A0A087XUQ5_POEFO Loading...

Glutamate--cysteine ligase

Catalyzes the ATP-dependent ligation of L-glutamate and L-cysteine and participates in the first and rate-limiting step in glutathione biosynthesis.

AlphaFold DB , UniProt , Accession A0A087XUQ5, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 630 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] 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
1M35.5Very low72.8Confident111 Ų11168.5 Ų68.555%0.54741%0.41SS..  01490-71.7-169.8-9100110.8E50 E103M1-E50 WeakPolarHBondContact CE-OE2 3.45Å; M1-E103 VanDerWaalsContact CE-CD 3.41Å; M1-E103 WeakPolarHBondContact CE-OE1 3.45Å; M1-E103 WeakPolarHBondContact CE-OE2 3.31Å
2G41.3Very low74.9Confident69 Ų6964.3 Ų64.371%0.71138%0.381SS*.  trans-64.8141.3173.900000110.4L4G2-L4 PolarHBondContact O-N 3.07Å
3L51.2Low76.6Confident118 Ų11868.2 Ų68.262%0.61839%0.393SS*.  trans-54.1137.2171.1-87.897.2000109S5L3-S5 PolarHBondContact O-N 3.2Å
4L67.4Low78.1Confident45 Ų4568.5 Ų68.524%0.23639%0.389CS..  trans-59.8115.1170.9-66.4-178.4000108.1G2 P95 H183 R185 F186G2-L4 PolarHBondContact O-N 3.07Å; L4-P95 HydrophobicContact CD1-CB 4.43Å; L4-P95 HydrophobicContact CD1-CG 3.5Å; L4-P95 VanDerWaalsContact CD1-CG 3.5Å; L4-P95 HydrophobicContact CG-CG 4.12Å; L4-H183 WeakPolarHBondContact CB-NE2 3.33Å; L4-H183 HydrophobicContact CD1-CB 4.21Å; L4-R185 VanDerWaalsContact CD2-CD 3.42Å; L4-F186 HydrophobicContact CD1-CE2 3.68Å; L4-F186 HydrophobicContact CD1-CZ 3.74Å
5S66.6Low79.3Confident52 Ų5263.9 Ų63.936%0.36436%0.363SS..  trans-67.2135.9172.847.10000109.3L3 H183 F384L3-S5 PolarHBondContact O-N 3.2Å; S5-H183 PolarHBondContact O-CE1 3.14Å; S5-H183 PolarHBondContact O-NE2 2.97Å; S5-F384 WeakPolarHBondContact O-CE2 3.44Å
6Q74.2Confident80.4Confident176 Ų17667.4 Ų67.482%0.82237%0.373SS*.  trans-79141.4168.2-66.1-174-2.900109
7G85.3Confident81.4Confident20 Ų2072.8 Ų72.821%0.20639%0.392CS..  trans-175.6180-179.300000111.5P9 E386G7-P9 WeakPolarHBondContact O-CD 3.47Å; G7-E386 WeakPolarHBondContact CA-OE2 3.48Å
8S92.8Very high82.3Confident55 Ų5573.7 Ų73.739%0.38539%0.39SS..  trans-93102-176.6-55.30000110F384 E385 E386S8-F384 WeakPolarHBondContact O-CA 3.29Å; S8-E385 PolarHBondContact O-N 2.93Å; S8-E386 VanDerWaalsContact CB-OE1 3.27Å; S8-E386 WeakPolarHBondContact CB-OE1 3.39Å; S8-E386 PolarHBondContact N-OE1 3.13Å; S8-E386 VanDerWaalsContact N-OE1 3.14Å; S8-E386 PolarHBondContact N-OE2 2.81Å; S8-E386 PolarHBondContact OG-OE1 3.28Å
9P93.9Very high83Confident40 Ų4070 Ų7026%0.2637%0.37SS..BIsolated β-bridgetrans-71.1134-176.427.8-34.9000113.1G7 P184 T188 F384G7-P9 WeakPolarHBondContact O-CD 3.47Å; P9-P184 HydrophobicContact CG-CB 3.83Å; P9-T188 HydrophobicContact CB-CG2 3.73Å; P9-T188 WeakPolarHBondContact CB-OG1 3.35Å; P9-T188 WeakPolarHBondContact CG-OG1 3.48Å; P9-F384 HydrophobicContact CB-CD1 3.99Å; P9-F384 HydrophobicContact CB-CE1 3.92Å
10L96.4Very high83.7Confident12 Ų1272.3 Ų72.36%0.06338%0.383CS..  trans-74.3139.8171.1-58.7-174000110.9E14 T15 Y18 T188 N192 V383 E385 I388L10-E14 HydrophobicContact CB-CB 3.91Å; L10-E14 HydrophobicContact CD1-CB 4.4Å; L10-E14 HydrophobicContact CD2-CB 4.24Å; L10-E14 HydrophobicContact CG-CB 4.41Å; L10-T15 WeakPolarHBondContact CB-OG1 3.23Å; L10-T15 PolarHBondContact O-OG1 3.18Å; L10-Y18 HydrophobicContact CD1-CD2 3.95Å; L10-Y18 HydrophobicContact CD1-CE2 4.31Å; L10-T188 WeakPolarHBondContact O-CG2 3.29Å; L10-N192 PolarHBondContact O-ND2 3.1Å; L10-N192 VanDerWaalsContact O-ND2 3.13Å; L10-V383 HydrophobicContact CD1-CB 4.17Å; L10-V383 HydrophobicContact CD1-CG1 3.96Å; L10-V383 PolarHBondContact N-O 2.72Å; L10-E385 HydrophobicContact CD2-CB 4.12Å; L10-I388 HydrophobicContact CD1-CD1 4.16Å; L10-I388 HydrophobicContact CD1-CG1 4.45Å
11N96.3Very high84.4Confident55 Ų5571 Ų7129%0.29438%0.375SS..  trans-71.6174.9165.967.352.1000110.7E13 E14 T15N11-E13 PolarHBondContact O-N 3.35Å; N11-E13 PolarHBondContact OD1-N 3.3Å; N11-E13 VanDerWaalsContact OD1-N 3.1Å; N11-E14 PolarHBondContact N-OE2 3.23Å; N11-E14 PolarHBondContact ND2-OE1 3.49Å; N11-E14 PolarHBondContact ND2-OE2 3.06Å; N11-E14 PolarHBondContact O-N 3.02Å; N11-E14 PolarHBondContact OD1-N 3.22Å; N11-T15 VanDerWaalsContact O-CB 3.31Å; N11-T15 WeakPolarHBondContact O-CB 3.48Å; N11-T15 PolarHBondContact O-N 2.78Å; N11-T15 PolarHBondContact O-OG1 2.66Å
12W97.5Very high87.4Confident19 Ų1965.8 Ų65.87%0.07235%0.349CS..Hα-helixtrans-61-44.8-176.4171.7-118.4000113.4E14 T15 K16 N192 H195 R196 D379 L381W12-E14 PolarHBondContact O-N 2.76Å; W12-T15 PolarHBondContact O-N 3.32Å; W12-K16 HydrophobicContact CD2-CB 4.47Å; W12-K16 HydrophobicContact CH2-CB 4.25Å; W12-K16 HydrophobicContact CH2-CG 4.39Å; W12-K16 HydrophobicContact CZ2-CB 4.15Å; W12-K16 HydrophobicContact CZ2-CD 3.92Å; W12-K16 HydrophobicContact CZ2-CG 4.14Å; W12-K16 HydrophobicContact CZ3-CB 4.46Å; W12-K16 VanDerWaalsContact O-CB 3.25Å; W12-K16 WeakPolarHBondContact O-CB 3.35Å; W12-K16 PolarHBondContact O-N 2.57Å; W12-N192 HydrophobicContact CB-CB 4.41Å; W12-N192 PolarHBondContact N-OD1 2.89Å; W12-H195 HydrophobicContact CB-CB 3.68Å; W12-H195 HydrophobicContact CG-CB 3.9Å; W12-R196 HydrophobicContact CD2-CB 3.93Å; W12-R196 HydrophobicContact CE3-CB 4.08Å; W12-R196 HydrophobicContact CH2-CB 3.97Å; W12-R196 HydrophobicContact CH2-CG 3.64Å; W12-R196 HydrophobicContact CZ2-CB 3.79Å; W12-R196 HydrophobicContact CZ2-CG 3.62Å; W12-R196 HydrophobicContact CZ3-CB 4.11Å; W12-R196 HydrophobicContact CZ3-CG 4.17Å; W12-D379 HydrophobicContact CH2-CB 3.96Å; W12-D379 HydrophobicContact CZ3-CB 4.16Å; W12-L381 HydrophobicContact CZ3-CD2 4.32Å
13E96.9Very high90.1Very high114 Ų11464 Ų6453%0.53332%0.32SS..Hα-helixtrans-65-30.8-178.4-65.7-56.3140.300112.3N11 K17N11-E13 PolarHBondContact O-N 3.35Å; N11-E13 PolarHBondContact OD1-N 3.3Å; N11-E13 VanDerWaalsContact OD1-N 3.1Å; E13-K17 WeakPolarHBondContact O-CE 3.23Å; E13-K17 WeakPolarHBondContact O-CG 3.21Å
14E97.5Very high92.3Very high73 Ų7364.4 Ų64.434%0.34132%0.318SS..Hα-helixtrans-76.1-48.2172.3-71.3158.8174.500111.6L10 N11 W12 K16 K17 Y18L10-E14 HydrophobicContact CB-CB 3.91Å; L10-E14 HydrophobicContact CD1-CB 4.4Å; L10-E14 HydrophobicContact CD2-CB 4.24Å; L10-E14 HydrophobicContact CG-CB 4.41Å; N11-E14 PolarHBondContact N-OE2 3.23Å; N11-E14 PolarHBondContact ND2-OE1 3.49Å; N11-E14 PolarHBondContact ND2-OE2 3.06Å; N11-E14 PolarHBondContact O-N 3.02Å; N11-E14 PolarHBondContact OD1-N 3.22Å; W12-E14 PolarHBondContact O-N 2.76Å; E14-K16 VanDerWaalsContact C-N 3.28Å; E14-K16 PolarHBondContact O-N 3.4Å; E14-K17 WeakPolarHBondContact O-CB 3.26Å; E14-K17 PolarHBondContact O-N 3.33Å; E14-K17 VanDerWaalsContact O-N 3.12Å; E14-Y18 WeakPolarHBondContact O-CD2 3.45Å
15T97.2Very high93.8Very high0 Ų064.3 Ų64.30%032%0.316CS..Hα-helixtrans-56.4-44.6179.4-61.40000111L10 N11 W12 K17 Y18 A19 P380 V383L10-T15 WeakPolarHBondContact CB-OG1 3.23Å; L10-T15 PolarHBondContact O-OG1 3.18Å; N11-T15 VanDerWaalsContact O-CB 3.31Å; N11-T15 WeakPolarHBondContact O-CB 3.48Å; N11-T15 PolarHBondContact O-N 2.78Å; N11-T15 PolarHBondContact O-OG1 2.66Å; W12-T15 PolarHBondContact O-N 3.32Å; T15-K17 PolarHBondContact O-N 3.41Å; T15-Y18 PolarHBondContact O-N 2.96Å; T15-A19 PolarHBondContact O-N 3.13Å; T15-P380 HydrophobicContact CG2-CG 4.3Å; T15-P380 WeakPolarHBondContact CG2-O 3.36Å; T15-V383 HydrophobicContact CG2-CB 4.48Å; T15-V383 HydrophobicContact CG2-CG2 3.84Å
16K96.6Very high95.3Very high119 Ų11961.8 Ų61.852%0.51730%0.298SS..Hα-helixtrans-57.8-34.3179.5-175.7178.7179.5-177.90112.9W12 E14 Y18 A19W12-K16 HydrophobicContact CD2-CB 4.47Å; W12-K16 HydrophobicContact CH2-CB 4.25Å; W12-K16 HydrophobicContact CH2-CG 4.39Å; W12-K16 HydrophobicContact CZ2-CB 4.15Å; W12-K16 HydrophobicContact CZ2-CD 3.92Å; W12-K16 HydrophobicContact CZ2-CG 4.14Å; W12-K16 HydrophobicContact CZ3-CB 4.46Å; W12-K16 VanDerWaalsContact O-CB 3.25Å; W12-K16 WeakPolarHBondContact O-CB 3.35Å; W12-K16 PolarHBondContact O-N 2.57Å; E14-K16 VanDerWaalsContact C-N 3.28Å; E14-K16 PolarHBondContact O-N 3.4Å; K16-Y18 PolarHBondContact O-N 3.31Å; K16-A19 WeakPolarHBondContact O-CB 3.49Å; K16-A19 PolarHBondContact O-N 2.88Å
17K97.3Very high96.4Very high160 Ų16053.4 Ų53.470%0.69626%0.259SS*.Hα-helixtrans-65.8-28.5178.5-66.2167.5-171.4171.40112.6E13 E14 T15E13-K17 WeakPolarHBondContact O-CE 3.23Å; E13-K17 WeakPolarHBondContact O-CG 3.21Å; E14-K17 WeakPolarHBondContact O-CB 3.26Å; E14-K17 PolarHBondContact O-N 3.33Å; E14-K17 VanDerWaalsContact O-N 3.12Å; T15-K17 PolarHBondContact O-N 3.41Å
18Y97.4Very high97.1Very high89 Ų8954.8 Ų54.835%0.34926%0.261SS..Hα-helixtrans-102.11.9-179.3-62.1-73.3000113.3L10 E14 T15 K16 D20 H21 I22 I388L10-Y18 HydrophobicContact CD1-CD2 3.95Å; L10-Y18 HydrophobicContact CD1-CE2 4.31Å; E14-Y18 WeakPolarHBondContact O-CD2 3.45Å; T15-Y18 PolarHBondContact O-N 2.96Å; K16-Y18 PolarHBondContact O-N 3.31Å; Y18-D20 PolarHBondContact O-N 3.05Å; Y18-H21 WeakPolarHBondContact O-CB 3.48Å; Y18-H21 PolarHBondContact O-N 3.39Å; Y18-H21 VanDerWaalsContact O-N 3.15Å; Y18-I22 WeakPolarHBondContact O-CG1 3.48Å; Y18-I22 PolarHBondContact O-N 2.98Å; Y18-I388 HydrophobicContact CD1-CG2 3.76Å; Y18-I388 HydrophobicContact CD2-CD1 4.12Å; Y18-I388 HydrophobicContact CE1-CD1 4.35Å; Y18-I388 HydrophobicContact CE1-CG2 3.88Å; Y18-I388 HydrophobicContact CE2-CD1 3.78Å; Y18-I388 HydrophobicContact CG-CG2 4.29Å
19A96.4Very high97.3Very high3 Ų352.1 Ų52.13%0.02524%0.243CC..Hα-helixtrans-57-46.2-17400000113.1T15 K16 I22 R23 P380T15-A19 PolarHBondContact O-N 3.13Å; K16-A19 WeakPolarHBondContact O-CB 3.49Å; K16-A19 PolarHBondContact O-N 2.88Å; A19-I22 PolarHBondContact O-N 3.43Å; A19-R23 PolarHBondContact O-N 3.22Å; A19-P380 HydrophobicContact CB-CG 4.09Å
20D96.7Very high97.5Very high116 Ų11650.2 Ų50.262%0.6223%0.23SC*.Hα-helixtrans-69.8-35.3178.5-68.3-27.9000112.7Y18 R23 K24Y18-D20 PolarHBondContact O-N 3.05Å; D20-R23 PolarHBondContact O-N 3.45Å; D20-R23 IonicContact OD1-CZ 3.09Å; D20-R23 IonicContact OD1-NE 3.92Å; D20-R23 PolarHBondContact OD1-NE 3.15Å; D20-R23 IonicContact OD1-NH2 2.7Å; D20-R23 PolarHBondContact OD1-NH2 3.04Å; D20-K24 VanDerWaalsContact O-CB 3.31Å; D20-K24 WeakPolarHBondContact O-CB 3.4Å; D20-K24 PolarHBondContact O-N 2.55Å
21H97.7Very high97.6Very high46 Ų4650.6 Ų50.621%0.21323%0.232CC..Hα-helixtrans-60.3-50.7173.4173.381.8000110.5Y18 R23 K24 H25 I388 H389 H398Y18-H21 WeakPolarHBondContact O-CB 3.48Å; Y18-H21 PolarHBondContact O-N 3.39Å; Y18-H21 VanDerWaalsContact O-N 3.15Å; H21-R23 PolarHBondContact O-N 3.46Å; H21-K24 PolarHBondContact O-N 2.85Å; H21-H25 AromaticContact CE1-CD2 3.14Å; H21-H25 PolarHBondContact CE1-CD2 3.28Å; H21-H25 AromaticContact CE1-CE1 3.98Å; H21-H25 AromaticContact CE1-CG 3.97Å; H21-H25 AromaticContact CE1-NE2 3.18Å; H21-H25 PolarHBondContact CE1-NE2 2.99Å; H21-H25 AromaticContact CG-CD2 3.93Å; H21-H25 AromaticContact ND1-CD2 3.31Å; H21-H25 PolarHBondContact ND1-CD2 3.49Å; H21-H25 VanDerWaalsContact ND1-CD2 3.31Å; H21-H25 AromaticContact ND1-NE2 3.48Å; H21-H25 PolarHBondContact ND1-NE2 3.35Å; H21-H25 AromaticContact NE2-CD2 3.7Å; H21-H25 WeakPolarHBondContact O-CB 3.46Å; H21-H25 PolarHBondContact O-CD2 2.98Å; H21-H25 VanDerWaalsContact O-CD2 3.25Å; H21-H25 PolarHBondContact O-N 3.31Å; H21-I388 PolarHBondContact CD2-O 2.93Å; H21-I388 PolarHBondContact NE2-O 3.07Å; H21-H389 AromaticContact CE1-ND1 3.91Å; H21-H389 AromaticContact NE2-ND1 3.9Å; H21-H398 AromaticContact NE2-CE1 3.96Å
22I97.9Very high97.7Very high0 Ų050 Ų500%023%0.229CC..Hα-helixtrans-63.5-41.9179.6-65.6161.8000111.2Y18 A19 G26 P380 V383 H398 N401Y18-I22 WeakPolarHBondContact O-CG1 3.48Å; Y18-I22 PolarHBondContact O-N 2.98Å; A19-I22 PolarHBondContact O-N 3.43Å; I22-G26 WeakPolarHBondContact O-CA 3.16Å; I22-G26 PolarHBondContact O-N 2.93Å; I22-P380 HydrophobicContact CB-CG 4.22Å; I22-P380 HydrophobicContact CD1-CB 4.18Å; I22-P380 HydrophobicContact CD1-CG 3.79Å; I22-P380 HydrophobicContact CG2-CB 4.12Å; I22-P380 HydrophobicContact CG2-CG 4.2Å; I22-V383 HydrophobicContact CD1-CB 4.24Å; I22-V383 HydrophobicContact CD1-CG1 3.82Å; I22-V383 HydrophobicContact CD1-CG2 3.4Å; I22-V383 VanDerWaalsContact CD1-CG2 3.4Å; I22-H398 HydrophobicContact CG2-CB 3.99Å; I22-N401 HydrophobicContact CG2-CB 4.3Å
23R98Very high97.7Very high31 Ų3149.7 Ų49.712%0.11723%0.229CC..Hα-helixtrans-58.3-51174-84.2-172.1-78.2-101.52.7111.4A19 D20 H21 G26 I27 F376 R378 D379 L402A19-R23 PolarHBondContact O-N 3.22Å; D20-R23 PolarHBondContact O-N 3.45Å; D20-R23 IonicContact OD1-CZ 3.09Å; D20-R23 IonicContact OD1-NE 3.92Å; D20-R23 PolarHBondContact OD1-NE 3.15Å; D20-R23 IonicContact OD1-NH2 2.7Å; D20-R23 PolarHBondContact OD1-NH2 3.04Å; H21-R23 PolarHBondContact O-N 3.46Å; R23-G26 PolarHBondContact O-N 2.99Å; R23-I27 WeakPolarHBondContact O-CG1 3.04Å; R23-I27 PolarHBondContact O-N 2.92Å; R23-I27 VanDerWaalsContact O-N 3.09Å; R23-F376 HydrophobicContact CB-CD1 4.16Å; R23-F376 WeakPolarHBondContact CD-O 3.15Å; R23-F376 HydrophobicContact CG-CD1 4.04Å; R23-F376 WeakPolarHBondContact O-CE1 3.4Å; R23-R378 PolarHBondContact NH1-O 3.15Å; R23-D379 IonicContact CZ-OD1 3.75Å; R23-D379 IonicContact NH1-OD1 3.18Å; R23-D379 PolarHBondContact NH1-OD1 3.06Å; R23-D379 IonicContact NH2-OD1 2.62Å; R23-D379 PolarHBondContact NH2-OD1 3.44Å; R23-L402 HydrophobicContact CG-CD1 3.78Å
24K98Very high97.7Very high128 Ų12845.4 Ų45.456%0.55721%0.208SC*.Hα-helixtrans-59.2-51.2-178.7-179.4-175.9175.5-172.40111.6D20 H21 I27 I28D20-K24 VanDerWaalsContact O-CB 3.31Å; D20-K24 WeakPolarHBondContact O-CB 3.4Å; D20-K24 PolarHBondContact O-N 2.55Å; H21-K24 PolarHBondContact O-N 2.85Å; K24-I27 PolarHBondContact O-N 3.12Å; K24-I28 HydrophobicContact CG-CD1 4.48Å; K24-I28 WeakPolarHBondContact O-CG1 3.27Å; K24-I28 PolarHBondContact O-N 3.4Å
25H98.4Very high97.6Very high42 Ų4245.3 Ų45.319%0.19421%0.21CC..Hα-helixtrans-69.5-35.4-178.4-79.2-90.1000112.2H21 I27 I28 Q29 D392 H398H21-H25 AromaticContact CE1-CD2 3.14Å; H21-H25 PolarHBondContact CE1-CD2 3.28Å; H21-H25 AromaticContact CE1-CE1 3.98Å; H21-H25 AromaticContact CE1-CG 3.97Å; H21-H25 AromaticContact CE1-NE2 3.18Å; H21-H25 PolarHBondContact CE1-NE2 2.99Å; H21-H25 AromaticContact CG-CD2 3.93Å; H21-H25 AromaticContact ND1-CD2 3.31Å; H21-H25 PolarHBondContact ND1-CD2 3.49Å; H21-H25 VanDerWaalsContact ND1-CD2 3.31Å; H21-H25 AromaticContact ND1-NE2 3.48Å; H21-H25 PolarHBondContact ND1-NE2 3.35Å; H21-H25 AromaticContact NE2-CD2 3.7Å; H21-H25 WeakPolarHBondContact O-CB 3.46Å; H21-H25 PolarHBondContact O-CD2 2.98Å; H21-H25 VanDerWaalsContact O-CD2 3.25Å; H21-H25 PolarHBondContact O-N 3.31Å; H25-I27 VanDerWaalsContact C-N 3.32Å; H25-I27 PolarHBondContact O-N 2.9Å; H25-I28 WeakPolarHBondContact O-CB 3.27Å; H25-I28 PolarHBondContact O-N 3.34Å; H25-I28 VanDerWaalsContact O-N 3.11Å; H25-Q29 WeakPolarHBondContact O-CG 3.36Å; H25-Q29 PolarHBondContact O-N 3.29Å; H25-D392 IonicContact CE1-OD2 3.39Å; H25-D392 PolarHBondContact CE1-OD2 3.16Å; H25-D392 IonicContact CG-OD1 3.68Å; H25-D392 IonicContact CG-OD2 2.83Å; H25-D392 IonicContact ND1-OD1 2.72Å; H25-D392 PolarHBondContact ND1-OD1 3.22Å; H25-D392 IonicContact ND1-OD2 2.82Å; H25-D392 PolarHBondContact ND1-OD2 2.95Å; H25-H398 WeakPolarHBondContact CB-ND1 3.4Å
26G98.3Very high97.5Very high0 Ų051 Ų510%023%0.234CC..Hα-helixtrans-60.9-36.9172.500000113.6I22 R23 Q29 F30I22-G26 WeakPolarHBondContact O-CA 3.16Å; I22-G26 PolarHBondContact O-N 2.93Å; R23-G26 PolarHBondContact O-N 2.99Å; G26-Q29 PolarHBondContact O-N 3.28Å; G26-F30 PolarHBondContact O-N 3.37Å
27I98.6Very high97.3Very high0 Ų046.7 Ų46.70%022%0.218CC..Hα-helixtrans-68.2-38.5173-66.3-59.6000111.6R23 K24 H25 F30 L31 I355 L359 I372 F376R23-I27 WeakPolarHBondContact O-CG1 3.04Å; R23-I27 PolarHBondContact O-N 2.92Å; R23-I27 VanDerWaalsContact O-N 3.09Å; K24-I27 PolarHBondContact O-N 3.12Å; H25-I27 VanDerWaalsContact C-N 3.32Å; H25-I27 PolarHBondContact O-N 2.9Å; I27-F30 PolarHBondContact O-N 3.22Å; I27-L31 HydrophobicContact CG2-CD1 4.14Å; I27-L31 HydrophobicContact CG2-CG 4.44Å; I27-L31 VanDerWaalsContact O-CG 3.3Å; I27-L31 WeakPolarHBondContact O-CG 3.48Å; I27-L31 PolarHBondContact O-N 3.08Å; I27-I355 HydrophobicContact CD1-CG2 3.48Å; I27-I355 VanDerWaalsContact CD1-CG2 3.48Å; I27-I355 HydrophobicContact CG1-CD1 4.19Å; I27-I355 HydrophobicContact CG1-CG1 4.31Å; I27-I355 HydrophobicContact CG1-CG2 3.79Å; I27-L359 HydrophobicContact CD1-CD2 4.48Å; I27-L359 HydrophobicContact CG2-CD2 4Å; I27-I372 HydrophobicContact CD1-CG2 3.65Å; I27-F376 HydrophobicContact CD1-CD1 3.59Å; I27-F376 HydrophobicContact CD1-CD2 4.05Å; I27-F376 HydrophobicContact CD1-CE1 3.6Å; I27-F376 HydrophobicContact CD1-CE2 4.05Å; I27-F376 HydrophobicContact CD1-CG 3.84Å; I27-F376 HydrophobicContact CD1-CZ 3.84Å; I27-F376 HydrophobicContact CG1-CD1 3.7Å; I27-F376 HydrophobicContact CG1-CE1 3.68Å; I27-F376 HydrophobicContact CG1-CG 4.4Å; I27-F376 HydrophobicContact CG1-CZ 4.35Å
28I98.5Very high97.1Very high48 Ų4842.1 Ų42.125%0.24620%0.198CC..Hα-helixtrans-62.6-46.5175.2-63168.5000110.3K24 H25 F30 L31 N32 D392K24-I28 HydrophobicContact CG-CD1 4.48Å; K24-I28 WeakPolarHBondContact O-CG1 3.27Å; K24-I28 PolarHBondContact O-N 3.4Å; H25-I28 WeakPolarHBondContact O-CB 3.27Å; H25-I28 PolarHBondContact O-N 3.34Å; H25-I28 VanDerWaalsContact O-N 3.11Å; I28-F30 VanDerWaalsContact C-N 3.34Å; I28-F30 PolarHBondContact O-N 3.3Å; I28-L31 PolarHBondContact O-N 2.04Å; I28-N32 PolarHBondContact O-N 2.06Å; I28-N32 PolarHBondContact O-ND2 2.87Å; I28-D392 HydrophobicContact CB-CB 4.4Å; I28-D392 HydrophobicContact CG2-CB 3.77Å
29Q98.4Very high96.9Very high0 Ų044.3 Ų44.30%022%0.216CC..Hα-helixtrans-56.7-46.8175.4-72.3168.88.300111.7H25 G26 L31 N32 I33 D392 E395 S396 F399H25-Q29 WeakPolarHBondContact O-CG 3.36Å; H25-Q29 PolarHBondContact O-N 3.29Å; G26-Q29 PolarHBondContact O-N 3.28Å; Q29-L31 PolarHBondContact O-N 2.76Å; Q29-N32 PolarHBondContact O-N 3.04Å; Q29-I33 VanDerWaalsContact O-CG1 3.3Å; Q29-I33 WeakPolarHBondContact O-CG1 3.14Å; Q29-I33 PolarHBondContact O-N 2.85Å; Q29-D392 HydrophobicContact CG-CB 3.86Å; Q29-D392 WeakPolarHBondContact CG-OD1 3.2Å; Q29-D392 PolarHBondContact NE2-OD1 3.13Å; Q29-E395 WeakPolarHBondContact CG-O 3.18Å; Q29-S396 VanDerWaalsContact OE1-CA 3.31Å; Q29-S396 PolarHBondContact OE1-O 3.36Å; Q29-F399 HydrophobicContact CB-CB 4.28Å
30F98.4Very high96.7Very high0 Ų047.2 Ų47.20%023%0.226CC..Hα-helixtrans-60-45.7175.7174-112.4000112.6G26 I27 I28 N32 I33 Y34 L359 I364 L368 I372 F399 P414G26-F30 PolarHBondContact O-N 3.37Å; I27-F30 PolarHBondContact O-N 3.22Å; I28-F30 VanDerWaalsContact C-N 3.34Å; I28-F30 PolarHBondContact O-N 3.3Å; F30-N32 VanDerWaalsContact C-N 3.31Å; F30-N32 PolarHBondContact O-N 2.85Å; F30-I33 PolarHBondContact O-N 3.14Å; F30-Y34 HydrophobicContact CZ-CD2 4.49Å; F30-Y34 VanDerWaalsContact O-CB 3.3Å; F30-Y34 WeakPolarHBondContact O-CB 3.33Å; F30-Y34 PolarHBondContact O-N 2.99Å; F30-L359 HydrophobicContact CD1-CD2 3.82Å; F30-L359 HydrophobicContact CE1-CD2 3.94Å; F30-I364 HydrophobicContact CD1-CD1 4.08Å; F30-I364 HydrophobicContact CE1-CD1 3.32Å; F30-I364 HydrophobicContact CZ-CD1 4.05Å; F30-L368 HydrophobicContact CZ-CD2 4.35Å; F30-L368 HydrophobicContact CZ-CG 4.4Å; F30-I372 HydrophobicContact CD1-CG1 4.38Å; F30-I372 HydrophobicContact CD1-CG2 4.15Å; F30-I372 HydrophobicContact CD2-CD1 4.49Å; F30-I372 HydrophobicContact CE1-CB 4.42Å; F30-I372 HydrophobicContact CE1-CD1 4.34Å; F30-I372 HydrophobicContact CE1-CG1 3.73Å; F30-I372 HydrophobicContact CE1-CG2 4.27Å; F30-I372 HydrophobicContact CE2-CD1 4.06Å; F30-I372 HydrophobicContact CE2-CG1 4.29Å; F30-I372 HydrophobicContact CZ-CD1 3.98Å; F30-I372 HydrophobicContact CZ-CG1 3.71Å; F30-F399 HydrophobicContact CB-CD2 3.61Å; F30-F399 HydrophobicContact CB-CE2 3.85Å; F30-F399 HydrophobicContact CB-CG 4.29Å; F30-F399 HydrophobicContact CD2-CD2 4.31Å; F30-F399 AromaticContact CD2-CE2 3.74Å; F30-F399 HydrophobicContact CD2-CE2 3.74Å; F30-F399 AromaticContact CD2-CZ 3.92Å; F30-F399 HydrophobicContact CD2-CZ 3.92Å; F30-F399 HydrophobicContact CG-CD2 4.22Å; F30-F399 AromaticContact CG-CE2 3.92Å; F30-F399 HydrophobicContact CG-CE2 3.92Å; F30-P414 HydrophobicContact CD2-CG 4.26Å; F30-P414 HydrophobicContact CE2-CG 4.13Å
31L98.4Very high96.3Very high19 Ų1946.3 Ų46.310%0.09922%0.218CC..Hα-helixtrans-61.9-39.3177.6-73.1173.9000112I27 I28 Q29 N35 L359 A362 I364I27-L31 HydrophobicContact CG2-CD1 4.14Å; I27-L31 HydrophobicContact CG2-CG 4.44Å; I27-L31 VanDerWaalsContact O-CG 3.3Å; I27-L31 WeakPolarHBondContact O-CG 3.48Å; I27-L31 PolarHBondContact O-N 3.08Å; I28-L31 PolarHBondContact O-N 2.04Å; Q29-L31 PolarHBondContact O-N 2.76Å; L31-N35 WeakPolarHBondContact O-CB 3.26Å; L31-N35 PolarHBondContact O-N 3.34Å; L31-N35 PolarHBondContact O-ND2 3.15Å; L31-L359 HydrophobicContact CD2-CD2 4.02Å; L31-L359 HydrophobicContact CG-CD2 4.35Å; L31-A362 HydrophobicContact CD1-CB 4.13Å; L31-A362 HydrophobicContact CD2-CB 3.54Å; L31-A362 HydrophobicContact CG-CB 4.49Å; L31-I364 HydrophobicContact CD2-CD1 3.59Å; L31-I364 HydrophobicContact CD2-CG1 4.19Å
32N97.8Very high95.5Very high43 Ų4355.1 Ų55.123%0.2325%0.25CC..Hα-helixtrans-64.3-46.1175.8-73.5-21.9000111.3I28 Q29 F30 K36 D392I28-N32 PolarHBondContact O-N 2.06Å; I28-N32 PolarHBondContact O-ND2 2.87Å; Q29-N32 PolarHBondContact O-N 3.04Å; F30-N32 VanDerWaalsContact C-N 3.31Å; F30-N32 PolarHBondContact O-N 2.85Å; N32-K36 WeakPolarHBondContact O-CB 3.24Å; N32-K36 VanDerWaalsContact O-CG 3.25Å; N32-K36 WeakPolarHBondContact O-CG 3.18Å; N32-K36 PolarHBondContact O-N 2.72Å; N32-K36 VanDerWaalsContact O-N 3.14Å; N32-D392 PolarHBondContact ND2-O 2.58Å
33I96.6Very high94.9Very high13 Ų1356.2 Ų56.27%0.06726%0.255CS..Hα-helixtrans-59.9-54175-66.4164.4000109.9Q29 F30 N35 K36 V37 P414 P415 P417Q29-I33 VanDerWaalsContact O-CG1 3.3Å; Q29-I33 WeakPolarHBondContact O-CG1 3.14Å; Q29-I33 PolarHBondContact O-N 2.85Å; F30-I33 PolarHBondContact O-N 3.14Å; I33-N35 PolarHBondContact O-N 2.86Å; I33-K36 PolarHBondContact O-N 2.95Å; I33-K36 VanDerWaalsContact O-N 3.13Å; I33-V37 HydrophobicContact CG2-CG2 4.21Å; I33-V37 WeakPolarHBondContact O-CG2 3.32Å; I33-V37 PolarHBondContact O-N 3.15Å; I33-V37 VanDerWaalsContact O-N 3.15Å; I33-P414 HydrophobicContact CG2-CB 4.06Å; I33-P415 WeakPolarHBondContact CG2-O 3.43Å; I33-P417 HydrophobicContact CD1-CG 4.13Å; I33-P417 HydrophobicContact CG1-CG 4.18Å
34Y96.9Very high94.4Very high24 Ų2459.4 Ų59.49%0.09428%0.278CS..Hα-helixtrans-55.3-50.6-178-179.9-95.2000111.2F30 K36 V37 K38 I260 I364 L368 W423F30-Y34 HydrophobicContact CZ-CD2 4.49Å; F30-Y34 VanDerWaalsContact O-CB 3.3Å; F30-Y34 WeakPolarHBondContact O-CB 3.33Å; F30-Y34 PolarHBondContact O-N 2.99Å; Y34-K36 VanDerWaalsContact C-N 3.29Å; Y34-K36 PolarHBondContact O-N 3.06Å; Y34-V37 PolarHBondContact O-N 3.43Å; Y34-K38 HydrophobicContact CD1-CB 4.24Å; Y34-K38 HydrophobicContact CD1-CD 3.89Å; Y34-K38 HydrophobicContact CD2-CB 4.3Å; Y34-K38 HydrophobicContact CE1-CB 3.97Å; Y34-K38 HydrophobicContact CE1-CD 3.47Å; Y34-K38 VanDerWaalsContact CE1-CD 3.47Å; Y34-K38 HydrophobicContact CE1-CG 4.35Å; Y34-K38 HydrophobicContact CE2-CB 4.03Å; Y34-K38 HydrophobicContact CG-CB 4.39Å; Y34-K38 WeakPolarHBondContact O-CA 3.49Å; Y34-K38 WeakPolarHBondContact O-CB 3.48Å; Y34-K38 WeakPolarHBondContact O-CG 3.25Å; Y34-K38 PolarHBondContact O-N 2.71Å; Y34-I260 HydrophobicContact CD2-CD1 4.11Å; Y34-I260 HydrophobicContact CE2-CD1 3.62Å; Y34-I364 HydrophobicContact CD1-CD1 4.06Å; Y34-I364 HydrophobicContact CD1-CG1 3.98Å; Y34-I364 HydrophobicContact CD2-CD1 4.46Å; Y34-I364 HydrophobicContact CE1-CD1 4.39Å; Y34-I364 HydrophobicContact CE1-CG1 3.86Å; Y34-I364 HydrophobicContact CG-CD1 4.11Å; Y34-I364 HydrophobicContact CG-CG1 4.46Å; Y34-L368 HydrophobicContact CD2-CD2 4.26Å; Y34-L368 HydrophobicContact CE2-CD2 3.84Å; Y34-W423 AromaticContact CD2-CH2 3.94Å; Y34-W423 HydrophobicContact CD2-CH2 3.94Å; Y34-W423 HydrophobicContact CD2-CZ2 4.19Å
35N96.1Very high93.9Very high71 Ų7155.3 Ų55.338%0.3826%0.262SS..Hα-helixtrans-65.3-30.3-179.3-76.4-46.6000113.7L31 I33 K38L31-N35 WeakPolarHBondContact O-CB 3.26Å; L31-N35 PolarHBondContact O-N 3.34Å; L31-N35 PolarHBondContact O-ND2 3.15Å; I33-N35 PolarHBondContact O-N 2.86Å; N35-K38 PolarHBondContact OD1-NZ 2.83Å
36K94.3Very high93.8Very high119 Ų11956.8 Ų56.852%0.51727%0.268SS..Hα-helixtrans-71.2-31175.7-75.3174.5179.6-176.80112.8N32 I33 Y34 E393N32-K36 WeakPolarHBondContact O-CB 3.24Å; N32-K36 VanDerWaalsContact O-CG 3.25Å; N32-K36 WeakPolarHBondContact O-CG 3.18Å; N32-K36 PolarHBondContact O-N 2.72Å; N32-K36 VanDerWaalsContact O-N 3.14Å; I33-K36 PolarHBondContact O-N 2.95Å; I33-K36 VanDerWaalsContact O-N 3.13Å; Y34-K36 VanDerWaalsContact C-N 3.29Å; Y34-K36 PolarHBondContact O-N 3.06Å; K36-E393 PolarHBondContact NZ-O 2.92Å
37V93.8Very high93.7Very high28 Ų2857.1 Ų57.117%0.1727%0.269CS..Hα-helixtrans-131.74.1-165.8-53.20000115.9I33 Y34 D39 R40 P415 W423I33-V37 HydrophobicContact CG2-CG2 4.21Å; I33-V37 WeakPolarHBondContact O-CG2 3.32Å; I33-V37 PolarHBondContact O-N 3.15Å; I33-V37 VanDerWaalsContact O-N 3.15Å; Y34-V37 PolarHBondContact O-N 3.43Å; V37-D39 VanDerWaalsContact C-N 3.28Å; V37-D39 PolarHBondContact O-N 3.25Å; V37-R40 WeakPolarHBondContact O-CB 3.37Å; V37-R40 PolarHBondContact O-N 2.93Å; V37-R40 VanDerWaalsContact O-N 3.14Å; V37-P415 HydrophobicContact CB-CG 4.35Å; V37-P415 HydrophobicContact CG2-CB 4.28Å; V37-P415 HydrophobicContact CG2-CG 3.65Å; V37-W423 HydrophobicContact CG2-CZ2 3.65Å; V37-W423 PolarHBondContact O-NE1 3.49Å
38K93.2Very high93.7Very high65 Ų6557.8 Ų57.828%0.28328%0.276SS..THydrogen-bonded Turntrans-60.7-34179.861.6-172.8-177.6-1710113.7Y34 N35 R40Y34-K38 HydrophobicContact CD1-CB 4.24Å; Y34-K38 HydrophobicContact CD1-CD 3.89Å; Y34-K38 HydrophobicContact CD2-CB 4.3Å; Y34-K38 HydrophobicContact CE1-CB 3.97Å; Y34-K38 HydrophobicContact CE1-CD 3.47Å; Y34-K38 VanDerWaalsContact CE1-CD 3.47Å; Y34-K38 HydrophobicContact CE1-CG 4.35Å; Y34-K38 HydrophobicContact CE2-CB 4.03Å; Y34-K38 HydrophobicContact CG-CB 4.39Å; Y34-K38 WeakPolarHBondContact O-CA 3.49Å; Y34-K38 WeakPolarHBondContact O-CB 3.48Å; Y34-K38 WeakPolarHBondContact O-CG 3.25Å; Y34-K38 PolarHBondContact O-N 2.71Å; N35-K38 PolarHBondContact OD1-NZ 2.83Å; K38-R40 VanDerWaalsContact C-N 3.28Å; K38-R40 PolarHBondContact O-N 2.76Å
39D92.9Very high93.7Very high135 Ų13555.6 Ų55.672%0.72227%0.265SS*.THydrogen-bonded Turntrans-88.54.9-179.5-57.4-51.3000112.6V37 Q41V37-D39 VanDerWaalsContact C-N 3.28Å; V37-D39 PolarHBondContact O-N 3.25Å; D39-Q41 PolarHBondContact O-N 3.37Å
40R90.9Very high93.7Very high64 Ų6456.3 Ų56.324%0.24227%0.269CS..  trans-68.3129.3178.2-171.3172.5176.8172.7-4.5110V37 K38 D43 D420 I421V37-R40 WeakPolarHBondContact O-CB 3.37Å; V37-R40 PolarHBondContact O-N 2.93Å; V37-R40 VanDerWaalsContact O-N 3.14Å; K38-R40 VanDerWaalsContact C-N 3.28Å; K38-R40 PolarHBondContact O-N 2.76Å; R40-D43 WeakPolarHBondContact CD-OD2 3.25Å; R40-D43 IonicContact CZ-OD1 3.85Å; R40-D43 VanDerWaalsContact CZ-OD1 3.23Å; R40-D43 IonicContact CZ-OD2 3.88Å; R40-D43 VanDerWaalsContact NE-CG 3.25Å; R40-D43 IonicContact NE-OD1 2.75Å; R40-D43 PolarHBondContact NE-OD1 3.33Å; R40-D43 IonicContact NE-OD2 3.5Å; R40-D43 PolarHBondContact NE-OD2 2.89Å; R40-D43 IonicContact NH2-OD1 2.92Å; R40-D43 PolarHBondContact NH2-OD1 3.02Å; R40-D43 IonicContact NH2-OD2 2.68Å; R40-D420 PolarHBondContact NH1-O 3.31Å; R40-D420 PolarHBondContact NH2-O 2.86Å; R40-I421 PolarHBondContact NH1-O 2.98Å; R40-I421 VanDerWaalsContact NH1-O 3.13Å
41Q88.3Confident93.7Very high97 Ų9756.4 Ų56.445%0.45327%0.269SS..  trans-138.8162.4-176.9-63.1-69.1-30.700109.4D39 D43 C258 S259D39-Q41 PolarHBondContact O-N 3.37Å; Q41-D43 PolarHBondContact O-N 3.3Å; Q41-C258 CarbonylContact C-O 3.5Å; Q41-C258 VanDerWaalsContact C-O 3.32Å; Q41-C258 WeakPolarHBondContact CA-O 3.45Å; Q41-S259 VanDerWaalsContact CD-CB 3.47Å
42R82.8Confident93.7Very high231 Ų23156 Ų5687%0.87227%0.266SS*.  trans64.226.6174.4-49.2177.3-179.6177.1-0.2114C258R42-C258 PolarHBondContact N-O 3.43Å
43D83.5Confident93.7Very high23 Ų2353.9 Ų53.912%0.12326%0.255CS..  trans-61.7140.3164-78.4-27.6000109.5R40 Q41 Q256 A257 C258 G422R40-D43 WeakPolarHBondContact CD-OD2 3.25Å; R40-D43 IonicContact CZ-OD1 3.85Å; R40-D43 VanDerWaalsContact CZ-OD1 3.23Å; R40-D43 IonicContact CZ-OD2 3.88Å; R40-D43 VanDerWaalsContact NE-CG 3.25Å; R40-D43 IonicContact NE-OD1 2.75Å; R40-D43 PolarHBondContact NE-OD1 3.33Å; R40-D43 IonicContact NE-OD2 3.5Å; R40-D43 PolarHBondContact NE-OD2 2.89Å; R40-D43 IonicContact NH2-OD1 2.92Å; R40-D43 PolarHBondContact NH2-OD1 3.02Å; R40-D43 IonicContact NH2-OD2 2.68Å; Q41-D43 PolarHBondContact O-N 3.3Å; D43-Q256 HydrophobicContact CB-CG 4.47Å; D43-A257 WeakPolarHBondContact CB-O 3.5Å; D43-C258 PolarHBondContact N-O 3.05Å; D43-C258 VanDerWaalsContact N-O 3.15Å; D43-C258 WeakPolarHBondContact O-CA 3.27Å; D43-C258 WeakPolarHBondContact O-CB 3.33Å; D43-G422 WeakPolarHBondContact OD2-CA 3.31Å
44V87.3Confident93.8Very high98 Ų9853.3 Ų53.359%0.59425%0.252SS*.  trans-79.1143.7177-179.20000108.7K46 Q256V44-K46 PolarHBondContact O-N 2.61Å; V44-Q256 PolarHBondContact O-NE2 3.08Å
45L89.5Confident93.9Very high42 Ų4252.1 Ų52.122%0.2225%0.248CC..  trans-56.3110.2169.217763000109.4G111 G112 F255 R451L45-G111 CarbonylContact O-C 3.56Å; L45-G112 PolarHBondContact O-N 3.21Å; L45-F255 HydrophobicContact CD1-CB 4.08Å; L45-R451 HydrophobicContact CD2-CG 4.34Å
46K94.8Very high94Very high72 Ų7248.8 Ų48.831%0.31323%0.23SC..  trans-117143.1167.1-74.4-178.1179.6-179.90107.4V44 P109 Y110 F255 Q256 D420V44-K46 PolarHBondContact O-N 2.61Å; K46-P109 HydrophobicContact CB-CB 4.04Å; K46-P109 HydrophobicContact CB-CG 4.33Å; K46-P109 HydrophobicContact CD-CG 3.94Å; K46-P109 HydrophobicContact CG-CG 4.39Å; K46-Y110 WeakPolarHBondContact CA-O 3.44Å; K46-F255 CarbonylContact O-C 3.54Å; K46-F255 WeakPolarHBondContact O-CA 3.38Å; K46-Q256 HydrophobicContact CB-CB 4.11Å; K46-Q256 WeakPolarHBondContact O-CB 3.35Å; K46-Q256 PolarHBondContact O-N 3.36Å; K46-D420 IonicContact NZ-OD2 3.42Å
47W96.8Very high94.2Very high7 Ų744 Ų443%0.02721%0.209CC..EExtended strand (participates in β ladder)trans-152.2163.6-179.859.2-77.3000111.6P109 Y110 G111 E116 F117 V120 V253 T254 F255 V443 V447W47-P109 CarbonylContact O-C 3.57Å; W47-P109 WeakPolarHBondContact O-CA 3.45Å; W47-Y110 AromaticContact CD2-CD2 3.84Å; W47-Y110 HydrophobicContact CD2-CD2 3.84Å; W47-Y110 HydrophobicContact CD2-CG 4.28Å; W47-Y110 AromaticContact CE3-CD2 3.48Å; W47-Y110 HydrophobicContact CE3-CD2 3.48Å; W47-Y110 VanDerWaalsContact CE3-CD2 3.48Å; W47-Y110 HydrophobicContact CE3-CE2 4.19Å; W47-Y110 HydrophobicContact CE3-CG 4.31Å; W47-Y110 AromaticContact CH2-CD2 3.86Å; W47-Y110 HydrophobicContact CH2-CD2 3.86Å; W47-Y110 HydrophobicContact CH2-CE2 4.39Å; W47-Y110 HydrophobicContact CH2-CG 4.21Å; W47-Y110 HydrophobicContact CZ2-CD2 4.14Å; W47-Y110 HydrophobicContact CZ2-CG 4.12Å; W47-Y110 AromaticContact CZ3-CD2 3.45Å; W47-Y110 HydrophobicContact CZ3-CD2 3.45Å; W47-Y110 VanDerWaalsContact CZ3-CD2 3.45Å; W47-Y110 AromaticContact CZ3-CE2 3.86Å; W47-Y110 HydrophobicContact CZ3-CE2 3.86Å; W47-Y110 HydrophobicContact CZ3-CG 4.24Å; W47-Y110 PolarHBondContact N-O 3.18Å; W47-Y110 VanDerWaalsContact N-O 3.17Å; W47-Y110 WeakPolarHBondContact O-CD2 3.38Å; W47-Y110 PolarHBondContact O-N 3.48Å; W47-G111 PolarHBondContact NE1-O 3.28Å; W47-E116 HydrophobicContact CZ2-CB 4.46Å; W47-F117 HydrophobicContact CH2-CD1 4.34Å; W47-F117 HydrophobicContact CH2-CE1 4.48Å; W47-F117 HydrophobicContact CZ2-CD1 4.22Å; W47-F117 HydrophobicContact CZ2-CE1 4.22Å; W47-V120 HydrophobicContact CH2-CG2 3.38Å; W47-V120 HydrophobicContact CZ2-CG2 4.35Å; W47-V120 HydrophobicContact CZ3-CG2 3.99Å; W47-V253 HydrophobicContact CE3-CG2 4.38Å; W47-T254 CarbonylContact C-O 3.59Å; W47-T254 WeakPolarHBondContact CA-O 3.37Å; W47-T254 WeakPolarHBondContact CB-O 3.31Å; W47-F255 HydrophobicContact CB-CB 3.96Å; W47-V443 HydrophobicContact CE3-CG1 4.13Å; W47-V443 HydrophobicContact CH2-CG1 4.26Å; W47-V443 HydrophobicContact CZ3-CG1 3.39Å; W47-V447 HydrophobicContact CD2-CG1 4.05Å; W47-V447 HydrophobicContact CD2-CG2 3.83Å; W47-V447 HydrophobicContact CE3-CG2 3.58Å; W47-V447 HydrophobicContact CG-CG1 4.37Å; W47-V447 HydrophobicContact CG-CG2 4.39Å; W47-V447 HydrophobicContact CH2-CG2 4.32Å; W47-V447 HydrophobicContact CZ2-CG1 4.14Å; W47-V447 HydrophobicContact CZ3-CG2 3.88Å
48G97.8Very high94.3Very high15 Ų1543.7 Ų43.716%0.15521%0.206CC..EExtended strand (participates in β ladder)trans-162.3147.8-179.600000110.7V253 T254G48-V253 WeakPolarHBondContact O-CA 3.4Å; G48-T254 PolarHBondContact N-O 2.97Å; G48-T254 PolarHBondContact O-N 2.98Å
49D98.4Very high94.4Very high1 Ų141.7 Ų41.71%0.00520%0.199CC..EExtended strand (participates in β ladder)trans-96.8155.4172.468.2-83.5000111.6V51 P106 Y110 M124 R127 Q252 V443D49-V51 WeakPolarHBondContact OD2-CG2 3.27Å; D49-P106 WeakPolarHBondContact O-CD 3.45Å; D49-Y110 WeakPolarHBondContact OD1-CE2 3.26Å; D49-Y110 PolarHBondContact OD1-OH 2.8Å; D49-M124 HydrophobicContact CB-CE 4.1Å; D49-M124 VanDerWaalsContact CG-CE 3.48Å; D49-M124 WeakPolarHBondContact OD2-CE 3.19Å; D49-R127 VanDerWaalsContact CG-NH2 3.32Å; D49-R127 IonicContact OD1-NH2 3.39Å; D49-R127 PolarHBondContact OD1-NH2 3.03Å; D49-R127 VanDerWaalsContact OD1-NH2 3.15Å; D49-R127 IonicContact OD2-CZ 2.56Å; D49-R127 IonicContact OD2-NH1 3.8Å; D49-R127 PolarHBondContact OD2-NH1 2.92Å; D49-R127 IonicContact OD2-NH2 3.17Å; D49-R127 PolarHBondContact OD2-NH2 2.73Å; D49-Q252 CarbonylContact C-O 3.53Å; D49-Q252 VanDerWaalsContact CA-O 3.26Å; D49-Q252 WeakPolarHBondContact CA-O 3.26Å; D49-V443 HydrophobicContact CB-CG1 4.16Å; D49-V443 HydrophobicContact CB-CG2 3.72Å
50E98.7Very high94.5Very high16 Ų1639.8 Ų39.88%0.07519%0.189CC..EExtended strand (participates in β ladder)trans-125.5123172.9-50.5-177.5162.500107M1 E103 T105 Q252M1-E50 WeakPolarHBondContact CE-OE2 3.45Å; E50-E103 HydrophobicContact CB-CG 4.42Å; E50-T105 HydrophobicContact CB-CG2 4.18Å; E50-T105 HydrophobicContact CG-CG2 3.79Å; E50-Q252 HydrophobicContact CB-CB 4.23Å; E50-Q252 PolarHBondContact N-O 2.77Å; E50-Q252 PolarHBondContact O-N 3.15Å
51V98.6Very high94.7Very high1 Ų144 Ų441%0.00622%0.216CC..EExtended strand (participates in β ladder)trans-119.2125.1-178.8-178.40000108.7D49 Y53 E103 G104 M124 T143 L251 V432D49-V51 WeakPolarHBondContact OD2-CG2 3.27Å; V51-Y53 HydrophobicContact CB-CE2 3.84Å; V51-Y53 HydrophobicContact CG1-CD2 4.34Å; V51-Y53 HydrophobicContact CG1-CE1 3.94Å; V51-Y53 HydrophobicContact CG1-CE2 3.71Å; V51-Y53 VanDerWaalsContact CG1-CZ 3.46Å; V51-Y53 VanDerWaalsContact O-CD2 3.29Å; V51-Y53 WeakPolarHBondContact O-CD2 3.41Å; V51-Y53 WeakPolarHBondContact O-CE2 3.24Å; V51-E103 WeakPolarHBondContact O-CA 3.38Å; V51-G104 PolarHBondContact N-O 3.35Å; V51-G104 PolarHBondContact O-N 3.21Å; V51-M124 HydrophobicContact CG2-CE 3.96Å; V51-M124 HydrophobicContact CG2-CG 4.48Å; V51-T143 HydrophobicContact CG1-CG2 3.94Å; V51-L251 HydrophobicContact CG2-CD1 3.76Å; V51-V432 HydrophobicContact CG1-CG2 3.94Å
52E98.8Very high95Very high10 Ų1043.8 Ų43.85%0.04722%0.218CC..EExtended strand (participates in β ladder)trans-97.1138.1177.5-64.8164.1-163.700110.6E96 M101 E103 C249 C250 Q252E52-E96 HydrophobicContact CG-CG 4.18Å; E52-M101 HydrophobicContact CB-CE 4.35Å; E52-E103 HydrophobicContact CG-CB 4.28Å; E52-E103 HydrophobicContact CG-CG 3.97Å; E52-C249 VanDerWaalsContact C-SG 3.53Å; E52-C249 HydrophobicContact CB-CB 3.67Å; E52-C249 WeakPolarHBondContact O-CB 3.41Å; E52-C249 PolarHBondContact O-SG 2.99Å; E52-C249 VanDerWaalsContact OE2-C 3.23Å; E52-C249 WeakPolarHBondContact OE2-CA 3.37Å; E52-C250 VanDerWaalsContact CD-SG 3.54Å; E52-C250 PolarHBondContact N-O 2.86Å; E52-C250 PolarHBondContact OE1-SG 2.8Å; E52-C250 PolarHBondContact OE2-N 3.23Å; E52-C250 PolarHBondContact OE2-SG 3.13Å; E52-Q252 PolarHBondContact OE1-NE2 2.86Å; E52-Q252 VanDerWaalsContact OE1-NE2 3.15Å
53Y98.6Very high95.6Very high0 Ų036.8 Ų36.80%020%0.195CC..EExtended strand (participates in β ladder)trans-125146.4-175.5-55.4-97.7000110.9V51 W93 M101 I102 L141 T143V51-Y53 HydrophobicContact CB-CE2 3.84Å; V51-Y53 HydrophobicContact CG1-CD2 4.34Å; V51-Y53 HydrophobicContact CG1-CE1 3.94Å; V51-Y53 HydrophobicContact CG1-CE2 3.71Å; V51-Y53 VanDerWaalsContact CG1-CZ 3.46Å; V51-Y53 VanDerWaalsContact O-CD2 3.29Å; V51-Y53 WeakPolarHBondContact O-CD2 3.41Å; V51-Y53 WeakPolarHBondContact O-CE2 3.24Å; Y53-W93 AromaticContact CD2-CZ3 3.94Å; Y53-W93 HydrophobicContact CD2-CZ3 3.94Å; Y53-W93 HydrophobicContact CE2-CH2 4.14Å; Y53-W93 AromaticContact CE2-CZ3 3.85Å; Y53-W93 HydrophobicContact CE2-CZ3 3.85Å; Y53-M101 VanDerWaalsContact O-CA 3.26Å; Y53-M101 WeakPolarHBondContact O-CA 3.48Å; Y53-I102 HydrophobicContact CD2-CG1 4.37Å; Y53-I102 PolarHBondContact N-O 2.7Å; Y53-I102 PolarHBondContact O-N 2.71Å; Y53-I102 VanDerWaalsContact O-N 3.15Å; Y53-L141 HydrophobicContact CD1-CB 4.5Å; Y53-L141 HydrophobicContact CD1-CD2 4.19Å; Y53-L141 HydrophobicContact CG-CD2 4.09Å; Y53-T143 HydrophobicContact CD1-CG2 3.28Å; Y53-T143 HydrophobicContact CE1-CG2 3.32Å; Y53-T143 HydrophobicContact CG-CG2 4.2Å
54M98.6Very high96.2Very high0 Ų038.6 Ų38.60%020%0.202CC..EExtended strand (participates in β ladder)trans-105134.8168.2-59.3-173.2-175.300110.8L67 Y100 C142 I144 T145 F147 G247 C249M54-L67 HydrophobicContact CB-CD2 4Å; M54-L67 HydrophobicContact CG-CD2 4.48Å; M54-L67 HydrophobicContact SD-CD2 4.07Å; M54-Y100 WeakPolarHBondContact CA-O 3.47Å; M54-Y100 HydrophobicContact CB-CD2 4.45Å; M54-Y100 HydrophobicContact CG-CD2 4.27Å; M54-Y100 HydrophobicContact CG-CE2 4.35Å; M54-Y100 HydrophobicContact SD-CE2 4.29Å; M54-C142 PolarHBondContact N-O 3.44Å; M54-C142 PolarHBondContact O-N 3.12Å; M54-I144 HydrophobicContact SD-CD1 4.24Å; M54-I144 HydrophobicContact SD-CG1 3.97Å; M54-T145 WeakPolarHBondContact CE-O 3.38Å; M54-F147 HydrophobicContact SD-CB 3.82Å; M54-G247 VanDerWaalsContact CE-O 3.25Å; M54-G247 WeakPolarHBondContact CE-O 3.31Å; M54-C249 HydrophobicContact CE-CB 4.41Å; M54-C249 VanDerWaalsContact CG-SG 3.54Å
55L98.4Very high96.7Very high0 Ų034.3 Ų34.30%018%0.176CC..EExtended strand (participates in β ladder)trans-85121.4170.8-58.5-179.1000109.6L67 V68 V74 Y100 I102 L135 L141L55-L67 WeakPolarHBondContact O-CA 3.25Å; L55-V68 HydrophobicContact CB-CB 4.31Å; L55-V68 PolarHBondContact O-N 3.16Å; L55-V74 HydrophobicContact CD1-CB 4.21Å; L55-V74 HydrophobicContact CD1-CG2 3.89Å; L55-Y100 PolarHBondContact N-O 2.83Å; L55-I102 HydrophobicContact CD2-CD1 4.46Å; L55-L135 HydrophobicContact CD2-CD1 4.27Å; L55-L135 HydrophobicContact CD2-CD2 3.94Å; L55-L141 HydrophobicContact CD2-CD2 3.77Å; L55-L141 HydrophobicContact CD2-CG 3.98Å
56V97.9Very high97.2Very high0 Ų033.5 Ų33.50%017%0.17CC..EExtended strand (participates in β ladder)trans-127.1146.3-179-57.60000111.8V65 R66 L67 M139 T140 C142V56-V65 HydrophobicContact CB-CG1 3.89Å; V56-V65 HydrophobicContact CG1-CG1 4.31Å; V56-V65 HydrophobicContact CG2-CG1 4.38Å; V56-R66 CarbonylContact C-O 3.59Å; V56-R66 WeakPolarHBondContact CA-O 3.45Å; V56-L67 HydrophobicContact CG1-CD2 3.89Å; V56-M139 CarbonylContact O-C 3.55Å; V56-M139 WeakPolarHBondContact O-CA 3.29Å; V56-T140 HydrophobicContact CG2-CG2 3.37Å; V56-T140 PolarHBondContact N-O 3.49Å; V56-T140 PolarHBondContact O-N 3.42Å; V56-C142 HydrophobicContact CG1-CB 4.47Å; V56-C142 HydrophobicContact CG2-CB 4.48Å; V56-C142 VanDerWaalsContact CG2-SG 3.51Å
57E97.8Very high97.3Very high18 Ų1830 Ų308%0.08416%0.155CC..EExtended strand (participates in β ladder)trans-101.6125.7167.1177.9-178.1-109.500108.6V65 R66 V68 N138 K157E57-V65 WeakPolarHBondContact O-CA 3.35Å; E57-R66 PolarHBondContact N-O 3.27Å; E57-R66 PolarHBondContact O-N 3.38Å; E57-R66 VanDerWaalsContact O-N 3.13Å; E57-R66 IonicContact OE2-NH1 3.07Å; E57-V68 HydrophobicContact CB-CG2 3.73Å; E57-N138 WeakPolarHBondContact CA-O 3.46Å; E57-N138 WeakPolarHBondContact CG-ND2 3.25Å; E57-N138 PolarHBondContact OE1-ND2 2.91Å; E57-K157 IonicContact OE1-NZ 3.81Å; E57-K157 PolarHBondContact OE1-NZ 3.34Å; E57-K157 WeakPolarHBondContact OE2-CD 3.41Å; E57-K157 WeakPolarHBondContact OE2-CG 3.38Å; E57-K157 IonicContact OE2-NZ 3.69Å; E57-K157 PolarHBondContact OE2-NZ 2.82Å
58L96.5Very high97.4Very high22 Ų2230.3 Ų30.312%0.11516%0.157CC..EExtended strand (participates in β ladder)trans-93.2106.2169.5-58.4178.1000108.3D60 V65 N138 T140 D609L58-D60 PolarHBondContact O-N 3.09Å; L58-V65 HydrophobicContact CD2-CB 4.38Å; L58-V65 HydrophobicContact CD2-CG1 4Å; L58-V65 HydrophobicContact CD2-CG2 3.48Å; L58-V65 VanDerWaalsContact CD2-CG2 3.48Å; L58-N138 PolarHBondContact N-O 2.92Å; L58-N138 VanDerWaalsContact N-O 3.09Å; L58-T140 HydrophobicContact CD1-CG2 4.3Å; L58-T140 HydrophobicContact CG-CG2 4.36Å; L58-D609 HydrophobicContact CD1-CB 4.26Å
59D95.5Very high97.4Very high23 Ų2330.2 Ų30.212%0.12315%0.153CC..EExtended strand (participates in β ladder)trans-9394.4178.1-167.8-18.9000109.8N61 D62 E63 K64 R66D59-N61 PolarHBondContact O-N 3.38Å; D59-N61 PolarHBondContact OD1-N 3.16Å; D59-N61 VanDerWaalsContact OD1-N 3.15Å; D59-D62 PolarHBondContact OD1-N 3.01Å; D59-E63 VanDerWaalsContact O-CA 3.28Å; D59-E63 WeakPolarHBondContact O-CA 3.39Å; D59-E63 PolarHBondContact O-N 3.01Å; D59-K64 HydrophobicContact CB-CB 4.41Å; D59-K64 WeakPolarHBondContact CB-O 3.11Å; D59-K64 PolarHBondContact N-O 2.89Å; D59-K64 PolarHBondContact O-N 3.44Å; D59-K64 VanDerWaalsContact O-N 3.12Å; D59-R66 IonicContact OD2-CZ 3.25Å; D59-R66 IonicContact OD2-NH1 3.89Å; D59-R66 PolarHBondContact OD2-NH1 2.77Å; D59-R66 IonicContact OD2-NH2 2.77Å
60D95.3Very high97.3Very high96 Ų9631.6 Ų31.651%0.51316%0.161SC..THydrogen-bonded Turntrans-67.4-18.2-179.6-66.7-43.2000113.5L58 Y602 K606L58-D60 PolarHBondContact O-N 3.09Å; D60-Y602 PolarHBondContact OD1-OH 2.98Å; D60-K606 IonicContact OD1-NZ 2.76Å; D60-K606 PolarHBondContact OD1-NZ 3.12Å
61N94.6Very high97.2Very high152 Ų15230.9 Ų30.981%0.81316%0.158SC*.THydrogen-bonded Turntrans-82.5-45.4-179.2-62.7-45.3000111.4D59D59-N61 PolarHBondContact O-N 3.38Å; D59-N61 PolarHBondContact OD1-N 3.16Å; D59-N61 VanDerWaalsContact OD1-N 3.15Å
62D94.5Very high97Very high93 Ų9332.1 Ų32.150%0.49717%0.171SC..THydrogen-bonded Turntrans-88.7-7.8179.1-73.6-17.7000112.7D59 K64 R66D59-D62 PolarHBondContact OD1-N 3.01Å; D62-K64 VanDerWaalsContact C-N 3.33Å; D62-K64 HydrophobicContact CB-CB 4.26Å; D62-K64 HydrophobicContact CB-CD 3.99Å; D62-K64 HydrophobicContact CB-CG 3.97Å; D62-K64 PolarHBondContact O-N 3.38Å; D62-R66 IonicContact OD2-NH2 3.05Å; D62-R66 PolarHBondContact OD2-NH2 2.97Å; D62-R66 VanDerWaalsContact OD2-NH2 3.11Å
63E96.6Very high96.9Very high83 Ų8334.9 Ų34.939%0.38819%0.186SC..THydrogen-bonded Turntrans52.950.2-170-56.1-169.5119.900111.7D59 K599 Y602D59-E63 VanDerWaalsContact O-CA 3.28Å; D59-E63 WeakPolarHBondContact O-CA 3.39Å; D59-E63 PolarHBondContact O-N 3.01Å; E63-K599 HydrophobicContact CB-CD 4.04Å; E63-K599 VanDerWaalsContact CD-NZ 3.27Å; E63-K599 IonicContact OE1-NZ 3.72Å; E63-K599 PolarHBondContact OE1-NZ 2.97Å; E63-K599 WeakPolarHBondContact OE2-CD 3.14Å; E63-K599 WeakPolarHBondContact OE2-CE 3.37Å; E63-K599 IonicContact OE2-NZ 2.76Å; E63-K599 PolarHBondContact OE2-NZ 3.39Å; E63-Y602 VanDerWaalsContact C-CG 3.43Å; E63-Y602 HydrophobicContact CB-CD1 3.87Å; E63-Y602 HydrophobicContact CB-CE1 4.08Å; E63-Y602 HydrophobicContact CB-CG 4.18Å; E63-Y602 HydrophobicContact CG-CD1 4.48Å; E63-Y602 HydrophobicContact CG-CE1 4.23Å; E63-Y602 WeakPolarHBondContact O-CB 3.42Å
64K96.4Very high96.8Very high62 Ų6235.2 Ų35.227%0.2719%0.188SC..EExtended strand (participates in β ladder)trans-126.2152.5-177.1-70.6-176.4-172.2-1370111.8D59 D62 D598D59-K64 HydrophobicContact CB-CB 4.41Å; D59-K64 WeakPolarHBondContact CB-O 3.11Å; D59-K64 PolarHBondContact N-O 2.89Å; D59-K64 PolarHBondContact O-N 3.44Å; D59-K64 VanDerWaalsContact O-N 3.12Å; D62-K64 VanDerWaalsContact C-N 3.33Å; D62-K64 HydrophobicContact CB-CB 4.26Å; D62-K64 HydrophobicContact CB-CD 3.99Å; D62-K64 HydrophobicContact CB-CG 3.97Å; D62-K64 PolarHBondContact O-N 3.38Å; K64-D598 VanDerWaalsContact CE-OD2 3.23Å; K64-D598 WeakPolarHBondContact CE-OD2 3.5Å; K64-D598 HydrophobicContact CG-CB 4.09Å; K64-D598 IonicContact NZ-OD2 2.85Å; K64-D598 PolarHBondContact NZ-OD2 3.06Å
65V97.8Very high96.7Very high7 Ų735.8 Ų35.84%0.04219%0.191CC..EExtended strand (participates in β ladder)trans-122.7131169.5-175.90000108.5V56 E57 L58 F147 Y602 L605V56-V65 HydrophobicContact CB-CG1 3.89Å; V56-V65 HydrophobicContact CG1-CG1 4.31Å; V56-V65 HydrophobicContact CG2-CG1 4.38Å; E57-V65 WeakPolarHBondContact O-CA 3.35Å; L58-V65 HydrophobicContact CD2-CB 4.38Å; L58-V65 HydrophobicContact CD2-CG1 4Å; L58-V65 HydrophobicContact CD2-CG2 3.48Å; L58-V65 VanDerWaalsContact CD2-CG2 3.48Å; V65-F147 HydrophobicContact CG1-CE2 4.05Å; V65-F147 HydrophobicContact CG1-CZ 4.49Å; V65-Y602 HydrophobicContact CG2-CD2 3.76Å; V65-Y602 HydrophobicContact CG2-CG 4.3Å; V65-L605 HydrophobicContact CB-CD1 4.03Å; V65-L605 HydrophobicContact CG1-CB 4.4Å; V65-L605 HydrophobicContact CG1-CD1 3.62Å; V65-L605 HydrophobicContact CG2-CB 4.19Å; V65-L605 HydrophobicContact CG2-CD1 4.45Å
66R98.2Very high96.5Very high25 Ų2541 Ų419%0.09422%0.215CC..EExtended strand (participates in β ladder)trans-129.1142.5-176.2-58.4-178.6-177.6111.9-4.7109.9V56 E57 D59 D62 G154 F155 K157V56-R66 CarbonylContact C-O 3.59Å; V56-R66 WeakPolarHBondContact CA-O 3.45Å; E57-R66 PolarHBondContact N-O 3.27Å; E57-R66 PolarHBondContact O-N 3.38Å; E57-R66 VanDerWaalsContact O-N 3.13Å; E57-R66 IonicContact OE2-NH1 3.07Å; D59-R66 IonicContact OD2-CZ 3.25Å; D59-R66 IonicContact OD2-NH1 3.89Å; D59-R66 PolarHBondContact OD2-NH1 2.77Å; D59-R66 IonicContact OD2-NH2 2.77Å; D62-R66 IonicContact OD2-NH2 3.05Å; D62-R66 PolarHBondContact OD2-NH2 2.97Å; D62-R66 VanDerWaalsContact OD2-NH2 3.11Å; R66-G154 WeakPolarHBondContact CG-O 3.25Å; R66-F155 CarbonylContact C-O 3.49Å; R66-F155 VanDerWaalsContact CA-O 3.31Å; R66-F155 WeakPolarHBondContact CA-O 3.4Å; R66-K157 HydrophobicContact CB-CB 4Å
67L98.6Very high96.5Very high0 Ų043.2 Ų43.20%023%0.228CC..EExtended strand (participates in β ladder)trans-75.4128172.8-70.6171000109.9M54 L55 V56 Y100 F147 L150 F155 T156 K157M54-L67 HydrophobicContact CB-CD2 4Å; M54-L67 HydrophobicContact CG-CD2 4.48Å; M54-L67 HydrophobicContact SD-CD2 4.07Å; L55-L67 WeakPolarHBondContact O-CA 3.25Å; V56-L67 HydrophobicContact CG1-CD2 3.89Å; L67-Y100 HydrophobicContact CB-CD1 3.97Å; L67-Y100 HydrophobicContact CB-CD2 4.36Å; L67-Y100 HydrophobicContact CB-CG 3.8Å; L67-Y100 HydrophobicContact CD1-CD1 3.94Å; L67-Y100 HydrophobicContact CD1-CD2 3.91Å; L67-Y100 HydrophobicContact CD1-CE1 3.81Å; L67-Y100 HydrophobicContact CD1-CE2 3.77Å; L67-Y100 HydrophobicContact CD1-CG 3.98Å; L67-Y100 HydrophobicContact CD2-CD2 3.71Å; L67-Y100 HydrophobicContact CD2-CE2 4.2Å; L67-Y100 HydrophobicContact CD2-CG 4.03Å; L67-Y100 HydrophobicContact CG-CD1 4.45Å; L67-Y100 HydrophobicContact CG-CD2 4.22Å; L67-Y100 HydrophobicContact CG-CG 4.17Å; L67-F147 HydrophobicContact CD1-CB 4.05Å; L67-F147 HydrophobicContact CD1-CD1 3.73Å; L67-F147 HydrophobicContact CD1-CD2 4.4Å; L67-F147 HydrophobicContact CD1-CE1 4.31Å; L67-F147 HydrophobicContact CD1-CG 3.81Å; L67-F147 HydrophobicContact CD2-CB 4.42Å; L67-F147 HydrophobicContact CD2-CD2 3.9Å; L67-F147 HydrophobicContact CD2-CE2 4.33Å; L67-F147 HydrophobicContact CD2-CG 4.08Å; L67-F147 HydrophobicContact CG-CD1 4.02Å; L67-F147 HydrophobicContact CG-CD2 4.05Å; L67-F147 HydrophobicContact CG-CE1 4.23Å; L67-F147 HydrophobicContact CG-CE2 4.22Å; L67-F147 HydrophobicContact CG-CG 3.96Å; L67-F147 HydrophobicContact CG-CZ 4.32Å; L67-L150 HydrophobicContact CD1-CD1 3.51Å; L67-F155 HydrophobicContact CD1-CD2 3.92Å; L67-F155 HydrophobicContact CD1-CE2 4Å; L67-F155 PolarHBondContact N-O 3Å; L67-T156 CarbonylContact O-C 3.53Å; L67-T156 WeakPolarHBondContact O-CA 3.37Å; L67-K157 PolarHBondContact O-N 2.94Å
68V98.2Very high96.4Very high12 Ų1242.3 Ų42.37%0.07322%0.224CC..EExtended strand (participates in β ladder)trans-92.7119.3-175.1-166.60000110.1L55 E57 N70 Y100 M139 K157L55-V68 HydrophobicContact CB-CB 4.31Å; L55-V68 PolarHBondContact O-N 3.16Å; E57-V68 HydrophobicContact CB-CG2 3.73Å; V68-N70 HydrophobicContact CG1-CB 4.27Å; V68-N70 WeakPolarHBondContact CG1-OD1 3.46Å; V68-N70 PolarHBondContact O-N 2.99Å; V68-Y100 WeakPolarHBondContact O-CA 3.35Å; V68-Y100 VanDerWaalsContact O-CB 3.25Å; V68-Y100 WeakPolarHBondContact O-CB 3.22Å; V68-M139 HydrophobicContact CB-CE 3.82Å; V68-M139 HydrophobicContact CG1-CE 3.67Å; V68-M139 HydrophobicContact CG1-SD 4.17Å; V68-M139 HydrophobicContact CG2-CE 3.92Å; V68-M139 HydrophobicContact CG2-CG 4.25Å; V68-M139 HydrophobicContact CG2-SD 4.45Å; V68-K157 HydrophobicContact CG2-CB 4.49Å
69L97.8Very high96.4Very high13 Ų1342.9 Ų42.97%0.06823%0.226CC..SBendtrans-84.237.6-170.5-49.9-170.6000113.3S99 Y100 T156 K157 Y160 E178 A179L69-S99 CarbonylContact C-O 3.53Å; L69-S99 WeakPolarHBondContact CB-OG 3.43Å; L69-S99 WeakPolarHBondContact CD2-OG 3.48Å; L69-Y100 HydrophobicContact CD2-CD1 3.79Å; L69-T156 HydrophobicContact CD1-CG2 4.1Å; L69-T156 HydrophobicContact CD2-CG2 3.9Å; L69-T156 HydrophobicContact CG-CG2 4.37Å; L69-K157 PolarHBondContact N-O 3.35Å; L69-Y160 HydrophobicContact CD1-CD2 3.6Å; L69-Y160 HydrophobicContact CD1-CE2 3.81Å; L69-E178 HydrophobicContact CD1-CB 4.07Å; L69-A179 HydrophobicContact CD2-CB 4.22Å
70N95.3Very high96.4Very high31 Ų3146.7 Ų46.717%0.16624%0.244CC..  trans-118.919.5-175.378.4-38.3000113.5V68 G72 D73 V74 S99 M139V68-N70 HydrophobicContact CG1-CB 4.27Å; V68-N70 WeakPolarHBondContact CG1-OD1 3.46Å; V68-N70 PolarHBondContact O-N 2.99Å; N70-G72 PolarHBondContact O-N 2.66Å; N70-D73 PolarHBondContact O-N 2.7Å; N70-V74 PolarHBondContact O-N 2.74Å; N70-V74 VanDerWaalsContact O-N 3.08Å; N70-S99 PolarHBondContact N-O 2.75Å; N70-M139 WeakPolarHBondContact OD1-CE 3.45Å
71G96.4Very high96.3Very high1 Ų147.6 Ų47.61%0.0124%0.244CC..Hα-helixtrans-55.2-34.4179.400000113.4V74 L75 S99G71-V74 PolarHBondContact O-N 3.38Å; G71-L75 WeakPolarHBondContact O-CB 3.33Å; G71-L75 PolarHBondContact O-N 2.7Å; G71-S99 VanDerWaalsContact CA-O 3.3Å; G71-S99 WeakPolarHBondContact CA-O 3.5Å; G71-S99 PolarHBondContact N-O 3.39Å
72G95.3Very high96.2Very high27 Ų2740.4 Ų40.428%0.27821%0.206SC..Hα-helixtrans-61.8-45173.900000113.4N70 L75 E76N70-G72 PolarHBondContact O-N 2.66Å; G72-L75 PolarHBondContact O-N 3.09Å; G72-E76 WeakPolarHBondContact O-CB 3.47Å; G72-E76 PolarHBondContact O-N 3.17Å
73D95.9Very high96Very high68 Ų6837.3 Ų37.336%0.36419%0.189SC..Hα-helixtrans-70.5-37.4-178.6-46.4-24.4000110.7N70 T77 R182N70-D73 PolarHBondContact O-N 2.7Å; D73-T77 PolarHBondContact O-N 3.42Å; D73-T77 PolarHBondContact O-OG1 3.07Å; D73-R182 IonicContact OD1-CZ 3.7Å; D73-R182 IonicContact OD1-NH1 2.7Å; D73-R182 PolarHBondContact OD1-NH1 3.18Å
74V96.9Very high95.8Very high7 Ų738.5 Ų38.54%0.04220%0.198CC..Hα-helixtrans-64.1-45.9173.6170.50000110.6L55 N70 G71 T77 L78 I102 V134 L135L55-V74 HydrophobicContact CD1-CB 4.21Å; L55-V74 HydrophobicContact CD1-CG2 3.89Å; N70-V74 PolarHBondContact O-N 2.74Å; N70-V74 VanDerWaalsContact O-N 3.08Å; G71-V74 PolarHBondContact O-N 3.38Å; V74-T77 PolarHBondContact O-N 3.27Å; V74-L78 HydrophobicContact CG1-CD1 3.77Å; V74-L78 HydrophobicContact CG1-CG 4.42Å; V74-L78 VanDerWaalsContact O-CG 3.31Å; V74-L78 WeakPolarHBondContact O-CG 3.42Å; V74-L78 PolarHBondContact O-N 3.46Å; V74-I102 HydrophobicContact CG1-CD1 4.23Å; V74-V134 HydrophobicContact CG1-CG2 3.92Å; V74-L135 HydrophobicContact CG1-CD2 4.17Å; V74-L135 HydrophobicContact CG2-CD2 3.85Å
75L96.3Very high95.6Very high12 Ų1240.8 Ų40.86%0.06322%0.217CC..Hα-helixtrans-61.8-45.6179.4177.566.9000112.1G71 G72 T77 L78 Q79 W93 P95 I102G71-L75 WeakPolarHBondContact O-CB 3.33Å; G71-L75 PolarHBondContact O-N 2.7Å; G72-L75 PolarHBondContact O-N 3.09Å; L75-T77 VanDerWaalsContact C-N 3.32Å; L75-T77 PolarHBondContact O-N 3.5Å; L75-L78 PolarHBondContact O-N 2.88Å; L75-Q79 HydrophobicContact CD1-CG 4.15Å; L75-Q79 HydrophobicContact CG-CG 4.42Å; L75-Q79 WeakPolarHBondContact O-CB 3.47Å; L75-Q79 WeakPolarHBondContact O-CG 3.46Å; L75-Q79 PolarHBondContact O-N 2.94Å; L75-W93 VanDerWaalsContact CD1-C 3.47Å; L75-W93 HydrophobicContact CD1-CB 3.47Å; L75-W93 VanDerWaalsContact CD1-CB 3.47Å; L75-P95 HydrophobicContact CD2-CB 3.58Å; L75-P95 HydrophobicContact CD2-CG 4.05Å; L75-I102 HydrophobicContact CB-CG2 4.45Å
76E95.7Very high95.3Very high109 Ų10943.7 Ų43.751%0.50923%0.233SC..Hα-helixtrans-56.2-48.7176.2-177.5174.2-156.900110.5G72 L78 Q79 E80G72-E76 WeakPolarHBondContact O-CB 3.47Å; G72-E76 PolarHBondContact O-N 3.17Å; E76-L78 VanDerWaalsContact C-N 3.34Å; E76-L78 PolarHBondContact O-N 2.94Å; E76-Q79 PolarHBondContact O-N 3.04Å; E76-E80 WeakPolarHBondContact O-CB 3.46Å; E76-E80 VanDerWaalsContact O-CG 3.31Å; E76-E80 WeakPolarHBondContact O-CG 3.35Å; E76-E80 PolarHBondContact O-N 3.24Å
77T96.9Very high94.8Very high46 Ų4647.4 Ų47.428%0.28226%0.26SS..Hα-helixtrans-59-44.4177.5-54.40000112D73 V74 L75 Q81 V134D73-T77 PolarHBondContact O-N 3.42Å; D73-T77 PolarHBondContact O-OG1 3.07Å; V74-T77 PolarHBondContact O-N 3.27Å; L75-T77 VanDerWaalsContact C-N 3.32Å; L75-T77 PolarHBondContact O-N 3.5Å; T77-Q81 WeakPolarHBondContact O-CB 3.35Å; T77-Q81 VanDerWaalsContact O-CG 3.31Å; T77-Q81 WeakPolarHBondContact O-CG 3.33Å; T77-Q81 PolarHBondContact O-N 3.16Å; T77-V134 HydrophobicContact CG2-CB 4.17Å; T77-V134 HydrophobicContact CG2-CG1 3.81Å
78L96.8Very high94.5Very high0 Ų053.2 Ų53.20%029%0.291CS..Hα-helixtrans-66.7-39.8179.6-71.2168000112.2V74 L75 E76 G82 W93 I102 E130 A131 V134V74-L78 HydrophobicContact CG1-CD1 3.77Å; V74-L78 HydrophobicContact CG1-CG 4.42Å; V74-L78 VanDerWaalsContact O-CG 3.31Å; V74-L78 WeakPolarHBondContact O-CG 3.42Å; V74-L78 PolarHBondContact O-N 3.46Å; L75-L78 PolarHBondContact O-N 2.88Å; E76-L78 VanDerWaalsContact C-N 3.34Å; E76-L78 PolarHBondContact O-N 2.94Å; L78-G82 WeakPolarHBondContact O-CA 3.33Å; L78-G82 PolarHBondContact O-N 3.13Å; L78-W93 HydrophobicContact CB-CB 4.34Å; L78-W93 HydrophobicContact CB-CG 3.93Å; L78-W93 HydrophobicContact CD1-CD2 3.78Å; L78-W93 HydrophobicContact CD1-CE3 4.19Å; L78-W93 HydrophobicContact CD1-CG 3.97Å; L78-W93 HydrophobicContact CD1-CZ2 4.43Å; L78-W93 HydrophobicContact CG-CG 4.49Å; L78-I102 HydrophobicContact CD1-CD1 4.01Å; L78-E130 HydrophobicContact CD2-CG 3.79Å; L78-A131 HydrophobicContact CD1-CB 4.14Å; L78-V134 HydrophobicContact CD1-CG2 4.46Å; L78-V134 HydrophobicContact CD2-CG1 4.23Å; L78-V134 HydrophobicContact CD2-CG2 3.91Å; L78-V134 HydrophobicContact CG-CG2 4.02Å
79Q95.4Very high94.4Very high33 Ų3354.2 Ų54.215%0.15430%0.295CS..Hα-helixtrans-69.7-40.8178-71.6175.4-15.400111.7L75 E76 G82 E83 N84 W93L75-Q79 HydrophobicContact CD1-CG 4.15Å; L75-Q79 HydrophobicContact CG-CG 4.42Å; L75-Q79 WeakPolarHBondContact O-CB 3.47Å; L75-Q79 WeakPolarHBondContact O-CG 3.46Å; L75-Q79 PolarHBondContact O-N 2.94Å; E76-Q79 PolarHBondContact O-N 3.04Å; Q79-G82 CarbonylContact O-C 3.58Å; Q79-G82 PolarHBondContact O-N 3.32Å; Q79-E83 PolarHBondContact O-N 2.72Å; Q79-N84 WeakPolarHBondContact O-CB 3.11Å; Q79-N84 VanDerWaalsContact O-CG 3.3Å; Q79-N84 PolarHBondContact O-N 3.46Å; Q79-N84 PolarHBondContact O-ND2 3.42Å; Q79-W93 PolarHBondContact NE2-O 2.9Å
80E95.1Very high94.2Very high104 Ų10456.3 Ų56.349%0.48631%0.309SS..Hα-helixtrans-60-48.5174.3-75.6-17816700112.2E76 G82 T85E76-E80 WeakPolarHBondContact O-CB 3.46Å; E76-E80 VanDerWaalsContact O-CG 3.31Å; E76-E80 WeakPolarHBondContact O-CG 3.35Å; E76-E80 PolarHBondContact O-N 3.24Å; E80-G82 VanDerWaalsContact C-N 3.28Å; E80-G82 PolarHBondContact O-N 2.55Å; E80-T85 PolarHBondContact O-OG1 2.73Å
81Q93.4Very high94.3Very high114 Ų11454.9 Ų54.953%0.53330%0.302SS..Hα-helixtrans-73.8-23.1178.9-66.6177.911.300112.7T77T77-Q81 WeakPolarHBondContact O-CB 3.35Å; T77-Q81 VanDerWaalsContact O-CG 3.31Å; T77-Q81 WeakPolarHBondContact O-CG 3.33Å; T77-Q81 PolarHBondContact O-N 3.16Å
82G93.2Very high94.3Very high1 Ų156.5 Ų56.51%0.0131%0.31CS..THydrogen-bonded Turntrans-101-113-175.300000113.6L78 Q79 E80 N84 T85 N86 H89L78-G82 WeakPolarHBondContact O-CA 3.33Å; L78-G82 PolarHBondContact O-N 3.13Å; Q79-G82 CarbonylContact O-C 3.58Å; Q79-G82 PolarHBondContact O-N 3.32Å; E80-G82 VanDerWaalsContact C-N 3.28Å; E80-G82 PolarHBondContact O-N 2.55Å; G82-N84 VanDerWaalsContact C-N 3.28Å; G82-N84 PolarHBondContact O-N 3.11Å; G82-T85 PolarHBondContact O-N 2.83Å; G82-T85 VanDerWaalsContact O-N 3.08Å; G82-N86 PolarHBondContact O-N 2.94Å; G82-H89 VanDerWaalsContact CA-CD2 3.44Å; G82-H89 WeakPolarHBondContact CA-CD2 3.37Å
83E90.6Very high94.4Very high28 Ų2855.2 Ų55.213%0.13130%0.297CS..THydrogen-bonded Turntrans-61.2-27.7-169.363.5-162.1-106.700115Q79 T85 N86 L92 W93 R94Q79-E83 PolarHBondContact O-N 2.72Å; E83-T85 VanDerWaalsContact C-N 3.32Å; E83-N86 WeakPolarHBondContact CA-O 3.37Å; E83-N86 CarbonylContact O-C 3.58Å; E83-L92 HydrophobicContact CB-CD2 3.73Å; E83-L92 HydrophobicContact CG-CD2 4.37Å; E83-L92 WeakPolarHBondContact OE2-CA 3.47Å; E83-L92 WeakPolarHBondContact OE2-CD2 3.27Å; E83-W93 PolarHBondContact OE2-N 2.83Å; E83-R94 IonicContact OE1-CZ 3.67Å; E83-R94 VanDerWaalsContact OE1-CZ 3.23Å; E83-R94 IonicContact OE1-NH1 3.77Å; E83-R94 PolarHBondContact OE1-NH1 2.88Å; E83-R94 IonicContact OE1-NH2 3.76Å; E83-R94 PolarHBondContact OE1-NH2 3.06Å; E83-R94 IonicContact OE2-CZ 2.68Å; E83-R94 IonicContact OE2-NH1 3.15Å; E83-R94 PolarHBondContact OE2-NH1 2.66Å; E83-R94 IonicContact OE2-NH2 2.75Å
84N91.3Very high94.4Very high108 Ų10853.3 Ų53.358%0.57828%0.284SS*.THydrogen-bonded Turntrans-72.4-27.6177.1-66.2-18000112.5Q79 G82Q79-N84 WeakPolarHBondContact O-CB 3.11Å; Q79-N84 VanDerWaalsContact O-CG 3.3Å; Q79-N84 PolarHBondContact O-N 3.46Å; Q79-N84 PolarHBondContact O-ND2 3.42Å; G82-N84 VanDerWaalsContact C-N 3.28Å; G82-N84 PolarHBondContact O-N 3.11Å
85T91.8Very high94.4Very high111 Ų11154.2 Ų54.268%0.68129%0.29SS*.THydrogen-bonded Turntrans-97-36.3178.8-640000111.8E80 G82 E83E80-T85 PolarHBondContact O-OG1 2.73Å; G82-T85 PolarHBondContact O-N 2.83Å; G82-T85 VanDerWaalsContact O-N 3.08Å; E83-T85 VanDerWaalsContact C-N 3.32Å
86N92.8Very high94.4Very high68 Ų6855.3 Ų55.336%0.36430%0.295SS..  trans-130104.1179.3177.711.3000110.1G82 E83 N88 H89G82-N86 PolarHBondContact O-N 2.94Å; E83-N86 WeakPolarHBondContact CA-O 3.37Å; E83-N86 CarbonylContact O-C 3.58Å; N86-N88 PolarHBondContact O-N 2.83Å; N86-N88 WeakPolarHBondContact OD1-CA 3.36Å; N86-N88 PolarHBondContact OD1-N 3.48Å; N86-H89 HydrophobicContact CB-CB 4.35Å; N86-H89 WeakPolarHBondContact O-CB 3.37Å; N86-H89 PolarHBondContact O-N 3.34Å
87P87.4Confident94.5Very high102 Ų10250.2 Ų50.266%0.66227%0.271SS*.THydrogen-bonded Turntrans-58.5-21176.9-26.635.3000114.4
88N91.8Very high94.6Very high123 Ų12348 Ų4866%0.65826%0.258SS*.THydrogen-bonded Turntrans-100.725175.5-61.3-45.8000112.1N86N86-N88 PolarHBondContact O-N 2.83Å; N86-N88 WeakPolarHBondContact OD1-CA 3.36Å; N86-N88 PolarHBondContact OD1-N 3.48Å
89H95.3Very high94.7Very high32 Ų3248.2 Ų48.215%0.14826%0.259CS..  trans-56.3136.4176.2-162.9-91.6000109.8G82 N86 T91 G107 E130G82-H89 VanDerWaalsContact CA-CD2 3.44Å; G82-H89 WeakPolarHBondContact CA-CD2 3.37Å; N86-H89 HydrophobicContact CB-CB 4.35Å; N86-H89 WeakPolarHBondContact O-CB 3.37Å; N86-H89 PolarHBondContact O-N 3.34Å; H89-T91 PolarHBondContact CE1-OG1 2.95Å; H89-T91 PolarHBondContact ND1-N 3.02Å; H89-T91 PolarHBondContact ND1-O 3.07Å; H89-T91 PolarHBondContact ND1-OG1 3.28Å; H89-T91 PolarHBondContact O-N 2.92Å; H89-T91 VanDerWaalsContact O-N 3.1Å; H89-G107 WeakPolarHBondContact O-CA 3.35Å; H89-E130 IonicContact CE1-OE1 2.83Å; H89-E130 PolarHBondContact CE1-OE1 3.02Å; H89-E130 IonicContact CE1-OE2 3.46Å; H89-E130 IonicContact ND1-OE1 3.19Å; H89-E130 IonicContact NE2-OE1 3.89Å
90P94.9Very high94.8Very high58 Ų5846.7 Ų46.738%0.37725%0.252SS..SBendtrans-69.6-5.6-173.627.5-37.5000115G107 N123P90-G107 VanDerWaalsContact C-CA 3.43Å; P90-G107 VanDerWaalsContact C-N 3.26Å; P90-G107 WeakPolarHBondContact O-CA 3.42Å; P90-G107 PolarHBondContact O-N 2.94Å; P90-N123 PolarHBondContact O-ND2 2.9Å
91T96.3Very high95Very high1 Ų141.8 Ų41.81%0.00623%0.229CC..EExtended strand (participates in β ladder)trans-142.6147.2-175.655.60000109H89 T105 K126 R127 E130H89-T91 PolarHBondContact CE1-OG1 2.95Å; H89-T91 PolarHBondContact ND1-N 3.02Å; H89-T91 PolarHBondContact ND1-O 3.07Å; H89-T91 PolarHBondContact ND1-OG1 3.28Å; H89-T91 PolarHBondContact O-N 2.92Å; H89-T91 VanDerWaalsContact O-N 3.1Å; T91-T105 WeakPolarHBondContact CA-O 3.26Å; T91-K126 HydrophobicContact CG2-CB 4.33Å; T91-R127 HydrophobicContact CG2-CB 4.34Å; T91-R127 HydrophobicContact CG2-CG 3.38Å; T91-E130 WeakPolarHBondContact CB-OE2 3.48Å; T91-E130 PolarHBondContact OG1-OE2 3.18Å
92L96.8Very high95.2Very high34 Ų3436.3 Ų36.318%0.17820%0.204CC..EExtended strand (participates in β ladder)trans-125.4150172.8-54.8173.5000109.4E83 G104 T105E83-L92 HydrophobicContact CB-CD2 3.73Å; E83-L92 HydrophobicContact CG-CD2 4.37Å; E83-L92 WeakPolarHBondContact OE2-CA 3.47Å; E83-L92 WeakPolarHBondContact OE2-CD2 3.27Å; L92-G104 WeakPolarHBondContact O-CA 3.31Å; L92-T105 PolarHBondContact N-O 3.14Å; L92-T105 PolarHBondContact O-N 3.35Å
93W97.1Very high95.5Very high1 Ų136.3 Ų36.30%0.00420%0.203CC..EExtended strand (participates in β ladder)trans-127.7132.9-176.6-64.797.8000112.2Y53 L75 L78 Q79 E83 I102 E103 R127 E130 A131Y53-W93 AromaticContact CD2-CZ3 3.94Å; Y53-W93 HydrophobicContact CD2-CZ3 3.94Å; Y53-W93 HydrophobicContact CE2-CH2 4.14Å; Y53-W93 AromaticContact CE2-CZ3 3.85Å; Y53-W93 HydrophobicContact CE2-CZ3 3.85Å; L75-W93 VanDerWaalsContact CD1-C 3.47Å; L75-W93 HydrophobicContact CD1-CB 3.47Å; L75-W93 VanDerWaalsContact CD1-CB 3.47Å; L78-W93 HydrophobicContact CB-CB 4.34Å; L78-W93 HydrophobicContact CB-CG 3.93Å; L78-W93 HydrophobicContact CD1-CD2 3.78Å; L78-W93 HydrophobicContact CD1-CE3 4.19Å; L78-W93 HydrophobicContact CD1-CG 3.97Å; L78-W93 HydrophobicContact CD1-CZ2 4.43Å; L78-W93 HydrophobicContact CG-CG 4.49Å; Q79-W93 PolarHBondContact NE2-O 2.9Å; E83-W93 PolarHBondContact OE2-N 2.83Å; W93-I102 HydrophobicContact CE3-CB 4.39Å; W93-I102 HydrophobicContact CE3-CD1 3.8Å; W93-I102 HydrophobicContact CE3-CG1 4.18Å; W93-I102 HydrophobicContact CH2-CD1 4.29Å; W93-I102 HydrophobicContact CZ3-CD1 3.54Å; W93-I102 HydrophobicContact CZ3-CG1 3.95Å; W93-E103 CarbonylContact C-O 3.57Å; W93-E103 VanDerWaalsContact CA-O 3.31Å; W93-E103 WeakPolarHBondContact CA-O 3.22Å; W93-R127 HydrophobicContact CH2-CB 3.81Å; W93-R127 HydrophobicContact CH2-CG 4.39Å; W93-R127 WeakPolarHBondContact CH2-O 3.24Å; W93-R127 HydrophobicContact CZ2-CB 3.78Å; W93-R127 HydrophobicContact CZ2-CG 4.12Å; W93-R127 WeakPolarHBondContact CZ2-O 3.01Å; W93-E130 PolarHBondContact NE1-OE2 3.38Å; W93-A131 HydrophobicContact CH2-CB 3.49Å; W93-A131 VanDerWaalsContact CH2-CB 3.49Å; W93-A131 HydrophobicContact CZ2-CB 3.74Å; W93-A131 HydrophobicContact CZ3-CB 4.19Å
94R96.1Very high95.8Very high27 Ų2735 Ų3510%0.10220%0.197CC..EExtended strand (participates in β ladder)trans-128150.7-177.5-61.3-64.7174.6-94.311.1111.1E83 E103E83-R94 IonicContact OE1-CZ 3.67Å; E83-R94 VanDerWaalsContact OE1-CZ 3.23Å; E83-R94 IonicContact OE1-NH1 3.77Å; E83-R94 PolarHBondContact OE1-NH1 2.88Å; E83-R94 IonicContact OE1-NH2 3.76Å; E83-R94 PolarHBondContact OE1-NH2 3.06Å; E83-R94 IonicContact OE2-CZ 2.68Å; E83-R94 IonicContact OE2-NH1 3.15Å; E83-R94 PolarHBondContact OE2-NH1 2.66Å; E83-R94 IonicContact OE2-NH2 2.75Å; R94-E103 HydrophobicContact CB-CB 4.44Å; R94-E103 PolarHBondContact N-O 3.15Å; R94-E103 PolarHBondContact O-N 3Å
95P96.4Very high96.1Very high26 Ų2630.7 Ų30.717%0.16918%0.175CC..EExtended strand (participates in β ladder)trans-75.4144.9174.730.8-31.6000110.6L4 L75 F186L4-P95 HydrophobicContact CD1-CB 4.43Å; L4-P95 HydrophobicContact CD1-CG 3.5Å; L4-P95 VanDerWaalsContact CD1-CG 3.5Å; L4-P95 HydrophobicContact CG-CG 4.12Å; L75-P95 HydrophobicContact CD2-CB 3.58Å; L75-P95 HydrophobicContact CD2-CG 4.05Å; P95-F186 HydrophobicContact CB-CE2 4.35Å
96E97.3Very high96.4Very high35 Ų3525.9 Ų25.916%0.16415%0.145CC..  trans-117.5173.5170-97.1-55.4144.200112.3E52 G98 M101 E103 N181E52-E96 HydrophobicContact CG-CG 4.18Å; E96-G98 PolarHBondContact O-N 2.9Å; E96-M101 HydrophobicContact CB-CB 3.7Å; E96-M101 HydrophobicContact CB-CE 3.99Å; E96-M101 HydrophobicContact CB-SD 4.43Å; E96-M101 HydrophobicContact CG-CE 4.29Å; E96-E103 HydrophobicContact CG-CB 4.03Å; E96-N181 WeakPolarHBondContact O-CB 3.34Å; E96-N181 PolarHBondContact O-ND2 3.07Å
97Y98.2Very high96.5Very high2 Ų222.8 Ų22.81%0.00813%0.13CC..SBendtrans-54.1-46-174.2172.7-84.9000113.8F175 I180 N181 F186 T190 M242 G243 M246Y97-F175 HydrophobicContact CE1-CE1 4.33Å; Y97-F175 HydrophobicContact CE1-CZ 4.21Å; Y97-I180 HydrophobicContact CE1-CG1 4.38Å; Y97-I180 HydrophobicContact CE2-CG2 4.07Å; Y97-I180 WeakPolarHBondContact OH-CG1 3.37Å; Y97-N181 VanDerWaalsContact O-CB 3.23Å; Y97-N181 WeakPolarHBondContact O-CB 3.46Å; Y97-N181 PolarHBondContact O-N 3.48Å; Y97-F186 HydrophobicContact CD2-CB 4.2Å; Y97-F186 HydrophobicContact CD2-CD1 4.13Å; Y97-T190 WeakPolarHBondContact CE2-OG1 3.45Å; Y97-T190 PolarHBondContact OH-OG1 3.47Å; Y97-M242 HydrophobicContact CD2-CE 3.5Å; Y97-M242 HydrophobicContact CD2-CG 4.2Å; Y97-M242 HydrophobicContact CD2-SD 4.06Å; Y97-M242 HydrophobicContact CE2-CB 4.14Å; Y97-M242 HydrophobicContact CE2-CE 3.62Å; Y97-M242 HydrophobicContact CE2-CG 3.56Å; Y97-M242 HydrophobicContact CE2-SD 3.5Å; Y97-M242 VanDerWaalsContact CE2-SD 3.5Å; Y97-G243 PolarHBondContact OH-N 3.42Å; Y97-M246 WeakPolarHBondContact CB-O 3.47Å; Y97-M246 HydrophobicContact CD1-CB 3.94Å; Y97-M246 HydrophobicContact CD2-CB 4Å; Y97-M246 HydrophobicContact CG-CB 3.62Å
98G98.3Very high96.8Very high0 Ų023.4 Ų23.40%012%0.124CC..BIsolated β-bridgetrans-72.4135.2179.500000111.1E96 Y100 M101 A179E96-G98 PolarHBondContact O-N 2.9Å; G98-Y100 PolarHBondContact O-N 2.82Å; G98-Y100 VanDerWaalsContact O-N 3.1Å; G98-M101 WeakPolarHBondContact O-CB 3.32Å; G98-M101 PolarHBondContact O-N 2.96Å; G98-A179 WeakPolarHBondContact CA-O 3.4Å
99S98.3Very high97Very high5 Ų520.6 Ų20.64%0.03511%0.112CC..THydrogen-bonded Turntrans-66.8-9.7172.8630000113.3L69 N70 G71 E178 A179L69-S99 CarbonylContact C-O 3.53Å; L69-S99 WeakPolarHBondContact CB-OG 3.43Å; L69-S99 WeakPolarHBondContact CD2-OG 3.48Å; N70-S99 PolarHBondContact N-O 2.75Å; G71-S99 VanDerWaalsContact CA-O 3.3Å; G71-S99 WeakPolarHBondContact CA-O 3.5Å; G71-S99 PolarHBondContact N-O 3.39Å; S99-E178 WeakPolarHBondContact CB-O 3.39Å; S99-E178 PolarHBondContact OG-O 2.85Å; S99-A179 PolarHBondContact N-O 3.17Å; S99-A179 VanDerWaalsContact OG-CA 3.3Å; S99-A179 WeakPolarHBondContact OG-CA 3.42Å; S99-A179 PolarHBondContact OG-O 3.33Å
100Y98.6Very high97Very high0 Ų019.7 Ų19.70%011%0.108CC..THydrogen-bonded Turntrans-98.65.5171.554.1-97.9000113.3M54 L55 L67 V68 L69 G98 L150 F175 A179 G247M54-Y100 WeakPolarHBondContact CA-O 3.47Å; M54-Y100 HydrophobicContact CB-CD2 4.45Å; M54-Y100 HydrophobicContact CG-CD2 4.27Å; M54-Y100 HydrophobicContact CG-CE2 4.35Å; M54-Y100 HydrophobicContact SD-CE2 4.29Å; L55-Y100 PolarHBondContact N-O 2.83Å; L67-Y100 HydrophobicContact CB-CD1 3.97Å; L67-Y100 HydrophobicContact CB-CD2 4.36Å; L67-Y100 HydrophobicContact CB-CG 3.8Å; L67-Y100 HydrophobicContact CD1-CD1 3.94Å; L67-Y100 HydrophobicContact CD1-CD2 3.91Å; L67-Y100 HydrophobicContact CD1-CE1 3.81Å; L67-Y100 HydrophobicContact CD1-CE2 3.77Å; L67-Y100 HydrophobicContact CD1-CG 3.98Å; L67-Y100 HydrophobicContact CD2-CD2 3.71Å; L67-Y100 HydrophobicContact CD2-CE2 4.2Å; L67-Y100 HydrophobicContact CD2-CG 4.03Å; L67-Y100 HydrophobicContact CG-CD1 4.45Å; L67-Y100 HydrophobicContact CG-CD2 4.22Å; L67-Y100 HydrophobicContact CG-CG 4.17Å; V68-Y100 WeakPolarHBondContact O-CA 3.35Å; V68-Y100 VanDerWaalsContact O-CB 3.25Å; V68-Y100 WeakPolarHBondContact O-CB 3.22Å; L69-Y100 HydrophobicContact CD2-CD1 3.79Å; G98-Y100 PolarHBondContact O-N 2.82Å; G98-Y100 VanDerWaalsContact O-N 3.1Å; Y100-L150 HydrophobicContact CE1-CD1 4.38Å; Y100-L150 WeakPolarHBondContact OH-CD1 3.35Å; Y100-F175 HydrophobicContact CE1-CZ 4.32Å; Y100-A179 HydrophobicContact CE1-CB 4.23Å; Y100-G247 WeakPolarHBondContact OH-CA 3.47Å; Y100-G247 PolarHBondContact OH-O 3.35Å
101M98.6Very high96.9Very high1 Ų118 Ų181%0.00510%0.101CC..EExtended strand (participates in β ladder)trans-108.6145.6-177.4-64.5172.869.600112.2E52 Y53 E96 G98 N248E52-M101 HydrophobicContact CB-CE 4.35Å; Y53-M101 VanDerWaalsContact O-CA 3.26Å; Y53-M101 WeakPolarHBondContact O-CA 3.48Å; E96-M101 HydrophobicContact CB-CB 3.7Å; E96-M101 HydrophobicContact CB-CE 3.99Å; E96-M101 HydrophobicContact CB-SD 4.43Å; E96-M101 HydrophobicContact CG-CE 4.29Å; G98-M101 WeakPolarHBondContact O-CB 3.32Å; G98-M101 PolarHBondContact O-N 2.96Å; M101-N248 VanDerWaalsContact CE-O 3.26Å; M101-N248 WeakPolarHBondContact CE-O 3.44Å
102I98.1Very high96.6Very high0 Ų019.1 Ų19.10%011%0.112CC..EExtended strand (participates in β ladder)trans-134.8149.6164.363.2175.2000108.6Y53 L55 V74 L75 L78 W93 A131 L141Y53-I102 HydrophobicContact CD2-CG1 4.37Å; Y53-I102 PolarHBondContact N-O 2.7Å; Y53-I102 PolarHBondContact O-N 2.71Å; Y53-I102 VanDerWaalsContact O-N 3.15Å; L55-I102 HydrophobicContact CD2-CD1 4.46Å; V74-I102 HydrophobicContact CG1-CD1 4.23Å; L75-I102 HydrophobicContact CB-CG2 4.45Å; L78-I102 HydrophobicContact CD1-CD1 4.01Å; W93-I102 HydrophobicContact CE3-CB 4.39Å; W93-I102 HydrophobicContact CE3-CD1 3.8Å; W93-I102 HydrophobicContact CE3-CG1 4.18Å; W93-I102 HydrophobicContact CH2-CD1 4.29Å; W93-I102 HydrophobicContact CZ3-CD1 3.54Å; W93-I102 HydrophobicContact CZ3-CG1 3.95Å; I102-A131 HydrophobicContact CD1-CB 3.98Å; I102-L141 HydrophobicContact CD1-CD2 3.66Å; I102-L141 HydrophobicContact CG1-CD2 4.17Å
103E98.6Very high96.3Very high1 Ų121.3 Ų21.31%0.00513%0.127CC..EExtended strand (participates in β ladder)trans-116.3134.3175-174.2-163.579.500109.9M1 E50 V51 E52 W93 R94 E96M1-E103 VanDerWaalsContact CE-CD 3.41Å; M1-E103 WeakPolarHBondContact CE-OE1 3.45Å; M1-E103 WeakPolarHBondContact CE-OE2 3.31Å; E50-E103 HydrophobicContact CB-CG 4.42Å; V51-E103 WeakPolarHBondContact O-CA 3.38Å; E52-E103 HydrophobicContact CG-CB 4.28Å; E52-E103 HydrophobicContact CG-CG 3.97Å; W93-E103 CarbonylContact C-O 3.57Å; W93-E103 VanDerWaalsContact CA-O 3.31Å; W93-E103 WeakPolarHBondContact CA-O 3.22Å; R94-E103 HydrophobicContact CB-CB 4.44Å; R94-E103 PolarHBondContact N-O 3.15Å; R94-E103 PolarHBondContact O-N 3Å; E96-E103 HydrophobicContact CG-CB 4.03Å
104G97.9Very high96.1Very high0 Ų022 Ų220%013%0.131CC..EExtended strand (participates in β ladder)trans-116137.7177.400000112.1V51 L92 R127V51-G104 PolarHBondContact N-O 3.35Å; V51-G104 PolarHBondContact O-N 3.21Å; L92-G104 WeakPolarHBondContact O-CA 3.31Å; G104-R127 PolarHBondContact O-NH1 3.3Å
105T98.2Very high95.9Very high18 Ų1823.5 Ų23.511%0.1115%0.145CC..EExtended strand (participates in β ladder)trans-126.4162.9173.478.20000110.3E50 T91 L92E50-T105 HydrophobicContact CB-CG2 4.18Å; E50-T105 HydrophobicContact CG-CG2 3.79Å; T91-T105 WeakPolarHBondContact CA-O 3.26Å; L92-T105 PolarHBondContact N-O 3.14Å; L92-T105 PolarHBondContact O-N 3.35Å
106P97.4Very high95.7Very high9 Ų924.7 Ų24.76%0.05815%0.149CC..EExtended strand (participates in β ladder)trans-61.3148.9167.329.1-36.5000110.6D49 Q108 Y110 N123D49-P106 WeakPolarHBondContact O-CD 3.45Å; P106-Q108 WeakPolarHBondContact CB-O 3.25Å; P106-Q108 PolarHBondContact O-N 3.26Å; P106-Y110 HydrophobicContact CB-CE1 4.33Å; P106-Y110 HydrophobicContact CB-CE2 4.23Å; P106-Y110 HydrophobicContact CG-CD2 4.43Å; P106-Y110 HydrophobicContact CG-CE2 3.8Å; P106-N123 WeakPolarHBondContact CA-OD1 3.28Å
107G95Very high95.6Very high4 Ų423.1 Ų23.14%0.04114%0.141CC..SBendtrans-54.7-37.1177.700000114.3H89 P90H89-G107 WeakPolarHBondContact O-CA 3.35Å; P90-G107 VanDerWaalsContact C-CA 3.43Å; P90-G107 VanDerWaalsContact C-N 3.26Å; P90-G107 WeakPolarHBondContact O-CA 3.42Å; P90-G107 PolarHBondContact O-N 2.94Å
108Q94Very high95.4Very high115 Ų11525.7 Ų25.754%0.53716%0.155SC..SBendtrans-139.5150.5179.5-64.4-61.5-43.600107.5P106P106-Q108 WeakPolarHBondContact CB-O 3.25Å; P106-Q108 PolarHBondContact O-N 3.26Å
109P95.4Very high95.2Very high63 Ų6328.4 Ų28.441%0.40917%0.172SC..  trans-62.2143.217428-34.6000110.6K46 W47K46-P109 HydrophobicContact CB-CB 4.04Å; K46-P109 HydrophobicContact CB-CG 4.33Å; K46-P109 HydrophobicContact CD-CG 3.94Å; K46-P109 HydrophobicContact CG-CG 4.39Å; W47-P109 CarbonylContact O-C 3.57Å; W47-P109 WeakPolarHBondContact O-CA 3.45Å
110Y96.3Very high95.2Very high13 Ų1328.2 Ų28.25%0.05117%0.17CC..BIsolated β-bridgetrans-62.4148.9170.4-55.6-68000110.9K46 W47 D49 P106 T119 N123K46-Y110 WeakPolarHBondContact CA-O 3.44Å; W47-Y110 AromaticContact CD2-CD2 3.84Å; W47-Y110 HydrophobicContact CD2-CD2 3.84Å; W47-Y110 HydrophobicContact CD2-CG 4.28Å; W47-Y110 AromaticContact CE3-CD2 3.48Å; W47-Y110 HydrophobicContact CE3-CD2 3.48Å; W47-Y110 VanDerWaalsContact CE3-CD2 3.48Å; W47-Y110 HydrophobicContact CE3-CE2 4.19Å; W47-Y110 HydrophobicContact CE3-CG 4.31Å; W47-Y110 AromaticContact CH2-CD2 3.86Å; W47-Y110 HydrophobicContact CH2-CD2 3.86Å; W47-Y110 HydrophobicContact CH2-CE2 4.39Å; W47-Y110 HydrophobicContact CH2-CG 4.21Å; W47-Y110 HydrophobicContact CZ2-CD2 4.14Å; W47-Y110 HydrophobicContact CZ2-CG 4.12Å; W47-Y110 AromaticContact CZ3-CD2 3.45Å; W47-Y110 HydrophobicContact CZ3-CD2 3.45Å; W47-Y110 VanDerWaalsContact CZ3-CD2 3.45Å; W47-Y110 AromaticContact CZ3-CE2 3.86Å; W47-Y110 HydrophobicContact CZ3-CE2 3.86Å; W47-Y110 HydrophobicContact CZ3-CG 4.24Å; W47-Y110 PolarHBondContact N-O 3.18Å; W47-Y110 VanDerWaalsContact N-O 3.17Å; W47-Y110 WeakPolarHBondContact O-CD2 3.38Å; W47-Y110 PolarHBondContact O-N 3.48Å; D49-Y110 WeakPolarHBondContact OD1-CE2 3.26Å; D49-Y110 PolarHBondContact OD1-OH 2.8Å; P106-Y110 HydrophobicContact CB-CE1 4.33Å; P106-Y110 HydrophobicContact CB-CE2 4.23Å; P106-Y110 HydrophobicContact CG-CD2 4.43Å; P106-Y110 HydrophobicContact CG-CE2 3.8Å; Y110-T119 WeakPolarHBondContact CD1-OG1 3.47Å; Y110-T119 WeakPolarHBondContact CE1-OG1 3.44Å; Y110-N123 HydrophobicContact CE1-CB 4.47Å; Y110-N123 WeakPolarHBondContact OH-CB 3.43Å
111G92.8Very high95.1Very high23 Ų2329.6 Ų29.624%0.23718%0.177CC..  trans-79.1-179.817500000114.5L45 W47L45-G111 CarbonylContact O-C 3.56Å; W47-G111 PolarHBondContact NE1-O 3.28Å
112G88.8Confident95.1Very high24 Ų2431 Ų3125%0.24719%0.192CC..SBendtrans-87.8-4.9-179.500000115.6L45 R451L45-G112 PolarHBondContact O-N 3.21Å; G112-R451 PolarHBondContact O-NH1 3.36Å
113T91.6Very high95.1Very high80 Ų8031.9 Ų31.949%0.49120%0.197SC..SBendtrans-74.7155.1-178.763.70000111.2S115 E116T113-S115 VanDerWaalsContact C-N 3.26Å; T113-S115 PolarHBondContact O-N 3.34Å; T113-S115 PolarHBondContact OG1-OG 3.07Å; T113-E116 PolarHBondContact O-N 3.15Å
114M91.5Very high95.1Very high16 Ų1631.8 Ų31.88%0.07920%0.196CC..G310 helixtrans-64.4-32.3178.5-70.9-70.8-16100112.3E116 F117 R451 Y544 L545 M548 V550 T554M114-E116 PolarHBondContact O-N 2.78Å; M114-E116 VanDerWaalsContact O-N 3.11Å; M114-F117 WeakPolarHBondContact O-CB 3.4Å; M114-F117 WeakPolarHBondContact O-CD2 3.44Å; M114-F117 PolarHBondContact O-N 3.09Å; M114-F117 VanDerWaalsContact O-N 3.08Å; M114-F117 HydrophobicContact SD-CD2 3.98Å; M114-F117 HydrophobicContact SD-CE2 3.58Å; M114-F117 VanDerWaalsContact SD-CE2 3.58Å; M114-R451 VanDerWaalsContact SD-CZ 3.53Å; M114-R451 PolarHBondContact SD-NH1 3Å; M114-R451 VanDerWaalsContact SD-NH1 3.37Å; M114-Y544 HydrophobicContact CE-CD1 4.38Å; M114-Y544 HydrophobicContact CE-CE1 3.56Å; M114-L545 HydrophobicContact CE-CD2 4.44Å; M114-M548 HydrophobicContact CE-CB 3.85Å; M114-M548 HydrophobicContact CE-CG 3.6Å; M114-M548 HydrophobicContact CE-SD 3.42Å; M114-M548 WeakPolarHBondContact CE-SD 3.33Å; M114-V550 HydrophobicContact CB-CG1 4.31Å; M114-V550 HydrophobicContact CB-CG2 4.39Å; M114-V550 HydrophobicContact CE-CG2 4.21Å; M114-V550 HydrophobicContact CG-CG2 4.01Å; M114-V550 HydrophobicContact SD-CG2 4.32Å; M114-T554 HydrophobicContact CB-CG2 4.27Å; M114-T554 WeakPolarHBondContact O-CG2 3.3Å
115S92.4Very high95Very high58 Ų5836.1 Ų36.141%0.40621%0.213SC..G310 helixtrans-59.5-24179.757.90000113.9T113 F117 N118T113-S115 VanDerWaalsContact C-N 3.26Å; T113-S115 PolarHBondContact O-N 3.34Å; T113-S115 PolarHBondContact OG1-OG 3.07Å; S115-F117 PolarHBondContact O-N 3.37Å; S115-N118 PolarHBondContact O-N 3.34Å; S115-N118 VanDerWaalsContact O-N 3.16Å
116E93.3Very high95Very high51 Ų5140.9 Ų40.924%0.23823%0.232CC..G310 helixtrans-63.3-24.5177.2-67.3-70179.200112.6W47 T113 M114 N118 T119W47-E116 HydrophobicContact CZ2-CB 4.46Å; T113-E116 PolarHBondContact O-N 3.15Å; M114-E116 PolarHBondContact O-N 2.78Å; M114-E116 VanDerWaalsContact O-N 3.11Å; E116-N118 PolarHBondContact O-N 2.75Å; E116-N118 VanDerWaalsContact O-N 3.15Å; E116-T119 PolarHBondContact O-N 3.36Å; E116-T119 PolarHBondContact O-OG1 3.1Å; E116-T119 PolarHBondContact OE2-OG1 2.83Å
117F94.1Very high95Very high2 Ų240.5 Ų40.51%0.00923%0.229CC..G310 helixtrans-62.1-23175.4-68.9-61000113.3W47 M114 S115 T119 V444 V447 L448 T554 I558W47-F117 HydrophobicContact CH2-CD1 4.34Å; W47-F117 HydrophobicContact CH2-CE1 4.48Å; W47-F117 HydrophobicContact CZ2-CD1 4.22Å; W47-F117 HydrophobicContact CZ2-CE1 4.22Å; M114-F117 WeakPolarHBondContact O-CB 3.4Å; M114-F117 WeakPolarHBondContact O-CD2 3.44Å; M114-F117 PolarHBondContact O-N 3.09Å; M114-F117 VanDerWaalsContact O-N 3.08Å; M114-F117 HydrophobicContact SD-CD2 3.98Å; M114-F117 HydrophobicContact SD-CE2 3.58Å; M114-F117 VanDerWaalsContact SD-CE2 3.58Å; S115-F117 PolarHBondContact O-N 3.37Å; F117-T119 VanDerWaalsContact C-N 3.34Å; F117-V444 HydrophobicContact CD1-CB 4.06Å; F117-V444 HydrophobicContact CD1-CG1 3.56Å; F117-V444 HydrophobicContact CD1-CG2 3.75Å; F117-V444 HydrophobicContact CE1-CB 4.44Å; F117-V444 HydrophobicContact CE1-CG1 3.93Å; F117-V444 HydrophobicContact CE1-CG2 4.5Å; F117-V444 HydrophobicContact CG-CG1 4.21Å; F117-V447 HydrophobicContact CE1-CB 3.96Å; F117-V447 HydrophobicContact CE1-CG1 3.68Å; F117-V447 HydrophobicContact CZ-CB 4.45Å; F117-V447 HydrophobicContact CZ-CG1 3.85Å; F117-L448 HydrophobicContact CE2-CD1 4.4Å; F117-L448 HydrophobicContact CZ-CB 4.39Å; F117-L448 HydrophobicContact CZ-CD1 4.35Å; F117-T554 HydrophobicContact CB-CG2 4.38Å; F117-I558 HydrophobicContact CB-CD1 4.15Å; F117-I558 HydrophobicContact CB-CG1 3.99Å; F117-I558 HydrophobicContact CD2-CD1 3.72Å; F117-I558 HydrophobicContact CD2-CG1 4.38Å; F117-I558 HydrophobicContact CE2-CD1 4.42Å; F117-I558 HydrophobicContact CG-CD1 4.11Å; F117-I558 HydrophobicContact CG-CG1 4.26Å
118N93.9Very high95.1Very high57 Ų5741.2 Ų41.231%0.30523%0.231SC..G310 helixtrans-78.2-15.1173.9-74.7-29.7000113.7S115 E116 T554 T557S115-N118 PolarHBondContact O-N 3.34Å; S115-N118 VanDerWaalsContact O-N 3.16Å; E116-N118 PolarHBondContact O-N 2.75Å; E116-N118 VanDerWaalsContact O-N 3.15Å; N118-T554 WeakPolarHBondContact ND2-CA 3.41Å; N118-T554 PolarHBondContact ND2-N 3.41Å; N118-T554 PolarHBondContact ND2-OG1 3.24Å; N118-T554 WeakPolarHBondContact OD1-CA 3.15Å; N118-T557 WeakPolarHBondContact OD1-CB 3.37Å; N118-T557 WeakPolarHBondContact OD1-CG2 3.5Å; N118-T557 PolarHBondContact OD1-OG1 3.11Å
119T95.3Very high95.2Very high57 Ų5741.3 Ų41.335%0.3523%0.234SC..THydrogen-bonded Turntrans-93-19.6-171.272.80000112.8Y110 E116 F117 G122 N123Y110-T119 WeakPolarHBondContact CD1-OG1 3.47Å; Y110-T119 WeakPolarHBondContact CE1-OG1 3.44Å; E116-T119 PolarHBondContact O-N 3.36Å; E116-T119 PolarHBondContact O-OG1 3.1Å; E116-T119 PolarHBondContact OE2-OG1 2.83Å; F117-T119 VanDerWaalsContact C-N 3.34Å; T119-G122 PolarHBondContact O-N 3.41Å; T119-N123 WeakPolarHBondContact O-CB 3.45Å; T119-N123 PolarHBondContact O-N 3.25Å
120V97.4Very high95.3Very high0 Ų039.6 Ų39.60%022%0.221CC..Hα-helixtrans-58-61.6-174.8-171.80000112.3W47 G122 N123 M124 A440 V443 V444W47-V120 HydrophobicContact CH2-CG2 3.38Å; W47-V120 HydrophobicContact CZ2-CG2 4.35Å; W47-V120 HydrophobicContact CZ3-CG2 3.99Å; V120-G122 VanDerWaalsContact C-N 3.28Å; V120-G122 PolarHBondContact O-N 3.37Å; V120-N123 WeakPolarHBondContact O-CB 3.47Å; V120-N123 PolarHBondContact O-N 2.77Å; V120-M124 HydrophobicContact CG1-CE 3.93Å; V120-M124 HydrophobicContact CG1-SD 4.4Å; V120-M124 PolarHBondContact O-N 3.16Å; V120-A440 HydrophobicContact CB-CB 4.29Å; V120-A440 HydrophobicContact CG1-CB 3.91Å; V120-V443 HydrophobicContact CG1-CB 4.41Å; V120-V443 HydrophobicContact CG1-CG1 4.18Å; V120-V444 HydrophobicContact CG2-CG2 4.12Å
121E97.4Very high95.4Very high29 Ų2939 Ų3914%0.13622%0.218CC..Hα-helixtrans-61.6-39.6-178.7-176.9-172.6149.900111.2N123 M124 R125 D436 A440 Y561E121-N123 VanDerWaalsContact C-N 3.28Å; E121-N123 PolarHBondContact O-N 3.15Å; E121-M124 PolarHBondContact O-N 3.17Å; E121-R125 WeakPolarHBondContact O-CB 3.38Å; E121-R125 PolarHBondContact O-N 3.25Å; E121-R125 IonicContact OE1-CZ 3.11Å; E121-R125 IonicContact OE1-NH2 3.97Å; E121-R125 PolarHBondContact OE1-NH2 3.3Å; E121-D436 HydrophobicContact CG-CB 4.33Å; E121-A440 HydrophobicContact CB-CB 3.74Å; E121-A440 HydrophobicContact CG-CB 4.45Å; E121-Y561 VanDerWaalsContact CB-OH 3.23Å; E121-Y561 WeakPolarHBondContact CB-OH 3.44Å; E121-Y561 PolarHBondContact OE2-OH 2.8Å
122G97Very high95.5Very high32 Ų3240.1 Ų40.133%0.3322%0.223SC..Hα-helixtrans-60.9-36.7175.600000112.6T119 V120 K126T119-G122 PolarHBondContact O-N 3.41Å; V120-G122 VanDerWaalsContact C-N 3.28Å; V120-G122 PolarHBondContact O-N 3.37Å; G122-K126 VanDerWaalsContact O-CG 3.27Å; G122-K126 WeakPolarHBondContact O-CG 3.07Å; G122-K126 PolarHBondContact O-N 2.95Å; G122-K126 VanDerWaalsContact O-N 3.09Å
123N98.2Very high95.9Very high17 Ų1743.1 Ų43.19%0.09124%0.24CC..Hα-helixtrans-73-43.6175.6-173.2-80.9000112.3P90 P106 Y110 T119 V120 E121 R125 K126 R127P90-N123 PolarHBondContact O-ND2 2.9Å; P106-N123 WeakPolarHBondContact CA-OD1 3.28Å; Y110-N123 HydrophobicContact CE1-CB 4.47Å; Y110-N123 WeakPolarHBondContact OH-CB 3.43Å; T119-N123 WeakPolarHBondContact O-CB 3.45Å; T119-N123 PolarHBondContact O-N 3.25Å; V120-N123 WeakPolarHBondContact O-CB 3.47Å; V120-N123 PolarHBondContact O-N 2.77Å; E121-N123 VanDerWaalsContact C-N 3.28Å; E121-N123 PolarHBondContact O-N 3.15Å; N123-R125 VanDerWaalsContact C-N 3.29Å; N123-R125 PolarHBondContact O-N 3.08Å; N123-K126 WeakPolarHBondContact O-CB 3.47Å; N123-K126 PolarHBondContact O-N 3.48Å; N123-K126 VanDerWaalsContact O-N 3.16Å; N123-R127 PolarHBondContact O-N 3Å; N123-R127 PolarHBondContact OD1-NE 3.24Å; N123-R127 PolarHBondContact OD1-NH2 3.38Å; N123-R127 VanDerWaalsContact OD1-NH2 3.15Å
124M98.3Very high96.1Very high0 Ų041 Ų410%023%0.227CC..Hα-helixtrans-58-42.8173.7-71.4177.5175.500111.5D49 V51 V120 E121 K126 R127 R128 L251 D436 N439 A440 V443D49-M124 HydrophobicContact CB-CE 4.1Å; D49-M124 VanDerWaalsContact CG-CE 3.48Å; D49-M124 WeakPolarHBondContact OD2-CE 3.19Å; V51-M124 HydrophobicContact CG2-CE 3.96Å; V51-M124 HydrophobicContact CG2-CG 4.48Å; V120-M124 HydrophobicContact CG1-CE 3.93Å; V120-M124 HydrophobicContact CG1-SD 4.4Å; V120-M124 PolarHBondContact O-N 3.16Å; E121-M124 PolarHBondContact O-N 3.17Å; M124-K126 PolarHBondContact O-N 3.38Å; M124-R127 WeakPolarHBondContact O-CB 3.4Å; M124-R127 PolarHBondContact O-N 2.92Å; M124-R128 PolarHBondContact O-N 3.18Å; M124-L251 HydrophobicContact CE-CD1 4.23Å; M124-D436 HydrophobicContact CB-CB 3.84Å; M124-N439 HydrophobicContact CE-CB 3.94Å; M124-N439 HydrophobicContact SD-CB 3.65Å; M124-A440 HydrophobicContact SD-CB 4.07Å; M124-V443 HydrophobicContact CE-CG2 3.89Å
125R97.3Very high96.3Very high90 Ų9041.5 Ų41.534%0.3423%0.23SC..Hα-helixtrans-62.9-41.5175.5-168-178.6-60.91762.8112E121 N123 R128 L129 D436E121-R125 WeakPolarHBondContact O-CB 3.38Å; E121-R125 PolarHBondContact O-N 3.25Å; E121-R125 IonicContact OE1-CZ 3.11Å; E121-R125 IonicContact OE1-NH2 3.97Å; E121-R125 PolarHBondContact OE1-NH2 3.3Å; N123-R125 VanDerWaalsContact C-N 3.29Å; N123-R125 PolarHBondContact O-N 3.08Å; R125-R128 PolarHBondContact O-N 2.79Å; R125-L129 HydrophobicContact CG-CD1 4.16Å; R125-L129 HydrophobicContact CG-CG 4.47Å; R125-L129 WeakPolarHBondContact O-CB 3.36Å; R125-L129 VanDerWaalsContact O-CG 3.26Å; R125-L129 WeakPolarHBondContact O-CG 3.39Å; R125-L129 PolarHBondContact O-N 2.54Å; R125-D436 WeakPolarHBondContact CA-OD2 3.46Å
126K97.3Very high96.3Very high119 Ų11945.6 Ų45.652%0.51724%0.24SC..Hα-helixtrans-58.9-47.6173.8-76.3170.9-175.7179.40111.3T91 G122 N123 M124 R128 L129 E130T91-K126 HydrophobicContact CG2-CB 4.33Å; G122-K126 VanDerWaalsContact O-CG 3.27Å; G122-K126 WeakPolarHBondContact O-CG 3.07Å; G122-K126 PolarHBondContact O-N 2.95Å; G122-K126 VanDerWaalsContact O-N 3.09Å; N123-K126 WeakPolarHBondContact O-CB 3.47Å; N123-K126 PolarHBondContact O-N 3.48Å; N123-K126 VanDerWaalsContact O-N 3.16Å; M124-K126 PolarHBondContact O-N 3.38Å; K126-R128 PolarHBondContact O-N 3.31Å; K126-L129 PolarHBondContact O-N 3.38Å; K126-E130 VanDerWaalsContact O-CB 3.28Å; K126-E130 WeakPolarHBondContact O-CB 3.36Å; K126-E130 PolarHBondContact O-N 3.34Å
127R98Very high95.9Very high0 Ų053.4 Ų53.40%027%0.273CS..Hα-helixtrans-55.5-50.8174.8-76.1178.7-92.7166.1-1.9111.4D49 T91 W93 G104 N123 M124 L129 E130 A131D49-R127 VanDerWaalsContact CG-NH2 3.32Å; D49-R127 IonicContact OD1-NH2 3.39Å; D49-R127 PolarHBondContact OD1-NH2 3.03Å; D49-R127 VanDerWaalsContact OD1-NH2 3.15Å; D49-R127 IonicContact OD2-CZ 2.56Å; D49-R127 IonicContact OD2-NH1 3.8Å; D49-R127 PolarHBondContact OD2-NH1 2.92Å; D49-R127 IonicContact OD2-NH2 3.17Å; D49-R127 PolarHBondContact OD2-NH2 2.73Å; T91-R127 HydrophobicContact CG2-CB 4.34Å; T91-R127 HydrophobicContact CG2-CG 3.38Å; W93-R127 HydrophobicContact CH2-CB 3.81Å; W93-R127 HydrophobicContact CH2-CG 4.39Å; W93-R127 WeakPolarHBondContact CH2-O 3.24Å; W93-R127 HydrophobicContact CZ2-CB 3.78Å; W93-R127 HydrophobicContact CZ2-CG 4.12Å; W93-R127 WeakPolarHBondContact CZ2-O 3.01Å; G104-R127 PolarHBondContact O-NH1 3.3Å; N123-R127 PolarHBondContact O-N 3Å; N123-R127 PolarHBondContact OD1-NE 3.24Å; N123-R127 PolarHBondContact OD1-NH2 3.38Å; N123-R127 VanDerWaalsContact OD1-NH2 3.15Å; M124-R127 WeakPolarHBondContact O-CB 3.4Å; M124-R127 PolarHBondContact O-N 2.92Å; R127-L129 PolarHBondContact O-N 3.4Å; R127-E130 PolarHBondContact O-N 2.79Å; R127-A131 WeakPolarHBondContact O-CB 3.24Å; R127-A131 PolarHBondContact O-N 3.12Å
128R97.3Very high95.6Very high20 Ų2056.8 Ų56.88%0.07529%0.291CS..Hα-helixtrans-58.4-46179.1-174.5178.9-60.5-86.50.3112.4M124 R125 K126 S132 T143 D436M124-R128 PolarHBondContact O-N 3.18Å; R125-R128 PolarHBondContact O-N 2.79Å; K126-R128 PolarHBondContact O-N 3.31Å; R128-S132 VanDerWaalsContact O-CB 3.23Å; R128-S132 WeakPolarHBondContact O-CB 3.29Å; R128-S132 PolarHBondContact O-N 3.23Å; R128-S132 PolarHBondContact O-OG 2.91Å; R128-T143 VanDerWaalsContact NH2-CG2 3.3Å; R128-T143 PolarHBondContact NH2-OG1 3.4Å; R128-D436 IonicContact CZ-OD1 2.76Å; R128-D436 VanDerWaalsContact CZ-OD1 3.31Å; R128-D436 IonicContact NE-OD1 3.79Å; R128-D436 PolarHBondContact NE-OD1 2.89Å; R128-D436 IonicContact NE-OD2 3.74Å; R128-D436 PolarHBondContact NE-OD2 2.96Å; R128-D436 VanDerWaalsContact NE-OD2 3.09Å; R128-D436 IonicContact NH2-OD1 3.78Å; R128-D436 PolarHBondContact NH2-OD1 2.9Å
129L96.6Very high95.7Very high116 Ų11655 Ų5561%0.60728%0.281SS*.Hα-helixtrans-65.5-43.9179.8-71.7172.4000112R125 K126 R127 S132 S133R125-L129 HydrophobicContact CG-CD1 4.16Å; R125-L129 HydrophobicContact CG-CG 4.47Å; R125-L129 WeakPolarHBondContact O-CB 3.36Å; R125-L129 VanDerWaalsContact O-CG 3.26Å; R125-L129 WeakPolarHBondContact O-CG 3.39Å; R125-L129 PolarHBondContact O-N 2.54Å; K126-L129 PolarHBondContact O-N 3.38Å; R127-L129 PolarHBondContact O-N 3.4Å; L129-S132 PolarHBondContact O-N 3.38Å; L129-S133 WeakPolarHBondContact O-CB 3.47Å; L129-S133 PolarHBondContact O-N 2.85Å
130E96.9Very high95.7Very high28 Ų2852.7 Ų52.713%0.13127%0.267CS..Hα-helixtrans-61.6-53.6178.2-173.9-168.7-174.100111.1L78 H89 T91 W93 K126 R127 S132 S133L78-E130 HydrophobicContact CD2-CG 3.79Å; H89-E130 IonicContact CE1-OE1 2.83Å; H89-E130 PolarHBondContact CE1-OE1 3.02Å; H89-E130 IonicContact CE1-OE2 3.46Å; H89-E130 IonicContact ND1-OE1 3.19Å; H89-E130 IonicContact NE2-OE1 3.89Å; T91-E130 WeakPolarHBondContact CB-OE2 3.48Å; T91-E130 PolarHBondContact OG1-OE2 3.18Å; W93-E130 PolarHBondContact NE1-OE2 3.38Å; K126-E130 VanDerWaalsContact O-CB 3.28Å; K126-E130 WeakPolarHBondContact O-CB 3.36Å; K126-E130 PolarHBondContact O-N 3.34Å; R127-E130 PolarHBondContact O-N 2.79Å; E130-S132 VanDerWaalsContact C-N 3.28Å; E130-S132 PolarHBondContact O-N 3.33Å; E130-S133 WeakPolarHBondContact O-CB 3.48Å; E130-S133 PolarHBondContact O-N 3.25Å; E130-S133 PolarHBondContact O-OG 3.48Å
131A97.1Very high95.6Very high0 Ų052.9 Ų52.90%027%0.268CS..Hα-helixtrans-59.9-39.5176.700000111.9L78 W93 I102 R127 S133 V134 L135 L141L78-A131 HydrophobicContact CD1-CB 4.14Å; W93-A131 HydrophobicContact CH2-CB 3.49Å; W93-A131 VanDerWaalsContact CH2-CB 3.49Å; W93-A131 HydrophobicContact CZ2-CB 3.74Å; W93-A131 HydrophobicContact CZ3-CB 4.19Å; I102-A131 HydrophobicContact CD1-CB 3.98Å; R127-A131 WeakPolarHBondContact O-CB 3.24Å; R127-A131 PolarHBondContact O-N 3.12Å; A131-S133 VanDerWaalsContact C-N 3.25Å; A131-S133 PolarHBondContact O-N 3.34Å; A131-V134 WeakPolarHBondContact O-CG2 3.46Å; A131-V134 PolarHBondContact O-N 3.38Å; A131-L135 WeakPolarHBondContact O-CG 3.45Å; A131-L141 HydrophobicContact CB-CD1 3.5Å; A131-L141 HydrophobicContact CB-CD2 3.73Å; A131-L141 HydrophobicContact CB-CG 4.28Å
132S96.4Very high95.4Very high47 Ų4751.6 Ų51.633%0.32926%0.263SS..Hα-helixtrans-65.1-30.5178-60.10000112.4R128 L129 E130 V134 L135 L141R128-S132 VanDerWaalsContact O-CB 3.23Å; R128-S132 WeakPolarHBondContact O-CB 3.29Å; R128-S132 PolarHBondContact O-N 3.23Å; R128-S132 PolarHBondContact O-OG 2.91Å; L129-S132 PolarHBondContact O-N 3.38Å; E130-S132 VanDerWaalsContact C-N 3.28Å; E130-S132 PolarHBondContact O-N 3.33Å; S132-V134 PolarHBondContact O-N 3.42Å; S132-L135 PolarHBondContact O-N 3.43Å; S132-L141 WeakPolarHBondContact OG-CD1 3.19Å
133S96.1Very high95.4Very high86 Ų8650.2 Ų50.260%0.60125%0.248SC*.Hα-helixtrans-67.8-23-176.877.20000113.8L129 E130 A131L129-S133 WeakPolarHBondContact O-CB 3.47Å; L129-S133 PolarHBondContact O-N 2.85Å; E130-S133 WeakPolarHBondContact O-CB 3.48Å; E130-S133 PolarHBondContact O-N 3.25Å; E130-S133 PolarHBondContact O-OG 3.48Å; A131-S133 VanDerWaalsContact C-N 3.25Å; A131-S133 PolarHBondContact O-N 3.34Å
134V96.6Very high95.3Very high37 Ų3749.7 Ų49.722%0.22425%0.245CC..THydrogen-bonded Turntrans-97.9-0.4179.2-57.10000112.9V74 T77 L78 A131 S132V74-V134 HydrophobicContact CG1-CG2 3.92Å; T77-V134 HydrophobicContact CG2-CB 4.17Å; T77-V134 HydrophobicContact CG2-CG1 3.81Å; L78-V134 HydrophobicContact CD1-CG2 4.46Å; L78-V134 HydrophobicContact CD2-CG1 4.23Å; L78-V134 HydrophobicContact CD2-CG2 3.91Å; L78-V134 HydrophobicContact CG-CG2 4.02Å; A131-V134 WeakPolarHBondContact O-CG2 3.46Å; A131-V134 PolarHBondContact O-N 3.38Å; S132-V134 PolarHBondContact O-N 3.42Å
135L96.2Very high95.3Very high26 Ų2649.8 Ų49.814%0.13625%0.245CC..SBendtrans-84.9156.3178-60-167.7000112.7L55 V74 A131 S132 M139 L141L55-L135 HydrophobicContact CD2-CD1 4.27Å; L55-L135 HydrophobicContact CD2-CD2 3.94Å; V74-L135 HydrophobicContact CG1-CD2 4.17Å; V74-L135 HydrophobicContact CG2-CD2 3.85Å; A131-L135 WeakPolarHBondContact O-CG 3.45Å; S132-L135 PolarHBondContact O-N 3.43Å; L135-M139 HydrophobicContact CB-CB 4.1Å; L135-M139 HydrophobicContact CD1-CB 4.27Å; L135-M139 HydrophobicContact CD2-CE 4.14Å; L135-L141 HydrophobicContact CD1-CD1 3.49Å; L135-L141 VanDerWaalsContact CD1-CD1 3.49Å; L135-L141 HydrophobicContact CD1-CG 3.8Å; L135-L141 HydrophobicContact CG-CD1 4.12Å
136K92.3Very high95.4Very high143 Ų14345.5 Ų45.562%0.62223%0.229SC*.  trans-71.9157.9171.2-61.9178-177.8172.80110.6N138 M139K136-N138 PolarHBondContact O-N 3.29Å; K136-N138 VanDerWaalsContact O-N 3.08Å; K136-M139 HydrophobicContact CB-CG 4.15Å; K136-M139 HydrophobicContact CB-SD 3.84Å; K136-M139 HydrophobicContact CD-SD 4.08Å; K136-M139 HydrophobicContact CG-SD 4.04Å; K136-M139 WeakPolarHBondContact O-CB 3.25Å; K136-M139 PolarHBondContact O-N 3.15Å
137K85.3Confident95.4Very high216 Ų21640 Ų4094%0.93921%0.205SC*.THydrogen-bonded Turntrans-54.3-32.2-174.8-172.3178178.1-176.70115.3
138N86.9Confident95.5Very high72 Ų7240 Ų4039%0.38521%0.205SC..THydrogen-bonded Turntrans-96.65.218067.4-36.7000113.6E57 L58 K136E57-N138 WeakPolarHBondContact CA-O 3.46Å; E57-N138 WeakPolarHBondContact CG-ND2 3.25Å; E57-N138 PolarHBondContact OE1-ND2 2.91Å; L58-N138 PolarHBondContact N-O 2.92Å; L58-N138 VanDerWaalsContact N-O 3.09Å; K136-N138 PolarHBondContact O-N 3.29Å; K136-N138 VanDerWaalsContact O-N 3.08Å
139M95Very high95.5Very high19 Ų1940.6 Ų40.69%0.09421%0.208CC..EExtended strand (participates in β ladder)trans-105151177.3-64.817558.800110.3V56 V68 N70 L135 K136V56-M139 CarbonylContact O-C 3.55Å; V56-M139 WeakPolarHBondContact O-CA 3.29Å; V68-M139 HydrophobicContact CB-CE 3.82Å; V68-M139 HydrophobicContact CG1-CE 3.67Å; V68-M139 HydrophobicContact CG1-SD 4.17Å; V68-M139 HydrophobicContact CG2-CE 3.92Å; V68-M139 HydrophobicContact CG2-CG 4.25Å; V68-M139 HydrophobicContact CG2-SD 4.45Å; N70-M139 WeakPolarHBondContact OD1-CE 3.45Å; L135-M139 HydrophobicContact CB-CB 4.1Å; L135-M139 HydrophobicContact CD1-CB 4.27Å; L135-M139 HydrophobicContact CD2-CE 4.14Å; K136-M139 HydrophobicContact CB-CG 4.15Å; K136-M139 HydrophobicContact CB-SD 3.84Å; K136-M139 HydrophobicContact CD-SD 4.08Å; K136-M139 HydrophobicContact CG-SD 4.04Å; K136-M139 WeakPolarHBondContact O-CB 3.25Å; K136-M139 PolarHBondContact O-N 3.15Å
140T95.7Very high95.6Very high9 Ų935.3 Ų35.36%0.05518%0.18CC..EExtended strand (participates in β ladder)trans-145.8165.8173.8-168.60000110.7V56 L58 D609V56-T140 HydrophobicContact CG2-CG2 3.37Å; V56-T140 PolarHBondContact N-O 3.49Å; V56-T140 PolarHBondContact O-N 3.42Å; L58-T140 HydrophobicContact CD1-CG2 4.3Å; L58-T140 HydrophobicContact CG-CG2 4.36Å; T140-D609 WeakPolarHBondContact CB-OD1 3.44Å; T140-D609 HydrophobicContact CG2-CB 4.4Å; T140-D609 VanDerWaalsContact CG2-OD1 3.28Å; T140-D609 WeakPolarHBondContact CG2-OD1 3.38Å; T140-D609 PolarHBondContact OG1-OD1 3.37Å
141L94.9Very high95.7Very high4 Ų434.1 Ų34.12%0.02118%0.176CC..EExtended strand (participates in β ladder)trans-98.3126.7172.2-73.2119.1000110Y53 L55 I102 A131 S132 L135Y53-L141 HydrophobicContact CD1-CB 4.5Å; Y53-L141 HydrophobicContact CD1-CD2 4.19Å; Y53-L141 HydrophobicContact CG-CD2 4.09Å; L55-L141 HydrophobicContact CD2-CD2 3.77Å; L55-L141 HydrophobicContact CD2-CG 3.98Å; I102-L141 HydrophobicContact CD1-CD2 3.66Å; I102-L141 HydrophobicContact CG1-CD2 4.17Å; A131-L141 HydrophobicContact CB-CD1 3.5Å; A131-L141 HydrophobicContact CB-CD2 3.73Å; A131-L141 HydrophobicContact CB-CG 4.28Å; S132-L141 WeakPolarHBondContact OG-CD1 3.19Å; L135-L141 HydrophobicContact CD1-CD1 3.49Å; L135-L141 VanDerWaalsContact CD1-CD1 3.49Å; L135-L141 HydrophobicContact CD1-CG 3.8Å; L135-L141 HydrophobicContact CG-CD1 4.12Å
142C94.3Very high95.7Very high3 Ų334.6 Ų34.62%0.0218%0.179CC..EExtended strand (participates in β ladder)trans-112.2126.6173.5-71.20000110.6M54 V56 I144M54-C142 PolarHBondContact N-O 3.44Å; M54-C142 PolarHBondContact O-N 3.12Å; V56-C142 HydrophobicContact CG1-CB 4.47Å; V56-C142 HydrophobicContact CG2-CB 4.48Å; V56-C142 VanDerWaalsContact CG2-SG 3.51Å; C142-I144 HydrophobicContact CB-CD1 4.38Å; C142-I144 HydrophobicContact CB-CG1 4.15Å; C142-I144 HydrophobicContact CB-CG2 4.33Å; C142-I144 PolarHBondContact O-N 3.49Å
143T96.1Very high95.7Very high2 Ų237.8 Ų37.81%0.01220%0.198CC..  trans-93.375.5165.241.50000108.4V51 Y53 R128 V432 Q433 L434V51-T143 HydrophobicContact CG1-CG2 3.94Å; Y53-T143 HydrophobicContact CD1-CG2 3.28Å; Y53-T143 HydrophobicContact CE1-CG2 3.32Å; Y53-T143 HydrophobicContact CG-CG2 4.2Å; R128-T143 VanDerWaalsContact NH2-CG2 3.3Å; R128-T143 PolarHBondContact NH2-OG1 3.4Å; T143-V432 HydrophobicContact CG2-CG2 4.25Å; T143-Q433 VanDerWaalsContact CB-O 3.22Å; T143-Q433 WeakPolarHBondContact CB-O 3.41Å; T143-Q433 CarbonylContact O-C 3.32Å; T143-Q433 VanDerWaalsContact O-O 3.1Å; T143-Q433 PolarHBondContact OG1-O 2.94Å; T143-Q433 VanDerWaalsContact OG1-O 3.08Å; T143-L434 WeakPolarHBondContact O-CA 3.49Å; T143-L434 PolarHBondContact OG1-O 3.43Å
144I97.1Very high95.7Very high7 Ų734.4 Ų34.44%0.03618%0.177CC..  trans-117.6141.7173.659.5176.4000108.1M54 C142 F147 C249 L605M54-I144 HydrophobicContact SD-CD1 4.24Å; M54-I144 HydrophobicContact SD-CG1 3.97Å; C142-I144 HydrophobicContact CB-CD1 4.38Å; C142-I144 HydrophobicContact CB-CG1 4.15Å; C142-I144 HydrophobicContact CB-CG2 4.33Å; C142-I144 PolarHBondContact O-N 3.49Å; I144-F147 HydrophobicContact CD1-CB 4.5Å; I144-F147 HydrophobicContact CD1-CD2 4.15Å; I144-C249 WeakPolarHBondContact O-CB 3.46Å; I144-L605 HydrophobicContact CD1-CD2 3.75Å; I144-L605 HydrophobicContact CG2-CD2 4.36Å
145T98.7Very high95.8Very high1 Ų133.1 Ų33.11%0.00617%0.168CC..SBendtrans-69.2-53.2-178.6-70.10000111.5M54 N248 C249 R297 E431 V432M54-T145 WeakPolarHBondContact CE-O 3.38Å; T145-N248 CarbonylContact O-C 3.51Å; T145-N248 WeakPolarHBondContact O-CA 3.22Å; T145-N248 WeakPolarHBondContact O-CB 3.35Å; T145-C249 WeakPolarHBondContact CG2-O 3.25Å; T145-C249 PolarHBondContact O-N 3.36Å; T145-R297 HydrophobicContact CG2-CB 3.92Å; T145-R297 HydrophobicContact CG2-CG 4.25Å; T145-E431 WeakPolarHBondContact CG2-OE2 3.49Å; T145-E431 WeakPolarHBondContact OG1-CB 3.2Å; T145-V432 PolarHBondContact OG1-N 3.23Å; T145-V432 PolarHBondContact OG1-O 3.34Å; T145-V432 VanDerWaalsContact OG1-O 3.1Å
146S98.3Very high95.9Very high1 Ų132 Ų321%0.00716%0.162CC..SBendtrans-122.1127.6-179.859.10000110.6P148 N248 S284 F286S146-P148 WeakPolarHBondContact O-CD 3.15Å; S146-N248 WeakPolarHBondContact CA-OD1 3.32Å; S146-S284 VanDerWaalsContact OG-CA 3.31Å; S146-S284 WeakPolarHBondContact OG-CA 3.46Å; S146-S284 VanDerWaalsContact OG-CB 3.23Å; S146-S284 WeakPolarHBondContact OG-CB 3.42Å; S146-F286 PolarHBondContact OG-O 3.32Å
147F98.7Very high96.1Very high2 Ų228.5 Ų28.51%0.00915%0.147CC..  trans-69.7117.9172.2-177.7-104.5000109.7M54 V65 L67 I144 R149 L150 F155 L605M54-F147 HydrophobicContact SD-CB 3.82Å; V65-F147 HydrophobicContact CG1-CE2 4.05Å; V65-F147 HydrophobicContact CG1-CZ 4.49Å; L67-F147 HydrophobicContact CD1-CB 4.05Å; L67-F147 HydrophobicContact CD1-CD1 3.73Å; L67-F147 HydrophobicContact CD1-CD2 4.4Å; L67-F147 HydrophobicContact CD1-CE1 4.31Å; L67-F147 HydrophobicContact CD1-CG 3.81Å; L67-F147 HydrophobicContact CD2-CB 4.42Å; L67-F147 HydrophobicContact CD2-CD2 3.9Å; L67-F147 HydrophobicContact CD2-CE2 4.33Å; L67-F147 HydrophobicContact CD2-CG 4.08Å; L67-F147 HydrophobicContact CG-CD1 4.02Å; L67-F147 HydrophobicContact CG-CD2 4.05Å; L67-F147 HydrophobicContact CG-CE1 4.23Å; L67-F147 HydrophobicContact CG-CE2 4.22Å; L67-F147 HydrophobicContact CG-CG 3.96Å; L67-F147 HydrophobicContact CG-CZ 4.32Å; I144-F147 HydrophobicContact CD1-CB 4.5Å; I144-F147 HydrophobicContact CD1-CD2 4.15Å; F147-R149 HydrophobicContact CE1-CB 4.02Å; F147-R149 PolarHBondContact O-N 2.8Å; F147-L150 HydrophobicContact CB-CB 4.31Å; F147-L150 HydrophobicContact CD1-CB 4.15Å; F147-L150 VanDerWaalsContact CD1-N 3.35Å; F147-L150 WeakPolarHBondContact O-CB 3.26Å; F147-L150 PolarHBondContact O-N 3.44Å; F147-F155 HydrophobicContact CE1-CB 4.25Å; F147-L605 HydrophobicContact CD2-CD1 3.89Å; F147-L605 HydrophobicContact CE2-CD1 3.44Å; F147-L605 VanDerWaalsContact CE2-CD1 3.44Å; F147-L605 HydrophobicContact CZ-CD1 4.42Å
148P98.8Very high96.6Very high0 Ų021.5 Ų21.50%012%0.124CC..THydrogen-bonded Turntrans-58.3-32.3-165.4-28.635.7000115.1S146 F286 G289 M580 V596 N601 L604S146-P148 WeakPolarHBondContact O-CD 3.15Å; P148-F286 HydrophobicContact CB-CB 3.78Å; P148-F286 HydrophobicContact CB-CD2 3.85Å; P148-F286 HydrophobicContact CB-CG 4.24Å; P148-F286 HydrophobicContact CG-CB 4.42Å; P148-F286 HydrophobicContact CG-CD2 3.93Å; P148-G289 WeakPolarHBondContact O-CA 3.35Å; P148-G289 PolarHBondContact O-N 3.11Å; P148-M580 HydrophobicContact CG-CE 4.14Å; P148-V596 HydrophobicContact CB-CG1 4.26Å; P148-N601 WeakPolarHBondContact CB-OD1 3.49Å; P148-N601 WeakPolarHBondContact CG-OD1 3.16Å; P148-L604 HydrophobicContact CG-CD2 4.25Å
149R98.6Very high97.1Very high34 Ų3423.8 Ų23.813%0.12813%0.132CC..THydrogen-bonded Turntrans-108.725.4-177.6-68-17561.368.10.8113.2F147 G151 C152 F155 V596 T597 D598 N601F147-R149 HydrophobicContact CE1-CB 4.02Å; F147-R149 PolarHBondContact O-N 2.8Å; R149-G151 PolarHBondContact O-N 2.96Å; R149-C152 HydrophobicContact CB-CB 4.07Å; R149-C152 VanDerWaalsContact O-CB 3.22Å; R149-C152 WeakPolarHBondContact O-CB 3.38Å; R149-C152 PolarHBondContact O-N 2.73Å; R149-C152 PolarHBondContact O-SG 3.44Å; R149-F155 WeakPolarHBondContact O-CB 3.32Å; R149-V596 WeakPolarHBondContact CD-O 3.11Å; R149-V596 HydrophobicContact CG-CG1 4.47Å; R149-V596 PolarHBondContact NH1-O 2.8Å; R149-T597 WeakPolarHBondContact CD-O 3.25Å; R149-D598 IonicContact CZ-OD1 3.23Å; R149-D598 VanDerWaalsContact CZ-OD1 3.26Å; R149-D598 IonicContact NE-OD1 3.02Å; R149-D598 PolarHBondContact NE-OD1 3.02Å; R149-D598 IonicContact NH2-OD1 2.91Å; R149-D598 PolarHBondContact NH2-OD1 3.42Å; R149-N601 VanDerWaalsContact CD-CB 3.48Å; R149-N601 HydrophobicContact CG-CB 4.01Å
150L98.6Very high97.2Very high4 Ų427.4 Ų27.42%0.02115%0.145CC..THydrogen-bonded Turntrans-57.2129.9177.9-170.169.7000109.9L67 Y100 F147 C152 F155 F175 G243 F244 R288L67-L150 HydrophobicContact CD1-CD1 3.51Å; Y100-L150 HydrophobicContact CE1-CD1 4.38Å; Y100-L150 WeakPolarHBondContact OH-CD1 3.35Å; F147-L150 HydrophobicContact CB-CB 4.31Å; F147-L150 HydrophobicContact CD1-CB 4.15Å; F147-L150 VanDerWaalsContact CD1-N 3.35Å; F147-L150 WeakPolarHBondContact O-CB 3.26Å; F147-L150 PolarHBondContact O-N 3.44Å; L150-C152 VanDerWaalsContact C-N 3.27Å; L150-C152 PolarHBondContact O-N 3.38Å; L150-F155 HydrophobicContact CD1-CD2 3.94Å; L150-F155 HydrophobicContact CD1-CE2 3.43Å; L150-F155 VanDerWaalsContact CD1-CE2 3.43Å; L150-F155 HydrophobicContact CD1-CZ 4.19Å; L150-F155 HydrophobicContact CG-CE2 4.39Å; L150-F175 HydrophobicContact CD1-CE2 4.06Å; L150-F175 HydrophobicContact CD2-CE2 4.38Å; L150-F175 HydrophobicContact CG-CE2 4.29Å; L150-G243 WeakPolarHBondContact CD2-O 3.33Å; L150-F244 HydrophobicContact CD2-CD1 4.08Å; L150-F244 HydrophobicContact CG-CD1 4.33Å; L150-F244 HydrophobicContact CG-CE1 4.49Å; L150-F244 WeakPolarHBondContact O-CE1 3.4Å; L150-R288 WeakPolarHBondContact O-CA 3.39Å
151G97.9Very high97.3Very high4 Ų436.8 Ų36.84%0.04118%0.18CC..THydrogen-bonded Turntrans74.76.3-176.600000115.8R149 F174R149-G151 PolarHBondContact O-N 2.96Å; G151-F174 WeakPolarHBondContact CA-O 3.46Å
152C98.3Very high97.4Very high10 Ų1038.3 Ų38.37%0.06819%0.19CC..SBendtrans-78.9155.2168.5-68.40000111.2R149 L150 G154 F155 R288R149-C152 HydrophobicContact CB-CB 4.07Å; R149-C152 VanDerWaalsContact O-CB 3.22Å; R149-C152 WeakPolarHBondContact O-CB 3.38Å; R149-C152 PolarHBondContact O-N 2.73Å; R149-C152 PolarHBondContact O-SG 3.44Å; L150-C152 VanDerWaalsContact C-N 3.27Å; L150-C152 PolarHBondContact O-N 3.38Å; C152-G154 PolarHBondContact O-N 3.38Å; C152-F155 WeakPolarHBondContact O-CB 3.41Å; C152-F155 WeakPolarHBondContact O-CD1 3.46Å; C152-F155 PolarHBondContact O-N 3.19Å; C152-R288 PolarHBondContact SG-O 2.77Å; C152-R288 VanDerWaalsContact SG-O 3.37Å
153P95.9Very high97.4Very high113 Ų11339.9 Ų39.973%0.73420%0.2SC*.THydrogen-bonded Turntrans-51.8132.7174.7-26.835.3000112.5F155P153-F155 VanDerWaalsContact C-N 3.33Å; P153-F155 PolarHBondContact O-N 3.31Å
154G95.9Very high97.4Very high15 Ų1541.3 Ų41.316%0.15521%0.209CC..THydrogen-bonded Turntrans73.214.2177.200000116.3R66 C152 T156R66-G154 WeakPolarHBondContact CG-O 3.25Å; C152-G154 PolarHBondContact O-N 3.38Å; G154-T156 VanDerWaalsContact C-N 3.26Å; G154-T156 PolarHBondContact O-N 3.01Å
155F98Very high97.3Very high10 Ų1044.2 Ų44.24%0.04423%0.227CC..  trans-71.3-13.2-175.384.8-84.5000115.1R66 L67 F147 R149 L150 C152 P153 F175 P176 A179R66-F155 CarbonylContact C-O 3.49Å; R66-F155 VanDerWaalsContact CA-O 3.31Å; R66-F155 WeakPolarHBondContact CA-O 3.4Å; L67-F155 HydrophobicContact CD1-CD2 3.92Å; L67-F155 HydrophobicContact CD1-CE2 4Å; L67-F155 PolarHBondContact N-O 3Å; F147-F155 HydrophobicContact CE1-CB 4.25Å; R149-F155 WeakPolarHBondContact O-CB 3.32Å; L150-F155 HydrophobicContact CD1-CD2 3.94Å; L150-F155 HydrophobicContact CD1-CE2 3.43Å; L150-F155 VanDerWaalsContact CD1-CE2 3.43Å; L150-F155 HydrophobicContact CD1-CZ 4.19Å; L150-F155 HydrophobicContact CG-CE2 4.39Å; C152-F155 WeakPolarHBondContact O-CB 3.41Å; C152-F155 WeakPolarHBondContact O-CD1 3.46Å; C152-F155 PolarHBondContact O-N 3.19Å; P153-F155 VanDerWaalsContact C-N 3.33Å; P153-F155 PolarHBondContact O-N 3.31Å; F155-F175 HydrophobicContact CZ-CD2 4.25Å; F155-F175 HydrophobicContact CZ-CE2 4.39Å; F155-P176 VanDerWaalsContact CE1-CD 3.45Å; F155-P176 HydrophobicContact CE1-CG 4.07Å; F155-P176 HydrophobicContact CZ-CG 4.2Å; F155-A179 HydrophobicContact CZ-CB 4.38Å
156T98.3Very high97.1Very high2 Ų249 Ų491%0.01225%0.249CC..EExtended strand (participates in β ladder)trans-108.9156.9-178.1660000112.8L67 L69 G154 P158 E159 Y160 P176 A179L67-T156 CarbonylContact O-C 3.53Å; L67-T156 WeakPolarHBondContact O-CA 3.37Å; L69-T156 HydrophobicContact CD1-CG2 4.1Å; L69-T156 HydrophobicContact CD2-CG2 3.9Å; L69-T156 HydrophobicContact CG-CG2 4.37Å; G154-T156 VanDerWaalsContact C-N 3.26Å; G154-T156 PolarHBondContact O-N 3.01Å; T156-P158 CarbonylContact C-O 3.43Å; T156-P158 VanDerWaalsContact C-O 3.26Å; T156-P158 WeakPolarHBondContact CB-O 3.49Å; T156-P158 CarbonylContact O-C 3.52Å; T156-P158 PolarHBondContact OG1-O 2.86Å; T156-E159 WeakPolarHBondContact O-CA 3.47Å; T156-E159 PolarHBondContact O-N 2.85Å; T156-Y160 PolarHBondContact OG1-N 2.92Å; T156-P176 HydrophobicContact CG2-CG 4.16Å; T156-A179 HydrophobicContact CG2-CB 4.38Å
157K96.6Very high96.8Very high70 Ų7057.7 Ų57.730%0.30429%0.287SS..EExtended strand (participates in β ladder)trans-126.7118.5169.1-171.167.8172.4-107.20110.3E57 R66 L67 V68 L69E57-K157 IonicContact OE1-NZ 3.81Å; E57-K157 PolarHBondContact OE1-NZ 3.34Å; E57-K157 WeakPolarHBondContact OE2-CD 3.41Å; E57-K157 WeakPolarHBondContact OE2-CG 3.38Å; E57-K157 IonicContact OE2-NZ 3.69Å; E57-K157 PolarHBondContact OE2-NZ 2.82Å; R66-K157 HydrophobicContact CB-CB 4Å; L67-K157 PolarHBondContact O-N 2.94Å; V68-K157 HydrophobicContact CG2-CB 4.49Å; L69-K157 PolarHBondContact N-O 3.35Å
158P96.9Very high96.7Very high69 Ų6957.7 Ų57.745%0.44829%0.288SS..SBendcis-61.4160.6-9.424.1-26.7000112.3T156 Y160T156-P158 CarbonylContact C-O 3.43Å; T156-P158 VanDerWaalsContact C-O 3.26Å; T156-P158 WeakPolarHBondContact CB-O 3.49Å; T156-P158 CarbonylContact O-C 3.52Å; T156-P158 PolarHBondContact OG1-O 2.86Å; P158-Y160 HydrophobicContact CB-CE2 4.32Å; P158-Y160 HydrophobicContact CG-CD2 4.46Å; P158-Y160 HydrophobicContact CG-CE2 3.55Å; P158-Y160 WeakPolarHBondContact O-CD2 3.17Å
159E97.1Very high96.6Very high120 Ų12059.2 Ų59.256%0.56130%0.297SS*.  trans-73.6127.3178.9-178.4171.5166.400109.8T156T156-E159 WeakPolarHBondContact O-CA 3.47Å; T156-E159 PolarHBondContact O-N 2.85Å
160Y97.4Very high96.5Very high95 Ų9557.8 Ų57.837%0.37329%0.292SS..  trans-123.2151174.3-70-77.3000110.7L69 T156 P158 E178L69-Y160 HydrophobicContact CD1-CD2 3.6Å; L69-Y160 HydrophobicContact CD1-CE2 3.81Å; T156-Y160 PolarHBondContact OG1-N 2.92Å; P158-Y160 HydrophobicContact CB-CE2 4.32Å; P158-Y160 HydrophobicContact CG-CD2 4.46Å; P158-Y160 HydrophobicContact CG-CE2 3.55Å; P158-Y160 WeakPolarHBondContact O-CD2 3.17Å; Y160-E178 HydrophobicContact CD1-CB 4.3Å; Y160-E178 HydrophobicContact CD1-CG 3.72Å; Y160-E178 HydrophobicContact CD2-CB 3.57Å; Y160-E178 HydrophobicContact CD2-CG 3.92Å; Y160-E178 HydrophobicContact CE1-CG 3.8Å; Y160-E178 HydrophobicContact CE2-CB 3.75Å; Y160-E178 HydrophobicContact CE2-CG 3.93Å; Y160-E178 HydrophobicContact CG-CB 3.85Å; Y160-E178 HydrophobicContact CG-CG 3.8Å
161R96.2Very high96.5Very high206 Ų20658.8 Ų58.878%0.77730%0.296SS*.  trans-94.5143.1173.2-66.8-171.2178.6-157.3-0.1110
162P96.8Very high96.5Very high36 Ų3658.6 Ų58.623%0.23429%0.294CS..  trans-58155.8171.2-23.435.3000112.5P164 S172 F174P162-P164 VanDerWaalsContact C-CD 3.43Å; P162-P164 WeakPolarHBondContact O-CD 3.5Å; P162-S172 VanDerWaalsContact CB-O 3.3Å; P162-S172 WeakPolarHBondContact CB-O 3.5Å; P162-F174 VanDerWaalsContact CG-C 3.42Å; P162-F174 WeakPolarHBondContact CG-O 3.47Å
163T96.3Very high96.5Very high36 Ų3659 Ų5922%0.22130%0.296CS..  trans-112.779.4174.8-61.10000109.3V165 K167T163-V165 HydrophobicContact CG2-CG2 3.55Å; T163-V165 PolarHBondContact O-N 3.14Å; T163-K167 HydrophobicContact CG2-CG 4.14Å
164P96.1Very high96.6Very high32 Ų3254.8 Ų54.821%0.20827%0.266CS..  trans-79.543.4-172.635-39.1000113P162 L173P162-P164 VanDerWaalsContact C-CD 3.43Å; P162-P164 WeakPolarHBondContact O-CD 3.5Å; P164-L173 HydrophobicContact CB-CD2 3.82Å
165V94.9Very high96.7Very high68 Ų6854 Ų5441%0.41226%0.259SS..SBendtrans-137.5162.4-178.3-69.40000109.6T163 K167 G168T163-V165 HydrophobicContact CG2-CG2 3.55Å; T163-V165 PolarHBondContact O-N 3.14Å; V165-K167 HydrophobicContact CG2-CD 4.2Å; V165-K167 HydrophobicContact CG2-CG 3.51Å; V165-K167 PolarHBondContact O-N 3.41Å; V165-G168 WeakPolarHBondContact O-CA 3.39Å; V165-G168 PolarHBondContact O-N 2.97Å
166E93.1Very high96.7Very high101 Ų10153.6 Ų53.647%0.47226%0.257SS..THydrogen-bonded Turntrans-58.1-27.4-171.3-170.553.2-141.300114.7G168 R194 H195E166-G168 PolarHBondContact O-N 3.47Å; E166-R194 VanDerWaalsContact CD-NH1 3.33Å; E166-R194 IonicContact OE1-CZ 2.87Å; E166-R194 IonicContact OE1-NH1 2.7Å; E166-R194 PolarHBondContact OE1-NH1 3.13Å; E166-R194 IonicContact OE1-NH2 3.93Å; E166-R194 PolarHBondContact OE1-NH2 3.23Å; E166-R194 IonicContact OE2-NH1 3.43Å; E166-R194 PolarHBondContact OE2-NH1 3.15Å; E166-H195 IonicContact OE1-CE1 2.75Å; E166-H195 PolarHBondContact OE1-CE1 3.08Å; E166-H195 IonicContact OE1-NE2 3.15Å; E166-H195 PolarHBondContact OE1-NE2 3.33Å
167K93.5Very high96.7Very high184 Ų18454.9 Ų54.980%0.826%0.263SS*.THydrogen-bonded Turntrans-68.2-18.7174.263.6166.3-175.31760113.7T163 V165T163-K167 HydrophobicContact CG2-CG 4.14Å; V165-K167 HydrophobicContact CG2-CD 4.2Å; V165-K167 HydrophobicContact CG2-CG 3.51Å; V165-K167 PolarHBondContact O-N 3.41Å
168G95.5Very high96.8Very high3 Ų355.4 Ų55.43%0.03127%0.267CS..SBendtrans-73.3145175.600000111V165 E166 D177 R194V165-G168 WeakPolarHBondContact O-CA 3.39Å; V165-G168 PolarHBondContact O-N 2.97Å; E166-G168 PolarHBondContact O-N 3.47Å; G168-D177 VanDerWaalsContact CA-OD2 3.27Å; G168-D177 WeakPolarHBondContact CA-OD2 3.14Å; G168-R194 PolarHBondContact O-NH2 3.06Å
169V97.3Very high96.8Very high31 Ų3152.1 Ų52.119%0.18825%0.245CC..SBendtrans-62.5-55.4179.1177.50000109.4D177 I180 S187 T190 R191 R194V169-D177 HydrophobicContact CB-CB 4.22Å; V169-D177 HydrophobicContact CG2-CB 4.23Å; V169-D177 PolarHBondContact N-OD1 3.24Å; V169-D177 PolarHBondContact N-OD2 3.36Å; V169-I180 HydrophobicContact CB-CD1 4.13Å; V169-I180 HydrophobicContact CG1-CD1 3.74Å; V169-S187 VanDerWaalsContact CG1-O 3.23Å; V169-S187 WeakPolarHBondContact CG1-O 3.39Å; V169-T190 HydrophobicContact CG1-CG2 3.91Å; V169-R191 HydrophobicContact CG1-CB 4.38Å; V169-R194 PolarHBondContact O-NE 3.01Å
170S96.8Very high96.9Very high5 Ų546.7 Ų46.74%0.03522%0.22CC..SBendtrans-85.1-26.8-179.963.90000114S172 F175 D177S170-S172 PolarHBondContact O-N 2.96Å; S170-S172 WeakPolarHBondContact OG-CB 3.42Å; S170-S172 PolarHBondContact OG-N 3.39Å; S170-F175 PolarHBondContact OG-O 2.94Å; S170-D177 WeakPolarHBondContact CB-OD1 3.17Å; S170-D177 PolarHBondContact N-OD1 2.9Å; S170-D177 PolarHBondContact OG-OD1 3.35Å
171K97.1Very high96.9Very high24 Ų2442.8 Ų42.810%0.10421%0.206CC..  trans56.220.8-166.4-161.5-165.3168.9-159.70112.4K200 D225 E227K171-K200 HydrophobicContact CB-CD 4.24Å; K171-K200 HydrophobicContact CB-CG 4.48Å; K171-K200 HydrophobicContact CD-CD 4.46Å; K171-K200 WeakPolarHBondContact O-CD 3.37Å; K171-D225 VanDerWaalsContact CE-OD2 3.26Å; K171-D225 WeakPolarHBondContact CE-OD2 3.23Å; K171-D225 IonicContact NZ-OD2 2.74Å; K171-D225 PolarHBondContact NZ-OD2 2.72Å; K171-E227 IonicContact NZ-OE2 2.71Å; K171-E227 PolarHBondContact NZ-OE2 2.85Å
172S98.1Very high96.8Very high0 Ų041.1 Ų41.10%020%0.2CC..  trans-70.7147.2-175.4178.50000112P162 S170 F174 F175 D240P162-S172 VanDerWaalsContact CB-O 3.3Å; P162-S172 WeakPolarHBondContact CB-O 3.5Å; S170-S172 PolarHBondContact O-N 2.96Å; S170-S172 WeakPolarHBondContact OG-CB 3.42Å; S170-S172 PolarHBondContact OG-N 3.39Å; S172-F174 VanDerWaalsContact C-N 3.28Å; S172-F174 PolarHBondContact OG-N 3.49Å; S172-F175 PolarHBondContact OG-N 3.02Å; S172-D240 WeakPolarHBondContact CA-OD2 3.09Å; S172-D240 WeakPolarHBondContact CB-OD1 3.39Å; S172-D240 PolarHBondContact OG-OD1 2.89Å
173L98Very high96.7Very high19 Ų1940.7 Ų40.710%0.09919%0.194CC..SBendtrans-75.4-16.3168.9-63.7176.5000113.3P164 F221 D224 A228 D240P164-L173 HydrophobicContact CB-CD2 3.82Å; L173-F221 HydrophobicContact CD1-CB 4Å; L173-F221 HydrophobicContact CD1-CD1 4.15Å; L173-F221 HydrophobicContact CD1-CG 4.14Å; L173-D224 HydrophobicContact CD1-CB 4.07Å; L173-D224 HydrophobicContact CD2-CB 4.33Å; L173-A228 HydrophobicContact CD1-CB 3.45Å; L173-A228 VanDerWaalsContact CD1-CB 3.45Å; L173-D240 PolarHBondContact N-OD2 3.44Å
174F98.1Very high96.6Very high24 Ų2441 Ų4111%0.10520%0.197CC..SBendtrans-130-32.1-164.1-49.5-56.9000113.2G151 P162 S172 F221 Y238 D240 F244G151-F174 WeakPolarHBondContact CA-O 3.46Å; P162-F174 VanDerWaalsContact CG-C 3.42Å; P162-F174 WeakPolarHBondContact CG-O 3.47Å; S172-F174 VanDerWaalsContact C-N 3.28Å; S172-F174 PolarHBondContact OG-N 3.49Å; F174-F221 HydrophobicContact CE1-CD1 4.34Å; F174-F221 HydrophobicContact CE1-CE1 4.49Å; F174-F221 AromaticContact CZ-CD1 3.78Å; F174-F221 HydrophobicContact CZ-CD1 3.78Å; F174-F221 AromaticContact CZ-CE1 3.68Å; F174-F221 HydrophobicContact CZ-CE1 3.68Å; F174-Y238 AromaticContact CE2-CD1 3.84Å; F174-Y238 HydrophobicContact CE2-CD1 3.84Å; F174-Y238 HydrophobicContact CE2-CE1 4.11Å; F174-Y238 HydrophobicContact CZ-CD1 4.24Å; F174-D240 WeakPolarHBondContact CD2-OD1 3.27Å; F174-F244 HydrophobicContact CB-CE2 4.01Å; F174-F244 HydrophobicContact CB-CZ 3.6Å; F174-F244 HydrophobicContact CD2-CE2 4.1Å; F174-F244 HydrophobicContact CD2-CZ 4.05Å; F174-F244 HydrophobicContact CG-CZ 4.21Å
175F98.3Very high96.5Very high0 Ų042.6 Ų42.60%020%0.199CC..  trans-105.1112.8-172-161.7-82.4000110.5Y97 Y100 L150 F155 S170 S172 A179 I180 A241 F244Y97-F175 HydrophobicContact CE1-CE1 4.33Å; Y97-F175 HydrophobicContact CE1-CZ 4.21Å; Y100-F175 HydrophobicContact CE1-CZ 4.32Å; L150-F175 HydrophobicContact CD1-CE2 4.06Å; L150-F175 HydrophobicContact CD2-CE2 4.38Å; L150-F175 HydrophobicContact CG-CE2 4.29Å; F155-F175 HydrophobicContact CZ-CD2 4.25Å; F155-F175 HydrophobicContact CZ-CE2 4.39Å; S170-F175 PolarHBondContact OG-O 2.94Å; S172-F175 PolarHBondContact OG-N 3.02Å; F175-A179 HydrophobicContact CD1-CB 4.13Å; F175-A179 HydrophobicContact CE1-CB 3.4Å; F175-A179 VanDerWaalsContact CE1-CB 3.4Å; F175-A179 HydrophobicContact CE2-CB 4.27Å; F175-A179 HydrophobicContact CZ-CB 3.48Å; F175-A179 VanDerWaalsContact CZ-CB 3.48Å; F175-I180 HydrophobicContact CD1-CG1 4.5Å; F175-I180 HydrophobicContact CE1-CG1 3.93Å; F175-A241 HydrophobicContact CB-CB 3.75Å; F175-A241 HydrophobicContact CG-CB 4.26Å; F175-F244 HydrophobicContact CB-CE2 4.28Å
176P98.2Very high96.6Very high1 Ų140.1 Ų40.11%0.00618%0.183CC..  trans-69.5144.4175.729.2-33.6000111.2F155 T156 E178 A179F155-P176 VanDerWaalsContact CE1-CD 3.45Å; F155-P176 HydrophobicContact CE1-CG 4.07Å; F155-P176 HydrophobicContact CZ-CG 4.2Å; T156-P176 HydrophobicContact CG2-CG 4.16Å; P176-E178 PolarHBondContact O-N 3.39Å; P176-A179 HydrophobicContact CG-CB 4.07Å; P176-A179 WeakPolarHBondContact O-CB 3.17Å; P176-A179 PolarHBondContact O-N 3.12Å
177D98.2Very high96.8Very high28 Ų2837 Ų3715%0.1517%0.172CC..G310 helixtrans-67.5-23.5-178-65.7-29.6000111.5G168 V169 S170 A179 I180G168-D177 VanDerWaalsContact CA-OD2 3.27Å; G168-D177 WeakPolarHBondContact CA-OD2 3.14Å; V169-D177 HydrophobicContact CB-CB 4.22Å; V169-D177 HydrophobicContact CG2-CB 4.23Å; V169-D177 PolarHBondContact N-OD1 3.24Å; V169-D177 PolarHBondContact N-OD2 3.36Å; S170-D177 WeakPolarHBondContact CB-OD1 3.17Å; S170-D177 PolarHBondContact N-OD1 2.9Å; S170-D177 PolarHBondContact OG-OD1 3.35Å; D177-A179 PolarHBondContact O-N 3.33Å; D177-I180 HydrophobicContact CB-CD1 4.47Å; D177-I180 VanDerWaalsContact O-CB 3.23Å; D177-I180 WeakPolarHBondContact O-CB 3.5Å; D177-I180 WeakPolarHBondContact O-CG1 3.32Å; D177-I180 PolarHBondContact O-N 2.91Å
178E98.2Very high96.9Very high81 Ų8128.3 Ų28.338%0.37913%0.134SC..G310 helixtrans-65.5-20.2173.1-64.284.2174.800113.1L69 S99 Y160 P176 I180L69-E178 HydrophobicContact CD1-CB 4.07Å; S99-E178 WeakPolarHBondContact CB-O 3.39Å; S99-E178 PolarHBondContact OG-O 2.85Å; Y160-E178 HydrophobicContact CD1-CB 4.3Å; Y160-E178 HydrophobicContact CD1-CG 3.72Å; Y160-E178 HydrophobicContact CD2-CB 3.57Å; Y160-E178 HydrophobicContact CD2-CG 3.92Å; Y160-E178 HydrophobicContact CE1-CG 3.8Å; Y160-E178 HydrophobicContact CE2-CB 3.75Å; Y160-E178 HydrophobicContact CE2-CG 3.93Å; Y160-E178 HydrophobicContact CG-CB 3.85Å; Y160-E178 HydrophobicContact CG-CG 3.8Å; P176-E178 PolarHBondContact O-N 3.39Å; E178-I180 PolarHBondContact O-N 3.05Å
179A98.4Very high97Very high0 Ų028.4 Ų28.40%013%0.134CC..G310 helixtrans-77.6-6.5172.100000112.7L69 G98 S99 Y100 F155 T156 F175 P176 D177L69-A179 HydrophobicContact CD2-CB 4.22Å; G98-A179 WeakPolarHBondContact CA-O 3.4Å; S99-A179 PolarHBondContact N-O 3.17Å; S99-A179 VanDerWaalsContact OG-CA 3.3Å; S99-A179 WeakPolarHBondContact OG-CA 3.42Å; S99-A179 PolarHBondContact OG-O 3.33Å; Y100-A179 HydrophobicContact CE1-CB 4.23Å; F155-A179 HydrophobicContact CZ-CB 4.38Å; T156-A179 HydrophobicContact CG2-CB 4.38Å; F175-A179 HydrophobicContact CD1-CB 4.13Å; F175-A179 HydrophobicContact CE1-CB 3.4Å; F175-A179 VanDerWaalsContact CE1-CB 3.4Å; F175-A179 HydrophobicContact CE2-CB 4.27Å; F175-A179 HydrophobicContact CZ-CB 3.48Å; F175-A179 VanDerWaalsContact CZ-CB 3.48Å; P176-A179 HydrophobicContact CG-CB 4.07Å; P176-A179 WeakPolarHBondContact O-CB 3.17Å; P176-A179 PolarHBondContact O-N 3.12Å; D177-A179 PolarHBondContact O-N 3.33Å
180I98.6Very high97.1Very high7 Ų727.2 Ų27.24%0.03613%0.127CC..BIsolated β-bridgetrans-85.7136169.5-48.9176.1000108.3Y97 V169 F175 D177 E178 R182 F186 T190Y97-I180 HydrophobicContact CE1-CG1 4.38Å; Y97-I180 HydrophobicContact CE2-CG2 4.07Å; Y97-I180 WeakPolarHBondContact OH-CG1 3.37Å; V169-I180 HydrophobicContact CB-CD1 4.13Å; V169-I180 HydrophobicContact CG1-CD1 3.74Å; F175-I180 HydrophobicContact CD1-CG1 4.5Å; F175-I180 HydrophobicContact CE1-CG1 3.93Å; D177-I180 HydrophobicContact CB-CD1 4.47Å; D177-I180 VanDerWaalsContact O-CB 3.23Å; D177-I180 WeakPolarHBondContact O-CB 3.5Å; D177-I180 WeakPolarHBondContact O-CG1 3.32Å; D177-I180 PolarHBondContact O-N 2.91Å; E178-I180 PolarHBondContact O-N 3.05Å; I180-R182 PolarHBondContact O-N 2.86Å; I180-F186 HydrophobicContact CG2-CB 3.7Å; I180-T190 HydrophobicContact CD1-CG2 4.15Å
181N97.4Very high97.1Very high12 Ų1231 Ų316%0.06414%0.14CC..  trans-56140177.9-175.4-46.7000111.5E96 Y97 H183 F186E96-N181 WeakPolarHBondContact O-CB 3.34Å; E96-N181 PolarHBondContact O-ND2 3.07Å; Y97-N181 VanDerWaalsContact O-CB 3.23Å; Y97-N181 WeakPolarHBondContact O-CB 3.46Å; Y97-N181 PolarHBondContact O-N 3.48Å; N181-H183 PolarHBondContact O-N 3.31Å; N181-H183 VanDerWaalsContact O-N 3.16Å; N181-H183 PolarHBondContact OD1-N 3.49Å; N181-F186 HydrophobicContact CB-CD2 3.5Å; N181-F186 VanDerWaalsContact CB-CD2 3.5Å; N181-F186 HydrophobicContact CB-CE2 3.82Å; N181-F186 HydrophobicContact CB-CG 4.18Å
182R94.4Very high97.2Very high172 Ų17229.8 Ų29.865%0.64914%0.135SC*.SBendtrans-63.1-20.3-175.3-61.5-177.3-172.8150.97113.2D73 I180D73-R182 IonicContact OD1-CZ 3.7Å; D73-R182 IonicContact OD1-NH1 2.7Å; D73-R182 PolarHBondContact OD1-NH1 3.18Å; I180-R182 PolarHBondContact O-N 2.86Å
183H94.4Very high97.2Very high26 Ų2629.9 Ų29.912%0.1214%0.136CC..SBendtrans-61.2126.2177.6-170.2-77.5000110.5L4 S5 N181 R185 F186L4-H183 WeakPolarHBondContact CB-NE2 3.33Å; L4-H183 HydrophobicContact CD1-CB 4.21Å; S5-H183 PolarHBondContact O-CE1 3.14Å; S5-H183 PolarHBondContact O-NE2 2.97Å; N181-H183 PolarHBondContact O-N 3.31Å; N181-H183 VanDerWaalsContact O-N 3.16Å; N181-H183 PolarHBondContact OD1-N 3.49Å; H183-R185 VanDerWaalsContact ND1-CB 3.34Å; H183-R185 WeakPolarHBondContact ND1-CB 3.37Å; H183-R185 PolarHBondContact ND1-N 3.31Å; H183-R185 PolarHBondContact O-N 3.43Å; H183-F186 HydrophobicContact CB-CD2 3.79Å; H183-F186 HydrophobicContact CB-CE2 3.82Å; H183-F186 PolarHBondContact O-N 3.22Å
184P93.6Very high97.2Very high44 Ų4429.9 Ų29.929%0.28613%0.134SC..Hα-helixtrans-57.8-25.7-168.9-25.231.8000115.3P9 F186 S187 T188P9-P184 HydrophobicContact CG-CB 3.83Å; P184-F186 VanDerWaalsContact C-N 3.31Å; P184-F186 PolarHBondContact O-N 3.43Å; P184-S187 PolarHBondContact O-OG 3.49Å; P184-T188 WeakPolarHBondContact O-CB 3.47Å; P184-T188 PolarHBondContact O-N 3.4Å; P184-T188 PolarHBondContact O-OG1 3.49Å
185R94.3Very high97.2Very high64 Ų6432.1 Ų32.124%0.24215%0.145CC..Hα-helixtrans-50.3-46.8173.6-179.9178.1176.6121.8-0.5112.7L4 H183 L189 F384 S404L4-R185 VanDerWaalsContact CD2-CD 3.42Å; H183-R185 VanDerWaalsContact ND1-CB 3.34Å; H183-R185 WeakPolarHBondContact ND1-CB 3.37Å; H183-R185 PolarHBondContact ND1-N 3.31Å; H183-R185 PolarHBondContact O-N 3.43Å; R185-L189 VanDerWaalsContact O-CB 3.26Å; R185-L189 WeakPolarHBondContact O-CB 3.45Å; R185-L189 PolarHBondContact O-N 2.87Å; R185-F384 HydrophobicContact CB-CZ 4.31Å; R185-S404 PolarHBondContact NH2-OG 3.49Å
186F96.8Very high97.2Very high17 Ų1732.6 Ų32.68%0.07515%0.147CC..Hα-helixtrans-74.7-43.8-168.6-60-69.8000112.5L4 P95 Y97 I180 N181 H183 P184 T188 L189 T190L4-F186 HydrophobicContact CD1-CE2 3.68Å; L4-F186 HydrophobicContact CD1-CZ 3.74Å; P95-F186 HydrophobicContact CB-CE2 4.35Å; Y97-F186 HydrophobicContact CD2-CB 4.2Å; Y97-F186 HydrophobicContact CD2-CD1 4.13Å; I180-F186 HydrophobicContact CG2-CB 3.7Å; N181-F186 HydrophobicContact CB-CD2 3.5Å; N181-F186 VanDerWaalsContact CB-CD2 3.5Å; N181-F186 HydrophobicContact CB-CE2 3.82Å; N181-F186 HydrophobicContact CB-CG 4.18Å; H183-F186 HydrophobicContact CB-CD2 3.79Å; H183-F186 HydrophobicContact CB-CE2 3.82Å; H183-F186 PolarHBondContact O-N 3.22Å; P184-F186 VanDerWaalsContact C-N 3.31Å; P184-F186 PolarHBondContact O-N 3.43Å; F186-T188 VanDerWaalsContact C-N 3.33Å; F186-L189 PolarHBondContact O-N 3.39Å; F186-T190 PolarHBondContact O-N 2.84Å; F186-T190 PolarHBondContact O-OG1 2.97Å
187S96.8Very high97.2Very high35 Ų3533.2 Ų33.225%0.24515%0.149CC..Hα-helixtrans-66.5-37.8174.258.60000111.6V169 P184 T190 R191V169-S187 VanDerWaalsContact CG1-O 3.23Å; V169-S187 WeakPolarHBondContact CG1-O 3.39Å; P184-S187 PolarHBondContact O-OG 3.49Å; S187-T190 PolarHBondContact O-N 3.22Å; S187-R191 WeakPolarHBondContact O-CB 3.36Å; S187-R191 PolarHBondContact O-N 3.44Å
188T96.6Very high97.1Very high1 Ų135.1 Ų35.11%0.00618%0.175CC..Hα-helixtrans-62.6-47174.9-60.80000111.7P9 L10 P184 F186 T190 R191 N192P9-T188 HydrophobicContact CB-CG2 3.73Å; P9-T188 WeakPolarHBondContact CB-OG1 3.35Å; P9-T188 WeakPolarHBondContact CG-OG1 3.48Å; L10-T188 WeakPolarHBondContact O-CG2 3.29Å; P184-T188 WeakPolarHBondContact O-CB 3.47Å; P184-T188 PolarHBondContact O-N 3.4Å; P184-T188 PolarHBondContact O-OG1 3.49Å; F186-T188 VanDerWaalsContact C-N 3.33Å; T188-T190 PolarHBondContact O-N 2.95Å; T188-R191 PolarHBondContact O-N 3.46Å; T188-N192 WeakPolarHBondContact CG2-ND2 3.22Å; T188-N192 VanDerWaalsContact O-CB 3.24Å; T188-N192 WeakPolarHBondContact O-CB 3.5Å; T188-N192 VanDerWaalsContact O-CG 3.24Å; T188-N192 PolarHBondContact O-N 2.94Å
189L97.6Very high97Very high5 Ų533.4 Ų33.43%0.02617%0.167CC..Hα-helixtrans-60.6-47178-175.156.5000111.2R185 F186 R191 N192 I193 M242 L381 W407R185-L189 VanDerWaalsContact O-CB 3.26Å; R185-L189 WeakPolarHBondContact O-CB 3.45Å; R185-L189 PolarHBondContact O-N 2.87Å; F186-L189 PolarHBondContact O-N 3.39Å; L189-R191 PolarHBondContact O-N 2.82Å; L189-N192 PolarHBondContact O-N 3.42Å; L189-I193 HydrophobicContact CD1-CD1 3.94Å; L189-I193 HydrophobicContact CD1-CG1 4.2Å; L189-I193 HydrophobicContact CG-CD1 3.96Å; L189-I193 WeakPolarHBondContact O-CB 3.35Å; L189-I193 WeakPolarHBondContact O-CG1 3.49Å; L189-I193 PolarHBondContact O-N 3.5Å; L189-M242 HydrophobicContact CD2-CE 3.56Å; L189-M242 HydrophobicContact CG-CE 3.88Å; L189-M242 HydrophobicContact CG-SD 4.21Å; L189-L381 HydrophobicContact CD1-CB 3.46Å; L189-L381 VanDerWaalsContact CD1-CB 3.46Å; L189-L381 HydrophobicContact CD1-CD1 3.71Å; L189-L381 HydrophobicContact CD1-CG 4.28Å; L189-W407 HydrophobicContact CD1-CH2 4.39Å; L189-W407 HydrophobicContact CD2-CH2 3.84Å; L189-W407 HydrophobicContact CD2-CZ2 4.1Å
190T98.5Very high96.9Very high7 Ų733.6 Ų33.64%0.04317%0.168CC..Hα-helixtrans-56.3-50.8177-54.90000111.8Y97 V169 I180 F186 S187 T188 R194 M242Y97-T190 WeakPolarHBondContact CE2-OG1 3.45Å; Y97-T190 PolarHBondContact OH-OG1 3.47Å; V169-T190 HydrophobicContact CG1-CG2 3.91Å; I180-T190 HydrophobicContact CD1-CG2 4.15Å; F186-T190 PolarHBondContact O-N 2.84Å; F186-T190 PolarHBondContact O-OG1 2.97Å; S187-T190 PolarHBondContact O-N 3.22Å; T188-T190 PolarHBondContact O-N 2.95Å; T190-R194 PolarHBondContact O-N 2.86Å; T190-M242 HydrophobicContact CG2-CB 4.25Å
191R97.9Very high96.9Very high83 Ų8333.7 Ų33.731%0.31317%0.169SC..Hα-helixtrans-64-50.8179.3-177.6176.358.6-165-4.2110.7V169 S187 T188 L189 I193 R194 H195V169-R191 HydrophobicContact CG1-CB 4.38Å; S187-R191 WeakPolarHBondContact O-CB 3.36Å; S187-R191 PolarHBondContact O-N 3.44Å; T188-R191 PolarHBondContact O-N 3.46Å; L189-R191 PolarHBondContact O-N 2.82Å; R191-I193 VanDerWaalsContact C-N 3.32Å; R191-I193 PolarHBondContact O-N 3.25Å; R191-R194 WeakPolarHBondContact O-CB 3.3Å; R191-R194 PolarHBondContact O-N 2.97Å; R191-R194 VanDerWaalsContact O-N 3.11Å; R191-H195 VanDerWaalsContact CG-CD2 3.4Å; R191-H195 WeakPolarHBondContact CG-CD2 3.3Å; R191-H195 PolarHBondContact O-CD2 2.75Å; R191-H195 PolarHBondContact O-N 2.72Å
192N98.4Very high97Very high0 Ų034.7 Ų34.70%018%0.176CC..Hα-helixtrans-66-33.8-174.3-70.8-0.8000112.3L10 W12 T188 L189 R196 L381L10-N192 PolarHBondContact O-ND2 3.1Å; L10-N192 VanDerWaalsContact O-ND2 3.13Å; W12-N192 HydrophobicContact CB-CB 4.41Å; W12-N192 PolarHBondContact N-OD1 2.89Å; T188-N192 WeakPolarHBondContact CG2-ND2 3.22Å; T188-N192 VanDerWaalsContact O-CB 3.24Å; T188-N192 WeakPolarHBondContact O-CB 3.5Å; T188-N192 VanDerWaalsContact O-CG 3.24Å; T188-N192 PolarHBondContact O-N 2.94Å; L189-N192 PolarHBondContact O-N 3.42Å; N192-R196 WeakPolarHBondContact O-CB 3.25Å; N192-R196 PolarHBondContact O-N 3.1Å; N192-L381 HydrophobicContact CB-CD2 4.44Å; N192-L381 WeakPolarHBondContact CB-O 3.43Å; N192-L381 PolarHBondContact ND2-O 2.79Å
193I98.6Very high97.2Very high2 Ų226.7 Ų26.71%0.0115%0.146CC..Hα-helixtrans-58.4-52.4170-71.8168.8000110.5L189 R191 H195 R196 R197 V201 M242 V305 D307 L381L189-I193 HydrophobicContact CD1-CD1 3.94Å; L189-I193 HydrophobicContact CD1-CG1 4.2Å; L189-I193 HydrophobicContact CG-CD1 3.96Å; L189-I193 WeakPolarHBondContact O-CB 3.35Å; L189-I193 WeakPolarHBondContact O-CG1 3.49Å; L189-I193 PolarHBondContact O-N 3.5Å; R191-I193 VanDerWaalsContact C-N 3.32Å; R191-I193 PolarHBondContact O-N 3.25Å; I193-H195 PolarHBondContact O-N 2.68Å; I193-R196 PolarHBondContact O-N 2.74Å; I193-R197 WeakPolarHBondContact O-CB 3.33Å; I193-R197 PolarHBondContact O-N 3.15Å; I193-V201 HydrophobicContact CG2-CG1 3.76Å; I193-M242 HydrophobicContact CD1-SD 3.94Å; I193-V305 HydrophobicContact CD1-CB 3.89Å; I193-V305 HydrophobicContact CD1-CG1 3.96Å; I193-D307 HydrophobicContact CB-CB 4.48Å; I193-D307 HydrophobicContact CG1-CB 4.31Å; I193-D307 HydrophobicContact CG2-CB 4.09Å; I193-L381 HydrophobicContact CD1-CD1 4.21Å; I193-L381 HydrophobicContact CG1-CD1 3.54Å
194R98Very high97.4Very high18 Ų1827.4 Ų27.47%0.06815%0.15CC..Hα-helixtrans-59.6-46.8-179.5-179.9176.763.173.2-8.3111.9E166 G168 V169 T190 R191 R197 G198 E199E166-R194 VanDerWaalsContact CD-NH1 3.33Å; E166-R194 IonicContact OE1-CZ 2.87Å; E166-R194 IonicContact OE1-NH1 2.7Å; E166-R194 PolarHBondContact OE1-NH1 3.13Å; E166-R194 IonicContact OE1-NH2 3.93Å; E166-R194 PolarHBondContact OE1-NH2 3.23Å; E166-R194 IonicContact OE2-NH1 3.43Å; E166-R194 PolarHBondContact OE2-NH1 3.15Å; G168-R194 PolarHBondContact O-NH2 3.06Å; V169-R194 PolarHBondContact O-NE 3.01Å; T190-R194 PolarHBondContact O-N 2.86Å; R191-R194 WeakPolarHBondContact O-CB 3.3Å; R191-R194 PolarHBondContact O-N 2.97Å; R191-R194 VanDerWaalsContact O-N 3.11Å; R194-R197 PolarHBondContact O-N 3.35Å; R194-G198 PolarHBondContact O-N 3Å; R194-E199 PolarHBondContact O-N 3.47Å
195H97.8Very high97.6Very high71 Ų7125.5 Ų25.533%0.32914%0.138SC..Hα-helixtrans-68.4-40.4179.7-78.8-95000112.6W12 E166 R191 I193 G198W12-H195 HydrophobicContact CB-CB 3.68Å; W12-H195 HydrophobicContact CG-CB 3.9Å; E166-H195 IonicContact OE1-CE1 2.75Å; E166-H195 PolarHBondContact OE1-CE1 3.08Å; E166-H195 IonicContact OE1-NE2 3.15Å; E166-H195 PolarHBondContact OE1-NE2 3.33Å; R191-H195 VanDerWaalsContact CG-CD2 3.4Å; R191-H195 WeakPolarHBondContact CG-CD2 3.3Å; R191-H195 PolarHBondContact O-CD2 2.75Å; R191-H195 PolarHBondContact O-N 2.72Å; I193-H195 PolarHBondContact O-N 2.68Å; H195-G198 PolarHBondContact O-N 3.04Å
196R98Very high97.8Very high11 Ų1124.4 Ų24.44%0.04214%0.139CC..Hα-helixtrans-61.7-47.8173.9177.7178.5-173.4-68.9-3.2111.3W12 N192 I193 G198 D307 T309 E312 D379 L381W12-R196 HydrophobicContact CD2-CB 3.93Å; W12-R196 HydrophobicContact CE3-CB 4.08Å; W12-R196 HydrophobicContact CH2-CB 3.97Å; W12-R196 HydrophobicContact CH2-CG 3.64Å; W12-R196 HydrophobicContact CZ2-CB 3.79Å; W12-R196 HydrophobicContact CZ2-CG 3.62Å; W12-R196 HydrophobicContact CZ3-CB 4.11Å; W12-R196 HydrophobicContact CZ3-CG 4.17Å; N192-R196 WeakPolarHBondContact O-CB 3.25Å; N192-R196 PolarHBondContact O-N 3.1Å; I193-R196 PolarHBondContact O-N 2.74Å; R196-G198 VanDerWaalsContact C-N 3.25Å; R196-G198 PolarHBondContact O-N 2.85Å; R196-D307 WeakPolarHBondContact CD-OD2 3.45Å; R196-D307 IonicContact CZ-OD2 2.97Å; R196-D307 IonicContact NE-OD2 3.27Å; R196-D307 PolarHBondContact NH1-O 3.04Å; R196-D307 IonicContact NH1-OD1 3.56Å; R196-D307 IonicContact NH1-OD2 3.6Å; R196-T309 WeakPolarHBondContact O-CG2 3.48Å; R196-E312 IonicContact CZ-OE1 3.99Å; R196-E312 IonicContact CZ-OE2 3.68Å; R196-E312 IonicContact NH1-OE1 3.62Å; R196-E312 IonicContact NH1-OE2 2.71Å; R196-E312 PolarHBondContact NH1-OE2 3.39Å; R196-E312 IonicContact NH2-OE1 2.65Å; R196-E312 PolarHBondContact NH2-OE1 2.86Å; R196-E312 IonicContact NH2-OE2 3.81Å; R196-E312 PolarHBondContact NH2-OE2 3.37Å; R196-D379 IonicContact CZ-OD2 2.7Å; R196-D379 VanDerWaalsContact CZ-OD2 3.27Å; R196-D379 IonicContact NE-OD2 3.82Å; R196-D379 PolarHBondContact NE-OD2 2.68Å; R196-D379 IonicContact NH2-OD2 3.28Å; R196-D379 PolarHBondContact NH2-OD2 3.15Å; R196-L381 HydrophobicContact CB-CD2 4.44Å
197R97.9Very high97.9Very high14 Ų1423.8 Ų23.85%0.05314%0.136CC..Hα-helixtrans-63.9-32.7-179.7-170.7-176.4173.395.1-3.3111.8I193 R194 E199 K200 D306 D307 R313I193-R197 WeakPolarHBondContact O-CB 3.33Å; I193-R197 PolarHBondContact O-N 3.15Å; R194-R197 PolarHBondContact O-N 3.35Å; R197-E199 VanDerWaalsContact C-N 3.28Å; R197-E199 WeakPolarHBondContact CD-O 3.17Å; R197-E199 HydrophobicContact CG-CG 3.83Å; R197-E199 IonicContact CZ-OE1 2.84Å; R197-E199 IonicContact NE-OE1 2.58Å; R197-E199 IonicContact NH2-OE1 3.62Å; R197-K200 WeakPolarHBondContact CD-O 3.17Å; R197-K200 PolarHBondContact NE-O 3.2Å; R197-K200 VanDerWaalsContact NE-O 3.13Å; R197-D306 WeakPolarHBondContact CD-O 3.43Å; R197-D306 PolarHBondContact NH1-O 3.5Å; R197-D306 IonicContact NH1-OD1 3.35Å; R197-D306 IonicContact NH1-OD2 3.5Å; R197-D306 PolarHBondContact NH1-OD2 2.88Å; R197-D306 VanDerWaalsContact NH1-OD2 3.15Å; R197-D307 WeakPolarHBondContact CA-O 3.32Å; R197-R313 VanDerWaalsContact NH2-NH1 3.11Å
198G96.4Very high98Very high68 Ų6825 Ų2570%0.70114%0.136SC*.THydrogen-bonded Turntrans81.94.4-176.500000114.1R194 H195 R196R194-G198 PolarHBondContact O-N 3Å; H195-G198 PolarHBondContact O-N 3.04Å; R196-G198 VanDerWaalsContact C-N 3.25Å; R196-G198 PolarHBondContact O-N 2.85Å
199E96Very high98.1Very high44 Ų4430 Ų3021%0.20616%0.158CC..SBendtrans-155.8164.2178.954.9-176.2-148.900107.7R194 R197 E227 Q310 R313R194-E199 PolarHBondContact O-N 3.47Å; R197-E199 VanDerWaalsContact C-N 3.28Å; R197-E199 WeakPolarHBondContact CD-O 3.17Å; R197-E199 HydrophobicContact CG-CG 3.83Å; R197-E199 IonicContact CZ-OE1 2.84Å; R197-E199 IonicContact NE-OE1 2.58Å; R197-E199 IonicContact NH2-OE1 3.62Å; E199-E227 WeakPolarHBondContact CA-OE1 3.46Å; E199-E227 WeakPolarHBondContact CB-OE1 3.47Å; E199-Q310 PolarHBondContact OE2-NE2 2.97Å; E199-R313 IonicContact OE1-CZ 3.93Å; E199-R313 VanDerWaalsContact OE1-CZ 3.29Å; E199-R313 IonicContact OE1-NH1 2.77Å; E199-R313 PolarHBondContact OE1-NH1 2.91Å; E199-R313 IonicContact OE1-NH2 3.76Å; E199-R313 PolarHBondContact OE1-NH2 3.42Å
200K97.9Very high98.1Very high5 Ų531.5 Ų31.52%0.02217%0.166CC..  trans-58.6156.1169.8-68.4-175.4-66.1-179.40110.2K171 R197 E227 D240K171-K200 HydrophobicContact CB-CD 4.24Å; K171-K200 HydrophobicContact CB-CG 4.48Å; K171-K200 HydrophobicContact CD-CD 4.46Å; K171-K200 WeakPolarHBondContact O-CD 3.37Å; R197-K200 WeakPolarHBondContact CD-O 3.17Å; R197-K200 PolarHBondContact NE-O 3.2Å; R197-K200 VanDerWaalsContact NE-O 3.13Å; K200-E227 WeakPolarHBondContact CB-OE1 3.49Å; K200-E227 PolarHBondContact N-OE1 2.65Å; K200-D240 HydrophobicContact CD-CB 4.33Å; K200-D240 IonicContact NZ-OD2 3.35Å; K200-D240 PolarHBondContact NZ-OD2 3.31Å
201V98.4Very high98.1Very high8 Ų839 Ų395%0.04820%0.198CC..  trans-63147.3164.1-64.60000109I193 D240 S304I193-V201 HydrophobicContact CG2-CG1 3.76Å; V201-D240 WeakPolarHBondContact O-CA 3.47Å; V201-S304 WeakPolarHBondContact CG1-O 3.18Å
202V98.4Very high98.1Very high34 Ų3439.3 Ų39.321%0.20621%0.206CC..  trans-126.4117.8-175.2172.40000107.9N204 A231 Y238V202-N204 WeakPolarHBondContact CG1-ND2 3.22Å; V202-A231 HydrophobicContact CG1-CB 3.99Å; V202-A231 HydrophobicContact CG2-CB 3.75Å; V202-Y238 HydrophobicContact CG1-CE2 4.16Å
203I98.8Very high98.1Very high4 Ų440 Ų402%0.02121%0.21CC..EExtended strand (participates in β ladder)trans-123.3116.3179.9-44170.3000107.4V205 M239 F244 V300 A303I203-V205 HydrophobicContact CG2-CG2 4.08Å; I203-M239 HydrophobicContact CB-CB 4.04Å; I203-M239 HydrophobicContact CB-CE 4.42Å; I203-M239 WeakPolarHBondContact CB-O 3.28Å; I203-M239 HydrophobicContact CD1-CB 4.23Å; I203-M239 HydrophobicContact CG2-CE 3.81Å; I203-M239 PolarHBondContact N-O 3.46Å; I203-M239 PolarHBondContact O-N 3.01Å; I203-F244 HydrophobicContact CD1-CB 3.88Å; I203-V300 HydrophobicContact CD1-CG1 4.44Å; I203-V300 HydrophobicContact CG2-CB 4.42Å; I203-V300 HydrophobicContact CG2-CG1 4.16Å; I203-V300 HydrophobicContact CG2-CG2 4.39Å; I203-A303 HydrophobicContact CB-CB 4.26Å; I203-A303 HydrophobicContact CG1-CB 3.82Å; I203-A303 HydrophobicContact CG2-CB 4.13Å
204N98.6Very high98Very high40 Ų4043.4 Ų43.421%0.21423%0.232CC..EExtended strand (participates in β ladder)trans-117.2108.6175.5-77.6-69.8000108.1V202 A231 L233 H236V202-N204 WeakPolarHBondContact CG1-ND2 3.22Å; N204-A231 PolarHBondContact ND2-O 3.28Å; N204-L233 HydrophobicContact CB-CB 4.48Å; N204-L233 HydrophobicContact CB-CD1 4Å; N204-L233 HydrophobicContact CB-CG 4.3Å; N204-L233 PolarHBondContact OD1-N 3.08Å; N204-H236 HydrophobicContact CB-CB 3.91Å
205V98.7Very high97.9Very high4 Ų446.4 Ų46.42%0.02426%0.256CS..EExtended strand (participates in β ladder)trans-102.3126179.3175.50000108.7I203 I207 H236 I237 M239 Y287 S292 I294 V300I203-V205 HydrophobicContact CG2-CG2 4.08Å; V205-I207 PolarHBondContact O-N 3.02Å; V205-H236 CarbonylContact O-C 3.26Å; V205-H236 WeakPolarHBondContact O-CA 3.45Å; V205-H236 WeakPolarHBondContact O-CB 3.32Å; V205-I237 HydrophobicContact CB-CB 4.39Å; V205-I237 HydrophobicContact CG1-CD1 4.47Å; V205-I237 PolarHBondContact N-O 3.31Å; V205-I237 PolarHBondContact O-N 3.11Å; V205-M239 HydrophobicContact CB-CE 4.38Å; V205-M239 HydrophobicContact CG2-CE 3.49Å; V205-M239 VanDerWaalsContact CG2-CE 3.49Å; V205-Y287 HydrophobicContact CG1-CD2 4.05Å; V205-S292 VanDerWaalsContact CG1-CB 3.43Å; V205-I294 HydrophobicContact CG1-CD1 3.6Å; V205-I294 HydrophobicContact CG1-CG1 3.73Å; V205-I294 HydrophobicContact CG2-CD1 4.31Å; V205-V300 HydrophobicContact CG2-CG2 3.48Å; V205-V300 VanDerWaalsContact CG2-CG2 3.48Å
206P98.6Very high97.8Very high41 Ų4147 Ų4727%0.26627%0.266SS..EExtended strand (participates in β ladder)trans-58.1132.1-179.925.7-35.1000110.3S292 D293 I294P206-S292 CarbonylContact O-C 3.39Å; P206-S292 WeakPolarHBondContact O-CA 3.45Å; P206-D293 HydrophobicContact CB-CB 4.01Å; P206-D293 HydrophobicContact CG-CB 4.05Å; P206-D293 PolarHBondContact O-N 3.17Å; P206-I294 HydrophobicContact CG-CG2 3.92Å
207I98.7Very high97.8Very high4 Ų447.2 Ų47.22%0.02127%0.267CS..BIsolated β-bridgetrans-77.9144.8177.5-164.2172.7000110.2V205 K209 T213 F217 D235 I237 Y290 M291V205-I207 PolarHBondContact O-N 3.02Å; I207-K209 PolarHBondContact O-N 3.25Å; I207-T213 HydrophobicContact CD1-CG2 3.92Å; I207-T213 HydrophobicContact CG1-CG2 4.39Å; I207-T213 HydrophobicContact CG2-CG2 4.32Å; I207-F217 HydrophobicContact CB-CD1 4.41Å; I207-F217 HydrophobicContact CD1-CB 4.32Å; I207-F217 HydrophobicContact CD1-CD1 3.78Å; I207-F217 HydrophobicContact CD1-CD2 3.47Å; I207-F217 VanDerWaalsContact CD1-CD2 3.47Å; I207-F217 HydrophobicContact CD1-CE1 3.84Å; I207-F217 HydrophobicContact CD1-CE2 3.54Å; I207-F217 HydrophobicContact CD1-CG 3.59Å; I207-F217 HydrophobicContact CD1-CZ 3.72Å; I207-F217 HydrophobicContact CG2-CB 3.89Å; I207-F217 HydrophobicContact CG2-CD1 4.25Å; I207-F217 HydrophobicContact CG2-CG 4.14Å; I207-D235 WeakPolarHBondContact CG2-O 3.23Å; I207-D235 PolarHBondContact N-O 3.23Å; I207-I237 HydrophobicContact CB-CG1 4.14Å; I207-I237 HydrophobicContact CG1-CD1 4.41Å; I207-I237 HydrophobicContact CG1-CG1 4.13Å; I207-Y290 HydrophobicContact CD1-CD1 4.27Å; I207-M291 WeakPolarHBondContact CG1-O 3.43Å
208Y98.6Very high97.7Very high60 Ų6050.7 Ų50.724%0.23529%0.29CS..PPolyproline II helixtrans-64.2129.2167.5178-128.9000110.1D210 T213 M291 S594Y208-D210 HydrophobicContact CD1-CB 3.84Å; Y208-D210 HydrophobicContact CE1-CB 3.48Å; Y208-D210 VanDerWaalsContact CE1-CB 3.48Å; Y208-D210 PolarHBondContact O-N 2.83Å; Y208-T213 WeakPolarHBondContact O-CG2 3.32Å; Y208-T213 PolarHBondContact O-OG1 3.36Å; Y208-T213 VanDerWaalsContact O-OG1 3.09Å; Y208-M291 VanDerWaalsContact CB-O 3.3Å; Y208-M291 WeakPolarHBondContact CB-O 3.49Å; Y208-M291 HydrophobicContact CD1-CB 4.29Å; Y208-M291 HydrophobicContact CD1-CG 3.9Å; Y208-M291 HydrophobicContact CD1-SD 3.38Å; Y208-M291 WeakPolarHBondContact CD1-SD 3.18Å; Y208-M291 HydrophobicContact CE1-SD 3.85Å; Y208-M291 HydrophobicContact CG-CG 4.08Å; Y208-M291 HydrophobicContact CG-SD 4Å; Y208-M291 PolarHBondContact N-O 3.39Å; Y208-S594 WeakPolarHBondContact CD1-OG 3.45Å; Y208-S594 PolarHBondContact O-OG 3.24Å
209K98.1Very high97.6Very high108 Ų10848.7 Ų48.747%0.4726%0.262SS..  trans-96.986.6176.7-64.6-171.6177.9-168.50109.9I207 S215 D235I207-K209 PolarHBondContact O-N 3.25Å; K209-S215 PolarHBondContact NZ-OG 2.95Å; K209-S215 VanDerWaalsContact NZ-OG 3.15Å; K209-D235 WeakPolarHBondContact CE-OD1 3.43Å; K209-D235 WeakPolarHBondContact CE-OD2 3.35Å; K209-D235 IonicContact NZ-OD1 3.26Å; K209-D235 PolarHBondContact NZ-OD1 3.14Å; K209-D235 IonicContact NZ-OD2 3.05Å; K209-D235 PolarHBondContact NZ-OD2 3.05Å
210D97.8Very high97.5Very high35 Ų3554.1 Ų54.119%0.18729%0.288CS..  trans-85.6177.1170.8-154.3-17000110.7Y208 N212 T213 Y590 Q592Y208-D210 HydrophobicContact CD1-CB 3.84Å; Y208-D210 HydrophobicContact CE1-CB 3.48Å; Y208-D210 VanDerWaalsContact CE1-CB 3.48Å; Y208-D210 PolarHBondContact O-N 2.83Å; D210-N212 VanDerWaalsContact C-N 3.26Å; D210-N212 PolarHBondContact O-N 3.49Å; D210-N212 VanDerWaalsContact O-N 3.16Å; D210-T213 PolarHBondContact N-OG1 2.81Å; D210-T213 PolarHBondContact O-N 2.9Å; D210-T213 VanDerWaalsContact O-N 3.11Å; D210-Y590 WeakPolarHBondContact OD2-CE1 3.44Å; D210-Y590 VanDerWaalsContact OD2-CZ 3.29Å; D210-Y590 PolarHBondContact OD2-OH 2.73Å; D210-Q592 VanDerWaalsContact CB-O 3.3Å; D210-Q592 WeakPolarHBondContact CB-O 3.26Å; D210-Q592 WeakPolarHBondContact OD2-CA 3.44Å
211K98.1Very high97.3Very high164 Ų16455.3 Ų55.371%0.71329%0.293SS*.THydrogen-bonded Turntrans-53.2-39.5-171.9-172.2-175.8179.5-177.10114.1Q592K211-Q592 HydrophobicContact CB-CB 4.15Å; K211-Q592 VanDerWaalsContact CD-OE1 3.31Å; K211-Q592 PolarHBondContact N-O 2.79Å
212N98.4Very high96.9Very high91 Ų9161 Ų6149%0.48733%0.33SS..THydrogen-bonded Turntrans-111.48.2-177.6-58-33.5000112.4D210 P214 K591 Q592 D593D210-N212 VanDerWaalsContact C-N 3.26Å; D210-N212 PolarHBondContact O-N 3.49Å; D210-N212 VanDerWaalsContact O-N 3.16Å; N212-P214 WeakPolarHBondContact O-CD 3.15Å; N212-K591 PolarHBondContact ND2-O 3.01Å; N212-Q592 CarbonylContact C-O 3.4Å; N212-Q592 VanDerWaalsContact CA-O 3.32Å; N212-Q592 WeakPolarHBondContact CA-O 3.12Å; N212-Q592 WeakPolarHBondContact CB-O 3.21Å; N212-Q592 PolarHBondContact N-O 3.29Å; N212-D593 HydrophobicContact CB-CB 4.22Å
213T98.3Very high96.3Very high14 Ų1466 Ų669%0.08635%0.351CS..SBendtrans-65.8126.4170.5-56.60000108.1I207 Y208 D210 S215 Q592 S594I207-T213 HydrophobicContact CD1-CG2 3.92Å; I207-T213 HydrophobicContact CG1-CG2 4.39Å; I207-T213 HydrophobicContact CG2-CG2 4.32Å; Y208-T213 WeakPolarHBondContact O-CG2 3.32Å; Y208-T213 PolarHBondContact O-OG1 3.36Å; Y208-T213 VanDerWaalsContact O-OG1 3.09Å; D210-T213 PolarHBondContact N-OG1 2.81Å; D210-T213 PolarHBondContact O-N 2.9Å; D210-T213 VanDerWaalsContact O-N 3.11Å; T213-S215 PolarHBondContact O-N 3.43Å; T213-Q592 PolarHBondContact N-O 3.42Å; T213-S594 WeakPolarHBondContact OG1-CB 3.14Å; T213-S594 PolarHBondContact OG1-OG 3.29Å
214P97Very high96Very high74 Ų7467.1 Ų67.148%0.48136%0.357SS..  trans-54.8138.2173.7-24.634000111.2N212 P216 F217N212-P214 WeakPolarHBondContact O-CD 3.15Å; P214-P216 CarbonylContact O-C 3.46Å; P214-F217 WeakPolarHBondContact O-CA 3.4Å; P214-F217 WeakPolarHBondContact O-CB 3.26Å; P214-F217 PolarHBondContact O-N 3.28Å; P214-F217 VanDerWaalsContact O-N 3.08Å
215S94.7Very high95.6Very high81 Ų8169.8 Ų69.857%0.56637%0.371SS*.SBendtrans-135.9112.9171.6-156.40000110.2K209 T213 D235K209-S215 PolarHBondContact NZ-OG 2.95Å; K209-S215 VanDerWaalsContact NZ-OG 3.15Å; T213-S215 PolarHBondContact O-N 3.43Å; S215-D235 PolarHBondContact OG-OD1 2.62Å
216P96.3Very high95.3Very high82 Ų8270.6 Ų70.653%0.53238%0.38SS..SBendcis-68.5140.32.129.9-34.6000112.3P214 V218 P234 D235P214-P216 CarbonylContact O-C 3.46Å; P216-V218 HydrophobicContact CB-CG2 4Å; P216-V218 HydrophobicContact CG-CG2 4.07Å; P216-V218 PolarHBondContact O-N 3.14Å; P216-P234 HydrophobicContact CB-CB 4.1Å; P216-D235 VanDerWaalsContact CA-OD1 3.32Å; P216-D235 WeakPolarHBondContact CA-OD1 3.42Å
217F97.6Very high95Very high17 Ų1770 Ų708%0.07537%0.374CS..  trans-75119.4164.9173.8-97.3000108.1I207 P214 E219 P234 D235 H236 Y290I207-F217 HydrophobicContact CB-CD1 4.41Å; I207-F217 HydrophobicContact CD1-CB 4.32Å; I207-F217 HydrophobicContact CD1-CD1 3.78Å; I207-F217 HydrophobicContact CD1-CD2 3.47Å; I207-F217 VanDerWaalsContact CD1-CD2 3.47Å; I207-F217 HydrophobicContact CD1-CE1 3.84Å; I207-F217 HydrophobicContact CD1-CE2 3.54Å; I207-F217 HydrophobicContact CD1-CG 3.59Å; I207-F217 HydrophobicContact CD1-CZ 3.72Å; I207-F217 HydrophobicContact CG2-CB 3.89Å; I207-F217 HydrophobicContact CG2-CD1 4.25Å; I207-F217 HydrophobicContact CG2-CG 4.14Å; P214-F217 WeakPolarHBondContact O-CA 3.4Å; P214-F217 WeakPolarHBondContact O-CB 3.26Å; P214-F217 PolarHBondContact O-N 3.28Å; P214-F217 VanDerWaalsContact O-N 3.08Å; F217-E219 HydrophobicContact CD1-CG 4.12Å; F217-E219 VanDerWaalsContact CE1-CD 3.44Å; F217-E219 HydrophobicContact CE1-CG 3.28Å; F217-E219 HydrophobicContact CZ-CG 3.56Å; F217-E219 WeakPolarHBondContact CZ-OE1 3.5Å; F217-P234 CarbonylContact O-C 3.54Å; F217-P234 WeakPolarHBondContact O-CA 3.25Å; F217-D235 PolarHBondContact N-OD1 3.27Å; F217-D235 PolarHBondContact O-N 2.8Å; F217-H236 WeakPolarHBondContact CD1-O 3.2Å; F217-H236 WeakPolarHBondContact CE1-O 3.45Å; F217-Y290 HydrophobicContact CE2-CD1 4.41Å; F217-Y290 AromaticContact CE2-CE1 3.91Å; F217-Y290 HydrophobicContact CE2-CE1 3.91Å; F217-Y290 HydrophobicContact CZ-CD1 4.31Å; F217-Y290 AromaticContact CZ-CE1 3.88Å; F217-Y290 HydrophobicContact CZ-CE1 3.88Å; F217-Y290 HydrophobicContact CZ-CE2 4.11Å; F217-Y290 AromaticContact CZ-CZ 3.75Å
218V96.8Very high94.9Very high86 Ų8669.8 Ų69.852%0.52137%0.373SS..  trans-133123.5-177.3-178.20000108.8P216P216-V218 HydrophobicContact CB-CG2 4Å; P216-V218 HydrophobicContact CG-CG2 4.07Å; P216-V218 PolarHBondContact O-N 3.14Å
219E93.9Very high94.7Very high26 Ų2670 Ų7012%0.12139%0.387CS..  trans-90.7156-179.3-52.7-161.793.100111.2F217 F221 Y238 R288 Y290F217-E219 HydrophobicContact CD1-CG 4.12Å; F217-E219 VanDerWaalsContact CE1-CD 3.44Å; F217-E219 HydrophobicContact CE1-CG 3.28Å; F217-E219 HydrophobicContact CZ-CG 3.56Å; F217-E219 WeakPolarHBondContact CZ-OE1 3.5Å; E219-F221 HydrophobicContact CB-CE1 3.78Å; E219-F221 HydrophobicContact CB-CE2 4.36Å; E219-F221 HydrophobicContact CB-CZ 3.59Å; E219-Y238 WeakPolarHBondContact OE2-CB 3.49Å; E219-Y238 PolarHBondContact OE2-N 3.42Å; E219-R288 IonicContact OE1-CZ 3.12Å; E219-R288 IonicContact OE1-NE 3.31Å; E219-R288 IonicContact OE1-NH2 2.79Å; E219-R288 PolarHBondContact OE1-NH2 2.92Å; E219-R288 IonicContact OE2-NH2 3Å; E219-Y290 WeakPolarHBondContact OE1-CE2 3.38Å
220Q93.1Very high94.6Very high159 Ų15974 Ų7474%0.74340%0.399SS*.  trans-119.6138.3175.8-62.7-63.6-29.500109P222Q220-P222 WeakPolarHBondContact O-CD 3.48Å
221F95.1Very high94.5Very high29 Ų2973.4 Ų73.413%0.12740%0.399CS..  trans-125.283-176.4-47.8-64.2000110.6L173 F174 E219 E223 D224 A228 A232 Y238L173-F221 HydrophobicContact CD1-CB 4Å; L173-F221 HydrophobicContact CD1-CD1 4.15Å; L173-F221 HydrophobicContact CD1-CG 4.14Å; F174-F221 HydrophobicContact CE1-CD1 4.34Å; F174-F221 HydrophobicContact CE1-CE1 4.49Å; F174-F221 AromaticContact CZ-CD1 3.78Å; F174-F221 HydrophobicContact CZ-CD1 3.78Å; F174-F221 AromaticContact CZ-CE1 3.68Å; F174-F221 HydrophobicContact CZ-CE1 3.68Å; E219-F221 HydrophobicContact CB-CE1 3.78Å; E219-F221 HydrophobicContact CB-CE2 4.36Å; E219-F221 HydrophobicContact CB-CZ 3.59Å; F221-E223 PolarHBondContact O-N 3.39Å; F221-D224 HydrophobicContact CB-CB 3.55Å; F221-D224 WeakPolarHBondContact O-CB 3.29Å; F221-D224 PolarHBondContact O-N 3.41Å; F221-A228 HydrophobicContact CD2-CB 3.84Å; F221-A228 HydrophobicContact CE2-CB 4.18Å; F221-A228 HydrophobicContact CG-CB 4.14Å; F221-A232 HydrophobicContact CE2-CB 3.63Å; F221-A232 HydrophobicContact CZ-CB 3.89Å; F221-Y238 AromaticContact CE1-CD1 3.92Å; F221-Y238 HydrophobicContact CE1-CD1 3.92Å; F221-Y238 HydrophobicContact CE2-CD1 4.28Å; F221-Y238 AromaticContact CZ-CD1 3.62Å; F221-Y238 HydrophobicContact CZ-CD1 3.62Å; F221-Y238 HydrophobicContact CZ-CE1 4.48Å; F221-Y238 AromaticContact CZ-CG 4Å; F221-Y238 HydrophobicContact CZ-CG 4Å
222P89.3Confident94.5Very high129 Ų12966.9 Ų66.984%0.83838%0.376SS*.THydrogen-bonded Turntrans-62.3-27.5-175.2-24.835000114.6Q220Q220-P222 WeakPolarHBondContact O-CD 3.48Å
223E86.1Confident94.5Very high138 Ų13866.8 Ų66.865%0.64538%0.375SS*.THydrogen-bonded Turntrans-97.69.8-178-59-173.5177.700113F221F221-E223 PolarHBondContact O-N 3.39Å
224D91.6Very high94.5Very high28 Ų2869.7 Ų69.715%0.1539%0.394CS..  trans-81.5143.3-178.9-176.445.9000112.8L173 F221 G226 E227 A228 A229L173-D224 HydrophobicContact CD1-CB 4.07Å; L173-D224 HydrophobicContact CD2-CB 4.33Å; F221-D224 HydrophobicContact CB-CB 3.55Å; F221-D224 WeakPolarHBondContact O-CB 3.29Å; F221-D224 PolarHBondContact O-N 3.41Å; D224-G226 VanDerWaalsContact CG-N 3.25Å; D224-G226 PolarHBondContact O-N 3.08Å; D224-G226 WeakPolarHBondContact OD2-CA 3.21Å; D224-G226 PolarHBondContact OD2-N 2.98Å; D224-G226 VanDerWaalsContact OD2-N 3.08Å; D224-E227 PolarHBondContact OD1-N 2.84Å; D224-E227 PolarHBondContact OD2-N 2.78Å; D224-A228 HydrophobicContact CB-CB 4.31Å; D224-A228 VanDerWaalsContact CG-CB 3.46Å; D224-A228 VanDerWaalsContact CG-N 3.32Å; D224-A228 VanDerWaalsContact OD1-CB 3.27Å; D224-A228 WeakPolarHBondContact OD1-CB 3.47Å; D224-A228 PolarHBondContact OD1-N 3.41Å; D224-A228 PolarHBondContact OD2-N 3.38Å; D224-A228 VanDerWaalsContact OD2-N 3.07Å; D224-A229 WeakPolarHBondContact OD2-CB 3.46Å; D224-A229 PolarHBondContact OD2-N 3.2Å
225D90.1Very high94.6Very high96 Ų9668 Ų6851%0.51338%0.381SS..  trans-84.314172.367.1-0.2000112.6K171 E227K171-D225 VanDerWaalsContact CE-OD2 3.26Å; K171-D225 WeakPolarHBondContact CE-OD2 3.23Å; K171-D225 IonicContact NZ-OD2 2.74Å; K171-D225 PolarHBondContact NZ-OD2 2.72Å; D225-E227 WeakPolarHBondContact OD1-CB 3.37Å; D225-E227 PolarHBondContact OD1-N 3.27Å; D225-E227 VanDerWaalsContact OD1-N 3.13Å
226G92.4Very high94.8Very high20 Ų2066.5 Ų66.521%0.20637%0.365CS..SBendtrans91.3-8.6-176.300000114D224 R230D224-G226 VanDerWaalsContact CG-N 3.25Å; D224-G226 PolarHBondContact O-N 3.08Å; D224-G226 WeakPolarHBondContact OD2-CA 3.21Å; D224-G226 PolarHBondContact OD2-N 2.98Å; D224-G226 VanDerWaalsContact OD2-N 3.08Å; G226-R230 WeakPolarHBondContact O-CG 3.46Å; G226-R230 PolarHBondContact O-N 2.84Å; G226-R230 PolarHBondContact O-NE 3.15Å; G226-R230 PolarHBondContact O-NH1 3.13Å; G226-R230 PolarHBondContact O-NH2 3.15Å
227E94.3Very high94.9Very high29 Ų2962.6 Ų62.614%0.13634%0.34CS..Hα-helixtrans-65.7-48178.4-170.6176.6172.600112.2K171 E199 K200 D224 D225 R230 A231K171-E227 IonicContact NZ-OE2 2.71Å; K171-E227 PolarHBondContact NZ-OE2 2.85Å; E199-E227 WeakPolarHBondContact CA-OE1 3.46Å; E199-E227 WeakPolarHBondContact CB-OE1 3.47Å; K200-E227 WeakPolarHBondContact CB-OE1 3.49Å; K200-E227 PolarHBondContact N-OE1 2.65Å; D224-E227 PolarHBondContact OD1-N 2.84Å; D224-E227 PolarHBondContact OD2-N 2.78Å; D225-E227 WeakPolarHBondContact OD1-CB 3.37Å; D225-E227 PolarHBondContact OD1-N 3.27Å; D225-E227 VanDerWaalsContact OD1-N 3.13Å; E227-R230 PolarHBondContact O-N 3.11Å; E227-A231 WeakPolarHBondContact O-CB 3.19Å; E227-A231 PolarHBondContact O-N 3.07Å
228A95.4Very high94.9Very high0 Ų061.8 Ų61.80%034%0.336CS..Hα-helixtrans-67.1-42.8178.300000112.2L173 F221 D224 R230 A231 A232 Y238L173-A228 HydrophobicContact CD1-CB 3.45Å; L173-A228 VanDerWaalsContact CD1-CB 3.45Å; F221-A228 HydrophobicContact CD2-CB 3.84Å; F221-A228 HydrophobicContact CE2-CB 4.18Å; F221-A228 HydrophobicContact CG-CB 4.14Å; D224-A228 HydrophobicContact CB-CB 4.31Å; D224-A228 VanDerWaalsContact CG-CB 3.46Å; D224-A228 VanDerWaalsContact CG-N 3.32Å; D224-A228 VanDerWaalsContact OD1-CB 3.27Å; D224-A228 WeakPolarHBondContact OD1-CB 3.47Å; D224-A228 PolarHBondContact OD1-N 3.41Å; D224-A228 PolarHBondContact OD2-N 3.38Å; D224-A228 VanDerWaalsContact OD2-N 3.07Å; A228-R230 PolarHBondContact O-N 2.68Å; A228-A231 PolarHBondContact O-N 3.01Å; A228-A232 WeakPolarHBondContact O-CB 3.48Å; A228-A232 PolarHBondContact O-N 3.26Å; A228-Y238 WeakPolarHBondContact CA-OH 3.44Å; A228-Y238 HydrophobicContact CB-CD1 4.2Å; A228-Y238 HydrophobicContact CB-CE1 3.36Å
229A95.1Very high95Very high65 Ų6557.7 Ų57.754%0.53731%0.311SS..Hα-helixtrans-60.3-30.6179.200000113D224D224-A229 WeakPolarHBondContact OD2-CB 3.46Å; D224-A229 PolarHBondContact OD2-N 3.2Å
230R95.3Very high95.3Very high191 Ų19156.5 Ų56.572%0.72131%0.306SS*.Hα-helixtrans-80.1-27.8174.1-72.2-174.3-60.8-88.80.2113.5G226 E227 A228G226-R230 WeakPolarHBondContact O-CG 3.46Å; G226-R230 PolarHBondContact O-N 2.84Å; G226-R230 PolarHBondContact O-NE 3.15Å; G226-R230 PolarHBondContact O-NH1 3.13Å; G226-R230 PolarHBondContact O-NH2 3.15Å; E227-R230 PolarHBondContact O-N 3.11Å; A228-R230 PolarHBondContact O-N 2.68Å
231A96.8Very high95.5Very high23 Ų2349 Ų4919%0.1927%0.271CS..Hα-helixtrans-93.8-27.2-172.800000113.9V202 N204 E227 A228 Y238V202-A231 HydrophobicContact CG1-CB 3.99Å; V202-A231 HydrophobicContact CG2-CB 3.75Å; N204-A231 PolarHBondContact ND2-O 3.28Å; E227-A231 WeakPolarHBondContact O-CB 3.19Å; E227-A231 PolarHBondContact O-N 3.07Å; A228-A231 PolarHBondContact O-N 3.01Å; A231-Y238 HydrophobicContact CB-CE2 3.8Å
232A97.9Very high95.7Very high26 Ų2648 Ų4822%0.21527%0.267CS..PPolyproline II helixtrans-69136.7178.900000111.5F221 A228 Y238F221-A232 HydrophobicContact CE2-CB 3.63Å; F221-A232 HydrophobicContact CZ-CB 3.89Å; A228-A232 WeakPolarHBondContact O-CB 3.48Å; A228-A232 PolarHBondContact O-N 3.26Å; A232-Y238 HydrophobicContact CB-CD1 4.49Å; A232-Y238 HydrophobicContact CB-CD2 3.76Å; A232-Y238 HydrophobicContact CB-CE2 4.44Å; A232-Y238 HydrophobicContact CB-CG 3.78Å
233L98.2Very high96.1Very high90 Ų9041.9 Ų41.947%0.47123%0.227SC..PPolyproline II helixtrans-100.9142.8176.8-62.4178000110.8N204 H236N204-L233 HydrophobicContact CB-CB 4.48Å; N204-L233 HydrophobicContact CB-CD1 4Å; N204-L233 HydrophobicContact CB-CG 4.3Å; N204-L233 PolarHBondContact OD1-N 3.08Å; L233-H236 HydrophobicContact CB-CB 4.16Å; L233-H236 PolarHBondContact O-N 2.95Å
234P98.1Very high96.7Very high75 Ų7535.3 Ų35.349%0.48720%0.196SC..THydrogen-bonded Turntrans-55.7147.7167-22.232.7000111.3P216 F217 H236P216-P234 HydrophobicContact CB-CB 4.1Å; F217-P234 CarbonylContact O-C 3.54Å; F217-P234 WeakPolarHBondContact O-CA 3.25Å; P234-H236 PolarHBondContact O-N 2.91Å; P234-H236 PolarHBondContact O-ND1 2.98Å
235D98.4Very high97.1Very high37 Ų3734 Ų3420%0.19819%0.189CC..THydrogen-bonded Turntrans6122.2-177.1-62.8-43.9000114.6I207 K209 S215 P216 F217I207-D235 WeakPolarHBondContact CG2-O 3.23Å; I207-D235 PolarHBondContact N-O 3.23Å; K209-D235 WeakPolarHBondContact CE-OD1 3.43Å; K209-D235 WeakPolarHBondContact CE-OD2 3.35Å; K209-D235 IonicContact NZ-OD1 3.26Å; K209-D235 PolarHBondContact NZ-OD1 3.14Å; K209-D235 IonicContact NZ-OD2 3.05Å; K209-D235 PolarHBondContact NZ-OD2 3.05Å; S215-D235 PolarHBondContact OG-OD1 2.62Å; P216-D235 VanDerWaalsContact CA-OD1 3.32Å; P216-D235 WeakPolarHBondContact CA-OD1 3.42Å; F217-D235 PolarHBondContact N-OD1 3.27Å; F217-D235 PolarHBondContact O-N 2.8Å
236H98.7Very high97.5Very high51 Ų5130.4 Ų30.424%0.23617%0.169CC..EExtended strand (participates in β ladder)trans-130145.2175.6-62.869.3000111.4N204 V205 F217 L233 P234N204-H236 HydrophobicContact CB-CB 3.91Å; V205-H236 CarbonylContact O-C 3.26Å; V205-H236 WeakPolarHBondContact O-CA 3.45Å; V205-H236 WeakPolarHBondContact O-CB 3.32Å; F217-H236 WeakPolarHBondContact CD1-O 3.2Å; F217-H236 WeakPolarHBondContact CE1-O 3.45Å; L233-H236 HydrophobicContact CB-CB 4.16Å; L233-H236 PolarHBondContact O-N 2.95Å; P234-H236 PolarHBondContact O-N 2.91Å; P234-H236 PolarHBondContact O-ND1 2.98Å
237I98.8Very high97.8Very high0 Ų029.4 Ų29.40%016%0.16CC..EExtended strand (participates in β ladder)trans-76.5118.3164.7-54.3158.5000107V205 I207 R288 Y290V205-I237 HydrophobicContact CB-CB 4.39Å; V205-I237 HydrophobicContact CG1-CD1 4.47Å; V205-I237 PolarHBondContact N-O 3.31Å; V205-I237 PolarHBondContact O-N 3.11Å; I207-I237 HydrophobicContact CB-CG1 4.14Å; I207-I237 HydrophobicContact CG1-CD1 4.41Å; I207-I237 HydrophobicContact CG1-CG1 4.13Å; I237-R288 HydrophobicContact CG2-CB 3.87Å; I237-Y290 HydrophobicContact CG1-CD2 4.22Å; I237-Y290 HydrophobicContact CG1-CG 4.26Å; I237-Y290 HydrophobicContact CG2-CD2 3.98Å
238Y98.8Very high98Very high0 Ų028.2 Ų28.20%015%0.154CC..EExtended strand (participates in β ladder)trans-90.9134.1179.1177.3-102000112F174 V202 E219 F221 A228 A231 A232 D240 R288F174-Y238 AromaticContact CE2-CD1 3.84Å; F174-Y238 HydrophobicContact CE2-CD1 3.84Å; F174-Y238 HydrophobicContact CE2-CE1 4.11Å; F174-Y238 HydrophobicContact CZ-CD1 4.24Å; V202-Y238 HydrophobicContact CG1-CE2 4.16Å; E219-Y238 WeakPolarHBondContact OE2-CB 3.49Å; E219-Y238 PolarHBondContact OE2-N 3.42Å; F221-Y238 AromaticContact CE1-CD1 3.92Å; F221-Y238 HydrophobicContact CE1-CD1 3.92Å; F221-Y238 HydrophobicContact CE2-CD1 4.28Å; F221-Y238 AromaticContact CZ-CD1 3.62Å; F221-Y238 HydrophobicContact CZ-CD1 3.62Å; F221-Y238 HydrophobicContact CZ-CE1 4.48Å; F221-Y238 AromaticContact CZ-CG 4Å; F221-Y238 HydrophobicContact CZ-CG 4Å; A228-Y238 WeakPolarHBondContact CA-OH 3.44Å; A228-Y238 HydrophobicContact CB-CD1 4.2Å; A228-Y238 HydrophobicContact CB-CE1 3.36Å; A231-Y238 HydrophobicContact CB-CE2 3.8Å; A232-Y238 HydrophobicContact CB-CD1 4.49Å; A232-Y238 HydrophobicContact CB-CD2 3.76Å; A232-Y238 HydrophobicContact CB-CE2 4.44Å; A232-Y238 HydrophobicContact CB-CG 3.78Å; Y238-D240 HydrophobicContact CE1-CB 3.75Å; Y238-D240 WeakPolarHBondContact OH-CB 3.36Å; Y238-R288 VanDerWaalsContact O-CD 3.23Å; Y238-R288 WeakPolarHBondContact O-CD 3.22Å; Y238-R288 PolarHBondContact O-NE 2.91Å
239M98.8Very high98.1Very high0 Ų028.2 Ų28.20%015%0.154CC..EExtended strand (participates in β ladder)trans-140.3146175.8-67.3175.4-65.500109.7I203 V205 F244 Y287 R288 V300I203-M239 HydrophobicContact CB-CB 4.04Å; I203-M239 HydrophobicContact CB-CE 4.42Å; I203-M239 WeakPolarHBondContact CB-O 3.28Å; I203-M239 HydrophobicContact CD1-CB 4.23Å; I203-M239 HydrophobicContact CG2-CE 3.81Å; I203-M239 PolarHBondContact N-O 3.46Å; I203-M239 PolarHBondContact O-N 3.01Å; V205-M239 HydrophobicContact CB-CE 4.38Å; V205-M239 HydrophobicContact CG2-CE 3.49Å; V205-M239 VanDerWaalsContact CG2-CE 3.49Å; M239-F244 HydrophobicContact CB-CB 4.09Å; M239-F244 HydrophobicContact CB-CD1 4.05Å; M239-F244 HydrophobicContact CB-CD2 3.62Å; M239-F244 HydrophobicContact CB-CE1 4.3Å; M239-F244 HydrophobicContact CB-CE2 3.92Å; M239-F244 HydrophobicContact CB-CG 3.66Å; M239-F244 HydrophobicContact CB-CZ 4.24Å; M239-F244 HydrophobicContact CG-CB 4.41Å; M239-F244 HydrophobicContact CG-CD1 3.62Å; M239-F244 HydrophobicContact CG-CD2 4.09Å; M239-F244 HydrophobicContact CG-CE1 3.69Å; M239-F244 HydrophobicContact CG-CE2 4.17Å; M239-F244 HydrophobicContact CG-CG 3.8Å; M239-F244 HydrophobicContact CG-CZ 3.96Å; M239-F244 HydrophobicContact SD-CB 3.84Å; M239-F244 HydrophobicContact SD-CD1 3.2Å; M239-F244 WeakPolarHBondContact SD-CD1 3.36Å; M239-F244 HydrophobicContact SD-CD2 4.49Å; M239-F244 HydrophobicContact SD-CE1 3.74Å; M239-F244 HydrophobicContact SD-CG 3.62Å; M239-Y287 HydrophobicContact CE-CD1 3.97Å; M239-Y287 HydrophobicContact CE-CG 4.03Å; M239-Y287 HydrophobicContact SD-CD1 4.12Å; M239-Y287 HydrophobicContact SD-CG 4.36Å; M239-R288 HydrophobicContact CG-CB 4.26Å; M239-R288 HydrophobicContact SD-CB 4.37Å; M239-V300 HydrophobicContact CE-CG1 4.04Å; M239-V300 HydrophobicContact CE-CG2 4.38Å
240D98.4Very high98.3Very high1 Ų125.3 Ų25.31%0.00513%0.13CC..  trans-136.818.9-163.172.2-19.7000115.2S172 L173 F174 K200 V201 Y238S172-D240 WeakPolarHBondContact CA-OD2 3.09Å; S172-D240 WeakPolarHBondContact CB-OD1 3.39Å; S172-D240 PolarHBondContact OG-OD1 2.89Å; L173-D240 PolarHBondContact N-OD2 3.44Å; F174-D240 WeakPolarHBondContact CD2-OD1 3.27Å; K200-D240 HydrophobicContact CD-CB 4.33Å; K200-D240 IonicContact NZ-OD2 3.35Å; K200-D240 PolarHBondContact NZ-OD2 3.31Å; V201-D240 WeakPolarHBondContact O-CA 3.47Å; Y238-D240 HydrophobicContact CE1-CB 3.75Å; Y238-D240 WeakPolarHBondContact OH-CB 3.36Å
241A98.6Very high98.5Very high2 Ų216.2 Ų16.22%0.01710%0.095CC..SBendtrans-138.5149.4-175.300000112.6F175 G243 F244F175-A241 HydrophobicContact CB-CB 3.75Å; F175-A241 HydrophobicContact CG-CB 4.26Å; A241-G243 PolarHBondContact O-N 3.24Å; A241-F244 HydrophobicContact CB-CD2 3.79Å; A241-F244 HydrophobicContact CB-CE2 4.09Å; A241-F244 PolarHBondContact O-N 2.91Å; A241-F244 VanDerWaalsContact O-N 3.13Å
242M98.8Very high98.6Very high7 Ų715.6 Ų15.63%0.0349%0.088CC..THydrogen-bonded Turntrans-55.6-34.1174178.4172.217200112.6Y97 L189 T190 I193 F244 G245 M246 S304 V305Y97-M242 HydrophobicContact CD2-CE 3.5Å; Y97-M242 HydrophobicContact CD2-CG 4.2Å; Y97-M242 HydrophobicContact CD2-SD 4.06Å; Y97-M242 HydrophobicContact CE2-CB 4.14Å; Y97-M242 HydrophobicContact CE2-CE 3.62Å; Y97-M242 HydrophobicContact CE2-CG 3.56Å; Y97-M242 HydrophobicContact CE2-SD 3.5Å; Y97-M242 VanDerWaalsContact CE2-SD 3.5Å; L189-M242 HydrophobicContact CD2-CE 3.56Å; L189-M242 HydrophobicContact CG-CE 3.88Å; L189-M242 HydrophobicContact CG-SD 4.21Å; T190-M242 HydrophobicContact CG2-CB 4.25Å; I193-M242 HydrophobicContact CD1-SD 3.94Å; M242-F244 PolarHBondContact O-N 3.02Å; M242-G245 PolarHBondContact O-N 3.04Å; M242-M246 HydrophobicContact CE-CB 4.04Å; M242-M246 HydrophobicContact CE-CE 4.39Å; M242-M246 HydrophobicContact CE-CG 3.58Å; M242-M246 HydrophobicContact CE-SD 4.39Å; M242-M246 HydrophobicContact CG-CB 4.07Å; M242-M246 HydrophobicContact CG-CG 3.95Å; M242-M246 PolarHBondContact O-N 3.44Å; M242-S304 VanDerWaalsContact CA-O 3.28Å; M242-S304 WeakPolarHBondContact CA-O 3.41Å; M242-S304 WeakPolarHBondContact CB-O 3.36Å; M242-V305 HydrophobicContact CE-CG1 3.74Å; M242-V305 HydrophobicContact CG-CG1 3.7Å; M242-V305 HydrophobicContact SD-CG1 3.89Å
243G98.6Very high98.6Very high0 Ų014.3 Ų14.30%08%0.078CC..Hα-helixtrans-63.5-21.3179.300000115.4Y97 L150 A241 G245 G247Y97-G243 PolarHBondContact OH-N 3.42Å; L150-G243 WeakPolarHBondContact CD2-O 3.33Å; A241-G243 PolarHBondContact O-N 3.24Å; G243-G245 PolarHBondContact O-N 3.1Å; G243-G247 WeakPolarHBondContact O-CA 3.44Å; G243-G247 PolarHBondContact O-N 3.29Å
244F98.8Very high98.6Very high1 Ų110.8 Ų10.80%0.0046%0.06CC..Hα-helixtrans-70.3-20.3173.9-74.7-73.5000113.6L150 F174 F175 I203 M239 A241 M242 N248 R288 V300L150-F244 HydrophobicContact CD2-CD1 4.08Å; L150-F244 HydrophobicContact CG-CD1 4.33Å; L150-F244 HydrophobicContact CG-CE1 4.49Å; L150-F244 WeakPolarHBondContact O-CE1 3.4Å; F174-F244 HydrophobicContact CB-CE2 4.01Å; F174-F244 HydrophobicContact CB-CZ 3.6Å; F174-F244 HydrophobicContact CD2-CE2 4.1Å; F174-F244 HydrophobicContact CD2-CZ 4.05Å; F174-F244 HydrophobicContact CG-CZ 4.21Å; F175-F244 HydrophobicContact CB-CE2 4.28Å; I203-F244 HydrophobicContact CD1-CB 3.88Å; M239-F244 HydrophobicContact CB-CB 4.09Å; M239-F244 HydrophobicContact CB-CD1 4.05Å; M239-F244 HydrophobicContact CB-CD2 3.62Å; M239-F244 HydrophobicContact CB-CE1 4.3Å; M239-F244 HydrophobicContact CB-CE2 3.92Å; M239-F244 HydrophobicContact CB-CG 3.66Å; M239-F244 HydrophobicContact CB-CZ 4.24Å; M239-F244 HydrophobicContact CG-CB 4.41Å; M239-F244 HydrophobicContact CG-CD1 3.62Å; M239-F244 HydrophobicContact CG-CD2 4.09Å; M239-F244 HydrophobicContact CG-CE1 3.69Å; M239-F244 HydrophobicContact CG-CE2 4.17Å; M239-F244 HydrophobicContact CG-CG 3.8Å; M239-F244 HydrophobicContact CG-CZ 3.96Å; M239-F244 HydrophobicContact SD-CB 3.84Å; M239-F244 HydrophobicContact SD-CD1 3.2Å; M239-F244 WeakPolarHBondContact SD-CD1 3.36Å; M239-F244 HydrophobicContact SD-CD2 4.49Å; M239-F244 HydrophobicContact SD-CE1 3.74Å; M239-F244 HydrophobicContact SD-CG 3.62Å; A241-F244 HydrophobicContact CB-CD2 3.79Å; A241-F244 HydrophobicContact CB-CE2 4.09Å; A241-F244 PolarHBondContact O-N 2.91Å; A241-F244 VanDerWaalsContact O-N 3.13Å; M242-F244 PolarHBondContact O-N 3.02Å; F244-N248 PolarHBondContact O-ND2 3.05Å; F244-R288 HydrophobicContact CE1-CB 4.37Å; F244-R288 HydrophobicContact CE1-CG 4.12Å; F244-R288 HydrophobicContact CZ-CG 4.33Å; F244-V300 WeakPolarHBondContact O-CG1 3.47Å
245G98.6Very high98.4Very high0 Ų07.2 Ų7.20%04%0.037CC..Hα-helixtrans-106.4-61.3176.400000112.6M242 G243 G247 N248 S304M242-G245 PolarHBondContact O-N 3.04Å; G243-G245 PolarHBondContact O-N 3.1Å; G245-G247 PolarHBondContact O-N 3.41Å; G245-N248 VanDerWaalsContact O-CB 3.23Å; G245-N248 WeakPolarHBondContact O-CB 3.48Å; G245-N248 PolarHBondContact O-N 3.43Å; G245-N248 VanDerWaalsContact O-N 3.08Å; G245-N248 PolarHBondContact O-ND2 3Å; G245-S304 WeakPolarHBondContact CA-OG 3.43Å
246M98.6Very high98.3Very high20 Ų206 Ų610%0.0993%0.03CC..Hα-helixtrans-71.7-13.3-179.3-70.3-80.3-16800113.2Y97 M242 N248 I301 V305 Y330 W407Y97-M246 WeakPolarHBondContact CB-O 3.47Å; Y97-M246 HydrophobicContact CD1-CB 3.94Å; Y97-M246 HydrophobicContact CD2-CB 4Å; Y97-M246 HydrophobicContact CG-CB 3.62Å; M242-M246 HydrophobicContact CE-CB 4.04Å; M242-M246 HydrophobicContact CE-CE 4.39Å; M242-M246 HydrophobicContact CE-CG 3.58Å; M242-M246 HydrophobicContact CE-SD 4.39Å; M242-M246 HydrophobicContact CG-CB 4.07Å; M242-M246 HydrophobicContact CG-CG 3.95Å; M242-M246 PolarHBondContact O-N 3.44Å; M246-N248 VanDerWaalsContact C-N 3.26Å; M246-I301 HydrophobicContact CG-CD1 4.45Å; M246-I301 HydrophobicContact CG-CG1 4.38Å; M246-I301 HydrophobicContact SD-CD1 3.99Å; M246-I301 HydrophobicContact SD-CG1 4.35Å; M246-V305 HydrophobicContact CE-CB 4.41Å; M246-V305 HydrophobicContact CE-CG1 3.64Å; M246-V305 HydrophobicContact CE-CG2 4.07Å; M246-V305 HydrophobicContact CG-CG1 3.74Å; M246-Y330 HydrophobicContact CE-CD2 3.89Å; M246-Y330 HydrophobicContact CE-CE2 4.24Å; M246-W407 HydrophobicContact CE-CD2 3.77Å; M246-W407 HydrophobicContact CE-CE3 4.01Å; M246-W407 HydrophobicContact CE-CG 4.3Å; M246-W407 HydrophobicContact CE-CH2 4.12Å; M246-W407 HydrophobicContact CE-CZ2 3.86Å; M246-W407 HydrophobicContact CE-CZ3 4.18Å
247G98.4Very high98.1Very high0 Ų03.6 Ų3.60%02%0.019CC..THydrogen-bonded Turntrans-86.39.4169.300000114.3M54 Y100 G243 G245M54-G247 VanDerWaalsContact CE-O 3.25Å; M54-G247 WeakPolarHBondContact CE-O 3.31Å; Y100-G247 WeakPolarHBondContact OH-CA 3.47Å; Y100-G247 PolarHBondContact OH-O 3.35Å; G243-G247 WeakPolarHBondContact O-CA 3.44Å; G243-G247 PolarHBondContact O-N 3.29Å; G245-G247 PolarHBondContact O-N 3.41Å
248N98.6Very high97.9Very high4 Ų45.1 Ų5.12%0.0213%0.029CC..SBendtrans-94.5155.9169.1-63.9-37.7000110.1M101 T145 S146 F244 G245 M246M101-N248 VanDerWaalsContact CE-O 3.26Å; M101-N248 WeakPolarHBondContact CE-O 3.44Å; T145-N248 CarbonylContact O-C 3.51Å; T145-N248 WeakPolarHBondContact O-CA 3.22Å; T145-N248 WeakPolarHBondContact O-CB 3.35Å; S146-N248 WeakPolarHBondContact CA-OD1 3.32Å; F244-N248 PolarHBondContact O-ND2 3.05Å; G245-N248 VanDerWaalsContact O-CB 3.23Å; G245-N248 WeakPolarHBondContact O-CB 3.48Å; G245-N248 PolarHBondContact O-N 3.43Å; G245-N248 VanDerWaalsContact O-N 3.08Å; G245-N248 PolarHBondContact O-ND2 3Å; M246-N248 VanDerWaalsContact C-N 3.26Å
249C98.8Very high97.7Very high0 Ų05.4 Ų5.40%03%0.031CC..  trans-96.8156.9177.2-67.20000113.1E52 M54 I144 T145 V432E52-C249 VanDerWaalsContact C-SG 3.53Å; E52-C249 HydrophobicContact CB-CB 3.67Å; E52-C249 WeakPolarHBondContact O-CB 3.41Å; E52-C249 PolarHBondContact O-SG 2.99Å; E52-C249 VanDerWaalsContact OE2-C 3.23Å; E52-C249 WeakPolarHBondContact OE2-CA 3.37Å; M54-C249 HydrophobicContact CE-CB 4.41Å; M54-C249 VanDerWaalsContact CG-SG 3.54Å; I144-C249 WeakPolarHBondContact O-CB 3.46Å; T145-C249 WeakPolarHBondContact CG2-O 3.25Å; T145-C249 PolarHBondContact O-N 3.36Å; C249-V432 HydrophobicContact CB-CB 4.37Å; C249-V432 HydrophobicContact CB-CG1 3.51Å
250C98.7Very high97.6Very high4 Ų45.7 Ų5.73%0.0273%0.033CC..EExtended strand (participates in β ladder)trans-144.9174.7171.674.90000114.8E52 Q252 M430E52-C250 VanDerWaalsContact CD-SG 3.54Å; E52-C250 PolarHBondContact N-O 2.86Å; E52-C250 PolarHBondContact OE1-SG 2.8Å; E52-C250 PolarHBondContact OE2-N 3.23Å; E52-C250 PolarHBondContact OE2-SG 3.13Å; C250-Q252 WeakPolarHBondContact SG-CG 3.13Å; C250-Q252 PolarHBondContact SG-NE2 3Å; C250-M430 WeakPolarHBondContact CB-O 3.07Å
251L98.8Very high97.4Very high0 Ų010 Ų100%06%0.056CC..EExtended strand (participates in β ladder)trans-114.8124.7171.5177.268.8000107.8V51 M124 M430 N439 V443V51-L251 HydrophobicContact CG2-CD1 3.76Å; M124-L251 HydrophobicContact CE-CD1 4.23Å; L251-M430 HydrophobicContact CB-CB 4.11Å; L251-M430 HydrophobicContact CB-CE 4.41Å; L251-M430 HydrophobicContact CD2-CB 4.49Å; L251-M430 HydrophobicContact CD2-CE 3.82Å; L251-M430 HydrophobicContact CD2-SD 4.13Å; L251-M430 HydrophobicContact CG-CE 3.75Å; L251-M430 PolarHBondContact N-O 3.11Å; L251-M430 WeakPolarHBondContact O-CB 3.27Å; L251-N439 HydrophobicContact CD1-CB 4.34Å; L251-N439 HydrophobicContact CD2-CB 4.29Å; L251-V443 HydrophobicContact CD1-CG2 3.84Å; L251-V443 HydrophobicContact CD2-CG2 4.02Å; L251-V443 HydrophobicContact CG-CG2 4.17Å
252Q98.8Very high97.3Very high9 Ų912.2 Ų12.24%0.0427%0.066CC..EExtended strand (participates in β ladder)trans-122.6152.2178-46.3-178.838.100109.5D49 E50 E52 C250 F427D49-Q252 CarbonylContact C-O 3.53Å; D49-Q252 VanDerWaalsContact CA-O 3.26Å; D49-Q252 WeakPolarHBondContact CA-O 3.26Å; E50-Q252 HydrophobicContact CB-CB 4.23Å; E50-Q252 PolarHBondContact N-O 2.77Å; E50-Q252 PolarHBondContact O-N 3.15Å; E52-Q252 PolarHBondContact OE1-NE2 2.86Å; E52-Q252 VanDerWaalsContact OE1-NE2 3.15Å; C250-Q252 WeakPolarHBondContact SG-CG 3.13Å; C250-Q252 PolarHBondContact SG-NE2 3Å; Q252-F427 WeakPolarHBondContact CA-O 3.37Å
253V98.5Very high97.2Very high0 Ų011.9 Ų11.90%06%0.064CC..EExtended strand (participates in β ladder)trans-137.2127.4172.959.80000110.2W47 G48 F255 E426 F427 M430 V443 V446 V447W47-V253 HydrophobicContact CE3-CG2 4.38Å; G48-V253 WeakPolarHBondContact O-CA 3.4Å; V253-F255 HydrophobicContact CG1-CE1 4.13Å; V253-F255 HydrophobicContact CG2-CD1 4.23Å; V253-E426 WeakPolarHBondContact O-CA 3.49Å; V253-F427 HydrophobicContact CG1-CB 3.83Å; V253-F427 PolarHBondContact N-O 2.94Å; V253-F427 VanDerWaalsContact N-O 3.08Å; V253-F427 PolarHBondContact O-N 3.35Å; V253-M430 HydrophobicContact CG1-CE 3.93Å; V253-V443 HydrophobicContact CG2-CG1 4.17Å; V253-V446 HydrophobicContact CG1-CB 4.26Å; V253-V446 HydrophobicContact CG1-CG1 3.84Å; V253-V447 HydrophobicContact CG2-CG2 4.02Å
254T98.3Very high97.1Very high15 Ų1512.8 Ų12.89%0.0927%0.068CC..EExtended strand (participates in β ladder)trans-109.7136.2176.7-65.30000109.6W47 G48 K413 R424 V425 E426W47-T254 CarbonylContact C-O 3.59Å; W47-T254 WeakPolarHBondContact CA-O 3.37Å; W47-T254 WeakPolarHBondContact CB-O 3.31Å; G48-T254 PolarHBondContact N-O 2.97Å; G48-T254 PolarHBondContact O-N 2.98Å; T254-K413 HydrophobicContact CG2-CD 4.36Å; T254-R424 HydrophobicContact CG2-CB 3.98Å; T254-R424 HydrophobicContact CG2-CG 4.25Å; T254-V425 WeakPolarHBondContact CA-O 3.42Å; T254-E426 WeakPolarHBondContact OG1-CB 3.15Å; T254-E426 VanDerWaalsContact OG1-CG 3.32Å; T254-E426 WeakPolarHBondContact OG1-CG 3.28Å; T254-E426 PolarHBondContact OG1-OE1 3.47Å; T254-E426 VanDerWaalsContact OG1-OE1 3.13Å
255F94.8Very high97Very high1 Ų113.4 Ų13.40%0.0047%0.07CC..EExtended strand (participates in β ladder)trans-129.3141.317427.3-78.8000110.3L45 K46 W47 V253 L266 L270 M410 R424 V425 F427 V446 T450L45-F255 HydrophobicContact CD1-CB 4.08Å; K46-F255 CarbonylContact O-C 3.54Å; K46-F255 WeakPolarHBondContact O-CA 3.38Å; W47-F255 HydrophobicContact CB-CB 3.96Å; V253-F255 HydrophobicContact CG1-CE1 4.13Å; V253-F255 HydrophobicContact CG2-CD1 4.23Å; F255-L266 HydrophobicContact CD2-CD1 4.13Å; F255-L266 HydrophobicContact CE2-CB 4.5Å; F255-L266 HydrophobicContact CE2-CD1 4.38Å; F255-L270 HydrophobicContact CE1-CD1 4.27Å; F255-L270 HydrophobicContact CE2-CD1 3.3Å; F255-L270 HydrophobicContact CZ-CD1 3.15Å; F255-M410 HydrophobicContact CZ-CE 4.4Å; F255-R424 CarbonylContact O-C 3.48Å; F255-R424 WeakPolarHBondContact O-CA 3.36Å; F255-R424 WeakPolarHBondContact O-CB 3.18Å; F255-V425 HydrophobicContact CD2-CB 4.47Å; F255-V425 HydrophobicContact CD2-CG2 3.31Å; F255-V425 HydrophobicContact CE2-CB 4.03Å; F255-V425 HydrophobicContact CE2-CG2 3.12Å; F255-V425 HydrophobicContact CG-CG2 4.39Å; F255-V425 HydrophobicContact CZ-CG2 4.08Å; F255-V425 PolarHBondContact N-O 3.23Å; F255-V425 PolarHBondContact O-N 3.45Å; F255-F427 HydrophobicContact CE1-CB 4.18Å; F255-F427 HydrophobicContact CZ-CB 4.3Å; F255-V446 HydrophobicContact CE1-CG1 4.35Å; F255-T450 HydrophobicContact CD2-CG2 4.26Å; F255-T450 HydrophobicContact CE1-CG2 4.48Å; F255-T450 HydrophobicContact CE2-CG2 4Å; F255-T450 HydrophobicContact CZ-CG2 4.2Å
256Q95.8Very high96.9Very high12 Ų1213.5 Ų13.56%0.0567%0.071CC..EExtended strand (participates in β ladder)trans-88.8124.5171.7-177.7177-81.200108.8D43 V44 K46 R424D43-Q256 HydrophobicContact CB-CG 4.47Å; V44-Q256 PolarHBondContact O-NE2 3.08Å; K46-Q256 HydrophobicContact CB-CB 4.11Å; K46-Q256 WeakPolarHBondContact O-CB 3.35Å; K46-Q256 PolarHBondContact O-N 3.36Å; Q256-R424 HydrophobicContact CB-CG 3.93Å; Q256-R424 HydrophobicContact CG-CG 4.32Å
257A94.5Very high96.9Very high0 Ų012.6 Ų12.60%07%0.066CC..  trans-86.8164.5175.200000110.9D43 S259 E262 A263 W423D43-A257 WeakPolarHBondContact CB-O 3.5Å; A257-S259 VanDerWaalsContact C-N 3.26Å; A257-S259 PolarHBondContact O-N 3.38Å; A257-E262 WeakPolarHBondContact CA-OE1 3.45Å; A257-E262 HydrophobicContact CB-CB 4.04Å; A257-E262 HydrophobicContact CB-CG 4.07Å; A257-A263 HydrophobicContact CB-CB 3.72Å; A257-W423 PolarHBondContact N-O 3.27Å
258C93.4Very high96.9Very high32 Ų3212.6 Ų12.622%0.2167%0.066CC..SBendtrans-70.8-21.9179.677.40000114Q41 R42 D43 E262Q41-C258 CarbonylContact C-O 3.5Å; Q41-C258 VanDerWaalsContact C-O 3.32Å; Q41-C258 WeakPolarHBondContact CA-O 3.45Å; R42-C258 PolarHBondContact N-O 3.43Å; D43-C258 PolarHBondContact N-O 3.05Å; D43-C258 VanDerWaalsContact N-O 3.15Å; D43-C258 WeakPolarHBondContact O-CA 3.27Å; D43-C258 WeakPolarHBondContact O-CB 3.33Å; C258-E262 PolarHBondContact N-OE1 2.85Å; C258-E262 PolarHBondContact SG-OE2 3.4Å
259S95.4Very high96.9Very high5 Ų512.4 Ų12.44%0.0357%0.065CC..SBendtrans-162.1174.2-178.4720000111.1Q41 A257 D261 E262 A263Q41-S259 VanDerWaalsContact CD-CB 3.47Å; A257-S259 VanDerWaalsContact C-N 3.26Å; A257-S259 PolarHBondContact O-N 3.38Å; S259-D261 VanDerWaalsContact C-N 3.28Å; S259-D261 PolarHBondContact O-N 3.23Å; S259-D261 PolarHBondContact OG-N 3.38Å; S259-E262 PolarHBondContact OG-N 3.42Å; S259-A263 WeakPolarHBondContact O-CB 3.36Å; S259-A263 PolarHBondContact O-N 3.42Å
260I96.8Very high96.9Very high6 Ų612.4 Ų12.43%0.0317%0.065CC..Hα-helixtrans-62-35.5173.6-166.6177.2000112.5Y34 A263 R264 L368 F412 W423Y34-I260 HydrophobicContact CD2-CD1 4.11Å; Y34-I260 HydrophobicContact CE2-CD1 3.62Å; I260-A263 PolarHBondContact O-N 2.87Å; I260-R264 HydrophobicContact CG1-CG 4.43Å; I260-R264 WeakPolarHBondContact O-CD 3.24Å; I260-R264 VanDerWaalsContact O-CG 3.24Å; I260-R264 WeakPolarHBondContact O-CG 3.49Å; I260-R264 PolarHBondContact O-N 2.95Å; I260-L368 HydrophobicContact CD1-CD2 3.93Å; I260-F412 HydrophobicContact CD1-CZ 4.17Å; I260-F412 HydrophobicContact CG1-CE2 4.28Å; I260-F412 HydrophobicContact CG1-CZ 3.84Å; I260-W423 HydrophobicContact CB-CD2 3.9Å; I260-W423 HydrophobicContact CB-CG 3.99Å; I260-W423 HydrophobicContact CB-CZ2 4.38Å; I260-W423 HydrophobicContact CD1-CD2 4.21Å; I260-W423 HydrophobicContact CD1-CE3 4.2Å; I260-W423 HydrophobicContact CD1-CH2 3.68Å; I260-W423 HydrophobicContact CD1-CZ2 3.66Å; I260-W423 HydrophobicContact CD1-CZ3 3.95Å; I260-W423 HydrophobicContact CG1-CD2 3.8Å; I260-W423 HydrophobicContact CG1-CE3 3.95Å; I260-W423 HydrophobicContact CG1-CG 4.32Å; I260-W423 HydrophobicContact CG1-CH2 4.31Å; I260-W423 HydrophobicContact CG1-CZ2 4.16Å; I260-W423 HydrophobicContact CG1-CZ3 4.21Å
261D94.9Very high96.8Very high92 Ų9212.2 Ų12.249%0.4926%0.064SC..Hα-helixtrans-69.5-43.3-178-62.4-37.5000111.3S259 A263 R264 Y265S259-D261 VanDerWaalsContact C-N 3.28Å; S259-D261 PolarHBondContact O-N 3.23Å; S259-D261 PolarHBondContact OG-N 3.38Å; D261-A263 VanDerWaalsContact C-N 3.33Å; D261-R264 PolarHBondContact O-N 3.1Å; D261-Y265 WeakPolarHBondContact O-CB 3.36Å; D261-Y265 PolarHBondContact O-N 2.91Å
262E95.1Very high96.8Very high48 Ų4812.3 Ų12.322%0.2246%0.064CC..Hα-helixtrans-64.9-39.5173.9-174.2-179.391.400111.1A257 C258 S259 R264 Y265 L266 L454A257-E262 WeakPolarHBondContact CA-OE1 3.45Å; A257-E262 HydrophobicContact CB-CB 4.04Å; A257-E262 HydrophobicContact CB-CG 4.07Å; C258-E262 PolarHBondContact N-OE1 2.85Å; C258-E262 PolarHBondContact SG-OE2 3.4Å; S259-E262 PolarHBondContact OG-N 3.42Å; E262-R264 PolarHBondContact O-N 3.33Å; E262-Y265 PolarHBondContact O-N 2.72Å; E262-L266 HydrophobicContact CG-CD1 4.22Å; E262-L266 HydrophobicContact CG-CG 4.37Å; E262-L266 WeakPolarHBondContact O-CB 3.43Å; E262-L266 WeakPolarHBondContact O-CG 3.47Å; E262-L266 PolarHBondContact O-N 2.84Å; E262-L454 HydrophobicContact CG-CD1 4.14Å; E262-L454 HydrophobicContact CG-CD2 3.75Å
263A97.1Very high96.8Very high0 Ų011.9 Ų11.90%06%0.062CC..Hα-helixtrans-60-46.9175.800000111.6A257 S259 I260 D261 L266 Y267 F412 W423 V425A257-A263 HydrophobicContact CB-CB 3.72Å; S259-A263 WeakPolarHBondContact O-CB 3.36Å; S259-A263 PolarHBondContact O-N 3.42Å; I260-A263 PolarHBondContact O-N 2.87Å; D261-A263 VanDerWaalsContact C-N 3.33Å; A263-L266 PolarHBondContact O-N 2.78Å; A263-Y267 WeakPolarHBondContact O-CB 3.45Å; A263-Y267 PolarHBondContact O-N 3.45Å; A263-F412 HydrophobicContact CB-CD2 4.3Å; A263-F412 HydrophobicContact CB-CE2 3.86Å; A263-W423 HydrophobicContact CB-CB 3.91Å; A263-V425 HydrophobicContact CB-CG1 4.36Å; A263-V425 VanDerWaalsContact O-CG1 3.29Å; A263-V425 WeakPolarHBondContact O-CG1 3.34Å
264R97.6Very high96.8Very high20 Ų2011.9 Ų11.98%0.0756%0.062CC..Hα-helixtrans-64.1-41.9177.7-68.9164.168164.313.7111.8I260 D261 E262 Y267 D268 L337 D365 F412I260-R264 HydrophobicContact CG1-CG 4.43Å; I260-R264 WeakPolarHBondContact O-CD 3.24Å; I260-R264 VanDerWaalsContact O-CG 3.24Å; I260-R264 WeakPolarHBondContact O-CG 3.49Å; I260-R264 PolarHBondContact O-N 2.95Å; D261-R264 PolarHBondContact O-N 3.1Å; E262-R264 PolarHBondContact O-N 3.33Å; R264-Y267 WeakPolarHBondContact O-CB 3.41Å; R264-Y267 PolarHBondContact O-N 3.01Å; R264-D268 PolarHBondContact O-N 3.12Å; R264-D268 VanDerWaalsContact O-N 3.15Å; R264-L337 HydrophobicContact CB-CB 4Å; R264-L337 HydrophobicContact CG-CB 3.95Å; R264-L337 PolarHBondContact NE-O 2.77Å; R264-L337 PolarHBondContact NH2-O 2.67Å; R264-D365 IonicContact CZ-OD1 2.74Å; R264-D365 IonicContact CZ-OD2 3.38Å; R264-D365 VanDerWaalsContact CZ-OD2 3.28Å; R264-D365 IonicContact NH1-OD1 2.81Å; R264-D365 IonicContact NH1-OD2 3.79Å; R264-D365 PolarHBondContact NH1-OD2 3.38Å; R264-D365 IonicContact NH2-OD1 2.88Å; R264-D365 PolarHBondContact NH2-OD1 3.18Å; R264-D365 IonicContact NH2-OD2 2.77Å; R264-D365 PolarHBondContact NH2-OD2 3.49Å; R264-D365 VanDerWaalsContact NH2-OD2 3.09Å; R264-F412 HydrophobicContact CG-CE2 4.02Å; R264-F412 HydrophobicContact CG-CZ 4.41Å
265Y95.6Very high96.8Very high13 Ų1311.2 Ų11.25%0.0516%0.058CC..Hα-helixtrans-62.7-48.5176.5-180-108.5000111.7D261 E262 Y267 D268 Q269 I453 L454 L458 P497D261-Y265 WeakPolarHBondContact O-CB 3.36Å; D261-Y265 PolarHBondContact O-N 2.91Å; E262-Y265 PolarHBondContact O-N 2.72Å; Y265-Y267 PolarHBondContact O-N 2.86Å; Y265-D268 PolarHBondContact O-N 3.39Å; Y265-Q269 HydrophobicContact CD1-CG 4.32Å; Y265-Q269 HydrophobicContact CD2-CG 4.24Å; Y265-Q269 HydrophobicContact CE1-CG 4.05Å; Y265-Q269 HydrophobicContact CE2-CG 3.95Å; Y265-Q269 HydrophobicContact CG-CG 4.43Å; Y265-Q269 VanDerWaalsContact O-CG 3.25Å; Y265-Q269 WeakPolarHBondContact O-CG 3.21Å; Y265-Q269 PolarHBondContact O-N 3.47Å; Y265-I453 HydrophobicContact CE1-CG2 3.73Å; Y265-L454 HydrophobicContact CD1-CD2 3.93Å; Y265-L454 HydrophobicContact CE1-CD2 4.12Å; Y265-L458 PolarHBondContact OH-O 2.82Å; Y265-P497 HydrophobicContact CD2-CG 3.59Å; Y265-P497 HydrophobicContact CE2-CG 3.82Å; Y265-P497 HydrophobicContact CG-CG 4.17Å
266L97Very high97Very high3 Ų311.2 Ų11.22%0.0166%0.058CC..Hα-helixtrans-63.5-39176.9-75.2178.5000112.7F255 E262 A263 D268 L270 V425 T450 I453 L454F255-L266 HydrophobicContact CD2-CD1 4.13Å; F255-L266 HydrophobicContact CE2-CB 4.5Å; F255-L266 HydrophobicContact CE2-CD1 4.38Å; E262-L266 HydrophobicContact CG-CD1 4.22Å; E262-L266 HydrophobicContact CG-CG 4.37Å; E262-L266 WeakPolarHBondContact O-CB 3.43Å; E262-L266 WeakPolarHBondContact O-CG 3.47Å; E262-L266 PolarHBondContact O-N 2.84Å; A263-L266 PolarHBondContact O-N 2.78Å; L266-D268 VanDerWaalsContact C-N 3.3Å; L266-D268 PolarHBondContact O-N 2.96Å; L266-L270 VanDerWaalsContact O-CB 3.25Å; L266-L270 WeakPolarHBondContact O-CB 3.39Å; L266-L270 VanDerWaalsContact O-CG 3.23Å; L266-L270 WeakPolarHBondContact O-CG 3.5Å; L266-L270 PolarHBondContact O-N 3.05Å; L266-V425 HydrophobicContact CB-CG2 4.14Å; L266-T450 HydrophobicContact CD2-CG2 4.43Å; L266-I453 HydrophobicContact CD2-CG2 4.4Å; L266-L454 HydrophobicContact CD1-CD1 4.19Å; L266-L454 HydrophobicContact CD2-CD1 4.18Å; L266-L454 HydrophobicContact CD2-CD2 3.99Å; L266-L454 HydrophobicContact CD2-CG 3.93Å; L266-L454 HydrophobicContact CG-CD1 4.45Å; L266-L454 HydrophobicContact CG-CD2 4.22Å
267Y98.5Very high97.2Very high0 Ų010.7 Ų10.70%06%0.056CC..Hα-helixtrans-53.3-50.9174.4179.3-88.1000110.6A263 R264 Y265 A271 I333 S335 L337 Q408 M410 F412 V425A263-Y267 WeakPolarHBondContact O-CB 3.45Å; A263-Y267 PolarHBondContact O-N 3.45Å; R264-Y267 WeakPolarHBondContact O-CB 3.41Å; R264-Y267 PolarHBondContact O-N 3.01Å; Y265-Y267 PolarHBondContact O-N 2.86Å; Y267-A271 PolarHBondContact O-N 3.35Å; Y267-A271 VanDerWaalsContact O-N 3.12Å; Y267-I333 HydrophobicContact CE1-CB 4.41Å; Y267-I333 HydrophobicContact CE1-CD1 3.79Å; Y267-I333 HydrophobicContact CE1-CG2 4.15Å; Y267-I333 HydrophobicContact CE2-CG2 4.26Å; Y267-I333 WeakPolarHBondContact OH-CB 3.45Å; Y267-I333 WeakPolarHBondContact OH-CG2 3.1Å; Y267-S335 WeakPolarHBondContact CE1-O 3.47Å; Y267-L337 HydrophobicContact CD1-CB 4.44Å; Y267-L337 HydrophobicContact CD1-CD1 3.63Å; Y267-L337 HydrophobicContact CD1-CG 3.63Å; Y267-L337 HydrophobicContact CD2-CD1 4.17Å; Y267-L337 HydrophobicContact CE1-CD1 3.82Å; Y267-L337 HydrophobicContact CE1-CD2 4.41Å; Y267-L337 HydrophobicContact CE1-CG 3.7Å; Y267-L337 HydrophobicContact CE2-CD1 4.32Å; Y267-L337 HydrophobicContact CG-CD1 3.8Å; Y267-L337 HydrophobicContact CG-CG 4.3Å; Y267-Q408 PolarHBondContact OH-OE1 3.46Å; Y267-M410 HydrophobicContact CD2-CB 3.61Å; Y267-M410 HydrophobicContact CE2-CB 3.42Å; Y267-M410 VanDerWaalsContact CE2-CB 3.42Å; Y267-M410 HydrophobicContact CG-CB 4.34Å; Y267-F412 HydrophobicContact CD2-CB 3.86Å; Y267-F412 HydrophobicContact CE2-CB 4.02Å; Y267-V425 HydrophobicContact CD2-CG1 4.23Å
268D98.3Very high97.4Very high0 Ų010.7 Ų10.70%06%0.056CC..Hα-helixtrans-66.8-49.4-177.1-68-1.7000112.2R264 Y265 L266 L270 A271 Y336 L337 S338 L461R264-D268 PolarHBondContact O-N 3.12Å; R264-D268 VanDerWaalsContact O-N 3.15Å; Y265-D268 PolarHBondContact O-N 3.39Å; L266-D268 VanDerWaalsContact C-N 3.3Å; L266-D268 PolarHBondContact O-N 2.96Å; D268-L270 VanDerWaalsContact C-N 3.31Å; D268-L270 PolarHBondContact O-N 2.82Å; D268-A271 WeakPolarHBondContact O-CB 3.38Å; D268-A271 PolarHBondContact O-N 3.1Å; D268-Y336 HydrophobicContact CB-CD1 3.52Å; D268-Y336 HydrophobicContact CB-CE1 4.04Å; D268-Y336 HydrophobicContact CB-CG 4.31Å; D268-Y336 VanDerWaalsContact CG-CD1 3.47Å; D268-Y336 WeakPolarHBondContact O-CE1 3.4Å; D268-Y336 VanDerWaalsContact OD1-CA 3.27Å; D268-Y336 WeakPolarHBondContact OD1-CA 3.3Å; D268-Y336 WeakPolarHBondContact OD1-CD1 3.19Å; D268-L337 PolarHBondContact OD1-N 2.88Å; D268-L337 PolarHBondContact OD2-N 2.72Å; D268-S338 WeakPolarHBondContact OD2-CA 3.4Å; D268-S338 WeakPolarHBondContact OD2-CB 3.49Å; D268-S338 PolarHBondContact OD2-N 3.42Å; D268-S338 PolarHBondContact OD2-OG 3.22Å; D268-L461 VanDerWaalsContact C-CD2 3.49Å; D268-L461 HydrophobicContact CB-CD2 3.64Å; D268-L461 WeakPolarHBondContact O-CD2 3.36Å
269Q97.7Very high97.6Very high0 Ų09.2 Ų9.20%05%0.046CC..Hα-helixtrans-59.7-46.3-177.6-66-61.3-29.400110.3Y265 A271 T272 F273 I453 D459Y265-Q269 HydrophobicContact CD1-CG 4.32Å; Y265-Q269 HydrophobicContact CD2-CG 4.24Å; Y265-Q269 HydrophobicContact CE1-CG 4.05Å; Y265-Q269 HydrophobicContact CE2-CG 3.95Å; Y265-Q269 HydrophobicContact CG-CG 4.43Å; Y265-Q269 VanDerWaalsContact O-CG 3.25Å; Y265-Q269 WeakPolarHBondContact O-CG 3.21Å; Y265-Q269 PolarHBondContact O-N 3.47Å; Q269-A271 VanDerWaalsContact C-N 3.35Å; Q269-A271 PolarHBondContact O-N 3.04Å; Q269-T272 PolarHBondContact O-N 3.32Å; Q269-T272 PolarHBondContact O-OG1 3.13Å; Q269-F273 VanDerWaalsContact O-CD2 3.29Å; Q269-F273 WeakPolarHBondContact O-CD2 3.44Å; Q269-I453 HydrophobicContact CB-CD1 4.21Å; Q269-I453 HydrophobicContact CB-CG2 4.17Å; Q269-I453 HydrophobicContact CG-CG2 3.99Å; Q269-D459 PolarHBondContact NE2-OD1 2.72Å
270L98.4Very high97.8Very high0 Ų09 Ų90%04%0.044CC..Hα-helixtrans-73-24.3-176.6-66.5174.2000114F255 L266 D268 T272 F273 C274 M410 F427 L449 T450 I453F255-L270 HydrophobicContact CE1-CD1 4.27Å; F255-L270 HydrophobicContact CE2-CD1 3.3Å; F255-L270 HydrophobicContact CZ-CD1 3.15Å; L266-L270 VanDerWaalsContact O-CB 3.25Å; L266-L270 WeakPolarHBondContact O-CB 3.39Å; L266-L270 VanDerWaalsContact O-CG 3.23Å; L266-L270 WeakPolarHBondContact O-CG 3.5Å; L266-L270 PolarHBondContact O-N 3.05Å; D268-L270 VanDerWaalsContact C-N 3.31Å; D268-L270 PolarHBondContact O-N 2.82Å; L270-T272 PolarHBondContact O-N 3.08Å; L270-F273 HydrophobicContact CD2-CD2 4.38Å; L270-F273 WeakPolarHBondContact O-CB 3.4Å; L270-F273 PolarHBondContact O-N 2.7Å; L270-C274 PolarHBondContact O-N 2.85Å; L270-C274 PolarHBondContact O-SG 2.76Å; L270-M410 HydrophobicContact CB-CE 3.68Å; L270-M410 HydrophobicContact CB-SD 3.92Å; L270-M410 HydrophobicContact CD1-CE 4.05Å; L270-F427 HydrophobicContact CB-CD2 4.09Å; L270-F427 HydrophobicContact CB-CE2 4.35Å; L270-L449 HydrophobicContact CD2-CD2 4.25Å; L270-T450 HydrophobicContact CD1-CG2 3.7Å; L270-T450 HydrophobicContact CD2-CG2 4.17Å; L270-T450 HydrophobicContact CG-CG2 4.46Å; L270-I453 HydrophobicContact CD2-CD1 4.01Å
271A98.6Very high97.9Very high0 Ų08.7 Ų8.70%04%0.043CC..Hα-helixtrans-56.9-33.4174.800000112.6Y267 D268 Q269 F273 C274 I333 Y336 M410Y267-A271 PolarHBondContact O-N 3.35Å; Y267-A271 VanDerWaalsContact O-N 3.12Å; D268-A271 WeakPolarHBondContact O-CB 3.38Å; D268-A271 PolarHBondContact O-N 3.1Å; Q269-A271 VanDerWaalsContact C-N 3.35Å; Q269-A271 PolarHBondContact O-N 3.04Å; A271-F273 VanDerWaalsContact C-N 3.28Å; A271-F273 PolarHBondContact O-N 3.31Å; A271-C274 WeakPolarHBondContact O-CB 3.46Å; A271-C274 PolarHBondContact O-N 3.33Å; A271-I333 HydrophobicContact CB-CD1 3.3Å; A271-I333 HydrophobicContact CB-CG1 3.95Å; A271-Y336 HydrophobicContact CB-CE1 4.06Å; A271-M410 HydrophobicContact CB-CG 4.04Å
272T98.1Very high98.1Very high2 Ų24.5 Ų4.51%0.0122%0.021CC..THydrogen-bonded Turntrans-70.4-24177.469.50000113.2Q269 L270 Y336 F460 L461 I462 V467Q269-T272 PolarHBondContact O-N 3.32Å; Q269-T272 PolarHBondContact O-OG1 3.13Å; L270-T272 PolarHBondContact O-N 3.08Å; T272-Y336 WeakPolarHBondContact CG2-OH 3.45Å; T272-F460 WeakPolarHBondContact CG2-O 3.5Å; T272-F460 WeakPolarHBondContact OG1-CB 3.48Å; T272-L461 HydrophobicContact CG2-CD2 4.43Å; T272-I462 HydrophobicContact CG2-CG1 4.26Å; T272-V467 HydrophobicContact CG2-CG2 4.31Å
273F98.6Very high98.3Very high1 Ų12.3 Ų2.30%0.0041%0.011CC..THydrogen-bonded Turntrans-86.7-17.5176.9-68.3-88.8000113.1Q269 L270 A271 I276 V277 F427 L449 I453 F460 F487 L537Q269-F273 VanDerWaalsContact O-CD2 3.29Å; Q269-F273 WeakPolarHBondContact O-CD2 3.44Å; L270-F273 HydrophobicContact CD2-CD2 4.38Å; L270-F273 WeakPolarHBondContact O-CB 3.4Å; L270-F273 PolarHBondContact O-N 2.7Å; A271-F273 VanDerWaalsContact C-N 3.28Å; A271-F273 PolarHBondContact O-N 3.31Å; F273-I276 WeakPolarHBondContact O-CB 3.28Å; F273-I276 PolarHBondContact O-N 3.25Å; F273-V277 HydrophobicContact CB-CG2 4.39Å; F273-V277 WeakPolarHBondContact O-CG2 3.37Å; F273-V277 PolarHBondContact O-N 3.46Å; F273-F427 HydrophobicContact CB-CE2 4.28Å; F273-L449 HydrophobicContact CD1-CD2 3.55Å; F273-L449 HydrophobicContact CD2-CD2 4.01Å; F273-L449 HydrophobicContact CE1-CD1 4.12Å; F273-L449 HydrophobicContact CE1-CD2 3.55Å; F273-L449 HydrophobicContact CE1-CG 4.43Å; F273-L449 HydrophobicContact CE2-CD2 4.02Å; F273-L449 HydrophobicContact CG-CD2 3.77Å; F273-L449 HydrophobicContact CZ-CD1 3.97Å; F273-L449 HydrophobicContact CZ-CD2 3.78Å; F273-L449 HydrophobicContact CZ-CG 4.32Å; F273-I453 HydrophobicContact CE2-CD1 4.16Å; F273-F460 HydrophobicContact CE1-CD1 4.44Å; F273-F460 HydrophobicContact CE1-CE1 4.35Å; F273-F460 HydrophobicContact CE2-CB 3.88Å; F273-F460 AromaticContact CE2-CD1 3.98Å; F273-F460 HydrophobicContact CE2-CD1 3.98Å; F273-F460 AromaticContact CE2-CD2 3.57Å; F273-F460 HydrophobicContact CE2-CD2 3.57Å; F273-F460 HydrophobicContact CE2-CE1 4.38Å; F273-F460 HydrophobicContact CE2-CE2 4.04Å; F273-F460 AromaticContact CE2-CG 3.52Å; F273-F460 HydrophobicContact CE2-CG 3.52Å; F273-F460 HydrophobicContact CE2-CZ 4.43Å; F273-F460 HydrophobicContact CZ-CB 4.3Å; F273-F460 AromaticContact CZ-CD1 3.51Å; F273-F460 HydrophobicContact CZ-CD1 3.51Å; F273-F460 AromaticContact CZ-CD2 3.65Å; F273-F460 HydrophobicContact CZ-CD2 3.65Å; F273-F460 AromaticContact CZ-CE1 3.55Å; F273-F460 HydrophobicContact CZ-CE1 3.55Å; F273-F460 AromaticContact CZ-CE2 3.72Å; F273-F460 HydrophobicContact CZ-CE2 3.72Å; F273-F460 AromaticContact CZ-CG 3.54Å; F273-F460 HydrophobicContact CZ-CG 3.54Å; F273-F460 AromaticContact CZ-CZ 3.67Å; F273-F460 HydrophobicContact CZ-CZ 3.67Å; F273-F487 HydrophobicContact CE1-CE2 4.23Å; F273-F487 AromaticContact CE1-CZ 3.87Å; F273-F487 HydrophobicContact CE1-CZ 3.87Å; F273-F487 HydrophobicContact CZ-CZ 4.09Å; F273-L537 HydrophobicContact CD1-CD1 4.3Å; F273-L537 HydrophobicContact CE1-CD1 3.62Å; F273-L537 HydrophobicContact CE1-CD2 4Å; F273-L537 HydrophobicContact CE1-CG 4.47Å; F273-L537 HydrophobicContact CZ-CD2 4.28Å
274C98.8Very high98.3Very high0 Ų02.3 Ų2.30%01%0.011CC..Hα-helixtrans-49.4-52.8179.7-65.70000113.8L270 A271 I276 M278 T409 M410 P429 M471L270-C274 PolarHBondContact O-N 2.85Å; L270-C274 PolarHBondContact O-SG 2.76Å; A271-C274 WeakPolarHBondContact O-CB 3.46Å; A271-C274 PolarHBondContact O-N 3.33Å; C274-I276 VanDerWaalsContact C-N 3.33Å; C274-I276 PolarHBondContact O-N 3.05Å; C274-M278 WeakPolarHBondContact O-CB 3.45Å; C274-M278 PolarHBondContact O-N 3.19Å; C274-T409 HydrophobicContact CB-CG2 4.11Å; C274-M410 VanDerWaalsContact SG-SD 3.66Å; C274-P429 HydrophobicContact CB-CB 4.23Å; C274-P429 HydrophobicContact CB-CG 3.75Å; C274-M471 HydrophobicContact CB-SD 4.21Å
275P98.8Very high98.4Very high0 Ų01.3 Ų1.30%01%0.007CC..Hα-helixtrans-65.9-34177.523.7-33.5000113.3A279 N470 M471 A474 F485P275-A279 WeakPolarHBondContact O-CB 3.3Å; P275-A279 PolarHBondContact O-N 3.27Å; P275-N470 HydrophobicContact CB-CB 3.62Å; P275-N470 HydrophobicContact CG-CB 3.48Å; P275-N470 VanDerWaalsContact CG-CB 3.48Å; P275-M471 HydrophobicContact CB-CG 4.2Å; P275-M471 HydrophobicContact CB-SD 3.71Å; P275-M471 HydrophobicContact CG-SD 4.21Å; P275-A474 HydrophobicContact CB-CB 4.03Å; P275-A474 WeakPolarHBondContact O-CB 3.41Å; P275-F485 HydrophobicContact CB-CD1 4.49Å; P275-F485 HydrophobicContact CB-CE1 4.46Å
276I98.8Very high98.5Very high1 Ų10.7 Ų0.71%0.0051%0.005CC..Hα-helixtrans-66.1-50.4-178.4-52.5-51.9000110.3F273 C274 A279 L280 F485 F487 I523 I526F273-I276 WeakPolarHBondContact O-CB 3.28Å; F273-I276 PolarHBondContact O-N 3.25Å; C274-I276 VanDerWaalsContact C-N 3.33Å; C274-I276 PolarHBondContact O-N 3.05Å; I276-A279 PolarHBondContact O-N 3.17Å; I276-L280 HydrophobicContact CG2-CD1 4.31Å; I276-L280 WeakPolarHBondContact O-CG 3.09Å; I276-L280 PolarHBondContact O-N 2.99Å; I276-F485 HydrophobicContact CD1-CB 3.62Å; I276-F485 HydrophobicContact CD1-CD1 3.8Å; I276-F485 HydrophobicContact CD1-CD2 4.39Å; I276-F485 HydrophobicContact CD1-CG 3.67Å; I276-F487 HydrophobicContact CD1-CD2 4.49Å; I276-F487 HydrophobicContact CG1-CD2 4.42Å; I276-F487 HydrophobicContact CG1-CE2 4.3Å; I276-I523 HydrophobicContact CB-CD1 4.15Å; I276-I523 HydrophobicContact CD1-CD1 3.81Å; I276-I523 HydrophobicContact CG2-CD1 3.63Å; I276-I526 HydrophobicContact CD1-CD1 3.73Å; I276-I526 HydrophobicContact CG2-CG2 4.2Å
277V98.8Very high98.6Very high1 Ų10.8 Ų0.81%0.0061%0.005CC..Hα-helixtrans-73-31.3-179.4-171.10000111.1F273 L280 S281 F427 M430 Y442 F445F273-V277 HydrophobicContact CB-CG2 4.39Å; F273-V277 WeakPolarHBondContact O-CG2 3.37Å; F273-V277 PolarHBondContact O-N 3.46Å; V277-L280 PolarHBondContact O-N 3.26Å; V277-S281 WeakPolarHBondContact O-CB 3.48Å; V277-S281 PolarHBondContact O-N 3.27Å; V277-S281 PolarHBondContact O-OG 2.85Å; V277-F427 HydrophobicContact CB-CE1 4.02Å; V277-F427 HydrophobicContact CB-CZ 3.89Å; V277-F427 HydrophobicContact CG1-CE1 4.12Å; V277-F427 HydrophobicContact CG1-CZ 4.46Å; V277-F427 HydrophobicContact CG2-CE1 4.34Å; V277-F427 HydrophobicContact CG2-CZ 3.9Å; V277-M430 HydrophobicContact CG1-CG 3.71Å; V277-M430 HydrophobicContact CG1-SD 3.79Å; V277-Y442 HydrophobicContact CG1-CD1 4Å; V277-Y442 HydrophobicContact CG1-CE1 4.44Å; V277-F445 HydrophobicContact CG2-CE1 4.14Å
278M98.8Very high98.6Very high0 Ų02.3 Ų2.30%01%0.011CC..Hα-helixtrans-59.4-50.8170.7-172.5170.867.100111.2C274 L280 S281 A282 C296 W298 P429 M471 A474 Q475C274-M278 WeakPolarHBondContact O-CB 3.45Å; C274-M278 PolarHBondContact O-N 3.19Å; M278-L280 VanDerWaalsContact C-N 3.33Å; M278-L280 PolarHBondContact O-N 2.84Å; M278-S281 PolarHBondContact O-N 3.1Å; M278-S281 VanDerWaalsContact O-N 3.16Å; M278-S281 PolarHBondContact O-OG 3.07Å; M278-A282 PolarHBondContact O-N 2.81Å; M278-C296 HydrophobicContact CG-CB 3.96Å; M278-C296 HydrophobicContact SD-CB 4.27Å; M278-W298 HydrophobicContact CE-CB 4.42Å; M278-W298 HydrophobicContact SD-CB 3.53Å; M278-W298 VanDerWaalsContact SD-CB 3.53Å; M278-W298 HydrophobicContact SD-CD2 4.36Å; M278-W298 HydrophobicContact SD-CG 3.95Å; M278-P429 HydrophobicContact CB-CB 4.29Å; M278-M471 HydrophobicContact CE-CE 3.51Å; M278-M471 WeakPolarHBondContact CE-O 3.49Å; M278-M471 HydrophobicContact CE-SD 3.86Å; M278-M471 HydrophobicContact SD-CE 3.78Å; M278-A474 HydrophobicContact CB-CB 4.47Å; M278-A474 HydrophobicContact CE-CB 3.27Å; M278-Q475 HydrophobicContact CE-CG 3.82Å
279A98.9Very high98.6Very high1 Ų12.4 Ų2.41%0.0081%0.012CC..Hα-helixtrans-61-41.1176.800000112.1P275 I276 S281 A282 A474 A479 F485 I523P275-A279 WeakPolarHBondContact O-CB 3.3Å; P275-A279 PolarHBondContact O-N 3.27Å; I276-A279 PolarHBondContact O-N 3.17Å; A279-S281 VanDerWaalsContact C-N 3.3Å; A279-S281 PolarHBondContact O-N 3.43Å; A279-A282 WeakPolarHBondContact O-CB 3.28Å; A279-A474 HydrophobicContact CB-CB 4.03Å; A279-A479 HydrophobicContact CB-CB 4.48Å; A279-F485 HydrophobicContact CB-CZ 3.92Å; A279-I523 HydrophobicContact CB-CD1 4.33Å; A279-I523 HydrophobicContact CB-CG1 4.47Å
280L98.7Very high98.7Very high0 Ų04.8 Ų4.80%02%0.021CC..Hα-helixtrans-62.2-36.8176.2-78.9163000112.8I276 V277 M278 Y442 V480 I523 I527 I565 R568 A569I276-L280 HydrophobicContact CG2-CD1 4.31Å; I276-L280 WeakPolarHBondContact O-CG 3.09Å; I276-L280 PolarHBondContact O-N 2.99Å; V277-L280 PolarHBondContact O-N 3.26Å; M278-L280 VanDerWaalsContact C-N 3.33Å; M278-L280 PolarHBondContact O-N 2.84Å; L280-Y442 VanDerWaalsContact C-OH 3.31Å; L280-Y442 HydrophobicContact CB-CE1 3.97Å; L280-Y442 PolarHBondContact O-OH 3.37Å; L280-V480 HydrophobicContact CD2-CG2 3.88Å; L280-V480 HydrophobicContact CG-CG2 4.4Å; L280-I523 HydrophobicContact CD1-CG2 4.21Å; L280-I523 HydrophobicContact CD2-CG2 3.57Å; L280-I523 HydrophobicContact CG-CG2 3.73Å; L280-I527 HydrophobicContact CD1-CD1 3.65Å; L280-I527 HydrophobicContact CD1-CG1 4.01Å; L280-I565 HydrophobicContact CD1-CG2 4.33Å; L280-R568 HydrophobicContact CD2-CB 4.33Å; L280-A569 HydrophobicContact CD2-CB 3.93Å
281S98.8Very high98.7Very high0 Ų05 Ų50%02%0.023CC..Hα-helixtrans-92.1-10.1-173.857.60000114.1V277 M278 A279 A283 E431 Q433V277-S281 WeakPolarHBondContact O-CB 3.48Å; V277-S281 PolarHBondContact O-N 3.27Å; V277-S281 PolarHBondContact O-OG 2.85Å; M278-S281 PolarHBondContact O-N 3.1Å; M278-S281 VanDerWaalsContact O-N 3.16Å; M278-S281 PolarHBondContact O-OG 3.07Å; A279-S281 VanDerWaalsContact C-N 3.3Å; A279-S281 PolarHBondContact O-N 3.43Å; S281-A283 PolarHBondContact O-N 2.89Å; S281-E431 VanDerWaalsContact O-CB 3.3Å; S281-E431 WeakPolarHBondContact O-CB 3.36Å; S281-E431 PolarHBondContact OG-N 3.17Å; S281-Q433 PolarHBondContact O-NE2 3.3Å
282A98.9Very high98.7Very high4 Ų45 Ų53%0.0332%0.023CC..  trans-18.8111.5174.700000116.1M278 A279 D295 T575 M576 A577M278-A282 PolarHBondContact O-N 2.81Å; A279-A282 WeakPolarHBondContact O-CB 3.28Å; A282-D295 CarbonylContact C-O 3.59Å; A282-D295 HydrophobicContact CB-CB 3.94Å; A282-T575 HydrophobicContact CB-CG2 4.18Å; A282-T575 WeakPolarHBondContact O-CB 3.37Å; A282-M576 PolarHBondContact O-N 2.98Å; A282-A577 HydrophobicContact CB-CB 4.22Å; A282-A577 WeakPolarHBondContact O-CB 3.42Å; A282-A577 PolarHBondContact O-N 3.12Å
283A98.8Very high98.7Very high2 Ų27.8 Ų7.82%0.0174%0.037CC..  trans-145.416-174.300000115.4S281 D295 E431 M576S281-A283 PolarHBondContact O-N 2.89Å; A283-D295 PolarHBondContact N-O 3.24Å; A283-D295 VanDerWaalsContact N-O 3.12Å; A283-E431 HydrophobicContact CB-CB 3.83Å; A283-E431 HydrophobicContact CB-CG 4.47Å; A283-E431 PolarHBondContact N-OE2 3.24Å; A283-M576 HydrophobicContact CB-CB 3.74Å; A283-M576 HydrophobicContact CB-CG 4.07Å
284S98.5Very high98.7Very high0 Ų08.7 Ų8.70%04%0.042CC..  trans-130.367.8-176.450.80000114.4S146 Y287 D295 C296 R297 E431S146-S284 VanDerWaalsContact OG-CA 3.31Å; S146-S284 WeakPolarHBondContact OG-CA 3.46Å; S146-S284 VanDerWaalsContact OG-CB 3.23Å; S146-S284 WeakPolarHBondContact OG-CB 3.42Å; S284-Y287 VanDerWaalsContact CB-OH 3.31Å; S284-Y287 WeakPolarHBondContact CB-OH 3.5Å; S284-Y287 VanDerWaalsContact O-CE2 3.29Å; S284-Y287 WeakPolarHBondContact O-CE2 3.42Å; S284-Y287 PolarHBondContact OG-OH 2.71Å; S284-D295 PolarHBondContact N-O 2.85Å; S284-D295 PolarHBondContact OG-O 3.25Å; S284-C296 WeakPolarHBondContact OG-CA 3.49Å; S284-R297 PolarHBondContact OG-N 3.11Å; S284-E431 VanDerWaalsContact CB-OE2 3.32Å; S284-E431 WeakPolarHBondContact CB-OE2 3.42Å; S284-E431 PolarHBondContact N-OE2 2.87Å; S284-E431 PolarHBondContact OG-OE2 2.7Å
285P98.8Very high98.7Very high0 Ų08.9 Ų8.90%04%0.043CC..  trans-82.3-10.8-177.534-35.7000114.1S292 A577 M580 R581P285-S292 PolarHBondContact O-N 2.8Å; P285-S292 PolarHBondContact O-OG 2.82Å; P285-A577 HydrophobicContact CB-CB 4.2Å; P285-A577 HydrophobicContact CG-CB 4.21Å; P285-M580 HydrophobicContact CG-CB 3.83Å; P285-M580 HydrophobicContact CG-CE 4.34Å; P285-M580 HydrophobicContact CG-SD 4.03Å; P285-R581 HydrophobicContact CB-CG 3.78Å; P285-R581 VanDerWaalsContact CB-CZ 3.46Å; P285-R581 HydrophobicContact CG-CG 4.38Å
286F98.9Very high98.7Very high0 Ų08.9 Ų8.90%04%0.043CC..EExtended strand (participates in β ladder)trans-125.5132.9-168.4-54.7-34.6000112.2S146 P148 Y290 M291 M580 R581 V584 V596 L604S146-F286 PolarHBondContact OG-O 3.32Å; P148-F286 HydrophobicContact CB-CB 3.78Å; P148-F286 HydrophobicContact CB-CD2 3.85Å; P148-F286 HydrophobicContact CB-CG 4.24Å; P148-F286 HydrophobicContact CG-CB 4.42Å; P148-F286 HydrophobicContact CG-CD2 3.93Å; F286-Y290 VanDerWaalsContact CA-O 3.32Å; F286-Y290 WeakPolarHBondContact CA-O 3.46Å; F286-M291 HydrophobicContact CD1-CB 4.14Å; F286-M291 HydrophobicContact CD1-CG 4.05Å; F286-M291 HydrophobicContact CE1-CB 4.13Å; F286-M291 HydrophobicContact CE1-CE 3.83Å; F286-M291 HydrophobicContact CE1-CG 3.76Å; F286-M291 HydrophobicContact CE1-SD 4.23Å; F286-M291 HydrophobicContact CZ-CE 4.41Å; F286-M580 HydrophobicContact CD2-CE 3.67Å; F286-M580 HydrophobicContact CE2-CB 3.76Å; F286-M580 HydrophobicContact CE2-CE 3.85Å; F286-M580 HydrophobicContact CZ-CB 4.02Å; F286-M580 WeakPolarHBondContact CZ-O 3.41Å; F286-R581 HydrophobicContact CE1-CG 4.28Å; F286-V584 HydrophobicContact CE1-CG2 4.31Å; F286-V584 HydrophobicContact CE2-CG2 3.7Å; F286-V584 HydrophobicContact CZ-CB 4.08Å; F286-V584 HydrophobicContact CZ-CG2 3.4Å; F286-V596 HydrophobicContact CD1-CG2 4.15Å; F286-V596 HydrophobicContact CD2-CG2 4.5Å; F286-V596 HydrophobicContact CE1-CG2 4.42Å; F286-V596 HydrophobicContact CG-CG2 4.22Å; F286-L604 HydrophobicContact CD2-CD2 4.22Å; F286-L604 HydrophobicContact CE2-CD2 3.76Å
287Y98.8Very high98.7Very high5 Ų58.9 Ų8.92%0.024%0.043CC..EExtended strand (participates in β ladder)trans-139.7134.8178-68.6-76.9000110.2V205 M239 S284 G289 Y290 I294 R297 V300V205-Y287 HydrophobicContact CG1-CD2 4.05Å; M239-Y287 HydrophobicContact CE-CD1 3.97Å; M239-Y287 HydrophobicContact CE-CG 4.03Å; M239-Y287 HydrophobicContact SD-CD1 4.12Å; M239-Y287 HydrophobicContact SD-CG 4.36Å; S284-Y287 VanDerWaalsContact CB-OH 3.31Å; S284-Y287 WeakPolarHBondContact CB-OH 3.5Å; S284-Y287 VanDerWaalsContact O-CE2 3.29Å; S284-Y287 WeakPolarHBondContact O-CE2 3.42Å; S284-Y287 PolarHBondContact OG-OH 2.71Å; Y287-G289 PolarHBondContact O-N 3.36Å; Y287-G289 VanDerWaalsContact O-N 3.09Å; Y287-Y290 PolarHBondContact N-O 2.94Å; Y287-Y290 PolarHBondContact O-N 3.34Å; Y287-I294 HydrophobicContact CE2-CD1 4.03Å; Y287-I294 HydrophobicContact CE2-CG1 4.21Å; Y287-R297 VanDerWaalsContact OH-CA 3.28Å; Y287-R297 WeakPolarHBondContact OH-CA 3.24Å; Y287-V300 HydrophobicContact CD1-CG1 4.31Å; Y287-V300 HydrophobicContact CD1-CG2 4.36Å; Y287-V300 HydrophobicContact CE1-CB 4.16Å; Y287-V300 HydrophobicContact CE1-CG1 3.87Å; Y287-V300 HydrophobicContact CE1-CG2 3.82Å; Y287-V300 HydrophobicContact CE2-CG2 4.02Å
288R98.3Very high98.7Very high31 Ų319 Ų912%0.1174%0.043CC..THydrogen-bonded Turntrans51.934.9173.8-150.4-178.48685.6-4114.6L150 C152 E219 I237 Y238 M239 F244 Y290L150-R288 WeakPolarHBondContact O-CA 3.39Å; C152-R288 PolarHBondContact SG-O 2.77Å; C152-R288 VanDerWaalsContact SG-O 3.37Å; E219-R288 IonicContact OE1-CZ 3.12Å; E219-R288 IonicContact OE1-NE 3.31Å; E219-R288 IonicContact OE1-NH2 2.79Å; E219-R288 PolarHBondContact OE1-NH2 2.92Å; E219-R288 IonicContact OE2-NH2 3Å; I237-R288 HydrophobicContact CG2-CB 3.87Å; Y238-R288 VanDerWaalsContact O-CD 3.23Å; Y238-R288 WeakPolarHBondContact O-CD 3.22Å; Y238-R288 PolarHBondContact O-NE 2.91Å; M239-R288 HydrophobicContact CG-CB 4.26Å; M239-R288 HydrophobicContact SD-CB 4.37Å; F244-R288 HydrophobicContact CE1-CB 4.37Å; F244-R288 HydrophobicContact CE1-CG 4.12Å; F244-R288 HydrophobicContact CZ-CG 4.33Å; R288-Y290 VanDerWaalsContact C-N 3.33Å; R288-Y290 VanDerWaalsContact O-CD2 3.29Å; R288-Y290 WeakPolarHBondContact O-CD2 3.24Å
289G98.6Very high98.7Very high3 Ų310.3 Ų10.33%0.0316%0.057CC..THydrogen-bonded Turntrans78.515.2-179.400000114.4P148 Y287 V596P148-G289 WeakPolarHBondContact O-CA 3.35Å; P148-G289 PolarHBondContact O-N 3.11Å; Y287-G289 PolarHBondContact O-N 3.36Å; Y287-G289 VanDerWaalsContact O-N 3.09Å; G289-V596 PolarHBondContact O-N 3.3Å
290Y98.9Very high98.7Very high50 Ų5010.3 Ų10.320%0.1966%0.057CC..EExtended strand (participates in β ladder)trans-124.4152.1177.2-60.9-76000112.3I207 F217 E219 I237 F286 Y287 R288 S594 V595I207-Y290 HydrophobicContact CD1-CD1 4.27Å; F217-Y290 HydrophobicContact CE2-CD1 4.41Å; F217-Y290 AromaticContact CE2-CE1 3.91Å; F217-Y290 HydrophobicContact CE2-CE1 3.91Å; F217-Y290 HydrophobicContact CZ-CD1 4.31Å; F217-Y290 AromaticContact CZ-CE1 3.88Å; F217-Y290 HydrophobicContact CZ-CE1 3.88Å; F217-Y290 HydrophobicContact CZ-CE2 4.11Å; F217-Y290 AromaticContact CZ-CZ 3.75Å; E219-Y290 WeakPolarHBondContact OE1-CE2 3.38Å; I237-Y290 HydrophobicContact CG1-CD2 4.22Å; I237-Y290 HydrophobicContact CG1-CG 4.26Å; I237-Y290 HydrophobicContact CG2-CD2 3.98Å; F286-Y290 VanDerWaalsContact CA-O 3.32Å; F286-Y290 WeakPolarHBondContact CA-O 3.46Å; Y287-Y290 PolarHBondContact N-O 2.94Å; Y287-Y290 PolarHBondContact O-N 3.34Å; R288-Y290 VanDerWaalsContact C-N 3.33Å; R288-Y290 VanDerWaalsContact O-CD2 3.29Å; R288-Y290 WeakPolarHBondContact O-CD2 3.24Å; Y290-S594 CarbonylContact C-O 3.55Å; Y290-S594 VanDerWaalsContact CA-O 3.23Å; Y290-S594 WeakPolarHBondContact CA-O 3.27Å; Y290-V595 HydrophobicContact CD1-CG2 4.16Å; Y290-V595 HydrophobicContact CE1-CG2 3.97Å
291M98.8Very high98.7Very high5 Ų510.8 Ų10.83%0.0256%0.059CC..EExtended strand (participates in β ladder)trans-77.6123.3167.2-169.2171.9-42.600110.2I207 Y208 F286 R581 V584 Y590 S594I207-M291 WeakPolarHBondContact CG1-O 3.43Å; Y208-M291 VanDerWaalsContact CB-O 3.3Å; Y208-M291 WeakPolarHBondContact CB-O 3.49Å; Y208-M291 HydrophobicContact CD1-CB 4.29Å; Y208-M291 HydrophobicContact CD1-CG 3.9Å; Y208-M291 HydrophobicContact CD1-SD 3.38Å; Y208-M291 WeakPolarHBondContact CD1-SD 3.18Å; Y208-M291 HydrophobicContact CE1-SD 3.85Å; Y208-M291 HydrophobicContact CG-CG 4.08Å; Y208-M291 HydrophobicContact CG-SD 4Å; Y208-M291 PolarHBondContact N-O 3.39Å; F286-M291 HydrophobicContact CD1-CB 4.14Å; F286-M291 HydrophobicContact CD1-CG 4.05Å; F286-M291 HydrophobicContact CE1-CB 4.13Å; F286-M291 HydrophobicContact CE1-CE 3.83Å; F286-M291 HydrophobicContact CE1-CG 3.76Å; F286-M291 HydrophobicContact CE1-SD 4.23Å; F286-M291 HydrophobicContact CZ-CE 4.41Å; M291-R581 HydrophobicContact SD-CB 4.43Å; M291-R581 HydrophobicContact SD-CG 4.05Å; M291-R581 PolarHBondContact SD-NH1 2.95Å; M291-V584 HydrophobicContact CE-CB 3.94Å; M291-V584 HydrophobicContact CE-CG1 3.63Å; M291-Y590 HydrophobicContact CE-CE2 4.49Å; M291-S594 PolarHBondContact N-O 2.56Å
292S98.6Very high98.7Very high0 Ų011.5 Ų11.50%06%0.064CC..BIsolated β-bridgetrans-94.4167.217968.20000112.3V205 P206 P285 I294 R581V205-S292 VanDerWaalsContact CG1-CB 3.43Å; P206-S292 CarbonylContact O-C 3.39Å; P206-S292 WeakPolarHBondContact O-CA 3.45Å; P285-S292 PolarHBondContact O-N 2.8Å; P285-S292 PolarHBondContact O-OG 2.82Å; S292-I294 VanDerWaalsContact C-N 3.33Å; S292-I294 PolarHBondContact OG-O 2.8Å; S292-I294 VanDerWaalsContact OG-O 3.06Å; S292-R581 PolarHBondContact O-NH1 3.38Å; S292-R581 PolarHBondContact O-NH2 3.34Å
293D98.5Very high98.7Very high59 Ų5912.3 Ų12.332%0.3167%0.071SC..SBendtrans-96.821.3174.3-152.835000113.1P206 R477P206-D293 HydrophobicContact CB-CB 4.01Å; P206-D293 HydrophobicContact CG-CB 4.05Å; P206-D293 PolarHBondContact O-N 3.17Å; D293-R477 PolarHBondContact O-N 3.41Å; D293-R477 IonicContact OD1-CZ 3.9Å; D293-R477 IonicContact OD1-NE 3.23Å; D293-R477 IonicContact OD1-NH1 2.73Å; D293-R477 PolarHBondContact OD1-NH1 2.6Å; D293-R477 IonicContact OD1-NH2 2.9Å
294I98.6Very high98.7Very high21 Ų2112.2 Ų12.211%0.1087%0.07CC..BIsolated β-bridgetrans-128.1157173.761.9171.1000110.2V205 P206 Y287 S292 V300 Q475 R581V205-I294 HydrophobicContact CG1-CD1 3.6Å; V205-I294 HydrophobicContact CG1-CG1 3.73Å; V205-I294 HydrophobicContact CG2-CD1 4.31Å; P206-I294 HydrophobicContact CG-CG2 3.92Å; Y287-I294 HydrophobicContact CE2-CD1 4.03Å; Y287-I294 HydrophobicContact CE2-CG1 4.21Å; S292-I294 VanDerWaalsContact C-N 3.33Å; S292-I294 PolarHBondContact OG-O 2.8Å; S292-I294 VanDerWaalsContact OG-O 3.06Å; I294-V300 HydrophobicContact CD1-CG2 4.07Å; I294-Q475 CarbonylContact C-O 3.54Å; I294-Q475 WeakPolarHBondContact CA-O 3.37Å; I294-Q475 VanDerWaalsContact CB-O 3.24Å; I294-Q475 WeakPolarHBondContact CB-O 3.34Å; I294-R581 PolarHBondContact O-NH2 3.39Å
295D98.8Very high98.7Very high4 Ų412.2 Ų12.22%0.0217%0.07CC..  trans-118.3-1.9-178.1-75.7-14.8000114.4A282 A283 S284 Q475 R477 N478 A577 R581A282-D295 CarbonylContact C-O 3.59Å; A282-D295 HydrophobicContact CB-CB 3.94Å; A283-D295 PolarHBondContact N-O 3.24Å; A283-D295 VanDerWaalsContact N-O 3.12Å; S284-D295 PolarHBondContact N-O 2.85Å; S284-D295 PolarHBondContact OG-O 3.25Å; D295-Q475 PolarHBondContact N-O 3.05Å; D295-R477 WeakPolarHBondContact OD2-CA 3.25Å; D295-N478 PolarHBondContact OD2-N 2.89Å; D295-A577 HydrophobicContact CB-CB 3.68Å; D295-R581 IonicContact OD1-CZ 2.8Å; D295-R581 IonicContact OD1-NE 3.55Å; D295-R581 PolarHBondContact OD1-NE 3.37Å; D295-R581 IonicContact OD1-NH2 3.61Å; D295-R581 PolarHBondContact OD1-NH2 3.25Å
296C98.8Very high98.7Very high0 Ų012.9 Ų12.90%07%0.073CC..  trans-130.5147.3-175-59.50000111.9M278 S284 W298 E431 A474 Q475M278-C296 HydrophobicContact CG-CB 3.96Å; M278-C296 HydrophobicContact SD-CB 4.27Å; S284-C296 WeakPolarHBondContact OG-CA 3.49Å; C296-W298 VanDerWaalsContact C-N 3.3Å; C296-W298 PolarHBondContact O-N 2.86Å; C296-E431 WeakPolarHBondContact CA-OE2 3.37Å; C296-A474 PolarHBondContact SG-O 2.75Å; C296-Q475 HydrophobicContact CB-CG 4.2Å
297R98.6Very high98.7Very high1 Ų112.9 Ų12.90%0.0047%0.073CC..SBendtrans-78.1-12.2-17284.8-165.9-179.8-78.1-3.4115T145 S284 Y287 G299 V300 I301 R428 M430 E431T145-R297 HydrophobicContact CG2-CB 3.92Å; T145-R297 HydrophobicContact CG2-CG 4.25Å; S284-R297 PolarHBondContact OG-N 3.11Å; Y287-R297 VanDerWaalsContact OH-CA 3.28Å; Y287-R297 WeakPolarHBondContact OH-CA 3.24Å; R297-G299 PolarHBondContact O-N 2.94Å; R297-V300 WeakPolarHBondContact O-CA 3.44Å; R297-V300 WeakPolarHBondContact O-CB 3.32Å; R297-V300 PolarHBondContact O-N 2.97Å; R297-I301 HydrophobicContact CG-CG2 4.21Å; R297-I301 WeakPolarHBondContact O-CG2 3.37Å; R297-I301 PolarHBondContact O-N 2.72Å; R297-R428 PolarHBondContact NH2-O 3.37Å; R297-M430 PolarHBondContact NH1-O 2.74Å; R297-M430 PolarHBondContact NH2-O 2.89Å; R297-E431 WeakPolarHBondContact CB-OE1 3.28Å; R297-E431 WeakPolarHBondContact CD-OE1 3.39Å; R297-E431 WeakPolarHBondContact CG-OE1 3.35Å; R297-E431 IonicContact CZ-OE1 3.37Å; R297-E431 PolarHBondContact N-OE1 3.04Å; R297-E431 PolarHBondContact N-OE2 3.07Å; R297-E431 IonicContact NE-OE1 3.24Å; R297-E431 IonicContact NH1-OE1 2.77Å; R297-E431 PolarHBondContact NH1-OE1 3.46Å
298W98.6Very high98.6Very high3 Ų314.1 Ų14.11%0.0118%0.078CC..Hα-helixtrans-56.3-47.5-161.2-165.9-96000113.7M278 C296 V300 I301 S302 Y330 D331 T409 P429 M471 Q475M278-W298 HydrophobicContact CE-CB 4.42Å; M278-W298 HydrophobicContact SD-CB 3.53Å; M278-W298 VanDerWaalsContact SD-CB 3.53Å; M278-W298 HydrophobicContact SD-CD2 4.36Å; M278-W298 HydrophobicContact SD-CG 3.95Å; C296-W298 VanDerWaalsContact C-N 3.3Å; C296-W298 PolarHBondContact O-N 2.86Å; W298-V300 VanDerWaalsContact C-N 3.33Å; W298-V300 PolarHBondContact O-N 3.18Å; W298-I301 VanDerWaalsContact O-CG2 3.24Å; W298-I301 WeakPolarHBondContact O-CG2 3.47Å; W298-I301 PolarHBondContact O-N 3.25Å; W298-S302 WeakPolarHBondContact O-CB 3.2Å; W298-S302 PolarHBondContact O-N 3.18Å; W298-Y330 HydrophobicContact CD2-CE1 4.01Å; W298-Y330 AromaticContact CE2-CE1 3.84Å; W298-Y330 AromaticContact CE3-CE1 3.9Å; W298-Y330 HydrophobicContact CE3-CE1 3.9Å; W298-Y330 HydrophobicContact CH2-CD1 4.31Å; W298-Y330 AromaticContact CH2-CE1 3.41Å; W298-Y330 HydrophobicContact CH2-CE1 3.41Å; W298-Y330 VanDerWaalsContact CH2-CE1 3.41Å; W298-Y330 AromaticContact CH2-CZ 3.94Å; W298-Y330 HydrophobicContact CZ2-CD1 4.06Å; W298-Y330 AromaticContact CZ2-CE1 3.53Å; W298-Y330 HydrophobicContact CZ2-CE1 3.53Å; W298-Y330 AromaticContact CZ3-CE1 3.61Å; W298-Y330 HydrophobicContact CZ3-CE1 3.61Å; W298-Y330 AromaticContact CZ3-CZ 3.92Å; W298-Y330 WeakPolarHBondContact CZ3-OH 3.42Å; W298-D331 WeakPolarHBondContact CZ2-O 3.3Å; W298-T409 HydrophobicContact CD2-CG2 4.39Å; W298-T409 HydrophobicContact CH2-CG2 3.56Å; W298-T409 HydrophobicContact CZ2-CG2 3.24Å; W298-T409 HydrophobicContact CZ3-CG2 4.24Å; W298-P429 HydrophobicContact CE3-CB 4.4Å; W298-P429 HydrophobicContact CZ3-CB 4.25Å; W298-M471 HydrophobicContact CD2-CE 3.87Å; W298-M471 HydrophobicContact CG-CE 3.79Å; W298-Q475 HydrophobicContact CB-CG 4.34Å
299G98.4Very high98.6Very high28 Ų2813.6 Ų13.629%0.2898%0.078SC..Hα-helixtrans-66.8-33.3177.600000113.1R297 A303R297-G299 PolarHBondContact O-N 2.94Å; G299-A303 WeakPolarHBondContact O-CB 3.22Å; G299-A303 PolarHBondContact O-N 2.94Å; G299-A303 VanDerWaalsContact O-N 3.07Å
300V98.8Very high98.6Very high1 Ų116.3 Ų16.31%0.0069%0.09CC..Hα-helixtrans-67-50.5176.3177.60000110.5I203 V205 M239 F244 Y287 I294 R297 W298 A303 S304I203-V300 HydrophobicContact CD1-CG1 4.44Å; I203-V300 HydrophobicContact CG2-CB 4.42Å; I203-V300 HydrophobicContact CG2-CG1 4.16Å; I203-V300 HydrophobicContact CG2-CG2 4.39Å; V205-V300 HydrophobicContact CG2-CG2 3.48Å; V205-V300 VanDerWaalsContact CG2-CG2 3.48Å; M239-V300 HydrophobicContact CE-CG1 4.04Å; M239-V300 HydrophobicContact CE-CG2 4.38Å; F244-V300 WeakPolarHBondContact O-CG1 3.47Å; Y287-V300 HydrophobicContact CD1-CG1 4.31Å; Y287-V300 HydrophobicContact CD1-CG2 4.36Å; Y287-V300 HydrophobicContact CE1-CB 4.16Å; Y287-V300 HydrophobicContact CE1-CG1 3.87Å; Y287-V300 HydrophobicContact CE1-CG2 3.82Å; Y287-V300 HydrophobicContact CE2-CG2 4.02Å; I294-V300 HydrophobicContact CD1-CG2 4.07Å; R297-V300 WeakPolarHBondContact O-CA 3.44Å; R297-V300 WeakPolarHBondContact O-CB 3.32Å; R297-V300 PolarHBondContact O-N 2.97Å; W298-V300 VanDerWaalsContact C-N 3.33Å; W298-V300 PolarHBondContact O-N 3.18Å; V300-A303 PolarHBondContact O-N 3.04Å; V300-S304 WeakPolarHBondContact O-CB 3.47Å; V300-S304 PolarHBondContact O-N 2.82Å
301I98.8Very high98.6Very high10 Ų1014.9 Ų14.95%0.0519%0.085CC..Hα-helixtrans-67.1-38.3178.9-169.3165.7000112.1M246 R297 W298 A303 S304 Y330M246-I301 HydrophobicContact CG-CD1 4.45Å; M246-I301 HydrophobicContact CG-CG1 4.38Å; M246-I301 HydrophobicContact SD-CD1 3.99Å; M246-I301 HydrophobicContact SD-CG1 4.35Å; R297-I301 HydrophobicContact CG-CG2 4.21Å; R297-I301 WeakPolarHBondContact O-CG2 3.37Å; R297-I301 PolarHBondContact O-N 2.72Å; W298-I301 VanDerWaalsContact O-CG2 3.24Å; W298-I301 WeakPolarHBondContact O-CG2 3.47Å; W298-I301 PolarHBondContact O-N 3.25Å; I301-A303 VanDerWaalsContact C-N 3.35Å; I301-A303 PolarHBondContact O-N 2.61Å; I301-S304 PolarHBondContact O-N 2.7Å; I301-S304 PolarHBondContact O-OG 3.45Å; I301-Y330 HydrophobicContact CB-CE1 4.41Å; I301-Y330 HydrophobicContact CB-CE2 4.45Å; I301-Y330 HydrophobicContact CD1-CD2 4.21Å; I301-Y330 HydrophobicContact CD1-CE2 3.41Å; I301-Y330 VanDerWaalsContact CD1-CE2 3.41Å; I301-Y330 HydrophobicContact CG1-CD2 3.86Å; I301-Y330 HydrophobicContact CG1-CE1 4.32Å; I301-Y330 HydrophobicContact CG1-CE2 3.53Å; I301-Y330 HydrophobicContact CG1-CG 4.43Å; I301-Y330 HydrophobicContact CG2-CD1 3.97Å; I301-Y330 HydrophobicContact CG2-CE1 3.38Å; I301-Y330 HydrophobicContact CG2-CE2 4.14Å; I301-Y330 VanDerWaalsContact CG2-CZ 3.5Å
302S98.8Very high98.5Very high14 Ų1415 Ų1510%0.0989%0.086CC..Hα-helixtrans-55.3-48.5173.6178.30000112.3W298 D306 S328 Y330W298-S302 WeakPolarHBondContact O-CB 3.2Å; W298-S302 PolarHBondContact O-N 3.18Å; S302-D306 PolarHBondContact O-N 3.42Å; S302-S328 WeakPolarHBondContact O-CB 3.27Å; S302-S328 PolarHBondContact O-OG 3.12Å; S302-Y330 WeakPolarHBondContact CA-O 3.25Å; S302-Y330 WeakPolarHBondContact CB-O 3.39Å; S302-Y330 PolarHBondContact OG-O 2.91Å
303A98.8Very high98.5Very high22 Ų2217.8 Ų17.818%0.18210%0.096CC..Hα-helixtrans-71.6-29.9179.300000113I203 G299 V300 I301 V305 D306I203-A303 HydrophobicContact CB-CB 4.26Å; I203-A303 HydrophobicContact CG1-CB 3.82Å; I203-A303 HydrophobicContact CG2-CB 4.13Å; G299-A303 WeakPolarHBondContact O-CB 3.22Å; G299-A303 PolarHBondContact O-N 2.94Å; G299-A303 VanDerWaalsContact O-N 3.07Å; V300-A303 PolarHBondContact O-N 3.04Å; I301-A303 VanDerWaalsContact C-N 3.35Å; I301-A303 PolarHBondContact O-N 2.61Å; A303-V305 PolarHBondContact O-N 3.23Å; A303-D306 PolarHBondContact O-N 2.85Å
304S98.7Very high98.4Very high0 Ų017 Ų170%010%0.102CC..Hα-helixtrans-67.3-18.9-17779.90000114.8V201 M242 G245 V300 I301V201-S304 WeakPolarHBondContact CG1-O 3.18Å; M242-S304 VanDerWaalsContact CA-O 3.28Å; M242-S304 WeakPolarHBondContact CA-O 3.41Å; M242-S304 WeakPolarHBondContact CB-O 3.36Å; G245-S304 WeakPolarHBondContact CA-OG 3.43Å; V300-S304 WeakPolarHBondContact O-CB 3.47Å; V300-S304 PolarHBondContact O-N 2.82Å; I301-S304 PolarHBondContact O-N 2.7Å; I301-S304 PolarHBondContact O-OG 3.45Å
305V98.6Very high98.3Very high0 Ų021.6 Ų21.60%013%0.126CC..THydrogen-bonded Turntrans-127.319.2178.8-63.30000112.9I193 M242 M246 A303 D307 R329 Y330 W407I193-V305 HydrophobicContact CD1-CB 3.89Å; I193-V305 HydrophobicContact CD1-CG1 3.96Å; M242-V305 HydrophobicContact CE-CG1 3.74Å; M242-V305 HydrophobicContact CG-CG1 3.7Å; M242-V305 HydrophobicContact SD-CG1 3.89Å; M246-V305 HydrophobicContact CE-CB 4.41Å; M246-V305 HydrophobicContact CE-CG1 3.64Å; M246-V305 HydrophobicContact CE-CG2 4.07Å; M246-V305 HydrophobicContact CG-CG1 3.74Å; A303-V305 PolarHBondContact O-N 3.23Å; V305-D307 PolarHBondContact O-N 3.01Å; V305-R329 WeakPolarHBondContact O-CG 3.41Å; V305-Y330 VanDerWaalsContact CG2-CB 3.42Å; V305-Y330 HydrophobicContact CG2-CD2 4.14Å; V305-Y330 HydrophobicContact CG2-CG 4.15Å; V305-W407 HydrophobicContact CB-CZ3 4.3Å; V305-W407 HydrophobicContact CG2-CE3 4.09Å; V305-W407 HydrophobicContact CG2-CZ3 4.11Å
306D98.7Very high98.2Very high13 Ų1326.6 Ų26.67%0.0715%0.148CC..  trans-71.8100.7176.3-177.111.1000109.6R197 S302 A303 R308 S328R197-D306 WeakPolarHBondContact CD-O 3.43Å; R197-D306 PolarHBondContact NH1-O 3.5Å; R197-D306 IonicContact NH1-OD1 3.35Å; R197-D306 IonicContact NH1-OD2 3.5Å; R197-D306 PolarHBondContact NH1-OD2 2.88Å; R197-D306 VanDerWaalsContact NH1-OD2 3.15Å; S302-D306 PolarHBondContact O-N 3.42Å; A303-D306 PolarHBondContact O-N 2.85Å; D306-R308 VanDerWaalsContact C-N 3.3Å; D306-R308 VanDerWaalsContact OD1-CB 3.28Å; D306-R308 WeakPolarHBondContact OD1-CB 3.43Å; D306-R308 VanDerWaalsContact OD1-CG 3.26Å; D306-R308 WeakPolarHBondContact OD1-CG 3.33Å; D306-R308 IonicContact OD1-CZ 2.66Å; D306-R308 PolarHBondContact OD1-N 3.29Å; D306-R308 VanDerWaalsContact OD1-N 3.15Å; D306-R308 IonicContact OD1-NE 3.68Å; D306-R308 PolarHBondContact OD1-NE 2.94Å; D306-R308 IonicContact OD1-NH2 3.63Å; D306-R308 IonicContact OD2-CZ 3.29Å; D306-R308 IonicContact OD2-NE 2.75Å; D306-R308 PolarHBondContact OD2-NE 3.48Å; D306-R308 IonicContact OD2-NH2 3.06Å; D306-R308 PolarHBondContact OD2-NH2 2.98Å; D306-S328 WeakPolarHBondContact CA-OG 3.43Å
307D98.5Very high98.1Very high0 Ų030.8 Ų30.80%018%0.175CC..  trans-86.41.4-179.167.9-16.3000113.6I193 R196 R197 V305 T309 R329 L381I193-D307 HydrophobicContact CB-CB 4.48Å; I193-D307 HydrophobicContact CG1-CB 4.31Å; I193-D307 HydrophobicContact CG2-CB 4.09Å; R196-D307 WeakPolarHBondContact CD-OD2 3.45Å; R196-D307 IonicContact CZ-OD2 2.97Å; R196-D307 IonicContact NE-OD2 3.27Å; R196-D307 PolarHBondContact NH1-O 3.04Å; R196-D307 IonicContact NH1-OD1 3.56Å; R196-D307 IonicContact NH1-OD2 3.6Å; R197-D307 WeakPolarHBondContact CA-O 3.32Å; V305-D307 PolarHBondContact O-N 3.01Å; D307-T309 PolarHBondContact O-N 3.46Å; D307-R329 IonicContact OD2-CZ 2.78Å; D307-R329 IonicContact OD2-NH1 2.61Å; D307-R329 PolarHBondContact OD2-NH1 2.73Å; D307-L381 HydrophobicContact CB-CD1 4.43Å
308R98.6Very high97.9Very high32 Ų3233.9 Ų33.912%0.12119%0.191CC..  trans-66129.2-172.9-68176.6-65.5174.3-1.3112.8D306 E312 R313 I325 F326 K327D306-R308 VanDerWaalsContact C-N 3.3Å; D306-R308 VanDerWaalsContact OD1-CB 3.28Å; D306-R308 WeakPolarHBondContact OD1-CB 3.43Å; D306-R308 VanDerWaalsContact OD1-CG 3.26Å; D306-R308 WeakPolarHBondContact OD1-CG 3.33Å; D306-R308 IonicContact OD1-CZ 2.66Å; D306-R308 PolarHBondContact OD1-N 3.29Å; D306-R308 VanDerWaalsContact OD1-N 3.15Å; D306-R308 IonicContact OD1-NE 3.68Å; D306-R308 PolarHBondContact OD1-NE 2.94Å; D306-R308 IonicContact OD1-NH2 3.63Å; D306-R308 IonicContact OD2-CZ 3.29Å; D306-R308 IonicContact OD2-NE 2.75Å; D306-R308 PolarHBondContact OD2-NE 3.48Å; D306-R308 IonicContact OD2-NH2 3.06Å; D306-R308 PolarHBondContact OD2-NH2 2.98Å; R308-E312 VanDerWaalsContact CA-OE2 3.25Å; R308-E312 WeakPolarHBondContact CA-OE2 3.21Å; R308-E312 HydrophobicContact CB-CB 3.96Å; R308-E312 HydrophobicContact CG-CB 4.26Å; R308-R313 HydrophobicContact CB-CG 3.74Å; R308-R313 PolarHBondContact O-NE 2.76Å; R308-R313 PolarHBondContact O-NH2 2.91Å; R308-I325 VanDerWaalsContact CD-O 3.25Å; R308-I325 WeakPolarHBondContact CD-O 3.3Å; R308-I325 HydrophobicContact CG-CB 4.4Å; R308-I325 PolarHBondContact NH1-O 2.72Å; R308-F326 PolarHBondContact NH1-O 2.72Å; R308-K327 WeakPolarHBondContact CD-O 3.41Å
309T98.3Very high97.8Very high19 Ų1941.8 Ų41.812%0.11723%0.226CC..  trans-64.4167.6172.475.30000111.2R196 D307 E311 E312 R313 N321R196-T309 WeakPolarHBondContact O-CG2 3.48Å; D307-T309 PolarHBondContact O-N 3.46Å; T309-E311 PolarHBondContact O-N 2.77Å; T309-E311 PolarHBondContact OG1-N 3.09Å; T309-E312 PolarHBondContact N-OE2 2.89Å; T309-E312 PolarHBondContact O-N 2.79Å; T309-E312 PolarHBondContact OG1-N 3.07Å; T309-R313 PolarHBondContact O-N 2.76Å; T309-R313 PolarHBondContact O-NE 3.44Å; T309-N321 PolarHBondContact OG1-OD1 3.46Å
310Q97.6Very high97.5Very high60 Ų6047.1 Ų47.128%0.2825%0.247SC..THydrogen-bonded Turntrans-61.4-28.9172.2-66.5-178.71200112.2E199 L315 K316E199-Q310 PolarHBondContact OE2-NE2 2.97Å; Q310-L315 HydrophobicContact CB-CB 4.23Å; Q310-L315 HydrophobicContact CG-CD1 4.43Å; Q310-L315 WeakPolarHBondContact O-CA 3.41Å; Q310-L315 WeakPolarHBondContact O-CB 3.41Å; Q310-L315 PolarHBondContact O-N 3.48Å; Q310-K316 HydrophobicContact CB-CD 4.12Å; Q310-K316 HydrophobicContact CB-CG 4.34Å; Q310-K316 PolarHBondContact O-N 3.28Å; Q310-K316 VanDerWaalsContact O-N 3.15Å
311E97.9Very high97.2Very high21 Ų2148.8 Ų48.810%0.09826%0.257CS..THydrogen-bonded Turntrans-72.5-42.8173.2-55.8-173.8-169.500110.9T309 R313 G314 K316 P317 L318 K319 N320 N321 R324T309-E311 PolarHBondContact O-N 2.77Å; T309-E311 PolarHBondContact OG1-N 3.09Å; E311-R313 VanDerWaalsContact C-N 3.28Å; E311-R313 PolarHBondContact O-N 3.06Å; E311-G314 PolarHBondContact O-N 3.04Å; E311-K316 HydrophobicContact CG-CB 4.19Å; E311-P317 WeakPolarHBondContact CG-O 3.37Å; E311-L318 HydrophobicContact CB-CD2 4.04Å; E311-K319 PolarHBondContact OE2-N 3.03Å; E311-N320 PolarHBondContact OE1-ND2 3.13Å; E311-N320 PolarHBondContact OE2-N 3.46Å; E311-N321 HydrophobicContact CB-CB 4.38Å; E311-N321 PolarHBondContact OE2-N 3.11Å; E311-N321 VanDerWaalsContact OE2-N 3.15Å; E311-R324 PolarHBondContact O-NH1 2.77Å
312E98.4Very high97Very high6 Ų654.4 Ų54.43%0.02828%0.281CS..THydrogen-bonded Turntrans-65.7-34.1178.6-70.2166.9155.100111.9R196 R308 T309 G314 N321 Y323 I325R196-E312 IonicContact CZ-OE1 3.99Å; R196-E312 IonicContact CZ-OE2 3.68Å; R196-E312 IonicContact NH1-OE1 3.62Å; R196-E312 IonicContact NH1-OE2 2.71Å; R196-E312 PolarHBondContact NH1-OE2 3.39Å; R196-E312 IonicContact NH2-OE1 2.65Å; R196-E312 PolarHBondContact NH2-OE1 2.86Å; R196-E312 IonicContact NH2-OE2 3.81Å; R196-E312 PolarHBondContact NH2-OE2 3.37Å; R308-E312 VanDerWaalsContact CA-OE2 3.25Å; R308-E312 WeakPolarHBondContact CA-OE2 3.21Å; R308-E312 HydrophobicContact CB-CB 3.96Å; R308-E312 HydrophobicContact CG-CB 4.26Å; T309-E312 PolarHBondContact N-OE2 2.89Å; T309-E312 PolarHBondContact O-N 2.79Å; T309-E312 PolarHBondContact OG1-N 3.07Å; E312-G314 VanDerWaalsContact C-N 3.31Å; E312-G314 PolarHBondContact O-N 3.31Å; E312-N321 VanDerWaalsContact CD-ND2 3.33Å; E312-N321 HydrophobicContact CG-CB 3.82Å; E312-N321 PolarHBondContact OE1-ND2 3.38Å; E312-Y323 WeakPolarHBondContact CG-O 3.44Å; E312-I325 HydrophobicContact CB-CB 4.46Å; E312-I325 HydrophobicContact CB-CD1 4.28Å; E312-I325 HydrophobicContact CB-CG1 4.27Å; E312-I325 HydrophobicContact CG-CD1 4.04Å; E312-I325 HydrophobicContact CG-CG1 4.34Å; E312-I325 PolarHBondContact O-N 3.43Å
313R97.5Very high96.9Very high60 Ų6055.2 Ų55.223%0.22628%0.282CS..THydrogen-bonded Turntrans-76-3.7178.3-78.6-179.2-74.3157.8-4.5115.9R197 E199 R308 T309 E311 L315R197-R313 VanDerWaalsContact NH2-NH1 3.11Å; E199-R313 IonicContact OE1-CZ 3.93Å; E199-R313 VanDerWaalsContact OE1-CZ 3.29Å; E199-R313 IonicContact OE1-NH1 2.77Å; E199-R313 PolarHBondContact OE1-NH1 2.91Å; E199-R313 IonicContact OE1-NH2 3.76Å; E199-R313 PolarHBondContact OE1-NH2 3.42Å; R308-R313 HydrophobicContact CB-CG 3.74Å; R308-R313 PolarHBondContact O-NE 2.76Å; R308-R313 PolarHBondContact O-NH2 2.91Å; T309-R313 PolarHBondContact O-N 2.76Å; T309-R313 PolarHBondContact O-NE 3.44Å; E311-R313 VanDerWaalsContact C-N 3.28Å; E311-R313 PolarHBondContact O-N 3.06Å; R313-L315 HydrophobicContact CB-CD1 4.34Å; R313-L315 HydrophobicContact CB-CG 4.13Å
314G96.7Very high96.8Very high42 Ų4258.2 Ų58.243%0.43329%0.288SS..THydrogen-bonded Turntrans90.4-8.5-17700000115.4E311 E312E311-G314 PolarHBondContact O-N 3.04Å; E312-G314 VanDerWaalsContact C-N 3.31Å; E312-G314 PolarHBondContact O-N 3.31Å
315L96.1Very high96.7Very high117 Ų11758.3 Ų58.361%0.61329%0.289SS*.SBendtrans-76.8-25.8-171.2-56.2177.3000113.5Q310 R313Q310-L315 HydrophobicContact CB-CB 4.23Å; Q310-L315 HydrophobicContact CG-CD1 4.43Å; Q310-L315 WeakPolarHBondContact O-CA 3.41Å; Q310-L315 WeakPolarHBondContact O-CB 3.41Å; Q310-L315 PolarHBondContact O-N 3.48Å; R313-L315 HydrophobicContact CB-CD1 4.34Å; R313-L315 HydrophobicContact CB-CG 4.13Å
316K96.7Very high96.6Very high109 Ų10964.1 Ų64.147%0.47431%0.314SS..SBendtrans-129.8155.5173.4-75177.7173.4159.80110.5Q310 E311 R324Q310-K316 HydrophobicContact CB-CD 4.12Å; Q310-K316 HydrophobicContact CB-CG 4.34Å; Q310-K316 PolarHBondContact O-N 3.28Å; Q310-K316 VanDerWaalsContact O-N 3.15Å; E311-K316 HydrophobicContact CG-CB 4.19Å; K316-R324 PolarHBondContact O-NH1 3.4Å; K316-R324 PolarHBondContact O-NH2 2.76Å
317P96.4Very high96.6Very high88 Ų8864.5 Ų64.557%0.57132%0.315SS*.  trans-58.8145.9173.2-22.433.6000112.2E311 K319E311-P317 WeakPolarHBondContact CG-O 3.37Å; P317-K319 PolarHBondContact O-N 3.48Å
318L95.9Very high96.6Very high67 Ų6764.7 Ų64.735%0.35132%0.316SS..  trans-65.9120.9172.2-70.1174.4000109.9E311 N321 Y323 R324E311-L318 HydrophobicContact CB-CD2 4.04Å; L318-N321 HydrophobicContact CD2-CB 4.07Å; L318-Y323 VanDerWaalsContact CD2-O 3.31Å; L318-Y323 WeakPolarHBondContact CD2-O 3.34Å; L318-R324 HydrophobicContact CD1-CG 3.89Å; L318-R324 HydrophobicContact CG-CG 4.37Å
319K94.8Very high96.5Very high169 Ų16963.2 Ų63.274%0.73531%0.311SS*.SBendtrans-134.7-40.9175.8-68.5-173.7178.3-1760111.9E311 P317E311-K319 PolarHBondContact OE2-N 3.03Å; P317-K319 PolarHBondContact O-N 3.48Å
320N92.1Very high96.5Very high139 Ų13962.5 Ų62.574%0.74331%0.306SS*.SBendtrans-111.5-25.5-176-56.3-71.8000112.5E311E311-N320 PolarHBondContact OE1-ND2 3.13Å; E311-N320 PolarHBondContact OE2-N 3.46Å
321N93.9Very high96.6Very high37 Ų3761.4 Ų61.420%0.19830%0.302CS..  trans-95.2149.5175.9-66.597.8000111.5T309 E311 E312 L318T309-N321 PolarHBondContact OG1-OD1 3.46Å; E311-N321 HydrophobicContact CB-CB 4.38Å; E311-N321 PolarHBondContact OE2-N 3.11Å; E311-N321 VanDerWaalsContact OE2-N 3.15Å; E312-N321 VanDerWaalsContact CD-ND2 3.33Å; E312-N321 HydrophobicContact CG-CB 3.82Å; E312-N321 PolarHBondContact OE1-ND2 3.38Å; L318-N321 HydrophobicContact CD2-CB 4.07Å
322K93.1Very high96.6Very high128 Ų12860.5 Ų60.556%0.55730%0.298SS*.SBendtrans-78.5-29.2-179.8-170.1174.1172-169.50112.9D352K322-D352 IonicContact NZ-OD1 2.86Å; K322-D352 IonicContact NZ-OD2 2.71Å; K322-D352 PolarHBondContact NZ-OD2 3.16Å
323Y96.6Very high96.6Very high31 Ų3160.2 Ų60.212%0.12230%0.297CS..  trans-129.9145.2-165.1-56.3-59.3000113.5E312 L318 T350 D352 I377E312-Y323 WeakPolarHBondContact CG-O 3.44Å; L318-Y323 VanDerWaalsContact CD2-O 3.31Å; L318-Y323 WeakPolarHBondContact CD2-O 3.34Å; Y323-T350 HydrophobicContact CD1-CG2 3.85Å; Y323-T350 HydrophobicContact CG-CG2 4.06Å; Y323-D352 WeakPolarHBondContact OH-CA 3.4Å; Y323-D352 VanDerWaalsContact OH-CB 3.25Å; Y323-D352 WeakPolarHBondContact OH-CB 3.42Å; Y323-D352 PolarHBondContact OH-OD2 2.99Å; Y323-I377 HydrophobicContact CD2-CB 3.77Å; Y323-I377 HydrophobicContact CD2-CG2 4.32Å; Y323-I377 HydrophobicContact CE2-CB 3.8Å; Y323-I377 HydrophobicContact CE2-CG2 4.11Å; Y323-I377 HydrophobicContact CG-CB 4.42Å
324R96.8Very high96.6Very high84 Ų8458.1 Ų58.132%0.31729%0.29SS..  trans-79.2137.2152.1-67.6-57.8-167.9-1794.2107.4E311 K316 L318 T350E311-R324 PolarHBondContact O-NH1 2.77Å; K316-R324 PolarHBondContact O-NH1 3.4Å; K316-R324 PolarHBondContact O-NH2 2.76Å; L318-R324 HydrophobicContact CD1-CG 3.89Å; L318-R324 HydrophobicContact CG-CG 4.37Å; R324-T350 WeakPolarHBondContact O-CG2 3.26Å; R324-T350 PolarHBondContact O-OG1 2.87Å
325I97.8Very high96.7Very high3 Ų356.2 Ų56.22%0.01527%0.27CS..  trans-132.5112.6-177.6-48.1175.3000110.3R308 E312 I377 R378R308-I325 VanDerWaalsContact CD-O 3.25Å; R308-I325 WeakPolarHBondContact CD-O 3.3Å; R308-I325 HydrophobicContact CG-CB 4.4Å; R308-I325 PolarHBondContact NH1-O 2.72Å; E312-I325 HydrophobicContact CB-CB 4.46Å; E312-I325 HydrophobicContact CB-CD1 4.28Å; E312-I325 HydrophobicContact CB-CG1 4.27Å; E312-I325 HydrophobicContact CG-CD1 4.04Å; E312-I325 HydrophobicContact CG-CG1 4.34Å; E312-I325 PolarHBondContact O-N 3.43Å; I325-I377 HydrophobicContact CD1-CD1 4.3Å; I325-I377 HydrophobicContact CD1-CG1 4.32Å; I325-I377 HydrophobicContact CG1-CD1 4.16Å; I325-I377 HydrophobicContact CG2-CD1 3.97Å; I325-R378 VanDerWaalsContact CG2-NH2 3.26Å
326F96.1Very high96.8Very high122 Ų12250.7 Ų50.754%0.53524%0.241SC..  trans-73.6-34.7-168.1-59.8-70.8000114.2R308 D348R308-F326 PolarHBondContact NH1-O 2.72Å; F326-D348 HydrophobicContact CD2-CB 4.35Å; F326-D348 HydrophobicContact CE2-CB 3.66Å; F326-D348 HydrophobicContact CZ-CB 4.1Å
327K97.8Very high96.9Very high21 Ų2145.5 Ų45.59%0.09122%0.219CC..SBendtrans-115.1156.1-178.1-62-168.6-162.6171.30112.5R308 D331 S332 I333 D334 R378 D468R308-K327 WeakPolarHBondContact CD-O 3.41Å; K327-D331 HydrophobicContact CB-CB 3.83Å; K327-D331 WeakPolarHBondContact CB-OD2 3.47Å; K327-D331 HydrophobicContact CD-CB 3.93Å; K327-D331 HydrophobicContact CG-CB 4.38Å; K327-S332 PolarHBondContact NZ-OG 2.72Å; K327-I333 PolarHBondContact NZ-O 2.75Å; K327-I333 VanDerWaalsContact NZ-O 3.16Å; K327-D334 VanDerWaalsContact CD-OD1 3.25Å; K327-D334 WeakPolarHBondContact CD-OD1 3.33Å; K327-D334 WeakPolarHBondContact CE-OD1 3.38Å; K327-D334 IonicContact NZ-OD1 2.86Å; K327-D334 PolarHBondContact NZ-OD1 2.86Å; K327-R378 PolarHBondContact O-NH1 2.99Å; K327-R378 PolarHBondContact O-NH2 3.43Å; K327-D468 WeakPolarHBondContact CE-OD2 3.38Å; K327-D468 IonicContact NZ-OD1 3.72Å; K327-D468 PolarHBondContact NZ-OD1 3.37Å; K327-D468 IonicContact NZ-OD2 3.23Å; K327-D468 PolarHBondContact NZ-OD2 3.31Å
328S98.5Very high96.8Very high3 Ų341.6 Ų41.62%0.02119%0.194CC..  trans-59.7160.2166.3175.70000109.2S302 D306 Y330 R378S302-S328 WeakPolarHBondContact O-CB 3.27Å; S302-S328 PolarHBondContact O-OG 3.12Å; D306-S328 WeakPolarHBondContact CA-OG 3.43Å; S328-Y330 WeakPolarHBondContact CB-O 3.4Å; S328-Y330 PolarHBondContact O-N 3.02Å; S328-Y330 PolarHBondContact OG-N 3.08Å; S328-R378 PolarHBondContact O-NH2 2.89Å
329R97.8Very high96.6Very high2 Ų240.4 Ų40.41%0.00819%0.191CC..SBendtrans-65.2-15.2169.564.5-170.7-55140.111.3112.8V305 D307 D379 L381 T405 N406 W407V305-R329 WeakPolarHBondContact O-CG 3.41Å; D307-R329 IonicContact OD2-CZ 2.78Å; D307-R329 IonicContact OD2-NH1 2.61Å; D307-R329 PolarHBondContact OD2-NH1 2.73Å; R329-D379 PolarHBondContact NH1-O 3.5Å; R329-D379 VanDerWaalsContact NH1-O 3.1Å; R329-L381 VanDerWaalsContact CZ-CD1 3.48Å; R329-L381 VanDerWaalsContact NH1-CG 3.27Å; R329-T405 VanDerWaalsContact CZ-O 3.3Å; R329-T405 PolarHBondContact NE-O 2.93Å; R329-T405 VanDerWaalsContact NH2-CB 3.33Å; R329-T405 PolarHBondContact NH2-O 2.95Å; R329-T405 PolarHBondContact NH2-OG1 2.77Å; R329-N406 CarbonylContact O-C 3.6Å; R329-N406 WeakPolarHBondContact O-CA 3.46Å; R329-W407 HydrophobicContact CG-CE3 4.17Å; R329-W407 HydrophobicContact CG-CZ3 4.02Å; R329-W407 PolarHBondContact O-N 2.84Å
330Y98.6Very high96.3Very high4 Ų432.7 Ų32.72%0.01616%0.158CC..EExtended strand (participates in β ladder)trans-109.1105.2166.6-169.5-53.6000108.6M246 W298 I301 S302 V305 S328 W407M246-Y330 HydrophobicContact CE-CD2 3.89Å; M246-Y330 HydrophobicContact CE-CE2 4.24Å; W298-Y330 HydrophobicContact CD2-CE1 4.01Å; W298-Y330 AromaticContact CE2-CE1 3.84Å; W298-Y330 AromaticContact CE3-CE1 3.9Å; W298-Y330 HydrophobicContact CE3-CE1 3.9Å; W298-Y330 HydrophobicContact CH2-CD1 4.31Å; W298-Y330 AromaticContact CH2-CE1 3.41Å; W298-Y330 HydrophobicContact CH2-CE1 3.41Å; W298-Y330 VanDerWaalsContact CH2-CE1 3.41Å; W298-Y330 AromaticContact CH2-CZ 3.94Å; W298-Y330 HydrophobicContact CZ2-CD1 4.06Å; W298-Y330 AromaticContact CZ2-CE1 3.53Å; W298-Y330 HydrophobicContact CZ2-CE1 3.53Å; W298-Y330 AromaticContact CZ3-CE1 3.61Å; W298-Y330 HydrophobicContact CZ3-CE1 3.61Å; W298-Y330 AromaticContact CZ3-CZ 3.92Å; W298-Y330 WeakPolarHBondContact CZ3-OH 3.42Å; I301-Y330 HydrophobicContact CB-CE1 4.41Å; I301-Y330 HydrophobicContact CB-CE2 4.45Å; I301-Y330 HydrophobicContact CD1-CD2 4.21Å; I301-Y330 HydrophobicContact CD1-CE2 3.41Å; I301-Y330 VanDerWaalsContact CD1-CE2 3.41Å; I301-Y330 HydrophobicContact CG1-CD2 3.86Å; I301-Y330 HydrophobicContact CG1-CE1 4.32Å; I301-Y330 HydrophobicContact CG1-CE2 3.53Å; I301-Y330 HydrophobicContact CG1-CG 4.43Å; I301-Y330 HydrophobicContact CG2-CD1 3.97Å; I301-Y330 HydrophobicContact CG2-CE1 3.38Å; I301-Y330 HydrophobicContact CG2-CE2 4.14Å; I301-Y330 VanDerWaalsContact CG2-CZ 3.5Å; S302-Y330 WeakPolarHBondContact CA-O 3.25Å; S302-Y330 WeakPolarHBondContact CB-O 3.39Å; S302-Y330 PolarHBondContact OG-O 2.91Å; V305-Y330 VanDerWaalsContact CG2-CB 3.42Å; V305-Y330 HydrophobicContact CG2-CD2 4.14Å; V305-Y330 HydrophobicContact CG2-CG 4.15Å; S328-Y330 WeakPolarHBondContact CB-O 3.4Å; S328-Y330 PolarHBondContact O-N 3.02Å; S328-Y330 PolarHBondContact OG-N 3.08Å; Y330-W407 CarbonylContact C-O 3.53Å; Y330-W407 WeakPolarHBondContact CA-O 3.45Å; Y330-W407 HydrophobicContact CD1-CB 4.47Å; Y330-W407 HydrophobicContact CD2-CB 3.14Å; Y330-W407 HydrophobicContact CD2-CD2 4.13Å; Y330-W407 HydrophobicContact CD2-CE3 4.3Å; Y330-W407 AromaticContact CD2-CG 3.69Å; Y330-W407 HydrophobicContact CD2-CG 3.69Å; Y330-W407 HydrophobicContact CE2-CB 3.56Å; Y330-W407 HydrophobicContact CE2-CG 4.08Å; Y330-W407 HydrophobicContact CG-CB 3.64Å
331D98.3Very high96.4Very high37 Ų3726.1 Ų26.120%0.19812%0.122CC..EExtended strand (participates in β ladder)trans-165-176.3179.7-143.6-34.7000112.5W298 K327 W407 Q408 T409W298-D331 WeakPolarHBondContact CZ2-O 3.3Å; K327-D331 HydrophobicContact CB-CB 3.83Å; K327-D331 WeakPolarHBondContact CB-OD2 3.47Å; K327-D331 HydrophobicContact CD-CB 3.93Å; K327-D331 HydrophobicContact CG-CB 4.38Å; D331-W407 PolarHBondContact N-O 2.79Å; D331-Q408 CarbonylContact O-C 3.57Å; D331-Q408 WeakPolarHBondContact O-CA 3.43Å; D331-T409 PolarHBondContact O-N 2.55Å
332S98.1Very high96.4Very high2 Ų228.2 Ų28.21%0.01413%0.131CC..SBendtrans-57.4160168.457.30000112.5K327 D468K327-S332 PolarHBondContact NZ-OG 2.72Å; S332-D468 WeakPolarHBondContact CB-OD1 3.29Å; S332-D468 PolarHBondContact OG-OD1 3Å
333I98.4Very high96.5Very high0 Ų029.1 Ų29.10%014%0.135CC..  trans-56.4152.4175.466.5158.1000112Y267 A271 K327 Y336 Q408 T409 M410 L464Y267-I333 HydrophobicContact CE1-CB 4.41Å; Y267-I333 HydrophobicContact CE1-CD1 3.79Å; Y267-I333 HydrophobicContact CE1-CG2 4.15Å; Y267-I333 HydrophobicContact CE2-CG2 4.26Å; Y267-I333 WeakPolarHBondContact OH-CB 3.45Å; Y267-I333 WeakPolarHBondContact OH-CG2 3.1Å; A271-I333 HydrophobicContact CB-CD1 3.3Å; A271-I333 HydrophobicContact CB-CG1 3.95Å; K327-I333 PolarHBondContact NZ-O 2.75Å; K327-I333 VanDerWaalsContact NZ-O 3.16Å; I333-Y336 HydrophobicContact CD1-CD1 4.04Å; I333-Y336 HydrophobicContact CD1-CE1 4.04Å; I333-Q408 HydrophobicContact CG2-CB 4.16Å; I333-T409 PolarHBondContact N-OG1 3.4Å; I333-M410 HydrophobicContact CG2-CB 3.76Å; I333-M410 HydrophobicContact CG2-CG 4.32Å; I333-L464 HydrophobicContact CD1-CD2 3.77Å; I333-L464 HydrophobicContact CG1-CD2 3.92Å
334D98.1Very high96.5Very high15 Ų1528.4 Ų28.48%0.0813%0.132CC..SBendtrans-108.1-12.9-178-64.3-77.3000113.5K327 L349 H374 Q408 L464K327-D334 VanDerWaalsContact CD-OD1 3.25Å; K327-D334 WeakPolarHBondContact CD-OD1 3.33Å; K327-D334 WeakPolarHBondContact CE-OD1 3.38Å; K327-D334 IonicContact NZ-OD1 2.86Å; K327-D334 PolarHBondContact NZ-OD1 2.86Å; D334-L349 HydrophobicContact CB-CD1 3.61Å; D334-H374 IonicContact OD2-CD2 3.52Å; D334-H374 IonicContact OD2-NE2 3.7Å; D334-H374 PolarHBondContact OD2-NE2 3.21Å; D334-Q408 PolarHBondContact OD2-NE2 2.59Å; D334-L464 WeakPolarHBondContact O-CD1 3.15Å
335S98.3Very high96.5Very high3 Ų326.6 Ų26.62%0.02113%0.129CC..  trans-156.5135.1-177.462.30000111.6Y267 H371Y267-S335 WeakPolarHBondContact CE1-O 3.47Å; S335-H371 PolarHBondContact OG-ND1 2.81Å
336Y98.6Very high96.5Very high0 Ų030.1 Ų30.10%015%0.148CC..  trans-70.3146.3159.2-68.5-53.8000111.4D268 A271 T272 I333 N345 L461 I462 L464 V467D268-Y336 HydrophobicContact CB-CD1 3.52Å; D268-Y336 HydrophobicContact CB-CE1 4.04Å; D268-Y336 HydrophobicContact CB-CG 4.31Å; D268-Y336 VanDerWaalsContact CG-CD1 3.47Å; D268-Y336 WeakPolarHBondContact O-CE1 3.4Å; D268-Y336 VanDerWaalsContact OD1-CA 3.27Å; D268-Y336 WeakPolarHBondContact OD1-CA 3.3Å; D268-Y336 WeakPolarHBondContact OD1-CD1 3.19Å; A271-Y336 HydrophobicContact CB-CE1 4.06Å; T272-Y336 WeakPolarHBondContact CG2-OH 3.45Å; I333-Y336 HydrophobicContact CD1-CD1 4.04Å; I333-Y336 HydrophobicContact CD1-CE1 4.04Å; Y336-N345 WeakPolarHBondContact CB-OD1 3Å; Y336-N345 WeakPolarHBondContact CD2-OD1 3.18Å; Y336-N345 PolarHBondContact N-OD1 3Å; Y336-N345 PolarHBondContact O-ND2 3.3Å; Y336-N345 VanDerWaalsContact O-ND2 3.15Å; Y336-L461 HydrophobicContact CD1-CD2 4.31Å; Y336-L461 HydrophobicContact CE1-CD2 3.86Å; Y336-I462 WeakPolarHBondContact CE2-O 3.47Å; Y336-I462 PolarHBondContact OH-O 2.74Å; Y336-I462 VanDerWaalsContact OH-O 3.13Å; Y336-L464 HydrophobicContact CD1-CD2 4.32Å; Y336-L464 HydrophobicContact CD2-CD1 4.24Å; Y336-L464 HydrophobicContact CD2-CD2 3.99Å; Y336-L464 HydrophobicContact CD2-CG 3.76Å; Y336-L464 HydrophobicContact CE1-CD2 3.94Å; Y336-L464 HydrophobicContact CE2-CD1 4.49Å; Y336-L464 HydrophobicContact CE2-CD2 3.55Å; Y336-L464 HydrophobicContact CE2-CG 3.55Å; Y336-L464 HydrophobicContact CG-CD2 4.37Å; Y336-L464 HydrophobicContact CG-CG 4.45Å; Y336-V467 WeakPolarHBondContact OH-CG2 3.34Å
337L98.2Very high96.5Very high0 Ų026.1 Ų26.10%013%0.132CC..  trans-107.9-25.2-171.2-52.3-175.4000112.8R264 Y267 D268 H371 F412R264-L337 HydrophobicContact CB-CB 4Å; R264-L337 HydrophobicContact CG-CB 3.95Å; R264-L337 PolarHBondContact NE-O 2.77Å; R264-L337 PolarHBondContact NH2-O 2.67Å; Y267-L337 HydrophobicContact CD1-CB 4.44Å; Y267-L337 HydrophobicContact CD1-CD1 3.63Å; Y267-L337 HydrophobicContact CD1-CG 3.63Å; Y267-L337 HydrophobicContact CD2-CD1 4.17Å; Y267-L337 HydrophobicContact CE1-CD1 3.82Å; Y267-L337 HydrophobicContact CE1-CD2 4.41Å; Y267-L337 HydrophobicContact CE1-CG 3.7Å; Y267-L337 HydrophobicContact CE2-CD1 4.32Å; Y267-L337 HydrophobicContact CG-CD1 3.8Å; Y267-L337 HydrophobicContact CG-CG 4.3Å; D268-L337 PolarHBondContact OD1-N 2.88Å; D268-L337 PolarHBondContact OD2-N 2.72Å; L337-H371 HydrophobicContact CD2-CB 3.41Å; L337-H371 VanDerWaalsContact CD2-CB 3.41Å; L337-F412 HydrophobicContact CD1-CB 3.72Å; L337-F412 HydrophobicContact CD1-CD1 4.33Å; L337-F412 HydrophobicContact CD1-CD2 4.11Å; L337-F412 HydrophobicContact CD1-CG 3.81Å
338S95.3Very high96.4Very high7 Ų731.3 Ų31.35%0.04916%0.16CC..SBendtrans-87.8156.2-179.1780000112D268 C340 G341 L367D268-S338 WeakPolarHBondContact OD2-CA 3.4Å; D268-S338 WeakPolarHBondContact OD2-CB 3.49Å; D268-S338 PolarHBondContact OD2-N 3.42Å; D268-S338 PolarHBondContact OD2-OG 3.22Å; S338-C340 PolarHBondContact O-N 3.42Å; S338-C340 VanDerWaalsContact O-N 3.16Å; S338-G341 PolarHBondContact O-N 3.25Å; S338-L367 WeakPolarHBondContact O-CD1 3.49Å
339C91.3Very high96.3Very high42 Ų4233.4 Ų33.428%0.28417%0.171SC..G310 helixtrans-57.1-32.9178.375.30000112.1G341 E342 C501C339-G341 VanDerWaalsContact C-N 3.25Å; C339-G341 PolarHBondContact O-N 2.74Å; C339-E342 PolarHBondContact O-N 2.92Å; C339-C501 HydrophobicContact CB-CB 4.12Å; C339-C501 WeakPolarHBondContact CB-SG 3.33Å; C339-C501 WeakPolarHBondContact SG-CB 3.46Å; C339-C501 CovalentContact SG-SG 2.06Å; C339-C501 PolarHBondContact SG-SG 3.16Å
340C89.8Confident96.3Very high7 Ų734.6 Ų34.65%0.04718%0.178CC..G310 helixtrans-65.6-26.8176.8-61.20000113.6S338 L461 C495S338-C340 PolarHBondContact O-N 3.42Å; S338-C340 VanDerWaalsContact O-N 3.16Å; C340-L461 HydrophobicContact CB-CD1 3.93Å; C340-C495 WeakPolarHBondContact CA-SG 3.12Å; C340-C495 HydrophobicContact CB-CB 3.5Å; C340-C495 WeakPolarHBondContact CB-SG 3.42Å; C340-C495 WeakPolarHBondContact SG-CB 3.47Å; C340-C495 CovalentContact SG-SG 2.04Å; C340-C495 PolarHBondContact SG-SG 3.49Å
341G92.8Very high96.3Very high0 Ų035.2 Ų35.20%018%0.182CC..G310 helixtrans-86.6-14.8-179.200000114.9S338 C339 K343 Y344 N345S338-G341 PolarHBondContact O-N 3.25Å; C339-G341 VanDerWaalsContact C-N 3.25Å; C339-G341 PolarHBondContact O-N 2.74Å; G341-K343 VanDerWaalsContact C-N 3.32Å; G341-K343 PolarHBondContact O-N 3.39Å; G341-Y344 WeakPolarHBondContact O-CA 3.47Å; G341-Y344 WeakPolarHBondContact O-CB 3.49Å; G341-Y344 PolarHBondContact O-N 3.37Å; G341-N345 PolarHBondContact O-N 3.1Å
342E94.8Very high96.3Very high81 Ų8134 Ų3438%0.37918%0.176SC..G310 helixtrans-54.8-45.8-172.5-178.7165.8-156.100112.7C339 Y344 N345 K366 L367C339-E342 PolarHBondContact O-N 2.92Å; E342-Y344 PolarHBondContact O-N 2.99Å; E342-Y344 VanDerWaalsContact O-N 3.12Å; E342-N345 WeakPolarHBondContact O-CB 3.23Å; E342-N345 PolarHBondContact O-N 3.15Å; E342-N345 VanDerWaalsContact O-N 3.16Å; E342-K366 IonicContact OE1-NZ 2.72Å; E342-K366 PolarHBondContact OE1-NZ 3.3Å; E342-L367 HydrophobicContact CB-CD1 4.1Å; E342-L367 HydrophobicContact CB-CD2 4.06Å; E342-L367 HydrophobicContact CG-CD2 3.97Å
343K94.1Very high96.3Very high147 Ų14739.9 Ų39.964%0.63920%0.203SC*.G310 helixtrans-66.3-13.6-179.869.6177.7-172.6168.60114.2G341G341-K343 VanDerWaalsContact C-N 3.32Å; G341-K343 PolarHBondContact O-N 3.39Å
344Y96.5Very high96.3Very high17 Ų1747 Ų477%0.06724%0.236CC..G310 helixtrans-102.5-1.6-179.7-61.8-60.4000113G341 E342 D346 L461 I462 P463 L464 R488G341-Y344 WeakPolarHBondContact O-CA 3.47Å; G341-Y344 WeakPolarHBondContact O-CB 3.49Å; G341-Y344 PolarHBondContact O-N 3.37Å; E342-Y344 PolarHBondContact O-N 2.99Å; E342-Y344 VanDerWaalsContact O-N 3.12Å; Y344-D346 VanDerWaalsContact C-N 3.25Å; Y344-D346 PolarHBondContact O-N 2.93Å; Y344-L461 HydrophobicContact CD2-CB 3.49Å; Y344-L461 VanDerWaalsContact CD2-CB 3.49Å; Y344-L461 HydrophobicContact CD2-CD1 4.29Å; Y344-L461 HydrophobicContact CE2-CB 3.42Å; Y344-L461 VanDerWaalsContact CE2-CB 3.42Å; Y344-L461 HydrophobicContact CE2-CD1 4.42Å; Y344-L461 HydrophobicContact CG-CB 4.41Å; Y344-I462 WeakPolarHBondContact CB-O 3.38Å; Y344-P463 HydrophobicContact CD1-CG 4.06Å; Y344-P463 WeakPolarHBondContact O-CA 3.12Å; Y344-L464 PolarHBondContact O-N 3.37Å; Y344-R488 PolarHBondContact OH-NH1 3.11Å
345N97.7Very high96.3Very high46 Ų4647 Ų4725%0.24624%0.236CC..  trans-77.276.2169.8-72.9-24.3000110.1Y336 G341 E342 L464Y336-N345 WeakPolarHBondContact CB-OD1 3Å; Y336-N345 WeakPolarHBondContact CD2-OD1 3.18Å; Y336-N345 PolarHBondContact N-OD1 3Å; Y336-N345 PolarHBondContact O-ND2 3.3Å; Y336-N345 VanDerWaalsContact O-ND2 3.15Å; G341-N345 PolarHBondContact O-N 3.1Å; E342-N345 WeakPolarHBondContact O-CB 3.23Å; E342-N345 PolarHBondContact O-N 3.15Å; E342-N345 VanDerWaalsContact O-N 3.16Å; N345-L464 WeakPolarHBondContact OD1-CD1 3.5Å
346D97.4Very high96.3Very high76 Ų7647.6 Ų47.641%0.40624%0.239SC..  trans-103.511.4-172.373.3-37.5000114.4Y344 P463 L464 S465Y344-D346 VanDerWaalsContact C-N 3.25Å; Y344-D346 PolarHBondContact O-N 2.93Å; D346-P463 HydrophobicContact CB-CB 4.4Å; D346-P463 VanDerWaalsContact CG-CB 3.49Å; D346-P463 VanDerWaalsContact OD2-CB 3.23Å; D346-P463 WeakPolarHBondContact OD2-CB 3.49Å; D346-L464 PolarHBondContact OD1-N 3.45Å; D346-S465 PolarHBondContact OD1-N 3.27Å; D346-S465 WeakPolarHBondContact OD2-CB 3.45Å; D346-S465 PolarHBondContact OD2-OG 2.71Å
347I96.9Very high96.3Very high39 Ų3955.3 Ų55.320%0.227%0.272CS..SBendtrans-108.4153.117763.8172.3000111.3L349 L464I347-L349 PolarHBondContact O-N 3.28Å; I347-L349 VanDerWaalsContact O-N 3.07Å; I347-L464 HydrophobicContact CD1-CB 4.25Å; I347-L464 HydrophobicContact CD1-CD1 4.25Å; I347-L464 HydrophobicContact CG1-CB 4.26Å; I347-L464 HydrophobicContact CG1-CD1 4.28Å; I347-L464 HydrophobicContact CG2-CB 4.3Å
348D95.4Very high96.4Very high130 Ų13059.1 Ų59.170%0.69529%0.29SS*.  trans-66.5107.4177.3-72.9-18.9000111F326F326-D348 HydrophobicContact CD2-CB 4.35Å; F326-D348 HydrophobicContact CE2-CB 3.66Å; F326-D348 HydrophobicContact CZ-CB 4.1Å
349L97Very high96.5Very high47 Ų4758.8 Ų58.825%0.24629%0.288CS..  trans-93106.9177.2-169.970.2000110.6D334 I347 I351 Q370 H374D334-L349 HydrophobicContact CB-CD1 3.61Å; I347-L349 PolarHBondContact O-N 3.28Å; I347-L349 VanDerWaalsContact O-N 3.07Å; L349-I351 HydrophobicContact CD2-CG2 3.84Å; L349-I351 HydrophobicContact CG-CG2 3.82Å; L349-I351 PolarHBondContact O-N 3.39Å; L349-Q370 HydrophobicContact CD2-CB 4.01Å; L349-H374 HydrophobicContact CD1-CB 3.88Å; L349-H374 VanDerWaalsContact CD1-CG 3.5Å; L349-H374 HydrophobicContact CD2-CB 4.43Å; L349-H374 HydrophobicContact CG-CB 4.2Å
350T97.9Very high96.9Very high26 Ų2660.4 Ų60.416%0.1629%0.293CS..  trans-74.7122.5172.6-570000110Y323 R324 H374 I377Y323-T350 HydrophobicContact CD1-CG2 3.85Å; Y323-T350 HydrophobicContact CG-CG2 4.06Å; R324-T350 WeakPolarHBondContact O-CG2 3.26Å; R324-T350 PolarHBondContact O-OG1 2.87Å; T350-H374 PolarHBondContact O-ND1 3.22Å; T350-I377 HydrophobicContact CG2-CD1 4.11Å; T350-I377 HydrophobicContact CG2-CG2 4.44Å
351I98.3Very high97.3Very high18 Ų1863.6 Ų63.69%0.09233%0.327CS..  trans-127.2154.7-178.962.2177.1000111.5L349 E353 N356 Q370 A373 H374L349-I351 HydrophobicContact CD2-CG2 3.84Å; L349-I351 HydrophobicContact CG-CG2 3.82Å; L349-I351 PolarHBondContact O-N 3.39Å; I351-E353 PolarHBondContact O-N 3.46Å; I351-N356 HydrophobicContact CD1-CB 4.13Å; I351-Q370 HydrophobicContact CD1-CG 4.34Å; I351-A373 HydrophobicContact CB-CB 4.08Å; I351-A373 HydrophobicContact CG2-CB 4.47Å; I351-H374 HydrophobicContact CG2-CB 4.15Å
352D98.3Very high97.5Very high12 Ų1265.5 Ų65.56%0.06434%0.343CS..  trans-79.6107.4163.1-168.9-55000109.7K322 Y323 E354 I355 N356 A373K322-D352 IonicContact NZ-OD1 2.86Å; K322-D352 IonicContact NZ-OD2 2.71Å; K322-D352 PolarHBondContact NZ-OD2 3.16Å; Y323-D352 WeakPolarHBondContact OH-CA 3.4Å; Y323-D352 VanDerWaalsContact OH-CB 3.25Å; Y323-D352 WeakPolarHBondContact OH-CB 3.42Å; Y323-D352 PolarHBondContact OH-OD2 2.99Å; D352-E354 VanDerWaalsContact C-N 3.28Å; D352-E354 PolarHBondContact O-N 3.49Å; D352-E354 PolarHBondContact OD1-N 3.19Å; D352-I355 HydrophobicContact CB-CB 4.06Å; D352-I355 HydrophobicContact CB-CD1 3.98Å; D352-I355 HydrophobicContact CB-CG1 4.14Å; D352-I355 PolarHBondContact O-N 3.26Å; D352-I355 PolarHBondContact OD1-N 3.48Å; D352-N356 WeakPolarHBondContact O-CB 3.5Å; D352-N356 PolarHBondContact O-N 2.85Å; D352-A373 PolarHBondContact N-O 3.02Å
353E98.1Very high97.6Very high124 Ų12464.5 Ų64.558%0.57936%0.355SS*.Hα-helixtrans-63.5-30.2-175.3-67-65.9178.200113.9I351 K357I351-E353 PolarHBondContact O-N 3.46Å; E353-K357 VanDerWaalsContact O-CB 3.29Å; E353-K357 WeakPolarHBondContact O-CB 3.5Å; E353-K357 PolarHBondContact O-N 3.1Å
354E97.9Very high97.8Very high151 Ų15157.7 Ų57.771%0.70633%0.325SS*.Hα-helixtrans-72-44.4178.6-65-176.2166.100110.3D352 K357 Q358D352-E354 VanDerWaalsContact C-N 3.28Å; D352-E354 PolarHBondContact O-N 3.49Å; D352-E354 PolarHBondContact OD1-N 3.19Å; E354-K357 PolarHBondContact O-N 3.4Å; E354-Q358 WeakPolarHBondContact O-CB 3.33Å; E354-Q358 PolarHBondContact O-N 3.48Å
355I98.5Very high97.9Very high14 Ų1459.5 Ų59.57%0.07234%0.336CS..Hα-helixtrans-62.8-46.6174.1-67178.4000110.3I27 D352 K357 Q358 L359 A373 F376I27-I355 HydrophobicContact CD1-CG2 3.48Å; I27-I355 VanDerWaalsContact CD1-CG2 3.48Å; I27-I355 HydrophobicContact CG1-CD1 4.19Å; I27-I355 HydrophobicContact CG1-CG1 4.31Å; I27-I355 HydrophobicContact CG1-CG2 3.79Å; D352-I355 HydrophobicContact CB-CB 4.06Å; D352-I355 HydrophobicContact CB-CD1 3.98Å; D352-I355 HydrophobicContact CB-CG1 4.14Å; D352-I355 PolarHBondContact O-N 3.26Å; D352-I355 PolarHBondContact OD1-N 3.48Å; I355-K357 VanDerWaalsContact C-N 3.33Å; I355-K357 PolarHBondContact O-N 2.93Å; I355-Q358 WeakPolarHBondContact O-CB 3.23Å; I355-Q358 PolarHBondContact O-N 3.41Å; I355-Q358 VanDerWaalsContact O-N 3.13Å; I355-L359 HydrophobicContact CG2-CD1 3.69Å; I355-L359 HydrophobicContact CG2-CG 4.21Å; I355-L359 VanDerWaalsContact O-CG 3.27Å; I355-L359 WeakPolarHBondContact O-CG 3.49Å; I355-L359 PolarHBondContact O-N 3.09Å; I355-A373 HydrophobicContact CB-CB 4.41Å; I355-A373 HydrophobicContact CG2-CB 4.05Å; I355-F376 HydrophobicContact CD1-CB 3.58Å; I355-F376 HydrophobicContact CD1-CD1 4.05Å; I355-F376 HydrophobicContact CD1-CG 4.21Å
356N98.6Very high97.9Very high15 Ų1562.3 Ų62.38%0.0835%0.346CS..Hα-helixtrans-56.6-47.5177.7-177.549.7000111.3I351 D352 Q358 L359 L360 A373I351-N356 HydrophobicContact CD1-CB 4.13Å; D352-N356 WeakPolarHBondContact O-CB 3.5Å; D352-N356 PolarHBondContact O-N 2.85Å; N356-Q358 VanDerWaalsContact C-N 3.34Å; N356-Q358 PolarHBondContact O-N 3.42Å; N356-L359 PolarHBondContact O-N 3.42Å; N356-L360 WeakPolarHBondContact O-CB 3.26Å; N356-L360 VanDerWaalsContact O-CG 3.29Å; N356-L360 WeakPolarHBondContact O-CG 3.48Å; N356-L360 PolarHBondContact O-N 2.98Å; N356-A373 HydrophobicContact CB-CB 3.78Å
357K98.6Very high97.9Very high163 Ų16359.1 Ų59.171%0.70933%0.329SS*.Hα-helixtrans-61.8-39.9176.3-175.3179.1178.8-177.90112.6E353 E354 I355 G361E353-K357 VanDerWaalsContact O-CB 3.29Å; E353-K357 WeakPolarHBondContact O-CB 3.5Å; E353-K357 PolarHBondContact O-N 3.1Å; E354-K357 PolarHBondContact O-N 3.4Å; I355-K357 VanDerWaalsContact C-N 3.33Å; I355-K357 PolarHBondContact O-N 2.93Å; K357-G361 PolarHBondContact O-N 2.98Å
358Q98.4Very high98Very high80 Ų8057.3 Ų57.337%0.37432%0.319SS..Hα-helixtrans-62.7-46.4176.3-178.8-177.8-7.400111.6E354 I355 N356 G361 A362E354-Q358 WeakPolarHBondContact O-CB 3.33Å; E354-Q358 PolarHBondContact O-N 3.48Å; I355-Q358 WeakPolarHBondContact O-CB 3.23Å; I355-Q358 PolarHBondContact O-N 3.41Å; I355-Q358 VanDerWaalsContact O-N 3.13Å; N356-Q358 VanDerWaalsContact C-N 3.34Å; N356-Q358 PolarHBondContact O-N 3.42Å; Q358-G361 PolarHBondContact O-N 3.21Å; Q358-A362 WeakPolarHBondContact O-CB 3.36Å; Q358-A362 PolarHBondContact O-N 3.38Å
359L98.7Very high98.1Very high0 Ų051.1 Ų51.10%029%0.286CS..Hα-helixtrans-63.4-46.2179.6-66.1166.5000111.4I27 F30 L31 I355 N356 G361 A362 G363 I364 A369 I372 A373I27-L359 HydrophobicContact CD1-CD2 4.48Å; I27-L359 HydrophobicContact CG2-CD2 4Å; F30-L359 HydrophobicContact CD1-CD2 3.82Å; F30-L359 HydrophobicContact CE1-CD2 3.94Å; L31-L359 HydrophobicContact CD2-CD2 4.02Å; L31-L359 HydrophobicContact CG-CD2 4.35Å; I355-L359 HydrophobicContact CG2-CD1 3.69Å; I355-L359 HydrophobicContact CG2-CG 4.21Å; I355-L359 VanDerWaalsContact O-CG 3.27Å; I355-L359 WeakPolarHBondContact O-CG 3.49Å; I355-L359 PolarHBondContact O-N 3.09Å; N356-L359 PolarHBondContact O-N 3.42Å; L359-G361 PolarHBondContact O-N 3.28Å; L359-A362 PolarHBondContact O-N 3.25Å; L359-A362 VanDerWaalsContact O-N 3.16Å; L359-G363 PolarHBondContact O-N 3.27Å; L359-I364 HydrophobicContact CB-CB 4.38Å; L359-I364 HydrophobicContact CD2-CD1 3.9Å; L359-I364 WeakPolarHBondContact O-CB 3.2Å; L359-I364 PolarHBondContact O-N 2.95Å; L359-I364 VanDerWaalsContact O-N 3.09Å; L359-A369 HydrophobicContact CB-CB 3.77Å; L359-A369 HydrophobicContact CD1-CB 4.38Å; L359-A369 WeakPolarHBondContact CD1-O 3.29Å; L359-I372 HydrophobicContact CD1-CB 3.84Å; L359-I372 HydrophobicContact CD1-CG2 3.85Å; L359-I372 HydrophobicContact CD2-CG2 4.47Å; L359-A373 HydrophobicContact CD1-CB 4.49Å
360L98.6Very high98.2Very high75 Ų7551.1 Ų51.139%0.39329%0.285SS..Hα-helixtrans-59.6-45.6174.5-70.7173000111.8N356 A362 G363 K366 A369N356-L360 WeakPolarHBondContact O-CB 3.26Å; N356-L360 VanDerWaalsContact O-CG 3.29Å; N356-L360 WeakPolarHBondContact O-CG 3.48Å; N356-L360 PolarHBondContact O-N 2.98Å; L360-A362 PolarHBondContact O-N 3.46Å; L360-G363 PolarHBondContact O-N 3.2Å; L360-K366 HydrophobicContact CD2-CB 4.47Å; L360-A369 HydrophobicContact CD2-CB 3.97Å; L360-A369 HydrophobicContact CG-CB 4.07Å
361G98.3Very high98.3Very high74 Ų7450 Ų5076%0.76328%0.278SS*.Hα-helixtrans-63.2-25.4177.200000113.7K357 Q358 L359 G363K357-G361 PolarHBondContact O-N 2.98Å; Q358-G361 PolarHBondContact O-N 3.21Å; L359-G361 PolarHBondContact O-N 3.28Å; G361-G363 VanDerWaalsContact C-N 3.29Å
362A97.8Very high98.3Very high41 Ų4149.2 Ų49.234%0.33927%0.274SS..THydrogen-bonded Turntrans-85.42.8174.100000113.7L31 Q358 L359 L360L31-A362 HydrophobicContact CD1-CB 4.13Å; L31-A362 HydrophobicContact CD2-CB 3.54Å; L31-A362 HydrophobicContact CG-CB 4.49Å; Q358-A362 WeakPolarHBondContact O-CB 3.36Å; Q358-A362 PolarHBondContact O-N 3.38Å; L359-A362 PolarHBondContact O-N 3.25Å; L359-A362 VanDerWaalsContact O-N 3.16Å; L360-A362 PolarHBondContact O-N 3.46Å
363G97.2Very high98.3Very high60 Ų6048.6 Ų48.662%0.61927%0.271SS*.THydrogen-bonded Turntrans86.915.7176.500000115L359 L360 G361L359-G363 PolarHBondContact O-N 3.27Å; L360-G363 PolarHBondContact O-N 3.2Å; G361-G363 VanDerWaalsContact C-N 3.29Å
364I98Very high98.3Very high4 Ų443 Ų432%0.02125%0.245CC..  trans-79.1136.3169.4-59.7-167.4000108.7F30 L31 Y34 L359 L368 A369F30-I364 HydrophobicContact CD1-CD1 4.08Å; F30-I364 HydrophobicContact CE1-CD1 3.32Å; F30-I364 HydrophobicContact CZ-CD1 4.05Å; L31-I364 HydrophobicContact CD2-CD1 3.59Å; L31-I364 HydrophobicContact CD2-CG1 4.19Å; Y34-I364 HydrophobicContact CD1-CD1 4.06Å; Y34-I364 HydrophobicContact CD1-CG1 3.98Å; Y34-I364 HydrophobicContact CD2-CD1 4.46Å; Y34-I364 HydrophobicContact CE1-CD1 4.39Å; Y34-I364 HydrophobicContact CE1-CG1 3.86Å; Y34-I364 HydrophobicContact CG-CD1 4.11Å; Y34-I364 HydrophobicContact CG-CG1 4.46Å; L359-I364 HydrophobicContact CB-CB 4.38Å; L359-I364 HydrophobicContact CD2-CD1 3.9Å; L359-I364 WeakPolarHBondContact O-CB 3.2Å; L359-I364 PolarHBondContact O-N 2.95Å; L359-I364 VanDerWaalsContact O-N 3.09Å; I364-L368 HydrophobicContact CG2-CB 3.85Å; I364-L368 HydrophobicContact CG2-CD2 4.01Å; I364-L368 HydrophobicContact CG2-CG 3.87Å; I364-A369 HydrophobicContact CG2-CB 4.12Å
365D97.6Very high98.3Very high55 Ų5535.9 Ų35.929%0.29421%0.212SC..  trans-68.4160.6179.574.689.2000112.5R264 L367 L368 A369R264-D365 IonicContact CZ-OD1 2.74Å; R264-D365 IonicContact CZ-OD2 3.38Å; R264-D365 VanDerWaalsContact CZ-OD2 3.28Å; R264-D365 IonicContact NH1-OD1 2.81Å; R264-D365 IonicContact NH1-OD2 3.79Å; R264-D365 PolarHBondContact NH1-OD2 3.38Å; R264-D365 IonicContact NH2-OD1 2.88Å; R264-D365 PolarHBondContact NH2-OD1 3.18Å; R264-D365 IonicContact NH2-OD2 2.77Å; R264-D365 PolarHBondContact NH2-OD2 3.49Å; R264-D365 VanDerWaalsContact NH2-OD2 3.09Å; D365-L367 PolarHBondContact O-N 3.42Å; D365-L367 PolarHBondContact OD1-N 2.98Å; D365-L367 VanDerWaalsContact OD1-N 3.15Å; D365-L368 PolarHBondContact O-N 3.18Å; D365-L368 PolarHBondContact OD1-N 3.23Å; D365-A369 VanDerWaalsContact O-CB 3.25Å; D365-A369 WeakPolarHBondContact O-CB 3.46Å; D365-A369 PolarHBondContact O-N 2.86Å
366K97.8Very high98.3Very high105 Ų10535.2 Ų35.246%0.45721%0.208SC..Hα-helixtrans-51.6-48.2-173.2178.6-172.5166.8-160.20113.9E342 L360 A369 Q370E342-K366 IonicContact OE1-NZ 2.72Å; E342-K366 PolarHBondContact OE1-NZ 3.3Å; L360-K366 HydrophobicContact CD2-CB 4.47Å; K366-A369 PolarHBondContact O-N 3.37Å; K366-Q370 HydrophobicContact CG-CG 4.47Å; K366-Q370 WeakPolarHBondContact O-CB 3.34Å; K366-Q370 VanDerWaalsContact O-CG 3.23Å; K366-Q370 WeakPolarHBondContact O-CG 3.32Å; K366-Q370 PolarHBondContact O-N 2.94Å
367L98.3Very high98.3Very high9 Ų934.7 Ų34.75%0.04721%0.205CC..Hα-helixtrans-69.9-44.4-172.1-63.2175.7000111.1S338 E342 D365 H371S338-L367 WeakPolarHBondContact O-CD1 3.49Å; E342-L367 HydrophobicContact CB-CD1 4.1Å; E342-L367 HydrophobicContact CB-CD2 4.06Å; E342-L367 HydrophobicContact CG-CD2 3.97Å; D365-L367 PolarHBondContact O-N 3.42Å; D365-L367 PolarHBondContact OD1-N 2.98Å; D365-L367 VanDerWaalsContact OD1-N 3.15Å; L367-H371 WeakPolarHBondContact O-CB 3.36Å; L367-H371 PolarHBondContact O-N 3.04Å
368L98.5Very high98.3Very high0 Ų027 Ų270%017%0.172CC..Hα-helixtrans-68.9-38.5177.3-176.657.9000111.4F30 Y34 I260 I364 D365 H371 I372 F412F30-L368 HydrophobicContact CZ-CD2 4.35Å; F30-L368 HydrophobicContact CZ-CG 4.4Å; Y34-L368 HydrophobicContact CD2-CD2 4.26Å; Y34-L368 HydrophobicContact CE2-CD2 3.84Å; I260-L368 HydrophobicContact CD1-CD2 3.93Å; I364-L368 HydrophobicContact CG2-CB 3.85Å; I364-L368 HydrophobicContact CG2-CD2 4.01Å; I364-L368 HydrophobicContact CG2-CG 3.87Å; D365-L368 PolarHBondContact O-N 3.18Å; D365-L368 PolarHBondContact OD1-N 3.23Å; L368-H371 PolarHBondContact O-N 3.34Å; L368-I372 HydrophobicContact CD1-CG1 4.2Å; L368-I372 WeakPolarHBondContact O-CG1 3.23Å; L368-I372 PolarHBondContact O-N 2.97Å; L368-F412 HydrophobicContact CD1-CD1 4.29Å; L368-F412 HydrophobicContact CD1-CE1 3.8Å; L368-F412 HydrophobicContact CD1-CZ 4.44Å
369A98.7Very high98.2Very high0 Ų024.3 Ų24.30%016%0.16CC..Hα-helixtrans-61-46.6175.600000111.8L359 L360 I364 D365 K366 I372 A373L359-A369 HydrophobicContact CB-CB 3.77Å; L359-A369 HydrophobicContact CD1-CB 4.38Å; L359-A369 WeakPolarHBondContact CD1-O 3.29Å; L360-A369 HydrophobicContact CD2-CB 3.97Å; L360-A369 HydrophobicContact CG-CB 4.07Å; I364-A369 HydrophobicContact CG2-CB 4.12Å; D365-A369 VanDerWaalsContact O-CB 3.25Å; D365-A369 WeakPolarHBondContact O-CB 3.46Å; D365-A369 PolarHBondContact O-N 2.86Å; K366-A369 PolarHBondContact O-N 3.37Å; A369-I372 PolarHBondContact O-N 3.22Å; A369-A373 VanDerWaalsContact O-CB 3.24Å; A369-A373 WeakPolarHBondContact O-CB 3.23Å; A369-A373 PolarHBondContact O-N 3.13Å
370Q98.6Very high98.2Very high48 Ų4824.3 Ų24.322%0.22416%0.16CC..Hα-helixtrans-63-42.5177.1-75.7178.3-35.300112.2L349 I351 K366 A373 H374L349-Q370 HydrophobicContact CD2-CB 4.01Å; I351-Q370 HydrophobicContact CD1-CG 4.34Å; K366-Q370 HydrophobicContact CG-CG 4.47Å; K366-Q370 WeakPolarHBondContact O-CB 3.34Å; K366-Q370 VanDerWaalsContact O-CG 3.23Å; K366-Q370 WeakPolarHBondContact O-CG 3.32Å; K366-Q370 PolarHBondContact O-N 2.94Å; Q370-A373 PolarHBondContact O-N 2.93Å; Q370-H374 WeakPolarHBondContact O-CB 3.38Å; Q370-H374 PolarHBondContact O-N 3.33Å
371H98.6Very high98Very high2 Ų220.7 Ų20.71%0.00914%0.141CC..Hα-helixtrans-58.6-51.5176.317668.9000112S335 L337 L367 L368 A373 H374 L375S335-H371 PolarHBondContact OG-ND1 2.81Å; L337-H371 HydrophobicContact CD2-CB 3.41Å; L337-H371 VanDerWaalsContact CD2-CB 3.41Å; L367-H371 WeakPolarHBondContact O-CB 3.36Å; L367-H371 PolarHBondContact O-N 3.04Å; L368-H371 PolarHBondContact O-N 3.34Å; H371-A373 PolarHBondContact O-N 2.94Å; H371-H374 WeakPolarHBondContact O-CB 3.3Å; H371-H374 PolarHBondContact O-N 3.26Å; H371-L375 WeakPolarHBondContact O-CG 3.32Å; H371-L375 PolarHBondContact O-N 3.18Å; H371-L375 VanDerWaalsContact O-N 3.08Å
372I98.7Very high97.7Very high1 Ų117.7 Ų17.71%0.00511%0.108CC..Hα-helixtrans-65.9-41.3-179.9-60.5-63.1000110.9I27 F30 L359 L368 A369 H374 L375 F376 F399I27-I372 HydrophobicContact CD1-CG2 3.65Å; F30-I372 HydrophobicContact CD1-CG1 4.38Å; F30-I372 HydrophobicContact CD1-CG2 4.15Å; F30-I372 HydrophobicContact CD2-CD1 4.49Å; F30-I372 HydrophobicContact CE1-CB 4.42Å; F30-I372 HydrophobicContact CE1-CD1 4.34Å; F30-I372 HydrophobicContact CE1-CG1 3.73Å; F30-I372 HydrophobicContact CE1-CG2 4.27Å; F30-I372 HydrophobicContact CE2-CD1 4.06Å; F30-I372 HydrophobicContact CE2-CG1 4.29Å; F30-I372 HydrophobicContact CZ-CD1 3.98Å; F30-I372 HydrophobicContact CZ-CG1 3.71Å; L359-I372 HydrophobicContact CD1-CB 3.84Å; L359-I372 HydrophobicContact CD1-CG2 3.85Å; L359-I372 HydrophobicContact CD2-CG2 4.47Å; L368-I372 HydrophobicContact CD1-CG1 4.2Å; L368-I372 WeakPolarHBondContact O-CG1 3.23Å; L368-I372 PolarHBondContact O-N 2.97Å; A369-I372 PolarHBondContact O-N 3.22Å; I372-H374 VanDerWaalsContact C-N 3.26Å; I372-H374 PolarHBondContact O-N 3.16Å; I372-L375 HydrophobicContact CD1-CD1 4.35Å; I372-L375 PolarHBondContact O-N 3.2Å; I372-F376 HydrophobicContact CG2-CD2 4.14Å; I372-F376 HydrophobicContact CG2-CE2 4.17Å; I372-F376 VanDerWaalsContact O-CD2 3.26Å; I372-F376 WeakPolarHBondContact O-CD2 3.29Å; I372-F376 PolarHBondContact O-N 2.99Å; I372-F376 VanDerWaalsContact O-N 3.16Å; I372-F399 HydrophobicContact CD1-CE2 4.16Å; I372-F399 HydrophobicContact CD1-CZ 4.29Å
373A98.7Very high97.6Very high0 Ų015.9 Ų15.90%09%0.093CC..Hα-helixtrans-62.6-32.3175.500000112.9I351 D352 I355 N356 L359 A369 Q370 H371 I377I351-A373 HydrophobicContact CB-CB 4.08Å; I351-A373 HydrophobicContact CG2-CB 4.47Å; D352-A373 PolarHBondContact N-O 3.02Å; I355-A373 HydrophobicContact CB-CB 4.41Å; I355-A373 HydrophobicContact CG2-CB 4.05Å; N356-A373 HydrophobicContact CB-CB 3.78Å; L359-A373 HydrophobicContact CD1-CB 4.49Å; A369-A373 VanDerWaalsContact O-CB 3.24Å; A369-A373 WeakPolarHBondContact O-CB 3.23Å; A369-A373 PolarHBondContact O-N 3.13Å; Q370-A373 PolarHBondContact O-N 2.93Å; H371-A373 PolarHBondContact O-N 2.94Å; A373-I377 WeakPolarHBondContact O-CG2 3.23Å
374H98.6Very high97.4Very high7 Ų713.8 Ų13.83%0.0327%0.067CC..Hα-helixtrans-66.8-48.3172.6177.767.8000111.8D334 L349 T350 I351 Q370 H371 I372 F376 I377D334-H374 IonicContact OD2-CD2 3.52Å; D334-H374 IonicContact OD2-NE2 3.7Å; D334-H374 PolarHBondContact OD2-NE2 3.21Å; L349-H374 HydrophobicContact CD1-CB 3.88Å; L349-H374 VanDerWaalsContact CD1-CG 3.5Å; L349-H374 HydrophobicContact CD2-CB 4.43Å; L349-H374 HydrophobicContact CG-CB 4.2Å; T350-H374 PolarHBondContact O-ND1 3.22Å; I351-H374 HydrophobicContact CG2-CB 4.15Å; Q370-H374 WeakPolarHBondContact O-CB 3.38Å; Q370-H374 PolarHBondContact O-N 3.33Å; H371-H374 WeakPolarHBondContact O-CB 3.3Å; H371-H374 PolarHBondContact O-N 3.26Å; I372-H374 VanDerWaalsContact C-N 3.26Å; I372-H374 PolarHBondContact O-N 3.16Å; H374-F376 PolarHBondContact O-N 2.91Å; H374-F376 VanDerWaalsContact O-N 3.15Å; H374-I377 WeakPolarHBondContact O-CG1 3.31Å; H374-I377 WeakPolarHBondContact O-CG2 3.32Å; H374-I377 PolarHBondContact O-N 3.44Å; H374-I377 VanDerWaalsContact O-N 3.1Å
375L98.3Very high97.3Very high1 Ų119.5 Ų19.51%0.0059%0.093CC..Hα-helixtrans-58-32.7178.6-62.8177.8000112.2H371 I372 I377 Q403 N406H371-L375 WeakPolarHBondContact O-CG 3.32Å; H371-L375 PolarHBondContact O-N 3.18Å; H371-L375 VanDerWaalsContact O-N 3.08Å; I372-L375 HydrophobicContact CD1-CD1 4.35Å; I372-L375 PolarHBondContact O-N 3.2Å; L375-I377 VanDerWaalsContact C-N 3.35Å; L375-Q403 VanDerWaalsContact CD1-OE1 3.27Å; L375-N406 HydrophobicContact CD2-CB 3.62Å; L375-N406 PolarHBondContact O-ND2 3.29Å
376F98.3Very high97.1Very high0 Ų021.9 Ų21.90%010%0.103CC..THydrogen-bonded Turntrans-85.83.6-177.7-81.3-117.9000114.3R23 I27 I355 I372 H374 R378 F399 L402R23-F376 HydrophobicContact CB-CD1 4.16Å; R23-F376 WeakPolarHBondContact CD-O 3.15Å; R23-F376 HydrophobicContact CG-CD1 4.04Å; R23-F376 WeakPolarHBondContact O-CE1 3.4Å; I27-F376 HydrophobicContact CD1-CD1 3.59Å; I27-F376 HydrophobicContact CD1-CD2 4.05Å; I27-F376 HydrophobicContact CD1-CE1 3.6Å; I27-F376 HydrophobicContact CD1-CE2 4.05Å; I27-F376 HydrophobicContact CD1-CG 3.84Å; I27-F376 HydrophobicContact CD1-CZ 3.84Å; I27-F376 HydrophobicContact CG1-CD1 3.7Å; I27-F376 HydrophobicContact CG1-CE1 3.68Å; I27-F376 HydrophobicContact CG1-CG 4.4Å; I27-F376 HydrophobicContact CG1-CZ 4.35Å; I355-F376 HydrophobicContact CD1-CB 3.58Å; I355-F376 HydrophobicContact CD1-CD1 4.05Å; I355-F376 HydrophobicContact CD1-CG 4.21Å; I372-F376 HydrophobicContact CG2-CD2 4.14Å; I372-F376 HydrophobicContact CG2-CE2 4.17Å; I372-F376 VanDerWaalsContact O-CD2 3.26Å; I372-F376 WeakPolarHBondContact O-CD2 3.29Å; I372-F376 PolarHBondContact O-N 2.99Å; I372-F376 VanDerWaalsContact O-N 3.16Å; H374-F376 PolarHBondContact O-N 2.91Å; H374-F376 VanDerWaalsContact O-N 3.15Å; F376-R378 PolarHBondContact O-N 3.38Å; F376-F399 AromaticContact CE2-CD2 3.92Å; F376-F399 HydrophobicContact CE2-CD2 3.92Å; F376-F399 HydrophobicContact CE2-CE2 4.01Å; F376-F399 AromaticContact CZ-CD2 3.77Å; F376-F399 HydrophobicContact CZ-CD2 3.77Å; F376-F399 HydrophobicContact CZ-CE2 4.33Å; F376-L402 HydrophobicContact CB-CD1 4.28Å; F376-L402 HydrophobicContact CD1-CD1 3.62Å; F376-L402 HydrophobicContact CD2-CB 4.46Å; F376-L402 HydrophobicContact CD2-CD1 4.16Å; F376-L402 HydrophobicContact CE1-CD1 3.87Å; F376-L402 HydrophobicContact CE2-CB 4.21Å; F376-L402 HydrophobicContact CE2-CD1 4.39Å; F376-L402 HydrophobicContact CG-CD1 3.77Å; F376-L402 HydrophobicContact CZ-CB 4.36Å; F376-L402 HydrophobicContact CZ-CD1 4.24Å
377I98.1Very high96.9Very high3 Ų319.5 Ų19.52%0.0159%0.093CC..THydrogen-bonded Turntrans-69.6-17165.977.9-172.1000111.9Y323 I325 T350 A373 H374 L375Y323-I377 HydrophobicContact CD2-CB 3.77Å; Y323-I377 HydrophobicContact CD2-CG2 4.32Å; Y323-I377 HydrophobicContact CE2-CB 3.8Å; Y323-I377 HydrophobicContact CE2-CG2 4.11Å; Y323-I377 HydrophobicContact CG-CB 4.42Å; I325-I377 HydrophobicContact CD1-CD1 4.3Å; I325-I377 HydrophobicContact CD1-CG1 4.32Å; I325-I377 HydrophobicContact CG1-CD1 4.16Å; I325-I377 HydrophobicContact CG2-CD1 3.97Å; T350-I377 HydrophobicContact CG2-CD1 4.11Å; T350-I377 HydrophobicContact CG2-CG2 4.44Å; A373-I377 WeakPolarHBondContact O-CG2 3.23Å; H374-I377 WeakPolarHBondContact O-CG1 3.31Å; H374-I377 WeakPolarHBondContact O-CG2 3.32Å; H374-I377 PolarHBondContact O-N 3.44Å; H374-I377 VanDerWaalsContact O-N 3.1Å; L375-I377 VanDerWaalsContact C-N 3.35Å
378R97.9Very high96.8Very high2 Ų219.5 Ų19.51%0.0089%0.092CC..SBendtrans-81.6153.8-179.9-54.3-58.8-179.1162.6-2111.2R23 I325 K327 S328 F376 N406R23-R378 PolarHBondContact NH1-O 3.15Å; I325-R378 VanDerWaalsContact CG2-NH2 3.26Å; K327-R378 PolarHBondContact O-NH1 2.99Å; K327-R378 PolarHBondContact O-NH2 3.43Å; S328-R378 PolarHBondContact O-NH2 2.89Å; F376-R378 PolarHBondContact O-N 3.38Å; R378-N406 WeakPolarHBondContact CG-OD1 3.31Å
379D97.6Very high96.7Very high23 Ų2326.5 Ų26.512%0.12313%0.125CC..PPolyproline II helixtrans-85.4148.7167.8-60.3-54.2000110.8W12 R23 R196 R329W12-D379 HydrophobicContact CH2-CB 3.96Å; W12-D379 HydrophobicContact CZ3-CB 4.16Å; R23-D379 IonicContact CZ-OD1 3.75Å; R23-D379 IonicContact NH1-OD1 3.18Å; R23-D379 PolarHBondContact NH1-OD1 3.06Å; R23-D379 IonicContact NH2-OD1 2.62Å; R23-D379 PolarHBondContact NH2-OD1 3.44Å; R196-D379 IonicContact CZ-OD2 2.7Å; R196-D379 VanDerWaalsContact CZ-OD2 3.27Å; R196-D379 IonicContact NE-OD2 3.82Å; R196-D379 PolarHBondContact NE-OD2 2.68Å; R196-D379 IonicContact NH2-OD2 3.28Å; R196-D379 PolarHBondContact NH2-OD2 3.15Å; R329-D379 PolarHBondContact NH1-O 3.5Å; R329-D379 VanDerWaalsContact NH1-O 3.1Å
380P97.2Very high96.5Very high0 Ų027.9 Ų27.90%013%0.132CC..PPolyproline II helixtrans-65.8142.3167.129-32.9000109.5T15 A19 I22 V383 N401 L402T15-P380 HydrophobicContact CG2-CG 4.3Å; T15-P380 WeakPolarHBondContact CG2-O 3.36Å; A19-P380 HydrophobicContact CB-CG 4.09Å; I22-P380 HydrophobicContact CB-CG 4.22Å; I22-P380 HydrophobicContact CD1-CB 4.18Å; I22-P380 HydrophobicContact CD1-CG 3.79Å; I22-P380 HydrophobicContact CG2-CB 4.12Å; I22-P380 HydrophobicContact CG2-CG 4.2Å; P380-V383 HydrophobicContact CB-CG2 3.93Å; P380-V383 HydrophobicContact CG-CG2 4.42Å; P380-N401 WeakPolarHBondContact CA-OD1 3.37Å; P380-N401 WeakPolarHBondContact CB-OD1 3.16Å; P380-L402 VanDerWaalsContact CA-CD2 3.47Å; P380-L402 HydrophobicContact CB-CD2 3.78Å; P380-L402 HydrophobicContact CG-CD2 4.48Å
381L95.4Very high96.4Very high0 Ų029 Ų290%014%0.14CC..  trans-118.6-19.2-174.5-70177.5000114.4W12 L189 N192 I193 R196 D307 R329W12-L381 HydrophobicContact CZ3-CD2 4.32Å; L189-L381 HydrophobicContact CD1-CB 3.46Å; L189-L381 VanDerWaalsContact CD1-CB 3.46Å; L189-L381 HydrophobicContact CD1-CD1 3.71Å; L189-L381 HydrophobicContact CD1-CG 4.28Å; N192-L381 HydrophobicContact CB-CD2 4.44Å; N192-L381 WeakPolarHBondContact CB-O 3.43Å; N192-L381 PolarHBondContact ND2-O 2.79Å; I193-L381 HydrophobicContact CD1-CD1 4.21Å; I193-L381 HydrophobicContact CG1-CD1 3.54Å; R196-L381 HydrophobicContact CB-CD2 4.44Å; D307-L381 HydrophobicContact CB-CD1 4.43Å; R329-L381 VanDerWaalsContact CZ-CD1 3.48Å; R329-L381 VanDerWaalsContact NH1-CG 3.27Å
382S92.5Very high96.3Very high10 Ų1030.1 Ų30.17%0.0715%0.145CC..  trans-137.598.7179.6179.80000108.7N401S382-N401 PolarHBondContact O-ND2 2.99Å
383V94.3Very high96.1Very high4 Ų435.9 Ų35.92%0.02417%0.173CC..  trans-121.8135.2-178.9-177.80000108L10 T15 I22 P380 I388L10-V383 HydrophobicContact CD1-CB 4.17Å; L10-V383 HydrophobicContact CD1-CG1 3.96Å; L10-V383 PolarHBondContact N-O 2.72Å; T15-V383 HydrophobicContact CG2-CB 4.48Å; T15-V383 HydrophobicContact CG2-CG2 3.84Å; I22-V383 HydrophobicContact CD1-CB 4.24Å; I22-V383 HydrophobicContact CD1-CG1 3.82Å; I22-V383 HydrophobicContact CD1-CG2 3.4Å; I22-V383 VanDerWaalsContact CD1-CG2 3.4Å; P380-V383 HydrophobicContact CB-CG2 3.93Å; P380-V383 HydrophobicContact CG-CG2 4.42Å; V383-I388 HydrophobicContact CG1-CG1 4.38Å
384F94.1Very high95.9Very high15 Ų1539 Ų397%0.06619%0.189CC..BIsolated β-bridgetrans-97.2141.6171.8-59.4-43.8000109.9S5 S8 P9 R185 E386 K387S5-F384 WeakPolarHBondContact O-CE2 3.44Å; S8-F384 WeakPolarHBondContact O-CA 3.29Å; P9-F384 HydrophobicContact CB-CD1 3.99Å; P9-F384 HydrophobicContact CB-CE1 3.92Å; R185-F384 HydrophobicContact CB-CZ 4.31Å; F384-E386 PolarHBondContact O-N 3.3Å; F384-K387 HydrophobicContact CB-CB 4.34Å; F384-K387 HydrophobicContact CB-CG 4.37Å; F384-K387 CarbonylContact O-C 3.6Å; F384-K387 WeakPolarHBondContact O-CA 3.16Å; F384-K387 PolarHBondContact O-N 2.57Å
385E95.2Very high95.6Very high124 Ų12441.5 Ų41.558%0.57920%0.201SC*.G310 helixtrans-54.7-40.4-179.8-174.2173.2-17100111.7S8 L10 K387 I388S8-E385 PolarHBondContact O-N 2.93Å; L10-E385 HydrophobicContact CD2-CB 4.12Å; E385-K387 PolarHBondContact O-N 3.02Å; E385-K387 VanDerWaalsContact O-N 3.16Å; E385-I388 HydrophobicContact CG-CD1 4.3Å; E385-I388 WeakPolarHBondContact O-CG1 3.3Å; E385-I388 PolarHBondContact O-N 2.82Å
386E94.6Very high95.5Very high106 Ų10642.3 Ų42.350%0.49521%0.207SC..G310 helixtrans-67.9-14.8179.2-5482.717700112.8G7 S8 F384G7-E386 WeakPolarHBondContact CA-OE2 3.48Å; S8-E386 VanDerWaalsContact CB-OE1 3.27Å; S8-E386 WeakPolarHBondContact CB-OE1 3.39Å; S8-E386 PolarHBondContact N-OE1 3.13Å; S8-E386 VanDerWaalsContact N-OE1 3.14Å; S8-E386 PolarHBondContact N-OE2 2.81Å; S8-E386 PolarHBondContact OG-OE1 3.28Å; F384-E386 PolarHBondContact O-N 3.3Å
387K93.6Very high95.3Very high55 Ų5544.7 Ų44.724%0.23922%0.22CC..G310 helixtrans-110.115.5-177.1-67.1-68.1-169.11560113.2F384 E385 L390 E395 D397 H398F384-K387 HydrophobicContact CB-CB 4.34Å; F384-K387 HydrophobicContact CB-CG 4.37Å; F384-K387 CarbonylContact O-C 3.6Å; F384-K387 WeakPolarHBondContact O-CA 3.16Å; F384-K387 PolarHBondContact O-N 2.57Å; E385-K387 PolarHBondContact O-N 3.02Å; E385-K387 VanDerWaalsContact O-N 3.16Å; K387-L390 HydrophobicContact CB-CD2 4.32Å; K387-L390 HydrophobicContact CD-CD1 4.45Å; K387-L390 HydrophobicContact CD-CD2 3.53Å; K387-E395 IonicContact NZ-OE1 3.92Å; K387-E395 PolarHBondContact NZ-OE1 3.2Å; K387-D397 VanDerWaalsContact CE-OD1 3.26Å; K387-D397 WeakPolarHBondContact CE-OD1 3.44Å; K387-D397 IonicContact NZ-OD1 3.88Å; K387-D397 PolarHBondContact NZ-OD1 3.08Å; K387-D397 IonicContact NZ-OD2 3.12Å; K387-H398 PolarHBondContact O-NE2 2.86Å
388I95.4Very high95.3Very high9 Ų944.8 Ų44.85%0.04622%0.22CC..SBendtrans-72.2-43.1176.2-64.2169.4000111.3L10 Y18 H21 V383 E385 H398L10-I388 HydrophobicContact CD1-CD1 4.16Å; L10-I388 HydrophobicContact CD1-CG1 4.45Å; Y18-I388 HydrophobicContact CD1-CG2 3.76Å; Y18-I388 HydrophobicContact CD2-CD1 4.12Å; Y18-I388 HydrophobicContact CE1-CD1 4.35Å; Y18-I388 HydrophobicContact CE1-CG2 3.88Å; Y18-I388 HydrophobicContact CE2-CD1 3.78Å; Y18-I388 HydrophobicContact CG-CG2 4.29Å; H21-I388 PolarHBondContact CD2-O 2.93Å; H21-I388 PolarHBondContact NE2-O 3.07Å; V383-I388 HydrophobicContact CG1-CG1 4.38Å; E385-I388 HydrophobicContact CG-CD1 4.3Å; E385-I388 WeakPolarHBondContact O-CG1 3.3Å; E385-I388 PolarHBondContact O-N 2.82Å; I388-H398 PolarHBondContact O-CE1 3.29Å; I388-H398 PolarHBondContact O-NE2 3.03Å
389H96.3Very high95.3Very high146 Ų14644.7 Ų44.768%0.67622%0.219SC*.SBendtrans-114.8113.6-178.3-60.8-60.7000109.3H21H21-H389 AromaticContact CE1-ND1 3.91Å; H21-H389 AromaticContact NE2-ND1 3.9Å
390L94.7Very high95.2Very high29 Ų2946.6 Ų46.615%0.15223%0.228CC..  trans-127.2164.6-172.8-59.9179.9000111K387 D392 E395 D397 H398K387-L390 HydrophobicContact CB-CD2 4.32Å; K387-L390 HydrophobicContact CD-CD1 4.45Å; K387-L390 HydrophobicContact CD-CD2 3.53Å; L390-D392 PolarHBondContact O-N 2.81Å; L390-E395 HydrophobicContact CB-CB 4.44Å; L390-D397 HydrophobicContact CD1-CB 3.64Å; L390-H398 WeakPolarHBondContact CD1-NE2 3.47Å
391D96.1Very high95Very high73 Ų7347.7 Ų47.739%0.3923%0.234SC..  trans-84.4100.9168.4179.24.4000110.4E393 N394 E395D391-E393 PolarHBondContact O-N 3.21Å; D391-E393 VanDerWaalsContact O-N 3.07Å; D391-E393 PolarHBondContact OD1-N 3.2Å; D391-N394 PolarHBondContact O-N 3.05Å; D391-N394 VanDerWaalsContact O-N 3.11Å; D391-N394 PolarHBondContact OD2-ND2 2.89Å; D391-E395 PolarHBondContact N-OE2 2.84Å; D391-E395 WeakPolarHBondContact O-CB 3.47Å; D391-E395 PolarHBondContact O-N 2.88Å
392D96.9Very high95.1Very high24 Ų2447.7 Ų47.713%0.12823%0.234CC..THydrogen-bonded Turntrans-62.4-16.9-177.5-65.9-30.8000114.2H25 I28 Q29 N32 L390H25-D392 IonicContact CE1-OD2 3.39Å; H25-D392 PolarHBondContact CE1-OD2 3.16Å; H25-D392 IonicContact CG-OD1 3.68Å; H25-D392 IonicContact CG-OD2 2.83Å; H25-D392 IonicContact ND1-OD1 2.72Å; H25-D392 PolarHBondContact ND1-OD1 3.22Å; H25-D392 IonicContact ND1-OD2 2.82Å; H25-D392 PolarHBondContact ND1-OD2 2.95Å; I28-D392 HydrophobicContact CB-CB 4.4Å; I28-D392 HydrophobicContact CG2-CB 3.77Å; Q29-D392 HydrophobicContact CG-CB 3.86Å; Q29-D392 WeakPolarHBondContact CG-OD1 3.2Å; Q29-D392 PolarHBondContact NE2-OD1 3.13Å; N32-D392 PolarHBondContact ND2-O 2.58Å; L390-D392 PolarHBondContact O-N 2.81Å
393E94.6Very high95.2Very high123 Ų12347.5 Ų47.558%0.57523%0.232SC*.THydrogen-bonded Turntrans-79.9-28.3177.7-66.8-168.9175.900112.6K36 D391K36-E393 PolarHBondContact NZ-O 2.92Å; D391-E393 PolarHBondContact O-N 3.21Å; D391-E393 VanDerWaalsContact O-N 3.07Å; D391-E393 PolarHBondContact OD1-N 3.2Å
394N93.6Very high95.2Very high66 Ų6648.4 Ų48.435%0.35324%0.238SC..THydrogen-bonded Turntrans-123.6-16-167.5-66.1-57.4000114.1D391 P417 N418D391-N394 PolarHBondContact O-N 3.05Å; D391-N394 VanDerWaalsContact O-N 3.11Å; D391-N394 PolarHBondContact OD2-ND2 2.89Å; N394-P417 VanDerWaalsContact O-CB 3.28Å; N394-P417 WeakPolarHBondContact O-CB 3.25Å; N394-N418 PolarHBondContact OD1-ND2 3.09Å
395E94.1Very high95.3Very high58 Ų5847.8 Ų47.827%0.27124%0.235SC..  trans-111.3162.1175.4-66.5-177.195.100111.3Q29 K387 L390 D391Q29-E395 WeakPolarHBondContact CG-O 3.18Å; K387-E395 IonicContact NZ-OE1 3.92Å; K387-E395 PolarHBondContact NZ-OE1 3.2Å; L390-E395 HydrophobicContact CB-CB 4.44Å; D391-E395 PolarHBondContact N-OE2 2.84Å; D391-E395 WeakPolarHBondContact O-CB 3.47Å; D391-E395 PolarHBondContact O-N 2.88Å
396S95.3Very high95.4Very high18 Ų1842.1 Ų42.113%0.12621%0.209CC..  trans-136.39.7-179.157.90000113.2Q29 H398 F399 E400 P417Q29-S396 VanDerWaalsContact OE1-CA 3.31Å; Q29-S396 PolarHBondContact OE1-O 3.36Å; S396-H398 VanDerWaalsContact C-N 3.28Å; S396-H398 PolarHBondContact O-N 3.31Å; S396-F399 WeakPolarHBondContact O-CB 3.3Å; S396-F399 PolarHBondContact O-N 3.18Å; S396-F399 VanDerWaalsContact O-N 3.15Å; S396-E400 WeakPolarHBondContact O-CB 3.45Å; S396-E400 PolarHBondContact O-N 3.5Å; S396-P417 VanDerWaalsContact OG-CD 3.3Å; S396-P417 WeakPolarHBondContact OG-CD 3.21Å
397D94.5Very high95.5Very high51 Ų5138.3 Ų38.327%0.27319%0.19SC..Hα-helixtrans-64.4-29.8-169.7-54.1-141.2000112.6K387 L390 N401K387-D397 VanDerWaalsContact CE-OD1 3.26Å; K387-D397 WeakPolarHBondContact CE-OD1 3.44Å; K387-D397 IonicContact NZ-OD1 3.88Å; K387-D397 PolarHBondContact NZ-OD1 3.08Å; K387-D397 IonicContact NZ-OD2 3.12Å; L390-D397 HydrophobicContact CD1-CB 3.64Å; D397-N401 WeakPolarHBondContact O-CB 3.44Å; D397-N401 PolarHBondContact O-N 3.5Å
398H97.1Very high95.8Very high4 Ų436.1 Ų36.12%0.01918%0.181CC..Hα-helixtrans-73.4-40.7175.7-67.6168.6000111.5H21 I22 H25 K387 I388 L390 S396 N401H21-H398 AromaticContact NE2-CE1 3.96Å; I22-H398 HydrophobicContact CG2-CB 3.99Å; H25-H398 WeakPolarHBondContact CB-ND1 3.4Å; K387-H398 PolarHBondContact O-NE2 2.86Å; I388-H398 PolarHBondContact O-CE1 3.29Å; I388-H398 PolarHBondContact O-NE2 3.03Å; L390-H398 WeakPolarHBondContact CD1-NE2 3.47Å; S396-H398 VanDerWaalsContact C-N 3.28Å; S396-H398 PolarHBondContact O-N 3.31Å; H398-N401 WeakPolarHBondContact O-CB 3.38Å; H398-N401 PolarHBondContact O-N 3.44Å
399F97.6Very high95.9Very high0 Ų035.7 Ų35.70%018%0.178CC..Hα-helixtrans-61.3-50.7171.1176.7-101.3000110.9Q29 F30 I372 F376 S396 N401 L402 Q403 P414Q29-F399 HydrophobicContact CB-CB 4.28Å; F30-F399 HydrophobicContact CB-CD2 3.61Å; F30-F399 HydrophobicContact CB-CE2 3.85Å; F30-F399 HydrophobicContact CB-CG 4.29Å; F30-F399 HydrophobicContact CD2-CD2 4.31Å; F30-F399 AromaticContact CD2-CE2 3.74Å; F30-F399 HydrophobicContact CD2-CE2 3.74Å; F30-F399 AromaticContact CD2-CZ 3.92Å; F30-F399 HydrophobicContact CD2-CZ 3.92Å; F30-F399 HydrophobicContact CG-CD2 4.22Å; F30-F399 AromaticContact CG-CE2 3.92Å; F30-F399 HydrophobicContact CG-CE2 3.92Å; I372-F399 HydrophobicContact CD1-CE2 4.16Å; I372-F399 HydrophobicContact CD1-CZ 4.29Å; F376-F399 AromaticContact CE2-CD2 3.92Å; F376-F399 HydrophobicContact CE2-CD2 3.92Å; F376-F399 HydrophobicContact CE2-CE2 4.01Å; F376-F399 AromaticContact CZ-CD2 3.77Å; F376-F399 HydrophobicContact CZ-CD2 3.77Å; F376-F399 HydrophobicContact CZ-CE2 4.33Å; S396-F399 WeakPolarHBondContact O-CB 3.3Å; S396-F399 PolarHBondContact O-N 3.18Å; S396-F399 VanDerWaalsContact O-N 3.15Å; F399-N401 PolarHBondContact O-N 3.13Å; F399-L402 PolarHBondContact O-N 3.24Å; F399-L402 VanDerWaalsContact O-N 3.15Å; F399-Q403 HydrophobicContact CD1-CB 4.13Å; F399-Q403 HydrophobicContact CE1-CB 3.74Å; F399-Q403 HydrophobicContact CE1-CG 3.79Å; F399-Q403 HydrophobicContact CZ-CB 4Å; F399-Q403 HydrophobicContact CZ-CG 4.17Å; F399-Q403 WeakPolarHBondContact O-CB 3.14Å; F399-Q403 PolarHBondContact O-N 3.33Å; F399-P414 HydrophobicContact CE1-CG 3.7Å; F399-P414 HydrophobicContact CZ-CG 3.83Å
400E95.4Very high96Very high64 Ų6428.7 Ų28.730%0.29915%0.146SC..Hα-helixtrans-63.4-24.5178.3-74-61.8155.900112.6S396 L402 S404S396-E400 WeakPolarHBondContact O-CB 3.45Å; S396-E400 PolarHBondContact O-N 3.5Å; E400-L402 VanDerWaalsContact C-N 3.29Å; E400-L402 PolarHBondContact O-N 2.8Å; E400-S404 WeakPolarHBondContact O-CA 3.3Å; E400-S404 WeakPolarHBondContact O-CB 3.49Å; E400-S404 PolarHBondContact O-N 2.77Å; E400-S404 PolarHBondContact O-OG 3.08Å
401N94.4Very high96.2Very high23 Ų2328.4 Ų28.412%0.12314%0.143CC..Hα-helixtrans-57.1-45.5173.9-155.2-70.9000111.2I22 P380 S382 D397 H398 F399 T405I22-N401 HydrophobicContact CG2-CB 4.3Å; P380-N401 WeakPolarHBondContact CA-OD1 3.37Å; P380-N401 WeakPolarHBondContact CB-OD1 3.16Å; S382-N401 PolarHBondContact O-ND2 2.99Å; D397-N401 WeakPolarHBondContact O-CB 3.44Å; D397-N401 PolarHBondContact O-N 3.5Å; H398-N401 WeakPolarHBondContact O-CB 3.38Å; H398-N401 PolarHBondContact O-N 3.44Å; F399-N401 PolarHBondContact O-N 3.13Å; N401-T405 WeakPolarHBondContact O-CB 3.26Å; N401-T405 WeakPolarHBondContact O-CG2 3.33Å; N401-T405 PolarHBondContact O-OG1 3.25Å
402L96.3Very high96.3Very high0 Ų025 Ų250%013%0.125CC..Hα-helixtrans-87.7-40.6179.9-59.4-161.3000112.1R23 F376 P380 F399 E400 T405 N406R23-L402 HydrophobicContact CG-CD1 3.78Å; F376-L402 HydrophobicContact CB-CD1 4.28Å; F376-L402 HydrophobicContact CD1-CD1 3.62Å; F376-L402 HydrophobicContact CD2-CB 4.46Å; F376-L402 HydrophobicContact CD2-CD1 4.16Å; F376-L402 HydrophobicContact CE1-CD1 3.87Å; F376-L402 HydrophobicContact CE2-CB 4.21Å; F376-L402 HydrophobicContact CE2-CD1 4.39Å; F376-L402 HydrophobicContact CG-CD1 3.77Å; F376-L402 HydrophobicContact CZ-CB 4.36Å; F376-L402 HydrophobicContact CZ-CD1 4.24Å; P380-L402 VanDerWaalsContact CA-CD2 3.47Å; P380-L402 HydrophobicContact CB-CD2 3.78Å; P380-L402 HydrophobicContact CG-CD2 4.48Å; F399-L402 PolarHBondContact O-N 3.24Å; F399-L402 VanDerWaalsContact O-N 3.15Å; E400-L402 VanDerWaalsContact C-N 3.29Å; E400-L402 PolarHBondContact O-N 2.8Å; L402-T405 CarbonylContact O-C 3.45Å; L402-T405 PolarHBondContact O-N 2.91Å; L402-T405 PolarHBondContact O-OG1 2.98Å; L402-N406 PolarHBondContact O-N 3.15Å; L402-N406 PolarHBondContact O-ND2 3.48Å
403Q95.7Very high96.3Very high6 Ų625 Ų253%0.02812%0.124CC..Hα-helixtrans-61.9-48.9178.4168.366.5-9.700112L375 F399 T405 N406 F412L375-Q403 VanDerWaalsContact CD1-OE1 3.27Å; F399-Q403 HydrophobicContact CD1-CB 4.13Å; F399-Q403 HydrophobicContact CE1-CB 3.74Å; F399-Q403 HydrophobicContact CE1-CG 3.79Å; F399-Q403 HydrophobicContact CZ-CB 4Å; F399-Q403 HydrophobicContact CZ-CG 4.17Å; F399-Q403 WeakPolarHBondContact O-CB 3.14Å; F399-Q403 PolarHBondContact O-N 3.33Å; Q403-T405 PolarHBondContact O-N 3.22Å; Q403-N406 PolarHBondContact O-N 2.65Å; Q403-F412 PolarHBondContact NE2-O 3.27Å
404S94.1Very high96.4Very high22 Ų2219.3 Ų19.315%0.15410%0.097CC..THydrogen-bonded Turntrans-70.3-17.8-17874.30000113.5R185 E400 W407 R411R185-S404 PolarHBondContact NH2-OG 3.49Å; E400-S404 WeakPolarHBondContact O-CA 3.3Å; E400-S404 WeakPolarHBondContact O-CB 3.49Å; E400-S404 PolarHBondContact O-N 2.77Å; E400-S404 PolarHBondContact O-OG 3.08Å; S404-W407 VanDerWaalsContact O-CE2 3.3Å; S404-W407 PolarHBondContact O-NE1 2.88Å; S404-R411 PolarHBondContact O-NH2 3.42Å
405T95.6Very high96.4Very high2 Ų216.4 Ų16.41%0.0128%0.082CC..THydrogen-bonded Turntrans-1089.6178.362.70000113.5R329 N401 L402 Q403 W407R329-T405 VanDerWaalsContact CZ-O 3.3Å; R329-T405 PolarHBondContact NE-O 2.93Å; R329-T405 VanDerWaalsContact NH2-CB 3.33Å; R329-T405 PolarHBondContact NH2-O 2.95Å; R329-T405 PolarHBondContact NH2-OG1 2.77Å; N401-T405 WeakPolarHBondContact O-CB 3.26Å; N401-T405 WeakPolarHBondContact O-CG2 3.33Å; N401-T405 PolarHBondContact O-OG1 3.25Å; L402-T405 CarbonylContact O-C 3.45Å; L402-T405 PolarHBondContact O-N 2.91Å; L402-T405 PolarHBondContact O-OG1 2.98Å; Q403-T405 PolarHBondContact O-N 3.22Å; T405-W407 HydrophobicContact CG2-CH2 3.8Å; T405-W407 HydrophobicContact CG2-CZ2 3.88Å; T405-W407 VanDerWaalsContact O-CZ3 3.22Å; T405-W407 WeakPolarHBondContact O-CZ3 3.36Å
406N97.1Very high96.3Very high6 Ų615.8 Ų15.83%0.0328%0.083CC..  trans-100.6108.5155.7-78.4-88000106.3R329 L375 R378 L402 Q403 R411R329-N406 CarbonylContact O-C 3.6Å; R329-N406 WeakPolarHBondContact O-CA 3.46Å; L375-N406 HydrophobicContact CD2-CB 3.62Å; L375-N406 PolarHBondContact O-ND2 3.29Å; R378-N406 WeakPolarHBondContact CG-OD1 3.31Å; L402-N406 PolarHBondContact O-N 3.15Å; L402-N406 PolarHBondContact O-ND2 3.48Å; Q403-N406 PolarHBondContact O-N 2.65Å; N406-R411 PolarHBondContact O-NH2 3.13Å; N406-R411 VanDerWaalsContact O-NH2 3.11Å
407W98.1Very high96.1Very high25 Ų2516.4 Ų16.410%0.0959%0.087CC..EExtended strand (participates in β ladder)trans-105.685.4-172.1-64.8-83000110L189 M246 V305 R329 Y330 D331 S404 T405L189-W407 HydrophobicContact CD1-CH2 4.39Å; L189-W407 HydrophobicContact CD2-CH2 3.84Å; L189-W407 HydrophobicContact CD2-CZ2 4.1Å; M246-W407 HydrophobicContact CE-CD2 3.77Å; M246-W407 HydrophobicContact CE-CE3 4.01Å; M246-W407 HydrophobicContact CE-CG 4.3Å; M246-W407 HydrophobicContact CE-CH2 4.12Å; M246-W407 HydrophobicContact CE-CZ2 3.86Å; M246-W407 HydrophobicContact CE-CZ3 4.18Å; V305-W407 HydrophobicContact CB-CZ3 4.3Å; V305-W407 HydrophobicContact CG2-CE3 4.09Å; V305-W407 HydrophobicContact CG2-CZ3 4.11Å; R329-W407 HydrophobicContact CG-CE3 4.17Å; R329-W407 HydrophobicContact CG-CZ3 4.02Å; R329-W407 PolarHBondContact O-N 2.84Å; Y330-W407 CarbonylContact C-O 3.53Å; Y330-W407 WeakPolarHBondContact CA-O 3.45Å; Y330-W407 HydrophobicContact CD1-CB 4.47Å; Y330-W407 HydrophobicContact CD2-CB 3.14Å; Y330-W407 HydrophobicContact CD2-CD2 4.13Å; Y330-W407 HydrophobicContact CD2-CE3 4.3Å; Y330-W407 AromaticContact CD2-CG 3.69Å; Y330-W407 HydrophobicContact CD2-CG 3.69Å; Y330-W407 HydrophobicContact CE2-CB 3.56Å; Y330-W407 HydrophobicContact CE2-CG 4.08Å; Y330-W407 HydrophobicContact CG-CB 3.64Å; D331-W407 PolarHBondContact N-O 2.79Å; S404-W407 VanDerWaalsContact O-CE2 3.3Å; S404-W407 PolarHBondContact O-NE1 2.88Å; T405-W407 HydrophobicContact CG2-CH2 3.8Å; T405-W407 HydrophobicContact CG2-CZ2 3.88Å; T405-W407 VanDerWaalsContact O-CZ3 3.22Å; T405-W407 WeakPolarHBondContact O-CZ3 3.36Å
408Q98.1Very high95.8Very high9 Ų920 Ų204%0.04211%0.106CC..EExtended strand (participates in β ladder)trans-91.2170.3-178.4-74.2174.7-2900113.5Y267 D331 I333 D334 M410 R428Y267-Q408 PolarHBondContact OH-OE1 3.46Å; D331-Q408 CarbonylContact O-C 3.57Å; D331-Q408 WeakPolarHBondContact O-CA 3.43Å; I333-Q408 HydrophobicContact CG2-CB 4.16Å; D334-Q408 PolarHBondContact OD2-NE2 2.59Å; Q408-M410 VanDerWaalsContact C-N 3.28Å; Q408-M410 WeakPolarHBondContact CB-O 3.15Å; Q408-R428 WeakPolarHBondContact O-CD 3.22Å; Q408-R428 PolarHBondContact O-NE 2.76Å; Q408-R428 VanDerWaalsContact O-NE 3.08Å
409T98.5Very high95.5Very high0 Ų021.9 Ų21.90%012%0.12CC..SBendtrans-62.6-35.7171.746.10000112.6C274 W298 D331 I333 R428 P429 M471C274-T409 HydrophobicContact CB-CG2 4.11Å; W298-T409 HydrophobicContact CD2-CG2 4.39Å; W298-T409 HydrophobicContact CH2-CG2 3.56Å; W298-T409 HydrophobicContact CZ2-CG2 3.24Å; W298-T409 HydrophobicContact CZ3-CG2 4.24Å; D331-T409 PolarHBondContact O-N 2.55Å; I333-T409 PolarHBondContact N-OG1 3.4Å; T409-R428 WeakPolarHBondContact O-CB 3.29Å; T409-R428 PolarHBondContact O-N 3.25Å; T409-P429 HydrophobicContact CG2-CB 4.29Å; T409-P429 WeakPolarHBondContact O-CD 3.31Å; T409-M471 HydrophobicContact CG2-CE 3.4Å; T409-M471 HydrophobicContact CG2-SD 3.97Å
410M98.6Very high95.1Very high0 Ų026.9 Ų26.90%015%0.146CC..EExtended strand (participates in β ladder)trans-118.1145.2167.3-62.1-60.4-61.600109.2F255 Y267 L270 A271 C274 I333 Q408 E426 F427F255-M410 HydrophobicContact CZ-CE 4.4Å; Y267-M410 HydrophobicContact CD2-CB 3.61Å; Y267-M410 HydrophobicContact CE2-CB 3.42Å; Y267-M410 VanDerWaalsContact CE2-CB 3.42Å; Y267-M410 HydrophobicContact CG-CB 4.34Å; L270-M410 HydrophobicContact CB-CE 3.68Å; L270-M410 HydrophobicContact CB-SD 3.92Å; L270-M410 HydrophobicContact CD1-CE 4.05Å; A271-M410 HydrophobicContact CB-CG 4.04Å; C274-M410 VanDerWaalsContact SG-SD 3.66Å; I333-M410 HydrophobicContact CG2-CB 3.76Å; I333-M410 HydrophobicContact CG2-CG 4.32Å; Q408-M410 VanDerWaalsContact C-N 3.28Å; Q408-M410 WeakPolarHBondContact CB-O 3.15Å; M410-E426 CarbonylContact C-O 3.44Å; M410-E426 WeakPolarHBondContact CA-O 3.36Å; M410-F427 HydrophobicContact CE-CB 4.33Å; M410-F427 HydrophobicContact CE-CD2 4.21Å; M410-F427 HydrophobicContact SD-CB 4.1Å; M410-F427 HydrophobicContact SD-CD2 3.38Å; M410-F427 WeakPolarHBondContact SD-CD2 3.46Å; M410-F427 HydrophobicContact SD-CE2 4.13Å; M410-F427 HydrophobicContact SD-CG 4.08Å
411R98.5Very high95Very high23 Ų2326.4 Ų26.49%0.08715%0.145CC..EExtended strand (participates in β ladder)trans-124.1125.4170.6-178.2-178.5-76.2158.5-14.9110.6S404 N406 K413 V425 E426 R428S404-R411 PolarHBondContact O-NH2 3.42Å; N406-R411 PolarHBondContact O-NH2 3.13Å; N406-R411 VanDerWaalsContact O-NH2 3.11Å; R411-K413 HydrophobicContact CB-CG 4.43Å; R411-K413 HydrophobicContact CG-CD 4.45Å; R411-K413 HydrophobicContact CG-CG 3.74Å; R411-V425 CarbonylContact O-C 3.55Å; R411-V425 VanDerWaalsContact O-CA 3.26Å; R411-V425 WeakPolarHBondContact O-CA 3.23Å; R411-E426 HydrophobicContact CB-CB 4.22Å; R411-E426 IonicContact CZ-OE2 2.78Å; R411-E426 PolarHBondContact N-O 3.23Å; R411-E426 IonicContact NE-OE2 3.63Å; R411-E426 IonicContact NH1-OE2 3.66Å; R411-E426 PolarHBondContact NH1-OE2 2.99Å; R411-E426 PolarHBondContact O-N 3.26Å; R411-R428 VanDerWaalsContact NH1-NH1 3.11Å
412F98.3Very high95Very high2 Ų225.3 Ų25.31%0.00914%0.139CC..EExtended strand (participates in β ladder)trans-87.2118.2170.1174.2-105.7000109.1I260 A263 R264 Y267 L337 L368 Q403 W423 V425I260-F412 HydrophobicContact CD1-CZ 4.17Å; I260-F412 HydrophobicContact CG1-CE2 4.28Å; I260-F412 HydrophobicContact CG1-CZ 3.84Å; A263-F412 HydrophobicContact CB-CD2 4.3Å; A263-F412 HydrophobicContact CB-CE2 3.86Å; R264-F412 HydrophobicContact CG-CE2 4.02Å; R264-F412 HydrophobicContact CG-CZ 4.41Å; Y267-F412 HydrophobicContact CD2-CB 3.86Å; Y267-F412 HydrophobicContact CE2-CB 4.02Å; L337-F412 HydrophobicContact CD1-CB 3.72Å; L337-F412 HydrophobicContact CD1-CD1 4.33Å; L337-F412 HydrophobicContact CD1-CD2 4.11Å; L337-F412 HydrophobicContact CD1-CG 3.81Å; L368-F412 HydrophobicContact CD1-CD1 4.29Å; L368-F412 HydrophobicContact CD1-CE1 3.8Å; L368-F412 HydrophobicContact CD1-CZ 4.44Å; Q403-F412 PolarHBondContact NE2-O 3.27Å; F412-W423 AromaticContact CE1-CE3 3.87Å; F412-W423 HydrophobicContact CE1-CE3 3.87Å; F412-W423 AromaticContact CE1-CZ3 3.53Å; F412-W423 HydrophobicContact CE1-CZ3 3.53Å; F412-W423 AromaticContact CE2-CE3 3.84Å; F412-W423 HydrophobicContact CE2-CE3 3.84Å; F412-W423 HydrophobicContact CE2-CZ3 4.33Å; F412-W423 HydrophobicContact CZ-CD2 4.31Å; F412-W423 AromaticContact CZ-CE3 3.23Å; F412-W423 HydrophobicContact CZ-CE3 3.23Å; F412-W423 HydrophobicContact CZ-CH2 4.4Å; F412-W423 AromaticContact CZ-CZ3 3.29Å; F412-W423 HydrophobicContact CZ-CZ3 3.29Å; F412-V425 HydrophobicContact CD2-CG1 4.24Å
413K97.2Very high95Very high24 Ų2425.3 Ų25.310%0.10414%0.139CC..EExtended strand (participates in β ladder)trans-115.2107.6-167.7-63174.178.7124.40110.1T254 R411 R424 E426T254-K413 HydrophobicContact CG2-CD 4.36Å; R411-K413 HydrophobicContact CB-CG 4.43Å; R411-K413 HydrophobicContact CG-CD 4.45Å; R411-K413 HydrophobicContact CG-CG 3.74Å; K413-R424 HydrophobicContact CB-CB 3.98Å; K413-R424 PolarHBondContact N-O 3.3Å; K413-R424 PolarHBondContact O-N 2.83Å; K413-E426 HydrophobicContact CD-CB 3.85Å; K413-E426 IonicContact NZ-OE1 3.75Å; K413-E426 PolarHBondContact NZ-OE1 3.08Å; K413-E426 IonicContact NZ-OE2 3.94Å
414P95.6Very high95.1Very high3 Ų327.3 Ų27.32%0.01915%0.146CC..PPolyproline II helixtrans-57.2155.6169.4-24.535.4000112.2F30 I33 F399 W423 R424F30-P414 HydrophobicContact CD2-CG 4.26Å; F30-P414 HydrophobicContact CE2-CG 4.13Å; I33-P414 HydrophobicContact CG2-CB 4.06Å; F399-P414 HydrophobicContact CE1-CG 3.7Å; F399-P414 HydrophobicContact CZ-CG 3.83Å; P414-W423 HydrophobicContact CB-CE3 4.48Å; P414-W423 HydrophobicContact CB-CH2 4.4Å; P414-W423 HydrophobicContact CB-CZ3 3.89Å; P414-W423 HydrophobicContact CG-CZ3 4.06Å; P414-R424 PolarHBondContact O-NH2 3.18Å
415P94.3Very high95.3Very high5 Ų526.2 Ų26.23%0.03214%0.139CC..PPolyproline II helixtrans-56.6136.1169.4-30.640.1000112I33 V37 I421 W423I33-P415 WeakPolarHBondContact CG2-O 3.43Å; V37-P415 HydrophobicContact CB-CG 4.35Å; V37-P415 HydrophobicContact CG2-CB 4.28Å; V37-P415 HydrophobicContact CG2-CG 3.65Å; P415-I421 WeakPolarHBondContact CB-O 3.28Å; P415-W423 HydrophobicContact CG-CD2 4.28Å; P415-W423 HydrophobicContact CG-CG 4.34Å
416P92.8Very high95.5Very high44 Ų4426.1 Ų26.129%0.28614%0.139SC..PPolyproline II helixtrans-60.3140.4165.5-18.331.5000109.9N418 S419 I421P416-N418 PolarHBondContact O-N 3.1Å; P416-S419 WeakPolarHBondContact CD-OG 3.4Å; P416-S419 PolarHBondContact O-N 3.35Å; P416-S419 PolarHBondContact O-OG 3Å; P416-I421 HydrophobicContact CG-CB 4.49Å; P416-I421 HydrophobicContact CG-CD1 4.23Å
417P90.6Very high95.5Very high32 Ų3225.9 Ų25.921%0.20814%0.137CC..THydrogen-bonded Turntrans-51.9142.5174.2-25.132.7000111.6I33 N394 S396 S419I33-P417 HydrophobicContact CD1-CG 4.13Å; I33-P417 HydrophobicContact CG1-CG 4.18Å; N394-P417 VanDerWaalsContact O-CB 3.28Å; N394-P417 WeakPolarHBondContact O-CB 3.25Å; S396-P417 VanDerWaalsContact OG-CD 3.3Å; S396-P417 WeakPolarHBondContact OG-CD 3.21Å; P417-S419 PolarHBondContact O-N 2.89Å
418N88.4Confident95.6Very high127 Ų12725.3 Ų25.368%0.67914%0.135SC*.THydrogen-bonded Turntrans57.431.7172.1-53.7-42000114.7N394 P416N394-N418 PolarHBondContact OD1-ND2 3.09Å; P416-N418 PolarHBondContact O-N 3.1Å
419S89.4Confident95.6Very high43 Ų4324.9 Ų24.930%0.30113%0.133SC..SBendtrans-123.2161.2177.575.30000112.9P416 P417 I421P416-S419 WeakPolarHBondContact CD-OG 3.4Å; P416-S419 PolarHBondContact O-N 3.35Å; P416-S419 PolarHBondContact O-OG 3Å; P417-S419 PolarHBondContact O-N 2.89Å; S419-I421 PolarHBondContact O-N 2.9Å; S419-I421 PolarHBondContact OG-N 2.94Å
420D89.5Confident95.6Very high105 Ų10524.9 Ų24.956%0.56113%0.133SC*.SBendtrans-82.31.9172.674.8-37.2000112.7R40 K46R40-D420 PolarHBondContact NH1-O 3.31Å; R40-D420 PolarHBondContact NH2-O 2.86Å; K46-D420 IonicContact NZ-OD2 3.42Å
421I92.9Very high95.6Very high54 Ų5424.9 Ų24.928%0.27713%0.133SC..  trans-75.5135.1-179.2-63.1170.9000109.7R40 P415 P416 S419 R424R40-I421 PolarHBondContact NH1-O 2.98Å; R40-I421 VanDerWaalsContact NH1-O 3.13Å; P415-I421 WeakPolarHBondContact CB-O 3.28Å; P416-I421 HydrophobicContact CG-CB 4.49Å; P416-I421 HydrophobicContact CG-CD1 4.23Å; S419-I421 PolarHBondContact O-N 2.9Å; S419-I421 PolarHBondContact OG-N 2.94Å; I421-R424 HydrophobicContact CG2-CG 4.4Å
422G95Very high95.6Very high0 Ų023.8 Ų23.80%013%0.129CC..  trans-88.9-170.6179.800000114.1D43 R424D43-G422 WeakPolarHBondContact OD2-CA 3.31Å; G422-R424 PolarHBondContact O-N 2.95Å
423W97.2Very high95.6Very high0 Ų023.7 Ų23.70%013%0.129CC..  trans-66.1130.1171.7-66.692.5000109.5Y34 V37 A257 I260 A263 F412 P414 P415Y34-W423 AromaticContact CD2-CH2 3.94Å; Y34-W423 HydrophobicContact CD2-CH2 3.94Å; Y34-W423 HydrophobicContact CD2-CZ2 4.19Å; V37-W423 HydrophobicContact CG2-CZ2 3.65Å; V37-W423 PolarHBondContact O-NE1 3.49Å; A257-W423 PolarHBondContact N-O 3.27Å; I260-W423 HydrophobicContact CB-CD2 3.9Å; I260-W423 HydrophobicContact CB-CG 3.99Å; I260-W423 HydrophobicContact CB-CZ2 4.38Å; I260-W423 HydrophobicContact CD1-CD2 4.21Å; I260-W423 HydrophobicContact CD1-CE3 4.2Å; I260-W423 HydrophobicContact CD1-CH2 3.68Å; I260-W423 HydrophobicContact CD1-CZ2 3.66Å; I260-W423 HydrophobicContact CD1-CZ3 3.95Å; I260-W423 HydrophobicContact CG1-CD2 3.8Å; I260-W423 HydrophobicContact CG1-CE3 3.95Å; I260-W423 HydrophobicContact CG1-CG 4.32Å; I260-W423 HydrophobicContact CG1-CH2 4.31Å; I260-W423 HydrophobicContact CG1-CZ2 4.16Å; I260-W423 HydrophobicContact CG1-CZ3 4.21Å; A263-W423 HydrophobicContact CB-CB 3.91Å; F412-W423 AromaticContact CE1-CE3 3.87Å; F412-W423 HydrophobicContact CE1-CE3 3.87Å; F412-W423 AromaticContact CE1-CZ3 3.53Å; F412-W423 HydrophobicContact CE1-CZ3 3.53Å; F412-W423 AromaticContact CE2-CE3 3.84Å; F412-W423 HydrophobicContact CE2-CE3 3.84Å; F412-W423 HydrophobicContact CE2-CZ3 4.33Å; F412-W423 HydrophobicContact CZ-CD2 4.31Å; F412-W423 AromaticContact CZ-CE3 3.23Å; F412-W423 HydrophobicContact CZ-CE3 3.23Å; F412-W423 HydrophobicContact CZ-CH2 4.4Å; F412-W423 AromaticContact CZ-CZ3 3.29Å; F412-W423 HydrophobicContact CZ-CZ3 3.29Å; P414-W423 HydrophobicContact CB-CE3 4.48Å; P414-W423 HydrophobicContact CB-CH2 4.4Å; P414-W423 HydrophobicContact CB-CZ3 3.89Å; P414-W423 HydrophobicContact CG-CZ3 4.06Å; P415-W423 HydrophobicContact CG-CD2 4.28Å; P415-W423 HydrophobicContact CG-CG 4.34Å
424R97.7Very high95.6Very high47 Ų4722.7 Ų22.718%0.17712%0.124CC..EExtended strand (participates in β ladder)trans-125.9159.7-175.7-69.3165.4-62.81634.8111.3T254 F255 Q256 K413 P414 I421 G422T254-R424 HydrophobicContact CG2-CB 3.98Å; T254-R424 HydrophobicContact CG2-CG 4.25Å; F255-R424 CarbonylContact O-C 3.48Å; F255-R424 WeakPolarHBondContact O-CA 3.36Å; F255-R424 WeakPolarHBondContact O-CB 3.18Å; Q256-R424 HydrophobicContact CB-CG 3.93Å; Q256-R424 HydrophobicContact CG-CG 4.32Å; K413-R424 HydrophobicContact CB-CB 3.98Å; K413-R424 PolarHBondContact N-O 3.3Å; K413-R424 PolarHBondContact O-N 2.83Å; P414-R424 PolarHBondContact O-NH2 3.18Å; I421-R424 HydrophobicContact CG2-CG 4.4Å; G422-R424 PolarHBondContact O-N 2.95Å
425V98.2Very high95.7Very high0 Ų023.3 Ų23.30%013%0.128CC..EExtended strand (participates in β ladder)trans-133.9145.6169.6-79.50000108.9T254 F255 A263 L266 Y267 R411 F412T254-V425 WeakPolarHBondContact CA-O 3.42Å; F255-V425 HydrophobicContact CD2-CB 4.47Å; F255-V425 HydrophobicContact CD2-CG2 3.31Å; F255-V425 HydrophobicContact CE2-CB 4.03Å; F255-V425 HydrophobicContact CE2-CG2 3.12Å; F255-V425 HydrophobicContact CG-CG2 4.39Å; F255-V425 HydrophobicContact CZ-CG2 4.08Å; F255-V425 PolarHBondContact N-O 3.23Å; F255-V425 PolarHBondContact O-N 3.45Å; A263-V425 HydrophobicContact CB-CG1 4.36Å; A263-V425 VanDerWaalsContact O-CG1 3.29Å; A263-V425 WeakPolarHBondContact O-CG1 3.34Å; L266-V425 HydrophobicContact CB-CG2 4.14Å; Y267-V425 HydrophobicContact CD2-CG1 4.23Å; R411-V425 CarbonylContact O-C 3.55Å; R411-V425 VanDerWaalsContact O-CA 3.26Å; R411-V425 WeakPolarHBondContact O-CA 3.23Å; F412-V425 HydrophobicContact CD2-CG1 4.24Å
426E98.8Very high95.9Very high0 Ų023.7 Ų23.70%013%0.13CC..EExtended strand (participates in β ladder)trans-128.7125.4-173.4176.1-177.4-92.600109.6V253 T254 M410 R411 K413 R428V253-E426 WeakPolarHBondContact O-CA 3.49Å; T254-E426 WeakPolarHBondContact OG1-CB 3.15Å; T254-E426 VanDerWaalsContact OG1-CG 3.32Å; T254-E426 WeakPolarHBondContact OG1-CG 3.28Å; T254-E426 PolarHBondContact OG1-OE1 3.47Å; T254-E426 VanDerWaalsContact OG1-OE1 3.13Å; M410-E426 CarbonylContact C-O 3.44Å; M410-E426 WeakPolarHBondContact CA-O 3.36Å; R411-E426 HydrophobicContact CB-CB 4.22Å; R411-E426 IonicContact CZ-OE2 2.78Å; R411-E426 PolarHBondContact N-O 3.23Å; R411-E426 IonicContact NE-OE2 3.63Å; R411-E426 IonicContact NH1-OE2 3.66Å; R411-E426 PolarHBondContact NH1-OE2 2.99Å; R411-E426 PolarHBondContact O-N 3.26Å; K413-E426 HydrophobicContact CD-CB 3.85Å; K413-E426 IonicContact NZ-OE1 3.75Å; K413-E426 PolarHBondContact NZ-OE1 3.08Å; K413-E426 IonicContact NZ-OE2 3.94Å; E426-R428 HydrophobicContact CB-CG 4.47Å; E426-R428 HydrophobicContact CG-CG 3.65Å; E426-R428 WeakPolarHBondContact OE2-CD 3.21Å; E426-R428 IonicContact OE2-CZ 3.52Å; E426-R428 IonicContact OE2-NE 2.83Å; E426-R428 IonicContact OE2-NH1 3.63Å; E426-R428 PolarHBondContact OE2-NH1 3.27Å
427F98.8Very high96.2Very high1 Ų122.6 Ų22.60%0.00412%0.12CC..EExtended strand (participates in β ladder)trans-97.7115.4178.7-170.1-87.8000108.9Q252 V253 F255 L270 F273 V277 M410 P429 M430 V446Q252-F427 WeakPolarHBondContact CA-O 3.37Å; V253-F427 HydrophobicContact CG1-CB 3.83Å; V253-F427 PolarHBondContact N-O 2.94Å; V253-F427 VanDerWaalsContact N-O 3.08Å; V253-F427 PolarHBondContact O-N 3.35Å; F255-F427 HydrophobicContact CE1-CB 4.18Å; F255-F427 HydrophobicContact CZ-CB 4.3Å; L270-F427 HydrophobicContact CB-CD2 4.09Å; L270-F427 HydrophobicContact CB-CE2 4.35Å; F273-F427 HydrophobicContact CB-CE2 4.28Å; V277-F427 HydrophobicContact CB-CE1 4.02Å; V277-F427 HydrophobicContact CB-CZ 3.89Å; V277-F427 HydrophobicContact CG1-CE1 4.12Å; V277-F427 HydrophobicContact CG1-CZ 4.46Å; V277-F427 HydrophobicContact CG2-CE1 4.34Å; V277-F427 HydrophobicContact CG2-CZ 3.9Å; M410-F427 HydrophobicContact CE-CB 4.33Å; M410-F427 HydrophobicContact CE-CD2 4.21Å; M410-F427 HydrophobicContact SD-CB 4.1Å; M410-F427 HydrophobicContact SD-CD2 3.38Å; M410-F427 WeakPolarHBondContact SD-CD2 3.46Å; M410-F427 HydrophobicContact SD-CE2 4.13Å; M410-F427 HydrophobicContact SD-CG 4.08Å; F427-P429 HydrophobicContact CD1-CG 4.04Å; F427-P429 HydrophobicContact CE1-CG 3.49Å; F427-P429 VanDerWaalsContact CE1-CG 3.49Å; F427-P429 HydrophobicContact CE2-CG 4.36Å; F427-P429 HydrophobicContact CZ-CG 3.67Å; F427-M430 HydrophobicContact CD1-CE 4.09Å; F427-M430 HydrophobicContact CD1-CG 3.99Å; F427-M430 HydrophobicContact CD1-SD 4.21Å; F427-M430 HydrophobicContact CE1-CG 3.67Å; F427-M430 HydrophobicContact CE1-SD 4.1Å; F427-V446 HydrophobicContact CB-CG1 4.37Å; F427-V446 HydrophobicContact CD1-CG1 4.37Å; F427-V446 HydrophobicContact CD1-CG2 4.21Å; F427-V446 HydrophobicContact CD2-CG1 4.42Å; F427-V446 HydrophobicContact CE1-CG2 4.11Å; F427-V446 HydrophobicContact CG-CG1 4.16Å
428R98.8Very high96.5Very high13 Ų1321 Ų215%0.04911%0.11CC..EExtended strand (participates in β ladder)trans-117.3-8.3-163.7-55.716955.366.721117.9R297 Q408 T409 R411 E426 M430R297-R428 PolarHBondContact NH2-O 3.37Å; Q408-R428 WeakPolarHBondContact O-CD 3.22Å; Q408-R428 PolarHBondContact O-NE 2.76Å; Q408-R428 VanDerWaalsContact O-NE 3.08Å; T409-R428 WeakPolarHBondContact O-CB 3.29Å; T409-R428 PolarHBondContact O-N 3.25Å; R411-R428 VanDerWaalsContact NH1-NH1 3.11Å; E426-R428 HydrophobicContact CB-CG 4.47Å; E426-R428 HydrophobicContact CG-CG 3.65Å; E426-R428 WeakPolarHBondContact OE2-CD 3.21Å; E426-R428 IonicContact OE2-CZ 3.52Å; E426-R428 IonicContact OE2-NE 2.83Å; E426-R428 IonicContact OE2-NH1 3.63Å; E426-R428 PolarHBondContact OE2-NH1 3.27Å; R428-M430 VanDerWaalsContact C-N 3.34Å; R428-M430 PolarHBondContact O-N 2.78Å
429P98.3Very high97Very high0 Ų015 Ų150%08%0.078CC..EExtended strand (participates in β ladder)trans-82.6-6.9-169.135.6-38.7000114.2C274 M278 W298 T409 F427C274-P429 HydrophobicContact CB-CB 4.23Å; C274-P429 HydrophobicContact CB-CG 3.75Å; M278-P429 HydrophobicContact CB-CB 4.29Å; W298-P429 HydrophobicContact CE3-CB 4.4Å; W298-P429 HydrophobicContact CZ3-CB 4.25Å; T409-P429 HydrophobicContact CG2-CB 4.29Å; T409-P429 WeakPolarHBondContact O-CD 3.31Å; F427-P429 HydrophobicContact CD1-CG 4.04Å; F427-P429 HydrophobicContact CE1-CG 3.49Å; F427-P429 VanDerWaalsContact CE1-CG 3.49Å; F427-P429 HydrophobicContact CE2-CG 4.36Å; F427-P429 HydrophobicContact CZ-CG 3.67Å
430M98.6Very high97.5Very high0 Ų013 Ų130%06%0.064CC..EExtended strand (participates in β ladder)trans-70.8139-172.8-54-174.1-75.900111.2C250 L251 V253 V277 R297 F427 R428 Y442 V446C250-M430 WeakPolarHBondContact CB-O 3.07Å; L251-M430 HydrophobicContact CB-CB 4.11Å; L251-M430 HydrophobicContact CB-CE 4.41Å; L251-M430 HydrophobicContact CD2-CB 4.49Å; L251-M430 HydrophobicContact CD2-CE 3.82Å; L251-M430 HydrophobicContact CD2-SD 4.13Å; L251-M430 HydrophobicContact CG-CE 3.75Å; L251-M430 PolarHBondContact N-O 3.11Å; L251-M430 WeakPolarHBondContact O-CB 3.27Å; V253-M430 HydrophobicContact CG1-CE 3.93Å; V277-M430 HydrophobicContact CG1-CG 3.71Å; V277-M430 HydrophobicContact CG1-SD 3.79Å; R297-M430 PolarHBondContact NH1-O 2.74Å; R297-M430 PolarHBondContact NH2-O 2.89Å; F427-M430 HydrophobicContact CD1-CE 4.09Å; F427-M430 HydrophobicContact CD1-CG 3.99Å; F427-M430 HydrophobicContact CD1-SD 4.21Å; F427-M430 HydrophobicContact CE1-CG 3.67Å; F427-M430 HydrophobicContact CE1-SD 4.1Å; R428-M430 VanDerWaalsContact C-N 3.34Å; R428-M430 PolarHBondContact O-N 2.78Å; M430-Y442 HydrophobicContact SD-CG 4.46Å; M430-V446 HydrophobicContact SD-CG2 4.09Å
431E98.8Very high97.9Very high0 Ų08 Ų80%04%0.037CC..EExtended strand (participates in β ladder)trans-75.6143.2167.1-57.3-85.595.800108.7T145 S281 A283 S284 C296 R297 Q433T145-E431 WeakPolarHBondContact CG2-OE2 3.49Å; T145-E431 WeakPolarHBondContact OG1-CB 3.2Å; S281-E431 VanDerWaalsContact O-CB 3.3Å; S281-E431 WeakPolarHBondContact O-CB 3.36Å; S281-E431 PolarHBondContact OG-N 3.17Å; A283-E431 HydrophobicContact CB-CB 3.83Å; A283-E431 HydrophobicContact CB-CG 4.47Å; A283-E431 PolarHBondContact N-OE2 3.24Å; S284-E431 VanDerWaalsContact CB-OE2 3.32Å; S284-E431 WeakPolarHBondContact CB-OE2 3.42Å; S284-E431 PolarHBondContact N-OE2 2.87Å; S284-E431 PolarHBondContact OG-OE2 2.7Å; C296-E431 WeakPolarHBondContact CA-OE2 3.37Å; R297-E431 WeakPolarHBondContact CB-OE1 3.28Å; R297-E431 WeakPolarHBondContact CD-OE1 3.39Å; R297-E431 WeakPolarHBondContact CG-OE1 3.35Å; R297-E431 IonicContact CZ-OE1 3.37Å; R297-E431 PolarHBondContact N-OE1 3.04Å; R297-E431 PolarHBondContact N-OE2 3.07Å; R297-E431 IonicContact NE-OE1 3.24Å; R297-E431 IonicContact NH1-OE1 2.77Å; R297-E431 PolarHBondContact NH1-OE1 3.46Å; E431-Q433 PolarHBondContact O-NE2 2.98Å
432V98.8Very high98.2Very high0 Ų05.4 Ų5.40%02%0.024CC..PPolyproline II helixtrans-72.7141.1173.174.50000110V51 T143 T145 C249V51-V432 HydrophobicContact CG1-CG2 3.94Å; T143-V432 HydrophobicContact CG2-CG2 4.25Å; T145-V432 PolarHBondContact OG1-N 3.23Å; T145-V432 PolarHBondContact OG1-O 3.34Å; T145-V432 VanDerWaalsContact OG1-O 3.1Å; C249-V432 HydrophobicContact CB-CB 4.37Å; C249-V432 HydrophobicContact CB-CG1 3.51Å
433Q98.6Very high98.3Very high0 Ų05.4 Ų5.40%02%0.024CC..PPolyproline II helixtrans-101.1161.4-177.7-49.8-60.3-71.500112.1T143 S281 E431 T435 E438 N439 Y442T143-Q433 VanDerWaalsContact CB-O 3.22Å; T143-Q433 WeakPolarHBondContact CB-O 3.41Å; T143-Q433 CarbonylContact O-C 3.32Å; T143-Q433 VanDerWaalsContact O-O 3.1Å; T143-Q433 PolarHBondContact OG1-O 2.94Å; T143-Q433 VanDerWaalsContact OG1-O 3.08Å; S281-Q433 PolarHBondContact O-NE2 3.3Å; E431-Q433 PolarHBondContact O-NE2 2.98Å; Q433-T435 PolarHBondContact O-N 2.95Å; Q433-E438 HydrophobicContact CB-CB 3.47Å; Q433-E438 VanDerWaalsContact CB-CB 3.47Å; Q433-E438 HydrophobicContact CB-CG 4.45Å; Q433-E438 HydrophobicContact CG-CB 3.91Å; Q433-N439 WeakPolarHBondContact CB-OD1 3.27Å; Q433-N439 PolarHBondContact N-OD1 3.39Å; Q433-N439 PolarHBondContact O-ND2 3.4Å; Q433-Y442 HydrophobicContact CG-CD2 3.72Å; Q433-Y442 HydrophobicContact CG-CE2 3.62Å
434L97.6Very high98.4Very high3 Ų35.4 Ų5.42%0.0162%0.024CC..SBendtrans-65.4-40.7-174.3-178.659.1000113.2T143 M576 C608 I611 A612 L621T143-L434 WeakPolarHBondContact O-CA 3.49Å; T143-L434 PolarHBondContact OG1-O 3.43Å; L434-M576 HydrophobicContact CB-CE 4.31Å; L434-M576 HydrophobicContact CB-SD 4.24Å; L434-M576 HydrophobicContact CD2-CE 4.02Å; L434-M576 HydrophobicContact CD2-SD 4.37Å; L434-C608 HydrophobicContact CD1-CB 3.72Å; L434-C608 HydrophobicContact CD2-CB 4.33Å; L434-I611 HydrophobicContact CD2-CB 3.92Å; L434-I611 HydrophobicContact CD2-CD1 4.29Å; L434-I611 HydrophobicContact CD2-CG2 3.6Å; L434-I611 HydrophobicContact CG-CG2 4.34Å; L434-A612 HydrophobicContact CD1-CB 4.19Å; L434-L621 HydrophobicContact CD2-CD1 4.23Å
435T97.7Very high98.4Very high16 Ų163.2 Ų3.210%0.0982%0.016CC..SBendtrans-111154.4-176.368.20000113.1Q433 F437 E438 N439 I611 F622Q433-T435 PolarHBondContact O-N 2.95Å; T435-F437 PolarHBondContact O-N 2.94Å; T435-E438 VanDerWaalsContact CB-OE2 3.3Å; T435-E438 WeakPolarHBondContact CB-OE2 3.19Å; T435-E438 VanDerWaalsContact CG2-OE2 3.32Å; T435-E438 WeakPolarHBondContact CG2-OE2 3.36Å; T435-E438 PolarHBondContact N-OE2 2.83Å; T435-E438 PolarHBondContact O-N 3.03Å; T435-E438 VanDerWaalsContact OG1-CG 3.25Å; T435-E438 WeakPolarHBondContact OG1-CG 3.3Å; T435-E438 PolarHBondContact OG1-N 2.95Å; T435-E438 PolarHBondContact OG1-OE2 3.22Å; T435-N439 PolarHBondContact O-N 3.25Å; T435-N439 VanDerWaalsContact O-N 3.1Å; T435-N439 PolarHBondContact O-ND2 2.9Å; T435-I611 HydrophobicContact CG2-CG2 4.15Å; T435-F622 HydrophobicContact CG2-CD1 4.22Å; T435-F622 HydrophobicContact CG2-CE1 3.84Å
436D97.9Very high98.4Very high13 Ų133.2 Ų3.27%0.072%0.016CC..Hα-helixtrans-62.4-31.2174.7-58.1-28.3000111.5E121 M124 R125 R128 A440E121-D436 HydrophobicContact CG-CB 4.33Å; M124-D436 HydrophobicContact CB-CB 3.84Å; R125-D436 WeakPolarHBondContact CA-OD2 3.46Å; R128-D436 IonicContact CZ-OD1 2.76Å; R128-D436 VanDerWaalsContact CZ-OD1 3.31Å; R128-D436 IonicContact NE-OD1 3.79Å; R128-D436 PolarHBondContact NE-OD1 2.89Å; R128-D436 IonicContact NE-OD2 3.74Å; R128-D436 PolarHBondContact NE-OD2 2.96Å; R128-D436 VanDerWaalsContact NE-OD2 3.09Å; R128-D436 IonicContact NH2-OD1 3.78Å; R128-D436 PolarHBondContact NH2-OD1 2.9Å; D436-A440 WeakPolarHBondContact O-CB 3.49Å; D436-A440 PolarHBondContact O-N 3.37Å
437F97.9Very high98.4Very high20 Ų203.3 Ų3.39%0.0882%0.016CC..Hα-helixtrans-60.9-49.1173.4169.7-97.7000112T435 A441 N560 Y561 L564 F622 P625T435-F437 PolarHBondContact O-N 2.94Å; F437-A441 WeakPolarHBondContact O-CB 3.42Å; F437-A441 PolarHBondContact O-N 3.29Å; F437-N560 HydrophobicContact CE2-CB 4.48Å; F437-Y561 AromaticContact CD2-CD1 3.95Å; F437-Y561 HydrophobicContact CD2-CD1 3.95Å; F437-Y561 AromaticContact CD2-CE1 3.53Å; F437-Y561 HydrophobicContact CD2-CE1 3.53Å; F437-Y561 AromaticContact CE2-CD1 3.55Å; F437-Y561 HydrophobicContact CE2-CD1 3.55Å; F437-Y561 AromaticContact CE2-CE1 3.57Å; F437-Y561 HydrophobicContact CE2-CE1 3.57Å; F437-Y561 HydrophobicContact CG-CE1 4.46Å; F437-Y561 HydrophobicContact CZ-CD1 4.14Å; F437-L564 HydrophobicContact CD1-CD2 4.45Å; F437-L564 HydrophobicContact CE1-CB 4.28Å; F437-L564 HydrophobicContact CE1-CD1 4.31Å; F437-L564 HydrophobicContact CE1-CD2 3.99Å; F437-L564 HydrophobicContact CE1-CG 4.43Å; F437-L564 HydrophobicContact CZ-CB 4.49Å; F437-F622 HydrophobicContact CD1-CB 4.08Å; F437-F622 HydrophobicContact CE1-CB 4.07Å; F437-P625 HydrophobicContact CD2-CB 4.23Å; F437-P625 HydrophobicContact CE1-CB 4.23Å; F437-P625 HydrophobicContact CE1-CG 4.46Å; F437-P625 HydrophobicContact CE2-CB 3.81Å; F437-P625 HydrophobicContact CZ-CB 3.82Å
438E98.4Very high98.3Very high0 Ų03.2 Ų3.20%02%0.016CC..Hα-helixtrans-65.5-43.9179.7-68.1162.389.900111.5Q433 T435 A441 Y442 L564 R568 F622Q433-E438 HydrophobicContact CB-CB 3.47Å; Q433-E438 VanDerWaalsContact CB-CB 3.47Å; Q433-E438 HydrophobicContact CB-CG 4.45Å; Q433-E438 HydrophobicContact CG-CB 3.91Å; T435-E438 VanDerWaalsContact CB-OE2 3.3Å; T435-E438 WeakPolarHBondContact CB-OE2 3.19Å; T435-E438 VanDerWaalsContact CG2-OE2 3.32Å; T435-E438 WeakPolarHBondContact CG2-OE2 3.36Å; T435-E438 PolarHBondContact N-OE2 2.83Å; T435-E438 PolarHBondContact O-N 3.03Å; T435-E438 VanDerWaalsContact OG1-CG 3.25Å; T435-E438 WeakPolarHBondContact OG1-CG 3.3Å; T435-E438 PolarHBondContact OG1-N 2.95Å; T435-E438 PolarHBondContact OG1-OE2 3.22Å; E438-A441 WeakPolarHBondContact O-CB 3.36Å; E438-A441 PolarHBondContact O-N 3.31Å; E438-Y442 VanDerWaalsContact O-CD2 3.22Å; E438-Y442 WeakPolarHBondContact O-CD2 3.23Å; E438-Y442 PolarHBondContact O-N 2.86Å; E438-L564 HydrophobicContact CB-CD2 4.14Å; E438-L564 HydrophobicContact CG-CD2 3.97Å; E438-R568 IonicContact OE1-CZ 3.89Å; E438-R568 IonicContact OE1-NH1 3.53Å; E438-R568 IonicContact OE1-NH2 3.5Å; E438-R568 PolarHBondContact OE1-NH2 2.85Å; E438-F622 HydrophobicContact CG-CB 4.21Å
439N98.7Very high98.2Very high0 Ų02.8 Ų2.80%01%0.014CC..Hα-helixtrans-62.4-46.9177.6-71.2-54.2000111.2M124 L251 Q433 T435 A441 Y442 V443M124-N439 HydrophobicContact CE-CB 3.94Å; M124-N439 HydrophobicContact SD-CB 3.65Å; L251-N439 HydrophobicContact CD1-CB 4.34Å; L251-N439 HydrophobicContact CD2-CB 4.29Å; Q433-N439 WeakPolarHBondContact CB-OD1 3.27Å; Q433-N439 PolarHBondContact N-OD1 3.39Å; Q433-N439 PolarHBondContact O-ND2 3.4Å; T435-N439 PolarHBondContact O-N 3.25Å; T435-N439 VanDerWaalsContact O-N 3.1Å; T435-N439 PolarHBondContact O-ND2 2.9Å; N439-A441 VanDerWaalsContact C-N 3.28Å; N439-A441 PolarHBondContact O-N 3.04Å; N439-Y442 PolarHBondContact O-N 3.44Å; N439-V443 WeakPolarHBondContact O-CG2 3.12Å; N439-V443 PolarHBondContact O-N 2.62Å; N439-V443 VanDerWaalsContact O-N 3.11Å
440A98.6Very high98.1Very high0 Ų02.9 Ų2.90%02%0.015CC..Hα-helixtrans-59-40.6175.100000111.5V120 E121 M124 D436 Y442 V443 V444 Y561V120-A440 HydrophobicContact CB-CB 4.29Å; V120-A440 HydrophobicContact CG1-CB 3.91Å; E121-A440 HydrophobicContact CB-CB 3.74Å; E121-A440 HydrophobicContact CG-CB 4.45Å; M124-A440 HydrophobicContact SD-CB 4.07Å; D436-A440 WeakPolarHBondContact O-CB 3.49Å; D436-A440 PolarHBondContact O-N 3.37Å; A440-Y442 PolarHBondContact O-N 3.25Å; A440-V443 PolarHBondContact O-N 2.96Å; A440-V444 WeakPolarHBondContact O-CB 3.34Å; A440-V444 VanDerWaalsContact O-CG2 3.28Å; A440-V444 WeakPolarHBondContact O-CG2 3.47Å; A440-V444 PolarHBondContact O-N 3.35Å; A440-Y561 HydrophobicContact CB-CE1 4.22Å; A440-Y561 HydrophobicContact CB-CE2 4.48Å
441A98.6Very high97.8Very high0 Ų04.8 Ų4.80%02%0.022CC..Hα-helixtrans-59.9-42.5179.500000113.3F437 E438 N439 F445 Y561 L564F437-A441 WeakPolarHBondContact O-CB 3.42Å; F437-A441 PolarHBondContact O-N 3.29Å; E438-A441 WeakPolarHBondContact O-CB 3.36Å; E438-A441 PolarHBondContact O-N 3.31Å; N439-A441 VanDerWaalsContact C-N 3.28Å; N439-A441 PolarHBondContact O-N 3.04Å; A441-F445 VanDerWaalsContact O-CB 3.25Å; A441-F445 WeakPolarHBondContact O-CB 3.37Å; A441-F445 PolarHBondContact O-N 3.04Å; A441-Y561 HydrophobicContact CB-CD1 3.62Å; A441-Y561 HydrophobicContact CB-CG 3.87Å; A441-L564 HydrophobicContact CB-CB 4.49Å; A441-L564 HydrophobicContact CB-CD2 3.64Å
442Y98.8Very high97.6Very high0 Ų04.9 Ų4.90%02%0.023CC..Hα-helixtrans-68.5-42.8175.8-76.8-70.7000112.6V277 L280 M430 Q433 E438 N439 A440 F445 V446 I565 R568V277-Y442 HydrophobicContact CG1-CD1 4Å; V277-Y442 HydrophobicContact CG1-CE1 4.44Å; L280-Y442 VanDerWaalsContact C-OH 3.31Å; L280-Y442 HydrophobicContact CB-CE1 3.97Å; L280-Y442 PolarHBondContact O-OH 3.37Å; M430-Y442 HydrophobicContact SD-CG 4.46Å; Q433-Y442 HydrophobicContact CG-CD2 3.72Å; Q433-Y442 HydrophobicContact CG-CE2 3.62Å; E438-Y442 VanDerWaalsContact O-CD2 3.22Å; E438-Y442 WeakPolarHBondContact O-CD2 3.23Å; E438-Y442 PolarHBondContact O-N 2.86Å; N439-Y442 PolarHBondContact O-N 3.44Å; A440-Y442 PolarHBondContact O-N 3.25Å; Y442-F445 PolarHBondContact O-N 2.97Å; Y442-V446 WeakPolarHBondContact O-CG2 3.12Å; Y442-V446 PolarHBondContact O-N 2.76Å; Y442-I565 HydrophobicContact CD1-CD1 3.62Å; Y442-I565 HydrophobicContact CE1-CD1 3.52Å; Y442-I565 HydrophobicContact CG-CD1 4.22Å; Y442-R568 VanDerWaalsContact OH-CD 3.23Å; Y442-R568 WeakPolarHBondContact OH-CD 3.48Å; Y442-R568 PolarHBondContact OH-NH1 3.31Å
443V98.6Very high97.5Very high0 Ų04.9 Ų4.90%02%0.023CC..Hα-helixtrans-58.9-51176.3172.40000110.4W47 D49 V120 M124 L251 V253 N439 A440 F445 V446 V447W47-V443 HydrophobicContact CE3-CG1 4.13Å; W47-V443 HydrophobicContact CH2-CG1 4.26Å; W47-V443 HydrophobicContact CZ3-CG1 3.39Å; D49-V443 HydrophobicContact CB-CG1 4.16Å; D49-V443 HydrophobicContact CB-CG2 3.72Å; V120-V443 HydrophobicContact CG1-CB 4.41Å; V120-V443 HydrophobicContact CG1-CG1 4.18Å; M124-V443 HydrophobicContact CE-CG2 3.89Å; L251-V443 HydrophobicContact CD1-CG2 3.84Å; L251-V443 HydrophobicContact CD2-CG2 4.02Å; L251-V443 HydrophobicContact CG-CG2 4.17Å; V253-V443 HydrophobicContact CG2-CG1 4.17Å; N439-V443 WeakPolarHBondContact O-CG2 3.12Å; N439-V443 PolarHBondContact O-N 2.62Å; N439-V443 VanDerWaalsContact O-N 3.11Å; A440-V443 PolarHBondContact O-N 2.96Å; V443-F445 VanDerWaalsContact C-N 3.31Å; V443-F445 PolarHBondContact O-N 2.71Å; V443-V446 PolarHBondContact O-N 2.83Å; V443-V447 HydrophobicContact CG1-CG2 4.45Å; V443-V447 VanDerWaalsContact O-CG2 3.31Å; V443-V447 WeakPolarHBondContact O-CG2 3.23Å; V443-V447 PolarHBondContact O-N 3.48Å
444V98.3Very high97.2Very high0 Ų07.4 Ų7.40%04%0.036CC..Hα-helixtrans-61-40.7178.5170.90000111.2F117 V120 A440 V447 L448 I558 Y561F117-V444 HydrophobicContact CD1-CB 4.06Å; F117-V444 HydrophobicContact CD1-CG1 3.56Å; F117-V444 HydrophobicContact CD1-CG2 3.75Å; F117-V444 HydrophobicContact CE1-CB 4.44Å; F117-V444 HydrophobicContact CE1-CG1 3.93Å; F117-V444 HydrophobicContact CE1-CG2 4.5Å; F117-V444 HydrophobicContact CG-CG1 4.21Å; V120-V444 HydrophobicContact CG2-CG2 4.12Å; A440-V444 WeakPolarHBondContact O-CB 3.34Å; A440-V444 VanDerWaalsContact O-CG2 3.28Å; A440-V444 WeakPolarHBondContact O-CG2 3.47Å; A440-V444 PolarHBondContact O-N 3.35Å; V444-V447 PolarHBondContact O-N 3.47Å; V444-L448 WeakPolarHBondContact O-CB 3.35Å; V444-L448 PolarHBondContact O-N 3.27Å; V444-I558 HydrophobicContact CG1-CG1 4.34Å; V444-Y561 HydrophobicContact CB-CD2 3.91Å; V444-Y561 HydrophobicContact CB-CE2 4.48Å; V444-Y561 HydrophobicContact CG1-CD2 3.99Å; V444-Y561 HydrophobicContact CG2-CD2 3.78Å; V444-Y561 HydrophobicContact CG2-CE2 3.85Å
445F98.6Very high96.9Very high1 Ų110.3 Ų10.30%0.0046%0.056CC..Hα-helixtrans-59.9-49176.8173.8-105.9000112.1V277 A441 Y442 V443 L448 L449 I527 L537 I538 L541 L562 I565V277-F445 HydrophobicContact CG2-CE1 4.14Å; A441-F445 VanDerWaalsContact O-CB 3.25Å; A441-F445 WeakPolarHBondContact O-CB 3.37Å; A441-F445 PolarHBondContact O-N 3.04Å; Y442-F445 PolarHBondContact O-N 2.97Å; V443-F445 VanDerWaalsContact C-N 3.31Å; V443-F445 PolarHBondContact O-N 2.71Å; F445-L448 PolarHBondContact O-N 2.87Å; F445-L449 VanDerWaalsContact O-CB 3.27Å; F445-L449 WeakPolarHBondContact O-CB 3.19Å; F445-L449 PolarHBondContact O-N 3.14Å; F445-I527 HydrophobicContact CZ-CD1 3.85Å; F445-L537 HydrophobicContact CZ-CD1 4.4Å; F445-I538 HydrophobicContact CE2-CD1 4.41Å; F445-L541 HydrophobicContact CD2-CD1 3.8Å; F445-L541 HydrophobicContact CE2-CD1 3.63Å; F445-L562 HydrophobicContact CD2-CD2 3.95Å; F445-I565 HydrophobicContact CB-CD1 4.49Å; F445-I565 HydrophobicContact CB-CG1 4.15Å; F445-I565 HydrophobicContact CD2-CG1 4.33Å; F445-I565 HydrophobicContact CD2-CG2 4.2Å; F445-I565 HydrophobicContact CE2-CG2 4.15Å; F445-I565 HydrophobicContact CG-CG1 4.19Å; F445-I565 HydrophobicContact CG-CG2 4.45Å; F445-I565 HydrophobicContact CZ-CG2 4.36Å
446V98.4Very high96.7Very high1 Ų112.9 Ų12.91%0.0067%0.065CC..Hα-helixtrans-64.3-44.4179.8173.70000111V253 F255 F427 M430 Y442 V443 L449 T450V253-V446 HydrophobicContact CG1-CB 4.26Å; V253-V446 HydrophobicContact CG1-CG1 3.84Å; F255-V446 HydrophobicContact CE1-CG1 4.35Å; F427-V446 HydrophobicContact CB-CG1 4.37Å; F427-V446 HydrophobicContact CD1-CG1 4.37Å; F427-V446 HydrophobicContact CD1-CG2 4.21Å; F427-V446 HydrophobicContact CD2-CG1 4.42Å; F427-V446 HydrophobicContact CE1-CG2 4.11Å; F427-V446 HydrophobicContact CG-CG1 4.16Å; M430-V446 HydrophobicContact SD-CG2 4.09Å; Y442-V446 WeakPolarHBondContact O-CG2 3.12Å; Y442-V446 PolarHBondContact O-N 2.76Å; V443-V446 PolarHBondContact O-N 2.83Å; V446-L449 WeakPolarHBondContact O-CB 3.41Å; V446-L449 PolarHBondContact O-N 3.35Å; V446-T450 VanDerWaalsContact O-CG2 3.3Å; V446-T450 WeakPolarHBondContact O-CG2 3.39Å; V446-T450 PolarHBondContact O-N 2.96Å
447V97.4Very high96.3Very high1 Ų117.6 Ų17.61%0.0069%0.085CC..Hα-helixtrans-67.4-39.2179.7175.20000111.7W47 F117 V253 V443 V444 L449 T450 R451W47-V447 HydrophobicContact CD2-CG1 4.05Å; W47-V447 HydrophobicContact CD2-CG2 3.83Å; W47-V447 HydrophobicContact CE3-CG2 3.58Å; W47-V447 HydrophobicContact CG-CG1 4.37Å; W47-V447 HydrophobicContact CG-CG2 4.39Å; W47-V447 HydrophobicContact CH2-CG2 4.32Å; W47-V447 HydrophobicContact CZ2-CG1 4.14Å; W47-V447 HydrophobicContact CZ3-CG2 3.88Å; F117-V447 HydrophobicContact CE1-CB 3.96Å; F117-V447 HydrophobicContact CE1-CG1 3.68Å; F117-V447 HydrophobicContact CZ-CB 4.45Å; F117-V447 HydrophobicContact CZ-CG1 3.85Å; V253-V447 HydrophobicContact CG2-CG2 4.02Å; V443-V447 HydrophobicContact CG1-CG2 4.45Å; V443-V447 VanDerWaalsContact O-CG2 3.31Å; V443-V447 WeakPolarHBondContact O-CG2 3.23Å; V443-V447 PolarHBondContact O-N 3.48Å; V444-V447 PolarHBondContact O-N 3.47Å; V447-L449 VanDerWaalsContact C-N 3.3Å; V447-L449 PolarHBondContact O-N 3.03Å; V447-T450 PolarHBondContact O-N 3.4Å; V447-T450 PolarHBondContact O-OG1 3.37Å; V447-R451 WeakPolarHBondContact O-CG 3.46Å; V447-R451 PolarHBondContact O-N 3.31Å
448L96.8Very high96Very high0 Ų016.7 Ų16.70%08%0.081CC..Hα-helixtrans-66.5-36.9175.1-171.765.7000111.2F117 V444 F445 R451 V452 L541 Y544 L545 I558 L562F117-L448 HydrophobicContact CE2-CD1 4.4Å; F117-L448 HydrophobicContact CZ-CB 4.39Å; F117-L448 HydrophobicContact CZ-CD1 4.35Å; V444-L448 WeakPolarHBondContact O-CB 3.35Å; V444-L448 PolarHBondContact O-N 3.27Å; F445-L448 PolarHBondContact O-N 2.87Å; L448-R451 WeakPolarHBondContact O-CB 3.47Å; L448-R451 PolarHBondContact O-N 3.35Å; L448-V452 WeakPolarHBondContact O-CG2 3.26Å; L448-V452 PolarHBondContact O-N 3.33Å; L448-L541 HydrophobicContact CB-CD2 4.4Å; L448-L541 HydrophobicContact CD2-CB 4.14Å; L448-L541 HydrophobicContact CD2-CD1 4.34Å; L448-L541 HydrophobicContact CD2-CD2 3.92Å; L448-L541 HydrophobicContact CD2-CG 4.35Å; L448-L541 HydrophobicContact CG-CD2 3.78Å; L448-Y544 HydrophobicContact CD1-CD1 3.94Å; L448-Y544 HydrophobicContact CD1-CE1 3.88Å; L448-L545 HydrophobicContact CD1-CD2 4.03Å; L448-L545 HydrophobicContact CD2-CD1 4.09Å; L448-L545 HydrophobicContact CD2-CD2 4.3Å; L448-L545 HydrophobicContact CD2-CG 4.31Å; L448-I558 HydrophobicContact CD2-CG2 3.98Å; L448-L562 HydrophobicContact CD2-CD1 4.29Å
449L96.9Very high95.7Very high3 Ų316.9 Ų16.92%0.0168%0.082CC..Hα-helixtrans-62-42.6175.4-179.965.1000111.8L270 F273 F445 V446 V447 R451 V452 I453 L537L270-L449 HydrophobicContact CD2-CD2 4.25Å; F273-L449 HydrophobicContact CD1-CD2 3.55Å; F273-L449 HydrophobicContact CD2-CD2 4.01Å; F273-L449 HydrophobicContact CE1-CD1 4.12Å; F273-L449 HydrophobicContact CE1-CD2 3.55Å; F273-L449 HydrophobicContact CE1-CG 4.43Å; F273-L449 HydrophobicContact CE2-CD2 4.02Å; F273-L449 HydrophobicContact CG-CD2 3.77Å; F273-L449 HydrophobicContact CZ-CD1 3.97Å; F273-L449 HydrophobicContact CZ-CD2 3.78Å; F273-L449 HydrophobicContact CZ-CG 4.32Å; F445-L449 VanDerWaalsContact O-CB 3.27Å; F445-L449 WeakPolarHBondContact O-CB 3.19Å; F445-L449 PolarHBondContact O-N 3.14Å; V446-L449 WeakPolarHBondContact O-CB 3.41Å; V446-L449 PolarHBondContact O-N 3.35Å; V447-L449 VanDerWaalsContact C-N 3.3Å; V447-L449 PolarHBondContact O-N 3.03Å; L449-R451 VanDerWaalsContact C-N 3.31Å; L449-R451 PolarHBondContact O-N 3.26Å; L449-V452 PolarHBondContact O-N 3.06Å; L449-I453 HydrophobicContact CD1-CD1 4.21Å; L449-I453 HydrophobicContact CD1-CG1 4.35Å; L449-I453 HydrophobicContact CG-CD1 3.83Å; L449-I453 HydrophobicContact CG-CG1 4.43Å; L449-I453 WeakPolarHBondContact O-CB 3.16Å; L449-I453 VanDerWaalsContact O-CG1 3.28Å; L449-I453 WeakPolarHBondContact O-CG1 3.25Å; L449-I453 PolarHBondContact O-N 3.3Å; L449-L537 HydrophobicContact CD1-CD2 4.26Å
450T95.6Very high95.6Very high2 Ų216.9 Ų16.91%0.0128%0.082CC..Hα-helixtrans-60.2-42.5175.771.10000111.5F255 L266 L270 V446 V447 V452 I453 L454F255-T450 HydrophobicContact CD2-CG2 4.26Å; F255-T450 HydrophobicContact CE1-CG2 4.48Å; F255-T450 HydrophobicContact CE2-CG2 4Å; F255-T450 HydrophobicContact CZ-CG2 4.2Å; L266-T450 HydrophobicContact CD2-CG2 4.43Å; L270-T450 HydrophobicContact CD1-CG2 3.7Å; L270-T450 HydrophobicContact CD2-CG2 4.17Å; L270-T450 HydrophobicContact CG-CG2 4.46Å; V446-T450 VanDerWaalsContact O-CG2 3.3Å; V446-T450 WeakPolarHBondContact O-CG2 3.39Å; V446-T450 PolarHBondContact O-N 2.96Å; V447-T450 PolarHBondContact O-N 3.4Å; V447-T450 PolarHBondContact O-OG1 3.37Å; T450-V452 VanDerWaalsContact C-N 3.33Å; T450-V452 PolarHBondContact O-N 3.37Å; T450-I453 PolarHBondContact O-N 3.07Å; T450-L454 WeakPolarHBondContact O-CG 3.38Å; T450-L454 PolarHBondContact O-N 2.99Å
451R94Very high95.5Very high40 Ų4016.9 Ų16.915%0.1518%0.082CC..Hα-helixtrans-61.5-42177.3-67.1178.767.5136.812112.1L45 G112 M114 V447 L448 L449 S455 Y544L45-R451 HydrophobicContact CD2-CG 4.34Å; G112-R451 PolarHBondContact O-NH1 3.36Å; M114-R451 VanDerWaalsContact SD-CZ 3.53Å; M114-R451 PolarHBondContact SD-NH1 3Å; M114-R451 VanDerWaalsContact SD-NH1 3.37Å; V447-R451 WeakPolarHBondContact O-CG 3.46Å; V447-R451 PolarHBondContact O-N 3.31Å; L448-R451 WeakPolarHBondContact O-CB 3.47Å; L448-R451 PolarHBondContact O-N 3.35Å; L449-R451 VanDerWaalsContact C-N 3.31Å; L449-R451 PolarHBondContact O-N 3.26Å; R451-S455 WeakPolarHBondContact O-CB 3.34Å; R451-S455 PolarHBondContact O-N 2.79Å; R451-S455 PolarHBondContact O-OG 2.85Å; R451-Y544 HydrophobicContact CB-CE1 4.12Å; R451-Y544 PolarHBondContact NE-OH 3.24Å
452V94.6Very high95.4Very high2 Ų216.9 Ų16.91%0.0128%0.082CC..Hα-helixtrans-69.8-43.1179169.20000111.6L448 L449 T450 L454 S455 Y456 L458 I540 L541 Y544L448-V452 WeakPolarHBondContact O-CG2 3.26Å; L448-V452 PolarHBondContact O-N 3.33Å; L449-V452 PolarHBondContact O-N 3.06Å; T450-V452 VanDerWaalsContact C-N 3.33Å; T450-V452 PolarHBondContact O-N 3.37Å; V452-L454 VanDerWaalsContact C-N 3.3Å; V452-L454 PolarHBondContact O-N 3.42Å; V452-S455 PolarHBondContact O-N 2.91Å; V452-Y456 HydrophobicContact CG1-CD2 3.88Å; V452-Y456 HydrophobicContact CG1-CE2 4.36Å; V452-Y456 WeakPolarHBondContact O-CB 3.32Å; V452-Y456 PolarHBondContact O-N 3.49Å; V452-L458 HydrophobicContact CG1-CD1 3.7Å; V452-I540 HydrophobicContact CG1-CG2 3.66Å; V452-L541 HydrophobicContact CB-CD2 4.03Å; V452-L541 HydrophobicContact CG1-CD2 4.45Å; V452-L541 HydrophobicContact CG2-CD2 3.51Å; V452-Y544 HydrophobicContact CG2-CD1 3.47Å; V452-Y544 VanDerWaalsContact CG2-CD1 3.47Å; V452-Y544 HydrophobicContact CG2-CD2 4.02Å; V452-Y544 HydrophobicContact CG2-CE1 4.08Å; V452-Y544 HydrophobicContact CG2-CG 3.42Å; V452-Y544 VanDerWaalsContact CG2-CG 3.42Å
453I94.7Very high95.4Very high0 Ų017.7 Ų17.70%09%0.087CC..Hα-helixtrans-52.9-50.5174.2-74.7162.2000110.1Y265 L266 Q269 L270 F273 L449 T450 K457 L458 F460Y265-I453 HydrophobicContact CE1-CG2 3.73Å; L266-I453 HydrophobicContact CD2-CG2 4.4Å; Q269-I453 HydrophobicContact CB-CD1 4.21Å; Q269-I453 HydrophobicContact CB-CG2 4.17Å; Q269-I453 HydrophobicContact CG-CG2 3.99Å; L270-I453 HydrophobicContact CD2-CD1 4.01Å; F273-I453 HydrophobicContact CE2-CD1 4.16Å; L449-I453 HydrophobicContact CD1-CD1 4.21Å; L449-I453 HydrophobicContact CD1-CG1 4.35Å; L449-I453 HydrophobicContact CG-CD1 3.83Å; L449-I453 HydrophobicContact CG-CG1 4.43Å; L449-I453 WeakPolarHBondContact O-CB 3.16Å; L449-I453 VanDerWaalsContact O-CG1 3.28Å; L449-I453 WeakPolarHBondContact O-CG1 3.25Å; L449-I453 PolarHBondContact O-N 3.3Å; T450-I453 PolarHBondContact O-N 3.07Å; I453-K457 CarbonylContact O-C 3.51Å; I453-K457 WeakPolarHBondContact O-CA 3.45Å; I453-K457 PolarHBondContact O-N 3.05Å; I453-L458 PolarHBondContact O-N 3.02Å; I453-F460 HydrophobicContact CD1-CD2 4.38Å; I453-F460 HydrophobicContact CD1-CE2 4.3Å; I453-F460 HydrophobicContact CG1-CD2 4.1Å; I453-F460 HydrophobicContact CG1-CE2 3.7Å
454L92.8Very high95.4Very high54 Ų5417.7 Ų17.728%0.2839%0.087SC..Hα-helixtrans-70.1-42.6-178.7-65.2173.4000112.8E262 Y265 L266 T450 V452E262-L454 HydrophobicContact CG-CD1 4.14Å; E262-L454 HydrophobicContact CG-CD2 3.75Å; Y265-L454 HydrophobicContact CD1-CD2 3.93Å; Y265-L454 HydrophobicContact CE1-CD2 4.12Å; L266-L454 HydrophobicContact CD1-CD1 4.19Å; L266-L454 HydrophobicContact CD2-CD1 4.18Å; L266-L454 HydrophobicContact CD2-CD2 3.99Å; L266-L454 HydrophobicContact CD2-CG 3.93Å; L266-L454 HydrophobicContact CG-CD1 4.45Å; L266-L454 HydrophobicContact CG-CD2 4.22Å; T450-L454 WeakPolarHBondContact O-CG 3.38Å; T450-L454 PolarHBondContact O-N 2.99Å; V452-L454 VanDerWaalsContact C-N 3.3Å; V452-L454 PolarHBondContact O-N 3.42Å
455S92.2Very high95.4Very high63 Ų6319.6 Ų19.644%0.44110%0.1SC..Hα-helixtrans-68.9-39.5-175.3-58.90000112.3R451 V452 Y544R451-S455 WeakPolarHBondContact O-CB 3.34Å; R451-S455 PolarHBondContact O-N 2.79Å; R451-S455 PolarHBondContact O-OG 2.85Å; V452-S455 PolarHBondContact O-N 2.91Å; S455-Y544 VanDerWaalsContact OG-CE2 3.31Å; S455-Y544 WeakPolarHBondContact OG-CE2 2.79Å; S455-Y544 PolarHBondContact OG-OH 3.37Å
456Y92.1Very high95.4Very high71 Ų7121.5 Ų21.528%0.27811%0.109SC..Hα-helixtrans-100.4-1.2-178.4-64.4-17000113.4V452 L458 I540 Y544V452-Y456 HydrophobicContact CG1-CD2 3.88Å; V452-Y456 HydrophobicContact CG1-CE2 4.36Å; V452-Y456 WeakPolarHBondContact O-CB 3.32Å; V452-Y456 PolarHBondContact O-N 3.49Å; Y456-L458 VanDerWaalsContact C-N 3.28Å; Y456-L458 PolarHBondContact O-N 3.12Å; Y456-I540 HydrophobicContact CD2-CG2 4.11Å; Y456-I540 HydrophobicContact CE2-CG2 4.2Å; Y456-Y544 HydrophobicContact CE1-CD2 4.24Å; Y456-Y544 HydrophobicContact CE2-CD2 4.46Å; Y456-Y544 VanDerWaalsContact OH-CA 3.25Å; Y456-Y544 WeakPolarHBondContact OH-CA 3.44Å; Y456-Y544 PolarHBondContact OH-N 3.06Å
457K89.8Confident95.4Very high112 Ų11221.5 Ų21.549%0.48711%0.109SC..THydrogen-bonded Turntrans53.146.7-177.2-57.1-178.3168.7-162.60111.8I453 N496I453-K457 CarbonylContact O-C 3.51Å; I453-K457 WeakPolarHBondContact O-CA 3.45Å; I453-K457 PolarHBondContact O-N 3.05Å; K457-N496 WeakPolarHBondContact CD-OD1 3.2Å; K457-N496 PolarHBondContact NZ-OD1 3.06Å
458L92.4Very high95.4Very high1 Ų122.7 Ų22.71%0.00512%0.115CC..  trans-73.5142-178.4-57.7-176.9000110.9Y265 V452 I453 Y456 F460 M491 F492 I540Y265-L458 PolarHBondContact OH-O 2.82Å; V452-L458 HydrophobicContact CG1-CD1 3.7Å; I453-L458 PolarHBondContact O-N 3.02Å; Y456-L458 VanDerWaalsContact C-N 3.28Å; Y456-L458 PolarHBondContact O-N 3.12Å; L458-F460 HydrophobicContact CB-CD2 4.18Å; L458-F460 HydrophobicContact CB-CE2 3.44Å; L458-F460 VanDerWaalsContact CB-CE2 3.44Å; L458-F460 HydrophobicContact CB-CZ 4.04Å; L458-F460 HydrophobicContact CD1-CE2 3.87Å; L458-F460 HydrophobicContact CD1-CZ 3.81Å; L458-F460 HydrophobicContact CG-CE2 4.31Å; L458-M491 WeakPolarHBondContact CA-O 3.47Å; L458-M491 HydrophobicContact CD2-CB 4.35Å; L458-F492 HydrophobicContact CD2-CD1 3.68Å; L458-F492 HydrophobicContact CD2-CE1 3.43Å; L458-F492 VanDerWaalsContact CD2-CE1 3.43Å; L458-F492 HydrophobicContact CD2-CG 4.42Å; L458-F492 HydrophobicContact CD2-CZ 3.99Å; L458-I540 HydrophobicContact CD1-CG2 4.22Å
459D92.9Very high95.5Very high3 Ų326.3 Ų26.32%0.01613%0.132CC..  trans-118.2121176179.222.5000111.2Q269 L461 R488 M491 G494Q269-D459 PolarHBondContact NE2-OD1 2.72Å; D459-L461 WeakPolarHBondContact OD1-CB 3.39Å; D459-L461 VanDerWaalsContact OD1-CG 3.24Å; D459-L461 WeakPolarHBondContact OD1-CG 3.38Å; D459-L461 PolarHBondContact OD1-N 3.29Å; D459-R488 WeakPolarHBondContact O-CG 3.2Å; D459-R488 IonicContact OD1-NH1 2.76Å; D459-R488 IonicContact OD2-CZ 3.04Å; D459-R488 VanDerWaalsContact OD2-CZ 3.28Å; D459-R488 IonicContact OD2-NH1 3.14Å; D459-R488 PolarHBondContact OD2-NH1 3.36Å; D459-R488 IonicContact OD2-NH2 3.28Å; D459-R488 PolarHBondContact OD2-NH2 3.38Å; D459-R488 VanDerWaalsContact OD2-NH2 3.14Å; D459-M491 PolarHBondContact N-O 3.44Å; D459-M491 WeakPolarHBondContact O-CA 3.37Å; D459-G494 VanDerWaalsContact OD2-CA 3.32Å; D459-G494 WeakPolarHBondContact OD2-CA 3.33Å
460F95.9Very high95.6Very high0 Ų026.1 Ų26.10%013%0.131CC..  trans-112.4-0.9-179.4-66-80.5000112.7T272 F273 I453 L458 I462 F487 M491 L537T272-F460 WeakPolarHBondContact CG2-O 3.5Å; T272-F460 WeakPolarHBondContact OG1-CB 3.48Å; F273-F460 HydrophobicContact CE1-CD1 4.44Å; F273-F460 HydrophobicContact CE1-CE1 4.35Å; F273-F460 HydrophobicContact CE2-CB 3.88Å; F273-F460 AromaticContact CE2-CD1 3.98Å; F273-F460 HydrophobicContact CE2-CD1 3.98Å; F273-F460 AromaticContact CE2-CD2 3.57Å; F273-F460 HydrophobicContact CE2-CD2 3.57Å; F273-F460 HydrophobicContact CE2-CE1 4.38Å; F273-F460 HydrophobicContact CE2-CE2 4.04Å; F273-F460 AromaticContact CE2-CG 3.52Å; F273-F460 HydrophobicContact CE2-CG 3.52Å; F273-F460 HydrophobicContact CE2-CZ 4.43Å; F273-F460 HydrophobicContact CZ-CB 4.3Å; F273-F460 AromaticContact CZ-CD1 3.51Å; F273-F460 HydrophobicContact CZ-CD1 3.51Å; F273-F460 AromaticContact CZ-CD2 3.65Å; F273-F460 HydrophobicContact CZ-CD2 3.65Å; F273-F460 AromaticContact CZ-CE1 3.55Å; F273-F460 HydrophobicContact CZ-CE1 3.55Å; F273-F460 AromaticContact CZ-CE2 3.72Å; F273-F460 HydrophobicContact CZ-CE2 3.72Å; F273-F460 AromaticContact CZ-CG 3.54Å; F273-F460 HydrophobicContact CZ-CG 3.54Å; F273-F460 AromaticContact CZ-CZ 3.67Å; F273-F460 HydrophobicContact CZ-CZ 3.67Å; I453-F460 HydrophobicContact CD1-CD2 4.38Å; I453-F460 HydrophobicContact CD1-CE2 4.3Å; I453-F460 HydrophobicContact CG1-CD2 4.1Å; I453-F460 HydrophobicContact CG1-CE2 3.7Å; L458-F460 HydrophobicContact CB-CD2 4.18Å; L458-F460 HydrophobicContact CB-CE2 3.44Å; L458-F460 VanDerWaalsContact CB-CE2 3.44Å; L458-F460 HydrophobicContact CB-CZ 4.04Å; L458-F460 HydrophobicContact CD1-CE2 3.87Å; L458-F460 HydrophobicContact CD1-CZ 3.81Å; L458-F460 HydrophobicContact CG-CE2 4.31Å; F460-I462 PolarHBondContact O-N 3.48Å; F460-F487 AromaticContact CD1-CE1 3.76Å; F460-F487 HydrophobicContact CD1-CE1 3.76Å; F460-F487 HydrophobicContact CD1-CE2 4.44Å; F460-F487 AromaticContact CD1-CZ 3.51Å; F460-F487 HydrophobicContact CD1-CZ 3.51Å; F460-F487 AromaticContact CE1-CE1 3.89Å; F460-F487 HydrophobicContact CE1-CE1 3.89Å; F460-F487 AromaticContact CE1-CZ 3.79Å; F460-F487 HydrophobicContact CE1-CZ 3.79Å; F460-M491 HydrophobicContact CD1-CG 3.97Å; F460-M491 HydrophobicContact CD1-SD 4.16Å; F460-M491 HydrophobicContact CE1-CB 4.41Å; F460-M491 HydrophobicContact CE1-CG 3.51Å; F460-M491 HydrophobicContact CE1-SD 3.16Å; F460-M491 WeakPolarHBondContact CE1-SD 3.35Å; F460-M491 HydrophobicContact CZ-CB 4.49Å; F460-M491 HydrophobicContact CZ-CG 4.01Å; F460-M491 HydrophobicContact CZ-SD 3.49Å; F460-M491 WeakPolarHBondContact CZ-SD 3.44Å; F460-L537 HydrophobicContact CE1-CD2 3.85Å; F460-L537 HydrophobicContact CZ-CD2 3.88Å
461L96.5Very high95.8Very high0 Ų026.2 Ų26.20%013%0.131CC..  trans-63.6136.3-171.9-56.9177.5000111.6D268 T272 Y336 C340 Y344 D459 R488D268-L461 VanDerWaalsContact C-CD2 3.49Å; D268-L461 HydrophobicContact CB-CD2 3.64Å; D268-L461 WeakPolarHBondContact O-CD2 3.36Å; T272-L461 HydrophobicContact CG2-CD2 4.43Å; Y336-L461 HydrophobicContact CD1-CD2 4.31Å; Y336-L461 HydrophobicContact CE1-CD2 3.86Å; C340-L461 HydrophobicContact CB-CD1 3.93Å; Y344-L461 HydrophobicContact CD2-CB 3.49Å; Y344-L461 VanDerWaalsContact CD2-CB 3.49Å; Y344-L461 HydrophobicContact CD2-CD1 4.29Å; Y344-L461 HydrophobicContact CE2-CB 3.42Å; Y344-L461 VanDerWaalsContact CE2-CB 3.42Å; Y344-L461 HydrophobicContact CE2-CD1 4.42Å; Y344-L461 HydrophobicContact CG-CB 4.41Å; D459-L461 WeakPolarHBondContact OD1-CB 3.39Å; D459-L461 VanDerWaalsContact OD1-CG 3.24Å; D459-L461 WeakPolarHBondContact OD1-CG 3.38Å; D459-L461 PolarHBondContact OD1-N 3.29Å; L461-R488 PolarHBondContact O-NH1 2.95Å; L461-R488 VanDerWaalsContact O-NH1 3.08Å
462I97.1Very high96Very high1 Ų131.4 Ų31.41%0.00516%0.155CC..  trans-138.3163.617664.5174.2000107.6T272 Y336 Y344 F460 L464 K466 V467 Y486 Y518T272-I462 HydrophobicContact CG2-CG1 4.26Å; Y336-I462 WeakPolarHBondContact CE2-O 3.47Å; Y336-I462 PolarHBondContact OH-O 2.74Å; Y336-I462 VanDerWaalsContact OH-O 3.13Å; Y344-I462 WeakPolarHBondContact CB-O 3.38Å; F460-I462 PolarHBondContact O-N 3.48Å; I462-L464 PolarHBondContact O-N 3.32Å; I462-K466 HydrophobicContact CD1-CB 4.06Å; I462-V467 HydrophobicContact CD1-CG2 4.05Å; I462-V467 HydrophobicContact CG1-CG2 3.76Å; I462-Y486 WeakPolarHBondContact CD1-O 3.49Å; I462-Y518 HydrophobicContact CB-CD1 4.41Å; I462-Y518 HydrophobicContact CB-CG 4.49Å; I462-Y518 HydrophobicContact CG2-CD1 4.34Å; I462-Y518 HydrophobicContact CG2-CG 4.17Å
463P98.1Very high96.2Very high16 Ų1632.2 Ų32.210%0.10416%0.16CC..  trans-54.9138.5177.2-22.231.9000112.7Y344 D346 S465 K466 V467 Y518Y344-P463 HydrophobicContact CD1-CG 4.06Å; Y344-P463 WeakPolarHBondContact O-CA 3.12Å; D346-P463 HydrophobicContact CB-CB 4.4Å; D346-P463 VanDerWaalsContact CG-CB 3.49Å; D346-P463 VanDerWaalsContact OD2-CB 3.23Å; D346-P463 WeakPolarHBondContact OD2-CB 3.49Å; P463-S465 PolarHBondContact O-N 3.06Å; P463-K466 HydrophobicContact CB-CG 4.32Å; P463-K466 WeakPolarHBondContact O-CA 3.24Å; P463-K466 WeakPolarHBondContact O-CB 3.4Å; P463-K466 PolarHBondContact O-N 2.72Å; P463-V467 PolarHBondContact O-N 3.31Å; P463-Y518 HydrophobicContact CG-CD1 4.45Å; P463-Y518 HydrophobicContact CG-CE1 3.66Å
464L98Very high96.4Very high0 Ų032.3 Ų32.30%016%0.16CC..Hα-helixtrans-59.2-34.1-179.1-81.1-179.9000112.7I333 D334 Y336 Y344 N345 D346 I347 I462 K466 V467 D468I333-L464 HydrophobicContact CD1-CD2 3.77Å; I333-L464 HydrophobicContact CG1-CD2 3.92Å; D334-L464 WeakPolarHBondContact O-CD1 3.15Å; Y336-L464 HydrophobicContact CD1-CD2 4.32Å; Y336-L464 HydrophobicContact CD2-CD1 4.24Å; Y336-L464 HydrophobicContact CD2-CD2 3.99Å; Y336-L464 HydrophobicContact CD2-CG 3.76Å; Y336-L464 HydrophobicContact CE1-CD2 3.94Å; Y336-L464 HydrophobicContact CE2-CD1 4.49Å; Y336-L464 HydrophobicContact CE2-CD2 3.55Å; Y336-L464 HydrophobicContact CE2-CG 3.55Å; Y336-L464 HydrophobicContact CG-CD2 4.37Å; Y336-L464 HydrophobicContact CG-CG 4.45Å; Y344-L464 PolarHBondContact O-N 3.37Å; N345-L464 WeakPolarHBondContact OD1-CD1 3.5Å; D346-L464 PolarHBondContact OD1-N 3.45Å; I347-L464 HydrophobicContact CD1-CB 4.25Å; I347-L464 HydrophobicContact CD1-CD1 4.25Å; I347-L464 HydrophobicContact CG1-CB 4.26Å; I347-L464 HydrophobicContact CG1-CD1 4.28Å; I347-L464 HydrophobicContact CG2-CB 4.3Å; I462-L464 PolarHBondContact O-N 3.32Å; L464-K466 PolarHBondContact O-N 3.19Å; L464-K466 VanDerWaalsContact O-N 3.17Å; L464-V467 HydrophobicContact CD2-CG2 4.48Å; L464-V467 WeakPolarHBondContact O-CB 3.18Å; L464-V467 PolarHBondContact O-N 3.49Å; L464-D468 PolarHBondContact O-N 2.85Å
465S98.3Very high96.6Very high40 Ų4031.3 Ų31.328%0.2815%0.154SC..Hα-helixtrans-56.2-32.3173.869.70000112.4D346 P463 E469D346-S465 PolarHBondContact OD1-N 3.27Å; D346-S465 WeakPolarHBondContact OD2-CB 3.45Å; D346-S465 PolarHBondContact OD2-OG 2.71Å; P463-S465 PolarHBondContact O-N 3.06Å; S465-E469 PolarHBondContact O-N 3.06Å; S465-E469 VanDerWaalsContact O-N 3.07Å
466K98.6Very high96.9Very high42 Ų4234.2 Ų34.218%0.18316%0.159CC..Hα-helixtrans-80.5-32.2176.1-59.3-51.2-174.4178.50112.9I462 P463 L464 D468 E469 N470 Y486 Y518I462-K466 HydrophobicContact CD1-CB 4.06Å; P463-K466 HydrophobicContact CB-CG 4.32Å; P463-K466 WeakPolarHBondContact O-CA 3.24Å; P463-K466 WeakPolarHBondContact O-CB 3.4Å; P463-K466 PolarHBondContact O-N 2.72Å; L464-K466 PolarHBondContact O-N 3.19Å; L464-K466 VanDerWaalsContact O-N 3.17Å; K466-D468 VanDerWaalsContact C-N 3.33Å; K466-E469 IonicContact NZ-OE2 3.5Å; K466-E469 PolarHBondContact NZ-OE2 3.24Å; K466-E469 PolarHBondContact O-N 3.45Å; K466-N470 WeakPolarHBondContact O-CB 3.42Å; K466-N470 VanDerWaalsContact O-CG 3.23Å; K466-N470 PolarHBondContact O-N 3.12Å; K466-Y486 HydrophobicContact CB-CD2 4.18Å; K466-Y486 HydrophobicContact CB-CG 3.99Å; K466-Y486 HydrophobicContact CD-CD1 4.18Å; K466-Y486 HydrophobicContact CD-CD2 3.92Å; K466-Y486 HydrophobicContact CD-CE1 4.11Å; K466-Y486 HydrophobicContact CD-CE2 3.87Å; K466-Y486 HydrophobicContact CD-CG 4.07Å; K466-Y486 HydrophobicContact CG-CD1 4.39Å; K466-Y486 HydrophobicContact CG-CD2 4.48Å; K466-Y486 HydrophobicContact CG-CG 4.24Å; K466-Y486 PolarHBondContact NZ-OH 3.36Å; K466-Y518 HydrophobicContact CG-CE2 4.21Å
467V98.7Very high97.2Very high1 Ų135.1 Ų35.11%0.00616%0.162CC..Hα-helixtrans-63-42.8168.8-177.30000110.3T272 Y336 I462 P463 L464 E469 N470 M471T272-V467 HydrophobicContact CG2-CG2 4.31Å; Y336-V467 WeakPolarHBondContact OH-CG2 3.34Å; I462-V467 HydrophobicContact CD1-CG2 4.05Å; I462-V467 HydrophobicContact CG1-CG2 3.76Å; P463-V467 PolarHBondContact O-N 3.31Å; L464-V467 HydrophobicContact CD2-CG2 4.48Å; L464-V467 WeakPolarHBondContact O-CB 3.18Å; L464-V467 PolarHBondContact O-N 3.49Å; V467-E469 PolarHBondContact O-N 3.34Å; V467-N470 WeakPolarHBondContact O-CB 3.16Å; V467-N470 PolarHBondContact O-N 3.43Å; V467-M471 WeakPolarHBondContact O-CG 3.43Å; V467-M471 PolarHBondContact O-N 2.87Å
468D98.6Very high97.6Very high25 Ų2530.8 Ų30.813%0.13414%0.144CC..Hα-helixtrans-64.5-39.5176.3-77.5-7.7000112.5K327 S332 L464 K466 M471 K472K327-D468 WeakPolarHBondContact CE-OD2 3.38Å; K327-D468 IonicContact NZ-OD1 3.72Å; K327-D468 PolarHBondContact NZ-OD1 3.37Å; K327-D468 IonicContact NZ-OD2 3.23Å; K327-D468 PolarHBondContact NZ-OD2 3.31Å; S332-D468 WeakPolarHBondContact CB-OD1 3.29Å; S332-D468 PolarHBondContact OG-OD1 3Å; L464-D468 PolarHBondContact O-N 2.85Å; K466-D468 VanDerWaalsContact C-N 3.33Å; D468-M471 PolarHBondContact O-N 2.82Å; D468-K472 PolarHBondContact O-N 2.95Å
469E98.7Very high97.9Very high76 Ų7631 Ų3136%0.35515%0.146SC..Hα-helixtrans-61.9-45.7172.9-168.4173.7167.700111.2S465 K466 V467 M471 K472 V473 Y486S465-E469 PolarHBondContact O-N 3.06Å; S465-E469 VanDerWaalsContact O-N 3.07Å; K466-E469 IonicContact NZ-OE2 3.5Å; K466-E469 PolarHBondContact NZ-OE2 3.24Å; K466-E469 PolarHBondContact O-N 3.45Å; V467-E469 PolarHBondContact O-N 3.34Å; E469-M471 VanDerWaalsContact C-N 3.31Å; E469-M471 PolarHBondContact O-N 2.87Å; E469-K472 WeakPolarHBondContact O-CB 3.34Å; E469-K472 PolarHBondContact O-N 3.36Å; E469-K472 VanDerWaalsContact O-N 3.12Å; E469-V473 WeakPolarHBondContact O-CG2 3.43Å; E469-V473 PolarHBondContact O-N 3.1Å; E469-Y486 HydrophobicContact CG-CE2 4.21Å; E469-Y486 VanDerWaalsContact OE2-CE2 3.26Å; E469-Y486 WeakPolarHBondContact OE2-CE2 3.43Å
470N98.9Very high98.1Very high0 Ų031.1 Ų31.10%015%0.147CC..Hα-helixtrans-59.5-39.2175-75.9-12000112.5P275 K466 V467 K472 V473 A474 F485 Y486P275-N470 HydrophobicContact CB-CB 3.62Å; P275-N470 HydrophobicContact CG-CB 3.48Å; P275-N470 VanDerWaalsContact CG-CB 3.48Å; K466-N470 WeakPolarHBondContact O-CB 3.42Å; K466-N470 VanDerWaalsContact O-CG 3.23Å; K466-N470 PolarHBondContact O-N 3.12Å; V467-N470 WeakPolarHBondContact O-CB 3.16Å; V467-N470 PolarHBondContact O-N 3.43Å; N470-K472 VanDerWaalsContact C-N 3.27Å; N470-K472 PolarHBondContact O-N 3.3Å; N470-V473 PolarHBondContact O-N 3.22Å; N470-A474 WeakPolarHBondContact O-CB 3.3Å; N470-A474 PolarHBondContact O-N 2.91Å; N470-F485 HydrophobicContact CB-CD1 3.92Å; N470-F485 VanDerWaalsContact OD1-CA 3.29Å; N470-F485 WeakPolarHBondContact OD1-CA 3.44Å; N470-Y486 PolarHBondContact ND2-N 3.32Å; N470-Y486 PolarHBondContact ND2-O 2.99Å; N470-Y486 PolarHBondContact OD1-N 3.47Å
471M98.7Very high98.2Very high4 Ų434.3 Ų34.32%0.0216%0.162CC..Hα-helixtrans-63.1-32.8176.6-74.2-63.5-62.200112.5C274 P275 M278 W298 T409 V467 D468 E469 Q475C274-M471 HydrophobicContact CB-SD 4.21Å; P275-M471 HydrophobicContact CB-CG 4.2Å; P275-M471 HydrophobicContact CB-SD 3.71Å; P275-M471 HydrophobicContact CG-SD 4.21Å; M278-M471 HydrophobicContact CE-CE 3.51Å; M278-M471 WeakPolarHBondContact CE-O 3.49Å; M278-M471 HydrophobicContact CE-SD 3.86Å; M278-M471 HydrophobicContact SD-CE 3.78Å; W298-M471 HydrophobicContact CD2-CE 3.87Å; W298-M471 HydrophobicContact CG-CE 3.79Å; T409-M471 HydrophobicContact CG2-CE 3.4Å; T409-M471 HydrophobicContact CG2-SD 3.97Å; V467-M471 WeakPolarHBondContact O-CG 3.43Å; V467-M471 PolarHBondContact O-N 2.87Å; D468-M471 PolarHBondContact O-N 2.82Å; E469-M471 VanDerWaalsContact C-N 3.31Å; E469-M471 PolarHBondContact O-N 2.87Å; M471-Q475 WeakPolarHBondContact O-CG 3.37Å; M471-Q475 PolarHBondContact O-NE2 2.61Å
472K98.4Very high98.3Very high148 Ų14840.8 Ų40.864%0.64319%0.192SC*.Hα-helixtrans-72.5-40.7172.5-65.7170.5-175.3170.30111.6D468 E469 N470D468-K472 PolarHBondContact O-N 2.95Å; E469-K472 WeakPolarHBondContact O-CB 3.34Å; E469-K472 PolarHBondContact O-N 3.36Å; E469-K472 VanDerWaalsContact O-N 3.12Å; N470-K472 VanDerWaalsContact C-N 3.27Å; N470-K472 PolarHBondContact O-N 3.3Å
473V98.8Very high98.3Very high20 Ų2041.1 Ų41.112%0.12120%0.196CC..Hα-helixtrans-64-45.1177.6175.20000111.1E469 N470 Q475 K476 A479 F485E469-V473 WeakPolarHBondContact O-CG2 3.43Å; E469-V473 PolarHBondContact O-N 3.1Å; N470-V473 PolarHBondContact O-N 3.22Å; V473-Q475 PolarHBondContact O-N 2.78Å; V473-Q475 VanDerWaalsContact O-N 3.11Å; V473-K476 WeakPolarHBondContact O-CB 3.37Å; V473-K476 PolarHBondContact O-N 3.25Å; V473-A479 WeakPolarHBondContact O-CB 3.45Å; V473-F485 HydrophobicContact CB-CD1 4.47Å; V473-F485 HydrophobicContact CB-CE1 3.97Å; V473-F485 HydrophobicContact CB-CZ 4.35Å; V473-F485 HydrophobicContact CG1-CD1 4.34Å; V473-F485 HydrophobicContact CG1-CE1 3.77Å; V473-F485 HydrophobicContact CG1-CE2 4.13Å; V473-F485 HydrophobicContact CG1-CZ 3.67Å
474A98.7Very high98.4Very high1 Ų144.6 Ų44.61%0.00821%0.211CC..Hα-helixtrans-60-23.2-176.400000114.7P275 M278 A279 C296 N470 F485P275-A474 HydrophobicContact CB-CB 4.03Å; P275-A474 WeakPolarHBondContact O-CB 3.41Å; M278-A474 HydrophobicContact CB-CB 4.47Å; M278-A474 HydrophobicContact CE-CB 3.27Å; A279-A474 HydrophobicContact CB-CB 4.03Å; C296-A474 PolarHBondContact SG-O 2.75Å; N470-A474 WeakPolarHBondContact O-CB 3.3Å; N470-A474 PolarHBondContact O-N 2.91Å; A474-F485 HydrophobicContact CB-CE1 3.79Å; A474-F485 HydrophobicContact CB-CZ 4.21Å
475Q97.9Very high98.4Very high33 Ų3344.6 Ų44.615%0.15421%0.211CC..Hα-helixtrans-82.1-22178.8-67.7176.374.400113.3M278 I294 D295 C296 W298 M471 V473M278-Q475 HydrophobicContact CE-CG 3.82Å; I294-Q475 CarbonylContact C-O 3.54Å; I294-Q475 WeakPolarHBondContact CA-O 3.37Å; I294-Q475 VanDerWaalsContact CB-O 3.24Å; I294-Q475 WeakPolarHBondContact CB-O 3.34Å; D295-Q475 PolarHBondContact N-O 3.05Å; C296-Q475 HydrophobicContact CB-CG 4.2Å; W298-Q475 HydrophobicContact CB-CG 4.34Å; M471-Q475 WeakPolarHBondContact O-CG 3.37Å; M471-Q475 PolarHBondContact O-NE2 2.61Å; V473-Q475 PolarHBondContact O-N 2.78Å; V473-Q475 VanDerWaalsContact O-N 3.11Å
476K98.5Very high98.4Very high124 Ų12444.6 Ų44.654%0.53921%0.206SC..BIsolated β-bridgetrans-61.3147.5-175.8-64.2178.8-179.6177.30110.6V473 N478 A479V473-K476 WeakPolarHBondContact O-CB 3.37Å; V473-K476 PolarHBondContact O-N 3.25Å; K476-N478 PolarHBondContact O-N 2.95Å; K476-A479 HydrophobicContact CB-CB 4.38Å; K476-A479 VanDerWaalsContact O-CB 3.23Å; K476-A479 WeakPolarHBondContact O-CB 3.31Å; K476-A479 PolarHBondContact O-N 2.96Å; K476-A479 VanDerWaalsContact O-N 3.1Å
477R98.1Very high98.4Very high91 Ų9142.7 Ų42.734%0.34320%0.197SC..THydrogen-bonded Turntrans-51.3131.7172.4-173.6-17469-139.6-11110.7D293 D295 A479D293-R477 PolarHBondContact O-N 3.41Å; D293-R477 IonicContact OD1-CZ 3.9Å; D293-R477 IonicContact OD1-NE 3.23Å; D293-R477 IonicContact OD1-NH1 2.73Å; D293-R477 PolarHBondContact OD1-NH1 2.6Å; D293-R477 IonicContact OD1-NH2 2.9Å; D295-R477 WeakPolarHBondContact OD2-CA 3.25Å; R477-A479 PolarHBondContact O-N 3.15Å
478N97.7Very high98.2Very high20 Ų2043 Ų4311%0.10720%0.198CC..THydrogen-bonded Turntrans59.123.2179.1-15330.7000115.2D295 K476 V480 Q481 E482D295-N478 PolarHBondContact OD2-N 2.89Å; K476-N478 PolarHBondContact O-N 2.95Å; N478-V480 PolarHBondContact O-N 3.23Å; N478-V480 VanDerWaalsContact O-N 3.08Å; N478-Q481 PolarHBondContact ND2-OE1 2.89Å; N478-Q481 VanDerWaalsContact ND2-OE1 3.1Å; N478-Q481 PolarHBondContact O-N 2.98Å; N478-Q481 WeakPolarHBondContact OD1-CG 3.39Å; N478-Q481 PolarHBondContact OD1-OE1 3.08Å; N478-E482 PolarHBondContact ND2-OE1 3.11Å; N478-E482 PolarHBondContact O-N 3.16Å
479A98.6Very high97.8Very high5 Ų546.1 Ų46.14%0.04121%0.211CC..Hα-helixtrans-56.8-27.4-178.300000114.1A279 V473 K476 R477 Q481 G483 F485A279-A479 HydrophobicContact CB-CB 4.48Å; V473-A479 WeakPolarHBondContact O-CB 3.45Å; K476-A479 HydrophobicContact CB-CB 4.38Å; K476-A479 VanDerWaalsContact O-CB 3.23Å; K476-A479 WeakPolarHBondContact O-CB 3.31Å; K476-A479 PolarHBondContact O-N 2.96Å; K476-A479 VanDerWaalsContact O-N 3.1Å; R477-A479 PolarHBondContact O-N 3.15Å; A479-Q481 VanDerWaalsContact C-N 3.25Å; A479-Q481 PolarHBondContact O-N 3.37Å; A479-G483 WeakPolarHBondContact O-CA 3.28Å; A479-G483 PolarHBondContact O-N 3.39Å; A479-F485 HydrophobicContact CB-CZ 4.37Å
480V98.4Very high97.3Very high6 Ų644.9 Ų44.94%0.03621%0.207CC..Hα-helixtrans-61.3-33.8175.572.50000112.8L280 N478 I523 T575L280-V480 HydrophobicContact CD2-CG2 3.88Å; L280-V480 HydrophobicContact CG-CG2 4.4Å; N478-V480 PolarHBondContact O-N 3.23Å; N478-V480 VanDerWaalsContact O-N 3.08Å; V480-I523 HydrophobicContact CG2-CB 4.39Å; V480-I523 HydrophobicContact CG2-CG2 4.05Å; V480-I523 WeakPolarHBondContact O-CB 3.4Å; V480-T575 HydrophobicContact CB-CG2 4.31Å; V480-T575 HydrophobicContact CG1-CG2 3.77Å
481Q97.6Very high96.8Very high67 Ų6745.1 Ų45.131%0.31321%0.208SC..Hα-helixtrans-98.9-36.4-178-54.8-166.6-42.500112.1N478 A479N478-Q481 PolarHBondContact ND2-OE1 2.89Å; N478-Q481 VanDerWaalsContact ND2-OE1 3.1Å; N478-Q481 PolarHBondContact O-N 2.98Å; N478-Q481 WeakPolarHBondContact OD1-CG 3.39Å; N478-Q481 PolarHBondContact OD1-OE1 3.08Å; A479-Q481 VanDerWaalsContact C-N 3.25Å; A479-Q481 PolarHBondContact O-N 3.37Å
482E98.1Very high96.1Very high136 Ų13650.2 Ų50.264%0.63623%0.23SC*.Hα-helixtrans-108.2-16.6-169.5-65.2174.4-157.500113.4N478N478-E482 PolarHBondContact ND2-OE1 3.11Å; N478-E482 PolarHBondContact O-N 3.16Å
483G98.1Very high94.6Very high8 Ų850.9 Ų50.98%0.08223%0.233CC..  trans-75.7145.3-177.800000112.9A479A479-G483 WeakPolarHBondContact O-CA 3.28Å; A479-G483 PolarHBondContact O-N 3.39Å
484M98.6Very high92.9Very high89 Ų8951 Ų5144%0.43824%0.239SC..EExtended strand (participates in β ladder)trans-115.4130.9171-64.7-62.1-65.900108.7L520M484-L520 HydrophobicContact CB-CB 4.31Å; M484-L520 HydrophobicContact CB-CD2 4.11Å; M484-L520 HydrophobicContact CE-CB 4.08Å
485F98.8Very high91.2Very high0 Ų052.4 Ų52.40%025%0.248CC..EExtended strand (participates in β ladder)trans-123.5134.5-171-64.3-91.5000110.5P275 I276 A279 N470 V473 A474 A479 F487 L520 M521 I523 I526P275-F485 HydrophobicContact CB-CD1 4.49Å; P275-F485 HydrophobicContact CB-CE1 4.46Å; I276-F485 HydrophobicContact CD1-CB 3.62Å; I276-F485 HydrophobicContact CD1-CD1 3.8Å; I276-F485 HydrophobicContact CD1-CD2 4.39Å; I276-F485 HydrophobicContact CD1-CG 3.67Å; A279-F485 HydrophobicContact CB-CZ 3.92Å; N470-F485 HydrophobicContact CB-CD1 3.92Å; N470-F485 VanDerWaalsContact OD1-CA 3.29Å; N470-F485 WeakPolarHBondContact OD1-CA 3.44Å; V473-F485 HydrophobicContact CB-CD1 4.47Å; V473-F485 HydrophobicContact CB-CE1 3.97Å; V473-F485 HydrophobicContact CB-CZ 4.35Å; V473-F485 HydrophobicContact CG1-CD1 4.34Å; V473-F485 HydrophobicContact CG1-CE1 3.77Å; V473-F485 HydrophobicContact CG1-CE2 4.13Å; V473-F485 HydrophobicContact CG1-CZ 3.67Å; A474-F485 HydrophobicContact CB-CE1 3.79Å; A474-F485 HydrophobicContact CB-CZ 4.21Å; A479-F485 HydrophobicContact CB-CZ 4.37Å; F485-F487 PolarHBondContact O-N 3.13Å; F485-L520 CarbonylContact O-C 3.56Å; F485-L520 WeakPolarHBondContact O-CA 3.44Å; F485-M521 PolarHBondContact N-O 2.68Å; F485-M521 PolarHBondContact O-N 2.73Å; F485-I523 HydrophobicContact CD2-CD1 3.58Å; F485-I523 HydrophobicContact CD2-CG1 3.84Å; F485-I523 HydrophobicContact CE2-CD1 3.53Å; F485-I523 HydrophobicContact CE2-CG1 3.52Å; F485-I523 HydrophobicContact CG-CD1 4.19Å; F485-I523 HydrophobicContact CZ-CD1 4.08Å; F485-I523 HydrophobicContact CZ-CG1 4.32Å; F485-I526 HydrophobicContact CB-CD1 4.09Å
486Y98.6Very high89.4Confident40 Ų4053.1 Ų53.116%0.15725%0.253CS..EExtended strand (participates in β ladder)trans-64125.1170.7-70.5-82.4000109.3I462 K466 E469 N470 Y518 T519 L520I462-Y486 WeakPolarHBondContact CD1-O 3.49Å; K466-Y486 HydrophobicContact CB-CD2 4.18Å; K466-Y486 HydrophobicContact CB-CG 3.99Å; K466-Y486 HydrophobicContact CD-CD1 4.18Å; K466-Y486 HydrophobicContact CD-CD2 3.92Å; K466-Y486 HydrophobicContact CD-CE1 4.11Å; K466-Y486 HydrophobicContact CD-CE2 3.87Å; K466-Y486 HydrophobicContact CD-CG 4.07Å; K466-Y486 HydrophobicContact CG-CD1 4.39Å; K466-Y486 HydrophobicContact CG-CD2 4.48Å; K466-Y486 HydrophobicContact CG-CG 4.24Å; K466-Y486 PolarHBondContact NZ-OH 3.36Å; E469-Y486 HydrophobicContact CG-CE2 4.21Å; E469-Y486 VanDerWaalsContact OE2-CE2 3.26Å; E469-Y486 WeakPolarHBondContact OE2-CE2 3.43Å; N470-Y486 PolarHBondContact ND2-N 3.32Å; N470-Y486 PolarHBondContact ND2-O 2.99Å; N470-Y486 PolarHBondContact OD1-N 3.47Å; Y486-Y518 AromaticContact CD1-CD2 3.74Å; Y486-Y518 HydrophobicContact CD1-CD2 3.74Å; Y486-Y518 AromaticContact CD1-CE2 3.84Å; Y486-Y518 HydrophobicContact CD1-CE2 3.84Å; Y486-Y518 HydrophobicContact CE1-CD2 4.44Å; Y486-Y518 HydrophobicContact CE1-CE2 4.18Å; Y486-T519 CarbonylContact C-O 3.48Å; Y486-T519 WeakPolarHBondContact CA-O 3.46Å; Y486-L520 HydrophobicContact CD1-CD2 4.05Å; Y486-L520 HydrophobicContact CD1-CG 4.24Å; Y486-L520 HydrophobicContact CD2-CD2 3.76Å; Y486-L520 HydrophobicContact CE1-CD2 4.06Å; Y486-L520 HydrophobicContact CE1-CG 4.04Å; Y486-L520 HydrophobicContact CE2-CD2 3.72Å; Y486-L520 HydrophobicContact CE2-CG 4.49Å; Y486-L520 HydrophobicContact CG-CD2 3.93Å
487F97.7Very high87.4Confident2 Ų249 Ų491%0.00924%0.239CC..EExtended strand (participates in β ladder)trans-147.7150.4-176.6-153.4-101.1000111F273 I276 F460 F485 K489 Y518 T519 M521 I526 F534F273-F487 HydrophobicContact CE1-CE2 4.23Å; F273-F487 AromaticContact CE1-CZ 3.87Å; F273-F487 HydrophobicContact CE1-CZ 3.87Å; F273-F487 HydrophobicContact CZ-CZ 4.09Å; I276-F487 HydrophobicContact CD1-CD2 4.49Å; I276-F487 HydrophobicContact CG1-CD2 4.42Å; I276-F487 HydrophobicContact CG1-CE2 4.3Å; F460-F487 AromaticContact CD1-CE1 3.76Å; F460-F487 HydrophobicContact CD1-CE1 3.76Å; F460-F487 HydrophobicContact CD1-CE2 4.44Å; F460-F487 AromaticContact CD1-CZ 3.51Å; F460-F487 HydrophobicContact CD1-CZ 3.51Å; F460-F487 AromaticContact CE1-CE1 3.89Å; F460-F487 HydrophobicContact CE1-CE1 3.89Å; F460-F487 AromaticContact CE1-CZ 3.79Å; F460-F487 HydrophobicContact CE1-CZ 3.79Å; F485-F487 PolarHBondContact O-N 3.13Å; F487-K489 PolarHBondContact O-N 3.27Å; F487-Y518 CarbonylContact O-C 3.49Å; F487-Y518 WeakPolarHBondContact O-CA 3.22Å; F487-Y518 WeakPolarHBondContact O-CB 3.42Å; F487-T519 PolarHBondContact N-O 3.05Å; F487-T519 PolarHBondContact O-N 2.91Å; F487-M521 HydrophobicContact CB-CG 4.47Å; F487-M521 HydrophobicContact CB-SD 4.39Å; F487-I526 HydrophobicContact CB-CD1 3.93Å; F487-I526 HydrophobicContact CB-CG1 4.14Å; F487-I526 HydrophobicContact CD1-CG1 4.11Å; F487-I526 HydrophobicContact CD1-CG2 4.29Å; F487-I526 HydrophobicContact CD2-CD1 3.86Å; F487-I526 HydrophobicContact CD2-CG1 4.26Å; F487-I526 HydrophobicContact CD2-CG2 4.25Å; F487-I526 HydrophobicContact CE1-CG2 4Å; F487-I526 HydrophobicContact CE2-CG2 3.96Å; F487-I526 HydrophobicContact CG-CD1 3.85Å; F487-I526 HydrophobicContact CG-CG1 3.9Å; F487-I526 HydrophobicContact CG-CG2 4.41Å; F487-I526 HydrophobicContact CZ-CG2 3.82Å; F487-F534 HydrophobicContact CD1-CE2 4.44Å; F487-F534 HydrophobicContact CD1-CZ 4.05Å; F487-F534 HydrophobicContact CE1-CE1 4.21Å; F487-F534 HydrophobicContact CE1-CE2 4.42Å; F487-F534 AromaticContact CE1-CZ 3.7Å; F487-F534 HydrophobicContact CE1-CZ 3.7Å
488R94.8Very high85.5Confident7 Ų748.2 Ų48.23%0.02626%0.258CS..EExtended strand (participates in β ladder)trans-61.8133.2-179.2-169.577.8176.4-122.7-8.5111.2Y344 D459 L461 D490 D517Y344-R488 PolarHBondContact OH-NH1 3.11Å; D459-R488 WeakPolarHBondContact O-CG 3.2Å; D459-R488 IonicContact OD1-NH1 2.76Å; D459-R488 IonicContact OD2-CZ 3.04Å; D459-R488 VanDerWaalsContact OD2-CZ 3.28Å; D459-R488 IonicContact OD2-NH1 3.14Å; D459-R488 PolarHBondContact OD2-NH1 3.36Å; D459-R488 IonicContact OD2-NH2 3.28Å; D459-R488 PolarHBondContact OD2-NH2 3.38Å; D459-R488 VanDerWaalsContact OD2-NH2 3.14Å; L461-R488 PolarHBondContact O-NH1 2.95Å; L461-R488 VanDerWaalsContact O-NH1 3.08Å; R488-D490 WeakPolarHBondContact CG-O 3.5Å; R488-D490 PolarHBondContact NE-O 3.08Å; R488-D517 WeakPolarHBondContact CD-O 3.33Å
489K90.7Very high83.4Confident91 Ų9152.8 Ų52.840%0.39628%0.282SS..SBendtrans-72.9-50.5176.3-70.5172.4-179.5158.30111.9F487 E516 D517 Y518 T519F487-K489 PolarHBondContact O-N 3.27Å; K489-E516 PolarHBondContact NZ-O 3.42Å; K489-D517 PolarHBondContact N-O 2.89Å; K489-Y518 WeakPolarHBondContact CE-O 3.46Å; K489-Y518 PolarHBondContact NZ-O 3.1Å; K489-T519 HydrophobicContact CG-CG2 3.7Å
490D87.3Confident81.4Confident51 Ų5155.5 Ų55.527%0.27330%0.296SS..  trans-121.6109.4-176.8-169.9-18.4000110.1R488 F492 K493R488-D490 WeakPolarHBondContact CG-O 3.5Å; R488-D490 PolarHBondContact NE-O 3.08Å; D490-F492 PolarHBondContact OD1-N 3.04Å; D490-F492 VanDerWaalsContact OD1-N 3.07Å; D490-K493 WeakPolarHBondContact OD2-CD 3.16Å; D490-K493 VanDerWaalsContact OD2-CE 3.24Å; D490-K493 WeakPolarHBondContact OD2-CE 3.44Å; D490-K493 VanDerWaalsContact OD2-CG 3.32Å; D490-K493 WeakPolarHBondContact OD2-CG 3.07Å; D490-K493 IonicContact OD2-NZ 3.71Å; D490-K493 PolarHBondContact OD2-NZ 3.41Å
491M88.4Confident79.3Confident5 Ų558 Ų583%0.02531%0.314CS..SBendtrans-84.7-16.4-176.4-59165.1-70.800113.4L458 D459 F460 F534 I540L458-M491 WeakPolarHBondContact CA-O 3.47Å; L458-M491 HydrophobicContact CD2-CB 4.35Å; D459-M491 PolarHBondContact N-O 3.44Å; D459-M491 WeakPolarHBondContact O-CA 3.37Å; F460-M491 HydrophobicContact CD1-CG 3.97Å; F460-M491 HydrophobicContact CD1-SD 4.16Å; F460-M491 HydrophobicContact CE1-CB 4.41Å; F460-M491 HydrophobicContact CE1-CG 3.51Å; F460-M491 HydrophobicContact CE1-SD 3.16Å; F460-M491 WeakPolarHBondContact CE1-SD 3.35Å; F460-M491 HydrophobicContact CZ-CB 4.49Å; F460-M491 HydrophobicContact CZ-CG 4.01Å; F460-M491 HydrophobicContact CZ-SD 3.49Å; F460-M491 WeakPolarHBondContact CZ-SD 3.44Å; M491-F534 HydrophobicContact CE-CD2 4.46Å; M491-F534 HydrophobicContact CE-CE1 4.47Å; M491-F534 HydrophobicContact CE-CE2 3.49Å; M491-F534 VanDerWaalsContact CE-CE2 3.49Å; M491-F534 HydrophobicContact CE-CZ 3.5Å; M491-F534 VanDerWaalsContact CE-CZ 3.5Å; M491-F534 HydrophobicContact CG-CE2 4.1Å; M491-F534 HydrophobicContact CG-CZ 4.24Å; M491-F534 HydrophobicContact SD-CE2 3.74Å; M491-F534 HydrophobicContact SD-CZ 3.38Å; M491-F534 WeakPolarHBondContact SD-CZ 3.43Å; M491-I540 HydrophobicContact CE-CD1 3.3Å; M491-I540 HydrophobicContact SD-CD1 3.91Å
492F83.7Confident76.9Confident111 Ų11158.5 Ų58.549%0.48733%0.329SS..SBendtrans-93.9-11-173.6-64.8-79.9000112.7L458 D490 G494L458-F492 HydrophobicContact CD2-CD1 3.68Å; L458-F492 HydrophobicContact CD2-CE1 3.43Å; L458-F492 VanDerWaalsContact CD2-CE1 3.43Å; L458-F492 HydrophobicContact CD2-CG 4.42Å; L458-F492 HydrophobicContact CD2-CZ 3.99Å; D490-F492 PolarHBondContact OD1-N 3.04Å; D490-F492 VanDerWaalsContact OD1-N 3.07Å; F492-G494 VanDerWaalsContact C-N 3.3Å; F492-G494 PolarHBondContact O-N 2.98Å
493K68.1Low74.3Confident162 Ų16255.3 Ų55.370%0.70432%0.322SS*.SBendtrans-95.236.7177.4-68.9-170.1-175.4120.20113.2D490D490-K493 WeakPolarHBondContact OD2-CD 3.16Å; D490-K493 VanDerWaalsContact OD2-CE 3.24Å; D490-K493 WeakPolarHBondContact OD2-CE 3.44Å; D490-K493 VanDerWaalsContact OD2-CG 3.32Å; D490-K493 WeakPolarHBondContact OD2-CG 3.07Å; D490-K493 IonicContact OD2-NZ 3.71Å; D490-K493 PolarHBondContact OD2-NZ 3.41Å
494G62.3Low71.6Confident23 Ų2358.9 Ų58.924%0.23735%0.345CS..  trans-86.3159.9-173.400000116.2D459 F492D459-G494 VanDerWaalsContact OD2-CA 3.32Å; D459-G494 WeakPolarHBondContact OD2-CA 3.33Å; F492-G494 VanDerWaalsContact C-N 3.3Å; F492-G494 PolarHBondContact O-N 2.98Å
495C63.3Low68.7Low30 Ų3058.7 Ų58.720%0.20336%0.358CS..  trans-60.9135.7169166.30000111.2C340 P497 D500C340-C495 WeakPolarHBondContact CA-SG 3.12Å; C340-C495 HydrophobicContact CB-CB 3.5Å; C340-C495 WeakPolarHBondContact CB-SG 3.42Å; C340-C495 WeakPolarHBondContact SG-CB 3.47Å; C340-C495 CovalentContact SG-SG 2.04Å; C340-C495 PolarHBondContact SG-SG 3.49Å; C495-P497 WeakPolarHBondContact O-CD 3.45Å; C495-D500 VanDerWaalsContact CA-OD2 3.26Å; C495-D500 WeakPolarHBondContact CA-OD2 3.48Å
496N61.2Low65.6Low47 Ų4766.6 Ų66.625%0.25140%0.395SS..  trans-107.1101.3-177.2-146.8-27.3000108.2K457 G498 L499 D500K457-N496 WeakPolarHBondContact CD-OD1 3.2Å; K457-N496 PolarHBondContact NZ-OD1 3.06Å; N496-G498 VanDerWaalsContact C-N 3.26Å; N496-G498 PolarHBondContact O-N 2.96Å; N496-L499 HydrophobicContact CB-CB 4.41Å; N496-L499 HydrophobicContact CB-CD1 4.46Å; N496-L499 PolarHBondContact O-N 3.23Å; N496-D500 PolarHBondContact N-OD2 2.94Å; N496-D500 WeakPolarHBondContact O-CB 3.3Å; N496-D500 PolarHBondContact O-N 2.98Å
497P56.3Low62.4Low39 Ų3970.9 Ų70.925%0.25342%0.42SS..Hα-helixtrans-54.5-37.9-166.6-26.532.2000114.1Y265 C495 L499 C501Y265-P497 HydrophobicContact CD2-CG 3.59Å; Y265-P497 HydrophobicContact CE2-CG 3.82Å; Y265-P497 HydrophobicContact CG-CG 4.17Å; C495-P497 WeakPolarHBondContact O-CD 3.45Å; P497-L499 VanDerWaalsContact C-N 3.35Å; P497-L499 PolarHBondContact O-N 3.25Å; P497-C501 VanDerWaalsContact O-CB 3.27Å; P497-C501 WeakPolarHBondContact O-CB 3.39Å; P497-C501 PolarHBondContact O-N 3.4Å; P497-C501 PolarHBondContact O-SG 3.47Å
498G56.7Low59.5Low73 Ų7375 Ų7575%0.75346%0.464SS*.Hα-helixtrans-73-18.6-179.600000115.7N496N496-G498 VanDerWaalsContact C-N 3.26Å; N496-G498 PolarHBondContact O-N 2.96Å
499L54.9Low56.5Low116 Ų11679.9 Ų79.961%0.60749%0.494SS*.Hα-helixtrans-106-40.1179.1-82.6142.8000111.3N496 P497N496-L499 HydrophobicContact CB-CB 4.41Å; N496-L499 HydrophobicContact CB-CD1 4.46Å; N496-L499 PolarHBondContact O-N 3.23Å; P497-L499 VanDerWaalsContact C-N 3.35Å; P497-L499 PolarHBondContact O-N 3.25Å
500D56.5Low53.9Low63 Ų6383.8 Ų83.834%0.33751%0.514SS..Hα-helixtrans-84.2-29.7-171.5-65.1-24.3000112.8C495 N496 A502 S503 S504C495-D500 VanDerWaalsContact CA-OD2 3.26Å; C495-D500 WeakPolarHBondContact CA-OD2 3.48Å; N496-D500 PolarHBondContact N-OD2 2.94Å; N496-D500 WeakPolarHBondContact O-CB 3.3Å; N496-D500 PolarHBondContact O-N 2.98Å; D500-A502 PolarHBondContact O-N 3.37Å; D500-S503 WeakPolarHBondContact CA-OG 3.13Å; D500-S503 PolarHBondContact O-N 3.19Å; D500-S503 PolarHBondContact O-OG 3.43Å; D500-S504 PolarHBondContact O-N 2.59Å; D500-S504 PolarHBondContact O-OG 3.13Å
501C53.1Low51.5Low59 Ų5991.1 Ų91.140%0.39954%0.544SS..Hα-helixtrans-70.1-16.5173.3-560000112.5C339 P497 S504C339-C501 HydrophobicContact CB-CB 4.12Å; C339-C501 WeakPolarHBondContact CB-SG 3.33Å; C339-C501 WeakPolarHBondContact SG-CB 3.46Å; C339-C501 CovalentContact SG-SG 2.06Å; C339-C501 PolarHBondContact SG-SG 3.16Å; P497-C501 VanDerWaalsContact O-CB 3.27Å; P497-C501 WeakPolarHBondContact O-CB 3.39Å; P497-C501 PolarHBondContact O-N 3.4Å; P497-C501 PolarHBondContact O-SG 3.47Å; C501-S504 PolarHBondContact O-OG 3.28Å; C501-S504 VanDerWaalsContact O-OG 3.06Å
502A47.6Very low49Very low77 Ų7799.8 Ų99.864%0.63658%0.584SS**Hα-helixtrans-85.6-28.3175.800000112.9D500D500-A502 PolarHBondContact O-N 3.37Å
503S43.6Very low46.7Very low69 Ų6997.5 Ų97.548%0.48359%0.592SS.*Hα-helixtrans-88.2-22-178.953.80000113.3D500 A505 Q506D500-S503 WeakPolarHBondContact CA-OG 3.13Å; D500-S503 PolarHBondContact O-N 3.19Å; D500-S503 PolarHBondContact O-OG 3.43Å; S503-A505 PolarHBondContact O-N 3.5Å; S503-A505 VanDerWaalsContact O-N 3.1Å; S503-Q506 PolarHBondContact O-N 3.46Å; S503-Q506 VanDerWaalsContact O-N 3.13Å
504S41.8Very low45.4Very low83 Ų8398.5 Ų98.558%0.5861%0.605SS**THydrogen-bonded Turntrans-63.6-10.217349.70000114.2D500 C501D500-S504 PolarHBondContact O-N 2.59Å; D500-S504 PolarHBondContact O-OG 3.13Å; C501-S504 PolarHBondContact O-OG 3.28Å; C501-S504 VanDerWaalsContact O-OG 3.06Å
505A38Very low45Very low84 Ų84103.7 Ų103.769%0.69463%0.627SS**THydrogen-bonded Turntrans-80.5-8.7173.200000114.3S503S503-A505 PolarHBondContact O-N 3.5Å; S503-A505 VanDerWaalsContact O-N 3.1Å
506Q32.3Very low45.4Very low166 Ų166107.8 Ų107.878%0.77664%0.643SS**THydrogen-bonded Turntrans-134.4-19-170.7-76.4-168.8-12.600119.1S503S503-Q506 PolarHBondContact O-N 3.46Å; S503-Q506 VanDerWaalsContact O-N 3.13Å
507N31.6Very low46.6Very low130 Ų130109.4 Ų109.470%0.69565%0.652SS**  trans-148.9105.8177.6-71.9-57.5000112.5V509N507-V509 VanDerWaalsContact C-N 3.27Å; N507-V509 HydrophobicContact CB-CG2 3.98Å; N507-V509 PolarHBondContact O-N 2.98Å
508G36.3Very low48.4Very low90 Ų90109 Ų10993%0.92865%0.646SS**  trans-70.983.3163.700000109.9
509V32.8Very low50.3Low108 Ų108108 Ų10866%0.65563%0.625SS**  trans-95.3109.6170.3-170.80000107.7N507 F511N507-V509 VanDerWaalsContact C-N 3.27Å; N507-V509 HydrophobicContact CB-CG2 3.98Å; N507-V509 PolarHBondContact O-N 2.98Å; V509-F511 PolarHBondContact O-N 2.75Å
510E35.5Very low52.3Low174 Ų174106 Ų10681%0.81362%0.615SS**  trans-56.7115.4166.7-71.1178156.500108.8E512E510-E512 VanDerWaalsContact C-N 3.34Å; E510-E512 PolarHBondContact O-N 2.95Å; E510-E512 VanDerWaalsContact O-N 3.07Å
511F37.9Very low54.3Low205 Ų205103.3 Ų103.390%0.89960%0.6SS**  trans-75.592.4165.3-91.6-89.2000108.1V509 G513V509-F511 PolarHBondContact O-N 2.75Å; F511-G513 PolarHBondContact O-N 3.16Å
512E34.5Very low56.5Low186 Ų186101.8 Ų101.887%0.86959%0.59SS**  trans-64.5111.6159.4-78.4-170148.400109.1E510E510-E512 VanDerWaalsContact C-N 3.34Å; E510-E512 PolarHBondContact O-N 2.95Å; E510-E512 VanDerWaalsContact O-N 3.07Å
513G36.9Very low58.9Low64 Ų6498.1 Ų98.166%0.6656%0.56SS**  trans-172.689.5177.200000111.5F511 N515F511-G513 PolarHBondContact O-N 3.16Å; G513-N515 PolarHBondContact O-N 2.82Å
514N39.7Very low61.5Low182 Ų18297.7 Ų97.797%0.97355%0.552SS**  trans-70.855.7-179.2-125-10.3000112.7
515N55Low64.2Low132 Ų13294.4 Ų94.471%0.70653%0.529SS*.SBendtrans-137.3102.6170.5-127.6-10.2000107.5G513 D517G513-N515 PolarHBondContact O-N 2.82Å; N515-D517 PolarHBondContact O-N 3.31Å
516E70.4Confident67.1Low116 Ų11690.4 Ų90.454%0.54250%0.495SS..  trans-55.4126.4178.9-68.1178.3171.500110.1K489 Y518K489-E516 PolarHBondContact NZ-O 3.42Å; E516-Y518 HydrophobicContact CB-CD1 4.34Å; E516-Y518 HydrophobicContact CB-CD2 4.5Å; E516-Y518 HydrophobicContact CB-CE1 4.09Å; E516-Y518 HydrophobicContact CB-CE2 4.29Å; E516-Y518 HydrophobicContact CG-CE1 4.31Å; E516-Y518 HydrophobicContact CG-CE2 4.45Å; E516-Y518 PolarHBondContact O-N 3.22Å; E516-Y518 PolarHBondContact OE1-OH 3.38Å; E516-Y518 WeakPolarHBondContact OE2-CE2 3.43Å
517D87.1Confident70.3Confident82 Ų8282.5 Ų82.544%0.43946%0.459SS..SBendtrans-69.52.6179.9-74.6-35.4000113.3R488 K489 N515R488-D517 WeakPolarHBondContact CD-O 3.33Å; K489-D517 PolarHBondContact N-O 2.89Å; N515-D517 PolarHBondContact O-N 3.31Å
518Y94.1Very high73.5Confident29 Ų2977.7 Ų77.711%0.11443%0.433CS..EExtended strand (participates in β ladder)trans-130.1161-177.959-96.2000111.9I462 P463 K466 Y486 F487 K489 E516I462-Y518 HydrophobicContact CB-CD1 4.41Å; I462-Y518 HydrophobicContact CB-CG 4.49Å; I462-Y518 HydrophobicContact CG2-CD1 4.34Å; I462-Y518 HydrophobicContact CG2-CG 4.17Å; P463-Y518 HydrophobicContact CG-CD1 4.45Å; P463-Y518 HydrophobicContact CG-CE1 3.66Å; K466-Y518 HydrophobicContact CG-CE2 4.21Å; Y486-Y518 AromaticContact CD1-CD2 3.74Å; Y486-Y518 HydrophobicContact CD1-CD2 3.74Å; Y486-Y518 AromaticContact CD1-CE2 3.84Å; Y486-Y518 HydrophobicContact CD1-CE2 3.84Å; Y486-Y518 HydrophobicContact CE1-CD2 4.44Å; Y486-Y518 HydrophobicContact CE1-CE2 4.18Å; F487-Y518 CarbonylContact O-C 3.49Å; F487-Y518 WeakPolarHBondContact O-CA 3.22Å; F487-Y518 WeakPolarHBondContact O-CB 3.42Å; K489-Y518 WeakPolarHBondContact CE-O 3.46Å; K489-Y518 PolarHBondContact NZ-O 3.1Å; E516-Y518 HydrophobicContact CB-CD1 4.34Å; E516-Y518 HydrophobicContact CB-CD2 4.5Å; E516-Y518 HydrophobicContact CB-CE1 4.09Å; E516-Y518 HydrophobicContact CB-CE2 4.29Å; E516-Y518 HydrophobicContact CG-CE1 4.31Å; E516-Y518 HydrophobicContact CG-CE2 4.45Å; E516-Y518 PolarHBondContact O-N 3.22Å; E516-Y518 PolarHBondContact OE1-OH 3.38Å; E516-Y518 WeakPolarHBondContact OE2-CE2 3.43Å
519T95.9Very high76.4Confident52 Ų5274.3 Ų74.332%0.31940%0.398SS..EExtended strand (participates in β ladder)trans-149.6162.4176.9-175.20000110.6Y486 F487 K489 M521Y486-T519 CarbonylContact C-O 3.48Å; Y486-T519 WeakPolarHBondContact CA-O 3.46Å; F487-T519 PolarHBondContact N-O 3.05Å; F487-T519 PolarHBondContact O-N 2.91Å; K489-T519 HydrophobicContact CG-CG2 3.7Å; T519-M521 HydrophobicContact CG2-CE 3.32Å; T519-M521 HydrophobicContact CG2-CG 3.85Å; T519-M521 HydrophobicContact CG2-SD 4.44Å
520L97.8Very high79.4Confident75 Ų7575.1 Ų75.139%0.39339%0.393SS..EExtended strand (participates in β ladder)trans-69.5131.7167.3-73.1171.7000110.7M484 F485 Y486M484-L520 HydrophobicContact CB-CB 4.31Å; M484-L520 HydrophobicContact CB-CD2 4.11Å; M484-L520 HydrophobicContact CE-CB 4.08Å; F485-L520 CarbonylContact O-C 3.56Å; F485-L520 WeakPolarHBondContact O-CA 3.44Å; Y486-L520 HydrophobicContact CD1-CD2 4.05Å; Y486-L520 HydrophobicContact CD1-CG 4.24Å; Y486-L520 HydrophobicContact CD2-CD2 3.76Å; Y486-L520 HydrophobicContact CE1-CD2 4.06Å; Y486-L520 HydrophobicContact CE1-CG 4.04Å; Y486-L520 HydrophobicContact CE2-CD2 3.72Å; Y486-L520 HydrophobicContact CE2-CG 4.49Å; Y486-L520 HydrophobicContact CG-CD2 3.93Å
521M98.2Very high82.1Confident6 Ų676.2 Ų76.23%0.0340%0.398CS..EExtended strand (participates in β ladder)trans-137.9149174.6-60.3-168.8-169.700110.4F485 F487 T519 T525 I526 F534F485-M521 PolarHBondContact N-O 2.68Å; F485-M521 PolarHBondContact O-N 2.73Å; F487-M521 HydrophobicContact CB-CG 4.47Å; F487-M521 HydrophobicContact CB-SD 4.39Å; T519-M521 HydrophobicContact CG2-CE 3.32Å; T519-M521 HydrophobicContact CG2-CG 3.85Å; T519-M521 HydrophobicContact CG2-SD 4.44Å; M521-T525 HydrophobicContact CB-CG2 4.2Å; M521-T525 HydrophobicContact CG-CG2 4.29Å; M521-T525 HydrophobicContact SD-CG2 3.97Å; M521-I526 HydrophobicContact CB-CD1 4.06Å; M521-I526 HydrophobicContact CB-CG1 3.68Å; M521-I526 HydrophobicContact SD-CG1 4.24Å; M521-F534 HydrophobicContact CE-CB 4.02Å; M521-F534 HydrophobicContact CE-CD2 3.82Å; M521-F534 HydrophobicContact CE-CG 4Å; M521-F534 HydrophobicContact SD-CB 3.9Å; M521-F534 HydrophobicContact SD-CD1 4.19Å; M521-F534 HydrophobicContact SD-CD2 4.18Å; M521-F534 HydrophobicContact SD-CG 3.84Å
522S98.7Very high84.6Confident27 Ų2770.7 Ų70.719%0.18940%0.399CS..EExtended strand (participates in β ladder)trans-72158.8167.964.80000110.4D524 T525 I526S522-D524 PolarHBondContact O-N 2.79Å; S522-T525 WeakPolarHBondContact O-CB 3.42Å; S522-T525 PolarHBondContact O-N 3.15Å; S522-T525 VanDerWaalsContact O-N 3.08Å; S522-T525 PolarHBondContact OG-N 2.97Å; S522-T525 VanDerWaalsContact OG-N 3.14Å; S522-T525 PolarHBondContact OG-OG1 2.87Å; S522-I526 WeakPolarHBondContact O-CG1 3.11Å; S522-I526 PolarHBondContact O-N 3.28Å
523I98.7Very high87.2Confident0 Ų065.7 Ų65.70%038%0.381CS..Hα-helixtrans-57.6-40.1173.2-62.2-66.1000111.1I276 A279 L280 V480 F485 T525 I526 I527 A569I276-I523 HydrophobicContact CB-CD1 4.15Å; I276-I523 HydrophobicContact CD1-CD1 3.81Å; I276-I523 HydrophobicContact CG2-CD1 3.63Å; A279-I523 HydrophobicContact CB-CD1 4.33Å; A279-I523 HydrophobicContact CB-CG1 4.47Å; L280-I523 HydrophobicContact CD1-CG2 4.21Å; L280-I523 HydrophobicContact CD2-CG2 3.57Å; L280-I523 HydrophobicContact CG-CG2 3.73Å; V480-I523 HydrophobicContact CG2-CB 4.39Å; V480-I523 HydrophobicContact CG2-CG2 4.05Å; V480-I523 WeakPolarHBondContact O-CB 3.4Å; F485-I523 HydrophobicContact CD2-CD1 3.58Å; F485-I523 HydrophobicContact CD2-CG1 3.84Å; F485-I523 HydrophobicContact CE2-CD1 3.53Å; F485-I523 HydrophobicContact CE2-CG1 3.52Å; F485-I523 HydrophobicContact CG-CD1 4.19Å; F485-I523 HydrophobicContact CZ-CD1 4.08Å; F485-I523 HydrophobicContact CZ-CG1 4.32Å; I523-T525 VanDerWaalsContact C-N 3.33Å; I523-T525 PolarHBondContact O-N 2.74Å; I523-I526 PolarHBondContact O-N 3.34Å; I523-I527 HydrophobicContact CG2-CG1 3.9Å; I523-I527 WeakPolarHBondContact O-CB 3.41Å; I523-I527 VanDerWaalsContact O-CG1 3.27Å; I523-I527 WeakPolarHBondContact O-CG1 3.44Å; I523-I527 PolarHBondContact O-N 3.33Å; I523-A569 HydrophobicContact CG2-CB 3.96Å
524D98.8Very high90Very high60 Ų6063.3 Ų63.332%0.32135%0.352SS..Hα-helixtrans-57.3-45.6174.5-171.243.1000112S522 I526 I527 N528 A569 S570S522-D524 PolarHBondContact O-N 2.79Å; D524-I526 PolarHBondContact O-N 2.93Å; D524-I527 PolarHBondContact O-N 3.39Å; D524-N528 WeakPolarHBondContact O-CA 3.26Å; D524-N528 WeakPolarHBondContact O-CB 3.32Å; D524-N528 PolarHBondContact O-N 2.85Å; D524-N528 PolarHBondContact OD1-ND2 2.9Å; D524-A569 WeakPolarHBondContact CB-O 3.5Å; D524-S570 VanDerWaalsContact OD1-CA 3.25Å; D524-S570 WeakPolarHBondContact OD1-CA 3.34Å; D524-S570 WeakPolarHBondContact OD1-CB 3.36Å; D524-S570 PolarHBondContact OD1-N 2.93Å
525T98.6Very high92.6Very high14 Ų1459.3 Ų59.39%0.08633%0.328CS..Hα-helixtrans-63.4-43.4177.5-58.80000111.2M521 S522 I523 G529 K530 V533 F534M521-T525 HydrophobicContact CB-CG2 4.2Å; M521-T525 HydrophobicContact CG-CG2 4.29Å; M521-T525 HydrophobicContact SD-CG2 3.97Å; S522-T525 WeakPolarHBondContact O-CB 3.42Å; S522-T525 PolarHBondContact O-N 3.15Å; S522-T525 VanDerWaalsContact O-N 3.08Å; S522-T525 PolarHBondContact OG-N 2.97Å; S522-T525 VanDerWaalsContact OG-N 3.14Å; S522-T525 PolarHBondContact OG-OG1 2.87Å; I523-T525 VanDerWaalsContact C-N 3.33Å; I523-T525 PolarHBondContact O-N 2.74Å; T525-G529 WeakPolarHBondContact O-CA 3.25Å; T525-G529 PolarHBondContact O-N 2.87Å; T525-K530 HydrophobicContact CG2-CB 3.91Å; T525-V533 HydrophobicContact CG2-CG1 4.21Å; T525-F534 HydrophobicContact CG2-CB 4.1Å; T525-F534 WeakPolarHBondContact O-CD1 3.48Å
526I98.6Very high94.6Very high0 Ų053 Ų530%029%0.294CS..Hα-helixtrans-63.8-45.7179.3-67.3167.1000110.7I276 F485 F487 M521 S522 I523 D524 F534 G536 L537I276-I526 HydrophobicContact CD1-CD1 3.73Å; I276-I526 HydrophobicContact CG2-CG2 4.2Å; F485-I526 HydrophobicContact CB-CD1 4.09Å; F487-I526 HydrophobicContact CB-CD1 3.93Å; F487-I526 HydrophobicContact CB-CG1 4.14Å; F487-I526 HydrophobicContact CD1-CG1 4.11Å; F487-I526 HydrophobicContact CD1-CG2 4.29Å; F487-I526 HydrophobicContact CD2-CD1 3.86Å; F487-I526 HydrophobicContact CD2-CG1 4.26Å; F487-I526 HydrophobicContact CD2-CG2 4.25Å; F487-I526 HydrophobicContact CE1-CG2 4Å; F487-I526 HydrophobicContact CE2-CG2 3.96Å; F487-I526 HydrophobicContact CG-CD1 3.85Å; F487-I526 HydrophobicContact CG-CG1 3.9Å; F487-I526 HydrophobicContact CG-CG2 4.41Å; F487-I526 HydrophobicContact CZ-CG2 3.82Å; M521-I526 HydrophobicContact CB-CD1 4.06Å; M521-I526 HydrophobicContact CB-CG1 3.68Å; M521-I526 HydrophobicContact SD-CG1 4.24Å; S522-I526 WeakPolarHBondContact O-CG1 3.11Å; S522-I526 PolarHBondContact O-N 3.28Å; I523-I526 PolarHBondContact O-N 3.34Å; D524-I526 PolarHBondContact O-N 2.93Å; I526-F534 WeakPolarHBondContact O-CE1 3.22Å; I526-G536 WeakPolarHBondContact O-CA 3.29Å; I526-L537 HydrophobicContact CG2-CD1 3.72Å; I526-L537 HydrophobicContact CG2-CG 4.39Å; I526-L537 WeakPolarHBondContact O-CG 3.1Å; I526-L537 PolarHBondContact O-N 3.16Å
527I98.6Very high95.9Very high0 Ų047.7 Ų47.70%027%0.269CS..Hα-helixtrans-81.8-51.6-173-63.9-72.5000111.4L280 F445 I523 D524 L537 I538 I565 A569L280-I527 HydrophobicContact CD1-CD1 3.65Å; L280-I527 HydrophobicContact CD1-CG1 4.01Å; F445-I527 HydrophobicContact CZ-CD1 3.85Å; I523-I527 HydrophobicContact CG2-CG1 3.9Å; I523-I527 WeakPolarHBondContact O-CB 3.41Å; I523-I527 VanDerWaalsContact O-CG1 3.27Å; I523-I527 WeakPolarHBondContact O-CG1 3.44Å; I523-I527 PolarHBondContact O-N 3.33Å; D524-I527 PolarHBondContact O-N 3.39Å; I527-L537 HydrophobicContact CD1-CD1 3.98Å; I527-L537 PolarHBondContact O-N 3.15Å; I527-L537 VanDerWaalsContact O-N 3.1Å; I527-I538 HydrophobicContact CG2-CD1 4.32Å; I527-I538 HydrophobicContact CG2-CG1 3.57Å; I527-I538 WeakPolarHBondContact O-CB 3.36Å; I527-I538 WeakPolarHBondContact O-CG1 3.31Å; I527-I538 PolarHBondContact O-N 3.01Å; I527-I565 HydrophobicContact CD1-CG2 4.2Å; I527-I565 HydrophobicContact CG2-CG2 4.04Å; I527-A569 HydrophobicContact CB-CB 3.56Å; I527-A569 HydrophobicContact CG1-CB 3.82Å; I527-A569 HydrophobicContact CG2-CB 3.62Å
528N98.6Very high96.4Very high30 Ų3044.1 Ų44.116%0.1625%0.25CS..Hα-helixtrans-95.8-16.9-171.9-67.3-40.8000113.7D524 K566D524-N528 WeakPolarHBondContact O-CA 3.26Å; D524-N528 WeakPolarHBondContact O-CB 3.32Å; D524-N528 PolarHBondContact O-N 2.85Å; D524-N528 PolarHBondContact OD1-ND2 2.9Å; N528-K566 PolarHBondContact ND2-O 3.13Å; N528-K566 WeakPolarHBondContact OD1-CA 3.2Å; N528-K566 WeakPolarHBondContact OD1-CB 3.12Å; N528-K566 WeakPolarHBondContact OD1-CD 3.23Å; N528-K566 WeakPolarHBondContact OD1-CG 3.49Å
529G97.5Very high96.5Very high19 Ų1945.2 Ų45.220%0.19626%0.261CS..  trans84.6166.9-175.600000112.4T525 F534 G536T525-G529 WeakPolarHBondContact O-CA 3.25Å; T525-G529 PolarHBondContact O-N 2.87Å; G529-F534 CarbonylContact C-O 3.56Å; G529-F534 VanDerWaalsContact CA-O 3.25Å; G529-F534 WeakPolarHBondContact CA-O 3.25Å; G529-G536 VanDerWaalsContact CA-CA 3.44Å
530K96.2Very high96.5Very high125 Ų12542.9 Ų42.954%0.54325%0.246SC..BIsolated β-bridgetrans-147.8124.2172.7178.9174.3179.9177.60108.1T525 G532 V533 F534T525-K530 HydrophobicContact CG2-CB 3.91Å; K530-G532 PolarHBondContact O-N 2.9Å; K530-V533 HydrophobicContact CB-CB 4.03Å; K530-V533 HydrophobicContact CB-CG2 4.43Å; K530-V533 HydrophobicContact CD-CB 4.29Å; K530-V533 HydrophobicContact CD-CG2 3.93Å; K530-V533 HydrophobicContact CG-CB 4.09Å; K530-V533 HydrophobicContact CG-CG2 3.93Å; K530-V533 WeakPolarHBondContact O-CA 3.43Å; K530-V533 WeakPolarHBondContact O-CB 3.48Å; K530-V533 PolarHBondContact O-N 3.39Å; K530-F534 PolarHBondContact N-O 3.38Å; K530-F534 PolarHBondContact O-N 2.89Å; K530-F534 VanDerWaalsContact O-O 3.12Å
531E92.6Very high96.5Very high196 Ų19639.4 Ų39.492%0.91623%0.228SC*.THydrogen-bonded Turntrans-52.8133.3-176.4-171.6177.9-177.500111.4V533E531-V533 PolarHBondContact O-N 2.84Å; E531-V533 VanDerWaalsContact O-N 3.14Å
532G89.1Confident96.4Very high89 Ų8941.2 Ų41.292%0.91824%0.238SC*.THydrogen-bonded Turntrans70.2-1.6-176.700000115.5K530K530-G532 PolarHBondContact O-N 2.9Å
533V90.8Very high96.2Very high81 Ų8142.2 Ų42.249%0.49124%0.244SC..THydrogen-bonded Turntrans-116.4-57.9-177.8179.70000111.5T525 K530 E531T525-V533 HydrophobicContact CG2-CG1 4.21Å; K530-V533 HydrophobicContact CB-CB 4.03Å; K530-V533 HydrophobicContact CB-CG2 4.43Å; K530-V533 HydrophobicContact CD-CB 4.29Å; K530-V533 HydrophobicContact CD-CG2 3.93Å; K530-V533 HydrophobicContact CG-CB 4.09Å; K530-V533 HydrophobicContact CG-CG2 3.93Å; K530-V533 WeakPolarHBondContact O-CA 3.43Å; K530-V533 WeakPolarHBondContact O-CB 3.48Å; K530-V533 PolarHBondContact O-N 3.39Å; E531-V533 PolarHBondContact O-N 2.84Å; E531-V533 VanDerWaalsContact O-N 3.14Å
534F95.2Very high96Very high15 Ų1542.8 Ų42.87%0.06625%0.247CC..BIsolated β-bridgetrans-155.5141.5-176.4-171.8-112.1000110.7F487 M491 M521 T525 I526 G529 K530 G536F487-F534 HydrophobicContact CD1-CE2 4.44Å; F487-F534 HydrophobicContact CD1-CZ 4.05Å; F487-F534 HydrophobicContact CE1-CE1 4.21Å; F487-F534 HydrophobicContact CE1-CE2 4.42Å; F487-F534 AromaticContact CE1-CZ 3.7Å; F487-F534 HydrophobicContact CE1-CZ 3.7Å; M491-F534 HydrophobicContact CE-CD2 4.46Å; M491-F534 HydrophobicContact CE-CE1 4.47Å; M491-F534 HydrophobicContact CE-CE2 3.49Å; M491-F534 VanDerWaalsContact CE-CE2 3.49Å; M491-F534 HydrophobicContact CE-CZ 3.5Å; M491-F534 VanDerWaalsContact CE-CZ 3.5Å; M491-F534 HydrophobicContact CG-CE2 4.1Å; M491-F534 HydrophobicContact CG-CZ 4.24Å; M491-F534 HydrophobicContact SD-CE2 3.74Å; M491-F534 HydrophobicContact SD-CZ 3.38Å; M491-F534 WeakPolarHBondContact SD-CZ 3.43Å; M521-F534 HydrophobicContact CE-CB 4.02Å; M521-F534 HydrophobicContact CE-CD2 3.82Å; M521-F534 HydrophobicContact CE-CG 4Å; M521-F534 HydrophobicContact SD-CB 3.9Å; M521-F534 HydrophobicContact SD-CD1 4.19Å; M521-F534 HydrophobicContact SD-CD2 4.18Å; M521-F534 HydrophobicContact SD-CG 3.84Å; T525-F534 HydrophobicContact CG2-CB 4.1Å; T525-F534 WeakPolarHBondContact O-CD1 3.48Å; I526-F534 WeakPolarHBondContact O-CE1 3.22Å; G529-F534 CarbonylContact C-O 3.56Å; G529-F534 VanDerWaalsContact CA-O 3.25Å; G529-F534 WeakPolarHBondContact CA-O 3.25Å; K530-F534 PolarHBondContact N-O 3.38Å; K530-F534 PolarHBondContact O-N 2.89Å; K530-F534 VanDerWaalsContact O-O 3.12Å; F534-G536 VanDerWaalsContact C-N 3.3Å; F534-G536 PolarHBondContact O-N 2.96Å
535Q94.4Very high95.8Very high98 Ų9840 Ų4046%0.45823%0.232SC..  trans-66.4-32.4-176.4-175.5176.2-1.200112.7P539 I540Q535-P539 HydrophobicContact CG-CB 4.36Å; Q535-P539 VanDerWaalsContact O-CG 3.26Å; Q535-P539 WeakPolarHBondContact O-CG 3.48Å; Q535-I540 HydrophobicContact CB-CD1 4.47Å; Q535-I540 HydrophobicContact CG-CD1 4.4Å; Q535-I540 HydrophobicContact CG-CG1 4Å
536G96.6Very high95.4Very high0 Ų045.1 Ų45.10%026%0.255CS..  trans85.6145.6-174.300000112.9I526 G529 F534 P539 I540I526-G536 WeakPolarHBondContact O-CA 3.29Å; G529-G536 VanDerWaalsContact CA-CA 3.44Å; F534-G536 VanDerWaalsContact C-N 3.3Å; F534-G536 PolarHBondContact O-N 2.96Å; G536-P539 WeakPolarHBondContact O-CD 3.49Å; G536-I540 WeakPolarHBondContact O-CD1 3.37Å; G536-I540 VanDerWaalsContact O-CG1 3.32Å; G536-I540 WeakPolarHBondContact O-CG1 3.47Å; G536-I540 PolarHBondContact O-N 2.99Å
537L97.8Very high95Very high3 Ų350.6 Ų50.62%0.01628%0.284CS..Hα-helixtrans-69.7-41.7-179.9-63.9167.1000112.4F273 F445 L449 F460 I526 I527 I540 L541F273-L537 HydrophobicContact CD1-CD1 4.3Å; F273-L537 HydrophobicContact CE1-CD1 3.62Å; F273-L537 HydrophobicContact CE1-CD2 4Å; F273-L537 HydrophobicContact CE1-CG 4.47Å; F273-L537 HydrophobicContact CZ-CD2 4.28Å; F445-L537 HydrophobicContact CZ-CD1 4.4Å; L449-L537 HydrophobicContact CD1-CD2 4.26Å; F460-L537 HydrophobicContact CE1-CD2 3.85Å; F460-L537 HydrophobicContact CZ-CD2 3.88Å; I526-L537 HydrophobicContact CG2-CD1 3.72Å; I526-L537 HydrophobicContact CG2-CG 4.39Å; I526-L537 WeakPolarHBondContact O-CG 3.1Å; I526-L537 PolarHBondContact O-N 3.16Å; I527-L537 HydrophobicContact CD1-CD1 3.98Å; I527-L537 PolarHBondContact O-N 3.15Å; I527-L537 VanDerWaalsContact O-N 3.1Å; L537-I540 PolarHBondContact O-N 3.26Å; L537-I540 VanDerWaalsContact O-N 3.12Å; L537-L541 VanDerWaalsContact O-CG 3.3Å; L537-L541 WeakPolarHBondContact O-CG 3.4Å; L537-L541 PolarHBondContact O-N 3.15Å
538I97.9Very high94.5Very high8 Ų853.9 Ų53.94%0.04130%0.3CS..Hα-helixtrans-61.6-45.5-179.4-63.8-70.4000111.4F445 I527 I540 L541 N542 L562 K566F445-I538 HydrophobicContact CE2-CD1 4.41Å; I527-I538 HydrophobicContact CG2-CD1 4.32Å; I527-I538 HydrophobicContact CG2-CG1 3.57Å; I527-I538 WeakPolarHBondContact O-CB 3.36Å; I527-I538 WeakPolarHBondContact O-CG1 3.31Å; I527-I538 PolarHBondContact O-N 3.01Å; I538-I540 VanDerWaalsContact C-N 3.31Å; I538-I540 PolarHBondContact O-N 2.82Å; I538-L541 HydrophobicContact CD1-CD1 4.37Å; I538-L541 PolarHBondContact O-N 2.78Å; I538-N542 PolarHBondContact O-N 2.93Å; I538-N542 PolarHBondContact O-ND2 3.17Å; I538-L562 HydrophobicContact CD1-CB 4.02Å; I538-L562 HydrophobicContact CD1-CD2 3.88Å; I538-L562 HydrophobicContact CD1-CG 4.37Å; I538-K566 HydrophobicContact CG1-CB 4.43Å
539P96.8Very high93.9Very high51 Ų5161.9 Ų61.933%0.33134%0.337SS..Hα-helixtrans-55.4-41.2170.8-32.340.7000114.2Q535 G536 N542 C543Q535-P539 HydrophobicContact CG-CB 4.36Å; Q535-P539 VanDerWaalsContact O-CG 3.26Å; Q535-P539 WeakPolarHBondContact O-CG 3.48Å; G536-P539 WeakPolarHBondContact O-CD 3.49Å; P539-N542 PolarHBondContact O-N 3.3Å; P539-C543 PolarHBondContact O-N 2.91Å
540I95.8Very high93.5Very high4 Ų462.2 Ų62.22%0.02133%0.334CS..Hα-helixtrans-67.5-45.2178.4-63.7165.9000111.1V452 Y456 L458 M491 Q535 G536 L537 I538 N542 C543 Y544V452-I540 HydrophobicContact CG1-CG2 3.66Å; Y456-I540 HydrophobicContact CD2-CG2 4.11Å; Y456-I540 HydrophobicContact CE2-CG2 4.2Å; L458-I540 HydrophobicContact CD1-CG2 4.22Å; M491-I540 HydrophobicContact CE-CD1 3.3Å; M491-I540 HydrophobicContact SD-CD1 3.91Å; Q535-I540 HydrophobicContact CB-CD1 4.47Å; Q535-I540 HydrophobicContact CG-CD1 4.4Å; Q535-I540 HydrophobicContact CG-CG1 4Å; G536-I540 WeakPolarHBondContact O-CD1 3.37Å; G536-I540 VanDerWaalsContact O-CG1 3.32Å; G536-I540 WeakPolarHBondContact O-CG1 3.47Å; G536-I540 PolarHBondContact O-N 2.99Å; L537-I540 PolarHBondContact O-N 3.26Å; L537-I540 VanDerWaalsContact O-N 3.12Å; I538-I540 VanDerWaalsContact C-N 3.31Å; I538-I540 PolarHBondContact O-N 2.82Å; I540-N542 VanDerWaalsContact C-N 3.31Å; I540-N542 PolarHBondContact O-N 3.08Å; I540-C543 WeakPolarHBondContact O-CB 3.47Å; I540-C543 PolarHBondContact O-N 2.93Å; I540-Y544 PolarHBondContact O-N 3.15Å
541L96.4Very high93.3Very high1 Ų159.8 Ų59.81%0.00533%0.328CS..Hα-helixtrans-59.9-41.9176.7-68.6176.4000111.3F445 L448 V452 L537 I538 Y544 L545 L562F445-L541 HydrophobicContact CD2-CD1 3.8Å; F445-L541 HydrophobicContact CE2-CD1 3.63Å; L448-L541 HydrophobicContact CB-CD2 4.4Å; L448-L541 HydrophobicContact CD2-CB 4.14Å; L448-L541 HydrophobicContact CD2-CD1 4.34Å; L448-L541 HydrophobicContact CD2-CD2 3.92Å; L448-L541 HydrophobicContact CD2-CG 4.35Å; L448-L541 HydrophobicContact CG-CD2 3.78Å; V452-L541 HydrophobicContact CB-CD2 4.03Å; V452-L541 HydrophobicContact CG1-CD2 4.45Å; V452-L541 HydrophobicContact CG2-CD2 3.51Å; L537-L541 VanDerWaalsContact O-CG 3.3Å; L537-L541 WeakPolarHBondContact O-CG 3.4Å; L537-L541 PolarHBondContact O-N 3.15Å; I538-L541 HydrophobicContact CD1-CD1 4.37Å; I538-L541 PolarHBondContact O-N 2.78Å; L541-Y544 WeakPolarHBondContact O-CB 3.3Å; L541-Y544 PolarHBondContact O-N 3.16Å; L541-L545 VanDerWaalsContact O-CG 3.3Å; L541-L545 WeakPolarHBondContact O-CG 3.4Å; L541-L545 PolarHBondContact O-N 3.33Å; L541-L562 HydrophobicContact CB-CD1 4.23Å; L541-L562 HydrophobicContact CD1-CD2 3.86Å
542N95.7Very high93.2Very high45 Ų4555.7 Ų55.724%0.24132%0.316CS..Hα-helixtrans-64.1-42.1176-74.4-35.4000112.2I538 P539 I540 Y544 L545 E546 L559I538-N542 PolarHBondContact O-N 2.93Å; I538-N542 PolarHBondContact O-ND2 3.17Å; P539-N542 PolarHBondContact O-N 3.3Å; I540-N542 VanDerWaalsContact C-N 3.31Å; I540-N542 PolarHBondContact O-N 3.08Å; N542-Y544 VanDerWaalsContact C-N 3.29Å; N542-Y544 PolarHBondContact O-N 2.99Å; N542-L545 PolarHBondContact O-N 3.34Å; N542-E546 WeakPolarHBondContact O-CG 3.23Å; N542-E546 PolarHBondContact O-N 3.05Å; N542-L559 WeakPolarHBondContact OD1-CD2 3.32Å
543C94.7Very high93.3Very high48 Ų4855.5 Ų55.532%0.32429%0.294SS..Hα-helixtrans-60.7-40174.9-173.90000111.6P539 I540 E546 N547P539-C543 PolarHBondContact O-N 2.91Å; I540-C543 WeakPolarHBondContact O-CB 3.47Å; I540-C543 PolarHBondContact O-N 2.93Å; C543-E546 PolarHBondContact O-N 3.26Å; C543-N547 PolarHBondContact O-N 2.82Å; C543-N547 PolarHBondContact O-ND2 3.32Å
544Y94.6Very high93.5Very high12 Ų1251.6 Ų51.65%0.04727%0.27CS..Hα-helixtrans-62.2-45.7173.6177.3-108.1000112.6M114 L448 R451 V452 S455 Y456 I540 L541 N542 E546 N547 M548M114-Y544 HydrophobicContact CE-CD1 4.38Å; M114-Y544 HydrophobicContact CE-CE1 3.56Å; L448-Y544 HydrophobicContact CD1-CD1 3.94Å; L448-Y544 HydrophobicContact CD1-CE1 3.88Å; R451-Y544 HydrophobicContact CB-CE1 4.12Å; R451-Y544 PolarHBondContact NE-OH 3.24Å; V452-Y544 HydrophobicContact CG2-CD1 3.47Å; V452-Y544 VanDerWaalsContact CG2-CD1 3.47Å; V452-Y544 HydrophobicContact CG2-CD2 4.02Å; V452-Y544 HydrophobicContact CG2-CE1 4.08Å; V452-Y544 HydrophobicContact CG2-CG 3.42Å; V452-Y544 VanDerWaalsContact CG2-CG 3.42Å; S455-Y544 VanDerWaalsContact OG-CE2 3.31Å; S455-Y544 WeakPolarHBondContact OG-CE2 2.79Å; S455-Y544 PolarHBondContact OG-OH 3.37Å; Y456-Y544 HydrophobicContact CE1-CD2 4.24Å; Y456-Y544 HydrophobicContact CE2-CD2 4.46Å; Y456-Y544 VanDerWaalsContact OH-CA 3.25Å; Y456-Y544 WeakPolarHBondContact OH-CA 3.44Å; Y456-Y544 PolarHBondContact OH-N 3.06Å; I540-Y544 PolarHBondContact O-N 3.15Å; L541-Y544 WeakPolarHBondContact O-CB 3.3Å; L541-Y544 PolarHBondContact O-N 3.16Å; N542-Y544 VanDerWaalsContact C-N 3.29Å; N542-Y544 PolarHBondContact O-N 2.99Å; Y544-E546 VanDerWaalsContact C-N 3.28Å; Y544-E546 PolarHBondContact O-N 2.75Å; Y544-N547 PolarHBondContact O-N 3Å; Y544-M548 HydrophobicContact CD1-CG 4.19Å; Y544-M548 HydrophobicContact CD2-CG 4.23Å; Y544-M548 HydrophobicContact CE1-CG 3.91Å; Y544-M548 HydrophobicContact CE1-SD 4Å; Y544-M548 HydrophobicContact CE2-CG 3.92Å; Y544-M548 HydrophobicContact CE2-SD 3.84Å; Y544-M548 HydrophobicContact CG-CG 4.35Å; Y544-M548 WeakPolarHBondContact O-CG 3.48Å; Y544-M548 PolarHBondContact O-N 3.33Å; Y544-M548 PolarHBondContact OH-SD 2.95Å
545L94.2Very high93.4Very high1 Ų155.2 Ų55.21%0.00528%0.283CS..Hα-helixtrans-65.7-29.1178.4-67.2168.8000113.1M114 L448 L541 N542 N547 V550 I558 L562M114-L545 HydrophobicContact CE-CD2 4.44Å; L448-L545 HydrophobicContact CD1-CD2 4.03Å; L448-L545 HydrophobicContact CD2-CD1 4.09Å; L448-L545 HydrophobicContact CD2-CD2 4.3Å; L448-L545 HydrophobicContact CD2-CG 4.31Å; L541-L545 VanDerWaalsContact O-CG 3.3Å; L541-L545 WeakPolarHBondContact O-CG 3.4Å; L541-L545 PolarHBondContact O-N 3.33Å; N542-L545 PolarHBondContact O-N 3.34Å; L545-N547 VanDerWaalsContact C-N 3.33Å; L545-V550 HydrophobicContact CD2-CG2 4.36Å; L545-I558 HydrophobicContact CD1-CG2 3.58Å; L545-I558 HydrophobicContact CD2-CD1 3.95Å; L545-I558 HydrophobicContact CD2-CG2 4.33Å; L545-L562 HydrophobicContact CD1-CD1 4.07Å
546E92.1Very high93.3Very high122 Ų12252.7 Ų52.757%0.5728%0.276SS*.Hα-helixtrans-69.4-31.1174.2-78.1170.6-17700113N542 C543 Y544 R555N542-E546 WeakPolarHBondContact O-CG 3.23Å; N542-E546 PolarHBondContact O-N 3.05Å; C543-E546 PolarHBondContact O-N 3.26Å; Y544-E546 VanDerWaalsContact C-N 3.28Å; Y544-E546 PolarHBondContact O-N 2.75Å; E546-R555 VanDerWaalsContact CG-NH2 3.28Å
547N89.4Confident93.3Very high115 Ų11553.7 Ų53.762%0.61528%0.282SS*.Hα-helixtrans-90.9-5.9-179.8-68.6-55.3000113.4C543 Y544 L545C543-N547 PolarHBondContact O-N 2.82Å; C543-N547 PolarHBondContact O-ND2 3.32Å; Y544-N547 PolarHBondContact O-N 3Å; L545-N547 VanDerWaalsContact C-N 3.33Å
548M88.5Confident93.2Very high69 Ų6953.5 Ų53.534%0.3428%0.281SS..SBendtrans-99.7143.5179.2-70.7-99.577.200110.7M114 Y544 V550M114-M548 HydrophobicContact CE-CB 3.85Å; M114-M548 HydrophobicContact CE-CG 3.6Å; M114-M548 HydrophobicContact CE-SD 3.42Å; M114-M548 WeakPolarHBondContact CE-SD 3.33Å; Y544-M548 HydrophobicContact CD1-CG 4.19Å; Y544-M548 HydrophobicContact CD2-CG 4.23Å; Y544-M548 HydrophobicContact CE1-CG 3.91Å; Y544-M548 HydrophobicContact CE1-SD 4Å; Y544-M548 HydrophobicContact CE2-CG 3.92Å; Y544-M548 HydrophobicContact CE2-SD 3.84Å; Y544-M548 HydrophobicContact CG-CG 4.35Å; Y544-M548 WeakPolarHBondContact O-CG 3.48Å; Y544-M548 PolarHBondContact O-N 3.33Å; Y544-M548 PolarHBondContact OH-SD 2.95Å; M548-V550 HydrophobicContact CB-CG2 3.71Å; M548-V550 PolarHBondContact O-N 2.61Å
549E85.9Confident93.1Very high198 Ų19856.4 Ų56.493%0.92530%0.296SS*.  trans-72.492.6167-68.1-175.4173.700109.2
550V89.2Confident93Very high25 Ų2555.7 Ų55.715%0.15229%0.29CS..  trans-116.7128177.2-169.80000108.3M114 L545 M548 T554 R555M114-V550 HydrophobicContact CB-CG1 4.31Å; M114-V550 HydrophobicContact CB-CG2 4.39Å; M114-V550 HydrophobicContact CE-CG2 4.21Å; M114-V550 HydrophobicContact CG-CG2 4.01Å; M114-V550 HydrophobicContact SD-CG2 4.32Å; L545-V550 HydrophobicContact CD2-CG2 4.36Å; M548-V550 HydrophobicContact CB-CG2 3.71Å; M548-V550 PolarHBondContact O-N 2.61Å; V550-T554 HydrophobicContact CG1-CG2 3.57Å; V550-R555 HydrophobicContact CG1-CB 4.01Å
551D92.1Very high93.1Very high75 Ų7555.8 Ų55.840%0.40129%0.29SS..  trans-63.2154.1173.669.388.7000110.9D553 T554 R555D551-D553 PolarHBondContact O-N 2.71Å; D551-D553 WeakPolarHBondContact OD1-CB 3.41Å; D551-D553 PolarHBondContact OD1-N 3.41Å; D551-D553 VanDerWaalsContact OD1-N 3.12Å; D551-T554 PolarHBondContact O-N 2.8Å; D551-T554 PolarHBondContact OD1-N 3.16Å; D551-T554 PolarHBondContact OD1-OG1 3.12Å; D551-T554 VanDerWaalsContact OD1-OG1 3.13Å; D551-T554 WeakPolarHBondContact OD2-CB 3.05Å; D551-T554 PolarHBondContact OD2-OG1 2.7Å; D551-R555 WeakPolarHBondContact O-CB 3.26Å; D551-R555 PolarHBondContact O-N 3.39Å
552V90.4Very high93.2Very high109 Ų10956 Ų5666%0.66129%0.291SS*.Hα-helixtrans-58.3-36.1-173.7178.20000111.5R555 C556V552-R555 PolarHBondContact O-N 2.86Å; V552-C556 WeakPolarHBondContact O-CB 3.47Å; V552-C556 PolarHBondContact O-N 2.84Å; V552-C556 PolarHBondContact O-SG 3.2Å; V552-C556 VanDerWaalsContact O-SG 3.32Å
553D91.2Very high93.3Very high85 Ų8558.9 Ų58.946%0.45530%0.301SS..Hα-helixtrans-70.3-50.9-175.8-67.5-20000111D551 R555 C556 T557 R628D551-D553 PolarHBondContact O-N 2.71Å; D551-D553 WeakPolarHBondContact OD1-CB 3.41Å; D551-D553 PolarHBondContact OD1-N 3.41Å; D551-D553 VanDerWaalsContact OD1-N 3.12Å; D553-R555 VanDerWaalsContact C-N 3.31Å; D553-R555 PolarHBondContact O-N 3.16Å; D553-C556 PolarHBondContact O-N 3.45Å; D553-T557 PolarHBondContact O-N 2.68Å; D553-T557 PolarHBondContact O-OG1 3.5Å; D553-R628 VanDerWaalsContact CB-NH1 3.27Å; D553-R628 IonicContact OD1-CZ 2.72Å; D553-R628 IonicContact OD1-NH1 3.14Å; D553-R628 PolarHBondContact OD1-NH1 3.08Å; D553-R628 IonicContact OD1-NH2 3.71Å; D553-R628 PolarHBondContact OD1-NH2 3.24Å; D553-R628 IonicContact OD2-NH1 2.62Å
554T93.8Very high93.5Very high0 Ų056.8 Ų56.80%029%0.287CS..Hα-helixtrans-55.9-45172.5-60.10000111.7M114 F117 N118 V550 D551 C556 T557 I558M114-T554 HydrophobicContact CB-CG2 4.27Å; M114-T554 WeakPolarHBondContact O-CG2 3.3Å; F117-T554 HydrophobicContact CB-CG2 4.38Å; N118-T554 WeakPolarHBondContact ND2-CA 3.41Å; N118-T554 PolarHBondContact ND2-N 3.41Å; N118-T554 PolarHBondContact ND2-OG1 3.24Å; N118-T554 WeakPolarHBondContact OD1-CA 3.15Å; V550-T554 HydrophobicContact CG1-CG2 3.57Å; D551-T554 PolarHBondContact O-N 2.8Å; D551-T554 PolarHBondContact OD1-N 3.16Å; D551-T554 PolarHBondContact OD1-OG1 3.12Å; D551-T554 VanDerWaalsContact OD1-OG1 3.13Å; D551-T554 WeakPolarHBondContact OD2-CB 3.05Å; D551-T554 PolarHBondContact OD2-OG1 2.7Å; T554-C556 PolarHBondContact O-N 3Å; T554-T557 PolarHBondContact O-N 2.85Å; T554-I558 HydrophobicContact CG2-CD1 3.78Å; T554-I558 HydrophobicContact CG2-CG1 4.39Å; T554-I558 WeakPolarHBondContact O-CG1 3.46Å; T554-I558 PolarHBondContact O-N 3.32Å
555R93.9Very high93.7Very high90 Ų9056.2 Ų56.234%0.3429%0.285SS..Hα-helixtrans-61.9-43179.4-172.6170.4-179.5167.80111.6E546 V550 D551 V552 D553 I558 L559E546-R555 VanDerWaalsContact CG-NH2 3.28Å; V550-R555 HydrophobicContact CG1-CB 4.01Å; D551-R555 WeakPolarHBondContact O-CB 3.26Å; D551-R555 PolarHBondContact O-N 3.39Å; V552-R555 PolarHBondContact O-N 2.86Å; D553-R555 VanDerWaalsContact C-N 3.31Å; D553-R555 PolarHBondContact O-N 3.16Å; R555-I558 PolarHBondContact O-N 3.3Å; R555-L559 HydrophobicContact CG-CD1 4.09Å; R555-L559 HydrophobicContact CG-CG 4.46Å; R555-L559 WeakPolarHBondContact O-CB 3.32Å; R555-L559 WeakPolarHBondContact O-CG 3.41Å; R555-L559 PolarHBondContact O-N 2.76Å
556C93.1Very high93.9Very high45 Ų4561.3 Ų61.330%0.30431%0.307SS..Hα-helixtrans-61.4-43.2175.7-76.10000112.5V552 D553 T554 L559 N560 R628V552-C556 WeakPolarHBondContact O-CB 3.47Å; V552-C556 PolarHBondContact O-N 2.84Å; V552-C556 PolarHBondContact O-SG 3.2Å; V552-C556 VanDerWaalsContact O-SG 3.32Å; D553-C556 PolarHBondContact O-N 3.45Å; T554-C556 PolarHBondContact O-N 3Å; C556-L559 PolarHBondContact O-N 2.92Å; C556-N560 PolarHBondContact O-N 2.75Å; C556-R628 PolarHBondContact SG-NH2 3.31Å; C556-R628 VanDerWaalsContact SG-NH2 3.44Å
557T94.8Very high94.2Very high21 Ų2157.6 Ų57.613%0.12929%0.289CS..Hα-helixtrans-60.9-51177.4-610000111.3N118 D553 T554 L559 N560 Y561N118-T557 WeakPolarHBondContact OD1-CB 3.37Å; N118-T557 WeakPolarHBondContact OD1-CG2 3.5Å; N118-T557 PolarHBondContact OD1-OG1 3.11Å; D553-T557 PolarHBondContact O-N 2.68Å; D553-T557 PolarHBondContact O-OG1 3.5Å; T554-T557 PolarHBondContact O-N 2.85Å; T557-L559 VanDerWaalsContact C-N 3.32Å; T557-L559 PolarHBondContact O-N 3.12Å; T557-N560 WeakPolarHBondContact O-CB 3.38Å; T557-N560 PolarHBondContact O-N 3.44Å; T557-N560 VanDerWaalsContact O-N 3.13Å; T557-Y561 HydrophobicContact CG2-CD2 4.01Å; T557-Y561 HydrophobicContact CG2-CE2 3.33Å; T557-Y561 PolarHBondContact O-N 2.84Å; T557-Y561 VanDerWaalsContact O-N 3.11Å
558I96.3Very high94.6Very high0 Ų052.1 Ų52.10%026%0.26CS..Hα-helixtrans-58.4-45178.1-65.4169000110.6F117 V444 L448 L545 T554 R555 N560 Y561 L562F117-I558 HydrophobicContact CB-CD1 4.15Å; F117-I558 HydrophobicContact CB-CG1 3.99Å; F117-I558 HydrophobicContact CD2-CD1 3.72Å; F117-I558 HydrophobicContact CD2-CG1 4.38Å; F117-I558 HydrophobicContact CE2-CD1 4.42Å; F117-I558 HydrophobicContact CG-CD1 4.11Å; F117-I558 HydrophobicContact CG-CG1 4.26Å; V444-I558 HydrophobicContact CG1-CG1 4.34Å; L448-I558 HydrophobicContact CD2-CG2 3.98Å; L545-I558 HydrophobicContact CD1-CG2 3.58Å; L545-I558 HydrophobicContact CD2-CD1 3.95Å; L545-I558 HydrophobicContact CD2-CG2 4.33Å; T554-I558 HydrophobicContact CG2-CD1 3.78Å; T554-I558 HydrophobicContact CG2-CG1 4.39Å; T554-I558 WeakPolarHBondContact O-CG1 3.46Å; T554-I558 PolarHBondContact O-N 3.32Å; R555-I558 PolarHBondContact O-N 3.3Å; I558-N560 VanDerWaalsContact C-N 3.3Å; I558-N560 PolarHBondContact O-N 3.39Å; I558-Y561 PolarHBondContact O-N 3.02Å; I558-Y561 VanDerWaalsContact O-N 3.16Å; I558-L562 HydrophobicContact CG2-CD1 3.97Å; I558-L562 HydrophobicContact CG2-CG 4.08Å; I558-L562 WeakPolarHBondContact O-CG 3.3Å; I558-L562 PolarHBondContact O-N 3.45Å
559L95.6Very high95.1Very high68 Ų6849 Ų4936%0.35624%0.244SC..Hα-helixtrans-63.2-34.3179.2-71.7174.4000112.9N542 R555 C556 T557 K563N542-L559 WeakPolarHBondContact OD1-CD2 3.32Å; R555-L559 HydrophobicContact CG-CD1 4.09Å; R555-L559 HydrophobicContact CG-CG 4.46Å; R555-L559 WeakPolarHBondContact O-CB 3.32Å; R555-L559 WeakPolarHBondContact O-CG 3.41Å; R555-L559 PolarHBondContact O-N 2.76Å; C556-L559 PolarHBondContact O-N 2.92Å; T557-L559 VanDerWaalsContact C-N 3.32Å; T557-L559 PolarHBondContact O-N 3.12Å; L559-K563 VanDerWaalsContact O-CB 3.29Å; L559-K563 WeakPolarHBondContact O-CB 3.25Å; L559-K563 PolarHBondContact O-N 2.77Å
560N96Very high95.7Very high37 Ų3742.1 Ų42.120%0.19822%0.218CC..Hα-helixtrans-65.9-41.9173.8-78.6-25.1000111.7F437 C556 T557 I558 K563 L564F437-N560 HydrophobicContact CE2-CB 4.48Å; C556-N560 PolarHBondContact O-N 2.75Å; T557-N560 WeakPolarHBondContact O-CB 3.38Å; T557-N560 PolarHBondContact O-N 3.44Å; T557-N560 VanDerWaalsContact O-N 3.13Å; I558-N560 VanDerWaalsContact C-N 3.3Å; I558-N560 PolarHBondContact O-N 3.39Å; N560-K563 WeakPolarHBondContact O-CB 3.36Å; N560-K563 PolarHBondContact O-N 3.29Å; N560-L564 PolarHBondContact O-N 2.97Å
561Y98.1Very high96.1Very high6 Ų642 Ų422%0.02422%0.222CC..Hα-helixtrans-65.2-47.2174.8-65-31.5000112.1E121 F437 A440 A441 V444 T557 I558 K563 L564 I565E121-Y561 VanDerWaalsContact CB-OH 3.23Å; E121-Y561 WeakPolarHBondContact CB-OH 3.44Å; E121-Y561 PolarHBondContact OE2-OH 2.8Å; F437-Y561 AromaticContact CD2-CD1 3.95Å; F437-Y561 HydrophobicContact CD2-CD1 3.95Å; F437-Y561 AromaticContact CD2-CE1 3.53Å; F437-Y561 HydrophobicContact CD2-CE1 3.53Å; F437-Y561 AromaticContact CE2-CD1 3.55Å; F437-Y561 HydrophobicContact CE2-CD1 3.55Å; F437-Y561 AromaticContact CE2-CE1 3.57Å; F437-Y561 HydrophobicContact CE2-CE1 3.57Å; F437-Y561 HydrophobicContact CG-CE1 4.46Å; F437-Y561 HydrophobicContact CZ-CD1 4.14Å; A440-Y561 HydrophobicContact CB-CE1 4.22Å; A440-Y561 HydrophobicContact CB-CE2 4.48Å; A441-Y561 HydrophobicContact CB-CD1 3.62Å; A441-Y561 HydrophobicContact CB-CG 3.87Å; V444-Y561 HydrophobicContact CB-CD2 3.91Å; V444-Y561 HydrophobicContact CB-CE2 4.48Å; V444-Y561 HydrophobicContact CG1-CD2 3.99Å; V444-Y561 HydrophobicContact CG2-CD2 3.78Å; V444-Y561 HydrophobicContact CG2-CE2 3.85Å; T557-Y561 HydrophobicContact CG2-CD2 4.01Å; T557-Y561 HydrophobicContact CG2-CE2 3.33Å; T557-Y561 PolarHBondContact O-N 2.84Å; T557-Y561 VanDerWaalsContact O-N 3.11Å; I558-Y561 PolarHBondContact O-N 3.02Å; I558-Y561 VanDerWaalsContact O-N 3.16Å; Y561-K563 PolarHBondContact O-N 2.76Å; Y561-L564 VanDerWaalsContact O-CB 3.31Å; Y561-L564 WeakPolarHBondContact O-CB 3.31Å; Y561-L564 PolarHBondContact O-N 3.04Å; Y561-I565 PolarHBondContact O-N 3.2Å
562L98.1Very high96.4Very high4 Ų444.3 Ų44.32%0.02123%0.23CC..Hα-helixtrans-61.7-31.7176.9-67-173.1000112.3F445 L448 I538 L541 L545 I558 L564 I565 K566F445-L562 HydrophobicContact CD2-CD2 3.95Å; L448-L562 HydrophobicContact CD2-CD1 4.29Å; I538-L562 HydrophobicContact CD1-CB 4.02Å; I538-L562 HydrophobicContact CD1-CD2 3.88Å; I538-L562 HydrophobicContact CD1-CG 4.37Å; L541-L562 HydrophobicContact CB-CD1 4.23Å; L541-L562 HydrophobicContact CD1-CD2 3.86Å; L545-L562 HydrophobicContact CD1-CD1 4.07Å; I558-L562 HydrophobicContact CG2-CD1 3.97Å; I558-L562 HydrophobicContact CG2-CG 4.08Å; I558-L562 WeakPolarHBondContact O-CG 3.3Å; I558-L562 PolarHBondContact O-N 3.45Å; L562-L564 VanDerWaalsContact C-N 3.34Å; L562-I565 PolarHBondContact O-N 3.49Å; L562-K566 VanDerWaalsContact O-CB 3.28Å; L562-K566 WeakPolarHBondContact O-CB 3.5Å; L562-K566 PolarHBondContact O-N 2.96Å
563K98.1Very high96.8Very high107 Ų10739.6 Ų39.647%0.46520%0.201SC..Hα-helixtrans-63.7-37.7173.7-174.7179.6-179.3-178.60112.2L559 N560 Y561 K567L559-K563 VanDerWaalsContact O-CB 3.29Å; L559-K563 WeakPolarHBondContact O-CB 3.25Å; L559-K563 PolarHBondContact O-N 2.77Å; N560-K563 WeakPolarHBondContact O-CB 3.36Å; N560-K563 PolarHBondContact O-N 3.29Å; Y561-K563 PolarHBondContact O-N 2.76Å; K563-K567 HydrophobicContact CG-CD 4.23Å; K563-K567 HydrophobicContact CG-CG 4.48Å; K563-K567 WeakPolarHBondContact O-CB 3.47Å; K563-K567 VanDerWaalsContact O-CG 3.28Å; K563-K567 WeakPolarHBondContact O-CG 3.35Å; K563-K567 PolarHBondContact O-N 2.84Å
564L98.4Very high97.1Very high4 Ų437.1 Ų37.12%0.02119%0.188CC..Hα-helixtrans-60.5-52.5173.5-179.469.8000110.5F437 E438 A441 N560 Y561 L562 K566 K567 R568 L573 F622F437-L564 HydrophobicContact CD1-CD2 4.45Å; F437-L564 HydrophobicContact CE1-CB 4.28Å; F437-L564 HydrophobicContact CE1-CD1 4.31Å; F437-L564 HydrophobicContact CE1-CD2 3.99Å; F437-L564 HydrophobicContact CE1-CG 4.43Å; F437-L564 HydrophobicContact CZ-CB 4.49Å; E438-L564 HydrophobicContact CB-CD2 4.14Å; E438-L564 HydrophobicContact CG-CD2 3.97Å; A441-L564 HydrophobicContact CB-CB 4.49Å; A441-L564 HydrophobicContact CB-CD2 3.64Å; N560-L564 PolarHBondContact O-N 2.97Å; Y561-L564 VanDerWaalsContact O-CB 3.31Å; Y561-L564 WeakPolarHBondContact O-CB 3.31Å; Y561-L564 PolarHBondContact O-N 3.04Å; L562-L564 VanDerWaalsContact C-N 3.34Å; L564-K566 PolarHBondContact O-N 3.37Å; L564-K567 PolarHBondContact O-N 3.22Å; L564-R568 WeakPolarHBondContact O-CG 3.34Å; L564-R568 PolarHBondContact O-N 2.89Å; L564-L573 HydrophobicContact CD1-CD1 3.75Å; L564-F622 HydrophobicContact CD1-CB 4.07Å
565I98.6Very high97.4Very high0 Ų037.2 Ų37.20%019%0.188CC..Hα-helixtrans-59.3-47.7-178.7-54.8-56.4000110.9L280 Y442 F445 I527 Y561 L562 K567 R568 A569L280-I565 HydrophobicContact CD1-CG2 4.33Å; Y442-I565 HydrophobicContact CD1-CD1 3.62Å; Y442-I565 HydrophobicContact CE1-CD1 3.52Å; Y442-I565 HydrophobicContact CG-CD1 4.22Å; F445-I565 HydrophobicContact CB-CD1 4.49Å; F445-I565 HydrophobicContact CB-CG1 4.15Å; F445-I565 HydrophobicContact CD2-CG1 4.33Å; F445-I565 HydrophobicContact CD2-CG2 4.2Å; F445-I565 HydrophobicContact CE2-CG2 4.15Å; F445-I565 HydrophobicContact CG-CG1 4.19Å; F445-I565 HydrophobicContact CG-CG2 4.45Å; F445-I565 HydrophobicContact CZ-CG2 4.36Å; I527-I565 HydrophobicContact CD1-CG2 4.2Å; I527-I565 HydrophobicContact CG2-CG2 4.04Å; Y561-I565 PolarHBondContact O-N 3.2Å; L562-I565 PolarHBondContact O-N 3.49Å; I565-K567 PolarHBondContact O-N 2.86Å; I565-R568 PolarHBondContact O-N 3.08Å; I565-A569 WeakPolarHBondContact O-CB 3.4Å; I565-A569 PolarHBondContact O-N 3.19Å
566K98.5Very high97.6Very high107 Ų10733.2 Ų33.247%0.46517%0.173SC..Hα-helixtrans-54.4-49.8175.9161.9154.6-174.2175.90112.3N528 I538 L562 L564 A569 S570N528-K566 PolarHBondContact ND2-O 3.13Å; N528-K566 WeakPolarHBondContact OD1-CA 3.2Å; N528-K566 WeakPolarHBondContact OD1-CB 3.12Å; N528-K566 WeakPolarHBondContact OD1-CD 3.23Å; N528-K566 WeakPolarHBondContact OD1-CG 3.49Å; I538-K566 HydrophobicContact CG1-CB 4.43Å; L562-K566 VanDerWaalsContact O-CB 3.28Å; L562-K566 WeakPolarHBondContact O-CB 3.5Å; L562-K566 PolarHBondContact O-N 2.96Å; L564-K566 PolarHBondContact O-N 3.37Å; K566-A569 PolarHBondContact O-N 3.49Å; K566-S570 PolarHBondContact O-N 3.03Å; K566-S570 VanDerWaalsContact O-N 3.09Å; K566-S570 PolarHBondContact O-OG 2.91Å
567K98.6Very high97.9Very high44 Ų4431 Ų3119%0.19116%0.159CC..Hα-helixtrans-74.2-29.3-175.2-73-171.1170.8-155.30113.5K563 L564 I565 S570 G571 E572 L573K563-K567 HydrophobicContact CG-CD 4.23Å; K563-K567 HydrophobicContact CG-CG 4.48Å; K563-K567 WeakPolarHBondContact O-CB 3.47Å; K563-K567 VanDerWaalsContact O-CG 3.28Å; K563-K567 WeakPolarHBondContact O-CG 3.35Å; K563-K567 PolarHBondContact O-N 2.84Å; L564-K567 PolarHBondContact O-N 3.22Å; I565-K567 PolarHBondContact O-N 2.86Å; K567-S570 PolarHBondContact O-OG 3.45Å; K567-G571 PolarHBondContact O-N 3.02Å; K567-E572 HydrophobicContact CB-CB 4.16Å; K567-E572 HydrophobicContact CD-CG 4.49Å; K567-E572 WeakPolarHBondContact CE-OE1 3.44Å; K567-E572 WeakPolarHBondContact CE-OE2 3.4Å; K567-E572 HydrophobicContact CG-CB 4.36Å; K567-E572 WeakPolarHBondContact CG-OE2 3.29Å; K567-E572 IonicContact NZ-OE1 3.15Å; K567-E572 PolarHBondContact NZ-OE1 3.41Å; K567-E572 IonicContact NZ-OE2 3.09Å; K567-E572 PolarHBondContact O-N 2.89Å; K567-L573 HydrophobicContact CB-CB 4.12Å; K567-L573 HydrophobicContact CB-CD1 3.7Å; K567-L573 HydrophobicContact CB-CG 3.69Å; K567-L573 HydrophobicContact CD-CD1 4.01Å; K567-L573 HydrophobicContact CD-CG 4.12Å; K567-L573 PolarHBondContact O-N 2.86Å
568R98.4Very high98.1Very high1 Ų132.3 Ų32.30%0.00416%0.162CC..Hα-helixtrans-68.4-44.9170.7-75.5-178.8176.2-168.2-5.4111.4L280 E438 Y442 L564 I565 S570 G571 L573 L621L280-R568 HydrophobicContact CD2-CB 4.33Å; E438-R568 IonicContact OE1-CZ 3.89Å; E438-R568 IonicContact OE1-NH1 3.53Å; E438-R568 IonicContact OE1-NH2 3.5Å; E438-R568 PolarHBondContact OE1-NH2 2.85Å; Y442-R568 VanDerWaalsContact OH-CD 3.23Å; Y442-R568 WeakPolarHBondContact OH-CD 3.48Å; Y442-R568 PolarHBondContact OH-NH1 3.31Å; L564-R568 WeakPolarHBondContact O-CG 3.34Å; L564-R568 PolarHBondContact O-N 2.89Å; I565-R568 PolarHBondContact O-N 3.08Å; R568-S570 VanDerWaalsContact C-N 3.31Å; R568-S570 PolarHBondContact O-N 2.89Å; R568-G571 PolarHBondContact O-N 2.98Å; R568-G571 VanDerWaalsContact O-N 3.1Å; R568-L573 HydrophobicContact CG-CB 4.04Å; R568-L621 PolarHBondContact NH2-O 2.93Å
569A98.6Very high98.2Very high2 Ų233.3 Ų33.32%0.01717%0.166CC..Hα-helixtrans-59.1-41.7177.300000112.4L280 I523 D524 I527 I565 K566 G571L280-A569 HydrophobicContact CD2-CB 3.93Å; I523-A569 HydrophobicContact CG2-CB 3.96Å; D524-A569 WeakPolarHBondContact CB-O 3.5Å; I527-A569 HydrophobicContact CB-CB 3.56Å; I527-A569 HydrophobicContact CG1-CB 3.82Å; I527-A569 HydrophobicContact CG2-CB 3.62Å; I565-A569 WeakPolarHBondContact O-CB 3.4Å; I565-A569 PolarHBondContact O-N 3.19Å; K566-A569 PolarHBondContact O-N 3.49Å; A569-G571 VanDerWaalsContact C-N 3.28Å; A569-G571 PolarHBondContact O-N 3.02Å
570S98.3Very high98.3Very high54 Ų5430.1 Ų30.138%0.37815%0.15SC..THydrogen-bonded Turntrans-78.7-10.1177.969.10000114.2D524 K566 K567 R568 E572D524-S570 VanDerWaalsContact OD1-CA 3.25Å; D524-S570 WeakPolarHBondContact OD1-CA 3.34Å; D524-S570 WeakPolarHBondContact OD1-CB 3.36Å; D524-S570 PolarHBondContact OD1-N 2.93Å; K566-S570 PolarHBondContact O-N 3.03Å; K566-S570 VanDerWaalsContact O-N 3.09Å; K566-S570 PolarHBondContact O-OG 2.91Å; K567-S570 PolarHBondContact O-OG 3.45Å; R568-S570 VanDerWaalsContact C-N 3.31Å; R568-S570 PolarHBondContact O-N 2.89Å; S570-E572 VanDerWaalsContact C-N 3.32Å
571G97.8Very high98.4Very high23 Ų2329.5 Ų29.524%0.23714%0.144CC..THydrogen-bonded Turntrans77.89.5-175.600000115.8K567 R568 A569 L573K567-G571 PolarHBondContact O-N 3.02Å; R568-G571 PolarHBondContact O-N 2.98Å; R568-G571 VanDerWaalsContact O-N 3.1Å; A569-G571 VanDerWaalsContact C-N 3.28Å; A569-G571 PolarHBondContact O-N 3.02Å; G571-L573 VanDerWaalsContact C-N 3.31Å
572E98.2Very high98.5Very high123 Ų12331.8 Ų31.858%0.57516%0.156SC*.SBendtrans-68.1-33.4171.7-168.5-167.9147.300111.4K567 S570K567-E572 HydrophobicContact CB-CB 4.16Å; K567-E572 HydrophobicContact CD-CG 4.49Å; K567-E572 WeakPolarHBondContact CE-OE1 3.44Å; K567-E572 WeakPolarHBondContact CE-OE2 3.4Å; K567-E572 HydrophobicContact CG-CB 4.36Å; K567-E572 WeakPolarHBondContact CG-OE2 3.29Å; K567-E572 IonicContact NZ-OE1 3.15Å; K567-E572 PolarHBondContact NZ-OE1 3.41Å; K567-E572 IonicContact NZ-OE2 3.09Å; K567-E572 PolarHBondContact O-N 2.89Å; S570-E572 VanDerWaalsContact C-N 3.32Å
573L98.4Very high98.5Very high10 Ų1033.8 Ų33.85%0.05216%0.164CC..SBendtrans-110.7146.1168.8-67.6178.1000110.3L564 K567 R568 G571 P619 E620L564-L573 HydrophobicContact CD1-CD1 3.75Å; K567-L573 HydrophobicContact CB-CB 4.12Å; K567-L573 HydrophobicContact CB-CD1 3.7Å; K567-L573 HydrophobicContact CB-CG 3.69Å; K567-L573 HydrophobicContact CD-CD1 4.01Å; K567-L573 HydrophobicContact CD-CG 4.12Å; K567-L573 PolarHBondContact O-N 2.86Å; R568-L573 HydrophobicContact CG-CB 4.04Å; G571-L573 VanDerWaalsContact C-N 3.31Å; L573-P619 WeakPolarHBondContact CD2-O 3.12Å; L573-E620 WeakPolarHBondContact CD2-O 3.48Å
574M98.6Very high98.5Very high33 Ų3328.7 Ų28.716%0.16314%0.142CC..  trans-78.3149.7177.3-61.2-178.8-172.800110.7K578 W579 E582 E620M574-K578 HydrophobicContact CB-CB 4.32Å; M574-K578 HydrophobicContact CB-CD 4.43Å; M574-K578 HydrophobicContact CB-CG 4.42Å; M574-K578 HydrophobicContact CG-CD 4.15Å; M574-K578 HydrophobicContact CG-CG 4.31Å; M574-K578 HydrophobicContact SD-CG 4.4Å; M574-W579 HydrophobicContact CB-CB 4.22Å; M574-W579 HydrophobicContact SD-CB 4.26Å; M574-E582 WeakPolarHBondContact CE-OE1 3.44Å; M574-E582 VanDerWaalsContact CE-OE2 3.31Å; M574-E582 WeakPolarHBondContact CE-OE2 3.42Å; M574-E620 PolarHBondContact N-O 3.02Å; M574-E620 HydrophobicContact SD-CB 4.37Å
575T98.8Very high98.5Very high2 Ų231.5 Ų31.51%0.01217%0.165CC..  trans-70.3159.6157.357.70000109.4A282 V480 A577 K578 W579A282-T575 HydrophobicContact CB-CG2 4.18Å; A282-T575 WeakPolarHBondContact O-CB 3.37Å; V480-T575 HydrophobicContact CB-CG2 4.31Å; V480-T575 HydrophobicContact CG1-CG2 3.77Å; T575-A577 PolarHBondContact O-N 3.12Å; T575-K578 PolarHBondContact O-N 3.06Å; T575-K578 WeakPolarHBondContact OG1-CB 3.14Å; T575-K578 PolarHBondContact OG1-N 2.93Å; T575-W579 PolarHBondContact O-N 3.41Å
576M98.4Very high98.5Very high6 Ų638.8 Ų38.83%0.0320%0.197CC..Hα-helixtrans-60.1-39.3176.7-174.959.1-176.300111.1A282 A283 L434 K578 W579 M580 L621A282-M576 PolarHBondContact O-N 2.98Å; A283-M576 HydrophobicContact CB-CB 3.74Å; A283-M576 HydrophobicContact CB-CG 4.07Å; L434-M576 HydrophobicContact CB-CE 4.31Å; L434-M576 HydrophobicContact CB-SD 4.24Å; L434-M576 HydrophobicContact CD2-CE 4.02Å; L434-M576 HydrophobicContact CD2-SD 4.37Å; M576-K578 PolarHBondContact O-N 2.85Å; M576-W579 HydrophobicContact CE-CE3 3.69Å; M576-W579 HydrophobicContact CE-CZ3 3.64Å; M576-W579 PolarHBondContact O-N 3.5Å; M576-W579 HydrophobicContact SD-CE3 3.74Å; M576-W579 HydrophobicContact SD-CZ3 4.26Å; M576-M580 HydrophobicContact CE-CG 3.65Å; M576-M580 HydrophobicContact CE-SD 3.86Å; M576-M580 HydrophobicContact CG-CG 4.3Å; M576-M580 HydrophobicContact CG-SD 3.98Å; M576-M580 WeakPolarHBondContact O-CB 3.48Å; M576-M580 VanDerWaalsContact O-CG 3.24Å; M576-M580 WeakPolarHBondContact O-CG 3.39Å; M576-M580 PolarHBondContact O-N 3.47Å; M576-M580 HydrophobicContact SD-CG 4.24Å; M576-L621 HydrophobicContact SD-CD1 3.87Å; M576-L621 HydrophobicContact SD-CD2 4.03Å
577A98.8Very high98.5Very high0 Ų034.5 Ų34.50%018%0.179CC..Hα-helixtrans-59.5-46.8176.400000112.4A282 P285 D295 T575 M580 R581A282-A577 HydrophobicContact CB-CB 4.22Å; A282-A577 WeakPolarHBondContact O-CB 3.42Å; A282-A577 PolarHBondContact O-N 3.12Å; P285-A577 HydrophobicContact CB-CB 4.2Å; P285-A577 HydrophobicContact CG-CB 4.21Å; D295-A577 HydrophobicContact CB-CB 3.68Å; T575-A577 PolarHBondContact O-N 3.12Å; A577-M580 PolarHBondContact O-N 3.37Å; A577-R581 VanDerWaalsContact O-CG 3.3Å; A577-R581 WeakPolarHBondContact O-CG 3.48Å; A577-R581 PolarHBondContact O-N 2.79Å; A577-R581 VanDerWaalsContact O-N 3.08Å
578K98.7Very high98.5Very high47 Ų4738.6 Ų38.620%0.20421%0.21CC..Hα-helixtrans-63.3-45.1177.4-178.4173.2-178.3177.50111.7M574 T575 M576 M580 R581 E582M574-K578 HydrophobicContact CB-CB 4.32Å; M574-K578 HydrophobicContact CB-CD 4.43Å; M574-K578 HydrophobicContact CB-CG 4.42Å; M574-K578 HydrophobicContact CG-CD 4.15Å; M574-K578 HydrophobicContact CG-CG 4.31Å; M574-K578 HydrophobicContact SD-CG 4.4Å; T575-K578 PolarHBondContact O-N 3.06Å; T575-K578 WeakPolarHBondContact OG1-CB 3.14Å; T575-K578 PolarHBondContact OG1-N 2.93Å; M576-K578 PolarHBondContact O-N 2.85Å; K578-M580 PolarHBondContact O-N 3.37Å; K578-R581 WeakPolarHBondContact O-CB 3.22Å; K578-R581 PolarHBondContact O-N 3.28Å; K578-E582 PolarHBondContact O-N 2.87Å
579W98.8Very high98.5Very high21 Ų2143 Ų438%0.0823%0.23CC..Hα-helixtrans-61.5-44.7178.9178.387.1000112.2M574 T575 M576 R581 E582 F583 L604 R607 I611 C618 L621M574-W579 HydrophobicContact CB-CB 4.22Å; M574-W579 HydrophobicContact SD-CB 4.26Å; T575-W579 PolarHBondContact O-N 3.41Å; M576-W579 HydrophobicContact CE-CE3 3.69Å; M576-W579 HydrophobicContact CE-CZ3 3.64Å; M576-W579 PolarHBondContact O-N 3.5Å; M576-W579 HydrophobicContact SD-CE3 3.74Å; M576-W579 HydrophobicContact SD-CZ3 4.26Å; W579-R581 VanDerWaalsContact C-N 3.33Å; W579-R581 PolarHBondContact O-N 3.34Å; W579-E582 PolarHBondContact O-N 2.97Å; W579-F583 HydrophobicContact CH2-CD2 4.35Å; W579-F583 HydrophobicContact CZ2-CD2 4.39Å; W579-F583 WeakPolarHBondContact O-CB 3.37Å; W579-F583 PolarHBondContact O-N 2.51Å; W579-L604 HydrophobicContact CH2-CD1 4.14Å; W579-L604 HydrophobicContact CZ3-CD1 3.69Å; W579-R607 HydrophobicContact CH2-CG 3.9Å; W579-R607 HydrophobicContact CZ2-CG 4.03Å; W579-I611 HydrophobicContact CH2-CD1 3.99Å; W579-I611 HydrophobicContact CZ2-CD1 3.81Å; W579-C618 PolarHBondContact NE1-SG 2.89Å; W579-L621 HydrophobicContact CB-CD2 3.49Å; W579-L621 VanDerWaalsContact CB-CD2 3.49Å; W579-L621 HydrophobicContact CB-CG 4.07Å; W579-L621 HydrophobicContact CD2-CD1 3.85Å; W579-L621 HydrophobicContact CD2-CD2 4.37Å; W579-L621 HydrophobicContact CD2-CG 4.16Å; W579-L621 HydrophobicContact CE3-CD1 4.2Å; W579-L621 HydrophobicContact CG-CD1 4Å; W579-L621 HydrophobicContact CG-CD2 3.75Å; W579-L621 HydrophobicContact CG-CG 3.75Å
580M98.8Very high98.5Very high2 Ų243.8 Ų43.81%0.0123%0.233CC..Hα-helixtrans-60.1-42.6176.1-73.2174.179.500111.7P148 P285 F286 M576 A577 K578 F583 V584 L604P148-M580 HydrophobicContact CG-CE 4.14Å; P285-M580 HydrophobicContact CG-CB 3.83Å; P285-M580 HydrophobicContact CG-CE 4.34Å; P285-M580 HydrophobicContact CG-SD 4.03Å; F286-M580 HydrophobicContact CD2-CE 3.67Å; F286-M580 HydrophobicContact CE2-CB 3.76Å; F286-M580 HydrophobicContact CE2-CE 3.85Å; F286-M580 HydrophobicContact CZ-CB 4.02Å; F286-M580 WeakPolarHBondContact CZ-O 3.41Å; M576-M580 HydrophobicContact CE-CG 3.65Å; M576-M580 HydrophobicContact CE-SD 3.86Å; M576-M580 HydrophobicContact CG-CG 4.3Å; M576-M580 HydrophobicContact CG-SD 3.98Å; M576-M580 WeakPolarHBondContact O-CB 3.48Å; M576-M580 VanDerWaalsContact O-CG 3.24Å; M576-M580 WeakPolarHBondContact O-CG 3.39Å; M576-M580 PolarHBondContact O-N 3.47Å; M576-M580 HydrophobicContact SD-CG 4.24Å; A577-M580 PolarHBondContact O-N 3.37Å; K578-M580 PolarHBondContact O-N 3.37Å; M580-F583 WeakPolarHBondContact O-CB 3.18Å; M580-F583 PolarHBondContact O-N 2.98Å; M580-V584 WeakPolarHBondContact O-CG2 3.34Å; M580-V584 PolarHBondContact O-N 2.84Å; M580-L604 HydrophobicContact CE-CD2 3.92Å; M580-L604 HydrophobicContact CG-CD1 4.34Å
581R98.7Very high98.5Very high23 Ų2348.1 Ų48.19%0.08725%0.245CC..Hα-helixtrans-61.6-46.2175-70.7172.7-176-70.5-2.5111.8P285 F286 M291 S292 I294 D295 A577 K578 W579 F583 V584 A585P285-R581 HydrophobicContact CB-CG 3.78Å; P285-R581 VanDerWaalsContact CB-CZ 3.46Å; P285-R581 HydrophobicContact CG-CG 4.38Å; F286-R581 HydrophobicContact CE1-CG 4.28Å; M291-R581 HydrophobicContact SD-CB 4.43Å; M291-R581 HydrophobicContact SD-CG 4.05Å; M291-R581 PolarHBondContact SD-NH1 2.95Å; S292-R581 PolarHBondContact O-NH1 3.38Å; S292-R581 PolarHBondContact O-NH2 3.34Å; I294-R581 PolarHBondContact O-NH2 3.39Å; D295-R581 IonicContact OD1-CZ 2.8Å; D295-R581 IonicContact OD1-NE 3.55Å; D295-R581 PolarHBondContact OD1-NE 3.37Å; D295-R581 IonicContact OD1-NH2 3.61Å; D295-R581 PolarHBondContact OD1-NH2 3.25Å; A577-R581 VanDerWaalsContact O-CG 3.3Å; A577-R581 WeakPolarHBondContact O-CG 3.48Å; A577-R581 PolarHBondContact O-N 2.79Å; A577-R581 VanDerWaalsContact O-N 3.08Å; K578-R581 WeakPolarHBondContact O-CB 3.22Å; K578-R581 PolarHBondContact O-N 3.28Å; W579-R581 VanDerWaalsContact C-N 3.33Å; W579-R581 PolarHBondContact O-N 3.34Å; R581-F583 VanDerWaalsContact C-N 3.3Å; R581-F583 PolarHBondContact O-N 3.1Å; R581-V584 PolarHBondContact O-N 2.99Å; R581-A585 VanDerWaalsContact O-CB 3.29Å; R581-A585 WeakPolarHBondContact O-CB 3.23Å; R581-A585 PolarHBondContact O-N 3.17Å
582E98.4Very high98.5Very high55 Ų5551 Ų5126%0.25725%0.253SS..Hα-helixtrans-63.3-37.4177.5-75.7-159.7-162.300112.5M574 K578 W579 A585 K586M574-E582 WeakPolarHBondContact CE-OE1 3.44Å; M574-E582 VanDerWaalsContact CE-OE2 3.31Å; M574-E582 WeakPolarHBondContact CE-OE2 3.42Å; K578-E582 PolarHBondContact O-N 2.87Å; W579-E582 PolarHBondContact O-N 2.97Å; E582-A585 PolarHBondContact O-N 3.29Å; E582-K586 WeakPolarHBondContact O-CB 3.11Å; E582-K586 WeakPolarHBondContact O-CD 3.13Å; E582-K586 VanDerWaalsContact O-CG 3.3Å; E582-K586 WeakPolarHBondContact O-CG 3.42Å; E582-K586 PolarHBondContact O-N 2.87Å; E582-K586 VanDerWaalsContact O-N 3.12Å; E582-K586 IonicContact OE2-NZ 3.94Å; E582-K586 PolarHBondContact OE2-NZ 2.96Å
583F98.8Very high98.6Very high46 Ų4647.1 Ų47.120%0.20224%0.236CC..Hα-helixtrans-58.7-52.2174-177.8-81.5000110.7W579 M580 R581 K586 H587 D603 L604 R607W579-F583 HydrophobicContact CH2-CD2 4.35Å; W579-F583 HydrophobicContact CZ2-CD2 4.39Å; W579-F583 WeakPolarHBondContact O-CB 3.37Å; W579-F583 PolarHBondContact O-N 2.51Å; M580-F583 WeakPolarHBondContact O-CB 3.18Å; M580-F583 PolarHBondContact O-N 2.98Å; R581-F583 VanDerWaalsContact C-N 3.3Å; R581-F583 PolarHBondContact O-N 3.1Å; F583-K586 PolarHBondContact O-N 3.4Å; F583-H587 AromaticContact CE1-CD2 3.96Å; F583-H587 PolarHBondContact O-N 3.31Å; F583-H587 VanDerWaalsContact O-N 3.16Å; F583-D603 HydrophobicContact CE1-CB 4.42Å; F583-D603 HydrophobicContact CZ-CB 4.13Å; F583-L604 HydrophobicContact CB-CD1 4.15Å; F583-L604 HydrophobicContact CD1-CB 3.9Å; F583-L604 HydrophobicContact CD1-CD1 3.67Å; F583-L604 HydrophobicContact CD1-CG 4.32Å; F583-L604 HydrophobicContact CD2-CD1 4.36Å; F583-L604 VanDerWaalsContact CE1-CA 3.47Å; F583-L604 HydrophobicContact CE1-CB 3.64Å; F583-L604 HydrophobicContact CE1-CD1 4.16Å; F583-L604 HydrophobicContact CE1-CG 4.5Å; F583-L604 HydrophobicContact CG-CD1 3.79Å; F583-L604 HydrophobicContact CZ-CB 4.31Å; F583-R607 HydrophobicContact CE2-CB 4.18Å; F583-R607 HydrophobicContact CE2-CG 4.32Å
584V98.8Very high98.6Very high0 Ų046.6 Ų46.60%023%0.233CC..Hα-helixtrans-64.1-43.5179.4173.80000111.4F286 M291 M580 R581 K586 H587 Y590 I600F286-V584 HydrophobicContact CE1-CG2 4.31Å; F286-V584 HydrophobicContact CE2-CG2 3.7Å; F286-V584 HydrophobicContact CZ-CB 4.08Å; F286-V584 HydrophobicContact CZ-CG2 3.4Å; M291-V584 HydrophobicContact CE-CB 3.94Å; M291-V584 HydrophobicContact CE-CG1 3.63Å; M580-V584 WeakPolarHBondContact O-CG2 3.34Å; M580-V584 PolarHBondContact O-N 2.84Å; R581-V584 PolarHBondContact O-N 2.99Å; V584-K586 PolarHBondContact O-N 3.28Å; V584-H587 VanDerWaalsContact O-CB 3.25Å; V584-H587 WeakPolarHBondContact O-CB 3.33Å; V584-H587 PolarHBondContact O-N 3.28Å; V584-Y590 HydrophobicContact CG1-CD1 4.44Å; V584-Y590 HydrophobicContact CG1-CD2 3.62Å; V584-Y590 HydrophobicContact CG1-CE2 3.92Å; V584-Y590 HydrophobicContact CG1-CG 3.9Å; V584-Y590 WeakPolarHBondContact O-CB 3.45Å; V584-Y590 WeakPolarHBondContact O-CD1 3.35Å; V584-I600 HydrophobicContact CB-CG2 4.37Å; V584-I600 HydrophobicContact CG1-CG2 4.13Å; V584-I600 HydrophobicContact CG2-CG2 3.71Å
585A98.3Very high98.6Very high62 Ų6247 Ų4751%0.51224%0.237SC..Hα-helixtrans-60.5-29.3179.800000113.3R581 E582R581-A585 VanDerWaalsContact O-CB 3.29Å; R581-A585 WeakPolarHBondContact O-CB 3.23Å; R581-A585 PolarHBondContact O-N 3.17Å; E582-A585 PolarHBondContact O-N 3.29Å
586K98.4Very high98.6Very high154 Ų15447 Ų4767%0.6724%0.237SC*.THydrogen-bonded Turntrans-92.8-5.2177.6-67.3166-176.7160.50113E582 F583 V584E582-K586 WeakPolarHBondContact O-CB 3.11Å; E582-K586 WeakPolarHBondContact O-CD 3.13Å; E582-K586 VanDerWaalsContact O-CG 3.3Å; E582-K586 WeakPolarHBondContact O-CG 3.42Å; E582-K586 PolarHBondContact O-N 2.87Å; E582-K586 VanDerWaalsContact O-N 3.12Å; E582-K586 IonicContact OE2-NZ 3.94Å; E582-K586 PolarHBondContact OE2-NZ 2.96Å; F583-K586 PolarHBondContact O-N 3.4Å; V584-K586 PolarHBondContact O-N 3.28Å
587H98.8Very high98.6Very high17 Ų1748.7 Ų48.78%0.07925%0.248CC..  trans-71.7133-175.2-167.6-81.4000111.3F583 V584 E589 Y590 I600 D603F583-H587 AromaticContact CE1-CD2 3.96Å; F583-H587 PolarHBondContact O-N 3.31Å; F583-H587 VanDerWaalsContact O-N 3.16Å; V584-H587 VanDerWaalsContact O-CB 3.25Å; V584-H587 WeakPolarHBondContact O-CB 3.33Å; V584-H587 PolarHBondContact O-N 3.28Å; H587-E589 VanDerWaalsContact C-N 3.26Å; H587-E589 PolarHBondContact ND1-N 3.48Å; H587-E589 VanDerWaalsContact ND1-N 3.15Å; H587-E589 PolarHBondContact O-N 3.09Å; H587-E589 VanDerWaalsContact O-N 3.16Å; H587-Y590 WeakPolarHBondContact O-CB 3.39Å; H587-Y590 PolarHBondContact O-N 3.16Å; H587-I600 HydrophobicContact CB-CG1 4.48Å; H587-I600 WeakPolarHBondContact ND1-CG1 3.43Å; H587-D603 IonicContact CE1-OD2 3.18Å; H587-D603 IonicContact NE2-OD2 2.75Å; H587-D603 PolarHBondContact NE2-OD2 3.08Å; H587-D603 VanDerWaalsContact NE2-OD2 3.12Å
588P98.4Very high98.5Very high130 Ų13050.9 Ų50.984%0.84426%0.26SS*.THydrogen-bonded Turntrans-58.5-31.8-175.9-26.834.9000115.1
589E98Very high98.5Very high92 Ų9250.4 Ų50.443%0.4326%0.258SS..THydrogen-bonded Turntrans-84.2-8177.6-62.1-160.2168.200114.8H587 K591 K599 I600H587-E589 VanDerWaalsContact C-N 3.26Å; H587-E589 PolarHBondContact ND1-N 3.48Å; H587-E589 VanDerWaalsContact ND1-N 3.15Å; H587-E589 PolarHBondContact O-N 3.09Å; H587-E589 VanDerWaalsContact O-N 3.16Å; E589-K591 PolarHBondContact O-N 3.09Å; E589-K599 HydrophobicContact CG-CG 4.47Å; E589-K599 VanDerWaalsContact OE2-CB 3.29Å; E589-K599 WeakPolarHBondContact OE2-CB 3.42Å; E589-K599 WeakPolarHBondContact OE2-CG 3.37Å; E589-I600 HydrophobicContact CB-CD1 4.47Å; E589-I600 HydrophobicContact CB-CG1 4.27Å
590Y98.7Very high98.5Very high20 Ų2049.4 Ų49.48%0.07825%0.254CS..  trans-73.7122-177.8-179.2-118.6000110.5D210 M291 V584 H587 Q592 S594 I600D210-Y590 WeakPolarHBondContact OD2-CE1 3.44Å; D210-Y590 VanDerWaalsContact OD2-CZ 3.29Å; D210-Y590 PolarHBondContact OD2-OH 2.73Å; M291-Y590 HydrophobicContact CE-CE2 4.49Å; V584-Y590 HydrophobicContact CG1-CD1 4.44Å; V584-Y590 HydrophobicContact CG1-CD2 3.62Å; V584-Y590 HydrophobicContact CG1-CE2 3.92Å; V584-Y590 HydrophobicContact CG1-CG 3.9Å; V584-Y590 WeakPolarHBondContact O-CB 3.45Å; V584-Y590 WeakPolarHBondContact O-CD1 3.35Å; H587-Y590 WeakPolarHBondContact O-CB 3.39Å; H587-Y590 PolarHBondContact O-N 3.16Å; Y590-Q592 VanDerWaalsContact C-N 3.33Å; Y590-Q592 HydrophobicContact CD1-CG 4.49Å; Y590-Q592 HydrophobicContact CE1-CB 4.43Å; Y590-Q592 HydrophobicContact CE1-CG 4.33Å; Y590-Q592 PolarHBondContact O-N 3.41Å; Y590-S594 WeakPolarHBondContact OH-CA 3.41Å; Y590-S594 PolarHBondContact OH-N 3.15Å; Y590-S594 VanDerWaalsContact OH-N 3.13Å; Y590-I600 HydrophobicContact CD2-CD1 4.33Å
591K98.6Very high98.5Very high144 Ų14449.4 Ų49.463%0.62625%0.254SS*.  trans-94.814.6-172-63.3177.3-174.9172.10113.5N212 E589 D593N212-K591 PolarHBondContact ND2-O 3.01Å; E589-K591 PolarHBondContact O-N 3.09Å; K591-D593 HydrophobicContact CB-CB 4.41Å; K591-D593 PolarHBondContact O-N 2.88Å
592Q98.4Very high98.5Very high85 Ų8548.7 Ų48.740%0.39725%0.251SS..SBendtrans57.329.9-174.7-54.1178.8-32.700112.3D210 K211 N212 T213 Y590D210-Q592 VanDerWaalsContact CB-O 3.3Å; D210-Q592 WeakPolarHBondContact CB-O 3.26Å; D210-Q592 WeakPolarHBondContact OD2-CA 3.44Å; K211-Q592 HydrophobicContact CB-CB 4.15Å; K211-Q592 VanDerWaalsContact CD-OE1 3.31Å; K211-Q592 PolarHBondContact N-O 2.79Å; N212-Q592 CarbonylContact C-O 3.4Å; N212-Q592 VanDerWaalsContact CA-O 3.32Å; N212-Q592 WeakPolarHBondContact CA-O 3.12Å; N212-Q592 WeakPolarHBondContact CB-O 3.21Å; N212-Q592 PolarHBondContact N-O 3.29Å; T213-Q592 PolarHBondContact N-O 3.42Å; Y590-Q592 VanDerWaalsContact C-N 3.33Å; Y590-Q592 HydrophobicContact CD1-CG 4.49Å; Y590-Q592 HydrophobicContact CE1-CB 4.43Å; Y590-Q592 HydrophobicContact CE1-CG 4.33Å; Y590-Q592 PolarHBondContact O-N 3.41Å
593D98.3Very high98.5Very high40 Ų4048.2 Ų48.221%0.21425%0.25CS..SBendtrans-112.89.3-175.961.1-4.8000112.4N212 K591 V595N212-D593 HydrophobicContact CB-CB 4.22Å; K591-D593 HydrophobicContact CB-CB 4.41Å; K591-D593 PolarHBondContact O-N 2.88Å; D593-V595 HydrophobicContact CB-CG2 4.43Å; D593-V595 PolarHBondContact O-N 2.89Å; D593-V595 WeakPolarHBondContact OD1-CB 3.35Å; D593-V595 PolarHBondContact OD1-N 3.37Å; D593-V595 VanDerWaalsContact OD1-N 3.12Å
594S98.6Very high98.5Very high0 Ų046 Ų460%024%0.241CC..SBendtrans62.515.6-175.3-57.90000115.2Y208 T213 Y290 M291 Y590Y208-S594 WeakPolarHBondContact CD1-OG 3.45Å; Y208-S594 PolarHBondContact O-OG 3.24Å; T213-S594 WeakPolarHBondContact OG1-CB 3.14Å; T213-S594 PolarHBondContact OG1-OG 3.29Å; Y290-S594 CarbonylContact C-O 3.55Å; Y290-S594 VanDerWaalsContact CA-O 3.23Å; Y290-S594 WeakPolarHBondContact CA-O 3.27Å; M291-S594 PolarHBondContact N-O 2.56Å; Y590-S594 WeakPolarHBondContact OH-CA 3.41Å; Y590-S594 PolarHBondContact OH-N 3.15Å; Y590-S594 VanDerWaalsContact OH-N 3.13Å
595V98.7Very high98.5Very high42 Ų4246 Ų4626%0.25524%0.241SC..BIsolated β-bridgetrans-92.1130.2177.3-178.30000111Y290 D593 T597Y290-V595 HydrophobicContact CD1-CG2 4.16Å; Y290-V595 HydrophobicContact CE1-CG2 3.97Å; D593-V595 HydrophobicContact CB-CG2 4.43Å; D593-V595 PolarHBondContact O-N 2.89Å; D593-V595 WeakPolarHBondContact OD1-CB 3.35Å; D593-V595 PolarHBondContact OD1-N 3.37Å; D593-V595 VanDerWaalsContact OD1-N 3.12Å; V595-T597 HydrophobicContact CG1-CG2 4.23Å
596V98.7Very high98.5Very high0 Ų046 Ų460%023%0.229CC..  trans-10298.7171.6-178.20000108.2P148 R149 F286 G289 I600 N601P148-V596 HydrophobicContact CB-CG1 4.26Å; R149-V596 WeakPolarHBondContact CD-O 3.11Å; R149-V596 HydrophobicContact CG-CG1 4.47Å; R149-V596 PolarHBondContact NH1-O 2.8Å; F286-V596 HydrophobicContact CD1-CG2 4.15Å; F286-V596 HydrophobicContact CD2-CG2 4.5Å; F286-V596 HydrophobicContact CE1-CG2 4.42Å; F286-V596 HydrophobicContact CG-CG2 4.22Å; G289-V596 PolarHBondContact O-N 3.3Å; V596-I600 HydrophobicContact CG1-CB 4.3Å; V596-I600 HydrophobicContact CG1-CG2 3.93Å; V596-N601 HydrophobicContact CG1-CB 4.22Å
597T98.6Very high98.5Very high43 Ų4341.9 Ų41.926%0.26421%0.209SC..  trans-72.6169.6-179.666.10000112.5R149 V595 K599 I600 N601R149-T597 WeakPolarHBondContact CD-O 3.25Å; V595-T597 HydrophobicContact CG1-CG2 4.23Å; T597-K599 VanDerWaalsContact C-N 3.28Å; T597-K599 PolarHBondContact O-N 3.23Å; T597-I600 HydrophobicContact CG2-CD1 4.28Å; T597-I600 PolarHBondContact O-N 3.11Å; T597-I600 WeakPolarHBondContact OG1-CG1 3.41Å; T597-I600 PolarHBondContact OG1-N 2.75Å; T597-N601 WeakPolarHBondContact O-CB 3.31Å; T597-N601 PolarHBondContact O-N 2.78Å
598D98.4Very high98.5Very high46 Ų4641 Ų4125%0.24621%0.205CC..Hα-helixtrans-53.6-46.2174.2-81.6-12.6000111.7K64 R149 N601 Y602K64-D598 VanDerWaalsContact CE-OD2 3.23Å; K64-D598 WeakPolarHBondContact CE-OD2 3.5Å; K64-D598 HydrophobicContact CG-CB 4.09Å; K64-D598 IonicContact NZ-OD2 2.85Å; K64-D598 PolarHBondContact NZ-OD2 3.06Å; R149-D598 IonicContact CZ-OD1 3.23Å; R149-D598 VanDerWaalsContact CZ-OD1 3.26Å; R149-D598 IonicContact NE-OD1 3.02Å; R149-D598 PolarHBondContact NE-OD1 3.02Å; R149-D598 IonicContact NH2-OD1 2.91Å; R149-D598 PolarHBondContact NH2-OD1 3.42Å; D598-N601 PolarHBondContact O-N 2.91Å; D598-Y602 WeakPolarHBondContact O-CB 3.33Å; D598-Y602 PolarHBondContact O-N 3.26Å
599K98.4Very high98.4Very high37 Ų3735.3 Ų35.316%0.16117%0.168CC..Hα-helixtrans-64.8-46.4178.9177.154.8173.4167.40112.8E63 E589 T597 N601 Y602 D603E63-K599 HydrophobicContact CB-CD 4.04Å; E63-K599 VanDerWaalsContact CD-NZ 3.27Å; E63-K599 IonicContact OE1-NZ 3.72Å; E63-K599 PolarHBondContact OE1-NZ 2.97Å; E63-K599 WeakPolarHBondContact OE2-CD 3.14Å; E63-K599 WeakPolarHBondContact OE2-CE 3.37Å; E63-K599 IonicContact OE2-NZ 2.76Å; E63-K599 PolarHBondContact OE2-NZ 3.39Å; E589-K599 HydrophobicContact CG-CG 4.47Å; E589-K599 VanDerWaalsContact OE2-CB 3.29Å; E589-K599 WeakPolarHBondContact OE2-CB 3.42Å; E589-K599 WeakPolarHBondContact OE2-CG 3.37Å; T597-K599 VanDerWaalsContact C-N 3.28Å; T597-K599 PolarHBondContact O-N 3.23Å; K599-N601 VanDerWaalsContact C-N 3.29Å; K599-N601 PolarHBondContact O-N 3.2Å; K599-Y602 HydrophobicContact CD-CD1 4.47Å; K599-Y602 PolarHBondContact O-N 3.38Å; K599-D603 WeakPolarHBondContact CE-OD2 3.35Å; K599-D603 VanDerWaalsContact NZ-CG 3.34Å; K599-D603 IonicContact NZ-OD1 2.78Å; K599-D603 PolarHBondContact NZ-OD1 2.85Å; K599-D603 IonicContact NZ-OD2 3.79Å; K599-D603 PolarHBondContact NZ-OD2 2.98Å; K599-D603 VanDerWaalsContact NZ-OD2 3.12Å; K599-D603 PolarHBondContact O-N 3.33Å
600I98.8Very high98.3Very high0 Ų035.3 Ų35.30%016%0.164CC..Hα-helixtrans-58-45.7175.2-66169000110.2V584 H587 E589 Y590 V596 T597 Y602 L604V584-I600 HydrophobicContact CB-CG2 4.37Å; V584-I600 HydrophobicContact CG1-CG2 4.13Å; V584-I600 HydrophobicContact CG2-CG2 3.71Å; H587-I600 HydrophobicContact CB-CG1 4.48Å; H587-I600 WeakPolarHBondContact ND1-CG1 3.43Å; E589-I600 HydrophobicContact CB-CD1 4.47Å; E589-I600 HydrophobicContact CB-CG1 4.27Å; Y590-I600 HydrophobicContact CD2-CD1 4.33Å; V596-I600 HydrophobicContact CG1-CB 4.3Å; V596-I600 HydrophobicContact CG1-CG2 3.93Å; T597-I600 HydrophobicContact CG2-CD1 4.28Å; T597-I600 PolarHBondContact O-N 3.11Å; T597-I600 WeakPolarHBondContact OG1-CG1 3.41Å; T597-I600 PolarHBondContact OG1-N 2.75Å; I600-Y602 VanDerWaalsContact C-N 3.33Å; I600-Y602 PolarHBondContact O-N 3.44Å; I600-L604 VanDerWaalsContact O-CB 3.25Å; I600-L604 WeakPolarHBondContact O-CB 3.31Å; I600-L604 PolarHBondContact O-N 3.18Å
601N98.8Very high98.3Very high1 Ų134.6 Ų34.61%0.00516%0.161CC..Hα-helixtrans-63.2-40.3178.6-17557.5000111.9P148 R149 V596 T597 D598 K599 L605P148-N601 WeakPolarHBondContact CB-OD1 3.49Å; P148-N601 WeakPolarHBondContact CG-OD1 3.16Å; R149-N601 VanDerWaalsContact CD-CB 3.48Å; R149-N601 HydrophobicContact CG-CB 4.01Å; V596-N601 HydrophobicContact CG1-CB 4.22Å; T597-N601 WeakPolarHBondContact O-CB 3.31Å; T597-N601 PolarHBondContact O-N 2.78Å; D598-N601 PolarHBondContact O-N 2.91Å; K599-N601 VanDerWaalsContact C-N 3.29Å; K599-N601 PolarHBondContact O-N 3.2Å; N601-L605 WeakPolarHBondContact O-CB 3.43Å; N601-L605 WeakPolarHBondContact O-CG 3.42Å; N601-L605 PolarHBondContact O-N 2.91Å
602Y98.6Very high98.1Very high8 Ų828.7 Ų28.73%0.03114%0.139CC..Hα-helixtrans-65.2-49.5177.6168.7-91.8000112.7D60 E63 V65 D598 K599 I600 L604 L605 K606D60-Y602 PolarHBondContact OD1-OH 2.98Å; E63-Y602 VanDerWaalsContact C-CG 3.43Å; E63-Y602 HydrophobicContact CB-CD1 3.87Å; E63-Y602 HydrophobicContact CB-CE1 4.08Å; E63-Y602 HydrophobicContact CB-CG 4.18Å; E63-Y602 HydrophobicContact CG-CD1 4.48Å; E63-Y602 HydrophobicContact CG-CE1 4.23Å; E63-Y602 WeakPolarHBondContact O-CB 3.42Å; V65-Y602 HydrophobicContact CG2-CD2 3.76Å; V65-Y602 HydrophobicContact CG2-CG 4.3Å; D598-Y602 WeakPolarHBondContact O-CB 3.33Å; D598-Y602 PolarHBondContact O-N 3.26Å; K599-Y602 HydrophobicContact CD-CD1 4.47Å; K599-Y602 PolarHBondContact O-N 3.38Å; I600-Y602 VanDerWaalsContact C-N 3.33Å; I600-Y602 PolarHBondContact O-N 3.44Å; Y602-L604 VanDerWaalsContact C-N 3.28Å; Y602-L604 PolarHBondContact O-N 3.23Å; Y602-L605 PolarHBondContact O-N 3.5Å; Y602-K606 HydrophobicContact CE1-CD 3.97Å; Y602-K606 HydrophobicContact CE2-CD 4.26Å; Y602-K606 WeakPolarHBondContact O-CB 3.42Å; Y602-K606 PolarHBondContact O-N 2.87Å; Y602-K606 WeakPolarHBondContact OH-CD 3.47Å; Y602-K606 PolarHBondContact OH-NZ 2.95Å
603D98.8Very high97.8Very high46 Ų4629.7 Ų29.725%0.24614%0.142CC..Hα-helixtrans-63.5-37.9178.9-73.2-11.3000111.2F583 H587 K599 R607F583-D603 HydrophobicContact CE1-CB 4.42Å; F583-D603 HydrophobicContact CZ-CB 4.13Å; H587-D603 IonicContact CE1-OD2 3.18Å; H587-D603 IonicContact NE2-OD2 2.75Å; H587-D603 PolarHBondContact NE2-OD2 3.08Å; H587-D603 VanDerWaalsContact NE2-OD2 3.12Å; K599-D603 WeakPolarHBondContact CE-OD2 3.35Å; K599-D603 VanDerWaalsContact NZ-CG 3.34Å; K599-D603 IonicContact NZ-OD1 2.78Å; K599-D603 PolarHBondContact NZ-OD1 2.85Å; K599-D603 IonicContact NZ-OD2 3.79Å; K599-D603 PolarHBondContact NZ-OD2 2.98Å; K599-D603 VanDerWaalsContact NZ-OD2 3.12Å; K599-D603 PolarHBondContact O-N 3.33Å; D603-R607 WeakPolarHBondContact O-CB 3.31Å; D603-R607 PolarHBondContact O-N 3.02Å
604L98.7Very high97.6Very high0 Ų030 Ų300%016%0.155CC..Hα-helixtrans-62.6-54175.1175.362.7000112.1P148 F286 W579 M580 F583 I600 Y602 R607 C608P148-L604 HydrophobicContact CG-CD2 4.25Å; F286-L604 HydrophobicContact CD2-CD2 4.22Å; F286-L604 HydrophobicContact CE2-CD2 3.76Å; W579-L604 HydrophobicContact CH2-CD1 4.14Å; W579-L604 HydrophobicContact CZ3-CD1 3.69Å; M580-L604 HydrophobicContact CE-CD2 3.92Å; M580-L604 HydrophobicContact CG-CD1 4.34Å; F583-L604 HydrophobicContact CB-CD1 4.15Å; F583-L604 HydrophobicContact CD1-CB 3.9Å; F583-L604 HydrophobicContact CD1-CD1 3.67Å; F583-L604 HydrophobicContact CD1-CG 4.32Å; F583-L604 HydrophobicContact CD2-CD1 4.36Å; F583-L604 VanDerWaalsContact CE1-CA 3.47Å; F583-L604 HydrophobicContact CE1-CB 3.64Å; F583-L604 HydrophobicContact CE1-CD1 4.16Å; F583-L604 HydrophobicContact CE1-CG 4.5Å; F583-L604 HydrophobicContact CG-CD1 3.79Å; F583-L604 HydrophobicContact CZ-CB 4.31Å; I600-L604 VanDerWaalsContact O-CB 3.25Å; I600-L604 WeakPolarHBondContact O-CB 3.31Å; I600-L604 PolarHBondContact O-N 3.18Å; Y602-L604 VanDerWaalsContact C-N 3.28Å; Y602-L604 PolarHBondContact O-N 3.23Å; L604-R607 WeakPolarHBondContact O-CB 3.43Å; L604-R607 PolarHBondContact O-N 2.67Å; L604-C608 PolarHBondContact O-N 3.49Å; L604-C608 PolarHBondContact O-SG 2.9Å
605L98.4Very high97.4Very high0 Ų036.2 Ų36.20%018%0.184CC..Hα-helixtrans-73.3-29.9-175.5-68.6-177.1000112.3V65 I144 F147 N601 Y602 C608 D609V65-L605 HydrophobicContact CB-CD1 4.03Å; V65-L605 HydrophobicContact CG1-CB 4.4Å; V65-L605 HydrophobicContact CG1-CD1 3.62Å; V65-L605 HydrophobicContact CG2-CB 4.19Å; V65-L605 HydrophobicContact CG2-CD1 4.45Å; I144-L605 HydrophobicContact CD1-CD2 3.75Å; I144-L605 HydrophobicContact CG2-CD2 4.36Å; F147-L605 HydrophobicContact CD2-CD1 3.89Å; F147-L605 HydrophobicContact CE2-CD1 3.44Å; F147-L605 VanDerWaalsContact CE2-CD1 3.44Å; F147-L605 HydrophobicContact CZ-CD1 4.42Å; N601-L605 WeakPolarHBondContact O-CB 3.43Å; N601-L605 WeakPolarHBondContact O-CG 3.42Å; N601-L605 PolarHBondContact O-N 2.91Å; Y602-L605 PolarHBondContact O-N 3.5Å; L605-C608 WeakPolarHBondContact O-CB 3.45Å; L605-C608 PolarHBondContact O-N 3.39Å; L605-D609 WeakPolarHBondContact O-CB 3.2Å; L605-D609 PolarHBondContact O-N 3.33Å
606K97.8Very high97.2Very high60 Ų6036.2 Ų36.226%0.26118%0.181SC..Hα-helixtrans-63.7-41.3169.9-173.9161.5-178.3163.50111.4D60 Y602 D609 R610D60-K606 IonicContact OD1-NZ 2.76Å; D60-K606 PolarHBondContact OD1-NZ 3.12Å; Y602-K606 HydrophobicContact CE1-CD 3.97Å; Y602-K606 HydrophobicContact CE2-CD 4.26Å; Y602-K606 WeakPolarHBondContact O-CB 3.42Å; Y602-K606 PolarHBondContact O-N 2.87Å; Y602-K606 WeakPolarHBondContact OH-CD 3.47Å; Y602-K606 PolarHBondContact OH-NZ 2.95Å; K606-D609 PolarHBondContact O-N 3.34Å; K606-R610 WeakPolarHBondContact O-CG 3.28Å; K606-R610 PolarHBondContact O-N 3.46Å
607R98.1Very high97Very high68 Ų6840.8 Ų40.826%0.25720%0.203SC..Hα-helixtrans-62.2-46.6171-177.490.7-171-179.27.2111.2W579 F583 D603 L604 D609 R610 I611 E616 Q617W579-R607 HydrophobicContact CH2-CG 3.9Å; W579-R607 HydrophobicContact CZ2-CG 4.03Å; F583-R607 HydrophobicContact CE2-CB 4.18Å; F583-R607 HydrophobicContact CE2-CG 4.32Å; D603-R607 WeakPolarHBondContact O-CB 3.31Å; D603-R607 PolarHBondContact O-N 3.02Å; L604-R607 WeakPolarHBondContact O-CB 3.43Å; L604-R607 PolarHBondContact O-N 2.67Å; R607-D609 VanDerWaalsContact C-N 3.31Å; R607-D609 PolarHBondContact O-N 2.98Å; R607-R610 PolarHBondContact O-N 3.32Å; R607-I611 HydrophobicContact CG-CD1 3.75Å; R607-I611 HydrophobicContact CG-CG1 4.44Å; R607-I611 WeakPolarHBondContact O-CG1 3.28Å; R607-I611 PolarHBondContact O-N 2.84Å; R607-E616 VanDerWaalsContact CD-OE2 3.23Å; R607-E616 WeakPolarHBondContact CD-OE2 3.22Å; R607-E616 IonicContact CZ-OE1 2.72Å; R607-E616 IonicContact CZ-OE2 3.05Å; R607-E616 IonicContact NE-OE1 3.18Å; R607-E616 IonicContact NE-OE2 2.77Å; R607-E616 PolarHBondContact NE-OE2 3.31Å; R607-E616 IonicContact NH1-OE1 3.27Å; R607-E616 PolarHBondContact NH1-OE1 3.46Å; R607-E616 IonicContact NH1-OE2 3.48Å; R607-E616 PolarHBondContact NH1-OE2 3.09Å; R607-E616 VanDerWaalsContact NH1-OE2 3.15Å; R607-E616 IonicContact NH2-OE1 3.11Å; R607-E616 PolarHBondContact NH2-OE1 2.93Å; R607-E616 IonicContact NH2-OE2 2.72Å; R607-Q617 PolarHBondContact NH2-O 2.91Å
608C98.3Very high96.9Very high0 Ų038.8 Ų38.80%019%0.191CC..Hα-helixtrans-56.8-45.5178.4-67.70000111.5L434 L604 L605 I611 A612L434-C608 HydrophobicContact CD1-CB 3.72Å; L434-C608 HydrophobicContact CD2-CB 4.33Å; L604-C608 PolarHBondContact O-N 3.49Å; L604-C608 PolarHBondContact O-SG 2.9Å; L605-C608 WeakPolarHBondContact O-CB 3.45Å; L605-C608 PolarHBondContact O-N 3.39Å; C608-I611 PolarHBondContact O-N 3.05Å; C608-A612 WeakPolarHBondContact O-CB 3.38Å; C608-A612 PolarHBondContact O-N 2.76Å
609D96.9Very high96.8Very high10 Ų1039.3 Ų39.35%0.05320%0.197CC..Hα-helixtrans-59.3-47.5177.3-178.460.5000112.2L58 T140 L605 K606 R607 I611 A612 K613L58-D609 HydrophobicContact CD1-CB 4.26Å; T140-D609 WeakPolarHBondContact CB-OD1 3.44Å; T140-D609 HydrophobicContact CG2-CB 4.4Å; T140-D609 VanDerWaalsContact CG2-OD1 3.28Å; T140-D609 WeakPolarHBondContact CG2-OD1 3.38Å; T140-D609 PolarHBondContact OG1-OD1 3.37Å; L605-D609 WeakPolarHBondContact O-CB 3.2Å; L605-D609 PolarHBondContact O-N 3.33Å; K606-D609 PolarHBondContact O-N 3.34Å; R607-D609 VanDerWaalsContact C-N 3.31Å; R607-D609 PolarHBondContact O-N 2.98Å; D609-I611 VanDerWaalsContact C-N 3.33Å; D609-I611 PolarHBondContact O-N 2.86Å; D609-A612 PolarHBondContact O-N 2.77Å; D609-K613 VanDerWaalsContact CG-NZ 3.3Å; D609-K613 WeakPolarHBondContact O-CB 3.19Å; D609-K613 WeakPolarHBondContact O-CG 3.41Å; D609-K613 PolarHBondContact O-N 3.07Å; D609-K613 WeakPolarHBondContact OD1-CE 3.47Å; D609-K613 IonicContact OD1-NZ 3.58Å; D609-K613 PolarHBondContact OD1-NZ 2.72Å; D609-K613 VanDerWaalsContact OD1-NZ 3.11Å; D609-K613 WeakPolarHBondContact OD2-CE 3.42Å; D609-K613 IonicContact OD2-NZ 3.91Å; D609-K613 PolarHBondContact OD2-NZ 3.11Å
610R97.1Very high96.7Very high92 Ų9241.9 Ų41.935%0.34721%0.209SC..Hα-helixtrans-62.4-38.5177.1-66.5-166.8-55.2-145.42.2112.7K606 R607 G614 E615 E616K606-R610 WeakPolarHBondContact O-CG 3.28Å; K606-R610 PolarHBondContact O-N 3.46Å; R607-R610 PolarHBondContact O-N 3.32Å; R610-G614 PolarHBondContact O-N 2.95Å; R610-E615 HydrophobicContact CB-CB 4.25Å; R610-E615 PolarHBondContact O-N 3.32Å; R610-E616 HydrophobicContact CB-CB 3.8Å; R610-E616 IonicContact CZ-OE2 2.72Å; R610-E616 IonicContact NE-OE2 3.37Å; R610-E616 PolarHBondContact NE-OE2 2.94Å; R610-E616 IonicContact NH2-OE1 2.75Å; R610-E616 IonicContact NH2-OE2 3.14Å; R610-E616 PolarHBondContact NH2-OE2 2.65Å; R610-E616 PolarHBondContact O-N 3.41Å
611I97.1Very high96.5Very high4 Ų441.9 Ų41.92%0.02121%0.209CC..Hα-helixtrans-65.9-48.2175.7-68.3165.6000110.4L434 T435 W579 R607 C608 D609 K613 G614 E616 C618 F622L434-I611 HydrophobicContact CD2-CB 3.92Å; L434-I611 HydrophobicContact CD2-CD1 4.29Å; L434-I611 HydrophobicContact CD2-CG2 3.6Å; L434-I611 HydrophobicContact CG-CG2 4.34Å; T435-I611 HydrophobicContact CG2-CG2 4.15Å; W579-I611 HydrophobicContact CH2-CD1 3.99Å; W579-I611 HydrophobicContact CZ2-CD1 3.81Å; R607-I611 HydrophobicContact CG-CD1 3.75Å; R607-I611 HydrophobicContact CG-CG1 4.44Å; R607-I611 WeakPolarHBondContact O-CG1 3.28Å; R607-I611 PolarHBondContact O-N 2.84Å; C608-I611 PolarHBondContact O-N 3.05Å; D609-I611 VanDerWaalsContact C-N 3.33Å; D609-I611 PolarHBondContact O-N 2.86Å; I611-K613 VanDerWaalsContact C-N 3.26Å; I611-K613 PolarHBondContact O-N 2.52Å; I611-G614 PolarHBondContact O-N 2.72Å; I611-E616 WeakPolarHBondContact CA-O 3.32Å; I611-E616 HydrophobicContact CG1-CB 4.25Å; I611-E616 HydrophobicContact CG1-CG 4.23Å; I611-C618 HydrophobicContact CD1-CB 3.82Å; I611-C618 HydrophobicContact CG1-CB 4.18Å; I611-C618 HydrophobicContact CG2-CB 4.26Å; I611-F622 HydrophobicContact CG2-CE1 3.63Å; I611-F622 HydrophobicContact CG2-CZ 3.91Å
612A94.9Very high96.2Very high20 Ų2042.8 Ų42.817%0.16521%0.213CC..Hα-helixtrans-62.8-31.6-179.900000112.8L434 C608 D609 G614L434-A612 HydrophobicContact CD1-CB 4.19Å; C608-A612 WeakPolarHBondContact O-CB 3.38Å; C608-A612 PolarHBondContact O-N 2.76Å; D609-A612 PolarHBondContact O-N 2.77Å; A612-G614 VanDerWaalsContact C-N 3.3Å
613K93.1Very high95.9Very high106 Ų10643 Ų4346%0.46122%0.217SC..THydrogen-bonded Turntrans-80.1-7.5173.7-71.2172.6177.2164.60114D609 I611 E615D609-K613 VanDerWaalsContact CG-NZ 3.3Å; D609-K613 WeakPolarHBondContact O-CB 3.19Å; D609-K613 WeakPolarHBondContact O-CG 3.41Å; D609-K613 PolarHBondContact O-N 3.07Å; D609-K613 WeakPolarHBondContact OD1-CE 3.47Å; D609-K613 IonicContact OD1-NZ 3.58Å; D609-K613 PolarHBondContact OD1-NZ 2.72Å; D609-K613 VanDerWaalsContact OD1-NZ 3.11Å; D609-K613 WeakPolarHBondContact OD2-CE 3.42Å; D609-K613 IonicContact OD2-NZ 3.91Å; D609-K613 PolarHBondContact OD2-NZ 3.11Å; I611-K613 VanDerWaalsContact C-N 3.26Å; I611-K613 PolarHBondContact O-N 2.52Å; K613-E615 HydrophobicContact CB-CG 3.91Å; K613-E615 WeakPolarHBondContact CD-OE1 3.46Å; K613-E615 PolarHBondContact O-N 2.6Å
614G92.1Very high95.3Very high47 Ų4746.5 Ų46.549%0.48524%0.236SC..THydrogen-bonded Turntrans72.410.8-175.800000114.4R610 I611 A612 E616R610-G614 PolarHBondContact O-N 2.95Å; I611-G614 PolarHBondContact O-N 2.72Å; A612-G614 VanDerWaalsContact C-N 3.3Å; G614-E616 PolarHBondContact O-N 2.66Å
615E94.8Very high94.2Very high131 Ų13147.8 Ų47.861%0.61224%0.244SC*.SBendtrans-71.3-21.8174.2-62.5172.1-17600111.4R610 K613R610-E615 HydrophobicContact CB-CB 4.25Å; R610-E615 PolarHBondContact O-N 3.32Å; K613-E615 HydrophobicContact CB-CG 3.91Å; K613-E615 WeakPolarHBondContact CD-OE1 3.46Å; K613-E615 PolarHBondContact O-N 2.6Å
616E95.5Very high92.5Very high42 Ų4252.6 Ų52.620%0.19627%0.273CS..SBendtrans-138.4130.9-176.3-176.6140.3-12900111.2R607 R610 I611 G614R607-E616 VanDerWaalsContact CD-OE2 3.23Å; R607-E616 WeakPolarHBondContact CD-OE2 3.22Å; R607-E616 IonicContact CZ-OE1 2.72Å; R607-E616 IonicContact CZ-OE2 3.05Å; R607-E616 IonicContact NE-OE1 3.18Å; R607-E616 IonicContact NE-OE2 2.77Å; R607-E616 PolarHBondContact NE-OE2 3.31Å; R607-E616 IonicContact NH1-OE1 3.27Å; R607-E616 PolarHBondContact NH1-OE1 3.46Å; R607-E616 IonicContact NH1-OE2 3.48Å; R607-E616 PolarHBondContact NH1-OE2 3.09Å; R607-E616 VanDerWaalsContact NH1-OE2 3.15Å; R607-E616 IonicContact NH2-OE1 3.11Å; R607-E616 PolarHBondContact NH2-OE1 2.93Å; R607-E616 IonicContact NH2-OE2 2.72Å; R610-E616 HydrophobicContact CB-CB 3.8Å; R610-E616 IonicContact CZ-OE2 2.72Å; R610-E616 IonicContact NE-OE2 3.37Å; R610-E616 PolarHBondContact NE-OE2 2.94Å; R610-E616 IonicContact NH2-OE1 2.75Å; R610-E616 IonicContact NH2-OE2 3.14Å; R610-E616 PolarHBondContact NH2-OE2 2.65Å; R610-E616 PolarHBondContact O-N 3.41Å; I611-E616 WeakPolarHBondContact CA-O 3.32Å; I611-E616 HydrophobicContact CG1-CB 4.25Å; I611-E616 HydrophobicContact CG1-CG 4.23Å; G614-E616 PolarHBondContact O-N 2.66Å
617Q93.7Very high90.4Very high96 Ų9654.6 Ų54.645%0.44929%0.287SS..  trans-82.4151177-62.7-63.7-45.600111R607R607-Q617 PolarHBondContact NH2-O 2.91Å
618C96.2Very high88.2Confident1 Ų156.7 Ų56.71%0.00730%0.295CS..  trans-140.277.1173-1650000110.8W579 I611 E620 L621 F622W579-C618 PolarHBondContact NE1-SG 2.89Å; I611-C618 HydrophobicContact CD1-CB 3.82Å; I611-C618 HydrophobicContact CG1-CB 4.18Å; I611-C618 HydrophobicContact CG2-CB 4.26Å; C618-E620 PolarHBondContact O-N 2.83Å; C618-E620 VanDerWaalsContact O-N 3.12Å; C618-E620 PolarHBondContact SG-OE2 2.76Å; C618-E620 VanDerWaalsContact SG-OE2 3.32Å; C618-L621 HydrophobicContact CB-CB 4.41Å; C618-L621 HydrophobicContact CB-CD1 4.3Å; C618-L621 PolarHBondContact O-N 3.19Å; C618-L621 VanDerWaalsContact O-N 3.08Å; C618-F622 HydrophobicContact CB-CE1 3.9Å; C618-F622 HydrophobicContact CB-CZ 3.89Å; C618-F622 PolarHBondContact O-N 3.24Å
619P96.2Very high85.4Confident57 Ų5762 Ų6237%0.3733%0.327SS..Hα-helixtrans-61.9-19.2-17826.1-34.9000113.7L573 L621 G623L573-P619 WeakPolarHBondContact CD2-O 3.12Å; P619-L621 VanDerWaalsContact C-N 3.34Å; P619-G623 WeakPolarHBondContact CA-O 3.28Å; P619-G623 WeakPolarHBondContact O-CA 3.23Å; P619-G623 PolarHBondContact O-N 3.46Å
620E96.9Very high82.4Confident91 Ų9174.5 Ų74.543%0.42538%0.381SS..Hα-helixtrans-69.6-28.7175.3-54.687165.400113L573 M574 C618L573-E620 WeakPolarHBondContact CD2-O 3.48Å; M574-E620 PolarHBondContact N-O 3.02Å; M574-E620 HydrophobicContact SD-CB 4.37Å; C618-E620 PolarHBondContact O-N 2.83Å; C618-E620 VanDerWaalsContact O-N 3.12Å; C618-E620 PolarHBondContact SG-OE2 2.76Å; C618-E620 VanDerWaalsContact SG-OE2 3.32Å
621L94.2Very high81.7Confident0 Ų073.7 Ų73.70%038%0.383CS..Hα-helixtrans-91.5-45.6-178-81.3176.2000113.1L434 R568 M576 W579 C618 P619L434-L621 HydrophobicContact CD2-CD1 4.23Å; R568-L621 PolarHBondContact NH2-O 2.93Å; M576-L621 HydrophobicContact SD-CD1 3.87Å; M576-L621 HydrophobicContact SD-CD2 4.03Å; W579-L621 HydrophobicContact CB-CD2 3.49Å; W579-L621 VanDerWaalsContact CB-CD2 3.49Å; W579-L621 HydrophobicContact CB-CG 4.07Å; W579-L621 HydrophobicContact CD2-CD1 3.85Å; W579-L621 HydrophobicContact CD2-CD2 4.37Å; W579-L621 HydrophobicContact CD2-CG 4.16Å; W579-L621 HydrophobicContact CE3-CD1 4.2Å; W579-L621 HydrophobicContact CG-CD1 4Å; W579-L621 HydrophobicContact CG-CD2 3.75Å; W579-L621 HydrophobicContact CG-CG 3.75Å; C618-L621 HydrophobicContact CB-CB 4.41Å; C618-L621 HydrophobicContact CB-CD1 4.3Å; C618-L621 PolarHBondContact O-N 3.19Å; C618-L621 VanDerWaalsContact O-N 3.08Å; P619-L621 VanDerWaalsContact C-N 3.34Å
622F93.8Very high80.9Confident20 Ų2077.3 Ų77.39%0.08840%0.402CS..Hα-helixtrans-134.76.8-171.448.6-104.2000113.9T435 F437 E438 L564 I611 C618 P625T435-F622 HydrophobicContact CG2-CD1 4.22Å; T435-F622 HydrophobicContact CG2-CE1 3.84Å; F437-F622 HydrophobicContact CD1-CB 4.08Å; F437-F622 HydrophobicContact CE1-CB 4.07Å; E438-F622 HydrophobicContact CG-CB 4.21Å; L564-F622 HydrophobicContact CD1-CB 4.07Å; I611-F622 HydrophobicContact CG2-CE1 3.63Å; I611-F622 HydrophobicContact CG2-CZ 3.91Å; C618-F622 HydrophobicContact CB-CE1 3.9Å; C618-F622 HydrophobicContact CB-CZ 3.89Å; C618-F622 PolarHBondContact O-N 3.24Å; F622-P625 HydrophobicContact CD2-CG 4.19Å
623G92.1Very high80.1Confident12 Ų1280.5 Ų80.512%0.12442%0.415CS..  trans65.9-149.8-176.400000112.2P619 P625P619-G623 WeakPolarHBondContact CA-O 3.28Å; P619-G623 WeakPolarHBondContact O-CA 3.23Å; P619-G623 PolarHBondContact O-N 3.46Å; G623-P625 VanDerWaalsContact C-CD 3.49Å; G623-P625 VanDerWaalsContact O-CD 3.26Å; G623-P625 WeakPolarHBondContact O-CD 3.49Å
624N86.6Confident79.3Confident120 Ų12079 Ų7964%0.64241%0.412SS*.  trans-111.880.8172-63.1-46.5000107.9V626N624-V626 PolarHBondContact O-N 3.37Å
625P74.7Confident78.5Confident26 Ų2681 Ų8117%0.16941%0.408CS..  trans-58.6139.7176.525.1-31.8000108.6F437 F622 G623 N627F437-P625 HydrophobicContact CD2-CB 4.23Å; F437-P625 HydrophobicContact CE1-CB 4.23Å; F437-P625 HydrophobicContact CE1-CG 4.46Å; F437-P625 HydrophobicContact CE2-CB 3.81Å; F437-P625 HydrophobicContact CZ-CB 3.82Å; F622-P625 HydrophobicContact CD2-CG 4.19Å; G623-P625 VanDerWaalsContact C-CD 3.49Å; G623-P625 VanDerWaalsContact O-CD 3.26Å; G623-P625 WeakPolarHBondContact O-CD 3.49Å; P625-N627 PolarHBondContact O-N 3.3Å
626V63Low77.5Confident101 Ų10177.7 Ų77.761%0.61239%0.394SS*.  trans-73.188.7176.6-176.30000106.6N624 R628N624-V626 PolarHBondContact O-N 3.37Å; V626-R628 PolarHBondContact O-N 3.15Å
627N53Low76.2Confident102 Ų10280.2 Ų80.255%0.54541%0.408SS..  trans-60.5109.2178.9-79.5-12.8000109.1P625P625-N627 PolarHBondContact O-N 3.3Å
628R53Low74.8Confident113 Ų11379 Ų7943%0.42641%0.405SS..  trans-82.7120.5158.2-66.1-178.8176.5-149.31.2105.3D553 C556 V626D553-R628 VanDerWaalsContact CB-NH1 3.27Å; D553-R628 IonicContact OD1-CZ 2.72Å; D553-R628 IonicContact OD1-NH1 3.14Å; D553-R628 PolarHBondContact OD1-NH1 3.08Å; D553-R628 IonicContact OD1-NH2 3.71Å; D553-R628 PolarHBondContact OD1-NH2 3.24Å; D553-R628 IonicContact OD2-NH1 2.62Å; C556-R628 PolarHBondContact SG-NH2 3.31Å; C556-R628 VanDerWaalsContact SG-NH2 3.44Å; V626-R628 PolarHBondContact O-N 3.15Å
629V39.6Very low73Confident112 Ų11285.5 Ų85.568%0.67944%0.439SS*.  trans91.395.9-179.2-163.70000114.8
630K33.5Very low70.9Confident272 Ų27288.1 Ų88.1100%1.18345%0.445SS*.  trans-73.40133-92.3-173.3175.7-178.20108.9

Retrieved 630 of 630 residues in 2012.6 ms (Link to these results)

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