A0A077Z1Z6_TRITR Loading...

28S ribosomal protein S24, mitochondrial

AlphaFold DB , UniProt , Accession A0A077Z1Z6, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 129 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
1M47.5Very low71.4Confident220 Ų220109.5 Ų109.5100%1.08457%0.572SS**  0103.80-76.3172.7175.900106.7C3M1-C3 PolarHBondContact O-N 3.09Å
2N44.8Very low73.3Confident171 Ų171107.8 Ų107.891%0.91455%0.553SS**  trans-76.4107.8-179.9-72.6-10.7000107.7
3C54.4Low74.8Confident58 Ų58102.8 Ų102.839%0.39253%0.526SS..  trans-100.1121.2168.4-122.70000106.9M1 C7 Y128M1-C3 PolarHBondContact O-N 3.09Å; C3-C7 HydrophobicContact CB-CB 3.46Å; C3-C7 VanDerWaalsContact CB-CB 3.46Å; C3-C7 WeakPolarHBondContact CB-SG 3.26Å; C3-C7 WeakPolarHBondContact SG-CB 3.48Å; C3-C7 CovalentContact SG-SG 2.02Å; C3-C7 PolarHBondContact SG-SG 3.47Å; C3-Y128 HydrophobicContact CB-CD1 4.15Å; C3-Y128 HydrophobicContact CB-CG 4.35Å; C3-Y128 VanDerWaalsContact SG-CB 3.53Å
4D56.4Low76.2Confident127 Ų127103 Ų10368%0.67953%0.525SS*.  trans-62166.4171.6-68.5-36000110.2S6 C7D4-S6 PolarHBondContact O-N 2.72Å; D4-C7 PolarHBondContact O-N 2.82Å; D4-C7 VanDerWaalsContact O-N 3.09Å
5W57.9Low77.3Confident267 Ų26798.2 Ų98.2100%1.01151%0.507SS*.THydrogen-bonded Turntrans-52.1-7.2-171.4-60.797.4000116.7
6S75.6Confident78.4Confident94 Ų9493.7 Ų93.766%0.65748%0.483SS*.THydrogen-bonded Turntrans-87.6-16.917954.30000115D4D4-S6 PolarHBondContact O-N 2.72Å
7C82.1Confident79.4Confident34 Ų3496.9 Ų96.923%0.2349%0.493CS..PPolyproline II helixtrans-81.3128.8-169.4-58.70000113.9C3 D4 P9 Y128 I129C3-C7 HydrophobicContact CB-CB 3.46Å; C3-C7 VanDerWaalsContact CB-CB 3.46Å; C3-C7 WeakPolarHBondContact CB-SG 3.26Å; C3-C7 WeakPolarHBondContact SG-CB 3.48Å; C3-C7 CovalentContact SG-SG 2.02Å; C3-C7 PolarHBondContact SG-SG 3.47Å; D4-C7 PolarHBondContact O-N 2.82Å; D4-C7 VanDerWaalsContact O-N 3.09Å; C7-P9 WeakPolarHBondContact O-CD 3.02Å; C7-Y128 HydrophobicContact CB-CD1 4.03Å; C7-I129 CarbonylContact C-O 3.49Å; C7-I129 VanDerWaalsContact CA-O 3.26Å; C7-I129 WeakPolarHBondContact CA-O 3.26Å
8L87.3Confident80.3Confident119 Ų11997.5 Ų97.562%0.62350%0.504SS*.PPolyproline II helixtrans-88.6120.5172.6-74.196.6000110.9L10 I129L8-L10 PolarHBondContact O-N 3.21Å; L8-I129 PolarHBondContact N-O 3.12Å; L8-I129 PolarHBondContact O-N 2.02Å
9P92.3Very high81.2Confident68 Ų6897.8 Ų97.844%0.44251%0.507SS..EExtended strand (participates in β ladder)trans-76.4122.5176.229.1-32.1000111.1C7 V125 Y128C7-P9 WeakPolarHBondContact O-CD 3.02Å; P9-V125 HydrophobicContact CB-CB 4.38Å; P9-V125 HydrophobicContact CB-CG1 3.71Å; P9-V125 HydrophobicContact CB-CG2 3.69Å; P9-Y128 HydrophobicContact CB-CD1 4.15Å; P9-Y128 HydrophobicContact CB-CE1 3.82Å
10L92.6Very high81.9Confident36 Ų3695.1 Ų95.119%0.18849%0.492CS..EExtended strand (participates in β ladder)trans-107.3140.1175.8-63.2-177.7000112L8 M14 A15 F126 K127 I129L8-L10 PolarHBondContact O-N 3.21Å; L10-M14 HydrophobicContact CB-CB 4.4Å; L10-M14 HydrophobicContact CD2-CB 4.16Å; L10-A15 HydrophobicContact CB-CB 4.33Å; L10-A15 HydrophobicContact CD1-CB 4.45Å; L10-F126 PolarHBondContact O-N 3.27Å; L10-K127 PolarHBondContact N-O 3.28Å; L10-K127 PolarHBondContact O-N 3.29Å; L10-I129 HydrophobicContact CD1-CD1 3.34Å; L10-I129 HydrophobicContact CD1-CG1 3.82Å; L10-I129 HydrophobicContact CG-CD1 4.47Å
11T94.1Very high82.6Confident11 Ų1194.3 Ų94.37%0.06749%0.487CS..EExtended strand (participates in β ladder)trans-73.9163.4166.166.90000110.1E13 M14 A15 I124T11-E13 VanDerWaalsContact C-N 3.25Å; T11-E13 PolarHBondContact O-N 3.14Å; T11-M14 HydrophobicContact CG2-SD 4.37Å; T11-M14 PolarHBondContact O-N 3.08Å; T11-M14 VanDerWaalsContact OG1-CG 3.26Å; T11-M14 WeakPolarHBondContact OG1-CG 3.22Å; T11-M14 PolarHBondContact OG1-N 2.96Å; T11-A15 WeakPolarHBondContact O-CB 2.84Å; T11-A15 PolarHBondContact O-N 2.9Å; T11-I124 HydrophobicContact CG2-CG2 3.93Å
12Y94.6Very high84.8Confident89 Ų8986.3 Ų86.335%0.34946%0.462SS..Hα-helixtrans-53.4-46.1176.2179.2-98.4000111.9M14 A15 Q16 R24 F126Y12-M14 PolarHBondContact O-N 2.81Å; Y12-A15 PolarHBondContact O-N 2.92Å; Y12-Q16 HydrophobicContact CE1-CG 4.27Å; Y12-Q16 WeakPolarHBondContact O-CG 3.45Å; Y12-Q16 PolarHBondContact O-N 3.15Å; Y12-R24 PolarHBondContact OH-O 2.67Å; Y12-F126 HydrophobicContact CD2-CD1 4.2Å; Y12-F126 AromaticContact CD2-CD2 3.88Å; Y12-F126 HydrophobicContact CD2-CD2 3.88Å; Y12-F126 HydrophobicContact CD2-CE1 4.17Å; Y12-F126 AromaticContact CD2-CE2 3.86Å; Y12-F126 HydrophobicContact CD2-CE2 3.86Å; Y12-F126 HydrophobicContact CD2-CG 4.05Å; Y12-F126 HydrophobicContact CD2-CZ 4.01Å; Y12-F126 HydrophobicContact CE2-CE2 4.32Å; Y12-F126 HydrophobicContact CE2-CZ 4.23Å
13E93.5Very high87.3Confident43 Ų4383.9 Ų83.920%0.20145%0.453CS..Hα-helixtrans-63.9-36.3-178.4-72.4-68.412800113.2T11 K25 E67T11-E13 VanDerWaalsContact C-N 3.25Å; T11-E13 PolarHBondContact O-N 3.14Å; E13-K25 PolarHBondContact O-NZ 2.88Å; E13-K25 VanDerWaalsContact OE2-CD 3.22Å; E13-K25 WeakPolarHBondContact OE2-CD 3.5Å; E13-K25 WeakPolarHBondContact OE2-CE 3.49Å; E13-K25 IonicContact OE2-NZ 3.74Å; E13-K25 PolarHBondContact OE2-NZ 3Å; E13-E67 VanDerWaalsContact CB-CD 3.48Å; E13-E67 WeakPolarHBondContact CB-OE1 3.49Å; E13-E67 WeakPolarHBondContact CB-OE2 3.32Å
14M93.3Very high89.2Confident105 Ų10588.5 Ų88.552%0.51746%0.462SS..Hα-helixtrans-76.7-28.2176-67.4175.7-177.800113L10 T11 Y12 Q16 E67L10-M14 HydrophobicContact CB-CB 4.4Å; L10-M14 HydrophobicContact CD2-CB 4.16Å; T11-M14 HydrophobicContact CG2-SD 4.37Å; T11-M14 PolarHBondContact O-N 3.08Å; T11-M14 VanDerWaalsContact OG1-CG 3.26Å; T11-M14 WeakPolarHBondContact OG1-CG 3.22Å; T11-M14 PolarHBondContact OG1-N 2.96Å; Y12-M14 PolarHBondContact O-N 2.81Å; M14-Q16 VanDerWaalsContact C-N 3.33Å; M14-E67 WeakPolarHBondContact CG-OE1 3.47Å
15A93.8Very high91.1Very high31 Ų3184 Ų8426%0.25644%0.436SS..Hα-helixtrans-77-17.7-177.500000113.6L10 T11 Y12 F126L10-A15 HydrophobicContact CB-CB 4.33Å; L10-A15 HydrophobicContact CD1-CB 4.45Å; T11-A15 WeakPolarHBondContact O-CB 2.84Å; T11-A15 PolarHBondContact O-N 2.9Å; Y12-A15 PolarHBondContact O-N 2.92Å; A15-F126 HydrophobicContact CB-CD1 3.82Å; A15-F126 HydrophobicContact CB-CE1 4.37Å
16Q94.6Very high92.8Very high26 Ų2673.6 Ų73.612%0.12141%0.408CS..SBendtrans-89137.1178.1-57.2-51.4-40.500111.6Y12 M14 Q20 R24 K25Y12-Q16 HydrophobicContact CE1-CG 4.27Å; Y12-Q16 WeakPolarHBondContact O-CG 3.45Å; Y12-Q16 PolarHBondContact O-N 3.15Å; M14-Q16 VanDerWaalsContact C-N 3.33Å; Q16-Q20 HydrophobicContact CB-CB 4.44Å; Q16-R24 HydrophobicContact CG-CB 4.45Å; Q16-R24 VanDerWaalsContact OE1-CD 3.24Å; Q16-K25 HydrophobicContact CB-CB 4.09Å; Q16-K25 HydrophobicContact CB-CD 4.13Å; Q16-K25 HydrophobicContact CG-CB 4.14Å
17K95.1Very high93.7Very high148 Ų14876 Ų7664%0.64340%0.402SS*.  trans-77159.4174.9-63.8-177-177.5-179.80111.5D19 Q20K17-D19 VanDerWaalsContact C-N 3.29Å; K17-D19 WeakPolarHBondContact CB-OD1 3.04Å; K17-D19 PolarHBondContact O-N 3.43Å; K17-Q20 HydrophobicContact CB-CG 4.36Å; K17-Q20 WeakPolarHBondContact O-CB 3.4Å; K17-Q20 PolarHBondContact O-N 3.46Å
18P96.1Very high94.4Very high108 Ų10876.5 Ų76.570%0.70140%0.402SS*.G310 helixtrans-60.1-31.9-178.5-2635.6000115.3Q20 I21P18-Q20 PolarHBondContact O-N 3.49Å; P18-I21 WeakPolarHBondContact O-CB 3.33Å; P18-I21 WeakPolarHBondContact O-CD1 3.2Å; P18-I21 VanDerWaalsContact O-CG1 3.29Å; P18-I21 WeakPolarHBondContact O-CG1 3.37Å; P18-I21 PolarHBondContact O-N 2.84Å
19D96.6Very high94.8Very high104 Ų10472.6 Ų72.656%0.55638%0.383SS*.G310 helixtrans-66.8-15.4175.561.4-55.1000113.3K17 I21K17-D19 VanDerWaalsContact C-N 3.29Å; K17-D19 WeakPolarHBondContact CB-OD1 3.04Å; K17-D19 PolarHBondContact O-N 3.43Å; D19-I21 VanDerWaalsContact C-N 3.35Å
20Q96.2Very high94.9Very high43 Ų4375.1 Ų75.120%0.20138%0.384CS..G310 helixtrans-90.31.5179.3-56.9-63.6-53.900113.1Q16 K17 P18 G22 V23 R24 K25Q16-Q20 HydrophobicContact CB-CB 4.44Å; K17-Q20 HydrophobicContact CB-CG 4.36Å; K17-Q20 WeakPolarHBondContact O-CB 3.4Å; K17-Q20 PolarHBondContact O-N 3.46Å; P18-Q20 PolarHBondContact O-N 3.49Å; Q20-G22 PolarHBondContact O-N 2.87Å; Q20-V23 PolarHBondContact O-N 3.48Å; Q20-R24 HydrophobicContact CB-CB 4.26Å; Q20-R24 PolarHBondContact O-N 2.82Å; Q20-K25 PolarHBondContact O-N 3.26Å; Q20-K25 VanDerWaalsContact O-N 3.12Å
21I96.2Very high95Very high78 Ų7875.4 Ų75.440%0.438%0.384SS..BIsolated β-bridgetrans-67.9127.4173.7-62.7170.6000108.9P18 D19 V23 K25P18-I21 WeakPolarHBondContact O-CB 3.33Å; P18-I21 WeakPolarHBondContact O-CD1 3.2Å; P18-I21 VanDerWaalsContact O-CG1 3.29Å; P18-I21 WeakPolarHBondContact O-CG1 3.37Å; P18-I21 PolarHBondContact O-N 2.84Å; D19-I21 VanDerWaalsContact C-N 3.35Å; I21-V23 VanDerWaalsContact C-N 3.34Å; I21-K25 CarbonylContact C-O 3.55Å; I21-K25 WeakPolarHBondContact CA-O 3.39Å
22G94Very high94.9Very high53 Ų5379 Ų7955%0.54641%0.406SS..THydrogen-bonded Turntrans88.8-6.5-173.700000114.5Q20 K25Q20-G22 PolarHBondContact O-N 2.87Å; G22-K25 PolarHBondContact N-O 3.44Å
23V96.2Very high94.6Very high119 Ų11975.2 Ų75.272%0.72139%0.393SS*.THydrogen-bonded Turntrans-116.4-61.6177.3-176.20000110.9Q20 I21Q20-V23 PolarHBondContact O-N 3.48Å; I21-V23 VanDerWaalsContact C-N 3.34Å
24R95.3Very high94.5Very high156 Ų15678.6 Ų78.659%0.58941%0.413SS*.THydrogen-bonded Turntrans-104.4-35.1179-61.9-177.2175.6-179-0.8112.1Y12 Q16 Q20Y12-R24 PolarHBondContact OH-O 2.67Å; Q16-R24 HydrophobicContact CG-CB 4.45Å; Q16-R24 VanDerWaalsContact OE1-CD 3.24Å; Q20-R24 HydrophobicContact CB-CB 4.26Å; Q20-R24 PolarHBondContact O-N 2.82Å
25K94.8Very high94.5Very high31 Ų3178.4 Ų78.414%0.13541%0.413CS..BIsolated β-bridgetrans-115143.7-178.3173.2165.9159.3147.40110.3E13 Q16 Q20 I21 G22E13-K25 PolarHBondContact O-NZ 2.88Å; E13-K25 VanDerWaalsContact OE2-CD 3.22Å; E13-K25 WeakPolarHBondContact OE2-CD 3.5Å; E13-K25 WeakPolarHBondContact OE2-CE 3.49Å; E13-K25 IonicContact OE2-NZ 3.74Å; E13-K25 PolarHBondContact OE2-NZ 3Å; Q16-K25 HydrophobicContact CB-CB 4.09Å; Q16-K25 HydrophobicContact CB-CD 4.13Å; Q16-K25 HydrophobicContact CG-CB 4.14Å; Q20-K25 PolarHBondContact O-N 3.26Å; Q20-K25 VanDerWaalsContact O-N 3.12Å; I21-K25 CarbonylContact C-O 3.55Å; I21-K25 WeakPolarHBondContact CA-O 3.39Å; G22-K25 PolarHBondContact N-O 3.44Å
26A94.9Very high94.1Very high50 Ų5086.3 Ų86.341%0.41345%0.445SS..  trans-96.1-171.8176.800000111.4W30A26-W30 HydrophobicContact CB-CZ2 4.28Å
27W95.1Very high93.5Very high145 Ų14594.3 Ų94.355%0.54948%0.482SS..  trans-86142.8175.5-58.6-87000111.9T29 W30W27-T29 VanDerWaalsContact C-N 3.34Å; W27-W30 AromaticContact CE3-CH2 3.44Å; W27-W30 HydrophobicContact CE3-CH2 3.44Å; W27-W30 VanDerWaalsContact CE3-CH2 3.44Å; W27-W30 AromaticContact CE3-CZ2 3.65Å; W27-W30 HydrophobicContact CE3-CZ2 3.65Å; W27-W30 HydrophobicContact CE3-CZ3 4.01Å; W27-W30 AromaticContact CZ3-CH2 3.72Å; W27-W30 HydrophobicContact CZ3-CH2 3.72Å; W27-W30 HydrophobicContact CZ3-CZ2 4.32Å; W27-W30 HydrophobicContact CZ3-CZ3 4.27Å; W27-W30 PolarHBondContact O-NE1 2.82Å
28L96.2Very high92.8Very high43 Ų4390.9 Ų90.923%0.22547%0.47CS..SBendtrans-83.4-10.8174.7-66.9177000113.3R53 E67 V69 I70L28-R53 PolarHBondContact O-NH2 3.49Å; L28-E67 HydrophobicContact CD1-CB 3.89Å; L28-E67 HydrophobicContact CD1-CG 4.28Å; L28-E67 HydrophobicContact CD2-CB 4.07Å; L28-V69 HydrophobicContact CD2-CG2 4.16Å; L28-V69 WeakPolarHBondContact O-CA 3.24Å; L28-I70 PolarHBondContact O-N 2.98Å
29T95.6Very high91.5Very high37 Ų3787.8 Ų87.823%0.22746%0.458CS..EExtended strand (participates in β ladder)trans-130.6131173.5-176.40000109.7W27 D49 I70W27-T29 VanDerWaalsContact C-N 3.34Å; T29-D49 VanDerWaalsContact CB-OD2 3.31Å; T29-D49 WeakPolarHBondContact CB-OD2 2.91Å; T29-D49 PolarHBondContact OG1-OD2 3.28Å; T29-I70 CarbonylContact C-O 3.58Å; T29-I70 VanDerWaalsContact CA-O 3.32Å; T29-I70 WeakPolarHBondContact CA-O 3.3Å
30W95.1Very high90.3Very high122 Ų12289.9 Ų89.946%0.46247%0.468SS..EExtended strand (participates in β ladder)trans-121.5116.8179.5-69.385000109.2A26 W27 I70 R72A26-W30 HydrophobicContact CB-CZ2 4.28Å; W27-W30 AromaticContact CE3-CH2 3.44Å; W27-W30 HydrophobicContact CE3-CH2 3.44Å; W27-W30 VanDerWaalsContact CE3-CH2 3.44Å; W27-W30 AromaticContact CE3-CZ2 3.65Å; W27-W30 HydrophobicContact CE3-CZ2 3.65Å; W27-W30 HydrophobicContact CE3-CZ3 4.01Å; W27-W30 AromaticContact CZ3-CH2 3.72Å; W27-W30 HydrophobicContact CZ3-CH2 3.72Å; W27-W30 HydrophobicContact CZ3-CZ2 4.32Å; W27-W30 HydrophobicContact CZ3-CZ3 4.27Å; W27-W30 PolarHBondContact O-NE1 2.82Å; W30-I70 PolarHBondContact N-O 3.33Å; W30-R72 PolarHBondContact O-N 3.44Å
31H92.9Very high89.3Confident41 Ų4196.3 Ų96.319%0.1949%0.49CS..  trans-161.2161.4-175.763.5-41.4000109.6S33 N34 A45 R72H31-S33 PolarHBondContact CD2-OG 3.45Å; H31-S33 PolarHBondContact NE2-OG 3.32Å; H31-S33 VanDerWaalsContact NE2-OG 3.13Å; H31-N34 PolarHBondContact CE1-ND2 3.49Å; H31-A45 VanDerWaalsContact CD2-CB 3.47Å; H31-A45 WeakPolarHBondContact CD2-CB 3.46Å; H31-R72 HydrophobicContact CB-CB 4.25Å; H31-R72 HydrophobicContact CB-CG 4.38Å
32T92.2Very high88.7Confident86 Ų8695.1 Ų95.153%0.52849%0.488SS..SBendtrans-91.1-9.6-172.4530000114.4N34 L35 I38T32-N34 VanDerWaalsContact C-N 3.25Å; T32-N34 PolarHBondContact O-N 3.03Å; T32-L35 HydrophobicContact CG2-CD1 4.37Å; T32-L35 WeakPolarHBondContact O-CB 3.3Å; T32-L35 WeakPolarHBondContact O-CG 3.41Å; T32-L35 PolarHBondContact O-N 3.34Å; T32-L35 VanDerWaalsContact O-N 3.14Å; T32-I38 HydrophobicContact CG2-CD1 4.46Å
33S89.6Confident88.5Confident11 Ų1195.7 Ų95.78%0.07749%0.488CS..THydrogen-bonded Turntrans-72.6-13.7-169.556.90000115.3H31H31-S33 PolarHBondContact CD2-OG 3.45Å; H31-S33 PolarHBondContact NE2-OG 3.32Å; H31-S33 VanDerWaalsContact NE2-OG 3.13Å
34N91.1Very high88.2Confident114 Ų11496.1 Ų96.161%0.6148%0.48SS*.THydrogen-bonded Turntrans-93.82.8175.4-66.2-7000112.6H31 T32 S42H31-N34 PolarHBondContact CE1-ND2 3.49Å; T32-N34 VanDerWaalsContact C-N 3.25Å; T32-N34 PolarHBondContact O-N 3.03Å; N34-S42 WeakPolarHBondContact OD1-CB 3.42Å
35L91.8Very high88Confident101 Ų10189 Ų8953%0.52946%0.456SS..SBendtrans-76.6138.9171.2-61.8174.6000109.5T32 E37 I38 G39T32-L35 HydrophobicContact CG2-CD1 4.37Å; T32-L35 WeakPolarHBondContact O-CB 3.3Å; T32-L35 WeakPolarHBondContact O-CG 3.41Å; T32-L35 PolarHBondContact O-N 3.34Å; T32-L35 VanDerWaalsContact O-N 3.14Å; L35-E37 VanDerWaalsContact C-N 3.3Å; L35-E37 PolarHBondContact O-N 3.02Å; L35-I38 HydrophobicContact CD1-CD1 4.15Å; L35-I38 PolarHBondContact O-N 3.47Å; L35-I38 VanDerWaalsContact O-N 3.12Å; L35-G39 PolarHBondContact O-N 3Å; L35-G39 VanDerWaalsContact O-N 3.1Å
36E86.7Confident88Confident197 Ų19790 Ų9092%0.92147%0.47SS*.THydrogen-bonded Turntrans-52.6-44.1-173-173.8173.3-174.100113
37E80.6Confident87.9Confident194 Ų19492.7 Ų92.791%0.90748%0.476SS*.THydrogen-bonded Turntrans-76.5-24.6-176.4-61.1-179.8175.100113.9L35L35-E37 VanDerWaalsContact C-N 3.3Å; L35-E37 PolarHBondContact O-N 3.02Å
38I80.9Confident87.9Confident76 Ų7687.1 Ų87.139%0.3946%0.456SS..THydrogen-bonded Turntrans-94.8-43.4-171.9-65173.2000111.3T32 L35 I40T32-I38 HydrophobicContact CG2-CD1 4.46Å; L35-I38 HydrophobicContact CD1-CD1 4.15Å; L35-I38 PolarHBondContact O-N 3.47Å; L35-I38 VanDerWaalsContact O-N 3.12Å; I38-I40 WeakPolarHBondContact O-CB 3.04Å; I38-I40 VanDerWaalsContact O-CD1 3.26Å; I38-I40 WeakPolarHBondContact O-CD1 3.39Å; I38-I40 WeakPolarHBondContact O-CG1 3.48Å; I38-I40 PolarHBondContact O-N 2.91Å
39G68.5Low87.9Confident43 Ų4385.4 Ų85.444%0.44345%0.447SS..  trans38-11.1165.400000123.3L35 R41L35-G39 PolarHBondContact O-N 3Å; L35-G39 VanDerWaalsContact O-N 3.1Å; G39-R41 PolarHBondContact O-N 3.48Å
40I72.1Confident87.9Confident148 Ų14888 Ų8876%0.75946%0.456SS*.SBendtrans-87.7-15.9-156.9-64.4153000112I38I38-I40 WeakPolarHBondContact O-CB 3.04Å; I38-I40 VanDerWaalsContact O-CD1 3.26Å; I38-I40 WeakPolarHBondContact O-CD1 3.39Å; I38-I40 WeakPolarHBondContact O-CG1 3.48Å; I38-I40 PolarHBondContact O-N 2.91Å
41R76Confident87.9Confident177 Ų17785.2 Ų85.267%0.66845%0.45SS*.  trans-136.520.4-166.4-62.7-174.7178.7160.31.4115.7G39 A43 K44 A45G39-R41 PolarHBondContact O-N 3.48Å; R41-A43 PolarHBondContact O-N 3.25Å; R41-K44 PolarHBondContact O-N 3Å; R41-A45 PolarHBondContact O-N 3.25Å; R41-A45 VanDerWaalsContact O-N 3.13Å
42S82.6Confident88.1Confident53 Ų5383.3 Ų83.337%0.37144%0.441SS..Hα-helixtrans-58.1-47.1-176.956.80000112.7N34 K44 A45 A46N34-S42 WeakPolarHBondContact OD1-CB 3.42Å; S42-K44 PolarHBondContact O-N 2.96Å; S42-A45 PolarHBondContact O-N 3.32Å; S42-A46 PolarHBondContact O-N 3.33Å
43A89.6Confident88.3Confident66 Ų6680.7 Ų80.755%0.54542%0.422SS..Hα-helixtrans-62.2-43179.700000112.9R41 A46 I47R41-A43 PolarHBondContact O-N 3.25Å; A43-A46 PolarHBondContact O-N 3.34Å; A43-I47 VanDerWaalsContact O-CG1 3.31Å; A43-I47 WeakPolarHBondContact O-CG1 3.09Å; A43-I47 PolarHBondContact O-N 3.23Å; A43-I47 VanDerWaalsContact O-N 3.07Å
44K90.9Very high88.6Confident127 Ų12788.8 Ų88.855%0.55245%0.45SS*.Hα-helixtrans-62.5-46.2178.9179.2173.9172.5174.80111.2R41 S42 A46 I47 E48R41-K44 PolarHBondContact O-N 3Å; S42-K44 PolarHBondContact O-N 2.96Å; K44-A46 VanDerWaalsContact C-N 3.34Å; K44-A46 PolarHBondContact O-N 3.38Å; K44-I47 PolarHBondContact O-N 3.32Å; K44-E48 WeakPolarHBondContact CE-OE1 3.26Å; K44-E48 IonicContact NZ-OE1 2.65Å; K44-E48 WeakPolarHBondContact O-CG 3.22Å; K44-E48 PolarHBondContact O-N 3.23Å
45A91.7Very high88.9Confident8 Ų886.5 Ų86.57%0.06644%0.437CS..Hα-helixtrans-64.4-39.1179.900000112.3H31 R41 S42 E48 D49 R72H31-A45 VanDerWaalsContact CD2-CB 3.47Å; H31-A45 WeakPolarHBondContact CD2-CB 3.46Å; R41-A45 PolarHBondContact O-N 3.25Å; R41-A45 VanDerWaalsContact O-N 3.13Å; S42-A45 PolarHBondContact O-N 3.32Å; A45-E48 PolarHBondContact O-N 2.86Å; A45-D49 WeakPolarHBondContact O-CB 3.5Å; A45-D49 VanDerWaalsContact O-CG 3.32Å; A45-D49 PolarHBondContact O-N 3.31Å; A45-R72 PolarHBondContact O-NH2 2.93Å
46A92.8Very high89.1Confident52 Ų5281.7 Ų81.743%0.4341%0.412SS..Hα-helixtrans-63.5-41.8176.100000112.4S42 A43 K44 D49 E50S42-A46 PolarHBondContact O-N 3.33Å; A43-A46 PolarHBondContact O-N 3.34Å; K44-A46 VanDerWaalsContact C-N 3.34Å; K44-A46 PolarHBondContact O-N 3.38Å; A46-D49 PolarHBondContact O-N 3.39Å; A46-E50 PolarHBondContact O-N 3.01Å; A46-E50 VanDerWaalsContact O-N 3.11Å
47I94.7Very high89.5Confident106 Ų10677.2 Ų77.254%0.54439%0.387SS..Hα-helixtrans-64.3-45.9176-67.2165.2000110.7A43 K44 D49 E50 I51A43-I47 VanDerWaalsContact O-CG1 3.31Å; A43-I47 WeakPolarHBondContact O-CG1 3.09Å; A43-I47 PolarHBondContact O-N 3.23Å; A43-I47 VanDerWaalsContact O-N 3.07Å; K44-I47 PolarHBondContact O-N 3.32Å; I47-D49 VanDerWaalsContact C-N 3.32Å; I47-D49 PolarHBondContact O-N 3Å; I47-E50 PolarHBondContact O-N 3.44Å; I47-I51 HydrophobicContact CG2-CD1 3.8Å; I47-I51 HydrophobicContact CG2-CG1 4.49Å; I47-I51 VanDerWaalsContact O-CG1 3.3Å; I47-I51 WeakPolarHBondContact O-CG1 3.47Å; I47-I51 PolarHBondContact O-N 2.89Å
48E94.3Very high90.2Very high27 Ų2770.9 Ų70.913%0.12637%0.373CS..Hα-helixtrans-60.2-42.1177-72.3177.3-177.700111.8K44 A45 E50 I51 V52 R72 L107K44-E48 WeakPolarHBondContact CE-OE1 3.26Å; K44-E48 IonicContact NZ-OE1 2.65Å; K44-E48 WeakPolarHBondContact O-CG 3.22Å; K44-E48 PolarHBondContact O-N 3.23Å; A45-E48 PolarHBondContact O-N 2.86Å; E48-E50 PolarHBondContact O-N 3.44Å; E48-I51 PolarHBondContact O-N 3.37Å; E48-V52 WeakPolarHBondContact O-CB 3.41Å; E48-V52 VanDerWaalsContact O-CG2 3.23Å; E48-V52 WeakPolarHBondContact O-CG2 3.33Å; E48-V52 PolarHBondContact O-N 3.43Å; E48-R72 IonicContact OE2-NH2 2.69Å; E48-L107 HydrophobicContact CB-CD2 4.32Å; E48-L107 HydrophobicContact CG-CD2 3.97Å
49D95.4Very high90.9Very high7 Ų769 Ų694%0.03736%0.364CS..Hα-helixtrans-60.4-45.3176.9-78.5-14.2000112.5T29 A45 A46 I47 V52 R53 I70 R72T29-D49 VanDerWaalsContact CB-OD2 3.31Å; T29-D49 WeakPolarHBondContact CB-OD2 2.91Å; T29-D49 PolarHBondContact OG1-OD2 3.28Å; A45-D49 WeakPolarHBondContact O-CB 3.5Å; A45-D49 VanDerWaalsContact O-CG 3.32Å; A45-D49 PolarHBondContact O-N 3.31Å; A46-D49 PolarHBondContact O-N 3.39Å; I47-D49 VanDerWaalsContact C-N 3.32Å; I47-D49 PolarHBondContact O-N 3Å; D49-V52 PolarHBondContact O-N 3.01Å; D49-R53 WeakPolarHBondContact O-CB 3.4Å; D49-R53 VanDerWaalsContact O-CG 3.25Å; D49-R53 WeakPolarHBondContact O-CG 3.41Å; D49-R53 PolarHBondContact O-N 2.83Å; D49-I70 HydrophobicContact CB-CD1 4.16Å; D49-I70 WeakPolarHBondContact OD1-CG2 3.36Å; D49-R72 IonicContact OD1-CZ 3.66Å; D49-R72 IonicContact OD1-NH1 3.06Å; D49-R72 PolarHBondContact OD1-NH1 3.37Å; D49-R72 IonicContact OD1-NH2 3.9Å; D49-R72 PolarHBondContact OD1-NH2 2.92Å; D49-R72 IonicContact OD2-NH1 2.66Å; D49-R72 PolarHBondContact OD2-NH1 2.94Å; D49-R72 VanDerWaalsContact OD2-NH1 3.12Å
50E95.9Very high92.1Very high92 Ų9267 Ų6743%0.4334%0.343SS..Hα-helixtrans-64.2-40.7177.9-79.6-61.4124.500112.1A46 I47 E48 R53 R54A46-E50 PolarHBondContact O-N 3.01Å; A46-E50 VanDerWaalsContact O-N 3.11Å; I47-E50 PolarHBondContact O-N 3.44Å; E48-E50 PolarHBondContact O-N 3.44Å; E50-R53 PolarHBondContact O-N 3.41Å; E50-R54 WeakPolarHBondContact O-CB 3.34Å; E50-R54 WeakPolarHBondContact O-CD 3.27Å; E50-R54 VanDerWaalsContact O-CG 3.24Å; E50-R54 WeakPolarHBondContact O-CG 3.32Å; E50-R54 PolarHBondContact O-N 3.44Å; E50-R54 IonicContact OE2-NE 3.52Å; E50-R54 IonicContact OE2-NH2 2.81Å
51I96.1Very high93Very high64 Ų6464.2 Ų64.233%0.32833%0.334SS..Hα-helixtrans-61.1-49.4175.3-68.9166.5000110.1I47 E48 R53 R54 M55 L106I47-I51 HydrophobicContact CG2-CD1 3.8Å; I47-I51 HydrophobicContact CG2-CG1 4.49Å; I47-I51 VanDerWaalsContact O-CG1 3.3Å; I47-I51 WeakPolarHBondContact O-CG1 3.47Å; I47-I51 PolarHBondContact O-N 2.89Å; E48-I51 PolarHBondContact O-N 3.37Å; I51-R53 PolarHBondContact O-N 3.48Å; I51-R54 PolarHBondContact O-N 3.42Å; I51-M55 HydrophobicContact CG2-CE 4.06Å; I51-M55 HydrophobicContact CG2-CG 4.28Å; I51-M55 HydrophobicContact CG2-SD 3.99Å; I51-M55 WeakPolarHBondContact O-CB 2.9Å; I51-M55 WeakPolarHBondContact O-CG 3.38Å; I51-M55 PolarHBondContact O-N 3.43Å; I51-L106 HydrophobicContact CG2-CD2 3.93Å
52V96.6Very high93.7Very high0 Ų064.7 Ų64.70%034%0.341CS..Hα-helixtrans-60-46.6-179.8169.90000111E48 D49 R54 M55 I56 I70 L77 V79 L103 L107E48-V52 WeakPolarHBondContact O-CB 3.41Å; E48-V52 VanDerWaalsContact O-CG2 3.23Å; E48-V52 WeakPolarHBondContact O-CG2 3.33Å; E48-V52 PolarHBondContact O-N 3.43Å; D49-V52 PolarHBondContact O-N 3.01Å; V52-R54 PolarHBondContact O-N 3.25Å; V52-M55 PolarHBondContact O-N 3.03Å; V52-I56 HydrophobicContact CG1-CD1 3.67Å; V52-I56 HydrophobicContact CG1-CG1 4.44Å; V52-I56 WeakPolarHBondContact O-CB 3.47Å; V52-I56 VanDerWaalsContact O-CG1 3.3Å; V52-I56 WeakPolarHBondContact O-CG1 3.08Å; V52-I56 PolarHBondContact O-N 2.65Å; V52-I70 HydrophobicContact CB-CD1 4.32Å; V52-I70 HydrophobicContact CG1-CD1 4.04Å; V52-L77 HydrophobicContact CG2-CD2 3.88Å; V52-V79 HydrophobicContact CG1-CG2 3.77Å; V52-L103 HydrophobicContact CG1-CD1 4.5Å; V52-L103 HydrophobicContact CG2-CD2 4.47Å; V52-L107 HydrophobicContact CG2-CD1 3.69Å
53R96.7Very high94.3Very high32 Ų3262.4 Ų62.412%0.12133%0.325CS..Hα-helixtrans-59.1-49.2178.2-71.8174.2-169.5-70.4-7.5111.3L28 D49 E50 I51 I56 Y57 L68 I70L28-R53 PolarHBondContact O-NH2 3.49Å; D49-R53 WeakPolarHBondContact O-CB 3.4Å; D49-R53 VanDerWaalsContact O-CG 3.25Å; D49-R53 WeakPolarHBondContact O-CG 3.41Å; D49-R53 PolarHBondContact O-N 2.83Å; E50-R53 PolarHBondContact O-N 3.41Å; I51-R53 PolarHBondContact O-N 3.48Å; R53-I56 PolarHBondContact O-N 3.03Å; R53-Y57 HydrophobicContact CB-CE2 4.49Å; R53-Y57 WeakPolarHBondContact O-CD2 3.19Å; R53-Y57 PolarHBondContact O-N 3.42Å; R53-L68 HydrophobicContact CG-CD1 4.49Å; R53-L68 PolarHBondContact NH1-O 3.2Å; R53-I70 HydrophobicContact CG-CD1 3.93Å
54R96.3Very high94.5Very high180 Ų18060.3 Ų60.368%0.67930%0.303SS*.Hα-helixtrans-64.6-43.5-179.1-71.1170-176.2-99.9-1.2112.2E50 I51 V52 Y57 G58E50-R54 WeakPolarHBondContact O-CB 3.34Å; E50-R54 WeakPolarHBondContact O-CD 3.27Å; E50-R54 VanDerWaalsContact O-CG 3.24Å; E50-R54 WeakPolarHBondContact O-CG 3.32Å; E50-R54 PolarHBondContact O-N 3.44Å; E50-R54 IonicContact OE2-NE 3.52Å; E50-R54 IonicContact OE2-NH2 2.81Å; I51-R54 PolarHBondContact O-N 3.42Å; V52-R54 PolarHBondContact O-N 3.25Å; R54-Y57 PolarHBondContact O-N 3.03Å; R54-G58 PolarHBondContact O-N 2.9Å
55M96Very high94.6Very high66 Ų6654.8 Ų54.833%0.32528%0.28SS..Hα-helixtrans-63.3-46.5177.7-76.4-167.3168.600111.6I51 V52 Y57 G58 I59 L103 L106I51-M55 HydrophobicContact CG2-CE 4.06Å; I51-M55 HydrophobicContact CG2-CG 4.28Å; I51-M55 HydrophobicContact CG2-SD 3.99Å; I51-M55 WeakPolarHBondContact O-CB 2.9Å; I51-M55 WeakPolarHBondContact O-CG 3.38Å; I51-M55 PolarHBondContact O-N 3.43Å; V52-M55 PolarHBondContact O-N 3.03Å; M55-Y57 PolarHBondContact O-N 3.47Å; M55-G58 PolarHBondContact O-N 3.23Å; M55-G58 VanDerWaalsContact O-N 3.14Å; M55-I59 HydrophobicContact CB-CD1 4.4Å; M55-I59 WeakPolarHBondContact O-CD1 3.36Å; M55-I59 WeakPolarHBondContact O-CG1 3.4Å; M55-I59 PolarHBondContact O-N 2.99Å; M55-L103 HydrophobicContact CB-CD2 4.29Å; M55-L103 HydrophobicContact SD-CD2 3.79Å; M55-L106 HydrophobicContact CE-CD2 3.38Å; M55-L106 HydrophobicContact SD-CD2 3.39Å; M55-L106 WeakPolarHBondContact SD-CD2 3.38Å
56I96.2Very high94.6Very high0 Ų055.4 Ų55.40%028%0.284CS..Hα-helixtrans-63.1-45.9179.3-70173.6000110.4V52 R53 G58 I59 W60 F64 L68 V79 L103 L113V52-I56 HydrophobicContact CG1-CD1 3.67Å; V52-I56 HydrophobicContact CG1-CG1 4.44Å; V52-I56 WeakPolarHBondContact O-CB 3.47Å; V52-I56 VanDerWaalsContact O-CG1 3.3Å; V52-I56 WeakPolarHBondContact O-CG1 3.08Å; V52-I56 PolarHBondContact O-N 2.65Å; R53-I56 PolarHBondContact O-N 3.03Å; I56-G58 PolarHBondContact O-N 2.94Å; I56-I59 PolarHBondContact O-N 3.21Å; I56-W60 HydrophobicContact CG2-CG 4.32Å; I56-W60 WeakPolarHBondContact O-CA 3.3Å; I56-W60 WeakPolarHBondContact O-CB 3.25Å; I56-W60 PolarHBondContact O-N 2.91Å; I56-F64 HydrophobicContact CG2-CD2 3.9Å; I56-F64 HydrophobicContact CG2-CE2 3.25Å; I56-F64 HydrophobicContact CG2-CZ 3.79Å; I56-L68 HydrophobicContact CB-CD1 3.79Å; I56-L68 HydrophobicContact CD1-CD1 4.1Å; I56-L68 HydrophobicContact CG2-CD1 3.6Å; I56-L68 HydrophobicContact CG2-CD2 4.08Å; I56-L68 HydrophobicContact CG2-CG 4.47Å; I56-V79 HydrophobicContact CD1-CB 4.16Å; I56-V79 HydrophobicContact CD1-CG1 3.41Å; I56-V79 VanDerWaalsContact CD1-CG1 3.41Å; I56-V79 HydrophobicContact CD1-CG2 4.28Å; I56-L103 HydrophobicContact CD1-CD1 4.24Å; I56-L103 HydrophobicContact CG1-CD1 4.23Å; I56-L113 HydrophobicContact CD1-CD2 4.26Å
57Y95.4Very high94.7Very high104 Ų10454.5 Ų54.541%0.40827%0.271SS..Hα-helixtrans-63.3-29.5176-72.5-53.6000113.5R53 R54 M55 F64 L68R53-Y57 HydrophobicContact CB-CE2 4.49Å; R53-Y57 WeakPolarHBondContact O-CD2 3.19Å; R53-Y57 PolarHBondContact O-N 3.42Å; R54-Y57 PolarHBondContact O-N 3.03Å; M55-Y57 PolarHBondContact O-N 3.47Å; Y57-F64 HydrophobicContact CE1-CB 4.26Å; Y57-L68 HydrophobicContact CE2-CD1 4.33Å
58G95.3Very high94.8Very high60 Ų6049.5 Ų49.562%0.61925%0.245SC*.Hα-helixtrans-72.8-42.4173.600000113.6R54 M55 I56R54-G58 PolarHBondContact O-N 2.9Å; M55-G58 PolarHBondContact O-N 3.23Å; M55-G58 VanDerWaalsContact O-N 3.14Å; I56-G58 PolarHBondContact O-N 2.94Å
59I95.6Very high94.9Very high38 Ų3850.2 Ų50.220%0.19525%0.252CS..Hα-helixtrans-78.3-30.6-178-60.5160.3000111.6M55 I56 P61 L95 F98 T99 L102M55-I59 HydrophobicContact CB-CD1 4.4Å; M55-I59 WeakPolarHBondContact O-CD1 3.36Å; M55-I59 WeakPolarHBondContact O-CG1 3.4Å; M55-I59 PolarHBondContact O-N 2.99Å; I56-I59 PolarHBondContact O-N 3.21Å; I59-P61 VanDerWaalsContact C-CD 3.4Å; I59-P61 WeakPolarHBondContact O-CD 3.3Å; I59-L95 HydrophobicContact CG2-CD2 4.12Å; I59-F98 HydrophobicContact CD1-CE1 4.36Å; I59-F98 HydrophobicContact CG1-CE1 4.43Å; I59-F98 HydrophobicContact CG2-CD1 4.04Å; I59-F98 HydrophobicContact CG2-CE1 3.96Å; I59-T99 HydrophobicContact CB-CG2 4.03Å; I59-T99 HydrophobicContact CD1-CG2 3.76Å; I59-T99 HydrophobicContact CG1-CG2 4.44Å; I59-T99 HydrophobicContact CG2-CG2 3.37Å; I59-L102 HydrophobicContact CD1-CD2 3.81Å
60W94.9Very high95Very high0 Ų049.9 Ų49.90%025%0.25CC..SBendtrans-110.771.6-176.6-64.781.6000111.2I56 K62 L63 F64 V83 M92 L95 I96 L113 L115I56-W60 HydrophobicContact CG2-CG 4.32Å; I56-W60 WeakPolarHBondContact O-CA 3.3Å; I56-W60 WeakPolarHBondContact O-CB 3.25Å; I56-W60 PolarHBondContact O-N 2.91Å; W60-K62 PolarHBondContact O-N 2.9Å; W60-L63 HydrophobicContact CB-CB 4.45Å; W60-L63 HydrophobicContact CB-CD1 4.4Å; W60-L63 HydrophobicContact CE3-CB 4.28Å; W60-L63 HydrophobicContact CE3-CD1 3.67Å; W60-L63 HydrophobicContact CZ3-CD1 4.34Å; W60-L63 PolarHBondContact O-N 3.15Å; W60-F64 HydrophobicContact CB-CD2 3.72Å; W60-F64 HydrophobicContact CB-CE2 3.59Å; W60-F64 AromaticContact CD2-CE2 3.79Å; W60-F64 HydrophobicContact CD2-CE2 3.79Å; W60-F64 HydrophobicContact CD2-CZ 4.46Å; W60-F64 HydrophobicContact CE3-CE2 4.13Å; W60-F64 HydrophobicContact CG-CD2 4.2Å; W60-F64 AromaticContact CG-CE2 3.53Å; W60-F64 HydrophobicContact CG-CE2 3.53Å; W60-V83 HydrophobicContact CZ3-CG1 4.45Å; W60-M92 HydrophobicContact CH2-SD 3.79Å; W60-M92 HydrophobicContact CZ3-SD 3.36Å; W60-M92 WeakPolarHBondContact CZ3-SD 3.44Å; W60-L95 HydrophobicContact CE3-CD1 4.31Å; W60-L95 HydrophobicContact CH2-CB 3.65Å; W60-L95 HydrophobicContact CH2-CD1 4.4Å; W60-L95 HydrophobicContact CZ2-CB 3.57Å; W60-L95 HydrophobicContact CZ3-CB 4.29Å; W60-L95 HydrophobicContact CZ3-CD1 4.21Å; W60-I96 HydrophobicContact CH2-CG1 3.89Å; W60-I96 HydrophobicContact CZ2-CG1 4.12Å; W60-L113 HydrophobicContact CZ2-CD1 4.46Å; W60-L115 HydrophobicContact CH2-CD1 3.5Å; W60-L115 VanDerWaalsContact CH2-CD1 3.5Å; W60-L115 HydrophobicContact CZ2-CD1 3.99Å; W60-L115 HydrophobicContact CZ3-CD1 3.99Å
61P91Very high95Very high89 Ų8948.6 Ų48.658%0.57824%0.243SC*.THydrogen-bonded Turntrans-65.6109-168.527.2-36.4000111.6I59 L63I59-P61 VanDerWaalsContact C-CD 3.4Å; I59-P61 WeakPolarHBondContact O-CD 3.3Å; P61-L63 PolarHBondContact O-N 3.04Å; P61-L63 VanDerWaalsContact O-N 3.15Å
62K90.7Very high95Very high187 Ų18747.6 Ų47.681%0.81324%0.235SC*.THydrogen-bonded Turntrans55.129.5176.8-55.1179.9-179.9177.70114.2W60W60-K62 PolarHBondContact O-N 2.9Å
63L93.7Very high94.8Very high5 Ų555.5 Ų55.53%0.02627%0.265CS..THydrogen-bonded Turntrans-94.6-35.6177.7-69.4172.3000112.5W60 P61 V65 V83 E84 R86 I87 L95W60-L63 HydrophobicContact CB-CB 4.45Å; W60-L63 HydrophobicContact CB-CD1 4.4Å; W60-L63 HydrophobicContact CE3-CB 4.28Å; W60-L63 HydrophobicContact CE3-CD1 3.67Å; W60-L63 HydrophobicContact CZ3-CD1 4.34Å; W60-L63 PolarHBondContact O-N 3.15Å; P61-L63 PolarHBondContact O-N 3.04Å; P61-L63 VanDerWaalsContact O-N 3.15Å; L63-V65 PolarHBondContact O-N 2.99Å; L63-V83 HydrophobicContact CB-CG1 4.05Å; L63-V83 WeakPolarHBondContact O-CA 3.25Å; L63-E84 PolarHBondContact O-N 3.3Å; L63-R86 HydrophobicContact CD2-CB 4.12Å; L63-I87 HydrophobicContact CD1-CD1 3.49Å; L63-I87 VanDerWaalsContact CD1-CD1 3.49Å; L63-I87 HydrophobicContact CD1-CG1 4.47Å; L63-I87 HydrophobicContact CD2-CD1 3.72Å; L63-I87 HydrophobicContact CD2-CG1 3.88Å; L63-I87 HydrophobicContact CG-CD1 4.18Å; L63-L95 HydrophobicContact CD1-CD1 4.41Å
64F94.6Very high94.6Very high22 Ų2257.9 Ų57.910%0.09630%0.299CS..BIsolated β-bridgetrans-71128.2174.1-77.6-83.1000110.5I56 Y57 W60 L68 I82 V83 L115I56-F64 HydrophobicContact CG2-CD2 3.9Å; I56-F64 HydrophobicContact CG2-CE2 3.25Å; I56-F64 HydrophobicContact CG2-CZ 3.79Å; Y57-F64 HydrophobicContact CE1-CB 4.26Å; W60-F64 HydrophobicContact CB-CD2 3.72Å; W60-F64 HydrophobicContact CB-CE2 3.59Å; W60-F64 AromaticContact CD2-CE2 3.79Å; W60-F64 HydrophobicContact CD2-CE2 3.79Å; W60-F64 HydrophobicContact CD2-CZ 4.46Å; W60-F64 HydrophobicContact CE3-CE2 4.13Å; W60-F64 HydrophobicContact CG-CD2 4.2Å; W60-F64 AromaticContact CG-CE2 3.53Å; W60-F64 HydrophobicContact CG-CE2 3.53Å; F64-L68 HydrophobicContact CD1-CD2 3.47Å; F64-L68 VanDerWaalsContact CD1-CD2 3.47Å; F64-L68 HydrophobicContact CD2-CD2 4.3Å; F64-L68 HydrophobicContact CE1-CD2 3.31Å; F64-L68 HydrophobicContact CE2-CD2 4.16Å; F64-L68 HydrophobicContact CG-CD2 3.97Å; F64-L68 HydrophobicContact CZ-CD2 3.69Å; F64-I82 WeakPolarHBondContact CA-O 3.23Å; F64-V83 HydrophobicContact CD1-CG2 3.7Å; F64-V83 HydrophobicContact CD2-CG2 4.48Å; F64-V83 HydrophobicContact CE1-CG2 3.48Å; F64-V83 VanDerWaalsContact CE1-CG2 3.48Å; F64-V83 HydrophobicContact CE2-CG2 4.29Å; F64-V83 HydrophobicContact CG-CG2 4.22Å; F64-V83 HydrophobicContact CZ-CG2 3.81Å; F64-L115 HydrophobicContact CE1-CD2 3.63Å; F64-L115 HydrophobicContact CZ-CD2 3.6Å
65V93.4Very high94.4Very high11 Ų1154.2 Ų54.27%0.06729%0.293CS..  trans-96.5-28179.2-175.50000111.7L63 I82 E84 K121 I124L63-V65 PolarHBondContact O-N 2.99Å; V65-I82 PolarHBondContact N-O 2.74Å; V65-E84 HydrophobicContact CG2-CB 3.67Å; V65-E84 HydrophobicContact CG2-CG 4.36Å; V65-K121 HydrophobicContact CG1-CB 4.22Å; V65-K121 HydrophobicContact CG1-CD 4.23Å; V65-K121 HydrophobicContact CG1-CG 3.69Å; V65-K121 HydrophobicContact CG2-CB 4.46Å; V65-I124 HydrophobicContact CB-CD1 3.47Å; V65-I124 VanDerWaalsContact CB-CD1 3.47Å; V65-I124 HydrophobicContact CG1-CB 3.97Å; V65-I124 HydrophobicContact CG1-CD1 3.32Å; V65-I124 HydrophobicContact CG1-CG1 4.24Å; V65-I124 HydrophobicContact CG1-CG2 4.19Å; V65-I124 HydrophobicContact CG2-CD1 4.14Å
66S92.2Very high94.4Very high21 Ų2153.9 Ų53.915%0.14729%0.292CS..SBendtrans-110.5164.8175.571.10000111.6I82S66-I82 PolarHBondContact OG-N 2.96Å
67E93.9Very high94.4Very high34 Ų3453.9 Ų53.916%0.15929%0.292CS..  trans-60146.4165.6-61.989.8151.100111E13 M14 L28E13-E67 VanDerWaalsContact CB-CD 3.48Å; E13-E67 WeakPolarHBondContact CB-OE1 3.49Å; E13-E67 WeakPolarHBondContact CB-OE2 3.32Å; M14-E67 WeakPolarHBondContact CG-OE1 3.47Å; L28-E67 HydrophobicContact CD1-CB 3.89Å; L28-E67 HydrophobicContact CD1-CG 4.28Å; L28-E67 HydrophobicContact CD2-CB 4.07Å
68L96.2Very high94.5Very high0 Ų050.1 Ų50.10%028%0.278CS..  trans-73.6138.7177.7-62.9170.6000111.1R53 I56 Y57 F64 V79R53-L68 HydrophobicContact CG-CD1 4.49Å; R53-L68 PolarHBondContact NH1-O 3.2Å; I56-L68 HydrophobicContact CB-CD1 3.79Å; I56-L68 HydrophobicContact CD1-CD1 4.1Å; I56-L68 HydrophobicContact CG2-CD1 3.6Å; I56-L68 HydrophobicContact CG2-CD2 4.08Å; I56-L68 HydrophobicContact CG2-CG 4.47Å; Y57-L68 HydrophobicContact CE2-CD1 4.33Å; F64-L68 HydrophobicContact CD1-CD2 3.47Å; F64-L68 VanDerWaalsContact CD1-CD2 3.47Å; F64-L68 HydrophobicContact CD2-CD2 4.3Å; F64-L68 HydrophobicContact CE1-CD2 3.31Å; F64-L68 HydrophobicContact CE2-CD2 4.16Å; F64-L68 HydrophobicContact CG-CD2 3.97Å; F64-L68 HydrophobicContact CZ-CD2 3.69Å; L68-V79 HydrophobicContact CD2-CG1 4.35Å
69V97.2Very high94.6Very high42 Ų4247.3 Ų47.326%0.25525%0.249SC..EExtended strand (participates in β ladder)trans-107.2118172.3-178.30000108.7L28 K71 A80L28-V69 HydrophobicContact CD2-CG2 4.16Å; L28-V69 WeakPolarHBondContact O-CA 3.24Å; V69-K71 HydrophobicContact CG1-CG 4.24Å; V69-A80 HydrophobicContact CB-CB 4.33Å; V69-A80 PolarHBondContact N-O 3.39Å; V69-A80 PolarHBondContact O-N 3.4Å
70I97.2Very high94.7Very high0 Ų046.1 Ų46.10%024%0.244CC..EExtended strand (participates in β ladder)trans-103.5129.2-179.8-60.4173.1000108.6L28 T29 W30 D49 V52 R53 L77 V79L28-I70 PolarHBondContact O-N 2.98Å; T29-I70 CarbonylContact C-O 3.58Å; T29-I70 VanDerWaalsContact CA-O 3.32Å; T29-I70 WeakPolarHBondContact CA-O 3.3Å; W30-I70 PolarHBondContact N-O 3.33Å; D49-I70 HydrophobicContact CB-CD1 4.16Å; D49-I70 WeakPolarHBondContact OD1-CG2 3.36Å; V52-I70 HydrophobicContact CB-CD1 4.32Å; V52-I70 HydrophobicContact CG1-CD1 4.04Å; R53-I70 HydrophobicContact CG-CD1 3.93Å; I70-L77 HydrophobicContact CG2-CD1 3.46Å; I70-L77 VanDerWaalsContact CG2-CD1 3.46Å; I70-L77 HydrophobicContact CG2-CG 4.4Å; I70-V79 HydrophobicContact CG1-CG2 4.48Å
71K96.9Very high94.7Very high66 Ų6646.5 Ų46.529%0.28725%0.248SC..EExtended strand (participates in β ladder)trans-128125.8178.3-50.6169.8-171.21610109.2V69 F78 E114V69-K71 HydrophobicContact CG1-CG 4.24Å; K71-F78 HydrophobicContact CB-CB 4.22Å; K71-F78 PolarHBondContact N-O 2.89Å; K71-F78 PolarHBondContact O-N 2.92Å; K71-E114 IonicContact NZ-OE2 3.62Å
72R94.7Very high94.9Very high43 Ų4344.7 Ų44.716%0.16223%0.233CC..EExtended strand (participates in β ladder)trans-100.9124.6171.9-68.4-177.4177.575.53.3109.9W30 H31 A45 E48 D49 L77W30-R72 PolarHBondContact O-N 3.44Å; H31-R72 HydrophobicContact CB-CB 4.25Å; H31-R72 HydrophobicContact CB-CG 4.38Å; A45-R72 PolarHBondContact O-NH2 2.93Å; E48-R72 IonicContact OE2-NH2 2.69Å; D49-R72 IonicContact OD1-CZ 3.66Å; D49-R72 IonicContact OD1-NH1 3.06Å; D49-R72 PolarHBondContact OD1-NH1 3.37Å; D49-R72 IonicContact OD1-NH2 3.9Å; D49-R72 PolarHBondContact OD1-NH2 2.92Å; D49-R72 IonicContact OD2-NH1 2.66Å; D49-R72 PolarHBondContact OD2-NH1 2.94Å; D49-R72 VanDerWaalsContact OD2-NH1 3.12Å; R72-L77 HydrophobicContact CG-CD1 3.7Å
73R93.8Very high95.2Very high166 Ų16635.8 Ų35.863%0.62619%0.194SC*.EExtended strand (participates in β ladder)trans-124.199.6171.9-68.1-179.7171.8169.9-4108.1N75 I76 F78R73-N75 PolarHBondContact O-N 3.41Å; R73-I76 PolarHBondContact N-O 3.01Å; R73-I76 PolarHBondContact O-N 3.5Å; R73-F78 HydrophobicContact CB-CD2 4.43Å; R73-F78 HydrophobicContact CB-CE2 4.05Å; R73-F78 HydrophobicContact CG-CD2 4.42Å; R73-F78 HydrophobicContact CG-CE2 4.32Å
74G90.6Very high95.2Very high81 Ų8136.3 Ų36.384%0.83520%0.197SC*.THydrogen-bonded Turntrans60.2-123.3-171.100000111
75N92.8Very high95.1Very high104 Ų10443.4 Ų43.456%0.55622%0.223SC*.THydrogen-bonded Turntrans-89.31.2177.5-164.438.6000113.8R73 Q109 P110R73-N75 PolarHBondContact O-N 3.41Å; N75-Q109 WeakPolarHBondContact O-CB 3.4Å; N75-P110 WeakPolarHBondContact O-CD 3.34Å
76I96.1Very high95Very high58 Ų5849.9 Ų49.930%0.29725%0.246SC..EExtended strand (participates in β ladder)trans-98.1128.4-178.5-51.1175.1000109.6R73 F78 P110R73-I76 PolarHBondContact N-O 3.01Å; R73-I76 PolarHBondContact O-N 3.5Å; I76-F78 HydrophobicContact CB-CD2 4.39Å; I76-F78 HydrophobicContact CB-CE2 3.76Å; I76-F78 HydrophobicContact CB-CZ 4.34Å; I76-F78 HydrophobicContact CG2-CD2 3.9Å; I76-F78 HydrophobicContact CG2-CE1 4.34Å; I76-F78 HydrophobicContact CG2-CE2 3.37Å; I76-F78 HydrophobicContact CG2-CZ 3.63Å; I76-P110 HydrophobicContact CB-CG 4.39Å; I76-P110 HydrophobicContact CG1-CG 3.86Å
77L96.7Very high95.1Very high0 Ų051.6 Ų51.60%025%0.253CS..EExtended strand (participates in β ladder)trans-98113.8173.1-172.971000109.9V52 I70 R72 V79 L107 P110 V111 K112V52-L77 HydrophobicContact CG2-CD2 3.88Å; I70-L77 HydrophobicContact CG2-CD1 3.46Å; I70-L77 VanDerWaalsContact CG2-CD1 3.46Å; I70-L77 HydrophobicContact CG2-CG 4.4Å; R72-L77 HydrophobicContact CG-CD1 3.7Å; L77-V79 HydrophobicContact CD2-CG2 4.15Å; L77-V79 HydrophobicContact CG-CG2 4.13Å; L77-L107 HydrophobicContact CD2-CD1 3.69Å; L77-P110 PolarHBondContact N-O 3.32Å; L77-V111 HydrophobicContact CB-CG2 4.15Å; L77-V111 HydrophobicContact CD2-CG1 4.27Å; L77-V111 HydrophobicContact CD2-CG2 4.09Å; L77-V111 CarbonylContact O-C 3.56Å; L77-V111 WeakPolarHBondContact O-CA 3.35Å; L77-K112 PolarHBondContact O-N 2.82Å
78F97.6Very high95.1Very high26 Ų2653 Ų5311%0.11427%0.267CS..EExtended strand (participates in β ladder)trans-97.8125.4171.3-64.2-94.6000109K71 R73 I76 K112 E114K71-F78 HydrophobicContact CB-CB 4.22Å; K71-F78 PolarHBondContact N-O 2.89Å; K71-F78 PolarHBondContact O-N 2.92Å; R73-F78 HydrophobicContact CB-CD2 4.43Å; R73-F78 HydrophobicContact CB-CE2 4.05Å; R73-F78 HydrophobicContact CG-CD2 4.42Å; R73-F78 HydrophobicContact CG-CE2 4.32Å; I76-F78 HydrophobicContact CB-CD2 4.39Å; I76-F78 HydrophobicContact CB-CE2 3.76Å; I76-F78 HydrophobicContact CB-CZ 4.34Å; I76-F78 HydrophobicContact CG2-CD2 3.9Å; I76-F78 HydrophobicContact CG2-CE1 4.34Å; I76-F78 HydrophobicContact CG2-CE2 3.37Å; I76-F78 HydrophobicContact CG2-CZ 3.63Å; F78-K112 CarbonylContact C-O 3.58Å; F78-K112 WeakPolarHBondContact CA-O 3.47Å; F78-K112 HydrophobicContact CD1-CB 3.9Å; F78-K112 HydrophobicContact CD1-CD 4.49Å; F78-K112 HydrophobicContact CE1-CB 4.08Å; F78-K112 HydrophobicContact CE1-CD 3.83Å; F78-K112 HydrophobicContact CE1-CG 4.47Å; F78-K112 HydrophobicContact CZ-CD 4.38Å; F78-E114 HydrophobicContact CD1-CG 4.31Å; F78-E114 VanDerWaalsContact CD1-OE1 3.25Å; F78-E114 WeakPolarHBondContact CD1-OE1 3.38Å
79V97.2Very high95Very high1 Ų156.7 Ų56.71%0.00629%0.293CS..EExtended strand (participates in β ladder)trans-114.1113173.7-176.60000108.6V52 I56 L68 I70 L77 V111 K112 L113 E114V52-V79 HydrophobicContact CG1-CG2 3.77Å; I56-V79 HydrophobicContact CD1-CB 4.16Å; I56-V79 HydrophobicContact CD1-CG1 3.41Å; I56-V79 VanDerWaalsContact CD1-CG1 3.41Å; I56-V79 HydrophobicContact CD1-CG2 4.28Å; L68-V79 HydrophobicContact CD2-CG1 4.35Å; I70-V79 HydrophobicContact CG1-CG2 4.48Å; L77-V79 HydrophobicContact CD2-CG2 4.15Å; L77-V79 HydrophobicContact CG-CG2 4.13Å; V79-V111 HydrophobicContact CG2-CG1 4.39Å; V79-K112 PolarHBondContact N-O 2.98Å; V79-L113 HydrophobicContact CB-CD2 3.71Å; V79-L113 HydrophobicContact CG1-CD2 3.98Å; V79-L113 CarbonylContact O-C 3.56Å; V79-L113 WeakPolarHBondContact O-CA 3.32Å; V79-E114 PolarHBondContact O-N 3.07Å
80A97.1Very high95Very high13 Ų1359 Ų5911%0.10731%0.31CS..EExtended strand (participates in β ladder)trans-107.3147.1-179.200000111V69 E114V69-A80 HydrophobicContact CB-CB 4.33Å; V69-A80 PolarHBondContact N-O 3.39Å; V69-A80 PolarHBondContact O-N 3.4Å; A80-E114 VanDerWaalsContact CA-O 3.24Å; A80-E114 WeakPolarHBondContact CA-O 3.25Å; A80-E114 HydrophobicContact CB-CB 3.97Å
81G95.6Very high94.9Very high8 Ų865.4 Ų65.48%0.08234%0.338CS..EExtended strand (participates in β ladder)trans-174.2168.3174.400000112.7E114 L115 S116G81-E114 PolarHBondContact N-O 2.82Å; G81-L115 WeakPolarHBondContact O-CA 3.31Å; G81-S116 PolarHBondContact O-N 3.11Å
82I95.9Very high94.8Very high50 Ų5063.1 Ų63.126%0.25633%0.329SS..EExtended strand (participates in β ladder)trans-106.1127.9-179.5-51.9170.6000109.5F64 V65 S66 S116 V118 I124F64-I82 WeakPolarHBondContact CA-O 3.23Å; V65-I82 PolarHBondContact N-O 2.74Å; S66-I82 PolarHBondContact OG-N 2.96Å; I82-S116 CarbonylContact C-O 3.55Å; I82-S116 VanDerWaalsContact CA-O 3.32Å; I82-S116 WeakPolarHBondContact CA-O 3.42Å; I82-V118 HydrophobicContact CG2-CB 4.12Å; I82-V118 HydrophobicContact CG2-CG2 3.5Å; I82-I124 HydrophobicContact CB-CD1 4.22Å; I82-I124 HydrophobicContact CG2-CD1 3.52Å
83V95.4Very high94.8Very high0 Ų069.3 Ų69.30%035%0.353CS..EExtended strand (participates in β ladder)trans-118.4137.8-173.8178.20000110.8W60 L63 F64 M92 L115 S116 T117 V118W60-V83 HydrophobicContact CZ3-CG1 4.45Å; L63-V83 HydrophobicContact CB-CG1 4.05Å; L63-V83 WeakPolarHBondContact O-CA 3.25Å; F64-V83 HydrophobicContact CD1-CG2 3.7Å; F64-V83 HydrophobicContact CD2-CG2 4.48Å; F64-V83 HydrophobicContact CE1-CG2 3.48Å; F64-V83 VanDerWaalsContact CE1-CG2 3.48Å; F64-V83 HydrophobicContact CE2-CG2 4.29Å; F64-V83 HydrophobicContact CG-CG2 4.22Å; F64-V83 HydrophobicContact CZ-CG2 3.81Å; V83-M92 HydrophobicContact CG1-CE 3.75Å; V83-M92 HydrophobicContact CG1-SD 4Å; V83-L115 HydrophobicContact CG2-CB 4.48Å; V83-L115 HydrophobicContact CG2-CD1 4.21Å; V83-L115 HydrophobicContact CG2-CD2 4.04Å; V83-L115 HydrophobicContact CG2-CG 4.47Å; V83-S116 PolarHBondContact N-O 3Å; V83-T117 CarbonylContact O-C 3.58Å; V83-T117 VanDerWaalsContact O-CA 3.3Å; V83-T117 WeakPolarHBondContact O-CA 3.47Å; V83-V118 PolarHBondContact O-N 2.83Å
84E94.5Very high95Very high17 Ų1769.3 Ų69.38%0.07935%0.354CS..EExtended strand (participates in β ladder)trans-77.9136.3174.2-159.5176.9157.100111.1L63 V65 R86L63-E84 PolarHBondContact O-N 3.3Å; V65-E84 HydrophobicContact CG2-CB 3.67Å; V65-E84 HydrophobicContact CG2-CG 4.36Å; E84-R86 HydrophobicContact CB-CG 4.24Å; E84-R86 VanDerWaalsContact CD-CZ 3.44Å; E84-R86 HydrophobicContact CG-CG 3.94Å; E84-R86 PolarHBondContact O-N 2.65Å; E84-R86 IonicContact OE1-CZ 3.26Å; E84-R86 VanDerWaalsContact OE1-CZ 3.26Å; E84-R86 IonicContact OE1-NE 3.08Å; E84-R86 PolarHBondContact OE1-NE 3.12Å; E84-R86 IonicContact OE1-NH2 2.88Å; E84-R86 PolarHBondContact OE1-NH2 2.95Å; E84-R86 IonicContact OE2-CZ 3.02Å; E84-R86 IonicContact OE2-NE 3.12Å; E84-R86 PolarHBondContact OE2-NE 3.25Å; E84-R86 VanDerWaalsContact OE2-NE 3.08Å; E84-R86 IonicContact OE2-NH1 3.91Å; E84-R86 IonicContact OE2-NH2 2.67Å; E84-R86 PolarHBondContact OE2-NH2 3.18Å
85R92.7Very high95.2Very high171 Ų17166.4 Ų66.465%0.64532%0.319SS*.SBendtrans-76.753.9-179.1-65.4179.473.1173.73113.3T117 V118R85-T117 HydrophobicContact CG-CG2 4.25Å; R85-V118 WeakPolarHBondContact CG-O 3.48Å; R85-V118 PolarHBondContact N-O 3.28Å
86R91.5Very high95.4Very high146 Ų14663 Ų6355%0.55130%0.3SS*.  trans-82.1-21.8177.3-68-171.8176.5164.29.1114.3L63 E84L63-R86 HydrophobicContact CD2-CB 4.12Å; E84-R86 HydrophobicContact CB-CG 4.24Å; E84-R86 VanDerWaalsContact CD-CZ 3.44Å; E84-R86 HydrophobicContact CG-CG 3.94Å; E84-R86 PolarHBondContact O-N 2.65Å; E84-R86 IonicContact OE1-CZ 3.26Å; E84-R86 VanDerWaalsContact OE1-CZ 3.26Å; E84-R86 IonicContact OE1-NE 3.08Å; E84-R86 PolarHBondContact OE1-NE 3.12Å; E84-R86 IonicContact OE1-NH2 2.88Å; E84-R86 PolarHBondContact OE1-NH2 2.95Å; E84-R86 IonicContact OE2-CZ 3.02Å; E84-R86 IonicContact OE2-NE 3.12Å; E84-R86 PolarHBondContact OE2-NE 3.25Å; E84-R86 VanDerWaalsContact OE2-NE 3.08Å; E84-R86 IonicContact OE2-NH1 3.91Å; E84-R86 IonicContact OE2-NH2 2.67Å; E84-R86 PolarHBondContact OE2-NH2 3.18Å
87I92.7Very high95.5Very high57 Ų5761.8 Ų61.829%0.29230%0.302SS..SBendtrans-113.9150.6-173.8-58.2-175.9000109.1L63 K91 L95L63-I87 HydrophobicContact CD1-CD1 3.49Å; L63-I87 VanDerWaalsContact CD1-CD1 3.49Å; L63-I87 HydrophobicContact CD1-CG1 4.47Å; L63-I87 HydrophobicContact CD2-CD1 3.72Å; L63-I87 HydrophobicContact CD2-CG1 3.88Å; L63-I87 HydrophobicContact CG-CD1 4.18Å; I87-K91 HydrophobicContact CG2-CB 3.32Å; I87-K91 HydrophobicContact CG2-CD 3.64Å; I87-K91 HydrophobicContact CG2-CG 4.13Å; I87-L95 HydrophobicContact CD1-CD1 4.49Å
88S94.9Very high95.5Very high64 Ų6466 Ų6645%0.44832%0.32SS..  trans-56.9148.2172.763.90000112S90 K91 M92S88-S90 VanDerWaalsContact C-N 3.26Å; S88-S90 PolarHBondContact O-N 3.47Å; S88-K91 PolarHBondContact O-N 2.82Å; S88-M92 PolarHBondContact O-N 3.06Å
89S94.4Very high95.5Very high78 Ų7864.7 Ų64.755%0.54532%0.315SS..Hα-helixtrans-54.8-40.3178.348.70000112.3K91 M92 Y93S89-K91 PolarHBondContact O-N 3.41Å; S89-M92 VanDerWaalsContact O-CB 3.25Å; S89-M92 WeakPolarHBondContact O-CB 3.22Å; S89-M92 PolarHBondContact O-N 3.07Å; S89-M92 VanDerWaalsContact O-N 3.15Å; S89-Y93 WeakPolarHBondContact O-CD2 2.77Å; S89-Y93 PolarHBondContact O-N 3.4Å
90S96.2Very high95.5Very high89 Ų8967.2 Ų67.262%0.62233%0.326SS*.Hα-helixtrans-61.1-43.6179.7-45.20000113S88 M92 Y93 W94S88-S90 VanDerWaalsContact C-N 3.26Å; S88-S90 PolarHBondContact O-N 3.47Å; S90-M92 VanDerWaalsContact C-N 3.33Å; S90-Y93 PolarHBondContact O-N 2.61Å; S90-W94 WeakPolarHBondContact O-CB 3.48Å; S90-W94 PolarHBondContact O-N 3.49Å
91K95.2Very high95.6Very high136 Ų13672.6 Ų72.659%0.59135%0.349SS*.Hα-helixtrans-68.8-34.9175.9-76.9178.1-176.9-179.50111.3I87 S88 S89 W94 L95I87-K91 HydrophobicContact CG2-CB 3.32Å; I87-K91 HydrophobicContact CG2-CD 3.64Å; I87-K91 HydrophobicContact CG2-CG 4.13Å; S88-K91 PolarHBondContact O-N 2.82Å; S89-K91 PolarHBondContact O-N 3.41Å; K91-W94 PolarHBondContact O-N 3.36Å; K91-L95 WeakPolarHBondContact O-CB 3.41Å; K91-L95 WeakPolarHBondContact O-CG 3.34Å; K91-L95 PolarHBondContact O-N 2.9Å
92M94.9Very high95.6Very high18 Ų1875.4 Ų75.49%0.08936%0.362CS..Hα-helixtrans-59.4-52.6173.5-168.773.168.200111W60 V83 S88 S89 S90 W94 L95 I96W60-M92 HydrophobicContact CH2-SD 3.79Å; W60-M92 HydrophobicContact CZ3-SD 3.36Å; W60-M92 WeakPolarHBondContact CZ3-SD 3.44Å; V83-M92 HydrophobicContact CG1-CE 3.75Å; V83-M92 HydrophobicContact CG1-SD 4Å; S88-M92 PolarHBondContact O-N 3.06Å; S89-M92 VanDerWaalsContact O-CB 3.25Å; S89-M92 WeakPolarHBondContact O-CB 3.22Å; S89-M92 PolarHBondContact O-N 3.07Å; S89-M92 VanDerWaalsContact O-N 3.15Å; S90-M92 VanDerWaalsContact C-N 3.33Å; M92-W94 VanDerWaalsContact C-N 3.32Å; M92-W94 PolarHBondContact O-N 2.96Å; M92-L95 PolarHBondContact O-N 2.93Å; M92-I96 HydrophobicContact CG-CD1 4.33Å; M92-I96 VanDerWaalsContact O-CG1 3.3Å; M92-I96 WeakPolarHBondContact O-CG1 3.29Å; M92-I96 PolarHBondContact O-N 2.77Å
93Y96.1Very high95.7Very high172 Ų17273 Ų7368%0.67535%0.35SS*.Hα-helixtrans-62-38.6177.4-75.4-67.8000112.7S89 S90 I96 G97S89-Y93 WeakPolarHBondContact O-CD2 2.77Å; S89-Y93 PolarHBondContact O-N 3.4Å; S90-Y93 PolarHBondContact O-N 2.61Å; Y93-I96 HydrophobicContact CD1-CD1 4.39Å; Y93-I96 PolarHBondContact O-N 2.98Å; Y93-G97 PolarHBondContact O-N 2.91Å; Y93-G97 VanDerWaalsContact O-N 3.07Å
94W96.7Very high95.8Very high167 Ų16774.9 Ų74.963%0.63336%0.363SS*.Hα-helixtrans-61.9-45.8173.7179.584.2000112S90 K91 M92 I96 G97 F98S90-W94 WeakPolarHBondContact O-CB 3.48Å; S90-W94 PolarHBondContact O-N 3.49Å; K91-W94 PolarHBondContact O-N 3.36Å; M92-W94 VanDerWaalsContact C-N 3.32Å; M92-W94 PolarHBondContact O-N 2.96Å; W94-I96 VanDerWaalsContact C-N 3.35Å; W94-I96 PolarHBondContact O-N 3.48Å; W94-G97 PolarHBondContact O-N 3.32Å; W94-F98 HydrophobicContact CH2-CG 4.39Å; W94-F98 WeakPolarHBondContact O-CB 3.5Å; W94-F98 PolarHBondContact O-N 3.33Å
95L96Very high95.9Very high20 Ų2079.3 Ų79.311%0.10539%0.386CS..Hα-helixtrans-62.5-40.8176.7-78.3171.4000111.9I59 W60 L63 I87 K91 M92 F98 T99I59-L95 HydrophobicContact CG2-CD2 4.12Å; W60-L95 HydrophobicContact CE3-CD1 4.31Å; W60-L95 HydrophobicContact CH2-CB 3.65Å; W60-L95 HydrophobicContact CH2-CD1 4.4Å; W60-L95 HydrophobicContact CZ2-CB 3.57Å; W60-L95 HydrophobicContact CZ3-CB 4.29Å; W60-L95 HydrophobicContact CZ3-CD1 4.21Å; L63-L95 HydrophobicContact CD1-CD1 4.41Å; I87-L95 HydrophobicContact CD1-CD1 4.49Å; K91-L95 WeakPolarHBondContact O-CB 3.41Å; K91-L95 WeakPolarHBondContact O-CG 3.34Å; K91-L95 PolarHBondContact O-N 2.9Å; M92-L95 PolarHBondContact O-N 2.93Å; L95-F98 PolarHBondContact O-N 2.66Å; L95-T99 WeakPolarHBondContact O-CB 3.37Å; L95-T99 WeakPolarHBondContact O-CG2 3.38Å; L95-T99 PolarHBondContact O-N 2.8Å; L95-T99 PolarHBondContact O-OG1 2.82Å
96I96.8Very high96Very high32 Ų3275.1 Ų75.116%0.16438%0.376CS..Hα-helixtrans-56.5-55.5175-67.6166.3000109.8W60 M92 Y93 W94 F98 T99 E100 L113 L115W60-I96 HydrophobicContact CH2-CG1 3.89Å; W60-I96 HydrophobicContact CZ2-CG1 4.12Å; M92-I96 HydrophobicContact CG-CD1 4.33Å; M92-I96 VanDerWaalsContact O-CG1 3.3Å; M92-I96 WeakPolarHBondContact O-CG1 3.29Å; M92-I96 PolarHBondContact O-N 2.77Å; Y93-I96 HydrophobicContact CD1-CD1 4.39Å; Y93-I96 PolarHBondContact O-N 2.98Å; W94-I96 VanDerWaalsContact C-N 3.35Å; W94-I96 PolarHBondContact O-N 3.48Å; I96-F98 PolarHBondContact O-N 3.27Å; I96-T99 PolarHBondContact O-N 2.84Å; I96-T99 PolarHBondContact O-OG1 3.19Å; I96-E100 HydrophobicContact CG2-CG 4.43Å; I96-E100 WeakPolarHBondContact O-CG 3.3Å; I96-E100 PolarHBondContact O-N 3.44Å; I96-L113 HydrophobicContact CG2-CB 4.33Å; I96-L115 HydrophobicContact CD1-CD1 3.92Å; I96-L115 HydrophobicContact CG1-CD1 3.68Å
97G97.4Very high96.2Very high32 Ų3269.4 Ų69.433%0.3336%0.356SS..Hα-helixtrans-61.5-42.918000000113.1Y93 W94 T99 E101Y93-G97 PolarHBondContact O-N 2.91Å; Y93-G97 VanDerWaalsContact O-N 3.07Å; W94-G97 PolarHBondContact O-N 3.32Å; G97-T99 VanDerWaalsContact C-N 3.33Å; G97-T99 PolarHBondContact O-N 2.86Å; G97-E101 WeakPolarHBondContact O-CB 3.11Å; G97-E101 WeakPolarHBondContact O-CG 3.42Å; G97-E101 PolarHBondContact O-N 3.47Å
98F97.3Very high96.3Very high88 Ų8874.6 Ų74.639%0.38638%0.377SS..Hα-helixtrans-58.6-44.4176.2171.7-103.9000112.2I59 W94 L95 I96 L102I59-F98 HydrophobicContact CD1-CE1 4.36Å; I59-F98 HydrophobicContact CG1-CE1 4.43Å; I59-F98 HydrophobicContact CG2-CD1 4.04Å; I59-F98 HydrophobicContact CG2-CE1 3.96Å; W94-F98 HydrophobicContact CH2-CG 4.39Å; W94-F98 WeakPolarHBondContact O-CB 3.5Å; W94-F98 PolarHBondContact O-N 3.33Å; L95-F98 PolarHBondContact O-N 2.66Å; I96-F98 PolarHBondContact O-N 3.27Å; F98-L102 HydrophobicContact CE1-CD2 4.1Å; F98-L102 HydrophobicContact CZ-CD2 4.01Å; F98-L102 WeakPolarHBondContact O-CB 3.36Å; F98-L102 PolarHBondContact O-N 3.33Å
99T97.2Very high96.4Very high0 Ų072.5 Ų72.50%036%0.36CS..Hα-helixtrans-75.9-37.4-177.1470000113.4I59 L95 I96 G97 L103 L113I59-T99 HydrophobicContact CB-CG2 4.03Å; I59-T99 HydrophobicContact CD1-CG2 3.76Å; I59-T99 HydrophobicContact CG1-CG2 4.44Å; I59-T99 HydrophobicContact CG2-CG2 3.37Å; L95-T99 WeakPolarHBondContact O-CB 3.37Å; L95-T99 WeakPolarHBondContact O-CG2 3.38Å; L95-T99 PolarHBondContact O-N 2.8Å; L95-T99 PolarHBondContact O-OG1 2.82Å; I96-T99 PolarHBondContact O-N 2.84Å; I96-T99 PolarHBondContact O-OG1 3.19Å; G97-T99 VanDerWaalsContact C-N 3.33Å; G97-T99 PolarHBondContact O-N 2.86Å; T99-L103 WeakPolarHBondContact O-CB 3.41Å; T99-L103 VanDerWaalsContact O-CG 3.27Å; T99-L103 WeakPolarHBondContact O-CG 3.29Å; T99-L103 PolarHBondContact O-N 3.37Å; T99-L113 WeakPolarHBondContact OG1-CD1 3.35Å
100E97.6Very high96.5Very high54 Ų5471.4 Ų71.425%0.25235%0.351SS..Hα-helixtrans-61-49172.4-72.6-176160.900111.3I96 S104 K112 L113I96-E100 HydrophobicContact CG2-CG 4.43Å; I96-E100 WeakPolarHBondContact O-CG 3.3Å; I96-E100 PolarHBondContact O-N 3.44Å; E100-S104 WeakPolarHBondContact O-CB 2.88Å; E100-S104 PolarHBondContact O-N 3.12Å; E100-K112 WeakPolarHBondContact OE1-CA 3.39Å; E100-L113 HydrophobicContact CG-CB 4.29Å; E100-L113 HydrophobicContact CG-CD1 4.12Å; E100-L113 HydrophobicContact CG-CG 4.13Å; E100-L113 PolarHBondContact OE1-N 2.85Å
101E97.9Very high96.6Very high126 Ų12667.6 Ų67.659%0.58932%0.324SS*.Hα-helixtrans-63.7-47.2178.9-73.6-64157.900112.2G97 L103 S104 L105G97-E101 WeakPolarHBondContact O-CB 3.11Å; G97-E101 WeakPolarHBondContact O-CG 3.42Å; G97-E101 PolarHBondContact O-N 3.47Å; E101-L103 PolarHBondContact O-N 3.13Å; E101-S104 PolarHBondContact O-N 2.69Å; E101-L105 WeakPolarHBondContact O-CB 3.24Å; E101-L105 WeakPolarHBondContact O-CG 3.47Å; E101-L105 PolarHBondContact O-N 2.88Å
102L97.3Very high96.7Very high67 Ų6766.4 Ų66.435%0.35132%0.319SS..Hα-helixtrans-60.4-48.3179.9179.666.2000111.9I59 F98 S104 L105 L106I59-L102 HydrophobicContact CD1-CD2 3.81Å; F98-L102 HydrophobicContact CE1-CD2 4.1Å; F98-L102 HydrophobicContact CZ-CD2 4.01Å; F98-L102 WeakPolarHBondContact O-CB 3.36Å; F98-L102 PolarHBondContact O-N 3.33Å; L102-S104 VanDerWaalsContact C-N 3.35Å; L102-L105 PolarHBondContact O-N 3.42Å; L102-L106 WeakPolarHBondContact O-CB 3.31Å; L102-L106 PolarHBondContact O-N 3.05Å
103L97Very high96.8Very high0 Ų066.4 Ų66.40%032%0.319CS..Hα-helixtrans-69.6-34.9-179.7-68.3175.4000111.6V52 M55 I56 T99 E101 L106 L107 V111V52-L103 HydrophobicContact CG1-CD1 4.5Å; V52-L103 HydrophobicContact CG2-CD2 4.47Å; M55-L103 HydrophobicContact CB-CD2 4.29Å; M55-L103 HydrophobicContact SD-CD2 3.79Å; I56-L103 HydrophobicContact CD1-CD1 4.24Å; I56-L103 HydrophobicContact CG1-CD1 4.23Å; T99-L103 WeakPolarHBondContact O-CB 3.41Å; T99-L103 VanDerWaalsContact O-CG 3.27Å; T99-L103 WeakPolarHBondContact O-CG 3.29Å; T99-L103 PolarHBondContact O-N 3.37Å; E101-L103 PolarHBondContact O-N 3.13Å; L103-L106 PolarHBondContact O-N 2.86Å; L103-L107 WeakPolarHBondContact O-CB 3.37Å; L103-L107 PolarHBondContact O-N 3.13Å; L103-V111 HydrophobicContact CB-CB 4.16Å; L103-V111 HydrophobicContact CB-CG1 4.15Å; L103-V111 HydrophobicContact CB-CG2 3.79Å; L103-V111 HydrophobicContact CD1-CG1 4.12Å
104S97Very high96.8Very high38 Ų3862 Ų6227%0.26630%0.304SS..Hα-helixtrans-61.3-45.7174.6-176.80000111.8E100 E101 L102 L106 K108 Q109E100-S104 WeakPolarHBondContact O-CB 2.88Å; E100-S104 PolarHBondContact O-N 3.12Å; E101-S104 PolarHBondContact O-N 2.69Å; L102-S104 VanDerWaalsContact C-N 3.35Å; S104-L106 PolarHBondContact O-N 3.4Å; S104-K108 WeakPolarHBondContact O-CA 3.37Å; S104-K108 PolarHBondContact O-N 2.85Å; S104-Q109 VanDerWaalsContact CA-O 3.3Å; S104-Q109 WeakPolarHBondContact CA-O 3.38Å; S104-Q109 PolarHBondContact O-N 2.59Å; S104-Q109 PolarHBondContact OG-O 2.82Å
105L97.1Very high96.7Very high110 Ų11056 Ų5658%0.57629%0.285SS*.Hα-helixtrans-66.2-36.9176.7-72.1173.5000113E101 L102 K108E101-L105 WeakPolarHBondContact O-CB 3.24Å; E101-L105 WeakPolarHBondContact O-CG 3.47Å; E101-L105 PolarHBondContact O-N 2.88Å; L102-L105 PolarHBondContact O-N 3.42Å; L105-K108 WeakPolarHBondContact O-CD 3.45Å; L105-K108 VanDerWaalsContact O-CE 3.29Å; L105-K108 WeakPolarHBondContact O-CE 3.32Å; L105-K108 PolarHBondContact O-NZ 2.78Å
106L95.8Very high96.7Very high84 Ų8458.4 Ų58.444%0.4430%0.303SS..Hα-helixtrans-70.9-51.6-179.9-177.872.1000112I51 M55 L102 L103 S104I51-L106 HydrophobicContact CG2-CD2 3.93Å; M55-L106 HydrophobicContact CE-CD2 3.38Å; M55-L106 HydrophobicContact SD-CD2 3.39Å; M55-L106 WeakPolarHBondContact SD-CD2 3.38Å; L102-L106 WeakPolarHBondContact O-CB 3.31Å; L102-L106 PolarHBondContact O-N 3.05Å; L103-L106 PolarHBondContact O-N 2.86Å; S104-L106 PolarHBondContact O-N 3.4Å
107L94.4Very high96.6Very high25 Ų2560.3 Ų60.313%0.13132%0.316CS..Hα-helixtrans-87.6-7.1-172.9-63.3177.2000113.4E48 V52 L77 L103 Q109 V111E48-L107 HydrophobicContact CB-CD2 4.32Å; E48-L107 HydrophobicContact CG-CD2 3.97Å; V52-L107 HydrophobicContact CG2-CD1 3.69Å; L77-L107 HydrophobicContact CD2-CD1 3.69Å; L103-L107 WeakPolarHBondContact O-CB 3.37Å; L103-L107 PolarHBondContact O-N 3.13Å; L107-Q109 HydrophobicContact CB-CG 3.78Å; L107-Q109 PolarHBondContact O-N 3.28Å; L107-V111 HydrophobicContact CD1-CG2 4.47Å
108K95.8Very high96.5Very high167 Ų16759.7 Ų59.773%0.72631%0.306SS*.THydrogen-bonded Turntrans56.533.2-176-52.8-57.5-178.2-161.80112.9S104 L105S104-K108 WeakPolarHBondContact O-CA 3.37Å; S104-K108 PolarHBondContact O-N 2.85Å; L105-K108 WeakPolarHBondContact O-CD 3.45Å; L105-K108 VanDerWaalsContact O-CE 3.29Å; L105-K108 WeakPolarHBondContact O-CE 3.32Å; L105-K108 PolarHBondContact O-NZ 2.78Å
109Q95.4Very high96.3Very high19 Ų1958.1 Ų58.19%0.08931%0.309CS..SBendtrans-145.7144.8-179.173.7-171.5-102.900109.6N75 S104 L107 V111N75-Q109 WeakPolarHBondContact O-CB 3.4Å; S104-Q109 VanDerWaalsContact CA-O 3.3Å; S104-Q109 WeakPolarHBondContact CA-O 3.38Å; S104-Q109 PolarHBondContact O-N 2.59Å; S104-Q109 PolarHBondContact OG-O 2.82Å; L107-Q109 HydrophobicContact CB-CG 3.78Å; L107-Q109 PolarHBondContact O-N 3.28Å; Q109-V111 PolarHBondContact O-N 3.47Å
110P97.3Very high96Very high55 Ų5562.7 Ų62.736%0.35733%0.334SS..  trans-62.2127.5178.525.2-34.8000111.2N75 I76 L77N75-P110 WeakPolarHBondContact O-CD 3.34Å; I76-P110 HydrophobicContact CB-CG 4.39Å; I76-P110 HydrophobicContact CG1-CG 3.86Å; L77-P110 PolarHBondContact N-O 3.32Å
111V97.5Very high95.6Very high9 Ų965.4 Ų65.46%0.05535%0.345CS..EExtended strand (participates in β ladder)trans-111.8137177-175.50000109.4L77 V79 L103 L107 Q109L77-V111 HydrophobicContact CB-CG2 4.15Å; L77-V111 HydrophobicContact CD2-CG1 4.27Å; L77-V111 HydrophobicContact CD2-CG2 4.09Å; L77-V111 CarbonylContact O-C 3.56Å; L77-V111 WeakPolarHBondContact O-CA 3.35Å; V79-V111 HydrophobicContact CG2-CG1 4.39Å; L103-V111 HydrophobicContact CB-CB 4.16Å; L103-V111 HydrophobicContact CB-CG1 4.15Å; L103-V111 HydrophobicContact CB-CG2 3.79Å; L103-V111 HydrophobicContact CD1-CG1 4.12Å; L107-V111 HydrophobicContact CD1-CG2 4.47Å; Q109-V111 PolarHBondContact O-N 3.47Å
112K97.5Very high95.2Very high111 Ų11167.2 Ų67.248%0.48335%0.351SS..EExtended strand (participates in β ladder)trans-128.1132.8175.2-69.1-169.1173.2-171.10110.7L77 F78 V79 E100L77-K112 PolarHBondContact O-N 2.82Å; F78-K112 CarbonylContact C-O 3.58Å; F78-K112 WeakPolarHBondContact CA-O 3.47Å; F78-K112 HydrophobicContact CD1-CB 3.9Å; F78-K112 HydrophobicContact CD1-CD 4.49Å; F78-K112 HydrophobicContact CE1-CB 4.08Å; F78-K112 HydrophobicContact CE1-CD 3.83Å; F78-K112 HydrophobicContact CE1-CG 4.47Å; F78-K112 HydrophobicContact CZ-CD 4.38Å; V79-K112 PolarHBondContact N-O 2.98Å; E100-K112 WeakPolarHBondContact OE1-CA 3.39Å
113L97Very high94.9Very high18 Ų1869.8 Ų69.89%0.09436%0.361CS..EExtended strand (participates in β ladder)trans-97.7122.8176.1-77.2169.3000111.1I56 W60 V79 I96 T99 E100 L115I56-L113 HydrophobicContact CD1-CD2 4.26Å; W60-L113 HydrophobicContact CZ2-CD1 4.46Å; V79-L113 HydrophobicContact CB-CD2 3.71Å; V79-L113 HydrophobicContact CG1-CD2 3.98Å; V79-L113 CarbonylContact O-C 3.56Å; V79-L113 WeakPolarHBondContact O-CA 3.32Å; I96-L113 HydrophobicContact CG2-CB 4.33Å; T99-L113 WeakPolarHBondContact OG1-CD1 3.35Å; E100-L113 HydrophobicContact CG-CB 4.29Å; E100-L113 HydrophobicContact CG-CD1 4.12Å; E100-L113 HydrophobicContact CG-CG 4.13Å; E100-L113 PolarHBondContact OE1-N 2.85Å; L113-L115 HydrophobicContact CB-CG 4.37Å; L113-L115 HydrophobicContact CD2-CD2 4.42Å
114E96.4Very high94.6Very high79 Ų7971.4 Ų71.437%0.36937%0.369SS..EExtended strand (participates in β ladder)trans-107.685.7175.9-66.1-177.7168.200109K71 F78 V79 A80 G81K71-E114 IonicContact NZ-OE2 3.62Å; F78-E114 HydrophobicContact CD1-CG 4.31Å; F78-E114 VanDerWaalsContact CD1-OE1 3.25Å; F78-E114 WeakPolarHBondContact CD1-OE1 3.38Å; V79-E114 PolarHBondContact O-N 3.07Å; A80-E114 VanDerWaalsContact CA-O 3.24Å; A80-E114 WeakPolarHBondContact CA-O 3.25Å; A80-E114 HydrophobicContact CB-CB 3.97Å; G81-E114 PolarHBondContact N-O 2.82Å
115L95.5Very high94.4Very high42 Ų4271.1 Ų71.122%0.2237%0.366CS..EExtended strand (participates in β ladder)trans-95.1130.8-177.4-55.2-176.6000111.5W60 F64 G81 V83 I96 L113W60-L115 HydrophobicContact CH2-CD1 3.5Å; W60-L115 VanDerWaalsContact CH2-CD1 3.5Å; W60-L115 HydrophobicContact CZ2-CD1 3.99Å; W60-L115 HydrophobicContact CZ3-CD1 3.99Å; F64-L115 HydrophobicContact CE1-CD2 3.63Å; F64-L115 HydrophobicContact CZ-CD2 3.6Å; G81-L115 WeakPolarHBondContact O-CA 3.31Å; V83-L115 HydrophobicContact CG2-CB 4.48Å; V83-L115 HydrophobicContact CG2-CD1 4.21Å; V83-L115 HydrophobicContact CG2-CD2 4.04Å; V83-L115 HydrophobicContact CG2-CG 4.47Å; I96-L115 HydrophobicContact CD1-CD1 3.92Å; I96-L115 HydrophobicContact CG1-CD1 3.68Å; L113-L115 HydrophobicContact CB-CG 4.37Å; L113-L115 HydrophobicContact CD2-CD2 4.42Å
116S95.5Very high94.2Very high70 Ų7071.4 Ų71.449%0.4936%0.363SS..EExtended strand (participates in β ladder)trans-103.9138.2165.4-175.50000109.3G81 I82 V83G81-S116 PolarHBondContact O-N 3.11Å; I82-S116 CarbonylContact C-O 3.55Å; I82-S116 VanDerWaalsContact CA-O 3.32Å; I82-S116 WeakPolarHBondContact CA-O 3.42Å; V83-S116 PolarHBondContact N-O 3Å
117T95.2Very high94Very high72 Ų7273 Ų7344%0.44237%0.366SS..EExtended strand (participates in β ladder)trans-104.8138.4-177.661.60000111.9V83 R85V83-T117 CarbonylContact O-C 3.58Å; V83-T117 VanDerWaalsContact O-CA 3.3Å; V83-T117 WeakPolarHBondContact O-CA 3.47Å; R85-T117 HydrophobicContact CG-CG2 4.25Å
118V95.4Very high93.8Very high19 Ų1975.9 Ų75.912%0.11538%0.376CS..EExtended strand (participates in β ladder)trans-121.5143.4174.9164.70000109.4I82 V83 R85 D120 E123 I124I82-V118 HydrophobicContact CG2-CB 4.12Å; I82-V118 HydrophobicContact CG2-CG2 3.5Å; V83-V118 PolarHBondContact O-N 2.83Å; R85-V118 WeakPolarHBondContact CG-O 3.48Å; R85-V118 PolarHBondContact N-O 3.28Å; V118-D120 WeakPolarHBondContact CG1-O 3.36Å; V118-E123 HydrophobicContact CG1-CB 3.72Å; V118-E123 HydrophobicContact CG1-CG 4.18Å; V118-I124 HydrophobicContact CB-CD1 4.03Å; V118-I124 HydrophobicContact CG1-CD1 4.01Å; V118-I124 HydrophobicContact CG1-CG1 4.31Å; V118-I124 HydrophobicContact CG2-CD1 3.87Å; V118-I124 HydrophobicContact CG2-CG1 4.2Å
119A93.4Very high93.5Very high55 Ų5574.3 Ų74.346%0.45537%0.374SS..SBendtrans-70.3-52.7-177.700000110.3E123A119-E123 WeakPolarHBondContact CB-OE1 3.09Å
120D91Very high93.4Very high97 Ų9777.1 Ų77.152%0.51939%0.388SS..  trans-124141.5179.1-75.7-31.8000113V118 K122 E123V118-D120 WeakPolarHBondContact CG1-O 3.36Å; D120-K122 PolarHBondContact O-N 2.63Å; D120-E123 PolarHBondContact N-OE1 3.47Å; D120-E123 WeakPolarHBondContact O-CB 3.46Å; D120-E123 PolarHBondContact O-N 3.1Å
121K89.1Confident93.2Very high110 Ų11078.3 Ų78.348%0.47839%0.39SS..G310 helixtrans-53.2-25.2174174.5163.5-173.6-176.30113.8V65 E123 I124V65-K121 HydrophobicContact CG1-CB 4.22Å; V65-K121 HydrophobicContact CG1-CD 4.23Å; V65-K121 HydrophobicContact CG1-CG 3.69Å; V65-K121 HydrophobicContact CG2-CB 4.46Å; K121-E123 PolarHBondContact O-N 3.22Å; K121-I124 PolarHBondContact O-N 2.88Å
122K89.6Confident92.9Very high164 Ų16482.1 Ų82.171%0.71341%0.409SS*.G310 helixtrans-63.6-26.5178.6-66-177.6-178176.30113.2D120 I124 V125D120-K122 PolarHBondContact O-N 2.63Å; K122-I124 PolarHBondContact O-N 3.14Å; K122-V125 PolarHBondContact O-N 3.07Å
123E89.8Confident92.7Very high122 Ų12280.4 Ų80.457%0.5740%0.404SS*.G310 helixtrans-68.5-22.1-178.9-66.7174.7-14000113.3V118 A119 D120 K121V118-E123 HydrophobicContact CG1-CB 3.72Å; V118-E123 HydrophobicContact CG1-CG 4.18Å; A119-E123 WeakPolarHBondContact CB-OE1 3.09Å; D120-E123 PolarHBondContact N-OE1 3.47Å; D120-E123 WeakPolarHBondContact O-CB 3.46Å; D120-E123 PolarHBondContact O-N 3.1Å; K121-E123 PolarHBondContact O-N 3.22Å
124I91.9Very high92.4Very high33 Ų3384.3 Ų84.317%0.16942%0.424CS..G310 helixtrans-95.9-4-177.8-63.1157.7000111.6T11 V65 I82 V118 K121 K122 F126T11-I124 HydrophobicContact CG2-CG2 3.93Å; V65-I124 HydrophobicContact CB-CD1 3.47Å; V65-I124 VanDerWaalsContact CB-CD1 3.47Å; V65-I124 HydrophobicContact CG1-CB 3.97Å; V65-I124 HydrophobicContact CG1-CD1 3.32Å; V65-I124 HydrophobicContact CG1-CG1 4.24Å; V65-I124 HydrophobicContact CG1-CG2 4.19Å; V65-I124 HydrophobicContact CG2-CD1 4.14Å; I82-I124 HydrophobicContact CB-CD1 4.22Å; I82-I124 HydrophobicContact CG2-CD1 3.52Å; V118-I124 HydrophobicContact CB-CD1 4.03Å; V118-I124 HydrophobicContact CG1-CD1 4.01Å; V118-I124 HydrophobicContact CG1-CG1 4.31Å; V118-I124 HydrophobicContact CG2-CD1 3.87Å; V118-I124 HydrophobicContact CG2-CG1 4.2Å; K121-I124 PolarHBondContact O-N 2.88Å; K122-I124 PolarHBondContact O-N 3.14Å; I124-F126 PolarHBondContact O-N 3.24Å
125V92.9Very high92.1Very high32 Ų3284.7 Ų84.719%0.19443%0.427CS..EExtended strand (participates in β ladder)trans-71.4119.4-179-176.90000109.6P9 K122 Y128P9-V125 HydrophobicContact CB-CB 4.38Å; P9-V125 HydrophobicContact CB-CG1 3.71Å; P9-V125 HydrophobicContact CB-CG2 3.69Å; K122-V125 PolarHBondContact O-N 3.07Å; V125-Y128 HydrophobicContact CG1-CD1 4.43Å; V125-Y128 HydrophobicContact CG1-CD2 4.17Å; V125-Y128 HydrophobicContact CG1-CE1 4.01Å; V125-Y128 HydrophobicContact CG1-CE2 3.69Å
126F92.4Very high91.9Very high116 Ų11687.7 Ų87.751%0.50944%0.442SS..EExtended strand (participates in β ladder)trans-90.4-44.2179.5177.3-108.5000111.9L10 Y12 A15 I124L10-F126 PolarHBondContact O-N 3.27Å; Y12-F126 HydrophobicContact CD2-CD1 4.2Å; Y12-F126 AromaticContact CD2-CD2 3.88Å; Y12-F126 HydrophobicContact CD2-CD2 3.88Å; Y12-F126 HydrophobicContact CD2-CE1 4.17Å; Y12-F126 AromaticContact CD2-CE2 3.86Å; Y12-F126 HydrophobicContact CD2-CE2 3.86Å; Y12-F126 HydrophobicContact CD2-CG 4.05Å; Y12-F126 HydrophobicContact CD2-CZ 4.01Å; Y12-F126 HydrophobicContact CE2-CE2 4.32Å; Y12-F126 HydrophobicContact CE2-CZ 4.23Å; A15-F126 HydrophobicContact CB-CD1 3.82Å; A15-F126 HydrophobicContact CB-CE1 4.37Å; I124-F126 PolarHBondContact O-N 3.24Å
127K91.5Very high91.6Very high118 Ų11889.1 Ų89.151%0.51344%0.439SS..EExtended strand (participates in β ladder)trans-145.6145.2-178.3-178.2174.8177.5-173.80110.4L10L10-K127 PolarHBondContact N-O 3.28Å; L10-K127 PolarHBondContact O-N 3.29Å
128Y90.1Very high91.3Very high85 Ų8590.5 Ų90.533%0.33344%0.438SS..EExtended strand (participates in β ladder)trans-98.6135.9165.8-65.4-88.6000109.1C3 C7 P9 V125C3-Y128 HydrophobicContact CB-CD1 4.15Å; C3-Y128 HydrophobicContact CB-CG 4.35Å; C3-Y128 VanDerWaalsContact SG-CB 3.53Å; C7-Y128 HydrophobicContact CB-CD1 4.03Å; P9-Y128 HydrophobicContact CB-CD1 4.15Å; P9-Y128 HydrophobicContact CB-CE1 3.82Å; V125-Y128 HydrophobicContact CG1-CD1 4.43Å; V125-Y128 HydrophobicContact CG1-CD2 4.17Å; V125-Y128 HydrophobicContact CG1-CE1 4.01Å; V125-Y128 HydrophobicContact CG1-CE2 3.69Å
129I89.1Confident91Very high135 Ų13597 Ų9769%0.69247%0.468SS*.  trans-114.40171.4-58.4-170.8000108.6C7 L8 L10C7-I129 CarbonylContact C-O 3.49Å; C7-I129 VanDerWaalsContact CA-O 3.26Å; C7-I129 WeakPolarHBondContact CA-O 3.26Å; L8-I129 PolarHBondContact N-O 3.12Å; L8-I129 PolarHBondContact O-N 2.02Å; L10-I129 HydrophobicContact CD1-CD1 3.34Å; L10-I129 HydrophobicContact CD1-CG1 3.82Å; L10-I129 HydrophobicContact CG-CD1 4.47Å

Retrieved 129 of 129 residues in 367.4 ms (Link to these results)

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