A0A077ZGG7_TRITR Loading...

PfkB domain containing protein

AlphaFold DB , UniProt , Accession A0A077ZGG7, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 149 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
1M97.4Very high97.5Very high14 Ų1448.7 Ų48.77%0.06924%0.241CC..  0121.30-179.659.779.200109E24 V25 T55 L59 S82 Q83 S84M1-E24 HydrophobicContact CG-CB 4.49Å; M1-E24 HydrophobicContact SD-CB 3.88Å; M1-V25 VanDerWaalsContact SD-C 3.56Å; M1-T55 HydrophobicContact CB-CG2 3.47Å; M1-T55 VanDerWaalsContact CB-CG2 3.47Å; M1-T55 HydrophobicContact CG-CG2 4.32Å; M1-L59 HydrophobicContact CB-CD1 4.46Å; M1-L59 HydrophobicContact CB-CD2 4.16Å; M1-L59 HydrophobicContact CB-CG 4.35Å; M1-L59 HydrophobicContact CE-CD2 4.18Å; M1-L59 HydrophobicContact CE-CG 4.26Å; M1-S82 PolarHBondContact N-O 3.36Å; M1-Q83 HydrophobicContact CB-CB 4.33Å; M1-Q83 CarbonylContact O-C 3.54Å; M1-Q83 WeakPolarHBondContact O-CA 3.35Å; M1-Q83 WeakPolarHBondContact O-CB 3.29Å; M1-S84 PolarHBondContact O-N 2.69Å
2D97.9Very high97.3Very high35 Ų3555.9 Ų55.919%0.18729%0.29CS..EExtended strand (participates in β ladder)trans-96.1118.3177.7-73.4-11.8000109.5I4 E24 V25 S84 I86D2-I4 HydrophobicContact CB-CG1 4.39Å; D2-E24 WeakPolarHBondContact O-CA 3.44Å; D2-V25 HydrophobicContact CB-CG2 4.21Å; D2-V25 PolarHBondContact N-O 3.45Å; D2-V25 PolarHBondContact O-N 2.94Å; D2-S84 WeakPolarHBondContact OD1-CB 3.32Å; D2-S84 PolarHBondContact OD1-OG 2.78Å; D2-I86 HydrophobicContact CB-CD1 3.77Å
3R98.2Very high97.1Very high56 Ų5663.1 Ų63.121%0.21132%0.321CS..EExtended strand (participates in β ladder)trans-99.3105.7175.8-63.3-166178.1102.411.3109.2Y5 Y22 E24 S84 I86R3-Y5 HydrophobicContact CB-CE2 4.17Å; R3-Y22 HydrophobicContact CB-CE2 4.08Å; R3-Y22 WeakPolarHBondContact CD-OH 3.17Å; R3-E24 WeakPolarHBondContact CD-OE1 3.41Å; R3-E24 HydrophobicContact CG-CG 4.16Å; R3-E24 IonicContact NE-OE1 2.85Å; R3-E24 PolarHBondContact NE-OE1 3.1Å; R3-S84 WeakPolarHBondContact CB-O 3.27Å; R3-S84 PolarHBondContact N-O 2.73Å; R3-I86 PolarHBondContact O-N 3.27Å
4I98.3Very high97Very high23 Ų2367.4 Ų67.412%0.11836%0.359CS..EExtended strand (participates in β ladder)trans-105.4120.3-169.7-48179.1000110D2 Y6 Y22 T23 V25 I86 V88D2-I4 HydrophobicContact CB-CG1 4.39Å; I4-Y6 HydrophobicContact CB-CE2 4.43Å; I4-Y6 HydrophobicContact CG2-CD2 4.42Å; I4-Y6 HydrophobicContact CG2-CE1 4.25Å; I4-Y6 HydrophobicContact CG2-CE2 3.92Å; I4-Y22 WeakPolarHBondContact O-CA 3.36Å; I4-Y22 WeakPolarHBondContact O-CD2 3.46Å; I4-T23 HydrophobicContact CB-CG2 3.95Å; I4-T23 HydrophobicContact CD1-CG2 4.25Å; I4-T23 HydrophobicContact CG1-CG2 4.36Å; I4-T23 PolarHBondContact N-O 3.26Å; I4-T23 PolarHBondContact O-N 3.13Å; I4-V25 HydrophobicContact CD1-CG2 3.77Å; I4-V25 HydrophobicContact CG1-CG2 4.49Å; I4-I86 CarbonylContact C-O 3.55Å; I4-I86 WeakPolarHBondContact CA-O 3.49Å; I4-I86 HydrophobicContact CG1-CB 4.19Å; I4-I86 HydrophobicContact CG1-CD1 4.3Å; I4-I86 HydrophobicContact CG2-CB 4.45Å; I4-I86 HydrophobicContact CG2-CG2 4.32Å; I4-V88 HydrophobicContact CG2-CG2 3.77Å
5Y98.4Very high96.7Very high94 Ų9466.9 Ų66.937%0.36938%0.377SS..EExtended strand (participates in β ladder)trans-106.6116.8175.1-61.7-94.2000109R3 A19 Y22 I86 M87 V88R3-Y5 HydrophobicContact CB-CE2 4.17Å; Y5-A19 HydrophobicContact CD1-CB 4.08Å; Y5-Y22 AromaticContact CD1-CD2 3.72Å; Y5-Y22 HydrophobicContact CD1-CD2 3.72Å; Y5-Y22 HydrophobicContact CD1-CE2 4.31Å; Y5-Y22 HydrophobicContact CD2-CD2 4.36Å; Y5-Y22 HydrophobicContact CD2-CE2 4.41Å; Y5-Y22 AromaticContact CE1-CD2 3.5Å; Y5-Y22 HydrophobicContact CE1-CD2 3.5Å; Y5-Y22 AromaticContact CE1-CE2 3.73Å; Y5-Y22 HydrophobicContact CE1-CE2 3.73Å; Y5-Y22 HydrophobicContact CE1-CG 4.44Å; Y5-Y22 HydrophobicContact CE2-CD2 4.17Å; Y5-Y22 AromaticContact CE2-CE2 3.84Å; Y5-Y22 HydrophobicContact CE2-CE2 3.84Å; Y5-Y22 HydrophobicContact CG-CD2 4.15Å; Y5-Y22 AromaticContact CZ-CD2 3.75Å; Y5-Y22 AromaticContact CZ-CE2 3.47Å; Y5-Y22 VanDerWaalsContact CZ-CE2 3.47Å; Y5-I86 PolarHBondContact N-O 3.49Å; Y5-M87 VanDerWaalsContact O-CA 3.31Å; Y5-M87 WeakPolarHBondContact O-CA 3.36Å; Y5-V88 PolarHBondContact O-N 3.09Å
6Y98.5Very high96.6Very high90 Ų9075.3 Ų75.335%0.35341%0.408SS..EExtended strand (participates in β ladder)trans-87122.8176.3-63-87.6000109.3I4 A19 R20 N21 T23 V88I4-Y6 HydrophobicContact CB-CE2 4.43Å; I4-Y6 HydrophobicContact CG2-CD2 4.42Å; I4-Y6 HydrophobicContact CG2-CE1 4.25Å; I4-Y6 HydrophobicContact CG2-CE2 3.92Å; Y6-A19 CarbonylContact O-C 3.44Å; Y6-A19 VanDerWaalsContact O-CA 3.28Å; Y6-A19 WeakPolarHBondContact O-CA 3.4Å; Y6-R20 PolarHBondContact O-N 3.17Å; Y6-N21 HydrophobicContact CD2-CB 3.82Å; Y6-N21 HydrophobicContact CG-CB 4.31Å; Y6-N21 PolarHBondContact N-O 2.93Å; Y6-T23 HydrophobicContact CE2-CG2 4.01Å; Y6-V88 CarbonylContact C-O 3.56Å; Y6-V88 WeakPolarHBondContact CA-O 3.44Å; Y6-V88 HydrophobicContact CD1-CB 4.11Å; Y6-V88 HydrophobicContact CD1-CG1 4.49Å; Y6-V88 HydrophobicContact CE1-CB 4.32Å
7V97.7Very high96.6Very high11 Ų1176.8 Ų76.87%0.06741%0.407CS..  trans-121.8163.1-175.6-66.40000110.8G9 L10 M87 V88 D89V7-G9 WeakPolarHBondContact CG2-O 3.48Å; V7-L10 HydrophobicContact CG2-CD2 4.35Å; V7-M87 HydrophobicContact CG2-CB 4.49Å; V7-V88 PolarHBondContact N-O 3.03Å; V7-D89 HydrophobicContact CG2-CB 4.34Å; V7-D89 WeakPolarHBondContact O-CA 3.36Å
8E97Very high96.5Very high105 Ų10579.4 Ų79.449%0.49143%0.426SS..SBendtrans-67.4-46.3175.3175.967.5132.700111.5R20 T90E8-R20 IonicContact OE1-CZ 3.6Å; E8-R20 IonicContact OE1-NH1 2.73Å; E8-R20 IonicContact OE1-NH2 3.78Å; E8-R20 PolarHBondContact OE1-NH2 2.64Å; E8-R20 IonicContact OE2-CZ 2.87Å; E8-R20 IonicContact OE2-NE 3.85Å; E8-R20 IonicContact OE2-NH1 2.95Å; E8-R20 PolarHBondContact OE2-NH1 3.16Å; E8-R20 IonicContact OE2-NH2 2.6Å; E8-R20 PolarHBondContact OE2-NH2 2.92Å; E8-T90 PolarHBondContact O-OG1 3.27Å; E8-T90 WeakPolarHBondContact OE2-CG2 3.29Å
9G96.3Very high96.6Very high35 Ų3577.2 Ų77.236%0.36142%0.42SS..SBendtrans-143.9149.2176.300000109.7V7V7-G9 WeakPolarHBondContact CG2-O 3.48Å
10L97.5Very high96.6Very high42 Ų4281.1 Ų81.122%0.2243%0.428CS..  trans-63.7141.4176.4-68.2174.1000110.8V7 T12 M87 D89 E93 I95V7-L10 HydrophobicContact CG2-CD2 4.35Å; L10-T12 PolarHBondContact O-N 2.77Å; L10-M87 HydrophobicContact CD2-CB 3.87Å; L10-D89 HydrophobicContact CD2-CB 4.4Å; L10-D89 HydrophobicContact CG-CB 3.98Å; L10-E93 HydrophobicContact CD1-CB 3.71Å; L10-I95 HydrophobicContact CB-CD1 4.07Å; L10-I95 HydrophobicContact CD1-CD1 4.3Å; L10-I95 HydrophobicContact CD1-CG1 4.03Å; L10-I95 HydrophobicContact CD2-CB 4.4Å; L10-I95 HydrophobicContact CD2-CD1 4.18Å; L10-I95 HydrophobicContact CD2-CG1 4.09Å; L10-I95 HydrophobicContact CG-CD1 4.41Å; L10-I95 HydrophobicContact CG-CG1 4.48Å
11P95.3Very high96.7Very high31 Ų3182 Ų8220%0.20143%0.434CS..  trans-65.3132.317728.6-35.8000110.9Y17 M87 I95P11-Y17 HydrophobicContact CB-CD1 4.36Å; P11-Y17 HydrophobicContact CB-CD2 3.97Å; P11-Y17 HydrophobicContact CB-CE1 3.89Å; P11-Y17 HydrophobicContact CB-CE2 3.47Å; P11-Y17 VanDerWaalsContact CB-CE2 3.47Å; P11-Y17 HydrophobicContact CB-CG 4.4Å; P11-Y17 VanDerWaalsContact CB-CZ 3.4Å; P11-M87 HydrophobicContact CG-CE 3.89Å; P11-M87 HydrophobicContact CG-SD 3.72Å; P11-I95 HydrophobicContact CG-CD1 4.32Å
12T95.2Very high96.7Very high135 Ų13585.8 Ų85.883%0.82845%0.448SS*.  trans-109.3-12.5175.154.20000113L10L10-T12 PolarHBondContact O-N 2.77Å
13E94.8Very high96.7Very high149 Ų14986.4 Ų86.470%0.69645%0.453SS*.SBendtrans-144.5168.6-178.661.6-175167.500110.9Y17E13-Y17 PolarHBondContact O-OH 3.17Å
14S95.1Very high96.7Very high123 Ų12387.8 Ų87.886%0.8646%0.462SS*.SBendtrans-63.5140.5175.256.10000110.8
15G93.3Very high96.6Very high61 Ų6189 Ų8963%0.62947%0.47SS*.SBendtrans168.5-179.5-178.300000112.7
16K95.4Very high96.4Very high200 Ų20085.8 Ų85.887%0.8747%0.465SS*.  trans-106.9119.2172.8-176.8178179.5179.40108.7
17Y95.3Very high96.1Very high101 Ų10182.3 Ų82.340%0.39646%0.457SS..  trans-109.9149.2179-58.9-96.7000109.2P11 E13P11-Y17 HydrophobicContact CB-CD1 4.36Å; P11-Y17 HydrophobicContact CB-CD2 3.97Å; P11-Y17 HydrophobicContact CB-CE1 3.89Å; P11-Y17 HydrophobicContact CB-CE2 3.47Å; P11-Y17 VanDerWaalsContact CB-CE2 3.47Å; P11-Y17 HydrophobicContact CB-CG 4.4Å; P11-Y17 VanDerWaalsContact CB-CZ 3.4Å; E13-Y17 PolarHBondContact O-OH 3.17Å
18V96.1Very high95.9Very high124 Ų12483.4 Ų83.475%0.75247%0.471SS*.  trans-108.5120.2177.4179.60000108.1
19A97.7Very high95.8Very high37 Ų3780.5 Ų80.531%0.30646%0.461SS..  trans-72.2138.8172.700000110.1Y5 Y6Y5-A19 HydrophobicContact CD1-CB 4.08Å; Y6-A19 CarbonylContact O-C 3.44Å; Y6-A19 VanDerWaalsContact O-CA 3.28Å; Y6-A19 WeakPolarHBondContact O-CA 3.4Å
20R97.3Very high95.9Very high155 Ų15579.8 Ų79.859%0.58545%0.452SS*.SBendtrans-76.3-28.8171.9-68.2-175.7164.7174.1-0.5112.5Y6 E8Y6-R20 PolarHBondContact O-N 3.17Å; E8-R20 IonicContact OE1-CZ 3.6Å; E8-R20 IonicContact OE1-NH1 2.73Å; E8-R20 IonicContact OE1-NH2 3.78Å; E8-R20 PolarHBondContact OE1-NH2 2.64Å; E8-R20 IonicContact OE2-CZ 2.87Å; E8-R20 IonicContact OE2-NE 3.85Å; E8-R20 IonicContact OE2-NH1 2.95Å; E8-R20 PolarHBondContact OE2-NH1 3.16Å; E8-R20 IonicContact OE2-NH2 2.6Å; E8-R20 PolarHBondContact OE2-NH2 2.92Å
21N98.1Very high95.9Very high102 Ų10278.6 Ų78.655%0.54545%0.448SS..EExtended strand (participates in β ladder)trans-155.1162.1177-164.715.7000110.4Y6Y6-N21 HydrophobicContact CD2-CB 3.82Å; Y6-N21 HydrophobicContact CG-CB 4.31Å; Y6-N21 PolarHBondContact N-O 2.93Å
22Y98Very high96Very high92 Ų9281.1 Ų81.136%0.36146%0.463SS..EExtended strand (participates in β ladder)trans-140.6138.1178.7173.4-108.5000110.6R3 I4 Y5 E24R3-Y22 HydrophobicContact CB-CE2 4.08Å; R3-Y22 WeakPolarHBondContact CD-OH 3.17Å; I4-Y22 WeakPolarHBondContact O-CA 3.36Å; I4-Y22 WeakPolarHBondContact O-CD2 3.46Å; Y5-Y22 AromaticContact CD1-CD2 3.72Å; Y5-Y22 HydrophobicContact CD1-CD2 3.72Å; Y5-Y22 HydrophobicContact CD1-CE2 4.31Å; Y5-Y22 HydrophobicContact CD2-CD2 4.36Å; Y5-Y22 HydrophobicContact CD2-CE2 4.41Å; Y5-Y22 AromaticContact CE1-CD2 3.5Å; Y5-Y22 HydrophobicContact CE1-CD2 3.5Å; Y5-Y22 AromaticContact CE1-CE2 3.73Å; Y5-Y22 HydrophobicContact CE1-CE2 3.73Å; Y5-Y22 HydrophobicContact CE1-CG 4.44Å; Y5-Y22 HydrophobicContact CE2-CD2 4.17Å; Y5-Y22 AromaticContact CE2-CE2 3.84Å; Y5-Y22 HydrophobicContact CE2-CE2 3.84Å; Y5-Y22 HydrophobicContact CG-CD2 4.15Å; Y5-Y22 AromaticContact CZ-CD2 3.75Å; Y5-Y22 AromaticContact CZ-CE2 3.47Å; Y5-Y22 VanDerWaalsContact CZ-CE2 3.47Å; Y22-E24 HydrophobicContact CE1-CG 3.81Å; Y22-E24 HydrophobicContact CE2-CG 4.49Å; Y22-E24 VanDerWaalsContact OH-CD 3.27Å; Y22-E24 WeakPolarHBondContact OH-CG 3.27Å; Y22-E24 PolarHBondContact OH-OE1 3.32Å
23T97.7Very high96.2Very high48 Ų4876 Ų7629%0.29444%0.435SS..EExtended strand (participates in β ladder)trans-144.9149.7169.7-165.80000111.3I4 Y6 V25I4-T23 HydrophobicContact CB-CG2 3.95Å; I4-T23 HydrophobicContact CD1-CG2 4.25Å; I4-T23 HydrophobicContact CG1-CG2 4.36Å; I4-T23 PolarHBondContact N-O 3.26Å; I4-T23 PolarHBondContact O-N 3.13Å; Y6-T23 HydrophobicContact CE2-CG2 4.01Å; T23-V25 HydrophobicContact CG2-CG1 4.29Å
24E97.5Very high96.3Very high86 Ų8669.4 Ų69.440%0.40241%0.405SS..EExtended strand (participates in β ladder)trans-107.5132.8165.2-60-164.3154.800108.3M1 D2 R3 Y22M1-E24 HydrophobicContact CG-CB 4.49Å; M1-E24 HydrophobicContact SD-CB 3.88Å; D2-E24 WeakPolarHBondContact O-CA 3.44Å; R3-E24 WeakPolarHBondContact CD-OE1 3.41Å; R3-E24 HydrophobicContact CG-CG 4.16Å; R3-E24 IonicContact NE-OE1 2.85Å; R3-E24 PolarHBondContact NE-OE1 3.1Å; Y22-E24 HydrophobicContact CE1-CG 3.81Å; Y22-E24 HydrophobicContact CE2-CG 4.49Å; Y22-E24 VanDerWaalsContact OH-CD 3.27Å; Y22-E24 WeakPolarHBondContact OH-CG 3.27Å; Y22-E24 PolarHBondContact OH-OE1 3.32Å
25V96.5Very high96.5Very high48 Ų4864.9 Ų64.929%0.29137%0.373SS..EExtended strand (participates in β ladder)trans-143.1153.3176.9-65.20000110.6M1 D2 I4 T23M1-V25 VanDerWaalsContact SD-C 3.56Å; D2-V25 HydrophobicContact CB-CG2 4.21Å; D2-V25 PolarHBondContact N-O 3.45Å; D2-V25 PolarHBondContact O-N 2.94Å; I4-V25 HydrophobicContact CD1-CG2 3.77Å; I4-V25 HydrophobicContact CG1-CG2 4.49Å; T23-V25 HydrophobicContact CG2-CG1 4.29Å
26G94.8Very high96.7Very high26 Ų2664.3 Ų64.327%0.26836%0.362SS..  trans-57.9149.3167.400000110E62G26-E62 WeakPolarHBondContact CA-OE2 3.41Å; G26-E62 PolarHBondContact N-OE1 3.43Å; G26-E62 PolarHBondContact N-OE2 3.09Å
27G92.6Very high96.9Very high17 Ų1756.4 Ų56.418%0.17533%0.334CS..  trans-156.5-172.6-177.800000110.2A31G27-A31 WeakPolarHBondContact O-CB 3.37Å
28G93Very high97Very high35 Ų3552.4 Ų52.436%0.36132%0.321SS..  trans93.2136.7-172.800000111.5A30 A31 T32G28-A30 PolarHBondContact O-N 3.43Å; G28-A31 PolarHBondContact O-N 3.19Å; G28-T32 WeakPolarHBondContact O-CB 3.37Å; G28-T32 PolarHBondContact O-N 3.18Å; G28-T32 PolarHBondContact O-OG1 2.94Å
29P95.5Very high97.1Very high44 Ų4455.3 Ų55.329%0.28632%0.319SS..Hα-helixtrans-58.3-51.3-174.3-21.930.3000113.2A31 T32 A33 D125 D149P29-A31 PolarHBondContact O-N 3.04Å; P29-T32 PolarHBondContact O-N 2.94Å; P29-A33 WeakPolarHBondContact O-CB 3.36Å; P29-A33 PolarHBondContact O-N 3.43Å; P29-D125 HydrophobicContact CB-CB 3.79Å; P29-D125 WeakPolarHBondContact CD-OD2 3.28Å; P29-D125 HydrophobicContact CG-CB 4.25Å; P29-D149 WeakPolarHBondContact CB-OD2 3.25Å
30A97.5Very high97.1Very high20 Ų2061 Ų6117%0.16534%0.344CS..Hα-helixtrans-61.3-41.7-179.900000113.2G28 A33 A34 F46 D125G28-A30 PolarHBondContact O-N 3.43Å; A30-A33 PolarHBondContact O-N 2.86Å; A30-A34 WeakPolarHBondContact O-CB 3.17Å; A30-A34 PolarHBondContact O-N 2.79Å; A30-F46 HydrophobicContact CB-CE2 4.1Å; A30-D125 HydrophobicContact CB-CB 4.36Å; A30-D125 WeakPolarHBondContact CB-OD2 3.48Å; A30-D125 PolarHBondContact N-OD2 3.32Å
31A97.6Very high97.2Very high17 Ų1756.9 Ų56.914%0.1435%0.349CS..Hα-helixtrans-67.5-39.1178.800000111.6G27 G28 P29 A34 V35 F46 L63G27-A31 WeakPolarHBondContact O-CB 3.37Å; G28-A31 PolarHBondContact O-N 3.19Å; P29-A31 PolarHBondContact O-N 3.04Å; A31-A34 WeakPolarHBondContact O-CB 3.24Å; A31-A34 PolarHBondContact O-N 3.37Å; A31-V35 WeakPolarHBondContact O-CG2 3.44Å; A31-V35 PolarHBondContact O-N 2.84Å; A31-V35 VanDerWaalsContact O-N 3.08Å; A31-F46 HydrophobicContact CB-CE2 3.95Å; A31-F46 HydrophobicContact CB-CZ 4.23Å; A31-L63 HydrophobicContact CB-CD2 4.21Å
32T97.6Very high97.2Very high83 Ų8354.6 Ų54.651%0.50934%0.344SS..Hα-helixtrans-65.3-43175.9-56.80000111G28 P29 A34 V35 A36G28-T32 WeakPolarHBondContact O-CB 3.37Å; G28-T32 PolarHBondContact O-N 3.18Å; G28-T32 PolarHBondContact O-OG1 2.94Å; P29-T32 PolarHBondContact O-N 2.94Å; T32-A34 VanDerWaalsContact C-N 3.33Å; T32-A34 PolarHBondContact O-N 3.38Å; T32-V35 PolarHBondContact O-N 3.09Å; T32-A36 WeakPolarHBondContact O-CB 3.41Å; T32-A36 PolarHBondContact O-N 3.1Å
33A98.2Very high97.2Very high29 Ų2959.7 Ų59.724%0.2437%0.371CS..Hα-helixtrans-62.4-40.2175.100000111.8P29 A30 A36 A37 L123P29-A33 WeakPolarHBondContact O-CB 3.36Å; P29-A33 PolarHBondContact O-N 3.43Å; A30-A33 PolarHBondContact O-N 2.86Å; A33-A36 PolarHBondContact O-N 2.94Å; A33-A37 WeakPolarHBondContact O-CB 3.34Å; A33-A37 PolarHBondContact O-N 3.37Å; A33-L123 HydrophobicContact CB-CD1 4.29Å; A33-L123 HydrophobicContact CB-CD2 3.85Å
34A98.5Very high97.3Very high9 Ų958.5 Ų58.57%0.07436%0.364CS..Hα-helixtrans-60-48.417600000111.9A30 A31 T32 A36 A37 A38 V44 F46 V68A30-A34 WeakPolarHBondContact O-CB 3.17Å; A30-A34 PolarHBondContact O-N 2.79Å; A31-A34 WeakPolarHBondContact O-CB 3.24Å; A31-A34 PolarHBondContact O-N 3.37Å; T32-A34 VanDerWaalsContact C-N 3.33Å; T32-A34 PolarHBondContact O-N 3.38Å; A34-A36 VanDerWaalsContact C-N 3.35Å; A34-A36 PolarHBondContact O-N 3.05Å; A34-A37 PolarHBondContact O-N 3.17Å; A34-A38 WeakPolarHBondContact O-CB 3.42Å; A34-A38 PolarHBondContact O-N 3.02Å; A34-V44 HydrophobicContact CB-CG1 3.72Å; A34-F46 HydrophobicContact CB-CD2 4.31Å; A34-V68 HydrophobicContact CB-CG1 4.02Å; A34-V68 HydrophobicContact CB-CG2 4.16Å
35V98.3Very high97.3Very high29 Ų2956.2 Ų56.218%0.17635%0.354CS..Hα-helixtrans-62.7-41.6175.7173.40000111.3A31 T32 A38 R39 L63 W66 V68A31-V35 WeakPolarHBondContact O-CG2 3.44Å; A31-V35 PolarHBondContact O-N 2.84Å; A31-V35 VanDerWaalsContact O-N 3.08Å; T32-V35 PolarHBondContact O-N 3.09Å; V35-A38 PolarHBondContact O-N 3.12Å; V35-R39 HydrophobicContact CG1-CG 4.34Å; V35-R39 WeakPolarHBondContact O-CB 3.38Å; V35-R39 VanDerWaalsContact O-CG 3.28Å; V35-R39 WeakPolarHBondContact O-CG 3.5Å; V35-R39 PolarHBondContact O-N 2.6Å; V35-L63 HydrophobicContact CG2-CD2 3.75Å; V35-W66 HydrophobicContact CG1-CB 4.02Å; V35-W66 HydrophobicContact CG1-CD2 4.07Å; V35-W66 HydrophobicContact CG1-CG 3.76Å; V35-W66 HydrophobicContact CG2-CB 4.09Å; V35-W66 HydrophobicContact CG2-CG 4.15Å; V35-V68 HydrophobicContact CG2-CG2 4.29Å
36A98.3Very high97.4Very high48 Ų4855.4 Ų55.440%0.39735%0.347SS..Hα-helixtrans-61.6-46.1177.800000111.9T32 A33 A34 R39 L40T32-A36 WeakPolarHBondContact O-CB 3.41Å; T32-A36 PolarHBondContact O-N 3.1Å; A33-A36 PolarHBondContact O-N 2.94Å; A34-A36 VanDerWaalsContact C-N 3.35Å; A34-A36 PolarHBondContact O-N 3.05Å; A36-R39 PolarHBondContact O-N 2.8Å; A36-L40 WeakPolarHBondContact O-CG 3.46Å; A36-L40 PolarHBondContact O-N 2.84Å; A36-L40 VanDerWaalsContact O-N 3.13Å
37A98.4Very high97.6Very high35 Ų3556.1 Ų56.129%0.28934%0.344SS..Hα-helixtrans-62.9-44.117700000112A33 A34 R39 L40 G41 A42 V44A33-A37 WeakPolarHBondContact O-CB 3.34Å; A33-A37 PolarHBondContact O-N 3.37Å; A34-A37 PolarHBondContact O-N 3.17Å; A37-R39 VanDerWaalsContact C-N 3.35Å; A37-R39 PolarHBondContact O-N 3.16Å; A37-L40 CarbonylContact O-C 3.59Å; A37-L40 PolarHBondContact O-N 2.98Å; A37-L40 VanDerWaalsContact O-N 3.1Å; A37-G41 PolarHBondContact O-N 3.44Å; A37-A42 HydrophobicContact CB-CB 4.24Å; A37-A42 WeakPolarHBondContact O-CB 3.28Å; A37-A42 PolarHBondContact O-N 3.38Å; A37-A42 VanDerWaalsContact O-N 3.09Å; A37-V44 HydrophobicContact CB-CG2 3.76Å
38A98.5Very high97.8Very high16 Ų1655.6 Ų55.613%0.13234%0.339CS..Hα-helixtrans-61.6-42.6177.100000111.7A34 V35 L40 G41 V44 W66 V68A34-A38 WeakPolarHBondContact O-CB 3.42Å; A34-A38 PolarHBondContact O-N 3.02Å; V35-A38 PolarHBondContact O-N 3.12Å; A38-L40 PolarHBondContact O-N 3.1Å; A38-G41 WeakPolarHBondContact O-CA 3.44Å; A38-G41 PolarHBondContact O-N 3.36Å; A38-V44 HydrophobicContact CB-CB 4.45Å; A38-V44 HydrophobicContact CB-CG2 3.97Å; A38-W66 WeakPolarHBondContact CB-O 3.44Å; A38-V68 HydrophobicContact CB-CG2 3.95Å
39R97.8Very high98.1Very high186 Ų18656.1 Ų56.170%0.70233%0.33SS*.Hα-helixtrans-64.6-24.1175.6-74-175.968.3-174.71.5113.8V35 A36 A37 G41 W66V35-R39 HydrophobicContact CG1-CG 4.34Å; V35-R39 WeakPolarHBondContact O-CB 3.38Å; V35-R39 VanDerWaalsContact O-CG 3.28Å; V35-R39 WeakPolarHBondContact O-CG 3.5Å; V35-R39 PolarHBondContact O-N 2.6Å; A36-R39 PolarHBondContact O-N 2.8Å; A37-R39 VanDerWaalsContact C-N 3.35Å; A37-R39 PolarHBondContact O-N 3.16Å; R39-G41 VanDerWaalsContact C-N 3.27Å; R39-W66 HydrophobicContact CG-CE3 4.27Å
40L98.3Very high98.2Very high157 Ų15754.4 Ų54.482%0.82232%0.319SS*.THydrogen-bonded Turntrans-85.40.9173-68.1170.4000112.9A36 A37 A38A36-L40 WeakPolarHBondContact O-CG 3.46Å; A36-L40 PolarHBondContact O-N 2.84Å; A36-L40 VanDerWaalsContact O-N 3.13Å; A37-L40 CarbonylContact O-C 3.59Å; A37-L40 PolarHBondContact O-N 2.98Å; A37-L40 VanDerWaalsContact O-N 3.1Å; A38-L40 PolarHBondContact O-N 3.1Å
41G98.1Very high98.2Very high68 Ų6853.5 Ų53.570%0.70131%0.311SS*.THydrogen-bonded Turntrans95.28.717500000115A37 A38 R39A37-G41 PolarHBondContact O-N 3.44Å; A38-G41 WeakPolarHBondContact O-CA 3.44Å; A38-G41 PolarHBondContact O-N 3.36Å; R39-G41 VanDerWaalsContact C-N 3.27Å
42A98.5Very high98.2Very high54 Ų5455.9 Ų55.945%0.44632%0.321SS..  trans-73.3151.8173.100000111.4A37 V44A37-A42 HydrophobicContact CB-CB 4.24Å; A37-A42 WeakPolarHBondContact O-CB 3.28Å; A37-A42 PolarHBondContact O-N 3.38Å; A37-A42 VanDerWaalsContact O-N 3.09Å; A42-V44 HydrophobicContact CB-CG2 4Å
43Q98.6Very high98.3Very high199 Ų19953.7 Ų53.793%0.9331%0.306SS*.  trans-81.7125.9162.3-64.2-176.512.200107.9
44V98.8Very high98.3Very high22 Ų2258.4 Ų58.413%0.13333%0.328CS..EExtended strand (participates in β ladder)trans-129.6125-170.8-173.20000110A34 A37 A38 A42 V68 N69A34-V44 HydrophobicContact CB-CG1 3.72Å; A37-V44 HydrophobicContact CB-CG2 3.76Å; A38-V44 HydrophobicContact CB-CB 4.45Å; A38-V44 HydrophobicContact CB-CG2 3.97Å; A42-V44 HydrophobicContact CB-CG2 4Å; V44-V68 HydrophobicContact CB-CG1 4.47Å; V44-V68 HydrophobicContact CG1-CG1 4.07Å; V44-V68 HydrophobicContact CG1-CG2 4.48Å; V44-N69 PolarHBondContact O-N 3.41Å
45D98.7Very high98.2Very high38 Ų3858.9 Ų58.920%0.20333%0.33CS..EExtended strand (participates in β ladder)trans-101.5137.3163.1-72.2-52.9000109.3N69 R71 Y72 W119D45-N69 CarbonylContact C-O 3.6Å; D45-N69 WeakPolarHBondContact CA-O 3.12Å; D45-N69 WeakPolarHBondContact OD1-CB 3.36Å; D45-N69 PolarHBondContact OD1-ND2 2.89Å; D45-R71 IonicContact OD2-NH2 3.88Å; D45-Y72 HydrophobicContact CB-CD2 3.94Å; D45-Y72 HydrophobicContact CB-CE2 4.22Å; D45-W119 HydrophobicContact CB-CZ2 3.82Å; D45-W119 PolarHBondContact OD2-NE1 2.57Å
46F98.6Very high98.2Very high32 Ų3257.5 Ų57.514%0.1432%0.321CS..EExtended strand (participates in β ladder)trans-103.6123.8172-179.5-103.9000110.3A30 A31 A34 L63 V68 N69 T73A30-F46 HydrophobicContact CB-CE2 4.1Å; A31-F46 HydrophobicContact CB-CE2 3.95Å; A31-F46 HydrophobicContact CB-CZ 4.23Å; A34-F46 HydrophobicContact CB-CD2 4.31Å; F46-L63 HydrophobicContact CB-CD1 4.37Å; F46-L63 HydrophobicContact CD1-CD1 3.65Å; F46-L63 HydrophobicContact CE1-CD1 4.02Å; F46-L63 HydrophobicContact CG-CD1 3.93Å; F46-V68 HydrophobicContact CB-CG1 3.6Å; F46-N69 PolarHBondContact N-O 2.64Å; F46-T73 WeakPolarHBondContact CD1-OG1 3.29Å; F46-T73 PolarHBondContact O-OG1 2.96Å
47I98.3Very high98.2Very high40 Ų4058.3 Ų58.321%0.20532%0.319CS..EExtended strand (participates in β ladder)trans-106.1120172.6-52.8179.1000107.5W110 L111 I114 F116 W119 W128I47-W110 HydrophobicContact CG2-CH2 3.86Å; I47-W110 HydrophobicContact CG2-CZ3 4.32Å; I47-L111 HydrophobicContact CG2-CD2 3.56Å; I47-I114 HydrophobicContact CD1-CD1 4.43Å; I47-F116 HydrophobicContact CD1-CE1 3.98Å; I47-F116 HydrophobicContact CD1-CZ 3.89Å; I47-W119 HydrophobicContact CD1-CH2 3.84Å; I47-W119 HydrophobicContact CD1-CZ2 4.45Å; I47-W119 HydrophobicContact CD1-CZ3 4.17Å; I47-W128 HydrophobicContact CG2-CZ3 4.4Å
48G97.6Very high98.2Very high6 Ų659.2 Ų59.26%0.06232%0.323CS..EExtended strand (participates in β ladder)trans-164.8-167.2-176.500000112.6T73 K74G48-T73 WeakPolarHBondContact O-CA 3.37Å; G48-K74 PolarHBondContact O-N 3.38Å
49R97.8Very high98.2Very high47 Ų4759.7 Ų59.718%0.17732%0.324CS..EExtended strand (participates in β ladder)trans-137.2134.1179.9-61.2166.2-67.4142.413.5109.4K74 Y76 L104 L105 W110 W128R49-K74 VanDerWaalsContact CA-O 3.32Å; R49-K74 WeakPolarHBondContact CA-O 3.5Å; R49-K74 HydrophobicContact CG-CB 4.36Å; R49-Y76 HydrophobicContact CB-CD2 4.44Å; R49-Y76 HydrophobicContact CB-CE2 4.08Å; R49-Y76 HydrophobicContact CG-CE2 3.93Å; R49-L104 HydrophobicContact CB-CB 4.34Å; R49-L104 HydrophobicContact CB-CD1 4.46Å; R49-L104 HydrophobicContact CB-CD2 4.48Å; R49-L104 PolarHBondContact NH1-O 3.04Å; R49-L105 VanDerWaalsContact NH1-C 3.28Å; R49-L105 PolarHBondContact NH1-O 3Å; R49-W110 HydrophobicContact CG-CZ2 4.23Å; R49-W128 VanDerWaalsContact NE-CE2 3.34Å; R49-W128 VanDerWaalsContact NH2-CB 3.26Å; R49-W128 VanDerWaalsContact NH2-CD1 3.28Å
50V98.3Very high98.2Very high8 Ų851.7 Ų51.75%0.04830%0.295CS..EExtended strand (participates in β ladder)trans-135.4162.3173.3-62.50000110.3L60 T73 K74 R75 Y76 L104V50-L60 HydrophobicContact CG1-CD2 4.36Å; V50-L60 HydrophobicContact CG2-CD1 3.98Å; V50-L60 HydrophobicContact CG2-CG 4.28Å; V50-T73 HydrophobicContact CG1-CG2 4.12Å; V50-T73 HydrophobicContact CG2-CG2 4.02Å; V50-K74 PolarHBondContact N-O 2.93Å; V50-R75 HydrophobicContact CG2-CB 4.49Å; V50-R75 HydrophobicContact CG2-CG 4.02Å; V50-R75 CarbonylContact O-C 3.47Å; V50-R75 WeakPolarHBondContact O-CA 3.32Å; V50-Y76 PolarHBondContact O-N 2.88Å; V50-L104 WeakPolarHBondContact O-CD2 3.38Å
51G98.3Very high98.2Very high0 Ų046.8 Ų46.80%028%0.277CS..EExtended strand (participates in β ladder)trans-73.7165.2164.600000111.6D53 R75 A79 S81G51-D53 PolarHBondContact O-N 3.42Å; G51-R75 PolarHBondContact O-NH2 2.94Å; G51-A79 WeakPolarHBondContact CA-O 3.32Å; G51-S81 WeakPolarHBondContact CA-OG 3.41Å; G51-S81 PolarHBondContact N-OG 3.13Å
52D97.9Very high98.2Very high67 Ų6746.3 Ų46.336%0.35826%0.256SS..SBendtrans-81.121.816764.7-25000112.7Y76 N77 Q78 A79D52-Y76 WeakPolarHBondContact CB-O 3.25Å; D52-Y76 PolarHBondContact N-O 3.38Å; D52-N77 WeakPolarHBondContact OD2-CA 3.42Å; D52-N77 PolarHBondContact OD2-OD1 2.94Å; D52-Q78 WeakPolarHBondContact OD1-CA 3.46Å; D52-Q78 PolarHBondContact OD1-N 3.47Å; D52-Q78 PolarHBondContact OD2-N 2.65Å; D52-A79 PolarHBondContact OD1-N 3.27Å
53D98.2Very high98.2Very high37 Ų3744.3 Ų44.320%0.19824%0.238CC..SBendtrans-93.1171.1179.768.4-6.9000113.2G51 T55 G56 N57 K80 S81G51-D53 PolarHBondContact O-N 3.42Å; D53-T55 PolarHBondContact O-N 3.44Å; D53-G56 PolarHBondContact O-N 3.11Å; D53-G56 VanDerWaalsContact O-N 3.09Å; D53-G56 PolarHBondContact OD1-N 2.97Å; D53-N57 PolarHBondContact O-N 2.98Å; D53-N57 PolarHBondContact O-ND2 3.3Å; D53-K80 WeakPolarHBondContact OD2-CA 3.21Å; D53-S81 VanDerWaalsContact OD1-CB 3.29Å; D53-S81 WeakPolarHBondContact OD1-CB 3.38Å; D53-S81 PolarHBondContact OD1-N 3.08Å; D53-S81 PolarHBondContact OD1-OG 2.82Å; D53-S81 PolarHBondContact OD2-N 3.44Å
54D97.9Very high98.2Very high129 Ų12939.7 Ų39.769%0.6922%0.216SC*.Hα-helixtrans-60.7-32178.4-68.2-25.1000112.6N57 S58D54-N57 PolarHBondContact O-N 3.21Å; D54-S58 WeakPolarHBondContact O-CB 3.37Å; D54-S58 PolarHBondContact O-N 3.35Å; D54-S58 PolarHBondContact O-OG 3.45Å
55T97.9Very high98.2Very high18 Ų1842.8 Ų42.811%0.1124%0.239CC..Hα-helixtrans-63.3-46.2174.8-55.90000110.4M1 D53 S58 L59M1-T55 HydrophobicContact CB-CG2 3.47Å; M1-T55 VanDerWaalsContact CB-CG2 3.47Å; M1-T55 HydrophobicContact CG-CG2 4.32Å; D53-T55 PolarHBondContact O-N 3.44Å; T55-S58 PolarHBondContact O-N 3.26Å; T55-L59 HydrophobicContact CG2-CD1 4.14Å; T55-L59 VanDerWaalsContact O-CG 3.26Å; T55-L59 WeakPolarHBondContact O-CG 3.38Å; T55-L59 PolarHBondContact O-N 3.4Å
56G98.2Very high98.1Very high0 Ų046.7 Ų46.70%025%0.251CS..Hα-helixtrans-63.1-44.7176.100000111.9D53 S58 L59 L60 S81D53-G56 PolarHBondContact O-N 3.11Å; D53-G56 VanDerWaalsContact O-N 3.09Å; D53-G56 PolarHBondContact OD1-N 2.97Å; G56-S58 VanDerWaalsContact C-N 3.32Å; G56-S58 PolarHBondContact O-N 2.99Å; G56-L59 PolarHBondContact O-N 3.5Å; G56-L60 WeakPolarHBondContact O-CG 3.47Å; G56-L60 PolarHBondContact O-N 2.96Å; G56-L60 VanDerWaalsContact O-N 3.07Å; G56-S81 WeakPolarHBondContact CA-OG 3.29Å; G56-S81 PolarHBondContact N-OG 3.34Å; G56-S81 VanDerWaalsContact N-OG 3.13Å
57N98.1Very high98.1Very high66 Ų6647.9 Ų47.935%0.35327%0.272SS..Hα-helixtrans-56.2-47.3174.4-69.4-36.1000111.4D53 D54 L60 A61 R75D53-N57 PolarHBondContact O-N 2.98Å; D53-N57 PolarHBondContact O-ND2 3.3Å; D54-N57 PolarHBondContact O-N 3.21Å; N57-L60 PolarHBondContact O-N 3.17Å; N57-A61 WeakPolarHBondContact O-CB 3.34Å; N57-A61 PolarHBondContact O-N 2.98Å; N57-R75 VanDerWaalsContact OD1-CZ 3.28Å; N57-R75 PolarHBondContact OD1-NH1 2.84Å; N57-R75 PolarHBondContact OD1-NH2 3.41Å
58S98.2Very high98.1Very high54 Ų5446 Ų4638%0.37826%0.263SS..Hα-helixtrans-65.2-41.7-178.6-57.20000112.2D54 T55 G56 A61 E62D54-S58 WeakPolarHBondContact O-CB 3.37Å; D54-S58 PolarHBondContact O-N 3.35Å; D54-S58 PolarHBondContact O-OG 3.45Å; T55-S58 PolarHBondContact O-N 3.26Å; G56-S58 VanDerWaalsContact C-N 3.32Å; G56-S58 PolarHBondContact O-N 2.99Å; S58-A61 PolarHBondContact O-N 3.35Å; S58-E62 WeakPolarHBondContact O-CB 3.23Å; S58-E62 PolarHBondContact O-N 2.9Å
59L98.2Very high98.2Very high26 Ų2648.3 Ų48.314%0.13627%0.274CS..Hα-helixtrans-62.5-44.2177.6-73.8168.1000112.4M1 T55 G56 L63M1-L59 HydrophobicContact CB-CD1 4.46Å; M1-L59 HydrophobicContact CB-CD2 4.16Å; M1-L59 HydrophobicContact CB-CG 4.35Å; M1-L59 HydrophobicContact CE-CD2 4.18Å; M1-L59 HydrophobicContact CE-CG 4.26Å; T55-L59 HydrophobicContact CG2-CD1 4.14Å; T55-L59 VanDerWaalsContact O-CG 3.26Å; T55-L59 WeakPolarHBondContact O-CG 3.38Å; T55-L59 PolarHBondContact O-N 3.4Å; G56-L59 PolarHBondContact O-N 3.5Å; L59-L63 WeakPolarHBondContact O-CG 3.42Å; L59-L63 PolarHBondContact O-N 2.95Å; L59-L63 VanDerWaalsContact O-N 3.17Å
60L98.4Very high98.2Very high18 Ų1846.8 Ų46.89%0.09427%0.269CS..Hα-helixtrans-67.6-45.9178.7-66-174.5000111.4V50 G56 N57 E62 L63 E64 T70 T73V50-L60 HydrophobicContact CG1-CD2 4.36Å; V50-L60 HydrophobicContact CG2-CD1 3.98Å; V50-L60 HydrophobicContact CG2-CG 4.28Å; G56-L60 WeakPolarHBondContact O-CG 3.47Å; G56-L60 PolarHBondContact O-N 2.96Å; G56-L60 VanDerWaalsContact O-N 3.07Å; N57-L60 PolarHBondContact O-N 3.17Å; L60-E62 VanDerWaalsContact C-N 3.27Å; L60-E62 PolarHBondContact O-N 3.42Å; L60-L63 PolarHBondContact O-N 3.07Å; L60-E64 WeakPolarHBondContact O-CB 3.36Å; L60-E64 VanDerWaalsContact O-CG 3.28Å; L60-E64 WeakPolarHBondContact O-CG 3.39Å; L60-E64 PolarHBondContact O-N 3.35Å; L60-T70 HydrophobicContact CB-CG2 4.47Å; L60-T70 HydrophobicContact CD2-CG2 3.91Å; L60-T73 HydrophobicContact CD2-CG2 3.78Å
61A98.3Very high98.2Very high54 Ų5453.5 Ų53.545%0.44629%0.294SS..Hα-helixtrans-60.3-38.117800000112.2N57 S58 S65N57-A61 WeakPolarHBondContact O-CB 3.34Å; N57-A61 PolarHBondContact O-N 2.98Å; S58-A61 PolarHBondContact O-N 3.35Å; A61-S65 WeakPolarHBondContact O-CB 3.38Å; A61-S65 PolarHBondContact O-N 3.24Å
62E98.1Very high98.2Very high57 Ų5755.7 Ų55.727%0.26630%0.303SS..Hα-helixtrans-64.8-48.1175.5-175.9176.8178.500111.7G26 S58 L60 E64 S65 W66G26-E62 WeakPolarHBondContact CA-OE2 3.41Å; G26-E62 PolarHBondContact N-OE1 3.43Å; G26-E62 PolarHBondContact N-OE2 3.09Å; S58-E62 WeakPolarHBondContact O-CB 3.23Å; S58-E62 PolarHBondContact O-N 2.9Å; L60-E62 VanDerWaalsContact C-N 3.27Å; L60-E62 PolarHBondContact O-N 3.42Å; E62-E64 VanDerWaalsContact C-N 3.33Å; E62-E64 PolarHBondContact O-N 3.44Å; E62-S65 WeakPolarHBondContact O-CB 3.43Å; E62-S65 PolarHBondContact O-N 2.68Å; E62-S65 PolarHBondContact O-OG 3.35Å; E62-W66 PolarHBondContact O-N 3.37Å
63L98.6Very high98.2Very high13 Ų1353.2 Ų53.27%0.06829%0.29CS..Hα-helixtrans-56.7-47.4175.7-75.8173.3000111.8A31 V35 F46 L59 L60 S65 W66 G67 V68 T70A31-L63 HydrophobicContact CB-CD2 4.21Å; V35-L63 HydrophobicContact CG2-CD2 3.75Å; F46-L63 HydrophobicContact CB-CD1 4.37Å; F46-L63 HydrophobicContact CD1-CD1 3.65Å; F46-L63 HydrophobicContact CE1-CD1 4.02Å; F46-L63 HydrophobicContact CG-CD1 3.93Å; L59-L63 WeakPolarHBondContact O-CG 3.42Å; L59-L63 PolarHBondContact O-N 2.95Å; L59-L63 VanDerWaalsContact O-N 3.17Å; L60-L63 PolarHBondContact O-N 3.07Å; L63-S65 VanDerWaalsContact C-N 3.29Å; L63-S65 PolarHBondContact O-N 3.04Å; L63-W66 PolarHBondContact O-N 2.97Å; L63-G67 PolarHBondContact O-N 3.39Å; L63-V68 HydrophobicContact CB-CB 4.12Å; L63-V68 HydrophobicContact CB-CG1 4.4Å; L63-V68 HydrophobicContact CD2-CB 4.37Å; L63-V68 HydrophobicContact CD2-CG1 4.35Å; L63-V68 HydrophobicContact CD2-CG2 4.34Å; L63-V68 WeakPolarHBondContact O-CB 3.29Å; L63-V68 PolarHBondContact O-N 2.96Å; L63-V68 VanDerWaalsContact O-N 3.09Å; L63-T70 HydrophobicContact CB-CG2 3.78Å; L63-T70 HydrophobicContact CD1-CG2 4.17Å
64E98.5Very high98.2Very high101 Ų10154.2 Ų54.247%0.47229%0.293SS..Hα-helixtrans-60.8-38.7178-71.4161.8-160.600111.9L60 E62 W66 G67 V68 T70L60-E64 WeakPolarHBondContact O-CB 3.36Å; L60-E64 VanDerWaalsContact O-CG 3.28Å; L60-E64 WeakPolarHBondContact O-CG 3.39Å; L60-E64 PolarHBondContact O-N 3.35Å; E62-E64 VanDerWaalsContact C-N 3.33Å; E62-E64 PolarHBondContact O-N 3.44Å; E64-W66 PolarHBondContact O-N 3.04Å; E64-G67 PolarHBondContact O-N 3.22Å; E64-V68 WeakPolarHBondContact CA-O 3.44Å; E64-T70 HydrophobicContact CG-CG2 3.79Å; E64-T70 PolarHBondContact OE1-OG1 3.33Å
65S97.8Very high98.2Very high88 Ų8853.3 Ų53.362%0.61528%0.279SS*.Hα-helixtrans-62.7-22.9176.381.20000113.4A61 E62 L63A61-S65 WeakPolarHBondContact O-CB 3.38Å; A61-S65 PolarHBondContact O-N 3.24Å; E62-S65 WeakPolarHBondContact O-CB 3.43Å; E62-S65 PolarHBondContact O-N 2.68Å; E62-S65 PolarHBondContact O-OG 3.35Å; L63-S65 VanDerWaalsContact C-N 3.29Å; L63-S65 PolarHBondContact O-N 3.04Å
66W97.9Very high98.2Very high119 Ų11953.6 Ų53.645%0.45128%0.279SS..THydrogen-bonded Turntrans-93.46.3174.2-67.5113.7000113.8V35 A38 R39 E62 L63 E64V35-W66 HydrophobicContact CG1-CB 4.02Å; V35-W66 HydrophobicContact CG1-CD2 4.07Å; V35-W66 HydrophobicContact CG1-CG 3.76Å; V35-W66 HydrophobicContact CG2-CB 4.09Å; V35-W66 HydrophobicContact CG2-CG 4.15Å; A38-W66 WeakPolarHBondContact CB-O 3.44Å; R39-W66 HydrophobicContact CG-CE3 4.27Å; E62-W66 PolarHBondContact O-N 3.37Å; L63-W66 PolarHBondContact O-N 2.97Å; E64-W66 PolarHBondContact O-N 3.04Å
67G98.2Very high98.1Very high57 Ų5759.8 Ų59.859%0.58831%0.312SS*.THydrogen-bonded Turntrans81.114.618000000114.4L63 E64L63-G67 PolarHBondContact O-N 3.39Å; E64-G67 PolarHBondContact O-N 3.22Å
68V98.8Very high98Very high2 Ų265 Ų651%0.01233%0.334CS..EExtended strand (participates in β ladder)trans-86.4124173.4-178.30000108.8A34 V35 A38 V44 F46 L63 E64A34-V68 HydrophobicContact CB-CG1 4.02Å; A34-V68 HydrophobicContact CB-CG2 4.16Å; V35-V68 HydrophobicContact CG2-CG2 4.29Å; A38-V68 HydrophobicContact CB-CG2 3.95Å; V44-V68 HydrophobicContact CB-CG1 4.47Å; V44-V68 HydrophobicContact CG1-CG1 4.07Å; V44-V68 HydrophobicContact CG1-CG2 4.48Å; F46-V68 HydrophobicContact CB-CG1 3.6Å; L63-V68 HydrophobicContact CB-CB 4.12Å; L63-V68 HydrophobicContact CB-CG1 4.4Å; L63-V68 HydrophobicContact CD2-CB 4.37Å; L63-V68 HydrophobicContact CD2-CG1 4.35Å; L63-V68 HydrophobicContact CD2-CG2 4.34Å; L63-V68 WeakPolarHBondContact O-CB 3.29Å; L63-V68 PolarHBondContact O-N 2.96Å; L63-V68 VanDerWaalsContact O-N 3.09Å; E64-V68 WeakPolarHBondContact CA-O 3.44Å
69N98.7Very high98Very high54 Ų5462.6 Ų62.629%0.28932%0.318SS..EExtended strand (participates in β ladder)trans-80.1126.9175.7174.812.8000110.5V44 D45 F46 R71V44-N69 PolarHBondContact O-N 3.41Å; D45-N69 CarbonylContact C-O 3.6Å; D45-N69 WeakPolarHBondContact CA-O 3.12Å; D45-N69 WeakPolarHBondContact OD1-CB 3.36Å; D45-N69 PolarHBondContact OD1-ND2 2.89Å; F46-N69 PolarHBondContact N-O 2.64Å; N69-R71 VanDerWaalsContact ND2-CD 3.35Å; N69-R71 WeakPolarHBondContact ND2-CD 3.44Å; N69-R71 PolarHBondContact ND2-NE 3.4Å; N69-R71 PolarHBondContact ND2-NH1 3.5Å; N69-R71 WeakPolarHBondContact OD1-CB 3.39Å; N69-R71 WeakPolarHBondContact OD1-CG 3.21Å; N69-R71 PolarHBondContact OD1-N 3.39Å
70T98.6Very high98Very high14 Ų1467.3 Ų67.39%0.08634%0.337CS..EExtended strand (participates in β ladder)trans-105.34.5-171.8540000113.3L60 L63 E64 Y72 T73L60-T70 HydrophobicContact CB-CG2 4.47Å; L60-T70 HydrophobicContact CD2-CG2 3.91Å; L63-T70 HydrophobicContact CB-CG2 3.78Å; L63-T70 HydrophobicContact CD1-CG2 4.17Å; E64-T70 HydrophobicContact CG-CG2 3.79Å; E64-T70 PolarHBondContact OE1-OG1 3.33Å; T70-Y72 PolarHBondContact O-N 2.88Å; T70-T73 VanDerWaalsContact O-CB 3.24Å; T70-T73 WeakPolarHBondContact O-CB 3.28Å; T70-T73 PolarHBondContact O-N 2.99Å; T70-T73 PolarHBondContact O-OG1 2.7Å
71R97.8Very high98Very high150 Ų15066.5 Ų66.557%0.56633%0.333SS*.EExtended strand (participates in β ladder)trans-56.4-24-173.372.4-178.2175.5-152.5-0.2114.9D45 N69 T73D45-R71 IonicContact OD2-NH2 3.88Å; N69-R71 VanDerWaalsContact ND2-CD 3.35Å; N69-R71 WeakPolarHBondContact ND2-CD 3.44Å; N69-R71 PolarHBondContact ND2-NE 3.4Å; N69-R71 PolarHBondContact ND2-NH1 3.5Å; N69-R71 WeakPolarHBondContact OD1-CB 3.39Å; N69-R71 WeakPolarHBondContact OD1-CG 3.21Å; N69-R71 PolarHBondContact OD1-N 3.39Å; R71-T73 VanDerWaalsContact C-N 3.33Å
72Y97.8Very high98Very high46 Ų4666 Ų6618%0.1833%0.326CS..EExtended strand (participates in β ladder)trans-92.49.8177.9-60.7-69.7000113.5D45 T70 I114 Q118 W119D45-Y72 HydrophobicContact CB-CD2 3.94Å; D45-Y72 HydrophobicContact CB-CE2 4.22Å; T70-Y72 PolarHBondContact O-N 2.88Å; Y72-I114 HydrophobicContact CD1-CD1 3.71Å; Y72-I114 HydrophobicContact CD1-CG1 3.98Å; Y72-I114 HydrophobicContact CD1-CG2 4.25Å; Y72-I114 HydrophobicContact CE1-CD1 4.46Å; Y72-I114 HydrophobicContact CE1-CG1 4.29Å; Y72-I114 HydrophobicContact CE1-CG2 4.09Å; Y72-I114 HydrophobicContact CG-CD1 4.29Å; Y72-Q118 PolarHBondContact OH-NE2 3.09Å; Y72-Q118 VanDerWaalsContact OH-NE2 3.17Å; Y72-Q118 PolarHBondContact OH-OE1 2.87Å; Y72-W119 HydrophobicContact CD2-CH2 4.19Å; Y72-W119 AromaticContact CD2-CZ2 3.83Å; Y72-W119 HydrophobicContact CD2-CZ2 3.83Å; Y72-W119 AromaticContact CE2-CH2 4Å; Y72-W119 HydrophobicContact CE2-CH2 4Å; Y72-W119 AromaticContact CE2-CZ2 3.53Å; Y72-W119 HydrophobicContact CE2-CZ2 3.53Å
73T97.9Very high97.9Very high15 Ų1565.7 Ų65.79%0.09233%0.325CS..EExtended strand (participates in β ladder)trans-84.8120.8174.8-580000110.6F46 G48 V50 L60 T70 R71F46-T73 WeakPolarHBondContact CD1-OG1 3.29Å; F46-T73 PolarHBondContact O-OG1 2.96Å; G48-T73 WeakPolarHBondContact O-CA 3.37Å; V50-T73 HydrophobicContact CG1-CG2 4.12Å; V50-T73 HydrophobicContact CG2-CG2 4.02Å; L60-T73 HydrophobicContact CD2-CG2 3.78Å; T70-T73 VanDerWaalsContact O-CB 3.24Å; T70-T73 WeakPolarHBondContact O-CB 3.28Å; T70-T73 PolarHBondContact O-N 2.99Å; T70-T73 PolarHBondContact O-OG1 2.7Å; R71-T73 VanDerWaalsContact C-N 3.33Å
74K97.7Very high97.9Very high58 Ų5865.7 Ų65.725%0.25233%0.326SS..EExtended strand (participates in β ladder)trans-76.5130.7176.4-174.8168.5-178.7174.80110.4G48 R49 V50 Y76 D107 W110G48-K74 PolarHBondContact O-N 3.38Å; R49-K74 VanDerWaalsContact CA-O 3.32Å; R49-K74 WeakPolarHBondContact CA-O 3.5Å; R49-K74 HydrophobicContact CG-CB 4.36Å; V50-K74 PolarHBondContact N-O 2.93Å; K74-Y76 HydrophobicContact CB-CE2 4.39Å; K74-Y76 HydrophobicContact CD-CE2 3.78Å; K74-Y76 WeakPolarHBondContact CE-OH 3.34Å; K74-Y76 HydrophobicContact CG-CD2 4.27Å; K74-Y76 HydrophobicContact CG-CE2 3.8Å; K74-Y76 PolarHBondContact NZ-OH 3.39Å; K74-D107 IonicContact NZ-OD2 3.58Å; K74-D107 PolarHBondContact NZ-OD2 3.24Å; K74-W110 HydrophobicContact CB-CH2 3.94Å; K74-W110 HydrophobicContact CB-CZ2 3.77Å; K74-W110 HydrophobicContact CB-CZ3 4.42Å; K74-W110 HydrophobicContact CD-CD2 3.89Å; K74-W110 HydrophobicContact CD-CG 3.98Å; K74-W110 HydrophobicContact CD-CZ2 4.05Å
75R97.8Very high97.9Very high109 Ų10962.9 Ų62.941%0.41132%0.32SS..EExtended strand (participates in β ladder)trans-102123.5173-47.1-16479.5-169.91109.4V50 G51 N57V50-R75 HydrophobicContact CG2-CB 4.49Å; V50-R75 HydrophobicContact CG2-CG 4.02Å; V50-R75 CarbonylContact O-C 3.47Å; V50-R75 WeakPolarHBondContact O-CA 3.32Å; G51-R75 PolarHBondContact O-NH2 2.94Å; N57-R75 VanDerWaalsContact OD1-CZ 3.28Å; N57-R75 PolarHBondContact OD1-NH1 2.84Å; N57-R75 PolarHBondContact OD1-NH2 3.41Å
76Y97.8Very high97.9Very high25 Ų2559.3 Ų59.310%0.09829%0.294CS..EExtended strand (participates in β ladder)trans-89.8133.1173.6-75.7-98.9000109.4R49 V50 D52 K74 A79 L104 L105 D107R49-Y76 HydrophobicContact CB-CD2 4.44Å; R49-Y76 HydrophobicContact CB-CE2 4.08Å; R49-Y76 HydrophobicContact CG-CE2 3.93Å; V50-Y76 PolarHBondContact O-N 2.88Å; D52-Y76 WeakPolarHBondContact CB-O 3.25Å; D52-Y76 PolarHBondContact N-O 3.38Å; K74-Y76 HydrophobicContact CB-CE2 4.39Å; K74-Y76 HydrophobicContact CD-CE2 3.78Å; K74-Y76 WeakPolarHBondContact CE-OH 3.34Å; K74-Y76 HydrophobicContact CG-CD2 4.27Å; K74-Y76 HydrophobicContact CG-CE2 3.8Å; K74-Y76 PolarHBondContact NZ-OH 3.39Å; Y76-A79 VanDerWaalsContact CB-CB 3.45Å; Y76-A79 WeakPolarHBondContact O-CB 3.2Å; Y76-L104 HydrophobicContact CD2-CD2 3.92Å; Y76-L104 HydrophobicContact CG-CD2 4.34Å; Y76-L105 HydrophobicContact CD1-CG 4.24Å; Y76-L105 HydrophobicContact CE1-CB 3.62Å; Y76-L105 HydrophobicContact CE1-CD1 3.9Å; Y76-L105 HydrophobicContact CE1-CG 3.71Å; Y76-L105 PolarHBondContact OH-O 3.09Å; Y76-D107 PolarHBondContact OH-OD1 3.08Å; Y76-D107 PolarHBondContact OH-OD2 3.19Å
77N97.2Very high97.9Very high129 Ų12955.8 Ų55.869%0.6928%0.283SS*.THydrogen-bonded Turntrans-75.2141178.9-172.418.6000110.4D52 A79D52-N77 WeakPolarHBondContact OD2-CA 3.42Å; D52-N77 PolarHBondContact OD2-OD1 2.94Å; N77-A79 PolarHBondContact O-N 3.03Å
78Q96.3Very high97.9Very high175 Ų17554 Ų5482%0.81826%0.261SS*.THydrogen-bonded Turntrans53.533.8-176.9-49.2-170.9-79.500113.4D52D52-Q78 WeakPolarHBondContact OD1-CA 3.46Å; D52-Q78 PolarHBondContact OD1-N 3.47Å; D52-Q78 PolarHBondContact OD2-N 2.65Å
79A97.8Very high97.9Very high5 Ų555 Ų554%0.04127%0.266CS..  trans-115.7142.5-173.600000111.2G51 D52 Y76 N77 D103 L104G51-A79 WeakPolarHBondContact CA-O 3.32Å; D52-A79 PolarHBondContact OD1-N 3.27Å; Y76-A79 VanDerWaalsContact CB-CB 3.45Å; Y76-A79 WeakPolarHBondContact O-CB 3.2Å; N77-A79 PolarHBondContact O-N 3.03Å; A79-D103 HydrophobicContact CB-CB 3.48Å; A79-D103 VanDerWaalsContact CB-CB 3.48Å; A79-L104 HydrophobicContact CB-CD2 4.48Å
80K98Very high97.8Very high124 Ų12456.7 Ų56.754%0.53928%0.278SS..PPolyproline II helixtrans-81.9143.9170.3-66.3175.1-176.8172.40110.1D53 Y99 S101 D103D53-K80 WeakPolarHBondContact OD2-CA 3.21Å; K80-Y99 HydrophobicContact CB-CE1 4.31Å; K80-S101 WeakPolarHBondContact O-CB 3.44Å; K80-S101 PolarHBondContact O-OG 3.43Å; K80-D103 PolarHBondContact N-OD2 2.89Å
81S98.3Very high97.8Very high1 Ų164.5 Ų64.51%0.00731%0.311CS..PPolyproline II helixtrans-81.1152.9169.9-64.20000111.8G51 D53 G56G51-S81 WeakPolarHBondContact CA-OG 3.41Å; G51-S81 PolarHBondContact N-OG 3.13Å; D53-S81 VanDerWaalsContact OD1-CB 3.29Å; D53-S81 WeakPolarHBondContact OD1-CB 3.38Å; D53-S81 PolarHBondContact OD1-N 3.08Å; D53-S81 PolarHBondContact OD1-OG 2.82Å; D53-S81 PolarHBondContact OD2-N 3.44Å; G56-S81 WeakPolarHBondContact CA-OG 3.29Å; G56-S81 PolarHBondContact N-OG 3.34Å; G56-S81 VanDerWaalsContact N-OG 3.13Å
82S97.6Very high97.7Very high44 Ų4459.1 Ų59.131%0.30830%0.302SS..PPolyproline II helixtrans-64.3141.6174.7-62.50000111.9M1 Y99 S101M1-S82 PolarHBondContact N-O 3.36Å; S82-Y99 WeakPolarHBondContact CA-O 3.37Å; S82-S101 PolarHBondContact OG-N 2.96Å
83Q97.5Very high97.7Very high50 Ų5062.8 Ų62.823%0.23432%0.321CS..EExtended strand (participates in β ladder)trans-153.6158.6-176.362-173.39.300112.3M1 N98 Y99M1-Q83 HydrophobicContact CB-CB 4.33Å; M1-Q83 CarbonylContact O-C 3.54Å; M1-Q83 WeakPolarHBondContact O-CA 3.35Å; M1-Q83 WeakPolarHBondContact O-CB 3.29Å; Q83-N98 PolarHBondContact O-OD1 2.86Å; Q83-Y99 HydrophobicContact CG-CD1 4.11Å; Q83-Y99 HydrophobicContact CG-CG 4.5Å; Q83-Y99 PolarHBondContact N-O 2.9Å; Q83-Y99 WeakPolarHBondContact O-CA 3.26Å; Q83-Y99 WeakPolarHBondContact O-CB 3.44Å; Q83-Y99 PolarHBondContact O-N 3.43Å
84S97.9Very high97.7Very high14 Ų1470.3 Ų70.310%0.09835%0.347CS..EExtended strand (participates in β ladder)trans-125.6144.3176.5-42.70000110.3M1 D2 R3 I97 N98M1-S84 PolarHBondContact O-N 2.69Å; D2-S84 WeakPolarHBondContact OD1-CB 3.32Å; D2-S84 PolarHBondContact OD1-OG 2.78Å; R3-S84 WeakPolarHBondContact CB-O 3.27Å; R3-S84 PolarHBondContact N-O 2.73Å; S84-I97 CarbonylContact C-O 3.59Å; S84-I97 VanDerWaalsContact CA-O 3.3Å; S84-I97 WeakPolarHBondContact CA-O 3.16Å; S84-N98 PolarHBondContact OG-OD1 2.94Å
85A97.7Very high97.7Very high42 Ų4270.4 Ų70.435%0.34735%0.35SS..EExtended strand (participates in β ladder)trans-101.6122.5160.600000108.3I97A85-I97 HydrophobicContact CB-CB 4.41Å; A85-I97 PolarHBondContact N-O 3.28Å; A85-I97 PolarHBondContact O-N 2.61Å
86I98.1Very high97.6Very high13 Ų1370.1 Ų70.17%0.06736%0.355CS..EExtended strand (participates in β ladder)trans-122.8129.9-173.9-54-175.8000108.3D2 R3 I4 Y5 V88 I95 I96D2-I86 HydrophobicContact CB-CD1 3.77Å; R3-I86 PolarHBondContact O-N 3.27Å; I4-I86 CarbonylContact C-O 3.55Å; I4-I86 WeakPolarHBondContact CA-O 3.49Å; I4-I86 HydrophobicContact CG1-CB 4.19Å; I4-I86 HydrophobicContact CG1-CD1 4.3Å; I4-I86 HydrophobicContact CG2-CB 4.45Å; I4-I86 HydrophobicContact CG2-CG2 4.32Å; Y5-I86 PolarHBondContact N-O 3.49Å; I86-V88 HydrophobicContact CG2-CG2 3.87Å; I86-I95 CarbonylContact C-O 3.59Å; I86-I95 WeakPolarHBondContact CA-O 3.44Å; I86-I96 HydrophobicContact CD1-CG1 4.41Å; I86-I96 HydrophobicContact CG1-CG1 4.16Å; I86-I96 HydrophobicContact CG1-CG2 4.21Å; I86-I96 HydrophobicContact CG2-CG1 4.1Å
87M98.3Very high97.6Very high45 Ų4574 Ų7422%0.22238%0.377CS..EExtended strand (participates in β ladder)trans-109.1133.3167-71.1172.5-76.600108.6Y5 V7 L10 P11 R94 I95Y5-M87 VanDerWaalsContact O-CA 3.31Å; Y5-M87 WeakPolarHBondContact O-CA 3.36Å; V7-M87 HydrophobicContact CG2-CB 4.49Å; L10-M87 HydrophobicContact CD2-CB 3.87Å; P11-M87 HydrophobicContact CG-CE 3.89Å; P11-M87 HydrophobicContact CG-SD 3.72Å; M87-R94 VanDerWaalsContact O-CA 3.25Å; M87-R94 WeakPolarHBondContact O-CA 3.43Å; M87-I95 HydrophobicContact CE-CB 4.15Å; M87-I95 HydrophobicContact CE-CG2 3.9Å; M87-I95 PolarHBondContact N-O 2.98Å; M87-I95 PolarHBondContact O-N 2.8Å
88V98.4Very high97.5Very high19 Ų1971.2 Ų71.212%0.11536%0.362CS..EExtended strand (participates in β ladder)trans-125.1125.6176.4-174.10000108.8I4 Y5 Y6 V7 I86 E93 R94I4-V88 HydrophobicContact CG2-CG2 3.77Å; Y5-V88 PolarHBondContact O-N 3.09Å; Y6-V88 CarbonylContact C-O 3.56Å; Y6-V88 WeakPolarHBondContact CA-O 3.44Å; Y6-V88 HydrophobicContact CD1-CB 4.11Å; Y6-V88 HydrophobicContact CD1-CG1 4.49Å; Y6-V88 HydrophobicContact CE1-CB 4.32Å; V7-V88 PolarHBondContact N-O 3.03Å; I86-V88 HydrophobicContact CG2-CG2 3.87Å; V88-E93 WeakPolarHBondContact CA-O 3.26Å; V88-R94 HydrophobicContact CG1-CG 4.42Å; V88-R94 HydrophobicContact CG2-CG 4.09Å
89D97.8Very high97.5Very high23 Ų2366.9 Ų66.912%0.12334%0.339CS..  trans-87.7178.6175.775.410.9000113.4V7 L10 K91 G92 E93V7-D89 HydrophobicContact CG2-CB 4.34Å; V7-D89 WeakPolarHBondContact O-CA 3.36Å; L10-D89 HydrophobicContact CD2-CB 4.4Å; L10-D89 HydrophobicContact CG-CB 3.98Å; D89-K91 PolarHBondContact O-N 2.91Å; D89-K91 WeakPolarHBondContact OD1-CA 3.5Å; D89-K91 WeakPolarHBondContact OD1-CB 3.2Å; D89-K91 PolarHBondContact OD1-N 2.93Å; D89-G92 PolarHBondContact O-N 3.28Å; D89-G92 PolarHBondContact OD1-N 3.43Å; D89-E93 PolarHBondContact N-O 3.13Å; D89-E93 PolarHBondContact OD1-N 2.81Å
90T97.6Very high97.4Very high89 Ų8970.7 Ų70.755%0.54636%0.363SS..THydrogen-bonded Turntrans-66.8-15.1179.450.30000114.9E8E8-T90 PolarHBondContact O-OG1 3.27Å; E8-T90 WeakPolarHBondContact OE2-CG2 3.29Å
91K97.6Very high97.4Very high179 Ų17965.2 Ų65.278%0.77834%0.341SS*.THydrogen-bonded Turntrans-90.2-8.1174.4-58.4-179.8-176.4175.30111.8D89 E93D89-K91 PolarHBondContact O-N 2.91Å; D89-K91 WeakPolarHBondContact OD1-CA 3.5Å; D89-K91 WeakPolarHBondContact OD1-CB 3.2Å; D89-K91 PolarHBondContact OD1-N 2.93Å; K91-E93 HydrophobicContact CB-CG 4.44Å
92G96.6Very high97.3Very high36 Ų3669.5 Ų69.537%0.37137%0.368SS..  trans86.56.2-176.400000113.8D89 R94D89-G92 PolarHBondContact O-N 3.28Å; D89-G92 PolarHBondContact OD1-N 3.43Å; G92-R94 WeakPolarHBondContact O-CG 3.47Å
93E98.1Very high97.2Very high123 Ų12370.3 Ų70.358%0.57537%0.369SS*.  trans-69.8150.9173.5-67.4-62.7139.700110.2L10 V88 D89 K91L10-E93 HydrophobicContact CD1-CB 3.71Å; V88-E93 WeakPolarHBondContact CA-O 3.26Å; D89-E93 PolarHBondContact N-O 3.13Å; D89-E93 PolarHBondContact OD1-N 2.81Å; K91-E93 HydrophobicContact CB-CG 4.44Å
94R97.2Very high97.2Very high174 Ų17468.6 Ų68.666%0.65736%0.361SS*.EExtended strand (participates in β ladder)trans-134.8138.8-168.7-45.5-177.5-162174.94.5112.9M87 V88 G92M87-R94 VanDerWaalsContact O-CA 3.25Å; M87-R94 WeakPolarHBondContact O-CA 3.43Å; V88-R94 HydrophobicContact CG1-CG 4.42Å; V88-R94 HydrophobicContact CG2-CG 4.09Å; G92-R94 WeakPolarHBondContact O-CG 3.47Å
95I97.2Very high97.1Very high60 Ų6072.2 Ų72.231%0.30838%0.379SS..EExtended strand (participates in β ladder)trans-111.3128.3160-68.7171.5000107.5L10 P11 I86 M87L10-I95 HydrophobicContact CB-CD1 4.07Å; L10-I95 HydrophobicContact CD1-CD1 4.3Å; L10-I95 HydrophobicContact CD1-CG1 4.03Å; L10-I95 HydrophobicContact CD2-CB 4.4Å; L10-I95 HydrophobicContact CD2-CD1 4.18Å; L10-I95 HydrophobicContact CD2-CG1 4.09Å; L10-I95 HydrophobicContact CG-CD1 4.41Å; L10-I95 HydrophobicContact CG-CG1 4.48Å; P11-I95 HydrophobicContact CG-CD1 4.32Å; I86-I95 CarbonylContact C-O 3.59Å; I86-I95 WeakPolarHBondContact CA-O 3.44Å; M87-I95 HydrophobicContact CE-CB 4.15Å; M87-I95 HydrophobicContact CE-CG2 3.9Å; M87-I95 PolarHBondContact N-O 2.98Å; M87-I95 PolarHBondContact O-N 2.8Å
96I97.4Very high97Very high102 Ų10273.8 Ų73.852%0.52339%0.386SS..EExtended strand (participates in β ladder)trans-121123.8179.9-58.2174.1000108.7I86I86-I96 HydrophobicContact CD1-CG1 4.41Å; I86-I96 HydrophobicContact CG1-CG1 4.16Å; I86-I96 HydrophobicContact CG1-CG2 4.21Å; I86-I96 HydrophobicContact CG2-CG1 4.1Å
97I97.3Very high96.9Very high108 Ų10875.8 Ų75.855%0.55440%0.397SS*.EExtended strand (participates in β ladder)trans-110.2105.1170-55172.9000106.8S84 A85S84-I97 CarbonylContact C-O 3.59Å; S84-I97 VanDerWaalsContact CA-O 3.3Å; S84-I97 WeakPolarHBondContact CA-O 3.16Å; A85-I97 HydrophobicContact CB-CB 4.41Å; A85-I97 PolarHBondContact N-O 3.28Å; A85-I97 PolarHBondContact O-N 2.61Å
98N95.6Very high96.9Very high69 Ų6973.9 Ų73.937%0.36939%0.388SS..EExtended strand (participates in β ladder)trans-91.8136.5-179-170.623.2000111.1Q83 S84 P100Q83-N98 PolarHBondContact O-OD1 2.86Å; S84-N98 PolarHBondContact OG-OD1 2.94Å; N98-P100 WeakPolarHBondContact O-CD 3.48Å
99Y96.3Very high96.9Very high84 Ų8478.6 Ų78.633%0.32941%0.409SS..EExtended strand (participates in β ladder)trans-113.187.8168.1-180-99.8000108.3K80 S82 Q83 S101K80-Y99 HydrophobicContact CB-CE1 4.31Å; S82-Y99 WeakPolarHBondContact CA-O 3.37Å; Q83-Y99 HydrophobicContact CG-CD1 4.11Å; Q83-Y99 HydrophobicContact CG-CG 4.5Å; Q83-Y99 PolarHBondContact N-O 2.9Å; Q83-Y99 WeakPolarHBondContact O-CA 3.26Å; Q83-Y99 WeakPolarHBondContact O-CB 3.44Å; Q83-Y99 PolarHBondContact O-N 3.43Å; Y99-S101 PolarHBondContact O-N 3.34Å
100P95.1Very high96.8Very high86 Ų8679.4 Ų79.456%0.55841%0.41SS*.  trans-68117.4165.629.1-31000107.5N98 P102N98-P100 WeakPolarHBondContact O-CD 3.48Å; P100-P102 WeakPolarHBondContact O-CD 3.04Å
101S97Very high96.9Very high9 Ų975.2 Ų75.26%0.06339%0.385CS..  trans-65.8122.2-175.8173.80000110.7K80 S82 Y99 D103 L104K80-S101 WeakPolarHBondContact O-CB 3.44Å; K80-S101 PolarHBondContact O-OG 3.43Å; S82-S101 PolarHBondContact OG-N 2.96Å; Y99-S101 PolarHBondContact O-N 3.34Å; S101-D103 PolarHBondContact O-N 2.6Å; S101-D103 PolarHBondContact OG-N 3.43Å; S101-L104 PolarHBondContact O-N 3.35Å
102P96.2Very high96.9Very high91 Ų9172.6 Ų72.659%0.59138%0.375SS*.THydrogen-bonded Turntrans-71-15.817531.6-35.2000112.3P100 L104P100-P102 WeakPolarHBondContact O-CD 3.04Å; P102-L104 VanDerWaalsContact C-N 3.26Å; P102-L104 PolarHBondContact O-N 2.7Å
103D97.3Very high96.9Very high60 Ų6079.3 Ų79.332%0.32140%0.397SS..THydrogen-bonded Turntrans-74.8-20.3179.7-52.2-32000111.7A79 K80 S101 L105A79-D103 HydrophobicContact CB-CB 3.48Å; A79-D103 VanDerWaalsContact CB-CB 3.48Å; K80-D103 PolarHBondContact N-OD2 2.89Å; S101-D103 PolarHBondContact O-N 2.6Å; S101-D103 PolarHBondContact OG-N 3.43Å; D103-L105 PolarHBondContact O-N 2.9Å; D103-L105 VanDerWaalsContact O-N 3.09Å
104L97.2Very high96.9Very high14 Ų1474.3 Ų74.37%0.07337%0.374CS..SBendtrans-83.785.5176.6-53.9-178.1000109.4R49 V50 Y76 A79 S101 P102R49-L104 HydrophobicContact CB-CB 4.34Å; R49-L104 HydrophobicContact CB-CD1 4.46Å; R49-L104 HydrophobicContact CB-CD2 4.48Å; R49-L104 PolarHBondContact NH1-O 3.04Å; V50-L104 WeakPolarHBondContact O-CD2 3.38Å; Y76-L104 HydrophobicContact CD2-CD2 3.92Å; Y76-L104 HydrophobicContact CG-CD2 4.34Å; A79-L104 HydrophobicContact CB-CD2 4.48Å; S101-L104 PolarHBondContact O-N 3.35Å; P102-L104 VanDerWaalsContact C-N 3.26Å; P102-L104 PolarHBondContact O-N 2.7Å
105L95.7Very high96.9Very high91 Ų9170.7 Ų70.748%0.47637%0.368SS..  trans-54.8141.7-175.3-62.2-175.4000112.1R49 Y76 D103 D107R49-L105 VanDerWaalsContact NH1-C 3.28Å; R49-L105 PolarHBondContact NH1-O 3Å; Y76-L105 HydrophobicContact CD1-CG 4.24Å; Y76-L105 HydrophobicContact CE1-CB 3.62Å; Y76-L105 HydrophobicContact CE1-CD1 3.9Å; Y76-L105 HydrophobicContact CE1-CG 3.71Å; Y76-L105 PolarHBondContact OH-O 3.09Å; D103-L105 PolarHBondContact O-N 2.9Å; D103-L105 VanDerWaalsContact O-N 3.09Å; L105-D107 WeakPolarHBondContact CB-OD1 3.42Å; L105-D107 PolarHBondContact O-N 3.01Å; L105-D107 VanDerWaalsContact O-N 3.15Å
106P95.8Very high97Very high75 Ų7568.1 Ų68.149%0.48735%0.354SS..  trans-71.2-5.3-176.931.4-36.7000113.6A108 W128 D130P106-A108 PolarHBondContact O-N 2.93Å; P106-W128 PolarHBondContact O-NE1 3.09Å; P106-D130 WeakPolarHBondContact O-CB 3.4Å
107D95.7Very high97.1Very high55 Ų5566.6 Ų66.629%0.29435%0.353SS..  trans-56131-17767.7-74.5000112.1K74 Y76 L105 W110 W128K74-D107 IonicContact NZ-OD2 3.58Å; K74-D107 PolarHBondContact NZ-OD2 3.24Å; Y76-D107 PolarHBondContact OH-OD1 3.08Å; Y76-D107 PolarHBondContact OH-OD2 3.19Å; L105-D107 WeakPolarHBondContact CB-OD1 3.42Å; L105-D107 PolarHBondContact O-N 3.01Å; L105-D107 VanDerWaalsContact O-N 3.15Å; D107-W110 PolarHBondContact O-NE1 3Å; D107-W128 WeakPolarHBondContact O-CZ2 3.34Å
108A97.4Very high97.1Very high5 Ų565.2 Ų65.24%0.04134%0.344CS..  trans-122.21.8-177.500000113P106 W110 L111 W128 D130 K134P106-A108 PolarHBondContact O-N 2.93Å; A108-W110 PolarHBondContact O-N 2.73Å; A108-L111 HydrophobicContact CB-CD1 4.14Å; A108-L111 VanDerWaalsContact O-CB 3.23Å; A108-L111 WeakPolarHBondContact O-CB 3.34Å; A108-L111 WeakPolarHBondContact O-CG 3.13Å; A108-L111 PolarHBondContact O-N 3.04Å; A108-W128 HydrophobicContact CB-CH2 4.34Å; A108-W128 HydrophobicContact CB-CZ2 3.63Å; A108-D130 HydrophobicContact CB-CB 4.3Å; A108-K134 HydrophobicContact CB-CB 3.82Å; A108-K134 HydrophobicContact CB-CG 4.2Å
109E97.9Very high97.2Very high117 Ų11763.7 Ų63.755%0.54733%0.333SS..G310 helixtrans-61-31.9-176.7-63.6-52.3138.400112.9L111 E112 K134E109-L111 PolarHBondContact O-N 2.83Å; E109-E112 WeakPolarHBondContact O-CB 3.42Å; E109-E112 WeakPolarHBondContact O-CG 3.36Å; E109-E112 PolarHBondContact O-N 3.49Å; E109-K134 IonicContact OE1-NZ 2.7Å; E109-K134 IonicContact OE2-NZ 2.64Å; E109-K134 PolarHBondContact OE2-NZ 2.78Å
110W97.2Very high97.3Very high41 Ų4167 Ų6716%0.15536%0.356CS..G310 helixtrans-60.6-16.1174.761.9-88.5000113.7I47 R49 K74 D107 A108 E112 E113 I114 W128I47-W110 HydrophobicContact CG2-CH2 3.86Å; I47-W110 HydrophobicContact CG2-CZ3 4.32Å; R49-W110 HydrophobicContact CG-CZ2 4.23Å; K74-W110 HydrophobicContact CB-CH2 3.94Å; K74-W110 HydrophobicContact CB-CZ2 3.77Å; K74-W110 HydrophobicContact CB-CZ3 4.42Å; K74-W110 HydrophobicContact CD-CD2 3.89Å; K74-W110 HydrophobicContact CD-CG 3.98Å; K74-W110 HydrophobicContact CD-CZ2 4.05Å; D107-W110 PolarHBondContact O-NE1 3Å; A108-W110 PolarHBondContact O-N 2.73Å; W110-E112 PolarHBondContact O-N 3.02Å; W110-E113 PolarHBondContact O-N 2.86Å; W110-I114 HydrophobicContact CE3-CD1 4.4Å; W110-I114 HydrophobicContact CZ3-CD1 4.01Å; W110-W128 AromaticContact CE2-CH2 3.79Å; W110-W128 HydrophobicContact CH2-CH2 4.03Å; W110-W128 HydrophobicContact CH2-CZ3 4.41Å; W110-W128 AromaticContact CZ2-CH2 3.23Å; W110-W128 HydrophobicContact CZ2-CH2 3.23Å; W110-W128 HydrophobicContact CZ2-CZ2 4.01Å; W110-W128 AromaticContact CZ2-CZ3 3.93Å; W110-W128 HydrophobicContact CZ2-CZ3 3.93Å; W110-W128 AromaticContact NE1-CZ2 3.99Å
111L98.4Very high97.5Very high1 Ų166.4 Ų66.41%0.00535%0.351CS..G310 helixtrans-68.4-19.6172.6-62.4179.7000112.8I47 A108 E109 E113 I114 F116 W128 K134 A135 L138I47-L111 HydrophobicContact CG2-CD2 3.56Å; A108-L111 HydrophobicContact CB-CD1 4.14Å; A108-L111 VanDerWaalsContact O-CB 3.23Å; A108-L111 WeakPolarHBondContact O-CB 3.34Å; A108-L111 WeakPolarHBondContact O-CG 3.13Å; A108-L111 PolarHBondContact O-N 3.04Å; E109-L111 PolarHBondContact O-N 2.83Å; L111-E113 PolarHBondContact O-N 2.79Å; L111-I114 HydrophobicContact CD2-CD1 3.77Å; L111-I114 WeakPolarHBondContact O-CB 3.27Å; L111-I114 PolarHBondContact O-N 2.82Å; L111-I114 VanDerWaalsContact O-N 3.1Å; L111-F116 HydrophobicContact CB-CE2 4.4Å; L111-W128 HydrophobicContact CD1-CH2 3.78Å; L111-W128 HydrophobicContact CD1-CZ2 4.49Å; L111-W128 HydrophobicContact CD1-CZ3 4.31Å; L111-W128 HydrophobicContact CD2-CH2 4.15Å; L111-W128 HydrophobicContact CG-CH2 4.07Å; L111-K134 HydrophobicContact CB-CG 4.1Å; L111-K134 HydrophobicContact CD1-CB 4.05Å; L111-K134 HydrophobicContact CD1-CG 4.17Å; L111-A135 HydrophobicContact CD1-CB 4.21Å; L111-L138 HydrophobicContact CB-CD1 3.98Å; L111-L138 VanDerWaalsContact O-CD1 3.29Å; L111-L138 WeakPolarHBondContact O-CD1 3.38Å
112E98Very high97.6Very high123 Ų12366.6 Ų66.658%0.57535%0.352SS*.G310 helixtrans-63.3-21.5175.1-65.4-168.1161.600113E109 W110 I114 K134E109-E112 WeakPolarHBondContact O-CB 3.42Å; E109-E112 WeakPolarHBondContact O-CG 3.36Å; E109-E112 PolarHBondContact O-N 3.49Å; W110-E112 PolarHBondContact O-N 3.02Å; E112-I114 PolarHBondContact O-N 2.95Å; E112-K134 WeakPolarHBondContact OE1-CE 3.14Å; E112-K134 IonicContact OE1-NZ 2.73Å; E112-K134 PolarHBondContact OE1-NZ 2.96Å
113E97.3Very high97.7Very high177 Ų17766.1 Ų66.183%0.82734%0.344SS*.G310 helixtrans-78.6-8.8177.6-59179.6-173.300112.6W110 L111W110-E113 PolarHBondContact O-N 2.86Å; L111-E113 PolarHBondContact O-N 2.79Å
114I97.9Very high97.7Very high19 Ų1963.9 Ų63.910%0.09733%0.334CS..SBendtrans-96.6125.9-177.7-58.9179.7000109.5I47 Y72 W110 L111 E112 F116 W119I47-I114 HydrophobicContact CD1-CD1 4.43Å; Y72-I114 HydrophobicContact CD1-CD1 3.71Å; Y72-I114 HydrophobicContact CD1-CG1 3.98Å; Y72-I114 HydrophobicContact CD1-CG2 4.25Å; Y72-I114 HydrophobicContact CE1-CD1 4.46Å; Y72-I114 HydrophobicContact CE1-CG1 4.29Å; Y72-I114 HydrophobicContact CE1-CG2 4.09Å; Y72-I114 HydrophobicContact CG-CD1 4.29Å; W110-I114 HydrophobicContact CE3-CD1 4.4Å; W110-I114 HydrophobicContact CZ3-CD1 4.01Å; L111-I114 HydrophobicContact CD2-CD1 3.77Å; L111-I114 WeakPolarHBondContact O-CB 3.27Å; L111-I114 PolarHBondContact O-N 2.82Å; L111-I114 VanDerWaalsContact O-N 3.1Å; E112-I114 PolarHBondContact O-N 2.95Å; I114-F116 HydrophobicContact CB-CD2 4.26Å; I114-F116 HydrophobicContact CB-CE2 3.95Å; I114-F116 HydrophobicContact CG2-CD2 4.11Å; I114-F116 HydrophobicContact CG2-CE2 3.98Å; I114-F116 WeakPolarHBondContact O-CD2 3.45Å; I114-F116 PolarHBondContact O-N 2.87Å; I114-F116 VanDerWaalsContact O-N 3.17Å; I114-W119 HydrophobicContact CG2-CH2 3.36Å; I114-W119 HydrophobicContact CG2-CZ3 3.53Å
115D98.1Very high97.7Very high98 Ų9864.2 Ų64.252%0.52434%0.336SS..  trans-75102.2169.6-179.14.9000110.3S117 Q118D115-S117 VanDerWaalsContact CG-OG 3.24Å; D115-S117 PolarHBondContact O-N 2.83Å; D115-S117 VanDerWaalsContact OD1-CB 3.27Å; D115-S117 WeakPolarHBondContact OD1-CB 3.33Å; D115-S117 PolarHBondContact OD1-N 3.44Å; D115-S117 PolarHBondContact OD1-OG 3.42Å; D115-S117 PolarHBondContact OD2-OG 2.95Å; D115-Q118 VanDerWaalsContact O-CG 3.29Å; D115-Q118 WeakPolarHBondContact O-CG 3.36Å; D115-Q118 PolarHBondContact O-NE2 3.24Å
116F98.5Very high97.6Very high5 Ų563.6 Ų63.62%0.02234%0.336CS..G310 helixtrans-72.8-13.6179.1-84.6-95.3000114.2I47 L111 I114 Q118 W119 V122 A135 L138 A139 A142 V144I47-F116 HydrophobicContact CD1-CE1 3.98Å; I47-F116 HydrophobicContact CD1-CZ 3.89Å; L111-F116 HydrophobicContact CB-CE2 4.4Å; I114-F116 HydrophobicContact CB-CD2 4.26Å; I114-F116 HydrophobicContact CB-CE2 3.95Å; I114-F116 HydrophobicContact CG2-CD2 4.11Å; I114-F116 HydrophobicContact CG2-CE2 3.98Å; I114-F116 WeakPolarHBondContact O-CD2 3.45Å; I114-F116 PolarHBondContact O-N 2.87Å; I114-F116 VanDerWaalsContact O-N 3.17Å; F116-Q118 PolarHBondContact O-N 2.97Å; F116-Q118 VanDerWaalsContact O-N 3.17Å; F116-W119 HydrophobicContact CB-CE3 4.32Å; F116-W119 HydrophobicContact CB-CZ3 4.36Å; F116-W119 AromaticContact CD1-CE3 3.73Å; F116-W119 HydrophobicContact CD1-CE3 3.73Å; F116-W119 AromaticContact CD1-CZ3 3.61Å; F116-W119 HydrophobicContact CD1-CZ3 3.61Å; F116-W119 HydrophobicContact CD2-CZ3 4.36Å; F116-W119 HydrophobicContact CE1-CE3 4.3Å; F116-W119 AromaticContact CE1-CZ3 3.9Å; F116-W119 HydrophobicContact CE1-CZ3 3.9Å; F116-W119 HydrophobicContact CG-CE3 4.17Å; F116-W119 AromaticContact CG-CZ3 3.88Å; F116-W119 HydrophobicContact CG-CZ3 3.88Å; F116-W119 HydrophobicContact CZ-CZ3 4.39Å; F116-W119 PolarHBondContact O-N 2.82Å; F116-V122 HydrophobicContact CD1-CG2 3.78Å; F116-V122 HydrophobicContact CE1-CG1 4.36Å; F116-V122 HydrophobicContact CE1-CG2 4.09Å; F116-A135 HydrophobicContact CE1-CB 3.85Å; F116-A135 HydrophobicContact CZ-CB 3.79Å; F116-L138 HydrophobicContact CB-CB 4.4Å; F116-L138 HydrophobicContact CD2-CB 3.52Å; F116-L138 HydrophobicContact CD2-CD1 3.88Å; F116-L138 HydrophobicContact CD2-CG 4.34Å; F116-L138 HydrophobicContact CE2-CB 3.93Å; F116-L138 HydrophobicContact CE2-CD1 3.59Å; F116-L138 HydrophobicContact CE2-CG 4.42Å; F116-L138 HydrophobicContact CG-CB 3.96Å; F116-A139 HydrophobicContact CD1-CB 4.12Å; F116-A142 HydrophobicContact CB-CB 4.48Å; F116-V144 WeakPolarHBondContact O-CG2 3.38Å
117S98.4Very high97.5Very high71 Ų7168.2 Ų68.250%0.49734%0.343SS..G310 helixtrans-68.7-11179.574.60000113.8D115 W119D115-S117 VanDerWaalsContact CG-OG 3.24Å; D115-S117 PolarHBondContact O-N 2.83Å; D115-S117 VanDerWaalsContact OD1-CB 3.27Å; D115-S117 WeakPolarHBondContact OD1-CB 3.33Å; D115-S117 PolarHBondContact OD1-N 3.44Å; D115-S117 PolarHBondContact OD1-OG 3.42Å; D115-S117 PolarHBondContact OD2-OG 2.95Å; S117-W119 PolarHBondContact O-N 2.95Å
118Q97.9Very high97.6Very high79 Ų7967 Ų6737%0.36933%0.334SS..G310 helixtrans-73.4-10.3177.777.5-172.2-68.300114.1Y72 D115 F116Y72-Q118 PolarHBondContact OH-NE2 3.09Å; Y72-Q118 VanDerWaalsContact OH-NE2 3.17Å; Y72-Q118 PolarHBondContact OH-OE1 2.87Å; D115-Q118 VanDerWaalsContact O-CG 3.29Å; D115-Q118 WeakPolarHBondContact O-CG 3.36Å; D115-Q118 PolarHBondContact O-NE2 3.24Å; F116-Q118 PolarHBondContact O-N 2.97Å; F116-Q118 VanDerWaalsContact O-N 3.17Å
119W98.4Very high97.5Very high36 Ų3673.1 Ų73.114%0.13636%0.362CS..  trans-113.5149.2-178.8-62.9-65000112.5D45 I47 Y72 I114 F116 S117 V144D45-W119 HydrophobicContact CB-CZ2 3.82Å; D45-W119 PolarHBondContact OD2-NE1 2.57Å; I47-W119 HydrophobicContact CD1-CH2 3.84Å; I47-W119 HydrophobicContact CD1-CZ2 4.45Å; I47-W119 HydrophobicContact CD1-CZ3 4.17Å; Y72-W119 HydrophobicContact CD2-CH2 4.19Å; Y72-W119 AromaticContact CD2-CZ2 3.83Å; Y72-W119 HydrophobicContact CD2-CZ2 3.83Å; Y72-W119 AromaticContact CE2-CH2 4Å; Y72-W119 HydrophobicContact CE2-CH2 4Å; Y72-W119 AromaticContact CE2-CZ2 3.53Å; Y72-W119 HydrophobicContact CE2-CZ2 3.53Å; I114-W119 HydrophobicContact CG2-CH2 3.36Å; I114-W119 HydrophobicContact CG2-CZ3 3.53Å; F116-W119 HydrophobicContact CB-CE3 4.32Å; F116-W119 HydrophobicContact CB-CZ3 4.36Å; F116-W119 AromaticContact CD1-CE3 3.73Å; F116-W119 HydrophobicContact CD1-CE3 3.73Å; F116-W119 AromaticContact CD1-CZ3 3.61Å; F116-W119 HydrophobicContact CD1-CZ3 3.61Å; F116-W119 HydrophobicContact CD2-CZ3 4.36Å; F116-W119 HydrophobicContact CE1-CE3 4.3Å; F116-W119 AromaticContact CE1-CZ3 3.9Å; F116-W119 HydrophobicContact CE1-CZ3 3.9Å; F116-W119 HydrophobicContact CG-CE3 4.17Å; F116-W119 AromaticContact CG-CZ3 3.88Å; F116-W119 HydrophobicContact CG-CZ3 3.88Å; F116-W119 HydrophobicContact CZ-CZ3 4.39Å; F116-W119 PolarHBondContact O-N 2.82Å; S117-W119 PolarHBondContact O-N 2.95Å; W119-V144 VanDerWaalsContact O-CG1 3.27Å; W119-V144 WeakPolarHBondContact O-CG1 3.06Å; W119-V144 WeakPolarHBondContact O-CG2 3.36Å
120D98.6Very high97.5Very high154 Ų15471.7 Ų71.782%0.82436%0.358SS*.SBendtrans-80.5-29.7172.1-57.9-64.7000112.5M145D120-M145 PolarHBondContact O-N 3.22Å
121V98.7Very high97.5Very high73 Ų7369.9 Ų69.944%0.44235%0.352SS..EExtended strand (participates in β ladder)trans-148.4142.7-177.163.40000111.3M145 V147V121-M145 CarbonylContact C-O 3.45Å; V121-M145 WeakPolarHBondContact CA-O 3.32Å; V121-M145 HydrophobicContact CB-CB 4.39Å; V121-M145 HydrophobicContact CG2-CB 4.22Å; V121-M145 HydrophobicContact CG2-CG 4.25Å; V121-M145 HydrophobicContact CG2-SD 4.49Å; V121-V147 HydrophobicContact CG2-CG2 3.81Å
122V98.7Very high97.5Very high14 Ų1470.4 Ų70.49%0.08536%0.357CS..EExtended strand (participates in β ladder)trans-116.4117.91691800000108.9F116 A135 F136 A139 V144 M145 T146 V147F116-V122 HydrophobicContact CD1-CG2 3.78Å; F116-V122 HydrophobicContact CE1-CG1 4.36Å; F116-V122 HydrophobicContact CE1-CG2 4.09Å; V122-A135 HydrophobicContact CG1-CB 4.37Å; V122-F136 HydrophobicContact CG1-CD1 4.03Å; V122-F136 HydrophobicContact CG1-CE1 4.03Å; V122-A139 HydrophobicContact CB-CB 4.14Å; V122-A139 HydrophobicContact CG2-CB 3.7Å; V122-V144 HydrophobicContact CG2-CG1 4.02Å; V122-M145 PolarHBondContact N-O 3.42Å; V122-T146 CarbonylContact O-C 3.56Å; V122-T146 WeakPolarHBondContact O-CA 3.4Å; V122-V147 PolarHBondContact O-N 2.97Å
123L98.7Very high97.5Very high80 Ų8071.8 Ų71.842%0.41936%0.361SS..EExtended strand (participates in β ladder)trans-100.6134.8170.3-177.5149.6000109.4A33 V147A33-L123 HydrophobicContact CB-CD1 4.29Å; A33-L123 HydrophobicContact CB-CD2 3.85Å; L123-V147 VanDerWaalsContact CA-O 3.28Å; L123-V147 WeakPolarHBondContact CA-O 3.35Å; L123-V147 HydrophobicContact CB-CB 4.48Å; L123-V147 HydrophobicContact CD1-CG1 4.24Å
124A98.3Very high97.6Very high14 Ų1465 Ų6512%0.11633%0.329CS..EExtended strand (participates in β ladder)trans-137.1149.2172.300000111.2A132 F136 V147 D149A124-A132 HydrophobicContact CB-CB 3.79Å; A124-F136 HydrophobicContact CB-CD1 4.39Å; A124-F136 HydrophobicContact CB-CE1 3.51Å; A124-F136 HydrophobicContact CB-CE2 4.45Å; A124-F136 HydrophobicContact CB-CZ 3.53Å; A124-V147 PolarHBondContact N-O 2.78Å; A124-V147 VanDerWaalsContact N-O 3.09Å; A124-D149 PolarHBondContact O-N 3.45Å
125D96.2Very high97.6Very high20 Ų2064.5 Ų64.511%0.10733%0.327CS..  trans-98.5179.1170.274.226000111.4P29 A30 R127P29-D125 HydrophobicContact CB-CB 3.79Å; P29-D125 WeakPolarHBondContact CD-OD2 3.28Å; P29-D125 HydrophobicContact CG-CB 4.25Å; A30-D125 HydrophobicContact CB-CB 4.36Å; A30-D125 WeakPolarHBondContact CB-OD2 3.48Å; A30-D125 PolarHBondContact N-OD2 3.32Å; D125-R127 VanDerWaalsContact OD1-CB 3.27Å; D125-R127 WeakPolarHBondContact OD1-CB 3.03Å; D125-R127 PolarHBondContact OD1-N 3.48Å
126V94.2Very high97.6Very high79 Ų7961.3 Ų61.348%0.47931%0.309SS..SBendtrans-91.211.7-179.2-61.10000114.8H129 L148V126-H129 PolarHBondContact O-CD2 2.68Å; V126-H129 PolarHBondContact O-NE2 3.15Å; V126-H129 VanDerWaalsContact O-NE2 3.1Å; V126-L148 HydrophobicContact CG1-CD1 4.31Å
127R94.1Very high97.6Very high172 Ų17264.1 Ų64.165%0.64933%0.326SS*.SBendtrans-79.8-22.5-178.2-62.6-67.5-178.4175.5-1.9113.2D125D125-R127 VanDerWaalsContact OD1-CB 3.27Å; D125-R127 WeakPolarHBondContact OD1-CB 3.03Å; D125-R127 PolarHBondContact OD1-N 3.48Å
128W96.4Very high97.6Very high28 Ų2862.1 Ų62.111%0.10631%0.31CS..SBendtrans-129.977.4176.7-177.122.5000110.2I47 R49 P106 D107 A108 W110 L111 D130 G131 A132I47-W128 HydrophobicContact CG2-CZ3 4.4Å; R49-W128 VanDerWaalsContact NE-CE2 3.34Å; R49-W128 VanDerWaalsContact NH2-CB 3.26Å; R49-W128 VanDerWaalsContact NH2-CD1 3.28Å; P106-W128 PolarHBondContact O-NE1 3.09Å; D107-W128 WeakPolarHBondContact O-CZ2 3.34Å; A108-W128 HydrophobicContact CB-CH2 4.34Å; A108-W128 HydrophobicContact CB-CZ2 3.63Å; W110-W128 AromaticContact CE2-CH2 3.79Å; W110-W128 HydrophobicContact CH2-CH2 4.03Å; W110-W128 HydrophobicContact CH2-CZ3 4.41Å; W110-W128 AromaticContact CZ2-CH2 3.23Å; W110-W128 HydrophobicContact CZ2-CH2 3.23Å; W110-W128 HydrophobicContact CZ2-CZ2 4.01Å; W110-W128 AromaticContact CZ2-CZ3 3.93Å; W110-W128 HydrophobicContact CZ2-CZ3 3.93Å; W110-W128 AromaticContact NE1-CZ2 3.99Å; L111-W128 HydrophobicContact CD1-CH2 3.78Å; L111-W128 HydrophobicContact CD1-CZ2 4.49Å; L111-W128 HydrophobicContact CD1-CZ3 4.31Å; L111-W128 HydrophobicContact CD2-CH2 4.15Å; L111-W128 HydrophobicContact CG-CH2 4.07Å; W128-D130 VanDerWaalsContact C-N 3.33Å; W128-D130 PolarHBondContact O-N 2.84Å; W128-G131 VanDerWaalsContact CD2-CA 3.42Å; W128-G131 PolarHBondContact O-N 2.9Å; W128-G131 VanDerWaalsContact O-N 3.09Å; W128-A132 PolarHBondContact O-N 2.78Å
129H96.5Very high97.7Very high135 Ų13558.3 Ų58.363%0.62529%0.292SS*.Hα-helixtrans-51.3-47.6-173.4-60.3140.7000113.7V126 A132 K133V126-H129 PolarHBondContact O-CD2 2.68Å; V126-H129 PolarHBondContact O-NE2 3.15Å; V126-H129 VanDerWaalsContact O-NE2 3.1Å; H129-A132 PolarHBondContact O-N 2.62Å; H129-K133 VanDerWaalsContact O-CB 3.32Å; H129-K133 WeakPolarHBondContact O-CB 3.48Å; H129-K133 PolarHBondContact O-N 2.81Å
130D97.3Very high97.7Very high87 Ų8765 Ų6547%0.46532%0.317SS..Hα-helixtrans-66.4-39-178.6-67.8-32.8000111.9P106 A108 W128 K134P106-D130 WeakPolarHBondContact O-CB 3.4Å; A108-D130 HydrophobicContact CB-CB 4.3Å; W128-D130 VanDerWaalsContact C-N 3.33Å; W128-D130 PolarHBondContact O-N 2.84Å; D130-K134 VanDerWaalsContact O-CB 3.26Å; D130-K134 WeakPolarHBondContact O-CB 3.47Å; D130-K134 PolarHBondContact O-N 3.39Å
131G97.9Very high97.7Very high2 Ų264.6 Ų64.62%0.02131%0.311CS..Hα-helixtrans-65.4-48174.200000112.9W128 K133 K134 A135W128-G131 VanDerWaalsContact CD2-CA 3.42Å; W128-G131 PolarHBondContact O-N 2.9Å; W128-G131 VanDerWaalsContact O-N 3.09Å; G131-K133 VanDerWaalsContact C-N 3.33Å; G131-K133 PolarHBondContact O-N 2.86Å; G131-K134 PolarHBondContact O-N 3.25Å; G131-A135 WeakPolarHBondContact O-CB 3.18Å; G131-A135 PolarHBondContact O-N 2.93Å
132A98.1Very high97.7Very high13 Ų1363.3 Ų63.311%0.10731%0.308CS..Hα-helixtrans-58.4-46.5177.300000111.1A124 W128 H129 F136A124-A132 HydrophobicContact CB-CB 3.79Å; W128-A132 PolarHBondContact O-N 2.78Å; H129-A132 PolarHBondContact O-N 2.62Å; A132-F136 WeakPolarHBondContact O-CB 3.3Å; A132-F136 WeakPolarHBondContact O-CG 3.35Å; A132-F136 PolarHBondContact O-N 3.06Å
133K98.1Very high97.7Very high152 Ų15266 Ų6666%0.66134%0.338SS*.Hα-helixtrans-60.3-48.2176.8-178.9-178.9175.4-1740111.9H129 G131 T137H129-K133 VanDerWaalsContact O-CB 3.32Å; H129-K133 WeakPolarHBondContact O-CB 3.48Å; H129-K133 PolarHBondContact O-N 2.81Å; G131-K133 VanDerWaalsContact C-N 3.33Å; G131-K133 PolarHBondContact O-N 2.86Å; K133-T137 WeakPolarHBondContact O-CB 3.35Å; K133-T137 PolarHBondContact O-N 2.75Å; K133-T137 PolarHBondContact O-OG1 3.49Å
134K98.3Very high97.7Very high35 Ų3563 Ų6315%0.15232%0.323CS..Hα-helixtrans-67-48.1-178.3-171.977.8173.1-159.60111.3A108 E109 L111 E112 D130 G131 F136 T137 L138A108-K134 HydrophobicContact CB-CB 3.82Å; A108-K134 HydrophobicContact CB-CG 4.2Å; E109-K134 IonicContact OE1-NZ 2.7Å; E109-K134 IonicContact OE2-NZ 2.64Å; E109-K134 PolarHBondContact OE2-NZ 2.78Å; L111-K134 HydrophobicContact CB-CG 4.1Å; L111-K134 HydrophobicContact CD1-CB 4.05Å; L111-K134 HydrophobicContact CD1-CG 4.17Å; E112-K134 WeakPolarHBondContact OE1-CE 3.14Å; E112-K134 IonicContact OE1-NZ 2.73Å; E112-K134 PolarHBondContact OE1-NZ 2.96Å; D130-K134 VanDerWaalsContact O-CB 3.26Å; D130-K134 WeakPolarHBondContact O-CB 3.47Å; D130-K134 PolarHBondContact O-N 3.39Å; G131-K134 PolarHBondContact O-N 3.25Å; K134-F136 PolarHBondContact O-N 3.28Å; K134-T137 WeakPolarHBondContact O-CB 3.39Å; K134-T137 PolarHBondContact O-N 3.36Å; K134-T137 VanDerWaalsContact O-N 3.13Å; K134-L138 HydrophobicContact CG-CD1 4.12Å; K134-L138 WeakPolarHBondContact O-CG 3.36Å; K134-L138 PolarHBondContact O-N 2.6Å
135A98.5Very high97.7Very high8 Ų868.4 Ų68.47%0.06635%0.347CS..Hα-helixtrans-57.9-46.9177.300000111.8L111 F116 V122 G131 T137 L138 A139L111-A135 HydrophobicContact CD1-CB 4.21Å; F116-A135 HydrophobicContact CE1-CB 3.85Å; F116-A135 HydrophobicContact CZ-CB 3.79Å; V122-A135 HydrophobicContact CG1-CB 4.37Å; G131-A135 WeakPolarHBondContact O-CB 3.18Å; G131-A135 PolarHBondContact O-N 2.93Å; A135-T137 VanDerWaalsContact C-N 3.31Å; A135-T137 PolarHBondContact O-N 3.1Å; A135-L138 PolarHBondContact O-N 3.16Å; A135-A139 WeakPolarHBondContact O-CB 3.4Å; A135-A139 PolarHBondContact O-N 3.04Å
136F98.6Very high97.8Very high30 Ų3068.8 Ų68.813%0.13235%0.35CS..Hα-helixtrans-65.9-33.9176.8-74-2.2000113.2V122 A124 A132 K134 R140 T146 V147 L148V122-F136 HydrophobicContact CG1-CD1 4.03Å; V122-F136 HydrophobicContact CG1-CE1 4.03Å; A124-F136 HydrophobicContact CB-CD1 4.39Å; A124-F136 HydrophobicContact CB-CE1 3.51Å; A124-F136 HydrophobicContact CB-CE2 4.45Å; A124-F136 HydrophobicContact CB-CZ 3.53Å; A132-F136 WeakPolarHBondContact O-CB 3.3Å; A132-F136 WeakPolarHBondContact O-CG 3.35Å; A132-F136 PolarHBondContact O-N 3.06Å; K134-F136 PolarHBondContact O-N 3.28Å; F136-R140 VanDerWaalsContact O-CB 3.29Å; F136-R140 WeakPolarHBondContact O-CB 3.28Å; F136-R140 VanDerWaalsContact O-CG 3.25Å; F136-R140 WeakPolarHBondContact O-CG 3.31Å; F136-R140 PolarHBondContact O-N 2.86Å; F136-T146 HydrophobicContact CB-CG2 3.91Å; F136-T146 HydrophobicContact CD1-CG2 3.71Å; F136-T146 HydrophobicContact CE1-CG2 4.42Å; F136-T146 HydrophobicContact CG-CG2 3.85Å; F136-V147 WeakPolarHBondContact CZ-O 3.4Å; F136-L148 HydrophobicContact CE2-CB 3.94Å; F136-L148 HydrophobicContact CE2-CD1 3.87Å; F136-L148 HydrophobicContact CE2-CG 4.46Å; F136-L148 HydrophobicContact CZ-CB 4.25Å; F136-L148 HydrophobicContact CZ-CD1 4.23Å
137T98.6Very high98Very high64 Ų6467.9 Ų67.939%0.39335%0.345SS..Hα-helixtrans-63.2-50.2175.2-59.40000110.4K133 K134 A135 R140 Q141K133-T137 WeakPolarHBondContact O-CB 3.35Å; K133-T137 PolarHBondContact O-N 2.75Å; K133-T137 PolarHBondContact O-OG1 3.49Å; K134-T137 WeakPolarHBondContact O-CB 3.39Å; K134-T137 PolarHBondContact O-N 3.36Å; K134-T137 VanDerWaalsContact O-N 3.13Å; A135-T137 VanDerWaalsContact C-N 3.31Å; A135-T137 PolarHBondContact O-N 3.1Å; T137-R140 PolarHBondContact O-N 3.05Å; T137-Q141 VanDerWaalsContact O-CG 3.29Å; T137-Q141 WeakPolarHBondContact O-CG 3.35Å; T137-Q141 PolarHBondContact O-N 2.89Å
138L98.7Very high98.1Very high29 Ų2964.8 Ų64.815%0.15234%0.341CS..Hα-helixtrans-65.3-43.8179.7-65.5169.6000111.8L111 F116 K134 A135 R140 Q141 A142L111-L138 HydrophobicContact CB-CD1 3.98Å; L111-L138 VanDerWaalsContact O-CD1 3.29Å; L111-L138 WeakPolarHBondContact O-CD1 3.38Å; F116-L138 HydrophobicContact CB-CB 4.4Å; F116-L138 HydrophobicContact CD2-CB 3.52Å; F116-L138 HydrophobicContact CD2-CD1 3.88Å; F116-L138 HydrophobicContact CD2-CG 4.34Å; F116-L138 HydrophobicContact CE2-CB 3.93Å; F116-L138 HydrophobicContact CE2-CD1 3.59Å; F116-L138 HydrophobicContact CE2-CG 4.42Å; F116-L138 HydrophobicContact CG-CB 3.96Å; K134-L138 HydrophobicContact CG-CD1 4.12Å; K134-L138 WeakPolarHBondContact O-CG 3.36Å; K134-L138 PolarHBondContact O-N 2.6Å; A135-L138 PolarHBondContact O-N 3.16Å; L138-R140 PolarHBondContact O-N 2.71Å; L138-Q141 PolarHBondContact O-N 3.01Å; L138-A142 PolarHBondContact O-N 2.85Å
139A98.7Very high98Very high0 Ų069.6 Ų69.60%037%0.369CS..Hα-helixtrans-57.9-47.7174.800000111.8F116 V122 A135 Q141 A142 G143 V144 T146F116-A139 HydrophobicContact CD1-CB 4.12Å; V122-A139 HydrophobicContact CB-CB 4.14Å; V122-A139 HydrophobicContact CG2-CB 3.7Å; A135-A139 WeakPolarHBondContact O-CB 3.4Å; A135-A139 PolarHBondContact O-N 3.04Å; A139-Q141 VanDerWaalsContact C-N 3.35Å; A139-Q141 PolarHBondContact O-N 3.04Å; A139-A142 CarbonylContact O-C 3.6Å; A139-A142 WeakPolarHBondContact O-CA 3.34Å; A139-A142 PolarHBondContact O-N 3.23Å; A139-A142 VanDerWaalsContact O-N 3.11Å; A139-G143 PolarHBondContact O-N 2.82Å; A139-G143 VanDerWaalsContact O-N 3.1Å; A139-V144 HydrophobicContact CB-CB 4.08Å; A139-V144 HydrophobicContact CB-CG1 4.33Å; A139-V144 WeakPolarHBondContact O-CB 3.39Å; A139-V144 PolarHBondContact O-N 2.85Å; A139-T146 HydrophobicContact CB-CG2 3.89Å
140R98.5Very high98.1Very high175 Ų17566.4 Ų66.466%0.6636%0.356SS*.Hα-helixtrans-65.3-36.7178.1-76-179.3178-125.10.7112.9F136 T137 L138 A142 G143 T146F136-R140 VanDerWaalsContact O-CB 3.29Å; F136-R140 WeakPolarHBondContact O-CB 3.28Å; F136-R140 VanDerWaalsContact O-CG 3.25Å; F136-R140 WeakPolarHBondContact O-CG 3.31Å; F136-R140 PolarHBondContact O-N 2.86Å; T137-R140 PolarHBondContact O-N 3.05Å; L138-R140 PolarHBondContact O-N 2.71Å; R140-A142 PolarHBondContact O-N 2.97Å; R140-G143 PolarHBondContact O-N 2.73Å; R140-G143 VanDerWaalsContact O-N 3.12Å; R140-T146 HydrophobicContact CG-CG2 3.8Å; R140-T146 PolarHBondContact NE-OG1 2.98Å; R140-T146 PolarHBondContact NH2-OG1 2.87Å; R140-T146 VanDerWaalsContact NH2-OG1 3.08Å
141Q98.4Very high98.1Very high147 Ų14765.3 Ų65.369%0.68735%0.35SS*.Hα-helixtrans-62.6-34.4173.5-74.4170.4-5.400111.8T137 L138 A139 G143T137-Q141 VanDerWaalsContact O-CG 3.29Å; T137-Q141 WeakPolarHBondContact O-CG 3.35Å; T137-Q141 PolarHBondContact O-N 2.89Å; L138-Q141 PolarHBondContact O-N 3.01Å; A139-Q141 VanDerWaalsContact C-N 3.35Å; A139-Q141 PolarHBondContact O-N 3.04Å; Q141-G143 VanDerWaalsContact C-N 3.31Å
142A98.3Very high98.2Very high46 Ų4668.8 Ų68.838%0.3837%0.368SS..THydrogen-bonded Turntrans-82-1.5174.600000114.2F116 L138 A139 R140 V144F116-A142 HydrophobicContact CB-CB 4.48Å; L138-A142 PolarHBondContact O-N 2.85Å; A139-A142 CarbonylContact O-C 3.6Å; A139-A142 WeakPolarHBondContact O-CA 3.34Å; A139-A142 PolarHBondContact O-N 3.23Å; A139-A142 VanDerWaalsContact O-N 3.11Å; R140-A142 PolarHBondContact O-N 2.97Å; A142-V144 VanDerWaalsContact C-N 3.34Å; A142-V144 HydrophobicContact CB-CG2 4.09Å
143G98.5Very high98.2Very high70 Ų7072.1 Ų72.172%0.72238%0.384SS*.THydrogen-bonded Turntrans78.214.8-177.500000114.9A139 R140 Q141A139-G143 PolarHBondContact O-N 2.82Å; A139-G143 VanDerWaalsContact O-N 3.1Å; R140-G143 PolarHBondContact O-N 2.73Å; R140-G143 VanDerWaalsContact O-N 3.12Å; Q141-G143 VanDerWaalsContact C-N 3.31Å
144V98.7Very high98.2Very high16 Ų1667.1 Ų67.110%0.09737%0.366CS..  trans-86.8141.5-177.4177.70000111.3F116 W119 V122 A139 A142F116-V144 WeakPolarHBondContact O-CG2 3.38Å; W119-V144 VanDerWaalsContact O-CG1 3.27Å; W119-V144 WeakPolarHBondContact O-CG1 3.06Å; W119-V144 WeakPolarHBondContact O-CG2 3.36Å; V122-V144 HydrophobicContact CG2-CG1 4.02Å; A139-V144 HydrophobicContact CB-CB 4.08Å; A139-V144 HydrophobicContact CB-CG1 4.33Å; A139-V144 WeakPolarHBondContact O-CB 3.39Å; A139-V144 PolarHBondContact O-N 2.85Å; A142-V144 VanDerWaalsContact C-N 3.34Å; A142-V144 HydrophobicContact CB-CG2 4.09Å
145M98.6Very high98.1Very high129 Ų12969.2 Ų69.264%0.63538%0.381SS*.EExtended strand (participates in β ladder)trans-65.3138.7178.7-175.8177.8-64.100111D120 V121 V122 V147D120-M145 PolarHBondContact O-N 3.22Å; V121-M145 CarbonylContact C-O 3.45Å; V121-M145 WeakPolarHBondContact CA-O 3.32Å; V121-M145 HydrophobicContact CB-CB 4.39Å; V121-M145 HydrophobicContact CG2-CB 4.22Å; V121-M145 HydrophobicContact CG2-CG 4.25Å; V121-M145 HydrophobicContact CG2-SD 4.49Å; V122-M145 PolarHBondContact N-O 3.42Å; M145-V147 HydrophobicContact CG-CG2 4.49Å
146T98.6Very high98.1Very high27 Ų2773.6 Ų73.617%0.16640%0.403CS..EExtended strand (participates in β ladder)trans-116.4130.2175.860.10000110.9V122 F136 A139 R140V122-T146 CarbonylContact O-C 3.56Å; V122-T146 WeakPolarHBondContact O-CA 3.4Å; F136-T146 HydrophobicContact CB-CG2 3.91Å; F136-T146 HydrophobicContact CD1-CG2 3.71Å; F136-T146 HydrophobicContact CE1-CG2 4.42Å; F136-T146 HydrophobicContact CG-CG2 3.85Å; A139-T146 HydrophobicContact CB-CG2 3.89Å; R140-T146 HydrophobicContact CG-CG2 3.8Å; R140-T146 PolarHBondContact NE-OG1 2.98Å; R140-T146 PolarHBondContact NH2-OG1 2.87Å; R140-T146 VanDerWaalsContact NH2-OG1 3.08Å
147V98.4Very high98.1Very high60 Ų6076.9 Ų76.936%0.36442%0.424SS..EExtended strand (participates in β ladder)trans-122121.1176.7-179.40000109.1V121 V122 L123 A124 F136 M145V121-V147 HydrophobicContact CG2-CG2 3.81Å; V122-V147 PolarHBondContact O-N 2.97Å; L123-V147 VanDerWaalsContact CA-O 3.28Å; L123-V147 WeakPolarHBondContact CA-O 3.35Å; L123-V147 HydrophobicContact CB-CB 4.48Å; L123-V147 HydrophobicContact CD1-CG1 4.24Å; A124-V147 PolarHBondContact N-O 2.78Å; A124-V147 VanDerWaalsContact N-O 3.09Å; F136-V147 WeakPolarHBondContact CZ-O 3.4Å; M145-V147 HydrophobicContact CG-CG2 4.49Å
148L97.3Very high98Very high108 Ų10878 Ų7857%0.56543%0.426SS*.EExtended strand (participates in β ladder)trans-96.2131.7174.2-174.867.5000109.4V126 F136V126-L148 HydrophobicContact CG1-CD1 4.31Å; F136-L148 HydrophobicContact CE2-CB 3.94Å; F136-L148 HydrophobicContact CE2-CD1 3.87Å; F136-L148 HydrophobicContact CE2-CG 4.46Å; F136-L148 HydrophobicContact CZ-CB 4.25Å; F136-L148 HydrophobicContact CZ-CD1 4.23Å
149D93.8Very high98Very high129 Ų12982.5 Ų82.569%0.6945%0.451SS*.  trans-94.60164.3-175.828.9000110.4P29 A124P29-D149 WeakPolarHBondContact CB-OD2 3.25Å; A124-D149 PolarHBondContact O-N 3.45Å

Retrieved 149 of 149 residues in 93.6 ms (Link to these results)

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