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Peroxiredoxin-2

Thiol-specific peroxidase that catalyzes the reduction of hydrogen peroxide and organic hydroperoxides to water and alcohols, respectively. Plays a role in cell protection against oxidative stress by detoxifying peroxides and as sensor of hydrogen peroxide-mediated signaling events. Might participate in the signaling cascades of growth factors and tumor necrosis factor-alpha by regulating the intracellular concentrations of H(2)O(2).

AlphaFold DB , UniProt , Accession A0A087Y479, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 198 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
1M47.4Very low84.7Confident175 Ų17587.3 Ų87.386%0.86251%0.513SS*.  0135.90-63.9-153.1-67.800107.6I144M1-I144 HydrophobicContact CE-CD1 4.38Å; M1-I144 HydrophobicContact SD-CD1 3.53Å; M1-I144 VanDerWaalsContact SD-CD1 3.53Å
2S52.9Low85.8Confident27 Ų2780.8 Ų80.819%0.18948%0.477CS..  trans-61150.8168.452.30000109G4S2-G4 PolarHBondContact O-N 3.19Å
3S66.8Low86.8Confident122 Ų12275.8 Ų75.885%0.85345%0.448SS*.  trans-69.277.4172.253.30000109.3
4G83.1Confident87.5Confident26 Ų2676.3 Ų76.327%0.26844%0.444SS..  trans-68.5165.6177.700000112.7S2S2-G4 PolarHBondContact O-N 3.19Å
5N93.6Very high88.2Confident101 Ų10172 Ų7254%0.5442%0.418SS..SBendtrans-89.4-12.4178.8-66.5-37.2000112.8Q7 P13 D115N5-Q7 PolarHBondContact O-N 3.02Å; N5-P13 HydrophobicContact CB-CG 4.16Å; N5-D115 WeakPolarHBondContact CA-O 3.36Å; N5-D115 PolarHBondContact N-O 3.31Å; N5-D115 PolarHBondContact ND2-OD1 3.13Å
6A97.1Very high88.9Confident18 Ų1875 Ų7515%0.14942%0.424CS..  trans-69.1118.5179.800000112.7P13 D115 Y116 F131 L139A6-P13 HydrophobicContact CB-CG 3.92Å; A6-D115 PolarHBondContact N-O 2.85Å; A6-Y116 HydrophobicContact CB-CD1 4.46Å; A6-F131 HydrophobicContact CB-CE1 3.99Å; A6-L139 HydrophobicContact CB-CD2 3.79Å
7Q97.9Very high89.4Confident111 Ų11171.5 Ų71.552%0.51941%0.407SS..  trans-134.8130.9179.2-62.5178.626.800110.8N5 G9 K10N5-Q7 PolarHBondContact O-N 3.02Å; Q7-G9 PolarHBondContact O-N 3.24Å; Q7-K10 HydrophobicContact CB-CB 4.11Å; Q7-K10 HydrophobicContact CB-CG 3.84Å; Q7-K10 WeakPolarHBondContact O-CB 3.26Å; Q7-K10 PolarHBondContact O-N 3.21Å
8I98.4Very high89.9Confident109 Ų10970.4 Ų70.456%0.55940%0.402SS*.THydrogen-bonded Turntrans-61.2137177.3-66178.9000110K10 L139 I142I8-K10 PolarHBondContact O-N 2.83Å; I8-L139 WeakPolarHBondContact CA-O 3.25Å; I8-I142 HydrophobicContact CD1-CD1 4.5Å; I8-I142 HydrophobicContact CD1-CG1 4.32Å; I8-I142 HydrophobicContact CG1-CD1 4.01Å; I8-I142 HydrophobicContact CG1-CG1 4.04Å
9G97.7Very high90.4Very high52 Ų5266.7 Ų66.754%0.53638%0.381SS..THydrogen-bonded Turntrans77.74.5-178.200000114.4Q7 L139Q7-G9 PolarHBondContact O-N 3.24Å; G9-L139 PolarHBondContact N-O 2.9Å
10K98.3Very high90.8Very high117 Ų11763.5 Ų63.551%0.50936%0.362SS..SBendtrans-111.7163.1172.1-58.5-59.1-177.6-176.30110.3Q7 I8 A12 T138 L139Q7-K10 HydrophobicContact CB-CB 4.11Å; Q7-K10 HydrophobicContact CB-CG 3.84Å; Q7-K10 WeakPolarHBondContact O-CB 3.26Å; Q7-K10 PolarHBondContact O-N 3.21Å; I8-K10 PolarHBondContact O-N 2.83Å; K10-A12 PolarHBondContact O-N 3.25Å; K10-T138 WeakPolarHBondContact O-CA 3.4Å; K10-T138 WeakPolarHBondContact O-CG2 3.25Å; K10-L139 PolarHBondContact O-N 3.12Å
11P98.1Very high91.2Very high102 Ų10261.7 Ų61.766%0.66235%0.352SS*.BIsolated β-bridgetrans-52132.8168.7-25.935.6000110.5G137P11-G137 WeakPolarHBondContact CA-O 3.39Å
12A98.4Very high93.5Very high10 Ų1058.9 Ų58.98%0.08334%0.341CS..PPolyproline II helixtrans-63.2146.2174.400000110.2K10 E14 L30 I133 G137 L139K10-A12 PolarHBondContact O-N 3.25Å; A12-E14 PolarHBondContact O-N 3.18Å; A12-L30 HydrophobicContact CB-CD2 3.92Å; A12-I133 HydrophobicContact CB-CD1 3.66Å; A12-I133 HydrophobicContact CB-CG1 3.74Å; A12-I133 HydrophobicContact CB-CG2 3.99Å; A12-G137 PolarHBondContact N-O 2.71Å; A12-L139 HydrophobicContact CB-CB 4.24Å
13P98.2Very high95.5Very high15 Ų1559.6 Ų59.610%0.09735%0.353CS..PPolyproline II helixtrans-56.5125.1176.5-22.432.3000110.8N5 A6 D115 Y116N5-P13 HydrophobicContact CB-CG 4.16Å; A6-P13 HydrophobicContact CB-CG 3.92Å; P13-D115 HydrophobicContact CB-CB 4Å; P13-Y116 HydrophobicContact CB-CD2 4.09Å; P13-Y116 HydrophobicContact CB-CE2 3.73Å; P13-Y116 HydrophobicContact CG-CD2 4.26Å; P13-Y116 HydrophobicContact CG-CE2 4.14Å; P13-Y116 WeakPolarHBondContact O-CE2 3.47Å; P13-Y116 PolarHBondContact O-OH 3.15Å
14E97.7Very high97Very high83 Ų8359.6 Ų59.639%0.38834%0.339SS..PPolyproline II helixtrans-70145.2-179.9-173.164.4-110.500109.7A12 L30 S31 K34A12-E14 PolarHBondContact O-N 3.18Å; E14-L30 VanDerWaalsContact OE1-CB 3.31Å; E14-L30 WeakPolarHBondContact OE1-CB 3.3Å; E14-L30 PolarHBondContact OE1-N 2.86Å; E14-S31 PolarHBondContact OE1-N 2.93Å; E14-K34 IonicContact OE2-NZ 3.73Å; E14-K34 PolarHBondContact OE2-NZ 3.22Å
15F98.1Very high97.7Very high12 Ų1262.7 Ų62.75%0.05335%0.345CS..  trans-143155.7172.264.5-99.5000111I28 K29 L30 V41 I74 V105 I112 Y116F15-I28 HydrophobicContact CE2-CG1 4.49Å; F15-K29 VanDerWaalsContact O-CA 3.25Å; F15-K29 WeakPolarHBondContact O-CA 3.45Å; F15-L30 HydrophobicContact CD1-CB 3.93Å; F15-L30 HydrophobicContact CD1-CD2 4.45Å; F15-L30 HydrophobicContact CE1-CB 3.72Å; F15-L30 HydrophobicContact CE1-CD1 4.1Å; F15-L30 HydrophobicContact CE1-CD2 4.26Å; F15-L30 HydrophobicContact CE1-CG 4.24Å; F15-L30 HydrophobicContact CE2-CB 4.5Å; F15-L30 HydrophobicContact CG-CB 4.43Å; F15-L30 HydrophobicContact CZ-CB 4.01Å; F15-L30 HydrophobicContact CZ-CD1 4.38Å; F15-L30 PolarHBondContact O-N 2.88Å; F15-L30 VanDerWaalsContact O-N 3.12Å; F15-V41 HydrophobicContact CE1-CG2 4.18Å; F15-V41 HydrophobicContact CZ-CG2 4.38Å; F15-I74 HydrophobicContact CZ-CD1 4.28Å; F15-V105 HydrophobicContact CE2-CG2 4.44Å; F15-I112 HydrophobicContact CB-CD1 3.8Å; F15-I112 HydrophobicContact CB-CG1 3.82Å; F15-I112 HydrophobicContact CB-CG2 4.01Å; F15-I112 HydrophobicContact CD1-CG2 4.1Å; F15-I112 HydrophobicContact CD2-CD1 4.12Å; F15-I112 HydrophobicContact CG-CD1 4.09Å; F15-I112 HydrophobicContact CG-CG1 4.49Å; F15-I112 HydrophobicContact CG-CG2 4.11Å; F15-Y116 HydrophobicContact CD1-CE2 4.02Å
16K98.2Very high97.9Very high120 Ų12061.8 Ų61.852%0.52234%0.337SS..EExtended strand (participates in β ladder)trans-141.2117.3176176.4-176.8-176.6-162.80107.6E27 I28 K29K16-E27 WeakPolarHBondContact CE-OE1 2.87Å; K16-E27 WeakPolarHBondContact CE-OE2 3.47Å; K16-E27 HydrophobicContact CG-CG 4.2Å; K16-E27 IonicContact NZ-OE1 3.02Å; K16-E27 PolarHBondContact NZ-OE1 3.15Å; K16-E27 IonicContact NZ-OE2 3.18Å; K16-E27 PolarHBondContact NZ-OE2 2.74Å; K16-I28 WeakPolarHBondContact CA-O 3.46Å; K16-K29 HydrophobicContact CB-CG 3.97Å; K16-K29 HydrophobicContact CD-CD 4.47Å; K16-K29 HydrophobicContact CD-CG 4.33Å; K16-K29 HydrophobicContact CG-CD 4.43Å; K16-K29 HydrophobicContact CG-CG 3.77Å
17A98.3Very high98Very high15 Ų1566.3 Ų66.312%0.12436%0.355CS..EExtended strand (participates in β ladder)trans-154.8160.8-176.400000112.8I28 V105 I112A17-I28 PolarHBondContact N-O 3.32Å; A17-I28 PolarHBondContact O-N 2.81Å; A17-V105 HydrophobicContact CB-CG1 3.63Å; A17-I112 HydrophobicContact CB-CD1 3.8Å
18T98.7Very high97.9Very high52 Ų5261.7 Ų61.732%0.31933%0.333SS..EExtended strand (participates in β ladder)trans-72.1132.9170.2-54.30000109.5F25 H81 A106T18-F25 HydrophobicContact CG2-CB 4.21Å; T18-H81 HydrophobicContact CG2-CB 3.9Å; T18-A106 WeakPolarHBondContact O-CB 2.76Å; T18-A106 PolarHBondContact O-N 2.8Å
19A98.8Very high97.9Very high0 Ų060 Ų600%032%0.322CS..EExtended strand (participates in β ladder)trans-127.4157174.200000111V21 F25 K26 I28 P103 L104 V105A19-V21 HydrophobicContact CB-CG2 4.06Å; A19-F25 WeakPolarHBondContact O-CA 3.14Å; A19-K26 PolarHBondContact N-O 2.71Å; A19-K26 PolarHBondContact O-N 2.88Å; A19-I28 HydrophobicContact CB-CD1 3.96Å; A19-I28 HydrophobicContact CB-CG1 4.07Å; A19-I28 HydrophobicContact CB-CG2 4.3Å; A19-P103 HydrophobicContact CB-CB 4.35Å; A19-L104 CarbonylContact C-O 3.6Å; A19-L104 WeakPolarHBondContact CA-O 3.35Å; A19-L104 WeakPolarHBondContact CB-O 3.49Å; A19-V105 HydrophobicContact CB-CG2 3.99Å
20V98.7Very high97.9Very high2 Ų257.7 Ų57.71%0.01230%0.298CS..EExtended strand (participates in β ladder)trans-89.4119.2164.3-171.40000108.3Q24 F25 H81 H84 L85 I88 P103 L104V20-Q24 CarbonylContact C-O 3.54Å; V20-Q24 WeakPolarHBondContact CA-O 3.01Å; V20-F25 HydrophobicContact CG2-CD1 4.07Å; V20-F25 HydrophobicContact CG2-CE1 4.04Å; V20-H81 HydrophobicContact CG2-CB 4.18Å; V20-H81 VanDerWaalsContact CG2-O 3.28Å; V20-H81 WeakPolarHBondContact CG2-O 3.3Å; V20-H84 HydrophobicContact CB-CB 4.47Å; V20-H84 HydrophobicContact CG2-CB 3.63Å; V20-L85 HydrophobicContact CG1-CD1 4.1Å; V20-L85 HydrophobicContact CG2-CB 4.24Å; V20-I88 HydrophobicContact CB-CD1 3.98Å; V20-I88 HydrophobicContact CG1-CD1 3.59Å; V20-P103 WeakPolarHBondContact O-CA 3.48Å; V20-L104 PolarHBondContact N-O 2.93Å; V20-L104 PolarHBondContact O-N 2.88Å; V20-L104 VanDerWaalsContact O-N 3.16Å
21V98.3Very high97.7Very high26 Ų2654.3 Ų54.316%0.15829%0.289CS..EExtended strand (participates in β ladder)trans-133.1120.1-178.8-170.40000108.3A19 G23 Q24 K26 I28 P103A19-V21 HydrophobicContact CB-CG2 4.06Å; V21-G23 PolarHBondContact O-N 3.32Å; V21-Q24 PolarHBondContact N-O 2.92Å; V21-Q24 PolarHBondContact O-N 2.63Å; V21-K26 HydrophobicContact CB-CB 4.46Å; V21-K26 HydrophobicContact CB-CD 3.95Å; V21-K26 HydrophobicContact CB-CG 4.3Å; V21-K26 HydrophobicContact CG1-CD 4.32Å; V21-K26 HydrophobicContact CG2-CB 4.13Å; V21-K26 HydrophobicContact CG2-CD 4.4Å; V21-I28 HydrophobicContact CG2-CG2 4.33Å; V21-P103 HydrophobicContact CG2-CB 3.87Å
22D95.4Very high97.5Very high116 Ų11654 Ų5462%0.6228%0.282SS*.THydrogen-bonded Turntrans52.238.4-176.3-49.3-47.9000112.8Q24 K26D22-Q24 VanDerWaalsContact C-N 3.25Å; D22-Q24 PolarHBondContact O-N 3.07Å; D22-K26 IonicContact OD2-NZ 3.24Å
23G95.8Very high97.2Very high42 Ų4255.3 Ų55.343%0.43328%0.284SS..THydrogen-bonded Turntrans74.37-178.300000115.3V21V21-G23 PolarHBondContact O-N 3.32Å
24Q97.8Very high96.6Very high123 Ų12359.7 Ų59.758%0.57530%0.302SS*.EExtended strand (participates in β ladder)trans-116.5152.9179.7-59.9-179.714.900111.5V20 V21 D22V20-Q24 CarbonylContact C-O 3.54Å; V20-Q24 WeakPolarHBondContact CA-O 3.01Å; V21-Q24 PolarHBondContact N-O 2.92Å; V21-Q24 PolarHBondContact O-N 2.63Å; D22-Q24 VanDerWaalsContact C-N 3.25Å; D22-Q24 PolarHBondContact O-N 3.07Å
25F98.5Very high95.8Very high90 Ų9059.6 Ų59.640%0.39532%0.323SS..EExtended strand (participates in β ladder)trans-79.6121.2171.5-53.9-35.7000109.9T18 A19 V20 H81 F82 L85T18-F25 HydrophobicContact CG2-CB 4.21Å; A19-F25 WeakPolarHBondContact O-CA 3.14Å; V20-F25 HydrophobicContact CG2-CD1 4.07Å; V20-F25 HydrophobicContact CG2-CE1 4.04Å; F25-H81 HydrophobicContact CD1-CB 4.12Å; F25-H81 AromaticContact CD1-CD2 3.71Å; F25-H81 AromaticContact CD2-CD2 3.88Å; F25-H81 HydrophobicContact CE1-CB 4.2Å; F25-H81 AromaticContact CE1-CD2 3.69Å; F25-H81 WeakPolarHBondContact CE1-O 3.43Å; F25-H81 AromaticContact CE2-CD2 3.86Å; F25-H81 AromaticContact CG-CD2 3.81Å; F25-H81 AromaticContact CZ-CD2 3.77Å; F25-F82 HydrophobicContact CE2-CD1 4.01Å; F25-F82 AromaticContact CE2-CE1 3.73Å; F25-F82 HydrophobicContact CE2-CE1 3.73Å; F25-F82 AromaticContact CZ-CD1 3.77Å; F25-F82 HydrophobicContact CZ-CD1 3.77Å; F25-F82 AromaticContact CZ-CE1 4Å; F25-F82 HydrophobicContact CZ-CE1 4Å; F25-L85 HydrophobicContact CE1-CB 3.97Å; F25-L85 HydrophobicContact CE1-CD2 3.75Å; F25-L85 HydrophobicContact CE1-CG 4.45Å; F25-L85 HydrophobicContact CZ-CB 4.38Å; F25-L85 HydrophobicContact CZ-CD2 3.63Å
26K98.3Very high95.2Very high83 Ų8360.8 Ų60.836%0.36134%0.339SS..EExtended strand (participates in β ladder)trans-131144.1175.3-61.4-172.1-1711650109.5A19 V21 D22A19-K26 PolarHBondContact N-O 2.71Å; A19-K26 PolarHBondContact O-N 2.88Å; V21-K26 HydrophobicContact CB-CB 4.46Å; V21-K26 HydrophobicContact CB-CD 3.95Å; V21-K26 HydrophobicContact CB-CG 4.3Å; V21-K26 HydrophobicContact CG1-CD 4.32Å; V21-K26 HydrophobicContact CG2-CB 4.13Å; V21-K26 HydrophobicContact CG2-CD 4.4Å; D22-K26 IonicContact OD2-NZ 3.24Å
27E98.2Very high95Very high113 Ų11358.8 Ų58.853%0.52833%0.33SS..EExtended strand (participates in β ladder)trans-81.2127.4167.7-172.5-179.988.700108.3K16K16-E27 WeakPolarHBondContact CE-OE1 2.87Å; K16-E27 WeakPolarHBondContact CE-OE2 3.47Å; K16-E27 HydrophobicContact CG-CG 4.2Å; K16-E27 IonicContact NZ-OE1 3.02Å; K16-E27 PolarHBondContact NZ-OE1 3.15Å; K16-E27 IonicContact NZ-OE2 3.18Å; K16-E27 PolarHBondContact NZ-OE2 2.74Å
28I97.2Very high95.1Very high13 Ų1358.5 Ų58.57%0.06733%0.326CS..EExtended strand (participates in β ladder)trans-122.9149.4174.673.3171.7000110.2F15 K16 A17 A19 V21 I74 P103 V105F15-I28 HydrophobicContact CE2-CG1 4.49Å; K16-I28 WeakPolarHBondContact CA-O 3.46Å; A17-I28 PolarHBondContact N-O 3.32Å; A17-I28 PolarHBondContact O-N 2.81Å; A19-I28 HydrophobicContact CB-CD1 3.96Å; A19-I28 HydrophobicContact CB-CG1 4.07Å; A19-I28 HydrophobicContact CB-CG2 4.3Å; V21-I28 HydrophobicContact CG2-CG2 4.33Å; I28-I74 HydrophobicContact CD1-CD1 4.38Å; I28-I74 HydrophobicContact CD1-CG2 4.22Å; I28-P103 HydrophobicContact CD1-CB 4.11Å; I28-P103 HydrophobicContact CD1-CG 4.43Å; I28-V105 HydrophobicContact CD1-CG2 3.43Å; I28-V105 VanDerWaalsContact CD1-CG2 3.43Å; I28-V105 HydrophobicContact CG1-CG2 4.01Å
29K97.6Very high95.1Very high73 Ų7356.2 Ų56.232%0.31731%0.312SS..EExtended strand (participates in β ladder)trans-123.6147.7173.6-58.2167.7-169.7167.50109.4F15 K16 S31 D32F15-K29 VanDerWaalsContact O-CA 3.25Å; F15-K29 WeakPolarHBondContact O-CA 3.45Å; K16-K29 HydrophobicContact CB-CG 3.97Å; K16-K29 HydrophobicContact CD-CD 4.47Å; K16-K29 HydrophobicContact CD-CG 4.33Å; K16-K29 HydrophobicContact CG-CD 4.43Å; K16-K29 HydrophobicContact CG-CG 3.77Å; K29-S31 WeakPolarHBondContact CB-OG 3.3Å; K29-S31 PolarHBondContact O-N 3.23Å; K29-D32 PolarHBondContact N-OD2 2.94Å; K29-D32 VanDerWaalsContact O-CB 3.3Å; K29-D32 WeakPolarHBondContact O-CB 3.46Å; K29-D32 PolarHBondContact O-N 3.32Å
30L97.1Very high95.1Very high5 Ų556.2 Ų56.23%0.02631%0.312CS..G310 helixtrans-60.3-33.9172.7179.963.4000110.7A12 E14 F15 D32 Y33 V39 Y116 I133A12-L30 HydrophobicContact CB-CD2 3.92Å; E14-L30 VanDerWaalsContact OE1-CB 3.31Å; E14-L30 WeakPolarHBondContact OE1-CB 3.3Å; E14-L30 PolarHBondContact OE1-N 2.86Å; F15-L30 HydrophobicContact CD1-CB 3.93Å; F15-L30 HydrophobicContact CD1-CD2 4.45Å; F15-L30 HydrophobicContact CE1-CB 3.72Å; F15-L30 HydrophobicContact CE1-CD1 4.1Å; F15-L30 HydrophobicContact CE1-CD2 4.26Å; F15-L30 HydrophobicContact CE1-CG 4.24Å; F15-L30 HydrophobicContact CE2-CB 4.5Å; F15-L30 HydrophobicContact CG-CB 4.43Å; F15-L30 HydrophobicContact CZ-CB 4.01Å; F15-L30 HydrophobicContact CZ-CD1 4.38Å; F15-L30 PolarHBondContact O-N 2.88Å; F15-L30 VanDerWaalsContact O-N 3.12Å; L30-D32 PolarHBondContact O-N 3.09Å; L30-D32 VanDerWaalsContact O-N 3.15Å; L30-Y33 PolarHBondContact O-N 3.38Å; L30-Y33 VanDerWaalsContact O-N 3.15Å; L30-V39 HydrophobicContact CD1-CB 4.45Å; L30-V39 HydrophobicContact CD1-CG1 4.28Å; L30-V39 HydrophobicContact CD1-CG2 4.43Å; L30-Y116 WeakPolarHBondContact CD2-OH 3.27Å; L30-I133 HydrophobicContact CD1-CD1 3.99Å; L30-I133 HydrophobicContact CD2-CD1 4.08Å
31S95.7Very high95.1Very high46 Ų4656.1 Ų56.132%0.32231%0.311SS..G310 helixtrans-57.5-23173.364.90000115.2E14 K29 Y33 K34E14-S31 PolarHBondContact OE1-N 2.93Å; K29-S31 WeakPolarHBondContact CB-OG 3.3Å; K29-S31 PolarHBondContact O-N 3.23Å; S31-Y33 PolarHBondContact O-N 2.78Å; S31-K34 WeakPolarHBondContact O-CB 3.32Å; S31-K34 PolarHBondContact O-N 2.84Å; S31-K34 VanDerWaalsContact O-N 3.15Å
32D93.7Very high95.1Very high96 Ų9654.9 Ų54.951%0.51330%0.304SS..G310 helixtrans-67.5-15.9179.6-59-22.6000112.2K29 L30K29-D32 PolarHBondContact N-OD2 2.94Å; K29-D32 VanDerWaalsContact O-CB 3.3Å; K29-D32 WeakPolarHBondContact O-CB 3.46Å; K29-D32 PolarHBondContact O-N 3.32Å; L30-D32 PolarHBondContact O-N 3.09Å; L30-D32 VanDerWaalsContact O-N 3.15Å
33Y92.3Very high95.3Very high37 Ų3749.4 Ų49.415%0.14527%0.274CS..G310 helixtrans-101.9-5.3178.8-57.3-91.3000113L30 S31 V39 E72 I74L30-Y33 PolarHBondContact O-N 3.38Å; L30-Y33 VanDerWaalsContact O-N 3.15Å; S31-Y33 PolarHBondContact O-N 2.78Å; Y33-V39 HydrophobicContact CD1-CG2 4.1Å; Y33-V39 HydrophobicContact CD2-CG2 4.48Å; Y33-V39 HydrophobicContact CG-CG2 3.74Å; Y33-E72 HydrophobicContact CD1-CB 3.82Å; Y33-E72 HydrophobicContact CD1-CG 3.77Å; Y33-E72 HydrophobicContact CE1-CB 3.67Å; Y33-E72 HydrophobicContact CE1-CG 3.73Å; Y33-I74 HydrophobicContact CD2-CD1 4.16Å; Y33-I74 HydrophobicContact CE1-CD1 4.39Å; Y33-I74 HydrophobicContact CE2-CD1 3.53Å
34K84.5Confident95.4Very high106 Ų10647.4 Ų47.446%0.46125%0.254SS..THydrogen-bonded Turntrans-65.7148.1174.4-73.5175.4176.41550110E14 S31E14-K34 IonicContact OE2-NZ 3.73Å; E14-K34 PolarHBondContact OE2-NZ 3.22Å; S31-K34 WeakPolarHBondContact O-CB 3.32Å; S31-K34 PolarHBondContact O-N 2.84Å; S31-K34 VanDerWaalsContact O-N 3.15Å
35G81.3Confident95.4Very high81 Ų8141.9 Ų41.984%0.83523%0.229SC*.THydrogen-bonded Turntrans106.629.7-179.200000114G135G35-G135 PolarHBondContact N-O 2.88Å
36G84.9Confident95.4Very high37 Ų3740.4 Ų40.438%0.38123%0.225SC..THydrogen-bonded Turntrans117.4-12.1167.600000115.7N70 G135G36-N70 PolarHBondContact O-ND2 3.25Å; G36-G135 PolarHBondContact N-O 3.15Å; G36-G135 VanDerWaalsContact N-O 3.14Å
37K95Very high95.4Very high78 Ų7837 Ų3734%0.33921%0.21SC..  trans-83.8130.6176.1-69.5-172.3171.6-165.70111.3N70 E72 G135K37-N70 WeakPolarHBondContact CA-O 3.47Å; K37-N70 WeakPolarHBondContact CG-OD1 3.49Å; K37-E72 HydrophobicContact CD-CG 4.01Å; K37-E72 IonicContact NZ-OE1 3.73Å; K37-E72 PolarHBondContact NZ-OE1 2.9Å; K37-G135 WeakPolarHBondContact O-CA 3.41Å
38Y98.6Very high95.3Very high10 Ų1036.7 Ų36.74%0.03921%0.208CC..EExtended strand (participates in β ladder)trans-70.1152.2163.5-92.1-112.2000110.1N70 C71 E72 V132 I133 D134 V160 F163 Q164 D167Y38-N70 PolarHBondContact N-O 3.37Å; Y38-C71 CarbonylContact O-C 3.53Å; Y38-C71 VanDerWaalsContact O-CA 3.25Å; Y38-C71 WeakPolarHBondContact O-CA 3.49Å; Y38-E72 PolarHBondContact O-N 3.37Å; Y38-V132 HydrophobicContact CD1-CG1 3.97Å; Y38-V132 HydrophobicContact CE1-CG1 4.25Å; Y38-I133 CarbonylContact C-O 3.57Å; Y38-I133 WeakPolarHBondContact CA-O 3.07Å; Y38-I133 WeakPolarHBondContact CD1-O 3.19Å; Y38-D134 HydrophobicContact CD1-CB 4.4Å; Y38-D134 HydrophobicContact CD2-CB 4.42Å; Y38-D134 HydrophobicContact CE1-CB 3.79Å; Y38-D134 HydrophobicContact CE2-CB 3.8Å; Y38-D134 VanDerWaalsContact CZ-CB 3.45Å; Y38-V160 HydrophobicContact CD1-CG1 4.11Å; Y38-V160 HydrophobicContact CG-CG1 4.34Å; Y38-F163 HydrophobicContact CE1-CB 3.85Å; Y38-F163 WeakPolarHBondContact OH-CB 3.29Å; Y38-Q164 HydrophobicContact CD2-CG 3.9Å; Y38-Q164 HydrophobicContact CE1-CG 4.38Å; Y38-Q164 HydrophobicContact CE2-CG 3.66Å; Y38-Q164 HydrophobicContact CG-CG 4.36Å; Y38-D167 PolarHBondContact OH-OD2 2.91Å
39V98.7Very high95.1Very high3 Ų338.1 Ų38.12%0.01822%0.217CC..EExtended strand (participates in β ladder)trans-133.7128.5176.7-170.30000109.7L30 Y33 V41 E72 I74 I133L30-V39 HydrophobicContact CD1-CB 4.45Å; L30-V39 HydrophobicContact CD1-CG1 4.28Å; L30-V39 HydrophobicContact CD1-CG2 4.43Å; Y33-V39 HydrophobicContact CD1-CG2 4.1Å; Y33-V39 HydrophobicContact CD2-CG2 4.48Å; Y33-V39 HydrophobicContact CG-CG2 3.74Å; V39-V41 HydrophobicContact CG1-CG2 3.83Å; V39-E72 WeakPolarHBondContact CA-O 3.24Å; V39-I74 HydrophobicContact CG1-CD1 3.68Å; V39-I74 HydrophobicContact CG1-CG1 4.06Å; V39-I133 HydrophobicContact CB-CB 4.37Å; V39-I133 PolarHBondContact N-O 2.83Å; V39-I133 PolarHBondContact O-N 3.19Å
40V98.9Very high94.6Very high0 Ų043.6 Ų43.60%024%0.241CC..EExtended strand (participates in β ladder)trans-98117.1164.2176.10000107.8F66 E72 V73 I74 L130 F131 V132 T156 V160V40-F66 HydrophobicContact CG2-CD1 4.4Å; V40-F66 HydrophobicContact CG2-CE1 4.23Å; V40-E72 PolarHBondContact N-O 3.23Å; V40-V73 HydrophobicContact CB-CG1 4.33Å; V40-V73 HydrophobicContact CB-CG2 4.26Å; V40-V73 HydrophobicContact CG1-CG1 4.35Å; V40-V73 CarbonylContact O-C 3.57Å; V40-V73 WeakPolarHBondContact O-CA 3.33Å; V40-I74 PolarHBondContact O-N 3.07Å; V40-L130 HydrophobicContact CG1-CD1 4Å; V40-L130 HydrophobicContact CG1-CD2 4.21Å; V40-L130 HydrophobicContact CG1-CG 3.95Å; V40-F131 WeakPolarHBondContact CA-O 3.28Å; V40-V132 HydrophobicContact CG2-CG2 4.44Å; V40-T156 HydrophobicContact CG1-CG2 3.87Å; V40-T156 HydrophobicContact CG2-CG2 3.82Å; V40-V160 HydrophobicContact CG2-CG2 3.84Å
41V98.8Very high94.2Very high1 Ų145.2 Ų45.21%0.00625%0.251CS..EExtended strand (participates in β ladder)trans-106.6121.4170.3-177.50000107.7F15 V39 F43 I74 L130 F131 I133F15-V41 HydrophobicContact CE1-CG2 4.18Å; F15-V41 HydrophobicContact CZ-CG2 4.38Å; V39-V41 HydrophobicContact CG1-CG2 3.83Å; V41-F43 HydrophobicContact CG1-CD2 4.48Å; V41-F43 HydrophobicContact CG1-CE2 3.83Å; V41-F43 HydrophobicContact CG1-CZ 4.15Å; V41-I74 WeakPolarHBondContact CA-O 3.46Å; V41-I74 HydrophobicContact CG2-CB 4.44Å; V41-I74 HydrophobicContact CG2-CD1 4.44Å; V41-L130 CarbonylContact O-C 3.31Å; V41-L130 WeakPolarHBondContact O-CA 3.25Å; V41-F131 PolarHBondContact N-O 3.48Å; V41-F131 PolarHBondContact O-N 3.28Å; V41-I133 HydrophobicContact CG2-CD1 3.95Å
42F98.9Very high93.8Very high0 Ų043 Ų430%024%0.235CC..EExtended strand (participates in β ladder)trans-124.2129.6177.178.1-87.6000111.2Y44 I56 F59 V73 I74 G75 C76 I102 G129 L130F42-Y44 HydrophobicContact CE2-CD1 4.17Å; F42-I56 HydrophobicContact CE2-CG1 3.9Å; F42-I56 HydrophobicContact CZ-CG1 4.08Å; F42-F59 HydrophobicContact CD1-CD2 4.1Å; F42-F59 HydrophobicContact CD1-CE2 4.37Å; F42-F59 HydrophobicContact CD1-CG 4.43Å; F42-F59 HydrophobicContact CD2-CD2 4.49Å; F42-F59 HydrophobicContact CE1-CB 4.14Å; F42-F59 AromaticContact CE1-CD2 3.94Å; F42-F59 HydrophobicContact CE1-CD2 3.94Å; F42-F59 HydrophobicContact CE1-CG 4.11Å; F42-F59 HydrophobicContact CE2-CD2 4.35Å; F42-F59 HydrophobicContact CG-CD2 4.38Å; F42-F59 HydrophobicContact CG-CE2 4.35Å; F42-F59 HydrophobicContact CZ-CB 4.4Å; F42-F59 HydrophobicContact CZ-CD2 4.08Å; F42-V73 HydrophobicContact CD1-CG1 3.86Å; F42-V73 HydrophobicContact CE1-CG1 3.76Å; F42-I74 VanDerWaalsContact CD1-O 3.22Å; F42-I74 WeakPolarHBondContact CD1-O 3.31Å; F42-I74 PolarHBondContact N-O 2.75Å; F42-G75 CarbonylContact O-C 3.53Å; F42-G75 WeakPolarHBondContact O-CA 3.45Å; F42-C76 PolarHBondContact O-N 2.87Å; F42-I102 HydrophobicContact CE1-CD1 3.84Å; F42-I102 HydrophobicContact CZ-CD1 3.93Å; F42-G129 CarbonylContact C-O 3.58Å; F42-G129 WeakPolarHBondContact CA-O 3.34Å; F42-L130 HydrophobicContact CB-CB 4.14Å; F42-L130 HydrophobicContact CB-CD1 4.04Å; F42-L130 HydrophobicContact CB-CG 4.08Å
43F98.9Very high93.8Very high0 Ų039 Ų390%021%0.214CC..EExtended strand (participates in β ladder)trans-91.1146.1176.1-63.3-97.9000110V41 C76 I112 Y116 V118 A126 G129 F131 R151V41-F43 HydrophobicContact CG1-CD2 4.48Å; V41-F43 HydrophobicContact CG1-CE2 3.83Å; V41-F43 HydrophobicContact CG1-CZ 4.15Å; F43-C76 CarbonylContact C-O 3.55Å; F43-C76 WeakPolarHBondContact CA-O 3.45Å; F43-C76 HydrophobicContact CD1-CB 3.93Å; F43-C76 HydrophobicContact CE1-CB 4.01Å; F43-I112 HydrophobicContact CE1-CB 4.39Å; F43-I112 HydrophobicContact CE1-CG2 3.8Å; F43-I112 HydrophobicContact CZ-CG2 3.76Å; F43-Y116 AromaticContact CE2-CD1 3.78Å; F43-Y116 HydrophobicContact CE2-CD1 3.78Å; F43-Y116 HydrophobicContact CE2-CD2 4.35Å; F43-Y116 HydrophobicContact CE2-CE1 4.45Å; F43-Y116 AromaticContact CE2-CG 3.71Å; F43-Y116 HydrophobicContact CE2-CG 3.71Å; F43-Y116 HydrophobicContact CZ-CD1 4.08Å; F43-Y116 AromaticContact CZ-CD2 3.81Å; F43-Y116 HydrophobicContact CZ-CD2 3.81Å; F43-Y116 HydrophobicContact CZ-CE2 4.46Å; F43-Y116 AromaticContact CZ-CG 3.59Å; F43-Y116 HydrophobicContact CZ-CG 3.59Å; F43-V118 HydrophobicContact CB-CG2 4.15Å; F43-V118 HydrophobicContact CD1-CG2 3.86Å; F43-V118 HydrophobicContact CD2-CG2 3.94Å; F43-V118 HydrophobicContact CE1-CG2 4.23Å; F43-V118 HydrophobicContact CE2-CG2 4.31Å; F43-V118 HydrophobicContact CG-CG2 3.7Å; F43-V118 HydrophobicContact CZ-CG2 4.45Å; F43-A126 HydrophobicContact CB-CB 3.91Å; F43-A126 HydrophobicContact CD1-CB 4.37Å; F43-G129 PolarHBondContact N-O 2.86Å; F43-F131 AromaticContact CD2-CD2 3.93Å; F43-F131 HydrophobicContact CD2-CD2 3.93Å; F43-F131 AromaticContact CD2-CE2 3.67Å; F43-F131 HydrophobicContact CD2-CE2 3.67Å; F43-F131 AromaticContact CE2-CD2 3.7Å; F43-F131 HydrophobicContact CE2-CD2 3.7Å; F43-F131 AromaticContact CE2-CE2 3.59Å; F43-F131 HydrophobicContact CE2-CE2 3.59Å; F43-R151 VanDerWaalsContact O-CZ 3.26Å; F43-R151 PolarHBondContact O-NH1 3.24Å; F43-R151 PolarHBondContact O-NH2 3.45Å
44Y98.7Very high94Very high0 Ų041.2 Ų41.20%023%0.232CC..  trans-135.7153.8170.364.2-88.6000110.4F42 D47 C52 I56 C76 S77 H84 W87F42-Y44 HydrophobicContact CE2-CD1 4.17Å; Y44-D47 WeakPolarHBondContact CE2-OD1 3.5Å; Y44-D47 VanDerWaalsContact CZ-OD1 3.32Å; Y44-D47 PolarHBondContact OH-OD1 3.28Å; Y44-C52 HydrophobicContact CD2-CB 3.93Å; Y44-C52 HydrophobicContact CG-CB 4.47Å; Y44-I56 HydrophobicContact CD1-CD1 3.88Å; Y44-I56 HydrophobicContact CD1-CG1 4.11Å; Y44-I56 HydrophobicContact CD2-CD1 4.02Å; Y44-I56 HydrophobicContact CE1-CD1 3.67Å; Y44-I56 HydrophobicContact CE1-CG1 4.17Å; Y44-I56 HydrophobicContact CE2-CD1 3.81Å; Y44-I56 HydrophobicContact CG-CD1 4.04Å; Y44-I56 HydrophobicContact CG-CG1 4.49Å; Y44-C76 WeakPolarHBondContact CD1-O 3.3Å; Y44-C76 PolarHBondContact N-O 3.23Å; Y44-S77 WeakPolarHBondContact O-CB 3.35Å; Y44-H84 PolarHBondContact OH-CE1 2.96Å; Y44-H84 PolarHBondContact OH-ND1 2.75Å; Y44-W87 AromaticContact CE2-CZ3 3.9Å; Y44-W87 HydrophobicContact CE2-CZ3 3.9Å
45P97.4Very high94.5Very high8 Ų836.6 Ų36.65%0.05221%0.212CC..SBendtrans-57.4-60.3-172.4-30.433.9000115.5C52 I125 A126 R128 L147P45-C52 VanDerWaalsContact CD-SG 3.59Å; P45-I125 HydrophobicContact CB-CD1 4.14Å; P45-A126 VanDerWaalsContact CA-O 3.28Å; P45-A126 WeakPolarHBondContact CA-O 3.29Å; P45-A126 WeakPolarHBondContact CG-O 3.11Å; P45-R128 HydrophobicContact CG-CG 4.47Å; P45-L147 HydrophobicContact CB-CD2 4.36Å; P45-L147 HydrophobicContact CG-CD2 3.63Å
46L98.1Very high95.4Very high59 Ų5932.7 Ų32.731%0.30917%0.172SC..  trans-156.5144.3-168.1-75.1173.6000111.1T49 C52 I78 D79 I125L46-T49 HydrophobicContact CB-CG2 3.69Å; L46-T49 HydrophobicContact CD1-CG2 4.46Å; L46-T49 PolarHBondContact O-OG1 2.67Å; L46-C52 PolarHBondContact O-SG 3.2Å; L46-I78 HydrophobicContact CD2-CD1 3.68Å; L46-I78 HydrophobicContact CD2-CG1 4.27Å; L46-D79 WeakPolarHBondContact CA-OD2 3.19Å; L46-I125 HydrophobicContact CD1-CG2 3.92Å; L46-I125 HydrophobicContact CD2-CG2 3.74Å; L46-I125 HydrophobicContact CG-CG2 3.64Å
47D98.4Very high96Very high10 Ų1032.4 Ų32.45%0.05316%0.162CC..THydrogen-bonded Turntrans-61.4157.4163.7-74.12.2000111.7Y44 T49 D79 T83 H84 W87Y44-D47 WeakPolarHBondContact CE2-OD1 3.5Å; Y44-D47 VanDerWaalsContact CZ-OD1 3.32Å; Y44-D47 PolarHBondContact OH-OD1 3.28Å; D47-T49 VanDerWaalsContact C-N 3.26Å; D47-T49 PolarHBondContact O-N 2.78Å; D47-D79 HydrophobicContact CB-CB 4.34Å; D47-D79 PolarHBondContact N-OD2 3.44Å; D47-T83 HydrophobicContact CB-CG2 3.75Å; D47-T83 WeakPolarHBondContact OD2-CG2 3.47Å; D47-H84 IonicContact OD1-CE1 3.58Å; D47-H84 IonicContact OD1-ND1 2.73Å; D47-H84 PolarHBondContact OD1-ND1 3.34Å; D47-H84 WeakPolarHBondContact OD2-CA 3.33Å; D47-H84 IonicContact OD2-CE1 3.73Å; D47-H84 IonicContact OD2-CG 3.78Å; D47-H84 PolarHBondContact OD2-N 3.01Å; D47-H84 IonicContact OD2-ND1 2.88Å; D47-H84 PolarHBondContact OD2-ND1 2.82Å; D47-W87 VanDerWaalsContact CA-CZ3 3.48Å; D47-W87 HydrophobicContact CB-CD2 4.1Å; D47-W87 HydrophobicContact CB-CE3 3.6Å; D47-W87 HydrophobicContact CB-CZ3 3.97Å; D47-W87 VanDerWaalsContact OD1-CE3 3.22Å; D47-W87 VanDerWaalsContact OD1-CZ3 3.31Å; D47-W87 WeakPolarHBondContact OD1-CZ3 3.32Å
48F97.3Very high96.2Very high108 Ų10830.4 Ų30.447%0.47416%0.16SC..THydrogen-bonded Turntrans56.632.2177.9-61.5-86.2000115.3T83 A86 W87F48-T83 HydrophobicContact CD2-CG2 4.08Å; F48-T83 HydrophobicContact CE2-CG2 3.83Å; F48-A86 HydrophobicContact CZ-CB 4.31Å; F48-W87 AromaticContact CD1-CD1 3.48Å; F48-W87 VanDerWaalsContact CD1-CD1 3.48Å; F48-W87 HydrophobicContact CD1-CG 4.19Å; F48-W87 AromaticContact CD1-NE1 3.84Å; F48-W87 HydrophobicContact CD2-CB 4.32Å; F48-W87 HydrophobicContact CD2-CG 4.16Å; F48-W87 HydrophobicContact CE1-CB 4.18Å; F48-W87 AromaticContact CE1-CD1 3.38Å; F48-W87 AromaticContact CE1-CG 3.99Å; F48-W87 HydrophobicContact CE1-CG 3.99Å; F48-W87 HydrophobicContact CE2-CB 3.66Å; F48-W87 AromaticContact CE2-CG 3.95Å; F48-W87 HydrophobicContact CE2-CG 3.95Å; F48-W87 AromaticContact CG-CD1 3.92Å; F48-W87 HydrophobicContact CG-CG 4.28Å; F48-W87 HydrophobicContact CZ-CB 3.58Å; F48-W87 AromaticContact CZ-CD1 3.72Å; F48-W87 AromaticContact CZ-CG 3.86Å; F48-W87 HydrophobicContact CZ-CG 3.86Å; F48-W87 VanDerWaalsContact N-CE2 3.27Å; F48-W87 VanDerWaalsContact N-CZ2 3.3Å
49T93.3Very high96.2Very high42 Ų4230 Ų3026%0.25816%0.158SC..SBendtrans-114.1-168.3174.361.70000112L46 D47 C52 P53L46-T49 HydrophobicContact CB-CG2 3.69Å; L46-T49 HydrophobicContact CD1-CG2 4.46Å; L46-T49 PolarHBondContact O-OG1 2.67Å; D47-T49 VanDerWaalsContact C-N 3.26Å; D47-T49 PolarHBondContact O-N 2.78Å; T49-C52 PolarHBondContact OG1-SG 3.38Å; T49-P53 WeakPolarHBondContact O-CD 3.25Å; T49-P53 WeakPolarHBondContact O-CG 3.43Å
50F87.2Confident96.2Very high189 Ų18929.9 Ų29.983%0.82916%0.158SC*.SBendtrans-91.3-56.4-162.8-49.1-71.7000115P53F50-P53 WeakPolarHBondContact O-CD 3.49Å; F50-P53 WeakPolarHBondContact O-CG 3.43Å
51V86.8Confident96.2Very high38 Ų3833.6 Ų33.623%0.2318%0.177CC..Hα-helixtrans-81.7-32-177.9175.60000111.4T54 E55 R128V51-T54 PolarHBondContact O-N 3.15Å; V51-T54 VanDerWaalsContact O-N 3.13Å; V51-T54 PolarHBondContact O-OG1 2.89Å; V51-E55 HydrophobicContact CG1-CG 4.25Å; V51-E55 PolarHBondContact O-N 3.12Å; V51-R128 VanDerWaalsContact CG1-CZ 3.49Å
52C87.9Confident96.1Very high0 Ų036.9 Ų36.90%019%0.19CC..Hα-helixtrans-53.2-48.4-178.4-55.90000114.4Y44 P45 L46 T49 T54 E55 I56 W87Y44-C52 HydrophobicContact CD2-CB 3.93Å; Y44-C52 HydrophobicContact CG-CB 4.47Å; P45-C52 VanDerWaalsContact CD-SG 3.59Å; L46-C52 PolarHBondContact O-SG 3.2Å; T49-C52 PolarHBondContact OG1-SG 3.38Å; C52-T54 VanDerWaalsContact C-N 3.26Å; C52-T54 PolarHBondContact O-N 2.9Å; C52-E55 PolarHBondContact O-N 3.23Å; C52-I56 WeakPolarHBondContact O-CD1 3.48Å; C52-I56 VanDerWaalsContact O-CG1 3.26Å; C52-I56 WeakPolarHBondContact O-CG1 3.34Å; C52-I56 PolarHBondContact O-N 3.1Å; C52-I56 VanDerWaalsContact O-N 3.09Å; C52-W87 HydrophobicContact CB-CH2 3.84Å
53P93.1Very high96.1Very high11 Ų1137 Ų377%0.07119%0.19CC..Hα-helixtrans-64.4-32.4-179.923.9-32.2000112.1T49 F50 E55 I57 W87 L97T49-P53 WeakPolarHBondContact O-CD 3.25Å; T49-P53 WeakPolarHBondContact O-CG 3.43Å; F50-P53 WeakPolarHBondContact O-CD 3.49Å; F50-P53 WeakPolarHBondContact O-CG 3.43Å; P53-E55 PolarHBondContact O-N 2.95Å; P53-I57 HydrophobicContact CB-CD1 4.36Å; P53-I57 WeakPolarHBondContact O-CB 3.31Å; P53-I57 VanDerWaalsContact O-CD1 3.29Å; P53-I57 WeakPolarHBondContact O-CD1 3.35Å; P53-I57 WeakPolarHBondContact O-CG1 3.48Å; P53-I57 PolarHBondContact O-N 2.98Å; P53-W87 HydrophobicContact CB-CH2 4.1Å; P53-W87 HydrophobicContact CB-CZ2 3.61Å; P53-W87 HydrophobicContact CG-CH2 4.41Å; P53-W87 HydrophobicContact CG-CZ2 3.86Å; P53-L97 HydrophobicContact CB-CD2 3.86Å
54T96.3Very high96.1Very high85 Ų8541.1 Ų41.152%0.52121%0.21SC..Hα-helixtrans-66.6-40.6-179.6760000111.4V51 C52 A58V51-T54 PolarHBondContact O-N 3.15Å; V51-T54 VanDerWaalsContact O-N 3.13Å; V51-T54 PolarHBondContact O-OG1 2.89Å; C52-T54 VanDerWaalsContact C-N 3.26Å; C52-T54 PolarHBondContact O-N 2.9Å; T54-A58 VanDerWaalsContact O-CB 3.24Å; T54-A58 WeakPolarHBondContact O-CB 3.44Å; T54-A58 PolarHBondContact O-N 2.95Å
55E97.1Very high96.1Very high8 Ų843.2 Ų43.24%0.03722%0.221CC..Hα-helixtrans-68.1-48.5176.6-62.5-173.5113.700111.8V51 C52 P53 I57 A58 F59 R128 G150 R151V51-E55 HydrophobicContact CG1-CG 4.25Å; V51-E55 PolarHBondContact O-N 3.12Å; C52-E55 PolarHBondContact O-N 3.23Å; P53-E55 PolarHBondContact O-N 2.95Å; E55-I57 VanDerWaalsContact C-N 3.35Å; E55-I57 PolarHBondContact O-N 3.33Å; E55-A58 PolarHBondContact O-N 3.04Å; E55-F59 WeakPolarHBondContact O-CD2 3.46Å; E55-F59 PolarHBondContact O-N 2.96Å; E55-R128 IonicContact OE2-CZ 2.88Å; E55-R128 IonicContact OE2-NE 2.92Å; E55-R128 IonicContact OE2-NH1 3.65Å; E55-R128 PolarHBondContact OE2-NH1 3.21Å; E55-G150 WeakPolarHBondContact OE1-CA 3.48Å; E55-R151 VanDerWaalsContact CD-NH2 3.29Å; E55-R151 WeakPolarHBondContact OE1-CB 3.49Å; E55-R151 IonicContact OE1-CZ 2.63Å; E55-R151 PolarHBondContact OE1-N 2.98Å; E55-R151 IonicContact OE1-NE 3.59Å; E55-R151 PolarHBondContact OE1-NE 3.4Å; E55-R151 IonicContact OE1-NH2 2.74Å; E55-R151 PolarHBondContact OE1-NH2 3.4Å; E55-R151 IonicContact OE2-CZ 2.71Å; E55-R151 IonicContact OE2-NE 2.75Å; E55-R151 IonicContact OE2-NH2 2.89Å; E55-R151 PolarHBondContact OE2-NH2 3Å
56I98.3Very high96.2Very high0 Ų042.9 Ų42.90%022%0.219CC..Hα-helixtrans-61.8-45.3-178.2-63.6162.4000110.4F42 Y44 C52 F59 S60 W87 L97 M100 I102 L104F42-I56 HydrophobicContact CE2-CG1 3.9Å; F42-I56 HydrophobicContact CZ-CG1 4.08Å; Y44-I56 HydrophobicContact CD1-CD1 3.88Å; Y44-I56 HydrophobicContact CD1-CG1 4.11Å; Y44-I56 HydrophobicContact CD2-CD1 4.02Å; Y44-I56 HydrophobicContact CE1-CD1 3.67Å; Y44-I56 HydrophobicContact CE1-CG1 4.17Å; Y44-I56 HydrophobicContact CE2-CD1 3.81Å; Y44-I56 HydrophobicContact CG-CD1 4.04Å; Y44-I56 HydrophobicContact CG-CG1 4.49Å; C52-I56 WeakPolarHBondContact O-CD1 3.48Å; C52-I56 VanDerWaalsContact O-CG1 3.26Å; C52-I56 WeakPolarHBondContact O-CG1 3.34Å; C52-I56 PolarHBondContact O-N 3.1Å; C52-I56 VanDerWaalsContact O-N 3.09Å; I56-F59 PolarHBondContact O-N 3.18Å; I56-S60 VanDerWaalsContact O-CB 3.28Å; I56-S60 WeakPolarHBondContact O-CB 3.49Å; I56-S60 PolarHBondContact O-N 2.81Å; I56-W87 HydrophobicContact CD1-CE3 4.49Å; I56-W87 HydrophobicContact CD1-CH2 3.87Å; I56-W87 HydrophobicContact CD1-CZ3 3.49Å; I56-W87 VanDerWaalsContact CD1-CZ3 3.49Å; I56-L97 HydrophobicContact CB-CD2 4.01Å; I56-L97 HydrophobicContact CD1-CD1 4.44Å; I56-L97 HydrophobicContact CD1-CD2 4.12Å; I56-L97 HydrophobicContact CG2-CD1 4.01Å; I56-L97 HydrophobicContact CG2-CD2 3.92Å; I56-M100 HydrophobicContact CG2-SD 3.67Å; I56-I102 HydrophobicContact CG2-CD1 4.4Å; I56-L104 HydrophobicContact CG2-CD2 3.96Å
57I98.5Very high96.2Very high30 Ų3043.8 Ų43.815%0.15422%0.218CC..Hα-helixtrans-62.1-46.1176.6-72.1165.4000110.7P53 E55 F59 S60 D61 R92 L97 M100P53-I57 HydrophobicContact CB-CD1 4.36Å; P53-I57 WeakPolarHBondContact O-CB 3.31Å; P53-I57 VanDerWaalsContact O-CD1 3.29Å; P53-I57 WeakPolarHBondContact O-CD1 3.35Å; P53-I57 WeakPolarHBondContact O-CG1 3.48Å; P53-I57 PolarHBondContact O-N 2.98Å; E55-I57 VanDerWaalsContact C-N 3.35Å; E55-I57 PolarHBondContact O-N 3.33Å; I57-F59 PolarHBondContact O-N 3Å; I57-S60 PolarHBondContact O-N 2.93Å; I57-D61 WeakPolarHBondContact CG2-OD2 3.28Å; I57-D61 WeakPolarHBondContact O-CB 3.4Å; I57-D61 PolarHBondContact O-N 2.89Å; I57-R92 HydrophobicContact CD1-CG 3.88Å; I57-R92 VanDerWaalsContact CG2-CZ 3.46Å; I57-L97 HydrophobicContact CG1-CD2 4.36Å; I57-M100 HydrophobicContact CG1-CE 4.31Å
58A98.6Very high96.2Very high37 Ų3752.4 Ų52.431%0.30625%0.25SC..Hα-helixtrans-61.6-42.4-178.600000112.2T54 E55 R62 V153T54-A58 VanDerWaalsContact O-CB 3.24Å; T54-A58 WeakPolarHBondContact O-CB 3.44Å; T54-A58 PolarHBondContact O-N 2.95Å; E55-A58 PolarHBondContact O-N 3.04Å; A58-R62 WeakPolarHBondContact O-CB 3.49Å; A58-R62 VanDerWaalsContact O-CG 3.26Å; A58-R62 WeakPolarHBondContact O-CG 3.28Å; A58-R62 PolarHBondContact O-N 3.4Å; A58-V153 HydrophobicContact CB-CG2 3.68Å
59F98.8Very high96.2Very high2 Ų249 Ų491%0.00924%0.236CC..Hα-helixtrans-67.2-42.8173.5-83.2-68.3000112.4F42 E55 I56 I57 R62 A63 F66 V73 I102 L130 V153 T156F42-F59 HydrophobicContact CD1-CD2 4.1Å; F42-F59 HydrophobicContact CD1-CE2 4.37Å; F42-F59 HydrophobicContact CD1-CG 4.43Å; F42-F59 HydrophobicContact CD2-CD2 4.49Å; F42-F59 HydrophobicContact CE1-CB 4.14Å; F42-F59 AromaticContact CE1-CD2 3.94Å; F42-F59 HydrophobicContact CE1-CD2 3.94Å; F42-F59 HydrophobicContact CE1-CG 4.11Å; F42-F59 HydrophobicContact CE2-CD2 4.35Å; F42-F59 HydrophobicContact CG-CD2 4.38Å; F42-F59 HydrophobicContact CG-CE2 4.35Å; F42-F59 HydrophobicContact CZ-CB 4.4Å; F42-F59 HydrophobicContact CZ-CD2 4.08Å; E55-F59 WeakPolarHBondContact O-CD2 3.46Å; E55-F59 PolarHBondContact O-N 2.96Å; I56-F59 PolarHBondContact O-N 3.18Å; I57-F59 PolarHBondContact O-N 3Å; F59-R62 CarbonylContact O-C 3.44Å; F59-R62 PolarHBondContact O-N 2.78Å; F59-A63 WeakPolarHBondContact O-CA 3.41Å; F59-A63 PolarHBondContact O-N 3.23Å; F59-F66 AromaticContact CD1-CE2 3.98Å; F59-F66 HydrophobicContact CD1-CE2 3.98Å; F59-F66 HydrophobicContact CD1-CZ 4.1Å; F59-F66 HydrophobicContact CE1-CE2 4.23Å; F59-F66 AromaticContact CE1-CZ 3.87Å; F59-F66 HydrophobicContact CE1-CZ 3.87Å; F59-V73 HydrophobicContact CB-CG1 4.12Å; F59-V73 HydrophobicContact CD1-CG1 3.85Å; F59-V73 HydrophobicContact CG-CG1 4.1Å; F59-I102 HydrophobicContact CB-CD1 4.07Å; F59-L130 HydrophobicContact CE2-CD1 4.24Å; F59-L130 HydrophobicContact CZ-CD1 3.66Å; F59-V153 HydrophobicContact CD1-CG1 4.02Å; F59-V153 HydrophobicContact CD1-CG2 4.01Å; F59-V153 HydrophobicContact CD2-CG2 4.03Å; F59-V153 HydrophobicContact CE1-CB 4.31Å; F59-V153 HydrophobicContact CE1-CG1 4.06Å; F59-V153 HydrophobicContact CE1-CG2 4Å; F59-V153 HydrophobicContact CE2-CG2 4.01Å; F59-V153 HydrophobicContact CG-CG2 4.02Å; F59-V153 HydrophobicContact CZ-CG2 3.99Å; F59-T156 HydrophobicContact CE1-CG2 3.98Å; F59-T156 HydrophobicContact CZ-CG2 4.24Å
60S98.6Very high96.5Very high0 Ų050.8 Ų50.80%024%0.244CC..Hα-helixtrans-61.1-45.1177.91770000112I56 I57 R62 A63 K101I56-S60 VanDerWaalsContact O-CB 3.28Å; I56-S60 WeakPolarHBondContact O-CB 3.49Å; I56-S60 PolarHBondContact O-N 2.81Å; I57-S60 PolarHBondContact O-N 2.93Å; S60-R62 VanDerWaalsContact C-N 3.27Å; S60-R62 PolarHBondContact O-N 3.42Å; S60-A63 VanDerWaalsContact O-CB 3.3Å; S60-A63 WeakPolarHBondContact O-CB 3.43Å; S60-A63 PolarHBondContact O-N 3.45Å; S60-K101 PolarHBondContact OG-N 2.78Å
61D98.6Very high97Very high77 Ų7741.9 Ų41.941%0.41221%0.205SC..Hα-helixtrans-67.1-31.7-178.9-71.5-8.4000111.4I57 R92I57-D61 WeakPolarHBondContact CG2-OD2 3.28Å; I57-D61 WeakPolarHBondContact O-CB 3.4Å; I57-D61 PolarHBondContact O-N 2.89Å; D61-R92 IonicContact OD1-CZ 3.67Å; D61-R92 IonicContact OD1-NH1 3.68Å; D61-R92 PolarHBondContact OD1-NH1 3.41Å; D61-R92 IonicContact OD1-NH2 2.76Å; D61-R92 PolarHBondContact OD1-NH2 2.83Å; D61-R92 IonicContact OD2-CZ 3.71Å; D61-R92 IonicContact OD2-NH1 2.81Å; D61-R92 PolarHBondContact OD2-NH1 3.3Å; D61-R92 IonicContact OD2-NH2 3.3Å
62R98.6Very high97.6Very high70 Ų7041.5 Ų41.526%0.26420%0.201SC..THydrogen-bonded Turntrans-93.96.3177.3-61.7-71.5-58.5-79.8-1.3114.1A58 F59 S60 E64 D65 F66 V153 D154A58-R62 WeakPolarHBondContact O-CB 3.49Å; A58-R62 VanDerWaalsContact O-CG 3.26Å; A58-R62 WeakPolarHBondContact O-CG 3.28Å; A58-R62 PolarHBondContact O-N 3.4Å; F59-R62 CarbonylContact O-C 3.44Å; F59-R62 PolarHBondContact O-N 2.78Å; S60-R62 VanDerWaalsContact C-N 3.27Å; S60-R62 PolarHBondContact O-N 3.42Å; R62-E64 PolarHBondContact O-N 3.17Å; R62-E64 VanDerWaalsContact O-N 3.12Å; R62-D65 IonicContact CZ-OD2 3.36Å; R62-D65 VanDerWaalsContact CZ-OD2 3.22Å; R62-D65 IonicContact NE-OD2 2.69Å; R62-D65 PolarHBondContact NE-OD2 3.33Å; R62-D65 IonicContact NH2-OD2 2.9Å; R62-D65 PolarHBondContact NH2-OD2 2.89Å; R62-D65 WeakPolarHBondContact O-CB 3.48Å; R62-D65 PolarHBondContact O-N 3.48Å; R62-F66 HydrophobicContact CB-CE2 4.44Å; R62-F66 WeakPolarHBondContact O-CD2 3.21Å; R62-V153 HydrophobicContact CB-CG1 3.96Å; R62-V153 HydrophobicContact CG-CG1 4.04Å; R62-D154 IonicContact CZ-OD1 2.78Å; R62-D154 IonicContact NH1-OD1 3.68Å; R62-D154 PolarHBondContact NH1-OD1 2.9Å; R62-D154 IonicContact NH2-OD1 3.22Å
63A98.6Very high98.1Very high2 Ų241.7 Ų41.72%0.01720%0.202CC..Hα-helixtrans-56-35.4-174.200000113.3F59 S60 D65 F66 R67 K101 I102F59-A63 WeakPolarHBondContact O-CA 3.41Å; F59-A63 PolarHBondContact O-N 3.23Å; S60-A63 VanDerWaalsContact O-CB 3.3Å; S60-A63 WeakPolarHBondContact O-CB 3.43Å; S60-A63 PolarHBondContact O-N 3.45Å; A63-D65 VanDerWaalsContact C-N 3.3Å; A63-D65 PolarHBondContact O-N 2.82Å; A63-F66 PolarHBondContact O-N 2.91Å; A63-R67 WeakPolarHBondContact O-CG 3.36Å; A63-R67 PolarHBondContact O-N 2.66Å; A63-K101 HydrophobicContact CB-CB 4.05Å; A63-I102 HydrophobicContact CB-CG2 3.86Å
64E98.5Very high98.4Very high88 Ų8841.1 Ų41.141%0.41120%0.199SC..Hα-helixtrans-66.9-27.3178.1-66.2-52.2132.800113.8R62 R67 R68R62-E64 PolarHBondContact O-N 3.17Å; R62-E64 VanDerWaalsContact O-N 3.12Å; E64-R67 PolarHBondContact O-N 3.25Å; E64-R67 IonicContact OE1-CZ 4Å; E64-R67 IonicContact OE1-NH1 3.44Å; E64-R67 PolarHBondContact OE1-NH1 2.66Å; E64-R68 WeakPolarHBondContact O-CB 3.44Å; E64-R68 PolarHBondContact O-N 2.83Å
65D98.7Very high98.5Very high44 Ų4437.1 Ų37.124%0.23517%0.174CC..Hα-helixtrans-70.6-36.5176.1-70.9-13.3000111.1R62 A63 R68 L157R62-D65 IonicContact CZ-OD2 3.36Å; R62-D65 VanDerWaalsContact CZ-OD2 3.22Å; R62-D65 IonicContact NE-OD2 2.69Å; R62-D65 PolarHBondContact NE-OD2 3.33Å; R62-D65 IonicContact NH2-OD2 2.9Å; R62-D65 PolarHBondContact NH2-OD2 2.89Å; R62-D65 WeakPolarHBondContact O-CB 3.48Å; R62-D65 PolarHBondContact O-N 3.48Å; A63-D65 VanDerWaalsContact C-N 3.3Å; A63-D65 PolarHBondContact O-N 2.82Å; D65-R68 IonicContact OD1-CZ 3.96Å; D65-R68 IonicContact OD1-NH1 3.96Å; D65-R68 IonicContact OD1-NH2 3.46Å; D65-R68 PolarHBondContact OD1-NH2 2.89Å; D65-L157 HydrophobicContact CB-CD2 4.19Å
66F98.8Very high98.6Very high0 Ų036.8 Ų36.80%017%0.173CC..Hα-helixtrans-68.4-45.2172.3-69.3-87.3000111V40 F59 R62 A63 R68 I69 N70 C71 V73 V153 T156 L157 V160V40-F66 HydrophobicContact CG2-CD1 4.4Å; V40-F66 HydrophobicContact CG2-CE1 4.23Å; F59-F66 AromaticContact CD1-CE2 3.98Å; F59-F66 HydrophobicContact CD1-CE2 3.98Å; F59-F66 HydrophobicContact CD1-CZ 4.1Å; F59-F66 HydrophobicContact CE1-CE2 4.23Å; F59-F66 AromaticContact CE1-CZ 3.87Å; F59-F66 HydrophobicContact CE1-CZ 3.87Å; R62-F66 HydrophobicContact CB-CE2 4.44Å; R62-F66 WeakPolarHBondContact O-CD2 3.21Å; A63-F66 PolarHBondContact O-N 2.91Å; F66-R68 VanDerWaalsContact C-N 3.29Å; F66-R68 PolarHBondContact O-N 3.33Å; F66-I69 CarbonylContact O-C 3.48Å; F66-I69 WeakPolarHBondContact O-CG1 3.49Å; F66-I69 PolarHBondContact O-N 3.18Å; F66-I69 VanDerWaalsContact O-N 3.07Å; F66-N70 PolarHBondContact O-N 3.18Å; F66-C71 CarbonylContact C-O 3.52Å; F66-C71 HydrophobicContact CB-CB 4.08Å; F66-C71 WeakPolarHBondContact CB-O 3.35Å; F66-C71 HydrophobicContact CD1-CB 4.38Å; F66-C71 WeakPolarHBondContact O-CA 3.33Å; F66-C71 WeakPolarHBondContact O-CB 3.42Å; F66-C71 PolarHBondContact O-N 3.27Å; F66-C71 VanDerWaalsContact O-O 3.13Å; F66-V73 HydrophobicContact CB-CG2 3.84Å; F66-V73 HydrophobicContact CD1-CG2 3.9Å; F66-V73 HydrophobicContact CD2-CG2 3.7Å; F66-V73 HydrophobicContact CE1-CG2 4.4Å; F66-V73 HydrophobicContact CE2-CG2 4.23Å; F66-V73 HydrophobicContact CG-CG2 3.52Å; F66-V153 HydrophobicContact CE2-CG1 3.78Å; F66-V153 HydrophobicContact CZ-CG1 4.02Å; F66-T156 HydrophobicContact CE1-CG2 4.01Å; F66-T156 HydrophobicContact CZ-CG2 4.2Å; F66-L157 HydrophobicContact CD1-CD1 3.9Å; F66-L157 HydrophobicContact CE1-CB 4.08Å; F66-L157 HydrophobicContact CE1-CD1 3.9Å; F66-L157 HydrophobicContact CG-CD1 4.22Å; F66-L157 HydrophobicContact CZ-CB 3.95Å; F66-L157 HydrophobicContact CZ-CD1 4.22Å; F66-V160 HydrophobicContact CE1-CG2 4.39Å
67R98.4Very high98.6Very high79 Ų7936.8 Ų36.830%0.29817%0.173SC..Hα-helixtrans-61.2-36.8179-73174.6-179.2138.16112.9A63 E64 I69 N70 C71 E72 K101A63-R67 WeakPolarHBondContact O-CG 3.36Å; A63-R67 PolarHBondContact O-N 2.66Å; E64-R67 PolarHBondContact O-N 3.25Å; E64-R67 IonicContact OE1-CZ 4Å; E64-R67 IonicContact OE1-NH1 3.44Å; E64-R67 PolarHBondContact OE1-NH1 2.66Å; R67-I69 PolarHBondContact O-N 3.41Å; R67-N70 PolarHBondContact O-N 2.75Å; R67-C71 WeakPolarHBondContact CA-O 3.13Å; R67-C71 PolarHBondContact N-O 3.45Å; R67-C71 VanDerWaalsContact N-O 3.15Å; R67-E72 IonicContact CZ-OE2 2.77Å; R67-E72 IonicContact NE-OE2 3.49Å; R67-E72 PolarHBondContact NE-OE2 3.4Å; R67-E72 IonicContact NH2-OE2 3.26Å; R67-K101 PolarHBondContact NH2-O 2.95Å
68R98.5Very high98.6Very high190 Ų19036.2 Ų36.272%0.71717%0.169SC*.Hα-helixtrans-60.5-28.5177.1-167.4177.9-54.2145.618.8112.9E64 D65 F66E64-R68 WeakPolarHBondContact O-CB 3.44Å; E64-R68 PolarHBondContact O-N 2.83Å; D65-R68 IonicContact OD1-CZ 3.96Å; D65-R68 IonicContact OD1-NH1 3.96Å; D65-R68 IonicContact OD1-NH2 3.46Å; D65-R68 PolarHBondContact OD1-NH2 2.89Å; F66-R68 VanDerWaalsContact C-N 3.29Å; F66-R68 PolarHBondContact O-N 3.33Å
69I98.1Very high98.6Very high36 Ų3635.5 Ų35.519%0.18516%0.16CC..THydrogen-bonded Turntrans-100.423.7174.266.4171.1000112F66 R67 C71 L157 V160 Q161 Q164F66-I69 CarbonylContact O-C 3.48Å; F66-I69 WeakPolarHBondContact O-CG1 3.49Å; F66-I69 PolarHBondContact O-N 3.18Å; F66-I69 VanDerWaalsContact O-N 3.07Å; R67-I69 PolarHBondContact O-N 3.41Å; I69-C71 VanDerWaalsContact C-N 3.32Å; I69-C71 HydrophobicContact CG1-CB 4.17Å; I69-C71 PolarHBondContact O-N 2.8Å; I69-L157 HydrophobicContact CD1-CD1 3.58Å; I69-L157 HydrophobicContact CG1-CD1 4.43Å; I69-V160 HydrophobicContact CD1-CB 4.1Å; I69-V160 HydrophobicContact CD1-CG1 3.56Å; I69-V160 HydrophobicContact CG1-CG1 4.36Å; I69-Q161 HydrophobicContact CD1-CG 3.68Å; I69-Q164 PolarHBondContact O-NE2 3.37Å; I69-Q164 PolarHBondContact O-OE1 3.14Å
70N98.3Very high98.6Very high81 Ų8136.5 Ų36.543%0.43317%0.168SC..THydrogen-bonded Turntrans57.141.1179.9-159.744.1000113.8G36 K37 Y38 F66 R67G36-N70 PolarHBondContact O-ND2 3.25Å; K37-N70 WeakPolarHBondContact CA-O 3.47Å; K37-N70 WeakPolarHBondContact CG-OD1 3.49Å; Y38-N70 PolarHBondContact N-O 3.37Å; F66-N70 PolarHBondContact O-N 3.18Å; R67-N70 PolarHBondContact O-N 2.75Å
71C98.7Very high98.6Very high1 Ų138.5 Ų38.51%0.00718%0.177CC..EExtended strand (participates in β ladder)trans-122.4136.1175.7-174.50000110.7Y38 F66 R67 I69 V160Y38-C71 CarbonylContact O-C 3.53Å; Y38-C71 VanDerWaalsContact O-CA 3.25Å; Y38-C71 WeakPolarHBondContact O-CA 3.49Å; F66-C71 CarbonylContact C-O 3.52Å; F66-C71 HydrophobicContact CB-CB 4.08Å; F66-C71 WeakPolarHBondContact CB-O 3.35Å; F66-C71 HydrophobicContact CD1-CB 4.38Å; F66-C71 WeakPolarHBondContact O-CA 3.33Å; F66-C71 WeakPolarHBondContact O-CB 3.42Å; F66-C71 PolarHBondContact O-N 3.27Å; F66-C71 VanDerWaalsContact O-O 3.13Å; R67-C71 WeakPolarHBondContact CA-O 3.13Å; R67-C71 PolarHBondContact N-O 3.45Å; R67-C71 VanDerWaalsContact N-O 3.15Å; I69-C71 VanDerWaalsContact C-N 3.32Å; I69-C71 HydrophobicContact CG1-CB 4.17Å; I69-C71 PolarHBondContact O-N 2.8Å; C71-V160 HydrophobicContact CB-CG1 3.95Å
72E98.5Very high98.6Very high31 Ų3141 Ų4115%0.14518%0.184CC..EExtended strand (participates in β ladder)trans-104.5157.6170.4-61.4-71.9175.800110.2Y33 K37 Y38 V39 V40 R67Y33-E72 HydrophobicContact CD1-CB 3.82Å; Y33-E72 HydrophobicContact CD1-CG 3.77Å; Y33-E72 HydrophobicContact CE1-CB 3.67Å; Y33-E72 HydrophobicContact CE1-CG 3.73Å; K37-E72 HydrophobicContact CD-CG 4.01Å; K37-E72 IonicContact NZ-OE1 3.73Å; K37-E72 PolarHBondContact NZ-OE1 2.9Å; Y38-E72 PolarHBondContact O-N 3.37Å; V39-E72 WeakPolarHBondContact CA-O 3.24Å; V40-E72 PolarHBondContact N-O 3.23Å; R67-E72 IonicContact CZ-OE2 2.77Å; R67-E72 IonicContact NE-OE2 3.49Å; R67-E72 PolarHBondContact NE-OE2 3.4Å; R67-E72 IonicContact NH2-OE2 3.26Å
73V98.7Very high98.6Very high3 Ų339.7 Ų39.72%0.01818%0.184CC..EExtended strand (participates in β ladder)trans-125.6134179.8-175.80000109V40 F42 F59 F66 I102 P103V40-V73 HydrophobicContact CB-CG1 4.33Å; V40-V73 HydrophobicContact CB-CG2 4.26Å; V40-V73 HydrophobicContact CG1-CG1 4.35Å; V40-V73 CarbonylContact O-C 3.57Å; V40-V73 WeakPolarHBondContact O-CA 3.33Å; F42-V73 HydrophobicContact CD1-CG1 3.86Å; F42-V73 HydrophobicContact CE1-CG1 3.76Å; F59-V73 HydrophobicContact CB-CG1 4.12Å; F59-V73 HydrophobicContact CD1-CG1 3.85Å; F59-V73 HydrophobicContact CG-CG1 4.1Å; F66-V73 HydrophobicContact CB-CG2 3.84Å; F66-V73 HydrophobicContact CD1-CG2 3.9Å; F66-V73 HydrophobicContact CD2-CG2 3.7Å; F66-V73 HydrophobicContact CE1-CG2 4.4Å; F66-V73 HydrophobicContact CE2-CG2 4.23Å; F66-V73 HydrophobicContact CG-CG2 3.52Å; V73-I102 HydrophobicContact CB-CG2 4Å; V73-I102 HydrophobicContact CG1-CG2 4.44Å; V73-P103 WeakPolarHBondContact O-CD 3.37Å
74I98.8Very high98.6Very high0 Ų039.6 Ų39.60%018%0.183CC..EExtended strand (participates in β ladder)trans-129.3124.4-177.3-52.8178.7000108.9F15 I28 Y33 V39 V40 V41 F42 P103 V105F15-I74 HydrophobicContact CZ-CD1 4.28Å; I28-I74 HydrophobicContact CD1-CD1 4.38Å; I28-I74 HydrophobicContact CD1-CG2 4.22Å; Y33-I74 HydrophobicContact CD2-CD1 4.16Å; Y33-I74 HydrophobicContact CE1-CD1 4.39Å; Y33-I74 HydrophobicContact CE2-CD1 3.53Å; V39-I74 HydrophobicContact CG1-CD1 3.68Å; V39-I74 HydrophobicContact CG1-CG1 4.06Å; V40-I74 PolarHBondContact O-N 3.07Å; V41-I74 WeakPolarHBondContact CA-O 3.46Å; V41-I74 HydrophobicContact CG2-CB 4.44Å; V41-I74 HydrophobicContact CG2-CD1 4.44Å; F42-I74 VanDerWaalsContact CD1-O 3.22Å; F42-I74 WeakPolarHBondContact CD1-O 3.31Å; F42-I74 PolarHBondContact N-O 2.75Å; I74-P103 HydrophobicContact CB-CG 4.2Å; I74-P103 HydrophobicContact CG1-CG 3.85Å; I74-P103 HydrophobicContact CG2-CG 4.11Å; I74-V105 HydrophobicContact CG2-CG2 3.51Å
75G98.8Very high98.6Very high0 Ų037.2 Ų37.20%017%0.174CC..EExtended strand (participates in β ladder)trans-90.7145.8169.300000110.9F42 P103 L104 V105F42-G75 CarbonylContact O-C 3.53Å; F42-G75 WeakPolarHBondContact O-CA 3.45Å; G75-P103 PolarHBondContact N-O 2.9Å; G75-L104 CarbonylContact O-C 3.56Å; G75-L104 WeakPolarHBondContact O-CA 3.33Å; G75-V105 PolarHBondContact O-N 3.15Å
76C98.9Very high98.6Very high2 Ų237.4 Ų37.41%0.01418%0.181CC..EExtended strand (participates in β ladder)trans-143.7135.9177.5-176.10000111.6F42 F43 Y44 V105F42-C76 PolarHBondContact O-N 2.87Å; F43-C76 CarbonylContact C-O 3.55Å; F43-C76 WeakPolarHBondContact CA-O 3.45Å; F43-C76 HydrophobicContact CD1-CB 3.93Å; F43-C76 HydrophobicContact CE1-CB 4.01Å; Y44-C76 WeakPolarHBondContact CD1-O 3.3Å; Y44-C76 PolarHBondContact N-O 3.23Å; C76-V105 WeakPolarHBondContact CA-O 3.08Å; C76-V105 HydrophobicContact CB-CB 4.05Å
77S98.8Very high98.6Very high0 Ų037.4 Ų37.40%018%0.181CC..EExtended strand (participates in β ladder)trans-140178.7163.981.10000110.5Y44 D79 H84 V105 D107Y44-S77 WeakPolarHBondContact O-CB 3.35Å; S77-D79 PolarHBondContact O-N 2.91Å; S77-D79 WeakPolarHBondContact OG-CB 3.48Å; S77-D79 PolarHBondContact OG-N 3.23Å; S77-D79 VanDerWaalsContact OG-N 3.15Å; S77-D79 PolarHBondContact OG-OD2 3.49Å; S77-H84 PolarHBondContact OG-CE1 3.34Å; S77-V105 PolarHBondContact N-O 3.2Å; S77-D107 WeakPolarHBondContact O-CA 3.42Å; S77-D107 WeakPolarHBondContact O-CB 3.22Å; S77-D107 PolarHBondContact O-N 2.99Å
78I98.4Very high98.6Very high17 Ų1734.5 Ų34.59%0.08717%0.171CC..SBendtrans-78.5-1.9177.262.477.3000113.6L46 D107 K110 I125L46-I78 HydrophobicContact CD2-CD1 3.68Å; L46-I78 HydrophobicContact CD2-CG1 4.27Å; I78-D107 WeakPolarHBondContact CA-O 3.41Å; I78-K110 HydrophobicContact CB-CG 4.4Å; I78-K110 HydrophobicContact CG2-CB 4.45Å; I78-K110 HydrophobicContact CG2-CD 4.35Å; I78-K110 HydrophobicContact CG2-CG 3.98Å; I78-I125 HydrophobicContact CG1-CG2 4.43Å
79D98.8Very high98.6Very high22 Ų2231 Ų3112%0.11817%0.167CC..SBendtrans-74.8163.5-177.5-60-77.1000111.4L46 D47 S77 T83 A106L46-D79 WeakPolarHBondContact CA-OD2 3.19Å; D47-D79 HydrophobicContact CB-CB 4.34Å; D47-D79 PolarHBondContact N-OD2 3.44Å; S77-D79 PolarHBondContact O-N 2.91Å; S77-D79 WeakPolarHBondContact OG-CB 3.48Å; S77-D79 PolarHBondContact OG-N 3.23Å; S77-D79 VanDerWaalsContact OG-N 3.15Å; S77-D79 PolarHBondContact OG-OD2 3.49Å; D79-T83 HydrophobicContact CB-CG2 4.23Å; D79-A106 WeakPolarHBondContact O-CA 3.5Å; D79-A106 WeakPolarHBondContact O-CB 3.44Å
80S98.6Very high98.6Very high23 Ų2330.8 Ų30.816%0.16117%0.167CC..  trans-78.2155.5177.680.10000111.6F82 T83 H84S80-F82 PolarHBondContact O-N 3.12Å; S80-F82 PolarHBondContact OG-N 3.31Å; S80-T83 WeakPolarHBondContact O-CA 3.42Å; S80-T83 WeakPolarHBondContact O-CB 3.31Å; S80-T83 PolarHBondContact O-N 3.15Å; S80-T83 PolarHBondContact OG-N 3.15Å; S80-T83 VanDerWaalsContact OG-N 3.1Å; S80-T83 PolarHBondContact OG-OG1 2.84Å; S80-H84 PolarHBondContact O-N 2.85Å
81H98.6Very high98.6Very high42 Ų4229.5 Ų29.519%0.19416%0.163CC..Hα-helixtrans-61.4-24.5172.754.3-84.7000112.7T18 V20 F25 L85 A106T18-H81 HydrophobicContact CG2-CB 3.9Å; V20-H81 HydrophobicContact CG2-CB 4.18Å; V20-H81 VanDerWaalsContact CG2-O 3.28Å; V20-H81 WeakPolarHBondContact CG2-O 3.3Å; F25-H81 HydrophobicContact CD1-CB 4.12Å; F25-H81 AromaticContact CD1-CD2 3.71Å; F25-H81 AromaticContact CD2-CD2 3.88Å; F25-H81 HydrophobicContact CE1-CB 4.2Å; F25-H81 AromaticContact CE1-CD2 3.69Å; F25-H81 WeakPolarHBondContact CE1-O 3.43Å; F25-H81 AromaticContact CE2-CD2 3.86Å; F25-H81 AromaticContact CG-CD2 3.81Å; F25-H81 AromaticContact CZ-CD2 3.77Å; H81-L85 WeakPolarHBondContact O-CB 3.39Å; H81-L85 PolarHBondContact O-N 3.22Å; H81-L85 VanDerWaalsContact O-N 3.07Å; H81-A106 HydrophobicContact CB-CB 4.06Å
82F98.7Very high98.5Very high130 Ų13034.2 Ų34.257%0.5718%0.181SC*.Hα-helixtrans-68.3-43.3170.8-58.7-71.6000111.8F25 S80 L85 A86F25-F82 HydrophobicContact CE2-CD1 4.01Å; F25-F82 AromaticContact CE2-CE1 3.73Å; F25-F82 HydrophobicContact CE2-CE1 3.73Å; F25-F82 AromaticContact CZ-CD1 3.77Å; F25-F82 HydrophobicContact CZ-CD1 3.77Å; F25-F82 AromaticContact CZ-CE1 4Å; F25-F82 HydrophobicContact CZ-CE1 4Å; S80-F82 PolarHBondContact O-N 3.12Å; S80-F82 PolarHBondContact OG-N 3.31Å; F82-L85 PolarHBondContact O-N 3.15Å; F82-A86 WeakPolarHBondContact O-CB 3.45Å; F82-A86 PolarHBondContact O-N 3.19Å
83T98.6Very high98.4Very high42 Ų4241.5 Ų41.526%0.25821%0.212SC..Hα-helixtrans-61.1-46.6175.6-48.60000110.3D47 F48 D79 S80 L85 A86 W87D47-T83 HydrophobicContact CB-CG2 3.75Å; D47-T83 WeakPolarHBondContact OD2-CG2 3.47Å; F48-T83 HydrophobicContact CD2-CG2 4.08Å; F48-T83 HydrophobicContact CE2-CG2 3.83Å; D79-T83 HydrophobicContact CB-CG2 4.23Å; S80-T83 WeakPolarHBondContact O-CA 3.42Å; S80-T83 WeakPolarHBondContact O-CB 3.31Å; S80-T83 PolarHBondContact O-N 3.15Å; S80-T83 PolarHBondContact OG-N 3.15Å; S80-T83 VanDerWaalsContact OG-N 3.1Å; S80-T83 PolarHBondContact OG-OG1 2.84Å; T83-L85 PolarHBondContact O-N 3.39Å; T83-A86 PolarHBondContact O-N 3Å; T83-W87 WeakPolarHBondContact O-CB 3.28Å; T83-W87 PolarHBondContact O-N 3.26Å
84H98.7Very high98.3Very high0 Ų047.4 Ų47.40%024%0.24CC..Hα-helixtrans-56.5-48175.7-64.9-20.7000112.1V20 Y44 D47 S77 S80 A86 W87 I88 L104 V105V20-H84 HydrophobicContact CB-CB 4.47Å; V20-H84 HydrophobicContact CG2-CB 3.63Å; Y44-H84 PolarHBondContact OH-CE1 2.96Å; Y44-H84 PolarHBondContact OH-ND1 2.75Å; D47-H84 IonicContact OD1-CE1 3.58Å; D47-H84 IonicContact OD1-ND1 2.73Å; D47-H84 PolarHBondContact OD1-ND1 3.34Å; D47-H84 WeakPolarHBondContact OD2-CA 3.33Å; D47-H84 IonicContact OD2-CE1 3.73Å; D47-H84 IonicContact OD2-CG 3.78Å; D47-H84 PolarHBondContact OD2-N 3.01Å; D47-H84 IonicContact OD2-ND1 2.88Å; D47-H84 PolarHBondContact OD2-ND1 2.82Å; S77-H84 PolarHBondContact OG-CE1 3.34Å; S80-H84 PolarHBondContact O-N 2.85Å; H84-A86 PolarHBondContact O-N 2.92Å; H84-W87 PolarHBondContact O-N 3.2Å; H84-I88 WeakPolarHBondContact O-CB 3.44Å; H84-I88 VanDerWaalsContact O-CG1 3.3Å; H84-I88 WeakPolarHBondContact O-CG1 3.48Å; H84-I88 PolarHBondContact O-N 2.97Å; H84-L104 HydrophobicContact CB-CB 4.38Å; H84-L104 HydrophobicContact CB-CD1 4.44Å; H84-L104 PolarHBondContact CD2-O 3.1Å; H84-V105 PolarHBondContact NE2-O 2.87Å
85L98.6Very high98.1Very high39 Ų3949.3 Ų49.320%0.20426%0.259CS..Hα-helixtrans-65.2-39.9-179.8-178.561.7000111.8V20 F25 H81 F82 T83 W87 I88 N89V20-L85 HydrophobicContact CG1-CD1 4.1Å; V20-L85 HydrophobicContact CG2-CB 4.24Å; F25-L85 HydrophobicContact CE1-CB 3.97Å; F25-L85 HydrophobicContact CE1-CD2 3.75Å; F25-L85 HydrophobicContact CE1-CG 4.45Å; F25-L85 HydrophobicContact CZ-CB 4.38Å; F25-L85 HydrophobicContact CZ-CD2 3.63Å; H81-L85 WeakPolarHBondContact O-CB 3.39Å; H81-L85 PolarHBondContact O-N 3.22Å; H81-L85 VanDerWaalsContact O-N 3.07Å; F82-L85 PolarHBondContact O-N 3.15Å; T83-L85 PolarHBondContact O-N 3.39Å; L85-W87 VanDerWaalsContact C-N 3.29Å; L85-W87 PolarHBondContact O-N 2.8Å; L85-I88 PolarHBondContact O-N 3.45Å; L85-N89 WeakPolarHBondContact O-CB 3.36Å; L85-N89 PolarHBondContact O-N 2.73Å; L85-N89 PolarHBondContact O-ND2 2.8Å
86A98.6Very high98Very high48 Ų4849.4 Ų49.440%0.39726%0.26SS..Hα-helixtrans-60.7-40.6173.700000111.5F48 F82 T83 H84 N89 T90F48-A86 HydrophobicContact CZ-CB 4.31Å; F82-A86 WeakPolarHBondContact O-CB 3.45Å; F82-A86 PolarHBondContact O-N 3.19Å; T83-A86 PolarHBondContact O-N 3Å; H84-A86 PolarHBondContact O-N 2.92Å; A86-N89 PolarHBondContact O-N 3.3Å; A86-T90 PolarHBondContact O-N 3.09Å; A86-T90 VanDerWaalsContact O-N 3.12Å; A86-T90 PolarHBondContact O-OG1 2.8Å
87W98.5Very high98Very high0 Ų049.3 Ų49.30%026%0.259CS..Hα-helixtrans-72.2-36179.7-15926000113.1Y44 D47 F48 C52 P53 I56 T83 H84 L85 N89 T90 G95 L97Y44-W87 AromaticContact CE2-CZ3 3.9Å; Y44-W87 HydrophobicContact CE2-CZ3 3.9Å; D47-W87 VanDerWaalsContact CA-CZ3 3.48Å; D47-W87 HydrophobicContact CB-CD2 4.1Å; D47-W87 HydrophobicContact CB-CE3 3.6Å; D47-W87 HydrophobicContact CB-CZ3 3.97Å; D47-W87 VanDerWaalsContact OD1-CE3 3.22Å; D47-W87 VanDerWaalsContact OD1-CZ3 3.31Å; D47-W87 WeakPolarHBondContact OD1-CZ3 3.32Å; F48-W87 AromaticContact CD1-CD1 3.48Å; F48-W87 VanDerWaalsContact CD1-CD1 3.48Å; F48-W87 HydrophobicContact CD1-CG 4.19Å; F48-W87 AromaticContact CD1-NE1 3.84Å; F48-W87 HydrophobicContact CD2-CB 4.32Å; F48-W87 HydrophobicContact CD2-CG 4.16Å; F48-W87 HydrophobicContact CE1-CB 4.18Å; F48-W87 AromaticContact CE1-CD1 3.38Å; F48-W87 AromaticContact CE1-CG 3.99Å; F48-W87 HydrophobicContact CE1-CG 3.99Å; F48-W87 HydrophobicContact CE2-CB 3.66Å; F48-W87 AromaticContact CE2-CG 3.95Å; F48-W87 HydrophobicContact CE2-CG 3.95Å; F48-W87 AromaticContact CG-CD1 3.92Å; F48-W87 HydrophobicContact CG-CG 4.28Å; F48-W87 HydrophobicContact CZ-CB 3.58Å; F48-W87 AromaticContact CZ-CD1 3.72Å; F48-W87 AromaticContact CZ-CG 3.86Å; F48-W87 HydrophobicContact CZ-CG 3.86Å; F48-W87 VanDerWaalsContact N-CE2 3.27Å; F48-W87 VanDerWaalsContact N-CZ2 3.3Å; C52-W87 HydrophobicContact CB-CH2 3.84Å; P53-W87 HydrophobicContact CB-CH2 4.1Å; P53-W87 HydrophobicContact CB-CZ2 3.61Å; P53-W87 HydrophobicContact CG-CH2 4.41Å; P53-W87 HydrophobicContact CG-CZ2 3.86Å; I56-W87 HydrophobicContact CD1-CE3 4.49Å; I56-W87 HydrophobicContact CD1-CH2 3.87Å; I56-W87 HydrophobicContact CD1-CZ3 3.49Å; I56-W87 VanDerWaalsContact CD1-CZ3 3.49Å; T83-W87 WeakPolarHBondContact O-CB 3.28Å; T83-W87 PolarHBondContact O-N 3.26Å; H84-W87 PolarHBondContact O-N 3.2Å; L85-W87 VanDerWaalsContact C-N 3.29Å; L85-W87 PolarHBondContact O-N 2.8Å; W87-N89 VanDerWaalsContact C-N 3.31Å; W87-T90 WeakPolarHBondContact O-CB 3.38Å; W87-T90 PolarHBondContact O-N 3.08Å; W87-T90 VanDerWaalsContact O-N 3.17Å; W87-G95 PolarHBondContact NE1-O 2.8Å; W87-L97 HydrophobicContact CD2-CD1 3.87Å; W87-L97 HydrophobicContact CD2-CD2 4.07Å; W87-L97 HydrophobicContact CD2-CG 3.63Å; W87-L97 HydrophobicContact CE3-CD1 3.52Å; W87-L97 HydrophobicContact CE3-CD2 4.05Å; W87-L97 HydrophobicContact CE3-CG 3.77Å; W87-L97 HydrophobicContact CG-CD1 4.3Å; W87-L97 HydrophobicContact CG-CG 3.98Å; W87-L97 HydrophobicContact CH2-CD2 4.01Å; W87-L97 HydrophobicContact CZ2-CD2 4.03Å; W87-L97 HydrophobicContact CZ2-CG 4.49Å; W87-L97 HydrophobicContact CZ3-CD1 4.04Å; W87-L97 HydrophobicContact CZ3-CD2 4Å; W87-L97 HydrophobicContact CZ3-CG 4.23Å; W87-L97 PolarHBondContact O-N 2.84Å
88I98.5Very high97.9Very high17 Ų1750 Ų509%0.08727%0.267CS..Hα-helixtrans-59.1-42.9168.8-74167.3000111V20 H84 L85 T90 L97 G98 M100 L104V20-I88 HydrophobicContact CB-CD1 3.98Å; V20-I88 HydrophobicContact CG1-CD1 3.59Å; H84-I88 WeakPolarHBondContact O-CB 3.44Å; H84-I88 VanDerWaalsContact O-CG1 3.3Å; H84-I88 WeakPolarHBondContact O-CG1 3.48Å; H84-I88 PolarHBondContact O-N 2.97Å; L85-I88 PolarHBondContact O-N 3.45Å; I88-T90 PolarHBondContact O-N 2.81Å; I88-L97 HydrophobicContact CG1-CD1 4.17Å; I88-G98 CarbonylContact O-C 3.43Å; I88-G98 VanDerWaalsContact O-C 3.31Å; I88-G98 WeakPolarHBondContact O-CA 3.4Å; I88-G98 PolarHBondContact O-N 2.92Å; I88-M100 HydrophobicContact CD1-CB 4.4Å; I88-M100 HydrophobicContact CD1-CG 4.2Å; I88-M100 HydrophobicContact CG1-CB 4.43Å; I88-M100 HydrophobicContact CG1-CG 3.78Å; I88-L104 HydrophobicContact CD1-CD1 4.01Å; I88-L104 HydrophobicContact CG1-CD1 4.24Å
89N98.3Very high97.7Very high116 Ų11653.4 Ų53.462%0.6230%0.297SS*.THydrogen-bonded Turntrans-74.6-10.1178.8-69.1-25.2000113.3L85 A86 W87L85-N89 WeakPolarHBondContact O-CB 3.36Å; L85-N89 PolarHBondContact O-N 2.73Å; L85-N89 PolarHBondContact O-ND2 2.8Å; A86-N89 PolarHBondContact O-N 3.3Å; W87-N89 VanDerWaalsContact C-N 3.31Å
90T98.3Very high97.7Very high33 Ų3353.2 Ų53.220%0.20230%0.296CS..SBendtrans-82.9131.6175.7-56.50000109.7A86 W87 I88 E94 G96 L97 G98A86-T90 PolarHBondContact O-N 3.09Å; A86-T90 VanDerWaalsContact O-N 3.12Å; A86-T90 PolarHBondContact O-OG1 2.8Å; W87-T90 WeakPolarHBondContact O-CB 3.38Å; W87-T90 PolarHBondContact O-N 3.08Å; W87-T90 VanDerWaalsContact O-N 3.17Å; I88-T90 PolarHBondContact O-N 2.81Å; T90-E94 HydrophobicContact CG2-CB 4.22Å; T90-G96 CarbonylContact O-C 3.03Å; T90-G96 VanDerWaalsContact O-CA 3.32Å; T90-G96 WeakPolarHBondContact O-CA 3.1Å; T90-L97 PolarHBondContact O-N 2.74Å; T90-G98 PolarHBondContact O-N 2.85Å
91P97.8Very high97.6Very high54 Ų5456.9 Ų56.935%0.35131%0.309SS..  trans-61.2142.4177.5-24.935000113.4K93 E94 G96P91-K93 HydrophobicContact CB-CG 3.9Å; P91-K93 PolarHBondContact O-N 2.83Å; P91-E94 WeakPolarHBondContact O-CA 3.21Å; P91-E94 PolarHBondContact O-N 2.81Å; P91-G96 WeakPolarHBondContact O-CA 3.32Å; P91-G96 PolarHBondContact O-N 2.93Å
92R97.3Very high97.6Very high100 Ų10055.1 Ų55.138%0.37730%0.301SS..G310 helixtrans-55.2-37177.1-67.7-175.5-178.8-174.22.4113.7I57 D61 E94 G95 G96 L97I57-R92 HydrophobicContact CD1-CG 3.88Å; I57-R92 VanDerWaalsContact CG2-CZ 3.46Å; D61-R92 IonicContact OD1-CZ 3.67Å; D61-R92 IonicContact OD1-NH1 3.68Å; D61-R92 PolarHBondContact OD1-NH1 3.41Å; D61-R92 IonicContact OD1-NH2 2.76Å; D61-R92 PolarHBondContact OD1-NH2 2.83Å; D61-R92 IonicContact OD2-CZ 3.71Å; D61-R92 IonicContact OD2-NH1 2.81Å; D61-R92 PolarHBondContact OD2-NH1 3.3Å; D61-R92 IonicContact OD2-NH2 3.3Å; R92-E94 PolarHBondContact O-N 2.73Å; R92-G95 PolarHBondContact O-N 2.84Å; R92-G96 WeakPolarHBondContact CA-O 3.37Å; R92-L97 WeakPolarHBondContact CG-O 3.42Å; R92-L97 PolarHBondContact NE-O 3.07Å
93K96.3Very high97.6Very high183 Ų18349.4 Ų49.480%0.79628%0.277SS*.G310 helixtrans-63.2-17.6176.762.8171.3-172.1175.40114P91P91-K93 HydrophobicContact CB-CG 3.9Å; P91-K93 PolarHBondContact O-N 2.83Å
94E96.1Very high97.6Very high128 Ų12847.4 Ų47.460%0.59826%0.264SS*.G310 helixtrans-10612.7178.1-73.3159.9-138.500111.6T90 P91 R92T90-E94 HydrophobicContact CG2-CB 4.22Å; P91-E94 WeakPolarHBondContact O-CA 3.21Å; P91-E94 PolarHBondContact O-N 2.81Å; R92-E94 PolarHBondContact O-N 2.73Å
95G94.7Very high97.6Very high40 Ų4047.4 Ų47.441%0.41227%0.265SS..THydrogen-bonded Turntrans83.110.5-177.200000114.4W87 R92W87-G95 PolarHBondContact NE1-O 2.8Å; R92-G95 PolarHBondContact O-N 2.84Å
96G97.6Very high97.7Very high1 Ų146 Ų461%0.0126%0.259CS..  trans-80.5179.2172.300000114.1T90 P91 R92T90-G96 CarbonylContact O-C 3.03Å; T90-G96 VanDerWaalsContact O-CA 3.32Å; T90-G96 WeakPolarHBondContact O-CA 3.1Å; P91-G96 WeakPolarHBondContact O-CA 3.32Å; P91-G96 PolarHBondContact O-N 2.93Å; R92-G96 WeakPolarHBondContact CA-O 3.37Å
97L98.1Very high97.7Very high0 Ų043.9 Ų43.90%024%0.24CC..  trans-91.6-32.2177.8-59.3-179.9000112.5P53 I56 I57 W87 I88 T90 R92 M100 L104P53-L97 HydrophobicContact CB-CD2 3.86Å; I56-L97 HydrophobicContact CB-CD2 4.01Å; I56-L97 HydrophobicContact CD1-CD1 4.44Å; I56-L97 HydrophobicContact CD1-CD2 4.12Å; I56-L97 HydrophobicContact CG2-CD1 4.01Å; I56-L97 HydrophobicContact CG2-CD2 3.92Å; I57-L97 HydrophobicContact CG1-CD2 4.36Å; W87-L97 HydrophobicContact CD2-CD1 3.87Å; W87-L97 HydrophobicContact CD2-CD2 4.07Å; W87-L97 HydrophobicContact CD2-CG 3.63Å; W87-L97 HydrophobicContact CE3-CD1 3.52Å; W87-L97 HydrophobicContact CE3-CD2 4.05Å; W87-L97 HydrophobicContact CE3-CG 3.77Å; W87-L97 HydrophobicContact CG-CD1 4.3Å; W87-L97 HydrophobicContact CG-CG 3.98Å; W87-L97 HydrophobicContact CH2-CD2 4.01Å; W87-L97 HydrophobicContact CZ2-CD2 4.03Å; W87-L97 HydrophobicContact CZ2-CG 4.49Å; W87-L97 HydrophobicContact CZ3-CD1 4.04Å; W87-L97 HydrophobicContact CZ3-CD2 4Å; W87-L97 HydrophobicContact CZ3-CG 4.23Å; W87-L97 PolarHBondContact O-N 2.84Å; I88-L97 HydrophobicContact CG1-CD1 4.17Å; T90-L97 PolarHBondContact O-N 2.74Å; R92-L97 WeakPolarHBondContact CG-O 3.42Å; R92-L97 PolarHBondContact NE-O 3.07Å; L97-M100 HydrophobicContact CB-CE 3.94Å; L97-M100 HydrophobicContact CB-CG 4.11Å; L97-M100 HydrophobicContact CB-SD 3.93Å; L97-M100 HydrophobicContact CD1-CG 4.3Å; L97-M100 HydrophobicContact CD1-SD 4.32Å; L97-M100 WeakPolarHBondContact O-CE 3.4Å; L97-L104 HydrophobicContact CD1-CD1 3.54Å
98G97.1Very high97.6Very high15 Ų1549.3 Ų49.316%0.15527%0.269CS..  trans64.6-165.7-164.200000112.3I88 T90 M100I88-G98 CarbonylContact O-C 3.43Å; I88-G98 VanDerWaalsContact O-C 3.31Å; I88-G98 WeakPolarHBondContact O-CA 3.4Å; I88-G98 PolarHBondContact O-N 2.92Å; T90-G98 PolarHBondContact O-N 2.85Å; G98-M100 PolarHBondContact O-N 2.83Å
99A94.8Very high97.6Very high88 Ų8853.5 Ų53.573%0.72730%0.295SS*.SBendtrans-58.3125.4179.800000111.7
100M97.3Very high97.6Very high19 Ų1950.7 Ų50.79%0.09428%0.278CS..  trans-105.4139.3-178.4-69.8-65.693.100111.6I56 I57 I88 L97 G98I56-M100 HydrophobicContact CG2-SD 3.67Å; I57-M100 HydrophobicContact CG1-CE 4.31Å; I88-M100 HydrophobicContact CD1-CB 4.4Å; I88-M100 HydrophobicContact CD1-CG 4.2Å; I88-M100 HydrophobicContact CG1-CB 4.43Å; I88-M100 HydrophobicContact CG1-CG 3.78Å; L97-M100 HydrophobicContact CB-CE 3.94Å; L97-M100 HydrophobicContact CB-CG 4.11Å; L97-M100 HydrophobicContact CB-SD 3.93Å; L97-M100 HydrophobicContact CD1-CG 4.3Å; L97-M100 HydrophobicContact CD1-SD 4.32Å; L97-M100 WeakPolarHBondContact O-CE 3.4Å; G98-M100 PolarHBondContact O-N 2.83Å
101K98.2Very high97.6Very high99 Ų9951.4 Ų51.443%0.4328%0.284SS..SBendtrans-100.50.2176.1-59.9-178-171.51700112.8S60 A63 R67S60-K101 PolarHBondContact OG-N 2.78Å; A63-K101 HydrophobicContact CB-CB 4.05Å; R67-K101 PolarHBondContact NH2-O 2.95Å
102I98.6Very high97.6Very high6 Ų649.2 Ų49.23%0.03127%0.269CS..SBendtrans-122.2146.9-179.456.4173.1000109.5F42 I56 F59 A63 V73F42-I102 HydrophobicContact CE1-CD1 3.84Å; F42-I102 HydrophobicContact CZ-CD1 3.93Å; I56-I102 HydrophobicContact CG2-CD1 4.4Å; F59-I102 HydrophobicContact CB-CD1 4.07Å; A63-I102 HydrophobicContact CB-CG2 3.86Å; V73-I102 HydrophobicContact CB-CG2 4Å; V73-I102 HydrophobicContact CG1-CG2 4.44Å
103P98.4Very high97.7Very high9 Ų944.4 Ų44.46%0.05825%0.251CS..  trans-64.2139.6171.527-35.6000111.4A19 V20 V21 I28 V73 I74 G75A19-P103 HydrophobicContact CB-CB 4.35Å; V20-P103 WeakPolarHBondContact O-CA 3.48Å; V21-P103 HydrophobicContact CG2-CB 3.87Å; I28-P103 HydrophobicContact CD1-CB 4.11Å; I28-P103 HydrophobicContact CD1-CG 4.43Å; V73-P103 WeakPolarHBondContact O-CD 3.37Å; I74-P103 HydrophobicContact CB-CG 4.2Å; I74-P103 HydrophobicContact CG1-CG 3.85Å; I74-P103 HydrophobicContact CG2-CG 4.11Å; G75-P103 PolarHBondContact N-O 2.9Å
104L98.8Very high97.7Very high0 Ų040.4 Ų40.40%023%0.231CC..EExtended strand (participates in β ladder)trans-112111.4168.3-60.2-175.9000109.9A19 V20 I56 G75 H84 I88 L97A19-L104 CarbonylContact C-O 3.6Å; A19-L104 WeakPolarHBondContact CA-O 3.35Å; A19-L104 WeakPolarHBondContact CB-O 3.49Å; V20-L104 PolarHBondContact N-O 2.93Å; V20-L104 PolarHBondContact O-N 2.88Å; V20-L104 VanDerWaalsContact O-N 3.16Å; I56-L104 HydrophobicContact CG2-CD2 3.96Å; G75-L104 CarbonylContact O-C 3.56Å; G75-L104 WeakPolarHBondContact O-CA 3.33Å; H84-L104 HydrophobicContact CB-CB 4.38Å; H84-L104 HydrophobicContact CB-CD1 4.44Å; H84-L104 PolarHBondContact CD2-O 3.1Å; I88-L104 HydrophobicContact CD1-CD1 4.01Å; I88-L104 HydrophobicContact CG1-CD1 4.24Å; L97-L104 HydrophobicContact CD1-CD1 3.54Å
105V98.8Very high97.9Very high1 Ų136.8 Ų36.81%0.00622%0.216CC..EExtended strand (participates in β ladder)trans-87.6128.8-176.6174.10000111.2F15 A17 A19 I28 I74 G75 C76 S77 H84 I112F15-V105 HydrophobicContact CE2-CG2 4.44Å; A17-V105 HydrophobicContact CB-CG1 3.63Å; A19-V105 HydrophobicContact CB-CG2 3.99Å; I28-V105 HydrophobicContact CD1-CG2 3.43Å; I28-V105 VanDerWaalsContact CD1-CG2 3.43Å; I28-V105 HydrophobicContact CG1-CG2 4.01Å; I74-V105 HydrophobicContact CG2-CG2 3.51Å; G75-V105 PolarHBondContact O-N 3.15Å; C76-V105 WeakPolarHBondContact CA-O 3.08Å; C76-V105 HydrophobicContact CB-CB 4.05Å; S77-V105 PolarHBondContact N-O 3.2Å; H84-V105 PolarHBondContact NE2-O 2.87Å; V105-I112 HydrophobicContact CG1-CD1 3.87Å
106A98.8Very high98Very high10 Ų1035.1 Ų35.18%0.08320%0.197CC..EExtended strand (participates in β ladder)trans-90.5103.9175.200000111.6T18 D79 H81 L108T18-A106 WeakPolarHBondContact O-CB 2.76Å; T18-A106 PolarHBondContact O-N 2.8Å; D79-A106 WeakPolarHBondContact O-CA 3.5Å; D79-A106 WeakPolarHBondContact O-CB 3.44Å; H81-A106 HydrophobicContact CB-CB 4.06Å; A106-L108 VanDerWaalsContact C-N 3.34Å; A106-L108 PolarHBondContact O-N 3.16Å
107D98.8Very high98.1Very high2 Ų235.4 Ų35.41%0.01120%0.2CC..  trans-93.457.1175-178.230.7000111.6S77 I78 T109 K110 S111 I112 S113S77-D107 WeakPolarHBondContact O-CA 3.42Å; S77-D107 WeakPolarHBondContact O-CB 3.22Å; S77-D107 PolarHBondContact O-N 2.99Å; I78-D107 WeakPolarHBondContact CA-O 3.41Å; D107-T109 PolarHBondContact O-N 3.41Å; D107-T109 VanDerWaalsContact O-N 3.15Å; D107-K110 WeakPolarHBondContact O-CA 3.26Å; D107-K110 PolarHBondContact O-N 3.33Å; D107-K110 WeakPolarHBondContact OD1-CA 3.38Å; D107-K110 PolarHBondContact OD1-N 3.02Å; D107-K110 VanDerWaalsContact OD2-C 3.32Å; D107-K110 VanDerWaalsContact OD2-CA 3.25Å; D107-K110 WeakPolarHBondContact OD2-CA 3.39Å; D107-S111 PolarHBondContact OD1-N 3.41Å; D107-I112 HydrophobicContact CB-CB 4.16Å; D107-I112 HydrophobicContact CB-CD1 4.12Å; D107-I112 HydrophobicContact CB-CG1 4.26Å; D107-I112 WeakPolarHBondContact OD1-CG1 3.49Å; D107-I112 PolarHBondContact OD1-N 2.77Å; D107-I112 PolarHBondContact OD2-N 3.25Å; D107-S113 VanDerWaalsContact OD2-CB 3.24Å; D107-S113 WeakPolarHBondContact OD2-CB 3.41Å; D107-S113 PolarHBondContact OD2-N 3.03Å; D107-S113 PolarHBondContact OD2-OG 3.35Å
108L97.3Very high98.1Very high115 Ų11535.4 Ų35.460%0.60220%0.2SC*.THydrogen-bonded Turntrans-59.9-31.6-173.6-163.767.8000112.8A106 K110A106-L108 VanDerWaalsContact C-N 3.34Å; A106-L108 PolarHBondContact O-N 3.16Å; L108-K110 VanDerWaalsContact C-N 3.28Å
109T97.7Very high98.2Very high104 Ų10434.9 Ų34.964%0.63819%0.194SC*.THydrogen-bonded Turntrans-80.6-7.7177.563.30000113.3D107 S111D107-T109 PolarHBondContact O-N 3.41Å; D107-T109 VanDerWaalsContact O-N 3.15Å; T109-S111 PolarHBondContact O-N 3.17Å; T109-S111 VanDerWaalsContact O-N 3.15Å; T109-S111 WeakPolarHBondContact OG1-CB 3.42Å; T109-S111 PolarHBondContact OG1-OG 3.03Å
110K98.3Very high98.3Very high57 Ų5731.7 Ų31.725%0.24816%0.163CC..SBendtrans61.215.5-176-41.9-169.6-170-51.80113.5I78 D107 L108 R114 L119 G124I78-K110 HydrophobicContact CB-CG 4.4Å; I78-K110 HydrophobicContact CG2-CB 4.45Å; I78-K110 HydrophobicContact CG2-CD 4.35Å; I78-K110 HydrophobicContact CG2-CG 3.98Å; D107-K110 WeakPolarHBondContact O-CA 3.26Å; D107-K110 PolarHBondContact O-N 3.33Å; D107-K110 WeakPolarHBondContact OD1-CA 3.38Å; D107-K110 PolarHBondContact OD1-N 3.02Å; D107-K110 VanDerWaalsContact OD2-C 3.32Å; D107-K110 VanDerWaalsContact OD2-CA 3.25Å; D107-K110 WeakPolarHBondContact OD2-CA 3.39Å; L108-K110 VanDerWaalsContact C-N 3.28Å; K110-R114 VanDerWaalsContact O-CB 3.26Å; K110-R114 WeakPolarHBondContact O-CB 3.37Å; K110-R114 PolarHBondContact O-N 3.14Å; K110-R114 VanDerWaalsContact O-N 3.12Å; K110-R114 PolarHBondContact O-NH1 3.32Å; K110-L119 HydrophobicContact CB-CD1 4.13Å; K110-L119 HydrophobicContact CB-CD2 3.94Å; K110-L119 HydrophobicContact CD-CD1 4Å; K110-L119 HydrophobicContact CD-CD2 4.46Å; K110-G124 WeakPolarHBondContact CD-O 3.49Å; K110-G124 VanDerWaalsContact CE-O 3.3Å; K110-G124 WeakPolarHBondContact CE-O 3.33Å; K110-G124 PolarHBondContact NZ-O 3.24Å
111S98Very high98.2Very high49 Ų4935.7 Ų35.734%0.34318%0.182SC..Hα-helixtrans-71.8-43.4-176.156.90000110.4D107 T109 R114 D115D107-S111 PolarHBondContact OD1-N 3.41Å; T109-S111 PolarHBondContact O-N 3.17Å; T109-S111 VanDerWaalsContact O-N 3.15Å; T109-S111 WeakPolarHBondContact OG1-CB 3.42Å; T109-S111 PolarHBondContact OG1-OG 3.03Å; S111-R114 PolarHBondContact O-N 2.84Å; S111-D115 WeakPolarHBondContact O-CB 3.38Å; S111-D115 PolarHBondContact O-N 2.78Å
112I98.6Very high98.2Very high7 Ų737 Ų374%0.03619%0.194CC..Hα-helixtrans-65.7-47.7-179.7-49.4177.9000109.5F15 A17 F43 V105 D107 R114 D115 Y116F15-I112 HydrophobicContact CB-CD1 3.8Å; F15-I112 HydrophobicContact CB-CG1 3.82Å; F15-I112 HydrophobicContact CB-CG2 4.01Å; F15-I112 HydrophobicContact CD1-CG2 4.1Å; F15-I112 HydrophobicContact CD2-CD1 4.12Å; F15-I112 HydrophobicContact CG-CD1 4.09Å; F15-I112 HydrophobicContact CG-CG1 4.49Å; F15-I112 HydrophobicContact CG-CG2 4.11Å; A17-I112 HydrophobicContact CB-CD1 3.8Å; F43-I112 HydrophobicContact CE1-CB 4.39Å; F43-I112 HydrophobicContact CE1-CG2 3.8Å; F43-I112 HydrophobicContact CZ-CG2 3.76Å; V105-I112 HydrophobicContact CG1-CD1 3.87Å; D107-I112 HydrophobicContact CB-CB 4.16Å; D107-I112 HydrophobicContact CB-CD1 4.12Å; D107-I112 HydrophobicContact CB-CG1 4.26Å; D107-I112 WeakPolarHBondContact OD1-CG1 3.49Å; D107-I112 PolarHBondContact OD1-N 2.77Å; D107-I112 PolarHBondContact OD2-N 3.25Å; I112-R114 PolarHBondContact O-N 2.76Å; I112-D115 PolarHBondContact O-N 3.5Å; I112-Y116 HydrophobicContact CG2-CD2 3.9Å; I112-Y116 HydrophobicContact CG2-CE2 4.04Å; I112-Y116 WeakPolarHBondContact O-CB 3.33Å; I112-Y116 VanDerWaalsContact O-CD2 3.29Å; I112-Y116 WeakPolarHBondContact O-CD2 3.32Å; I112-Y116 PolarHBondContact O-N 3.31Å
113S98.7Very high98.1Very high0 Ų042 Ų420%022%0.217CC..Hα-helixtrans-60.1-35.8177.9-580000112D107 G117 V118 L119D107-S113 VanDerWaalsContact OD2-CB 3.24Å; D107-S113 WeakPolarHBondContact OD2-CB 3.41Å; D107-S113 PolarHBondContact OD2-N 3.03Å; D107-S113 PolarHBondContact OD2-OG 3.35Å; S113-G117 PolarHBondContact O-N 2.93Å; S113-V118 WeakPolarHBondContact O-CG2 3.18Å; S113-V118 PolarHBondContact O-N 3.18Å; S113-L119 PolarHBondContact O-N 3.46Å; S113-L119 VanDerWaalsContact O-N 3.09Å
114R98.2Very high98Very high98 Ų9842.4 Ų42.437%0.3722%0.223SC..Hα-helixtrans-73.7-44.1176.2-172.9174-66.2102.1-5.7112.1K110 S111 I112 Y116 G117 L119 E121K110-R114 VanDerWaalsContact O-CB 3.26Å; K110-R114 WeakPolarHBondContact O-CB 3.37Å; K110-R114 PolarHBondContact O-N 3.14Å; K110-R114 VanDerWaalsContact O-N 3.12Å; K110-R114 PolarHBondContact O-NH1 3.32Å; S111-R114 PolarHBondContact O-N 2.84Å; I112-R114 PolarHBondContact O-N 2.76Å; R114-Y116 VanDerWaalsContact C-N 3.26Å; R114-Y116 PolarHBondContact O-N 2.82Å; R114-G117 WeakPolarHBondContact O-CA 3.49Å; R114-G117 PolarHBondContact O-N 2.76Å; R114-L119 HydrophobicContact CB-CD2 4.26Å; R114-L119 VanDerWaalsContact CZ-CD2 3.5Å; R114-E121 IonicContact CZ-OE1 2.93Å; R114-E121 IonicContact NE-OE1 2.82Å; R114-E121 PolarHBondContact NE-OE1 3.25Å; R114-E121 IonicContact NH2-OE1 3.7Å; R114-E121 IonicContact NH2-OE2 2.76Å; R114-E121 PolarHBondContact NH2-OE2 3.02Å
115D98.4Very high98Very high53 Ų5343 Ų4328%0.28323%0.226SC..Hα-helixtrans-62.2-35.4177.2-78.2-30.1000112N5 A6 P13 S111 I112 G117N5-D115 WeakPolarHBondContact CA-O 3.36Å; N5-D115 PolarHBondContact N-O 3.31Å; N5-D115 PolarHBondContact ND2-OD1 3.13Å; A6-D115 PolarHBondContact N-O 2.85Å; P13-D115 HydrophobicContact CB-CB 4Å; S111-D115 WeakPolarHBondContact O-CB 3.38Å; S111-D115 PolarHBondContact O-N 2.78Å; I112-D115 PolarHBondContact O-N 3.5Å; D115-G117 VanDerWaalsContact C-N 3.28Å
116Y98.6Very high97.9Very high5 Ų543 Ų432%0.0223%0.226CC..THydrogen-bonded Turntrans-82.4-2.9173.7-79.8-103000113.5A6 P13 F15 L30 F43 I112 R114 V118 F131A6-Y116 HydrophobicContact CB-CD1 4.46Å; P13-Y116 HydrophobicContact CB-CD2 4.09Å; P13-Y116 HydrophobicContact CB-CE2 3.73Å; P13-Y116 HydrophobicContact CG-CD2 4.26Å; P13-Y116 HydrophobicContact CG-CE2 4.14Å; P13-Y116 WeakPolarHBondContact O-CE2 3.47Å; P13-Y116 PolarHBondContact O-OH 3.15Å; F15-Y116 HydrophobicContact CD1-CE2 4.02Å; L30-Y116 WeakPolarHBondContact CD2-OH 3.27Å; F43-Y116 AromaticContact CE2-CD1 3.78Å; F43-Y116 HydrophobicContact CE2-CD1 3.78Å; F43-Y116 HydrophobicContact CE2-CD2 4.35Å; F43-Y116 HydrophobicContact CE2-CE1 4.45Å; F43-Y116 AromaticContact CE2-CG 3.71Å; F43-Y116 HydrophobicContact CE2-CG 3.71Å; F43-Y116 HydrophobicContact CZ-CD1 4.08Å; F43-Y116 AromaticContact CZ-CD2 3.81Å; F43-Y116 HydrophobicContact CZ-CD2 3.81Å; F43-Y116 HydrophobicContact CZ-CE2 4.46Å; F43-Y116 AromaticContact CZ-CG 3.59Å; F43-Y116 HydrophobicContact CZ-CG 3.59Å; I112-Y116 HydrophobicContact CG2-CD2 3.9Å; I112-Y116 HydrophobicContact CG2-CE2 4.04Å; I112-Y116 WeakPolarHBondContact O-CB 3.33Å; I112-Y116 VanDerWaalsContact O-CD2 3.29Å; I112-Y116 WeakPolarHBondContact O-CD2 3.32Å; I112-Y116 PolarHBondContact O-N 3.31Å; R114-Y116 VanDerWaalsContact C-N 3.26Å; R114-Y116 PolarHBondContact O-N 2.82Å; Y116-V118 VanDerWaalsContact C-N 3.29Å; Y116-V118 PolarHBondContact O-N 2.54Å; Y116-F131 HydrophobicContact CD1-CB 4.42Å; Y116-F131 AromaticContact CD1-CD1 3.72Å; Y116-F131 HydrophobicContact CD1-CD1 3.72Å; Y116-F131 AromaticContact CD1-CD2 3.57Å; Y116-F131 HydrophobicContact CD1-CD2 3.57Å; Y116-F131 AromaticContact CD1-CE1 3.8Å; Y116-F131 HydrophobicContact CD1-CE1 3.8Å; Y116-F131 AromaticContact CD1-CE2 3.65Å; Y116-F131 HydrophobicContact CD1-CE2 3.65Å; Y116-F131 AromaticContact CD1-CG 3.62Å; Y116-F131 HydrophobicContact CD1-CG 3.62Å; Y116-F131 AromaticContact CD1-CZ 3.77Å; Y116-F131 HydrophobicContact CD1-CZ 3.77Å; Y116-F131 HydrophobicContact CE1-CB 4.21Å; Y116-F131 HydrophobicContact CE1-CD1 4.17Å; Y116-F131 HydrophobicContact CE1-CD2 4.14Å; Y116-F131 AromaticContact CE1-CG 3.91Å; Y116-F131 HydrophobicContact CE1-CG 3.91Å; Y116-F131 HydrophobicContact CG-CE2 4.27Å; Y116-F131 HydrophobicContact CG-CZ 4.34Å; Y116-F131 WeakPolarHBondContact O-CZ 3.45Å
117G98.2Very high97.9Very high7 Ų745.2 Ų45.27%0.07223%0.232CC..THydrogen-bonded Turntrans72.617.9175.700000114.9S113 R114 D115S113-G117 PolarHBondContact O-N 2.93Å; R114-G117 WeakPolarHBondContact O-CA 3.49Å; R114-G117 PolarHBondContact O-N 2.76Å; D115-G117 VanDerWaalsContact C-N 3.28Å
118V98.4Very high97.9Very high0 Ų045.6 Ų45.60%023%0.234CC..  trans-106.6-5.3-173.6-64.10000113.3F43 S113 Y116 K120 A126 Y127 F131 I144F43-V118 HydrophobicContact CB-CG2 4.15Å; F43-V118 HydrophobicContact CD1-CG2 3.86Å; F43-V118 HydrophobicContact CD2-CG2 3.94Å; F43-V118 HydrophobicContact CE1-CG2 4.23Å; F43-V118 HydrophobicContact CE2-CG2 4.31Å; F43-V118 HydrophobicContact CG-CG2 3.7Å; F43-V118 HydrophobicContact CZ-CG2 4.45Å; S113-V118 WeakPolarHBondContact O-CG2 3.18Å; S113-V118 PolarHBondContact O-N 3.18Å; Y116-V118 VanDerWaalsContact C-N 3.29Å; Y116-V118 PolarHBondContact O-N 2.54Å; V118-K120 PolarHBondContact O-N 2.93Å; V118-A126 HydrophobicContact CG2-CB 4.23Å; V118-A126 CarbonylContact O-C 3.55Å; V118-A126 WeakPolarHBondContact O-CA 3.33Å; V118-Y127 WeakPolarHBondContact O-CD2 3.17Å; V118-Y127 PolarHBondContact O-N 2.94Å; V118-F131 HydrophobicContact CG1-CE2 3.8Å; V118-F131 HydrophobicContact CG1-CZ 3.65Å; V118-I144 HydrophobicContact CG1-CD1 4.17Å; V118-I144 HydrophobicContact CG1-CG1 4.38Å
119L98.5Very high98Very high3 Ų340.1 Ų40.12%0.01621%0.205CC..EExtended strand (participates in β ladder)trans-66123.6175.5-173.964.8000111.1K110 S113 R114 E121K110-L119 HydrophobicContact CB-CD1 4.13Å; K110-L119 HydrophobicContact CB-CD2 3.94Å; K110-L119 HydrophobicContact CD-CD1 4Å; K110-L119 HydrophobicContact CD-CD2 4.46Å; S113-L119 PolarHBondContact O-N 3.46Å; S113-L119 VanDerWaalsContact O-N 3.09Å; R114-L119 HydrophobicContact CB-CD2 4.26Å; R114-L119 VanDerWaalsContact CZ-CD2 3.5Å; L119-E121 WeakPolarHBondContact CD2-OE2 3.41Å; L119-E121 PolarHBondContact O-N 3.01Å
120K97.4Very high98Very high21 Ų2135.2 Ų35.29%0.09118%0.175CC..EExtended strand (participates in β ladder)trans-83.690.3167.4-175.7170.2-164.6-60.70108.2V118 D122 E123 G124 I125 Y127 L147V118-K120 PolarHBondContact O-N 2.93Å; K120-D122 VanDerWaalsContact C-N 3.25Å; K120-D122 WeakPolarHBondContact CG-OD1 3.36Å; K120-D122 IonicContact NZ-OD1 3.99Å; K120-D122 PolarHBondContact NZ-OD1 3.18Å; K120-D122 IonicContact NZ-OD2 3.25Å; K120-D122 PolarHBondContact NZ-OD2 2.91Å; K120-D122 PolarHBondContact O-N 3.05Å; K120-E123 HydrophobicContact CD-CB 4.26Å; K120-E123 HydrophobicContact CD-CG 4.31Å; K120-E123 WeakPolarHBondContact CE-OE1 3.43Å; K120-E123 HydrophobicContact CG-CB 4.25Å; K120-E123 IonicContact NZ-OE1 3.92Å; K120-E123 PolarHBondContact NZ-OE1 2.94Å; K120-E123 PolarHBondContact O-N 2.84Å; K120-E123 VanDerWaalsContact O-N 3.07Å; K120-G124 PolarHBondContact O-N 3.09Å; K120-I125 HydrophobicContact CB-CG1 4.22Å; K120-I125 VanDerWaalsContact CB-O 3.3Å; K120-I125 WeakPolarHBondContact CB-O 3.45Å; K120-I125 PolarHBondContact N-O 2.88Å; K120-Y127 HydrophobicContact CB-CD2 3.98Å; K120-Y127 HydrophobicContact CB-CE2 3.65Å; K120-Y127 HydrophobicContact CD-CE1 4.1Å; K120-Y127 HydrophobicContact CD-CE2 4.15Å; K120-Y127 WeakPolarHBondContact CE-OH 3.48Å; K120-Y127 HydrophobicContact CG-CE2 3.9Å; K120-L147 HydrophobicContact CD-CD1 4.38Å
121E96.3Very high98.1Very high103 Ų10332.6 Ų32.648%0.48116%0.163SC..THydrogen-bonded Turntrans-58.6-30.4-168-67.4-74.9-174.900114.2R114 L119R114-E121 IonicContact CZ-OE1 2.93Å; R114-E121 IonicContact NE-OE1 2.82Å; R114-E121 PolarHBondContact NE-OE1 3.25Å; R114-E121 IonicContact NH2-OE1 3.7Å; R114-E121 IonicContact NH2-OE2 2.76Å; R114-E121 PolarHBondContact NH2-OE2 3.02Å; L119-E121 WeakPolarHBondContact CD2-OE2 3.41Å; L119-E121 PolarHBondContact O-N 3.01Å
122D96.5Very high98.1Very high128 Ų12830.2 Ų30.268%0.68415%0.147SC*.THydrogen-bonded Turntrans-76.4-19.9178.960.4-31.7000113.9K120K120-D122 VanDerWaalsContact C-N 3.25Å; K120-D122 WeakPolarHBondContact CG-OD1 3.36Å; K120-D122 IonicContact NZ-OD1 3.99Å; K120-D122 PolarHBondContact NZ-OD1 3.18Å; K120-D122 IonicContact NZ-OD2 3.25Å; K120-D122 PolarHBondContact NZ-OD2 2.91Å; K120-D122 PolarHBondContact O-N 3.05Å
123E96.5Very high98.1Very high109 Ų10930 Ų3051%0.50915%0.146SC..THydrogen-bonded Turntrans-115-11.8177.7-72.3-175.3-127.800113.6K120 I125K120-E123 HydrophobicContact CD-CB 4.26Å; K120-E123 HydrophobicContact CD-CG 4.31Å; K120-E123 WeakPolarHBondContact CE-OE1 3.43Å; K120-E123 HydrophobicContact CG-CB 4.25Å; K120-E123 IonicContact NZ-OE1 3.92Å; K120-E123 PolarHBondContact NZ-OE1 2.94Å; K120-E123 PolarHBondContact O-N 2.84Å; K120-E123 VanDerWaalsContact O-N 3.07Å; E123-I125 VanDerWaalsContact C-N 3.28Å; E123-I125 HydrophobicContact CB-CD1 4.08Å; E123-I125 HydrophobicContact CB-CG1 3.75Å; E123-I125 PolarHBondContact O-N 2.85Å; E123-I125 WeakPolarHBondContact OE2-CD1 3.38Å
124G97.3Very high98.1Very high18 Ų1830.3 Ų30.319%0.18615%0.148CC..THydrogen-bonded Turntrans70.221.2178.400000114.7K110 K120K110-G124 WeakPolarHBondContact CD-O 3.49Å; K110-G124 VanDerWaalsContact CE-O 3.3Å; K110-G124 WeakPolarHBondContact CE-O 3.33Å; K110-G124 PolarHBondContact NZ-O 3.24Å; K120-G124 PolarHBondContact O-N 3.09Å
125I98.3Very high98Very high13 Ų1326 Ų267%0.06713%0.134CC..EExtended strand (participates in β ladder)trans-121160.5-178.658.9170.2000111.2P45 L46 I78 K120 E123 L147P45-I125 HydrophobicContact CB-CD1 4.14Å; L46-I125 HydrophobicContact CD1-CG2 3.92Å; L46-I125 HydrophobicContact CD2-CG2 3.74Å; L46-I125 HydrophobicContact CG-CG2 3.64Å; I78-I125 HydrophobicContact CG1-CG2 4.43Å; K120-I125 HydrophobicContact CB-CG1 4.22Å; K120-I125 VanDerWaalsContact CB-O 3.3Å; K120-I125 WeakPolarHBondContact CB-O 3.45Å; K120-I125 PolarHBondContact N-O 2.88Å; E123-I125 VanDerWaalsContact C-N 3.28Å; E123-I125 HydrophobicContact CB-CD1 4.08Å; E123-I125 HydrophobicContact CB-CG1 3.75Å; E123-I125 PolarHBondContact O-N 2.85Å; E123-I125 WeakPolarHBondContact OE2-CD1 3.38Å; I125-L147 HydrophobicContact CD1-CD1 4.11Å; I125-L147 HydrophobicContact CD1-CD2 4.34Å
126A98.3Very high97.9Very high0 Ų030 Ų300%016%0.155CC..EExtended strand (participates in β ladder)trans-84.4142.6173.700000111.9F43 P45 V118F43-A126 HydrophobicContact CB-CB 3.91Å; F43-A126 HydrophobicContact CD1-CB 4.37Å; P45-A126 VanDerWaalsContact CA-O 3.28Å; P45-A126 WeakPolarHBondContact CA-O 3.29Å; P45-A126 WeakPolarHBondContact CG-O 3.11Å; V118-A126 HydrophobicContact CG2-CB 4.23Å; V118-A126 CarbonylContact O-C 3.55Å; V118-A126 WeakPolarHBondContact O-CA 3.33Å
127Y98.3Very high97.9Very high57 Ų5730 Ų3022%0.22416%0.157CC..  trans-63.2168.9158-78.2-73.3000110.7V118 K120 G129 D146 L147V118-Y127 WeakPolarHBondContact O-CD2 3.17Å; V118-Y127 PolarHBondContact O-N 2.94Å; K120-Y127 HydrophobicContact CB-CD2 3.98Å; K120-Y127 HydrophobicContact CB-CE2 3.65Å; K120-Y127 HydrophobicContact CD-CE1 4.1Å; K120-Y127 HydrophobicContact CD-CE2 4.15Å; K120-Y127 WeakPolarHBondContact CE-OH 3.48Å; K120-Y127 HydrophobicContact CG-CE2 3.9Å; Y127-G129 PolarHBondContact O-N 2.9Å; Y127-D146 WeakPolarHBondContact CE1-OD1 3.37Å; Y127-L147 HydrophobicContact CD1-CD2 4.04Å; Y127-L147 HydrophobicContact CD1-CG 4.38Å; Y127-L147 HydrophobicContact CE1-CD2 4.49Å; Y127-L147 HydrophobicContact CE1-CG 4.42Å
128R98.6Very high97.9Very high11 Ų1131.3 Ų31.34%0.04216%0.164CC..EExtended strand (participates in β ladder)trans-77.964.3176.4-64.4-174.8-168.9-61.5-20.5111.2P45 V51 E55 N145 L147 V149P45-R128 HydrophobicContact CG-CG 4.47Å; V51-R128 VanDerWaalsContact CG1-CZ 3.49Å; E55-R128 IonicContact OE2-CZ 2.88Å; E55-R128 IonicContact OE2-NE 2.92Å; E55-R128 IonicContact OE2-NH1 3.65Å; E55-R128 PolarHBondContact OE2-NH1 3.21Å; R128-N145 HydrophobicContact CB-CB 3.91Å; R128-N145 PolarHBondContact N-O 2.82Å; R128-N145 PolarHBondContact O-N 3.42Å; R128-N145 VanDerWaalsContact O-N 3.09Å; R128-L147 VanDerWaalsContact CZ-O 3.23Å; R128-L147 PolarHBondContact NE-O 3Å; R128-L147 PolarHBondContact NH2-O 3.43Å; R128-V149 VanDerWaalsContact CD-O 3.28Å; R128-V149 WeakPolarHBondContact CD-O 3.44Å
129G98.6Very high97.9Very high0 Ų031.3 Ų31.30%016%0.164CC..EExtended strand (participates in β ladder)trans-81.8137.7176.900000112.4F42 F43 Y127 T143 R151F42-G129 CarbonylContact C-O 3.58Å; F42-G129 WeakPolarHBondContact CA-O 3.34Å; F43-G129 PolarHBondContact N-O 2.86Å; Y127-G129 PolarHBondContact O-N 2.9Å; G129-T143 CarbonylContact C-O 3.47Å; G129-T143 VanDerWaalsContact CA-O 3.31Å; G129-T143 WeakPolarHBondContact CA-O 3.32Å; G129-R151 PolarHBondContact O-NH1 3.2Å
130L98.9Very high97.9Very high1 Ų133.7 Ų33.71%0.00517%0.172CC..EExtended strand (participates in β ladder)trans-134.7136.8175.5179.3154000108.9V40 V41 F42 F59 V132 I142 T143 T156V40-L130 HydrophobicContact CG1-CD1 4Å; V40-L130 HydrophobicContact CG1-CD2 4.21Å; V40-L130 HydrophobicContact CG1-CG 3.95Å; V41-L130 CarbonylContact O-C 3.31Å; V41-L130 WeakPolarHBondContact O-CA 3.25Å; F42-L130 HydrophobicContact CB-CB 4.14Å; F42-L130 HydrophobicContact CB-CD1 4.04Å; F42-L130 HydrophobicContact CB-CG 4.08Å; F59-L130 HydrophobicContact CE2-CD1 4.24Å; F59-L130 HydrophobicContact CZ-CD1 3.66Å; L130-V132 HydrophobicContact CD2-CG2 4.11Å; L130-I142 WeakPolarHBondContact O-CA 3.12Å; L130-T143 PolarHBondContact N-O 3.44Å; L130-T143 PolarHBondContact O-N 2.93Å; L130-T156 HydrophobicContact CD1-CG2 3.96Å; L130-T156 WeakPolarHBondContact CD1-OG1 3.47Å; L130-T156 HydrophobicContact CD2-CG2 4.06Å
131F98.9Very high97.9Very high1 Ų134.1 Ų34.10%0.00418%0.175CC..EExtended strand (participates in β ladder)trans-131.2128.7-172.8-60.7-94.2000109.4A6 V40 V41 F43 Y116 V118 L139 Q141 I142A6-F131 HydrophobicContact CB-CE1 3.99Å; V40-F131 WeakPolarHBondContact CA-O 3.28Å; V41-F131 PolarHBondContact N-O 3.48Å; V41-F131 PolarHBondContact O-N 3.28Å; F43-F131 AromaticContact CD2-CD2 3.93Å; F43-F131 HydrophobicContact CD2-CD2 3.93Å; F43-F131 AromaticContact CD2-CE2 3.67Å; F43-F131 HydrophobicContact CD2-CE2 3.67Å; F43-F131 AromaticContact CE2-CD2 3.7Å; F43-F131 HydrophobicContact CE2-CD2 3.7Å; F43-F131 AromaticContact CE2-CE2 3.59Å; F43-F131 HydrophobicContact CE2-CE2 3.59Å; Y116-F131 HydrophobicContact CD1-CB 4.42Å; Y116-F131 AromaticContact CD1-CD1 3.72Å; Y116-F131 HydrophobicContact CD1-CD1 3.72Å; Y116-F131 AromaticContact CD1-CD2 3.57Å; Y116-F131 HydrophobicContact CD1-CD2 3.57Å; Y116-F131 AromaticContact CD1-CE1 3.8Å; Y116-F131 HydrophobicContact CD1-CE1 3.8Å; Y116-F131 AromaticContact CD1-CE2 3.65Å; Y116-F131 HydrophobicContact CD1-CE2 3.65Å; Y116-F131 AromaticContact CD1-CG 3.62Å; Y116-F131 HydrophobicContact CD1-CG 3.62Å; Y116-F131 AromaticContact CD1-CZ 3.77Å; Y116-F131 HydrophobicContact CD1-CZ 3.77Å; Y116-F131 HydrophobicContact CE1-CB 4.21Å; Y116-F131 HydrophobicContact CE1-CD1 4.17Å; Y116-F131 HydrophobicContact CE1-CD2 4.14Å; Y116-F131 AromaticContact CE1-CG 3.91Å; Y116-F131 HydrophobicContact CE1-CG 3.91Å; Y116-F131 HydrophobicContact CG-CE2 4.27Å; Y116-F131 HydrophobicContact CG-CZ 4.34Å; Y116-F131 WeakPolarHBondContact O-CZ 3.45Å; V118-F131 HydrophobicContact CG1-CE2 3.8Å; V118-F131 HydrophobicContact CG1-CZ 3.65Å; F131-L139 HydrophobicContact CB-CD1 3.8Å; F131-L139 HydrophobicContact CD1-CD1 3.81Å; F131-L139 HydrophobicContact CD1-CD2 4.12Å; F131-L139 HydrophobicContact CG-CD1 4.3Å; F131-Q141 WeakPolarHBondContact CA-O 3.42Å; F131-I142 HydrophobicContact CD1-CB 4.42Å; F131-I142 HydrophobicContact CD1-CD1 4.42Å; F131-I142 HydrophobicContact CD1-CG1 3.81Å; F131-I142 HydrophobicContact CD1-CG2 4.26Å; F131-I142 HydrophobicContact CE1-CB 4.32Å; F131-I142 HydrophobicContact CE1-CD1 4.1Å; F131-I142 HydrophobicContact CE1-CG1 3.86Å; F131-I142 HydrophobicContact CE1-CG2 3.73Å; F131-I142 HydrophobicContact CZ-CG2 4.23Å
132V98.9Very high98.1Very high0 Ų031.9 Ų31.90%017%0.166CC..EExtended strand (participates in β ladder)trans-102.7120.8171.7-176.60000108.7Y38 V40 L130 R140 Q141 V160 F163Y38-V132 HydrophobicContact CD1-CG1 3.97Å; Y38-V132 HydrophobicContact CE1-CG1 4.25Å; V40-V132 HydrophobicContact CG2-CG2 4.44Å; L130-V132 HydrophobicContact CD2-CG2 4.11Å; V132-R140 PolarHBondContact O-N 3.45Å; V132-Q141 HydrophobicContact CB-CB 3.77Å; V132-Q141 HydrophobicContact CG2-CB 3.89Å; V132-Q141 PolarHBondContact N-O 3.17Å; V132-Q141 VanDerWaalsContact N-O 3.08Å; V132-Q141 PolarHBondContact O-N 2.83Å; V132-V160 HydrophobicContact CG1-CG2 3.91Å; V132-V160 HydrophobicContact CG2-CG2 4.41Å; V132-F163 HydrophobicContact CG1-CD2 4.47Å
133I98.8Very high98.2Very high2 Ų227.7 Ų27.71%0.0114%0.144CC..EExtended strand (participates in β ladder)trans-117.9131.8-176-58.8160.2000108A12 L30 Y38 V39 V41 T138 L139A12-I133 HydrophobicContact CB-CD1 3.66Å; A12-I133 HydrophobicContact CB-CG1 3.74Å; A12-I133 HydrophobicContact CB-CG2 3.99Å; L30-I133 HydrophobicContact CD1-CD1 3.99Å; L30-I133 HydrophobicContact CD2-CD1 4.08Å; Y38-I133 CarbonylContact C-O 3.57Å; Y38-I133 WeakPolarHBondContact CA-O 3.07Å; Y38-I133 WeakPolarHBondContact CD1-O 3.19Å; V39-I133 HydrophobicContact CB-CB 4.37Å; V39-I133 PolarHBondContact N-O 2.83Å; V39-I133 PolarHBondContact O-N 3.19Å; V41-I133 HydrophobicContact CG2-CD1 3.95Å; I133-T138 WeakPolarHBondContact CA-O 3.44Å; I133-L139 HydrophobicContact CG1-CD1 4.01Å
134D98.4Very high98.2Very high7 Ų725.3 Ų25.34%0.03714%0.135CC..  trans-81.4175.5-178.672.320.1000113.7Y38 N136 G137 T138 R140Y38-D134 HydrophobicContact CD1-CB 4.4Å; Y38-D134 HydrophobicContact CD2-CB 4.42Å; Y38-D134 HydrophobicContact CE1-CB 3.79Å; Y38-D134 HydrophobicContact CE2-CB 3.8Å; Y38-D134 VanDerWaalsContact CZ-CB 3.45Å; D134-N136 PolarHBondContact O-N 2.69Å; D134-N136 VanDerWaalsContact O-N 3.1Å; D134-N136 WeakPolarHBondContact OD1-CA 3.48Å; D134-N136 WeakPolarHBondContact OD1-CB 3.38Å; D134-N136 PolarHBondContact OD1-N 2.73Å; D134-G137 WeakPolarHBondContact O-CA 3.3Å; D134-G137 PolarHBondContact O-N 3.26Å; D134-G137 PolarHBondContact OD1-N 3.25Å; D134-G137 VanDerWaalsContact OD1-N 3.15Å; D134-T138 PolarHBondContact N-O 2.91Å; D134-T138 WeakPolarHBondContact OD1-CB 3.49Å; D134-T138 PolarHBondContact OD1-N 3.35Å; D134-T138 WeakPolarHBondContact OD2-CB 3.48Å; D134-R140 HydrophobicContact CB-CG 3.85Å; D134-R140 WeakPolarHBondContact OD2-CD 3.44Å; D134-R140 IonicContact OD2-CZ 3.75Å; D134-R140 IonicContact OD2-NE 3.72Å; D134-R140 IonicContact OD2-NH1 3.25Å; D134-R140 PolarHBondContact OD2-NH1 3.29Å
135G96.4Very high98.3Very high8 Ų826.2 Ų26.28%0.08214%0.135CC..THydrogen-bonded Turntrans-62.3-14.3-179.700000116G35 G36 K37G35-G135 PolarHBondContact N-O 2.88Å; G36-G135 PolarHBondContact N-O 3.15Å; G36-G135 VanDerWaalsContact N-O 3.14Å; K37-G135 WeakPolarHBondContact O-CA 3.41Å
136N96.1Very high98.2Very high135 Ų13530.1 Ų30.172%0.72216%0.156SC*.THydrogen-bonded Turntrans-94-2.1173.7-62.2-42.8000112D134D134-N136 PolarHBondContact O-N 2.69Å; D134-N136 VanDerWaalsContact O-N 3.1Å; D134-N136 WeakPolarHBondContact OD1-CA 3.48Å; D134-N136 WeakPolarHBondContact OD1-CB 3.38Å; D134-N136 PolarHBondContact OD1-N 2.73Å
137G97.4Very high98.1Very high6 Ų632 Ų326%0.06217%0.166CC..SBendtrans80.317.1-17500000113.7P11 A12 D134P11-G137 WeakPolarHBondContact CA-O 3.39Å; A12-G137 PolarHBondContact N-O 2.71Å; D134-G137 WeakPolarHBondContact O-CA 3.3Å; D134-G137 PolarHBondContact O-N 3.26Å; D134-G137 PolarHBondContact OD1-N 3.25Å; D134-G137 VanDerWaalsContact OD1-N 3.15Å
138T98.1Very high98Very high35 Ų3533.8 Ų33.822%0.21518%0.184CC..BIsolated β-bridgetrans-86.2133.6177.4-49.60000110K10 I133 D134 R140K10-T138 WeakPolarHBondContact O-CA 3.4Å; K10-T138 WeakPolarHBondContact O-CG2 3.25Å; I133-T138 WeakPolarHBondContact CA-O 3.44Å; D134-T138 PolarHBondContact N-O 2.91Å; D134-T138 WeakPolarHBondContact OD1-CB 3.49Å; D134-T138 PolarHBondContact OD1-N 3.35Å; D134-T138 WeakPolarHBondContact OD2-CB 3.48Å; T138-R140 PolarHBondContact O-N 3.29Å
139L98.8Very high97.9Very high0 Ų037.3 Ų37.30%021%0.207CC..EExtended strand (participates in β ladder)trans-73.4123.8175.1-178.961.7000110.6A6 I8 G9 K10 A12 F131 I133 Q141 I142A6-L139 HydrophobicContact CB-CD2 3.79Å; I8-L139 WeakPolarHBondContact CA-O 3.25Å; G9-L139 PolarHBondContact N-O 2.9Å; K10-L139 PolarHBondContact O-N 3.12Å; A12-L139 HydrophobicContact CB-CB 4.24Å; F131-L139 HydrophobicContact CB-CD1 3.8Å; F131-L139 HydrophobicContact CD1-CD1 3.81Å; F131-L139 HydrophobicContact CD1-CD2 4.12Å; F131-L139 HydrophobicContact CG-CD1 4.3Å; I133-L139 HydrophobicContact CG1-CD1 4.01Å; L139-Q141 WeakPolarHBondContact CD1-O 3.45Å; L139-I142 HydrophobicContact CD1-CG1 4.44Å; L139-I142 HydrophobicContact CD2-CD1 3.79Å; L139-I142 HydrophobicContact CD2-CG1 3.89Å; L139-I142 HydrophobicContact CG-CG1 4.32Å
140R98.6Very high97.8Very high53 Ų5338.9 Ų38.920%0.222%0.224CC..EExtended strand (participates in β ladder)trans-109.5-29.2-174.6-52.9-56.4-73.4-85.7-7.8113.5V132 D134 T138 F163 D167V132-R140 PolarHBondContact O-N 3.45Å; D134-R140 HydrophobicContact CB-CG 3.85Å; D134-R140 WeakPolarHBondContact OD2-CD 3.44Å; D134-R140 IonicContact OD2-CZ 3.75Å; D134-R140 IonicContact OD2-NE 3.72Å; D134-R140 IonicContact OD2-NH1 3.25Å; D134-R140 PolarHBondContact OD2-NH1 3.29Å; T138-R140 PolarHBondContact O-N 3.29Å; R140-F163 HydrophobicContact CB-CD1 3.99Å; R140-F163 HydrophobicContact CB-CD2 4.1Å; R140-F163 HydrophobicContact CB-CE1 3.86Å; R140-F163 HydrophobicContact CB-CE2 4.01Å; R140-F163 HydrophobicContact CB-CG 4.1Å; R140-F163 HydrophobicContact CB-CZ 3.88Å; R140-F163 HydrophobicContact CG-CD1 4.48Å; R140-F163 VanDerWaalsContact O-CZ 3.27Å; R140-F163 WeakPolarHBondContact O-CZ 3.24Å; R140-D167 IonicContact CZ-OD1 3.45Å; R140-D167 IonicContact NH1-OD1 3.35Å; R140-D167 PolarHBondContact NH1-OD1 2.95Å; R140-D167 IonicContact NH1-OD2 3.78Å; R140-D167 PolarHBondContact NH1-OD2 3.48Å; R140-D167 IonicContact NH2-OD1 2.71Å; R140-D167 PolarHBondContact NH2-OD1 3.16Å
141Q98.8Very high97.8Very high30 Ų3040.3 Ų40.314%0.1423%0.229CC..EExtended strand (participates in β ladder)trans-149.3144.1-173.4-159.1-82.6-33.500111.4F131 V132 L139 T143 L159 F163F131-Q141 WeakPolarHBondContact CA-O 3.42Å; V132-Q141 HydrophobicContact CB-CB 3.77Å; V132-Q141 HydrophobicContact CG2-CB 3.89Å; V132-Q141 PolarHBondContact N-O 3.17Å; V132-Q141 VanDerWaalsContact N-O 3.08Å; V132-Q141 PolarHBondContact O-N 2.83Å; L139-Q141 WeakPolarHBondContact CD1-O 3.45Å; Q141-T143 VanDerWaalsContact CD-OG1 3.32Å; Q141-T143 PolarHBondContact NE2-OG1 3.29Å; Q141-T143 PolarHBondContact OE1-OG1 2.87Å; Q141-L159 HydrophobicContact CG-CD1 4.09Å; Q141-F163 HydrophobicContact CB-CE2 3.78Å; Q141-F163 HydrophobicContact CB-CZ 4.23Å; Q141-F163 HydrophobicContact CG-CE2 4.19Å
142I98.8Very high97.7Very high56 Ų5643 Ų4329%0.28725%0.248SC..EExtended strand (participates in β ladder)trans-131.5124.6174.3-56178000108.4I8 L130 F131 L139 I144I8-I142 HydrophobicContact CD1-CD1 4.5Å; I8-I142 HydrophobicContact CD1-CG1 4.32Å; I8-I142 HydrophobicContact CG1-CD1 4.01Å; I8-I142 HydrophobicContact CG1-CG1 4.04Å; L130-I142 WeakPolarHBondContact O-CA 3.12Å; F131-I142 HydrophobicContact CD1-CB 4.42Å; F131-I142 HydrophobicContact CD1-CD1 4.42Å; F131-I142 HydrophobicContact CD1-CG1 3.81Å; F131-I142 HydrophobicContact CD1-CG2 4.26Å; F131-I142 HydrophobicContact CE1-CB 4.32Å; F131-I142 HydrophobicContact CE1-CD1 4.1Å; F131-I142 HydrophobicContact CE1-CG1 3.86Å; F131-I142 HydrophobicContact CE1-CG2 3.73Å; F131-I142 HydrophobicContact CZ-CG2 4.23Å; L139-I142 HydrophobicContact CD1-CG1 4.44Å; L139-I142 HydrophobicContact CD2-CD1 3.79Å; L139-I142 HydrophobicContact CD2-CG1 3.89Å; L139-I142 HydrophobicContact CG-CG1 4.32Å; I142-I144 HydrophobicContact CG2-CD1 3.93Å; I142-I144 HydrophobicContact CG2-CG1 3.86Å
143T98.7Very high97.7Very high39 Ų3943.6 Ų43.624%0.23925%0.252CS..EExtended strand (participates in β ladder)trans-119.4126.8168.4-53.60000108.3G129 L130 Q141G129-T143 CarbonylContact C-O 3.47Å; G129-T143 VanDerWaalsContact CA-O 3.31Å; G129-T143 WeakPolarHBondContact CA-O 3.32Å; L130-T143 PolarHBondContact N-O 3.44Å; L130-T143 PolarHBondContact O-N 2.93Å; Q141-T143 VanDerWaalsContact CD-OG1 3.32Å; Q141-T143 PolarHBondContact NE2-OG1 3.29Å; Q141-T143 PolarHBondContact OE1-OG1 2.87Å
144I98.3Very high97.7Very high60 Ų6048.2 Ų48.231%0.30828%0.276SS..EExtended strand (participates in β ladder)trans-129.2113.1175-58.7173.2000108M1 V118 I142M1-I144 HydrophobicContact CE-CD1 4.38Å; M1-I144 HydrophobicContact SD-CD1 3.53Å; M1-I144 VanDerWaalsContact SD-CD1 3.53Å; V118-I144 HydrophobicContact CG1-CD1 4.17Å; V118-I144 HydrophobicContact CG1-CG1 4.38Å; I142-I144 HydrophobicContact CG2-CD1 3.93Å; I142-I144 HydrophobicContact CG2-CG1 3.86Å
145N98.3Very high97.7Very high37 Ų3751.7 Ų51.720%0.19829%0.292CS..EExtended strand (participates in β ladder)trans-95.4149.7170.6-70.720.1000110.1R128 V149 G150R128-N145 HydrophobicContact CB-CB 3.91Å; R128-N145 PolarHBondContact N-O 2.82Å; R128-N145 PolarHBondContact O-N 3.42Å; R128-N145 VanDerWaalsContact O-N 3.09Å; N145-V149 WeakPolarHBondContact CB-O 3.4Å; N145-V149 PolarHBondContact ND2-O 3.48Å; N145-G150 PolarHBondContact ND2-O 3.21Å
146D97.3Very high97.9Very high94 Ų9451.6 Ų51.650%0.50329%0.29SS..  trans-66.4164162.5-167.218.5000110.7Y127 V149Y127-D146 WeakPolarHBondContact CE1-OD1 3.37Å; D146-V149 PolarHBondContact O-N 3.37Å
147L95.6Very high98Very high40 Ų4045.9 Ų45.921%0.20926%0.26CS..THydrogen-bonded Turntrans-55.2-38-172.5-53.9-178.7000115.7P45 K120 I125 Y127 R128 V149P45-L147 HydrophobicContact CB-CD2 4.36Å; P45-L147 HydrophobicContact CG-CD2 3.63Å; K120-L147 HydrophobicContact CD-CD1 4.38Å; I125-L147 HydrophobicContact CD1-CD1 4.11Å; I125-L147 HydrophobicContact CD1-CD2 4.34Å; Y127-L147 HydrophobicContact CD1-CD2 4.04Å; Y127-L147 HydrophobicContact CD1-CG 4.38Å; Y127-L147 HydrophobicContact CE1-CD2 4.49Å; Y127-L147 HydrophobicContact CE1-CG 4.42Å; R128-L147 VanDerWaalsContact CZ-O 3.23Å; R128-L147 PolarHBondContact NE-O 3Å; R128-L147 PolarHBondContact NH2-O 3.43Å; L147-V149 VanDerWaalsContact C-N 3.34Å; L147-V149 PolarHBondContact O-N 3.36Å
148P95.6Very high98.1Very high94 Ų9447.5 Ų47.561%0.6126%0.264SS*.THydrogen-bonded Turntrans-80.2-9.3-17329.4-32.6000114.6
149V96.8Very high98.1Very high85 Ų8547 Ų4752%0.51526%0.26SS..  trans-117.8114.8-171.6-175.30000111.8R128 N145 D146 L147R128-V149 VanDerWaalsContact CD-O 3.28Å; R128-V149 WeakPolarHBondContact CD-O 3.44Å; N145-V149 WeakPolarHBondContact CB-O 3.4Å; N145-V149 PolarHBondContact ND2-O 3.48Å; D146-V149 PolarHBondContact O-N 3.37Å; L147-V149 VanDerWaalsContact C-N 3.34Å; L147-V149 PolarHBondContact O-N 3.36Å
150G96Very high98.1Very high34 Ų3447 Ų4735%0.35126%0.26SS..PPolyproline II helixtrans-68.9159.4175.100000113.9E55 N145E55-G150 WeakPolarHBondContact OE1-CA 3.48Å; N145-G150 PolarHBondContact ND2-O 3.21Å
151R98.5Very high98.1Very high30 Ų3046.9 Ų46.911%0.11326%0.261CS..PPolyproline II helixtrans-89.5167.7178.6-69.3160.5-71.5-161.1-5.9112.3F43 E55 G129F43-R151 VanDerWaalsContact O-CZ 3.26Å; F43-R151 PolarHBondContact O-NH1 3.24Å; F43-R151 PolarHBondContact O-NH2 3.45Å; E55-R151 VanDerWaalsContact CD-NH2 3.29Å; E55-R151 WeakPolarHBondContact OE1-CB 3.49Å; E55-R151 IonicContact OE1-CZ 2.63Å; E55-R151 PolarHBondContact OE1-N 2.98Å; E55-R151 IonicContact OE1-NE 3.59Å; E55-R151 PolarHBondContact OE1-NE 3.4Å; E55-R151 IonicContact OE1-NH2 2.74Å; E55-R151 PolarHBondContact OE1-NH2 3.4Å; E55-R151 IonicContact OE2-CZ 2.71Å; E55-R151 IonicContact OE2-NE 2.75Å; E55-R151 IonicContact OE2-NH2 2.89Å; E55-R151 PolarHBondContact OE2-NH2 3Å; G129-R151 PolarHBondContact O-NH1 3.2Å
152S98.6Very high98.1Very high58 Ų5845.9 Ų45.941%0.40626%0.259SS..PPolyproline II helixtrans-103.4122.3175.8175.10000111.8D154 E155 T156S152-D154 PolarHBondContact OG-N 3.04Å; S152-E155 PolarHBondContact OG-N 3.42Å; S152-E155 VanDerWaalsContact OG-N 3.17Å; S152-T156 PolarHBondContact O-N 3.31Å; S152-T156 VanDerWaalsContact O-N 3.17Å; S152-T156 PolarHBondContact O-OG1 2.93Å
153V98.6Very high98.1Very high13 Ų1345.4 Ų45.48%0.07925%0.254CS..Hα-helixtrans-67.9-38.2173.6179.70000111A58 F59 R62 F66 T156 L157A58-V153 HydrophobicContact CB-CG2 3.68Å; F59-V153 HydrophobicContact CD1-CG1 4.02Å; F59-V153 HydrophobicContact CD1-CG2 4.01Å; F59-V153 HydrophobicContact CD2-CG2 4.03Å; F59-V153 HydrophobicContact CE1-CB 4.31Å; F59-V153 HydrophobicContact CE1-CG1 4.06Å; F59-V153 HydrophobicContact CE1-CG2 4Å; F59-V153 HydrophobicContact CE2-CG2 4.01Å; F59-V153 HydrophobicContact CG-CG2 4.02Å; F59-V153 HydrophobicContact CZ-CG2 3.99Å; R62-V153 HydrophobicContact CB-CG1 3.96Å; R62-V153 HydrophobicContact CG-CG1 4.04Å; F66-V153 HydrophobicContact CE2-CG1 3.78Å; F66-V153 HydrophobicContact CZ-CG1 4.02Å; V153-T156 WeakPolarHBondContact O-CB 3.24Å; V153-T156 PolarHBondContact O-N 2.71Å; V153-L157 WeakPolarHBondContact O-CB 3.26Å; V153-L157 PolarHBondContact O-N 3.26Å
154D98.6Very high98.1Very high99 Ų9945.7 Ų45.753%0.52925%0.253SS..Hα-helixtrans-66.8-40.1179.4-64.3-62000112.2R62 S152 T156 L157 R158R62-D154 IonicContact CZ-OD1 2.78Å; R62-D154 IonicContact NH1-OD1 3.68Å; R62-D154 PolarHBondContact NH1-OD1 2.9Å; R62-D154 IonicContact NH2-OD1 3.22Å; S152-D154 PolarHBondContact OG-N 3.04Å; D154-T156 VanDerWaalsContact C-N 3.33Å; D154-L157 PolarHBondContact O-N 3.35Å; D154-R158 WeakPolarHBondContact O-CB 3.36Å; D154-R158 PolarHBondContact O-N 3.47Å
155E98.8Very high98.1Very high79 Ų7945 Ų4537%0.36925%0.248SC..Hα-helixtrans-66-39.9174.6178.756.4-166.400111.3S152 L157 R158 L159S152-E155 PolarHBondContact OG-N 3.42Å; S152-E155 VanDerWaalsContact OG-N 3.17Å; E155-L157 PolarHBondContact O-N 3.48Å; E155-R158 WeakPolarHBondContact O-CB 3.37Å; E155-R158 PolarHBondContact O-N 3.23Å; E155-R158 IonicContact OE1-CZ 3.75Å; E155-R158 IonicContact OE1-NE 3.65Å; E155-R158 PolarHBondContact OE1-NE 3.04Å; E155-R158 IonicContact OE1-NH2 2.83Å; E155-R158 PolarHBondContact OE1-NH2 3.09Å; E155-R158 IonicContact OE2-CZ 2.74Å; E155-R158 IonicContact OE2-NE 3.8Å; E155-R158 PolarHBondContact OE2-NE 3.12Å; E155-R158 IonicContact OE2-NH2 2.76Å; E155-L159 HydrophobicContact CG-CD1 4.03Å; E155-L159 HydrophobicContact CG-CG 4.49Å; E155-L159 WeakPolarHBondContact O-CB 3.45Å; E155-L159 VanDerWaalsContact O-CG 3.3Å; E155-L159 WeakPolarHBondContact O-CG 3.44Å; E155-L159 PolarHBondContact O-N 3.32Å
156T98.9Very high98.1Very high6 Ų644.7 Ų44.74%0.03725%0.248CC..Hα-helixtrans-60.5-46.9175.6-54.90000110.8V40 F59 F66 L130 S152 V153 D154 R158 L159 V160V40-T156 HydrophobicContact CG1-CG2 3.87Å; V40-T156 HydrophobicContact CG2-CG2 3.82Å; F59-T156 HydrophobicContact CE1-CG2 3.98Å; F59-T156 HydrophobicContact CZ-CG2 4.24Å; F66-T156 HydrophobicContact CE1-CG2 4.01Å; F66-T156 HydrophobicContact CZ-CG2 4.2Å; L130-T156 HydrophobicContact CD1-CG2 3.96Å; L130-T156 WeakPolarHBondContact CD1-OG1 3.47Å; L130-T156 HydrophobicContact CD2-CG2 4.06Å; S152-T156 PolarHBondContact O-N 3.31Å; S152-T156 VanDerWaalsContact O-N 3.17Å; S152-T156 PolarHBondContact O-OG1 2.93Å; V153-T156 WeakPolarHBondContact O-CB 3.24Å; V153-T156 PolarHBondContact O-N 2.71Å; D154-T156 VanDerWaalsContact C-N 3.33Å; T156-R158 PolarHBondContact O-N 3.27Å; T156-L159 PolarHBondContact O-N 3.39Å; T156-V160 WeakPolarHBondContact O-CG2 3.4Å; T156-V160 PolarHBondContact O-N 2.83Å
157L98.8Very high98.1Very high16 Ų1644 Ų448%0.08424%0.244CC..Hα-helixtrans-61.8-43177.2-174.564000111.7D65 F66 I69 V153 D154 E155 L159 V160 Q161D65-L157 HydrophobicContact CB-CD2 4.19Å; F66-L157 HydrophobicContact CD1-CD1 3.9Å; F66-L157 HydrophobicContact CE1-CB 4.08Å; F66-L157 HydrophobicContact CE1-CD1 3.9Å; F66-L157 HydrophobicContact CG-CD1 4.22Å; F66-L157 HydrophobicContact CZ-CB 3.95Å; F66-L157 HydrophobicContact CZ-CD1 4.22Å; I69-L157 HydrophobicContact CD1-CD1 3.58Å; I69-L157 HydrophobicContact CG1-CD1 4.43Å; V153-L157 WeakPolarHBondContact O-CB 3.26Å; V153-L157 PolarHBondContact O-N 3.26Å; D154-L157 PolarHBondContact O-N 3.35Å; E155-L157 PolarHBondContact O-N 3.48Å; L157-L159 VanDerWaalsContact C-N 3.34Å; L157-L159 PolarHBondContact O-N 2.77Å; L157-V160 PolarHBondContact O-N 3.37Å; L157-Q161 VanDerWaalsContact O-CG 3.3Å; L157-Q161 WeakPolarHBondContact O-CG 3.33Å; L157-Q161 PolarHBondContact O-N 2.91Å
158R98.8Very high98.1Very high39 Ų3950.1 Ų50.115%0.14727%0.269CS..Hα-helixtrans-59.4-44176.3-170-163.772.871.94.3111.6D154 E155 T156 Q161 A162 W177 K178D154-R158 WeakPolarHBondContact O-CB 3.36Å; D154-R158 PolarHBondContact O-N 3.47Å; E155-R158 WeakPolarHBondContact O-CB 3.37Å; E155-R158 PolarHBondContact O-N 3.23Å; E155-R158 IonicContact OE1-CZ 3.75Å; E155-R158 IonicContact OE1-NE 3.65Å; E155-R158 PolarHBondContact OE1-NE 3.04Å; E155-R158 IonicContact OE1-NH2 2.83Å; E155-R158 PolarHBondContact OE1-NH2 3.09Å; E155-R158 IonicContact OE2-CZ 2.74Å; E155-R158 IonicContact OE2-NE 3.8Å; E155-R158 PolarHBondContact OE2-NE 3.12Å; E155-R158 IonicContact OE2-NH2 2.76Å; T156-R158 PolarHBondContact O-N 3.27Å; R158-Q161 PolarHBondContact O-N 3.4Å; R158-A162 WeakPolarHBondContact O-CB 3.3Å; R158-A162 PolarHBondContact O-N 3.23Å; R158-W177 WeakPolarHBondContact CD-O 3.45Å; R158-W177 VanDerWaalsContact CG-O 3.25Å; R158-W177 WeakPolarHBondContact CG-O 3.12Å; R158-W177 PolarHBondContact NH1-O 2.96Å; R158-K178 HydrophobicContact CG-CG 4.31Å
159L98.9Very high98.2Very high26 Ų2650.3 Ų50.314%0.13626%0.262CS..Hα-helixtrans-64.6-44.5178.6-73.1165.6000111.6Q141 E155 T156 L157 Q161 A162 F163Q141-L159 HydrophobicContact CG-CD1 4.09Å; E155-L159 HydrophobicContact CG-CD1 4.03Å; E155-L159 HydrophobicContact CG-CG 4.49Å; E155-L159 WeakPolarHBondContact O-CB 3.45Å; E155-L159 VanDerWaalsContact O-CG 3.3Å; E155-L159 WeakPolarHBondContact O-CG 3.44Å; E155-L159 PolarHBondContact O-N 3.32Å; T156-L159 PolarHBondContact O-N 3.39Å; L157-L159 VanDerWaalsContact C-N 3.34Å; L157-L159 PolarHBondContact O-N 2.77Å; L159-Q161 VanDerWaalsContact C-N 3.34Å; L159-Q161 PolarHBondContact O-N 3.26Å; L159-A162 PolarHBondContact O-N 2.82Å; L159-F163 WeakPolarHBondContact O-CD2 3.47Å; L159-F163 PolarHBondContact O-N 3.07Å
160V98.8Very high98.2Very high0 Ų048.7 Ų48.70%026%0.263CS..Hα-helixtrans-58.3-47.9175176.20000110.5Y38 V40 F66 I69 C71 V132 T156 L157 A162 F163 Q164Y38-V160 HydrophobicContact CD1-CG1 4.11Å; Y38-V160 HydrophobicContact CG-CG1 4.34Å; V40-V160 HydrophobicContact CG2-CG2 3.84Å; F66-V160 HydrophobicContact CE1-CG2 4.39Å; I69-V160 HydrophobicContact CD1-CB 4.1Å; I69-V160 HydrophobicContact CD1-CG1 3.56Å; I69-V160 HydrophobicContact CG1-CG1 4.36Å; C71-V160 HydrophobicContact CB-CG1 3.95Å; V132-V160 HydrophobicContact CG1-CG2 3.91Å; V132-V160 HydrophobicContact CG2-CG2 4.41Å; T156-V160 WeakPolarHBondContact O-CG2 3.4Å; T156-V160 PolarHBondContact O-N 2.83Å; L157-V160 PolarHBondContact O-N 3.37Å; V160-A162 VanDerWaalsContact C-N 3.32Å; V160-A162 PolarHBondContact O-N 2.91Å; V160-F163 PolarHBondContact O-N 3.32Å; V160-Q164 HydrophobicContact CG1-CG 4.48Å; V160-Q164 WeakPolarHBondContact O-CG 3.48Å; V160-Q164 PolarHBondContact O-N 3.48Å
161Q98.8Very high98.2Very high49 Ų4949.7 Ų49.723%0.22926%0.258CS..Hα-helixtrans-61.6-39.1178.1-70.7171.6-24.400112.4I69 L157 R158 L159 H165 W177 P179I69-Q161 HydrophobicContact CD1-CG 3.68Å; L157-Q161 VanDerWaalsContact O-CG 3.3Å; L157-Q161 WeakPolarHBondContact O-CG 3.33Å; L157-Q161 PolarHBondContact O-N 2.91Å; R158-Q161 PolarHBondContact O-N 3.4Å; L159-Q161 VanDerWaalsContact C-N 3.34Å; L159-Q161 PolarHBondContact O-N 3.26Å; Q161-H165 WeakPolarHBondContact O-CB 3.45Å; Q161-H165 PolarHBondContact O-N 2.76Å; Q161-W177 HydrophobicContact CB-CZ3 4.23Å; Q161-P179 HydrophobicContact CB-CG 4.26Å; Q161-P179 HydrophobicContact CG-CG 4.41Å
162A98.8Very high98.1Very high10 Ų1051.2 Ų51.28%0.08327%0.27CS..Hα-helixtrans-63.8-49.4177.400000111.1R158 L159 V160 Q164 H165 T166 C173 W177R158-A162 WeakPolarHBondContact O-CB 3.3Å; R158-A162 PolarHBondContact O-N 3.23Å; L159-A162 PolarHBondContact O-N 2.82Å; V160-A162 VanDerWaalsContact C-N 3.32Å; V160-A162 PolarHBondContact O-N 2.91Å; A162-Q164 PolarHBondContact O-N 3.39Å; A162-H165 WeakPolarHBondContact O-CB 3.49Å; A162-H165 PolarHBondContact O-N 2.86Å; A162-H165 VanDerWaalsContact O-N 3.16Å; A162-T166 WeakPolarHBondContact O-CG2 3.25Å; A162-T166 PolarHBondContact O-N 3.39Å; A162-T166 PolarHBondContact O-OG1 3.25Å; A162-C173 HydrophobicContact CB-CB 4.35Å; A162-W177 VanDerWaalsContact CA-CZ3 3.44Å; A162-W177 HydrophobicContact CB-CE3 3.73Å; A162-W177 HydrophobicContact CB-CZ3 3.86Å
163F98.7Very high98.1Very high45 Ų4550.1 Ų50.120%0.19726%0.262CS..Hα-helixtrans-61.2-43.7178.1-76.3-64.9000112.1Y38 V132 R140 Q141 L159 V160 H165 T166 D167Y38-F163 HydrophobicContact CE1-CB 3.85Å; Y38-F163 WeakPolarHBondContact OH-CB 3.29Å; V132-F163 HydrophobicContact CG1-CD2 4.47Å; R140-F163 HydrophobicContact CB-CD1 3.99Å; R140-F163 HydrophobicContact CB-CD2 4.1Å; R140-F163 HydrophobicContact CB-CE1 3.86Å; R140-F163 HydrophobicContact CB-CE2 4.01Å; R140-F163 HydrophobicContact CB-CG 4.1Å; R140-F163 HydrophobicContact CB-CZ 3.88Å; R140-F163 HydrophobicContact CG-CD1 4.48Å; R140-F163 VanDerWaalsContact O-CZ 3.27Å; R140-F163 WeakPolarHBondContact O-CZ 3.24Å; Q141-F163 HydrophobicContact CB-CE2 3.78Å; Q141-F163 HydrophobicContact CB-CZ 4.23Å; Q141-F163 HydrophobicContact CG-CE2 4.19Å; L159-F163 WeakPolarHBondContact O-CD2 3.47Å; L159-F163 PolarHBondContact O-N 3.07Å; V160-F163 PolarHBondContact O-N 3.32Å; F163-H165 VanDerWaalsContact C-N 3.29Å; F163-H165 PolarHBondContact O-N 2.99Å; F163-T166 PolarHBondContact O-N 3.02Å; F163-T166 PolarHBondContact O-OG1 2.96Å; F163-D167 WeakPolarHBondContact O-CB 3.45Å; F163-D167 VanDerWaalsContact O-CG 3.3Å; F163-D167 PolarHBondContact O-N 3.33Å
164Q98.4Very high98Very high46 Ų4651 Ų5122%0.21527%0.268CS..Hα-helixtrans-61-37.7175.2-72.3179.8-8.500113Y38 I69 V160 A162 K168Y38-Q164 HydrophobicContact CD2-CG 3.9Å; Y38-Q164 HydrophobicContact CE1-CG 4.38Å; Y38-Q164 HydrophobicContact CE2-CG 3.66Å; Y38-Q164 HydrophobicContact CG-CG 4.36Å; I69-Q164 PolarHBondContact O-NE2 3.37Å; I69-Q164 PolarHBondContact O-OE1 3.14Å; V160-Q164 HydrophobicContact CG1-CG 4.48Å; V160-Q164 WeakPolarHBondContact O-CG 3.48Å; V160-Q164 PolarHBondContact O-N 3.48Å; A162-Q164 PolarHBondContact O-N 3.39Å; Q164-K168 WeakPolarHBondContact O-CB 3.46Å; Q164-K168 PolarHBondContact O-N 2.95Å; Q164-K168 VanDerWaalsContact O-N 3.09Å
165H98.3Very high98Very high45 Ų4551.3 Ų51.321%0.20829%0.285CS..Hα-helixtrans-63.5-49.5174.7-171.794.3000110.9Q161 A162 F163 D167 K168 H169 E171 W177Q161-H165 WeakPolarHBondContact O-CB 3.45Å; Q161-H165 PolarHBondContact O-N 2.76Å; A162-H165 WeakPolarHBondContact O-CB 3.49Å; A162-H165 PolarHBondContact O-N 2.86Å; A162-H165 VanDerWaalsContact O-N 3.16Å; F163-H165 VanDerWaalsContact C-N 3.29Å; F163-H165 PolarHBondContact O-N 2.99Å; H165-D167 VanDerWaalsContact C-N 3.33Å; H165-D167 PolarHBondContact O-N 3.22Å; H165-K168 PolarHBondContact O-N 2.98Å; H165-H169 AromaticContact CD2-CD2 3.91Å; H165-H169 AromaticContact CE1-CD2 3.43Å; H165-H169 PolarHBondContact CE1-CD2 3.17Å; H165-H169 VanDerWaalsContact CE1-CD2 3.43Å; H165-H169 AromaticContact CE1-NE2 3.92Å; H165-H169 AromaticContact CG-CD2 3.87Å; H165-H169 AromaticContact ND1-CD2 3.57Å; H165-H169 AromaticContact NE2-CD2 3.63Å; H165-H169 AromaticContact NE2-CG 3.99Å; H165-H169 WeakPolarHBondContact O-CB 3.47Å; H165-H169 PolarHBondContact O-CD2 2.76Å; H165-H169 PolarHBondContact O-N 2.9Å; H165-E171 IonicContact NE2-OE2 3.96Å; H165-W177 HydrophobicContact CB-CH2 3.8Å; H165-W177 HydrophobicContact CB-CZ2 4.03Å; H165-W177 AromaticContact CG-CZ2 3.75Å; H165-W177 AromaticContact ND1-CZ2 3.75Å
166T98.1Very high97.8Very high31 Ų3150.3 Ų50.319%0.1930%0.296CS..Hα-helixtrans-62.5-39.1179.1610000112.5A162 F163 K168 G170 E171A162-T166 WeakPolarHBondContact O-CG2 3.25Å; A162-T166 PolarHBondContact O-N 3.39Å; A162-T166 PolarHBondContact O-OG1 3.25Å; F163-T166 PolarHBondContact O-N 3.02Å; F163-T166 PolarHBondContact O-OG1 2.96Å; T166-K168 VanDerWaalsContact C-N 3.32Å; T166-K168 PolarHBondContact O-N 2.91Å; T166-G170 WeakPolarHBondContact O-CA 3.21Å; T166-G170 PolarHBondContact O-N 3.44Å; T166-E171 WeakPolarHBondContact CB-O 3.39Å; T166-E171 VanDerWaalsContact CG2-O 3.25Å; T166-E171 WeakPolarHBondContact CG2-O 3.37Å
167D97.3Very high97.8Very high78 Ų7850.4 Ų50.442%0.41730%0.295SS..Hα-helixtrans-65-36.6177.5-74.80.4000111.9Y38 R140 F163 H165Y38-D167 PolarHBondContact OH-OD2 2.91Å; R140-D167 IonicContact CZ-OD1 3.45Å; R140-D167 IonicContact NH1-OD1 3.35Å; R140-D167 PolarHBondContact NH1-OD1 2.95Å; R140-D167 IonicContact NH1-OD2 3.78Å; R140-D167 PolarHBondContact NH1-OD2 3.48Å; R140-D167 IonicContact NH2-OD1 2.71Å; R140-D167 PolarHBondContact NH2-OD1 3.16Å; F163-D167 WeakPolarHBondContact O-CB 3.45Å; F163-D167 VanDerWaalsContact O-CG 3.3Å; F163-D167 PolarHBondContact O-N 3.33Å; H165-D167 VanDerWaalsContact C-N 3.33Å; H165-D167 PolarHBondContact O-N 3.22Å
168K96.9Very high97.8Very high169 Ų16955.9 Ų55.974%0.73532%0.319SS*.Hα-helixtrans-80.3-38-178-176.6176.6177.6-176.10113.2Q164 H165 T166Q164-K168 WeakPolarHBondContact O-CB 3.46Å; Q164-K168 PolarHBondContact O-N 2.95Å; Q164-K168 VanDerWaalsContact O-N 3.09Å; H165-K168 PolarHBondContact O-N 2.98Å; T166-K168 VanDerWaalsContact C-N 3.32Å; T166-K168 PolarHBondContact O-N 2.91Å
169H97.3Very high97.7Very high98 Ų9857.7 Ų57.745%0.45434%0.335SS..Hα-helixtrans-107.4-19.2-168.2-65.6-74.4000114H165 E171H165-H169 AromaticContact CD2-CD2 3.91Å; H165-H169 AromaticContact CE1-CD2 3.43Å; H165-H169 PolarHBondContact CE1-CD2 3.17Å; H165-H169 VanDerWaalsContact CE1-CD2 3.43Å; H165-H169 AromaticContact CE1-NE2 3.92Å; H165-H169 AromaticContact CG-CD2 3.87Å; H165-H169 AromaticContact ND1-CD2 3.57Å; H165-H169 AromaticContact NE2-CD2 3.63Å; H165-H169 AromaticContact NE2-CG 3.99Å; H165-H169 WeakPolarHBondContact O-CB 3.47Å; H165-H169 PolarHBondContact O-CD2 2.76Å; H165-H169 PolarHBondContact O-N 2.9Å; H169-E171 HydrophobicContact CB-CG 4.39Å; H169-E171 PolarHBondContact O-N 2.89Å
170G95.6Very high97.6Very high52 Ų5260.5 Ų60.554%0.53637%0.37SS..SBendtrans69.97.1-17500000114.2T166 P186T166-G170 WeakPolarHBondContact O-CA 3.21Å; T166-G170 PolarHBondContact O-N 3.44Å; G170-P186 WeakPolarHBondContact O-CD 3.46Å; G170-P186 WeakPolarHBondContact O-CG 3.4Å
171E96.1Very high97.5Very high54 Ų5463.1 Ų63.125%0.25239%0.389SS..  trans-87.6169.9170.9-62.8-179.9172.400110.5H165 T166 H169 T183 I185H165-E171 IonicContact NE2-OE2 3.96Å; T166-E171 WeakPolarHBondContact CB-O 3.39Å; T166-E171 VanDerWaalsContact CG2-O 3.25Å; T166-E171 WeakPolarHBondContact CG2-O 3.37Å; H169-E171 HydrophobicContact CB-CG 4.39Å; H169-E171 PolarHBondContact O-N 2.89Å; E171-T183 VanDerWaalsContact OE2-CB 3.26Å; E171-T183 WeakPolarHBondContact OE2-CB 3.38Å; E171-T183 PolarHBondContact OE2-OG1 2.78Å; E171-I185 HydrophobicContact CG-CG1 4.2Å
172V96.9Very high97.4Very high62 Ų6264.7 Ų64.738%0.37640%0.398SS..BIsolated β-bridgetrans-115.1144175.4-56.10000111.8I184 P186V172-I184 HydrophobicContact CG2-CB 3.73Å; V172-I184 HydrophobicContact CG2-CG2 4.32Å; V172-I184 WeakPolarHBondContact CG2-O 3.25Å; V172-I184 PolarHBondContact N-O 2.79Å; V172-I184 PolarHBondContact O-N 2.9Å; V172-P186 HydrophobicContact CG1-CB 4.15Å; V172-P186 HydrophobicContact CG1-CG 4.32Å
173C98.1Very high97.4Very high35 Ų3565.6 Ų65.624%0.23640%0.403CS..PPolyproline II helixtrans-89.4123.6-179.6-66.10000111.1A162 W177A162-C173 HydrophobicContact CB-CB 4.35Å; C173-W177 HydrophobicContact CB-CB 3.8Å; C173-W177 HydrophobicContact CB-CD2 3.98Å; C173-W177 HydrophobicContact CB-CE3 4.4Å; C173-W177 HydrophobicContact CB-CG 3.7Å
174P97.6Very high97.3Very high31 Ų3164.7 Ų64.720%0.20140%0.4CS..PPolyproline II helixtrans-64.3173.6174-22.232.8000114.3G176 W177 D182 I184 F194P174-G176 PolarHBondContact O-N 2.88Å; P174-W177 VanDerWaalsContact O-CB 3.24Å; P174-W177 WeakPolarHBondContact O-CB 3.46Å; P174-W177 PolarHBondContact O-N 2.69Å; P174-W177 VanDerWaalsContact O-N 3.14Å; P174-D182 WeakPolarHBondContact CD-O 3.38Å; P174-I184 HydrophobicContact CG-CD1 3.95Å; P174-I184 HydrophobicContact CG-CG1 4.08Å; P174-F194 HydrophobicContact CB-CZ 3.98Å; P174-F194 HydrophobicContact CG-CE1 4.32Å; P174-F194 HydrophobicContact CG-CE2 3.59Å; P174-F194 HydrophobicContact CG-CZ 3.43Å; P174-F194 VanDerWaalsContact CG-CZ 3.43Å
175A97.6Very high97.3Very high107 Ų10765.8 Ų65.888%0.88441%0.407SS*.THydrogen-bonded Turntrans-56.5131.1173.900000111.4W177A175-W177 PolarHBondContact O-N 3.46Å
176G95.9Very high97.2Very high57 Ų5767.9 Ų67.959%0.58842%0.424SS*.THydrogen-bonded Turntrans69.910.2179.900000115.3P174 K178P174-G176 PolarHBondContact O-N 2.88Å; G176-K178 PolarHBondContact O-N 3.37Å
177W98.5Very high97.1Very high9 Ų969.9 Ų69.93%0.03443%0.434CS..  trans-51.6137.5179.9178.594.3000112.3R158 Q161 A162 H165 C173 P174 A175 P179 S181R158-W177 WeakPolarHBondContact CD-O 3.45Å; R158-W177 VanDerWaalsContact CG-O 3.25Å; R158-W177 WeakPolarHBondContact CG-O 3.12Å; R158-W177 PolarHBondContact NH1-O 2.96Å; Q161-W177 HydrophobicContact CB-CZ3 4.23Å; A162-W177 VanDerWaalsContact CA-CZ3 3.44Å; A162-W177 HydrophobicContact CB-CE3 3.73Å; A162-W177 HydrophobicContact CB-CZ3 3.86Å; H165-W177 HydrophobicContact CB-CH2 3.8Å; H165-W177 HydrophobicContact CB-CZ2 4.03Å; H165-W177 AromaticContact CG-CZ2 3.75Å; H165-W177 AromaticContact ND1-CZ2 3.75Å; C173-W177 HydrophobicContact CB-CB 3.8Å; C173-W177 HydrophobicContact CB-CD2 3.98Å; C173-W177 HydrophobicContact CB-CE3 4.4Å; C173-W177 HydrophobicContact CB-CG 3.7Å; P174-W177 VanDerWaalsContact O-CB 3.24Å; P174-W177 WeakPolarHBondContact O-CB 3.46Å; P174-W177 PolarHBondContact O-N 2.69Å; P174-W177 VanDerWaalsContact O-N 3.14Å; A175-W177 PolarHBondContact O-N 3.46Å; W177-P179 HydrophobicContact CH2-CG 4.34Å; W177-P179 HydrophobicContact CZ3-CG 4.44Å; W177-S181 PolarHBondContact NE1-O 3.46Å; W177-S181 VanDerWaalsContact NE1-O 3.1Å
178K97.9Very high97.1Very high131 Ų13171.4 Ų71.457%0.5745%0.446SS*.  trans-129.3159.2172.4-68.3-177.3-179.2-178.60109.5R158 G176 G180 S181R158-K178 HydrophobicContact CG-CG 4.31Å; G176-K178 PolarHBondContact O-N 3.37Å; K178-G180 PolarHBondContact O-N 3.26Å; K178-S181 PolarHBondContact N-OG 3.48Å; K178-S181 WeakPolarHBondContact O-CB 3.43Å; K178-S181 PolarHBondContact O-N 2.93Å; K178-S181 PolarHBondContact O-OG 3.35Å
179P97.6Very high97.1Very high77 Ų7769 Ų6950%0.544%0.437SS..THydrogen-bonded Turntrans-47.6128.9174.3-28.535.1000112.4Q161 W177Q161-P179 HydrophobicContact CB-CG 4.26Å; Q161-P179 HydrophobicContact CG-CG 4.41Å; W177-P179 HydrophobicContact CH2-CG 4.34Å; W177-P179 HydrophobicContact CZ3-CG 4.44Å
180G96.4Very high97.1Very high84 Ų8470.6 Ų70.687%0.86644%0.443SS*.THydrogen-bonded Turntrans88.2-6-176.400000115.6K178K178-G180 PolarHBondContact O-N 3.26Å
181S97.3Very high97.1Very high56 Ų5669 Ų6939%0.39242%0.423SS..SBendtrans-77.8152.9173-530000111.6W177 K178W177-S181 PolarHBondContact NE1-O 3.46Å; W177-S181 VanDerWaalsContact NE1-O 3.1Å; K178-S181 PolarHBondContact N-OG 3.48Å; K178-S181 WeakPolarHBondContact O-CB 3.43Å; K178-S181 PolarHBondContact O-N 2.93Å; K178-S181 PolarHBondContact O-OG 3.35Å
182D97.1Very high97.2Very high81 Ų8171.9 Ų71.943%0.43344%0.435SS..  trans-58.8145.9174.4-82.215.8000112P174 F194 K197P174-D182 WeakPolarHBondContact CD-O 3.38Å; D182-F194 HydrophobicContact CB-CD2 3.92Å; D182-F194 HydrophobicContact CB-CE2 3.77Å; D182-K197 WeakPolarHBondContact OD2-CD 3.3Å; D182-K197 IonicContact OD2-NZ 2.94Å; D182-K197 PolarHBondContact OD2-NZ 3.18Å
183T97.8Very high97.1Very high30 Ų3071.9 Ų71.918%0.18444%0.442CS..  trans-122.1169.8-178.644.40000111.1E171 F194E171-T183 VanDerWaalsContact OE2-CB 3.26Å; E171-T183 WeakPolarHBondContact OE2-CB 3.38Å; E171-T183 PolarHBondContact OE2-OG1 2.78Å; T183-F194 VanDerWaalsContact O-CD2 3.24Å; T183-F194 WeakPolarHBondContact O-CD2 3.37Å
184I97.7Very high97.1Very high25 Ų2571.2 Ų71.213%0.12844%0.435CS..BIsolated β-bridgetrans-116.7128.8-179.8-55.4161.5000109.1V172 P174 P186 F194 F195V172-I184 HydrophobicContact CG2-CB 3.73Å; V172-I184 HydrophobicContact CG2-CG2 4.32Å; V172-I184 WeakPolarHBondContact CG2-O 3.25Å; V172-I184 PolarHBondContact N-O 2.79Å; V172-I184 PolarHBondContact O-N 2.9Å; P174-I184 HydrophobicContact CG-CD1 3.95Å; P174-I184 HydrophobicContact CG-CG1 4.08Å; I184-P186 WeakPolarHBondContact O-CD 3.14Å; I184-F194 HydrophobicContact CD1-CD1 3.87Å; I184-F194 HydrophobicContact CD1-CE1 3.85Å; I184-F194 HydrophobicContact CD1-CG 4.33Å; I184-F194 HydrophobicContact CD1-CZ 4.28Å; I184-F194 HydrophobicContact CG1-CB 3.96Å; I184-F194 HydrophobicContact CG1-CD1 3.53Å; I184-F194 HydrophobicContact CG1-CD2 3.8Å; I184-F194 HydrophobicContact CG1-CE1 3.88Å; I184-F194 HydrophobicContact CG1-CE2 4.12Å; I184-F194 HydrophobicContact CG1-CG 3.48Å; I184-F194 VanDerWaalsContact CG1-CG 3.48Å; I184-F194 HydrophobicContact CG1-CZ 4.15Å; I184-F195 HydrophobicContact CD1-CZ 4.47Å
185I97.2Very high97Very high69 Ų6975.6 Ų75.635%0.35445%0.451SS..  trans-75122.5166.4-59.9171.6000107.5E171 D187 K190 S191E171-I185 HydrophobicContact CG-CG1 4.2Å; I185-D187 HydrophobicContact CG2-CB 4.3Å; I185-D187 PolarHBondContact O-N 3.17Å; I185-K190 HydrophobicContact CB-CB 3.87Å; I185-K190 HydrophobicContact CD1-CB 4.12Å; I185-K190 HydrophobicContact CD1-CD 4.31Å; I185-K190 HydrophobicContact CG2-CB 3.79Å; I185-K190 HydrophobicContact CG2-CD 3.75Å; I185-K190 HydrophobicContact CG2-CG 4.44Å; I185-S191 WeakPolarHBondContact O-CB 3.26Å
186P95.6Very high96.9Very high89 Ų8975.1 Ų75.158%0.57844%0.441SS*.SBendtrans-76.760.9-174.532.6-37.2000112.2G170 V172 I184G170-P186 WeakPolarHBondContact O-CD 3.46Å; G170-P186 WeakPolarHBondContact O-CG 3.4Å; V172-P186 HydrophobicContact CG1-CB 4.15Å; V172-P186 HydrophobicContact CG1-CG 4.32Å; I184-P186 WeakPolarHBondContact O-CD 3.14Å
187D97.7Very high96.7Very high73 Ų7379 Ų7939%0.3944%0.441SS..SBendtrans-139.9142176.4168.6-94000109.5I185 Q189 K190 S191I185-D187 HydrophobicContact CG2-CB 4.3Å; I185-D187 PolarHBondContact O-N 3.17Å; D187-Q189 VanDerWaalsContact C-N 3.28Å; D187-Q189 PolarHBondContact O-N 3.02Å; D187-Q189 PolarHBondContact OD1-N 2.91Å; D187-K190 HydrophobicContact CB-CB 4.14Å; D187-K190 HydrophobicContact CB-CD 4.34Å; D187-K190 HydrophobicContact CB-CG 4.38Å; D187-K190 PolarHBondContact O-N 3.46Å; D187-K190 WeakPolarHBondContact OD1-CG 3.49Å; D187-K190 PolarHBondContact OD1-N 3.1Å; D187-S191 WeakPolarHBondContact O-CB 3.41Å; D187-S191 PolarHBondContact O-N 2.52Å; D187-S191 PolarHBondContact O-OG 3.36Å
188V96.4Very high95.8Very high111 Ų11187.2 Ų87.267%0.67348%0.48SS*.THydrogen-bonded Turntrans-61.2-35.3-172.3177.30000112.5S191V188-S191 PolarHBondContact O-OG 3.3Å
189Q97.1Very high95.7Very high119 Ų11985 Ų8556%0.55648%0.476SS*.THydrogen-bonded Turntrans-87.5-44-179.7-61-55.6-32.300111.5D187 S191 K192D187-Q189 VanDerWaalsContact C-N 3.28Å; D187-Q189 PolarHBondContact O-N 3.02Å; D187-Q189 PolarHBondContact OD1-N 2.91Å; Q189-S191 PolarHBondContact O-N 3.26Å; Q189-K192 WeakPolarHBondContact O-CB 3.49Å; Q189-K192 PolarHBondContact O-N 3.33Å
190K96.6Very high95.6Very high130 Ų13085.4 Ų85.457%0.56548%0.475SS*.THydrogen-bonded Turntrans-70.5-31-176.7-63.7177.8-179.1177.30112.9I185 D187 K192 A193I185-K190 HydrophobicContact CB-CB 3.87Å; I185-K190 HydrophobicContact CD1-CB 4.12Å; I185-K190 HydrophobicContact CD1-CD 4.31Å; I185-K190 HydrophobicContact CG2-CB 3.79Å; I185-K190 HydrophobicContact CG2-CD 3.75Å; I185-K190 HydrophobicContact CG2-CG 4.44Å; D187-K190 HydrophobicContact CB-CB 4.14Å; D187-K190 HydrophobicContact CB-CD 4.34Å; D187-K190 HydrophobicContact CB-CG 4.38Å; D187-K190 PolarHBondContact O-N 3.46Å; D187-K190 WeakPolarHBondContact OD1-CG 3.49Å; D187-K190 PolarHBondContact OD1-N 3.1Å; K190-K192 PolarHBondContact O-N 3.21Å; K190-A193 WeakPolarHBondContact O-CB 3.49Å; K190-A193 PolarHBondContact O-N 3.29Å
191S97.1Very high95.5Very high19 Ų1985.5 Ų85.513%0.13345%0.453CS..THydrogen-bonded Turntrans-61.4-23.8177.258.40000113.6I185 D187 V188 Q189 A193 F194 F195I185-S191 WeakPolarHBondContact O-CB 3.26Å; D187-S191 WeakPolarHBondContact O-CB 3.41Å; D187-S191 PolarHBondContact O-N 2.52Å; D187-S191 PolarHBondContact O-OG 3.36Å; V188-S191 PolarHBondContact O-OG 3.3Å; Q189-S191 PolarHBondContact O-N 3.26Å; S191-A193 PolarHBondContact O-N 3.43Å; S191-A193 VanDerWaalsContact O-N 3.17Å; S191-F194 WeakPolarHBondContact O-CB 3.42Å; S191-F194 PolarHBondContact O-N 3.24Å; S191-F195 VanDerWaalsContact O-CD2 3.25Å; S191-F195 WeakPolarHBondContact O-CD2 3.2Å; S191-F195 PolarHBondContact O-N 2.91Å
192K96.8Very high95.4Very high114 Ų11487.2 Ų87.250%0.49646%0.456SS..Hα-helixtrans-57.9-29.7176.8-66177.4177.6172.40113.1Q189 K190 F194 F195 S196Q189-K192 WeakPolarHBondContact O-CB 3.49Å; Q189-K192 PolarHBondContact O-N 3.33Å; K190-K192 PolarHBondContact O-N 3.21Å; K192-F194 PolarHBondContact O-N 3.17Å; K192-F195 PolarHBondContact O-N 2.94Å; K192-S196 WeakPolarHBondContact O-CB 3.42Å; K192-S196 PolarHBondContact O-N 3.29Å; K192-S196 PolarHBondContact O-OG 3.33Å
193A96.4Very high95.3Very high62 Ų6287.6 Ų87.651%0.51246%0.458SS..Hα-helixtrans-64.2-27.6177.500000113.1K190 S191 K197K190-A193 WeakPolarHBondContact O-CB 3.49Å; K190-A193 PolarHBondContact O-N 3.29Å; S191-A193 PolarHBondContact O-N 3.43Å; S191-A193 VanDerWaalsContact O-N 3.17Å; A193-K197 WeakPolarHBondContact O-CD 3.24Å; A193-K197 WeakPolarHBondContact O-CG 3.49Å
194F96.5Very high95.1Very high21 Ų2191.5 Ų91.59%0.09248%0.476CS..Hα-helixtrans-79.2-50.3171.6176.5-91.1000110.7P174 D182 T183 I184 S191 K192 S196 K197 Q198P174-F194 HydrophobicContact CB-CZ 3.98Å; P174-F194 HydrophobicContact CG-CE1 4.32Å; P174-F194 HydrophobicContact CG-CE2 3.59Å; P174-F194 HydrophobicContact CG-CZ 3.43Å; P174-F194 VanDerWaalsContact CG-CZ 3.43Å; D182-F194 HydrophobicContact CB-CD2 3.92Å; D182-F194 HydrophobicContact CB-CE2 3.77Å; T183-F194 VanDerWaalsContact O-CD2 3.24Å; T183-F194 WeakPolarHBondContact O-CD2 3.37Å; I184-F194 HydrophobicContact CD1-CD1 3.87Å; I184-F194 HydrophobicContact CD1-CE1 3.85Å; I184-F194 HydrophobicContact CD1-CG 4.33Å; I184-F194 HydrophobicContact CD1-CZ 4.28Å; I184-F194 HydrophobicContact CG1-CB 3.96Å; I184-F194 HydrophobicContact CG1-CD1 3.53Å; I184-F194 HydrophobicContact CG1-CD2 3.8Å; I184-F194 HydrophobicContact CG1-CE1 3.88Å; I184-F194 HydrophobicContact CG1-CE2 4.12Å; I184-F194 HydrophobicContact CG1-CG 3.48Å; I184-F194 VanDerWaalsContact CG1-CG 3.48Å; I184-F194 HydrophobicContact CG1-CZ 4.15Å; S191-F194 WeakPolarHBondContact O-CB 3.42Å; S191-F194 PolarHBondContact O-N 3.24Å; K192-F194 PolarHBondContact O-N 3.17Å; F194-S196 VanDerWaalsContact C-N 3.29Å; F194-S196 PolarHBondContact O-N 2.88Å; F194-K197 PolarHBondContact O-N 3.11Å; F194-K197 VanDerWaalsContact O-N 3.11Å; F194-Q198 HydrophobicContact CE1-CG 4.2Å
195F95.8Very high95Very high124 Ų12496.2 Ų96.254%0.54450%0.501SS..Hα-helixtrans-66-27.1-174.4-67.6-63000114I184 S191 K192 K197I184-F195 HydrophobicContact CD1-CZ 4.47Å; S191-F195 VanDerWaalsContact O-CD2 3.25Å; S191-F195 WeakPolarHBondContact O-CD2 3.2Å; S191-F195 PolarHBondContact O-N 2.91Å; K192-F195 PolarHBondContact O-N 2.94Å; F195-K197 PolarHBondContact O-N 2.94Å
196S95.9Very high94.8Very high96 Ų9698.3 Ų98.367%0.67151%0.512SS*.THydrogen-bonded Turntrans-74.3-8.8176.165.10000114.4K192 F194K192-S196 WeakPolarHBondContact O-CB 3.42Å; K192-S196 PolarHBondContact O-N 3.29Å; K192-S196 PolarHBondContact O-OG 3.33Å; F194-S196 VanDerWaalsContact C-N 3.29Å; F194-S196 PolarHBondContact O-N 2.88Å
197K92.1Very high94.7Very high138 Ų13899.1 Ų99.160%0.651%0.507SS*.THydrogen-bonded Turntrans-98.3-11.6-179.9-64.5175.5178.41800113.7D182 A193 F194 F195D182-K197 WeakPolarHBondContact OD2-CD 3.3Å; D182-K197 IonicContact OD2-NZ 2.94Å; D182-K197 PolarHBondContact OD2-NZ 3.18Å; A193-K197 WeakPolarHBondContact O-CD 3.24Å; A193-K197 WeakPolarHBondContact O-CG 3.49Å; F194-K197 PolarHBondContact O-N 3.11Å; F194-K197 VanDerWaalsContact O-N 3.11Å; F195-K197 PolarHBondContact O-N 2.94Å
198Q78.4Confident94.4Very high182 Ų182101.5 Ų101.585%0.8552%0.518SS*.  trans-79.60177.9-60.1-64.2-20.800110.1F194F194-Q198 HydrophobicContact CE1-CG 4.2Å

Retrieved 198 of 198 residues in 507.2 ms (Link to these results)

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