A0A077Z0U2_TRITR Loading...

DNA methyltransferase 1-associated protein 1

AlphaFold DB , UniProt , Accession A0A077Z0U2, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 292 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
1M77Confident84.4Confident132 Ų13280 Ų8065%0.6541%0.407SS*.  0131.30-72.8175.7114.800109H17 W18M1-H17 CarbonylContact C-O 3.47Å; M1-H17 WeakPolarHBondContact CA-O 3.48Å; M1-W18 HydrophobicContact CE-CZ2 4.31Å; M1-W18 HydrophobicContact CG-CD2 3.85Å; M1-W18 HydrophobicContact CG-CE3 3.94Å; M1-W18 HydrophobicContact CG-CH2 4.01Å; M1-W18 HydrophobicContact CG-CZ2 3.91Å; M1-W18 HydrophobicContact CG-CZ3 4.03Å; M1-W18 HydrophobicContact SD-CH2 4.42Å; M1-W18 HydrophobicContact SD-CZ2 4.06Å
2A81.6Confident84.4Confident6 Ų684 Ų845%0.0543%0.43CS..EExtended strand (participates in β ladder)trans-114.2148.2177.400000110.4R16 H17 V19 A24A2-R16 WeakPolarHBondContact O-CA 3.36Å; A2-H17 PolarHBondContact N-O 3.27Å; A2-H17 PolarHBondContact O-N 3.2Å; A2-V19 HydrophobicContact CB-CB 4.26Å; A2-V19 HydrophobicContact CB-CG2 4.05Å; A2-A24 HydrophobicContact CB-CB 4Å
3P84.5Confident84.6Confident79 Ų7983.8 Ų83.851%0.51343%0.43SS..EExtended strand (participates in β ladder)trans-66.8136.317428.9-32.9000110.7L15P3-L15 CarbonylContact C-O 3.53Å; P3-L15 WeakPolarHBondContact CA-O 3.47Å
4I85Confident84.8Confident23 Ų2386.3 Ų86.312%0.11844%0.444CS..EExtended strand (participates in β ladder)trans-88.9109.3168.3-61.6166.8000106.9N6 L15 H17 Y28I4-N6 HydrophobicContact CG2-CB 4.48Å; I4-L15 HydrophobicContact CB-CB 4.17Å; I4-L15 HydrophobicContact CD1-CB 3.97Å; I4-L15 HydrophobicContact CG1-CB 4.49Å; I4-L15 PolarHBondContact N-O 3.25Å; I4-H17 HydrophobicContact CD1-CB 3.82Å; I4-H17 HydrophobicContact CG1-CB 4.26Å; I4-H17 VanDerWaalsContact CG1-CE1 3.48Å; I4-H17 WeakPolarHBondContact CG1-CE1 3.41Å; I4-H17 WeakPolarHBondContact CG1-ND1 3.38Å; I4-Y28 HydrophobicContact CD1-CE2 4.5Å; I4-Y28 HydrophobicContact CG2-CD1 4.35Å; I4-Y28 HydrophobicContact CG2-CD2 3.65Å; I4-Y28 HydrophobicContact CG2-CE2 3.88Å; I4-Y28 HydrophobicContact CG2-CG 3.89Å
5H85.1Confident85Confident114 Ų11486.1 Ų86.153%0.52844%0.443SS..  trans-96.3111160.6-176.668.6000107.9P7 Y28H5-P7 VanDerWaalsContact O-CD 3.25Å; H5-P7 WeakPolarHBondContact O-CD 3.19Å; H5-Y28 WeakPolarHBondContact O-CB 3.49Å
6N85.5Confident85.2Confident33 Ų3391.9 Ų91.918%0.17646%0.458CS..  trans-97.4101.3175.3-176.8-5.3000109I4 A8 R9 Y28 A31I4-N6 HydrophobicContact CG2-CB 4.48Å; N6-A8 PolarHBondContact O-N 2.88Å; N6-A8 VanDerWaalsContact O-N 3.07Å; N6-A8 VanDerWaalsContact OD1-CB 3.29Å; N6-A8 WeakPolarHBondContact OD1-CB 3.39Å; N6-A8 PolarHBondContact OD1-N 3.23Å; N6-A8 VanDerWaalsContact OD1-N 3.07Å; N6-R9 HydrophobicContact CB-CG 4.16Å; N6-R9 PolarHBondContact O-N 3.07Å; N6-R9 VanDerWaalsContact O-N 3.07Å; N6-Y28 HydrophobicContact CB-CD1 4Å; N6-A31 WeakPolarHBondContact OD1-CB 3.46Å
7P87Confident85.3Confident61 Ų6190.6 Ų90.640%0.39645%0.45SS..THydrogen-bonded Turntrans-63.9-15.4-177.525.6-34.5000113.3H5 R9 E27 A31H5-P7 VanDerWaalsContact O-CD 3.25Å; H5-P7 WeakPolarHBondContact O-CD 3.19Å; P7-R9 VanDerWaalsContact C-N 3.28Å; P7-R9 PolarHBondContact O-N 3.41Å; P7-E27 HydrophobicContact CG-CG 4.22Å; P7-E27 WeakPolarHBondContact CG-OE1 3.47Å; P7-A31 HydrophobicContact CG-CB 3.7Å
8A85.2Confident85.5Confident33 Ų3397.2 Ų97.227%0.27347%0.469SS..THydrogen-bonded Turntrans-78.4-11.5177.500000113.6N6 A31 N34N6-A8 PolarHBondContact O-N 2.88Å; N6-A8 VanDerWaalsContact O-N 3.07Å; N6-A8 VanDerWaalsContact OD1-CB 3.29Å; N6-A8 WeakPolarHBondContact OD1-CB 3.39Å; N6-A8 PolarHBondContact OD1-N 3.23Å; N6-A8 VanDerWaalsContact OD1-N 3.07Å; A8-A31 HydrophobicContact CB-CB 4.22Å; A8-N34 HydrophobicContact CB-CB 3.49Å; A8-N34 VanDerWaalsContact CB-CB 3.49Å; A8-N34 WeakPolarHBondContact CB-ND2 3.39Å; A8-N34 PolarHBondContact O-ND2 2.91Å
9R84.8Confident85.5Confident94 Ų9494.4 Ų94.436%0.35546%0.458SS..  trans-94.7146.6178-69.3178.971.7139.35.5111.3N6 P7 D11N6-R9 HydrophobicContact CB-CG 4.16Å; N6-R9 PolarHBondContact O-N 3.07Å; N6-R9 VanDerWaalsContact O-N 3.07Å; P7-R9 VanDerWaalsContact C-N 3.28Å; P7-R9 PolarHBondContact O-N 3.41Å; R9-D11 WeakPolarHBondContact CB-OD1 3.47Å; R9-D11 IonicContact CZ-OD1 2.82Å; R9-D11 IonicContact CZ-OD2 2.82Å; R9-D11 IonicContact NE-OD1 2.86Å; R9-D11 PolarHBondContact NE-OD1 2.95Å; R9-D11 IonicContact NE-OD2 3Å; R9-D11 IonicContact NH2-OD1 3.33Å; R9-D11 PolarHBondContact NH2-OD1 3.38Å; R9-D11 IonicContact NH2-OD2 3.41Å; R9-D11 PolarHBondContact NH2-OD2 3.1Å
10K85.7Confident85.6Confident209 Ų20998.5 Ų98.591%0.90947%0.468SS*.SBendtrans-98.2-12.9177.2-63.6-179.7-178.6178.30114
11D86.9Confident85.5Confident96 Ų96103.5 Ų103.551%0.51349%0.488SS..SBendtrans-91.75.9-172.164.2-18.6000114R9 L13R9-D11 WeakPolarHBondContact CB-OD1 3.47Å; R9-D11 IonicContact CZ-OD1 2.82Å; R9-D11 IonicContact CZ-OD2 2.82Å; R9-D11 IonicContact NE-OD1 2.86Å; R9-D11 PolarHBondContact NE-OD1 2.95Å; R9-D11 IonicContact NE-OD2 3Å; R9-D11 IonicContact NH2-OD1 3.33Å; R9-D11 PolarHBondContact NH2-OD1 3.38Å; R9-D11 IonicContact NH2-OD2 3.41Å; R9-D11 PolarHBondContact NH2-OD2 3.1Å; D11-L13 PolarHBondContact O-N 3.27Å
12N84.1Confident85.9Confident128 Ų128104.6 Ų104.668%0.68449%0.492SS*.  trans50.726.5-179.7-65-31.3000114.2L14N12-L14 PolarHBondContact O-N 3.04Å; N12-L14 VanDerWaalsContact O-N 3.12Å
13L87.7Confident85.8Confident81 Ų81108 Ų10842%0.42451%0.509SS..  trans-65.3116.8-180-175.169.1000110.2D11 L15D11-L13 PolarHBondContact O-N 3.27Å; L13-L15 HydrophobicContact CD2-CD1 4.31Å; L13-L15 HydrophobicContact CD2-CD2 3.9Å; L13-L15 HydrophobicContact CD2-CG 4.07Å; L13-L15 HydrophobicContact CG-CD2 4.15Å; L13-L15 HydrophobicContact CG-CG 4.22Å
14L87.2Confident85.5Confident119 Ų119106 Ų10662%0.62350%0.499SS*.  trans-93.7108.5176.5-71.5167.4000110N12N12-L14 PolarHBondContact O-N 3.04Å; N12-L14 VanDerWaalsContact O-N 3.12Å
15L87.4Confident85.1Confident83 Ų83112.8 Ų112.844%0.43554%0.536SS..EExtended strand (participates in β ladder)trans-99172.5170.8-61.5177.7000110.2P3 I4 L13P3-L15 CarbonylContact C-O 3.53Å; P3-L15 WeakPolarHBondContact CA-O 3.47Å; I4-L15 HydrophobicContact CB-CB 4.17Å; I4-L15 HydrophobicContact CD1-CB 3.97Å; I4-L15 HydrophobicContact CG1-CB 4.49Å; I4-L15 PolarHBondContact N-O 3.25Å; L13-L15 HydrophobicContact CD2-CD1 4.31Å; L13-L15 HydrophobicContact CD2-CD2 3.9Å; L13-L15 HydrophobicContact CD2-CG 4.07Å; L13-L15 HydrophobicContact CG-CD2 4.15Å; L13-L15 HydrophobicContact CG-CG 4.22Å
16R89.1Confident84.9Confident179 Ų179110.8 Ų110.868%0.67554%0.535SS*.EExtended strand (participates in β ladder)trans-131.6144.2176.2-64.5179.6-178.9-108.61.2110A2A2-R16 WeakPolarHBondContact O-CA 3.36Å
17H86.4Confident84.6Confident71 Ų71115.9 Ų115.933%0.32956%0.558SS.*EExtended strand (participates in β ladder)trans-142.6166.4174.370.9-53000113.2M1 A2 I4 V19M1-H17 CarbonylContact C-O 3.47Å; M1-H17 WeakPolarHBondContact CA-O 3.48Å; A2-H17 PolarHBondContact N-O 3.27Å; A2-H17 PolarHBondContact O-N 3.2Å; I4-H17 HydrophobicContact CD1-CB 3.82Å; I4-H17 HydrophobicContact CG1-CB 4.26Å; I4-H17 VanDerWaalsContact CG1-CE1 3.48Å; I4-H17 WeakPolarHBondContact CG1-CE1 3.41Å; I4-H17 WeakPolarHBondContact CG1-ND1 3.38Å; H17-V19 WeakPolarHBondContact CD2-CG2 3.27Å; H17-V19 WeakPolarHBondContact CE1-CG2 3.32Å; H17-V19 WeakPolarHBondContact ND1-CG2 3.31Å; H17-V19 WeakPolarHBondContact NE2-CG2 3.23Å
18W88.7Confident84.6Confident209 Ų209116.1 Ų116.179%0.79255%0.551SS**  trans-80.3120.8174-62.398.4000109.3M1M1-W18 HydrophobicContact CE-CZ2 4.31Å; M1-W18 HydrophobicContact CG-CD2 3.85Å; M1-W18 HydrophobicContact CG-CE3 3.94Å; M1-W18 HydrophobicContact CG-CH2 4.01Å; M1-W18 HydrophobicContact CG-CZ2 3.91Å; M1-W18 HydrophobicContact CG-CZ3 4.03Å; M1-W18 HydrophobicContact SD-CH2 4.42Å; M1-W18 HydrophobicContact SD-CZ2 4.06Å
19V85.7Confident84.6Confident43 Ų43120 Ų12026%0.26157%0.566SS.*  trans-137.2150.8-177.6-169.20000107.8A2 H17 D23A2-V19 HydrophobicContact CB-CB 4.26Å; A2-V19 HydrophobicContact CB-CG2 4.05Å; H17-V19 WeakPolarHBondContact CD2-CG2 3.27Å; H17-V19 WeakPolarHBondContact CE1-CG2 3.32Å; H17-V19 WeakPolarHBondContact ND1-CG2 3.31Å; H17-V19 WeakPolarHBondContact NE2-CG2 3.23Å; V19-D23 HydrophobicContact CG1-CB 3.56Å
20R87.2Confident84.6Confident176 Ų176120.9 Ų120.966%0.66457%0.573SS**  trans-59.5147.9166.7-64.9-176.4175.7-155.60.6109.5E22 D23 A24R20-E22 PolarHBondContact O-N 2.96Å; R20-E22 VanDerWaalsContact O-N 3.1Å; R20-D23 PolarHBondContact O-N 2.88Å; R20-D23 VanDerWaalsContact O-N 3.13Å; R20-A24 PolarHBondContact O-N 3.26Å
21K83.6Confident84.6Confident204 Ų204111.4 Ų111.489%0.88753%0.534SS*.G310 helixtrans-58.1-28.4-179-168.3177.5178.5-1770112.3
22E84.8Confident84.6Confident155 Ų155117 Ų11772%0.72455%0.547SS*.G310 helixtrans-67.2-40-179.9-43.6172.8-123.100112.2R20R20-E22 PolarHBondContact O-N 2.96Å; R20-E22 VanDerWaalsContact O-N 3.1Å
23D81.2Confident84.7Confident78 Ų78116.3 Ų116.342%0.41754%0.543SS..G310 helixtrans-98.17.5-172.8-52.5-53.1000113.2V19 R20 N25 S26V19-D23 HydrophobicContact CG1-CB 3.56Å; R20-D23 PolarHBondContact O-N 2.88Å; R20-D23 VanDerWaalsContact O-N 3.13Å; D23-N25 PolarHBondContact O-N 2.94Å; D23-N25 VanDerWaalsContact O-N 3.11Å; D23-S26 WeakPolarHBondContact O-CB 3.39Å; D23-S26 PolarHBondContact O-N 3.4Å
24A76.7Confident84.6Confident37 Ų37116.4 Ų116.431%0.30654%0.544SS..THydrogen-bonded Turntrans-61.5-24.4-173.500000113.9A2 R20A2-A24 HydrophobicContact CB-CB 4Å; R20-A24 PolarHBondContact O-N 3.26Å
25N77.2Confident84.4Confident165 Ų165116.3 Ų116.388%0.88255%0.548SS*.THydrogen-bonded Turntrans-105.65.6178.2-74.518.2000113D23D23-N25 PolarHBondContact O-N 2.94Å; D23-N25 VanDerWaalsContact O-N 3.11Å
26S80.2Confident84.3Confident73 Ų73117.1 Ų117.151%0.5156%0.557SS.*SBendtrans-72.4142.3178.9-65.40000110.6D23 Y28D23-S26 WeakPolarHBondContact O-CB 3.39Å; D23-S26 PolarHBondContact O-N 3.4Å; S26-Y28 PolarHBondContact O-N 3.36Å
27E81Confident84.2Confident139 Ų139111 Ų11165%0.6554%0.539SS*.  trans-56.4140.1173.8-173.5179.5-172.400110.1P7 I29P7-E27 HydrophobicContact CG-CG 4.22Å; P7-E27 WeakPolarHBondContact CG-OE1 3.47Å; E27-I29 PolarHBondContact O-N 2.9Å
28Y85.5Confident84.3Confident67 Ų67113.1 Ų113.126%0.26356%0.559SS.*  trans-60.2107.8179.7-175.6-117.6000110.5I4 H5 N6 S26 F30 A31I4-Y28 HydrophobicContact CD1-CE2 4.5Å; I4-Y28 HydrophobicContact CG2-CD1 4.35Å; I4-Y28 HydrophobicContact CG2-CD2 3.65Å; I4-Y28 HydrophobicContact CG2-CE2 3.88Å; I4-Y28 HydrophobicContact CG2-CG 3.89Å; H5-Y28 WeakPolarHBondContact O-CB 3.49Å; N6-Y28 HydrophobicContact CB-CD1 4Å; S26-Y28 PolarHBondContact O-N 3.36Å; Y28-F30 HydrophobicContact CD1-CB 4.19Å; Y28-F30 HydrophobicContact CE1-CB 3.61Å; Y28-F30 HydrophobicContact CE1-CD2 4.19Å; Y28-F30 HydrophobicContact CE1-CG 4.41Å; Y28-F30 AromaticContact CE2-CD2 3.82Å; Y28-F30 HydrophobicContact CE2-CD2 3.82Å; Y28-F30 AromaticContact CZ-CD2 3.58Å; Y28-F30 PolarHBondContact O-N 3.08Å; Y28-F30 WeakPolarHBondContact OH-CD2 3.19Å; Y28-A31 HydrophobicContact CD1-CB 4.35Å; Y28-A31 WeakPolarHBondContact O-CB 3.49Å; Y28-A31 PolarHBondContact O-N 3.38Å
29I85.1Confident84.5Confident114 Ų114103.9 Ų103.959%0.58553%0.526SS*.THydrogen-bonded Turntrans-57.5-27.8-169.360.1174.6000113.8E27 R32E27-I29 PolarHBondContact O-N 2.9Å; I29-R32 WeakPolarHBondContact O-CG 3.4Å
30F84.7Confident84.9Confident112 Ų112102.8 Ų102.849%0.49152%0.52SS..THydrogen-bonded Turntrans-86.1-4.8-179.2-55.6-72.7000113.3Y28 R32 L33Y28-F30 HydrophobicContact CD1-CB 4.19Å; Y28-F30 HydrophobicContact CE1-CB 3.61Å; Y28-F30 HydrophobicContact CE1-CD2 4.19Å; Y28-F30 HydrophobicContact CE1-CG 4.41Å; Y28-F30 AromaticContact CE2-CD2 3.82Å; Y28-F30 HydrophobicContact CE2-CD2 3.82Å; Y28-F30 AromaticContact CZ-CD2 3.58Å; Y28-F30 PolarHBondContact O-N 3.08Å; Y28-F30 WeakPolarHBondContact OH-CD2 3.19Å; F30-R32 PolarHBondContact O-N 3.44Å; F30-L33 HydrophobicContact CD1-CD1 3.82Å; F30-L33 WeakPolarHBondContact O-CB 3.46Å; F30-L33 PolarHBondContact O-N 2.85Å
31A86.2Confident85.2Confident11 Ų11102.7 Ų102.79%0.09152%0.519CS..G310 helixtrans-59.3-36.2176.900000112.1N6 P7 A8 Y28 L33 N34N6-A31 WeakPolarHBondContact OD1-CB 3.46Å; P7-A31 HydrophobicContact CG-CB 3.7Å; A8-A31 HydrophobicContact CB-CB 4.22Å; Y28-A31 HydrophobicContact CD1-CB 4.35Å; Y28-A31 WeakPolarHBondContact O-CB 3.49Å; Y28-A31 PolarHBondContact O-N 3.38Å; A31-L33 PolarHBondContact O-N 3.43Å; A31-N34 WeakPolarHBondContact O-CB 3.22Å; A31-N34 PolarHBondContact O-N 3.37Å; A31-N34 VanDerWaalsContact O-N 3.16Å
32R86.6Confident85.9Confident213 Ų21394.8 Ų94.880%0.80448%0.484SS*.G310 helixtrans-63.5-18.3175.172.7178.159.5-165.6-4.8114.3I29 F30 N34I29-R32 WeakPolarHBondContact O-CG 3.4Å; F30-R32 PolarHBondContact O-N 3.44Å; R32-N34 VanDerWaalsContact C-N 3.34Å
33L86.5Confident86.4Confident113 Ų11389.8 Ų89.859%0.59247%0.466SS*.G310 helixtrans-90.80.3-179.5-56.2-176.7000112.3F30 A31 T35F30-L33 HydrophobicContact CD1-CD1 3.82Å; F30-L33 WeakPolarHBondContact O-CB 3.46Å; F30-L33 PolarHBondContact O-N 2.85Å; A31-L33 PolarHBondContact O-N 3.43Å; L33-T35 PolarHBondContact O-N 2.9Å
34N85.2Confident87.1Confident84 Ų8488.8 Ų88.845%0.44947%0.469SS..  trans-70.3104.4176.5-169.334.6000110.1A8 A31 R32A8-N34 HydrophobicContact CB-CB 3.49Å; A8-N34 VanDerWaalsContact CB-CB 3.49Å; A8-N34 WeakPolarHBondContact CB-ND2 3.39Å; A8-N34 PolarHBondContact O-ND2 2.91Å; A31-N34 WeakPolarHBondContact O-CB 3.22Å; A31-N34 PolarHBondContact O-N 3.37Å; A31-N34 VanDerWaalsContact O-N 3.16Å; R32-N34 VanDerWaalsContact C-N 3.34Å
35T84.3Confident88Confident116 Ų11694.7 Ų94.771%0.71249%0.49SS*.PPolyproline II helixtrans-103118.6177.250.10000109.6L33L33-T35 PolarHBondContact O-N 2.9Å
36V83.9Confident88.9Confident100 Ų10088.8 Ų88.861%0.60646%0.457SS*.PPolyproline II helixtrans-99.8126.8175.1179.80000108.7P38V36-P38 WeakPolarHBondContact O-CD 3.46Å
37T87.2Confident89.8Confident51 Ų5185.8 Ų85.831%0.31344%0.435SS..PPolyproline II helixtrans-79122.4-179.5-56.70000110.1V39 L73T37-V39 PolarHBondContact O-N 3Å; T37-L73 HydrophobicContact CG2-CD1 3.46Å; T37-L73 VanDerWaalsContact CG2-CD1 3.46Å; T37-L73 HydrophobicContact CG2-CG 3.81Å
38P89.3Confident90.5Very high115 Ų11584.4 Ų84.475%0.74743%0.432SS*.  trans-71.9113.2-179.828.5-33.4000110.6V36V36-P38 WeakPolarHBondContact O-CD 3.46Å
39V93Very high91Very high16 Ų1688.3 Ų88.310%0.09745%0.45CS..PPolyproline II helixtrans-94128.7173.9172.70000109.9T37 R41 M65 A68 Q69 L73 Y99T37-V39 PolarHBondContact O-N 3Å; V39-R41 PolarHBondContact O-N 2.99Å; V39-M65 HydrophobicContact CG1-CE 3.52Å; V39-A68 HydrophobicContact CG2-CB 4.41Å; V39-Q69 HydrophobicContact CB-CB 4.15Å; V39-Q69 HydrophobicContact CG1-CB 4.43Å; V39-Q69 HydrophobicContact CG2-CB 4.11Å; V39-L73 HydrophobicContact CG2-CD2 3.88Å; V39-Y99 HydrophobicContact CG1-CE2 3.98Å; V39-Y99 HydrophobicContact CG2-CE2 4.39Å
40P92.9Very high91.4Very high20 Ų2086.7 Ų86.713%0.1344%0.437CS..PPolyproline II helixtrans-58.8133.1176.8-22.731.8000111.8M65 H103 L106P40-M65 HydrophobicContact CB-CE 4.25Å; P40-M65 WeakPolarHBondContact O-CE 3.42Å; P40-H103 HydrophobicContact CG-CB 4.29Å; P40-L106 HydrophobicContact CB-CD1 3.83Å
41R95.1Very high92Very high173 Ų17381.3 Ų81.365%0.65341%0.414SS*.PPolyproline II helixtrans-101.3148167.9-65.1-178172.4-179.8-5.3109.3V39 R110V39-R41 PolarHBondContact O-N 2.99Å; R41-R110 PolarHBondContact O-NH1 2.96Å; R41-R110 VanDerWaalsContact O-NH1 3.14Å; R41-R110 PolarHBondContact O-NH2 2.95Å
42Y96.4Very high92.5Very high38 Ų3884.9 Ų84.915%0.14943%0.434CS..  trans-132.5154176.353.6-104.2000111.5E46 Y47 L51 T61 D62 M65 V102 L106Y42-E46 WeakPolarHBondContact CA-OE2 3.36Å; Y42-Y47 HydrophobicContact CD2-CD2 4.39Å; Y42-Y47 AromaticContact CE2-CD2 3.78Å; Y42-Y47 HydrophobicContact CE2-CD2 3.78Å; Y42-Y47 HydrophobicContact CE2-CG 4.42Å; Y42-L51 HydrophobicContact CD1-CD1 3.53Å; Y42-L51 HydrophobicContact CD2-CD1 4.02Å; Y42-L51 HydrophobicContact CE1-CD1 3.83Å; Y42-L51 HydrophobicContact CE2-CD1 4.35Å; Y42-L51 HydrophobicContact CG-CD1 3.62Å; Y42-T61 HydrophobicContact CE1-CG2 4.27Å; Y42-T61 VanDerWaalsContact OH-CG2 3.32Å; Y42-T61 WeakPolarHBondContact OH-CG2 3.44Å; Y42-D62 WeakPolarHBondContact CE2-OD1 3.3Å; Y42-D62 PolarHBondContact OH-N 3.27Å; Y42-D62 PolarHBondContact OH-OD1 3.29Å; Y42-M65 HydrophobicContact CE1-CG 3.72Å; Y42-V102 HydrophobicContact CD1-CG1 3.99Å; Y42-V102 HydrophobicContact CE1-CG1 3.96Å; Y42-L106 HydrophobicContact CD1-CD1 4Å; Y42-L106 HydrophobicContact CG-CD1 4.47Å
43S96.5Very high92.7Very high50 Ų5076.8 Ų76.835%0.3541%0.41SS..  trans-83.6165.7170.773.40000111.5E45 E46 Y47S43-E45 VanDerWaalsContact C-N 3.25Å; S43-E45 PolarHBondContact O-N 3.14Å; S43-E45 PolarHBondContact OG-N 3.41Å; S43-E46 PolarHBondContact N-OE2 3.38Å; S43-E46 PolarHBondContact O-N 3.24Å; S43-E46 WeakPolarHBondContact OG-CG 3.35Å; S43-E46 PolarHBondContact OG-N 3.19Å; S43-E46 VanDerWaalsContact OG-N 3.13Å; S43-Y47 PolarHBondContact O-N 3.05Å
44A95.7Very high93Very high57 Ų5779 Ų7947%0.47142%0.422SS..Hα-helixtrans-58.3-40172.700000111.7E46 Y47 D48A44-E46 PolarHBondContact O-N 3.35Å; A44-Y47 WeakPolarHBondContact O-CB 3.23Å; A44-Y47 PolarHBondContact O-N 3.25Å; A44-D48 PolarHBondContact O-N 3Å
45E96.3Very high93.3Very high161 Ų16178 Ų7875%0.75243%0.431SS*.Hα-helixtrans-63.3-41.2176.9-59.6175.7-176.600112.5S43 Y47 K49S43-E45 VanDerWaalsContact C-N 3.25Å; S43-E45 PolarHBondContact O-N 3.14Å; S43-E45 PolarHBondContact OG-N 3.41Å; E45-Y47 VanDerWaalsContact C-N 3.29Å; E45-Y47 PolarHBondContact O-N 3.48Å; E45-K49 VanDerWaalsContact O-CB 3.22Å; E45-K49 WeakPolarHBondContact O-CB 3.33Å; E45-K49 PolarHBondContact O-N 3.5Å
46E96.6Very high93.8Very high41 Ų4174 Ų7419%0.19240%0.404CS..Hα-helixtrans-65.7-35.6175.4-74.7177.4130.500111.4Y42 S43 A44 Y50 L106 R110Y42-E46 WeakPolarHBondContact CA-OE2 3.36Å; S43-E46 PolarHBondContact N-OE2 3.38Å; S43-E46 PolarHBondContact O-N 3.24Å; S43-E46 WeakPolarHBondContact OG-CG 3.35Å; S43-E46 PolarHBondContact OG-N 3.19Å; S43-E46 VanDerWaalsContact OG-N 3.13Å; A44-E46 PolarHBondContact O-N 3.35Å; E46-Y50 HydrophobicContact CB-CD2 4.38Å; E46-Y50 WeakPolarHBondContact O-CB 3.37Å; E46-Y50 WeakPolarHBondContact O-CD2 3.49Å; E46-Y50 PolarHBondContact O-N 3.38Å; E46-L106 HydrophobicContact CB-CD2 4.3Å; E46-R110 IonicContact OE1-CZ 3.45Å; E46-R110 IonicContact OE1-NE 3.71Å; E46-R110 PolarHBondContact OE1-NE 3.18Å; E46-R110 IonicContact OE1-NH2 2.84Å; E46-R110 PolarHBondContact OE1-NH2 2.67Å; E46-R110 IonicContact OE2-CZ 3.87Å; E46-R110 IonicContact OE2-NH2 2.76Å; E46-R110 PolarHBondContact OE2-NH2 3.43Å
47Y97.3Very high94.3Very high11 Ų1173 Ų734%0.04340%0.398CS..Iπ-helixtrans-61.8-54.2176.1-175.1-85.7000111.2Y42 S43 A44 E45 K49 Y50 L51 V52 W56 T57 K58 T61Y42-Y47 HydrophobicContact CD2-CD2 4.39Å; Y42-Y47 AromaticContact CE2-CD2 3.78Å; Y42-Y47 HydrophobicContact CE2-CD2 3.78Å; Y42-Y47 HydrophobicContact CE2-CG 4.42Å; S43-Y47 PolarHBondContact O-N 3.05Å; A44-Y47 WeakPolarHBondContact O-CB 3.23Å; A44-Y47 PolarHBondContact O-N 3.25Å; E45-Y47 VanDerWaalsContact C-N 3.29Å; E45-Y47 PolarHBondContact O-N 3.48Å; Y47-K49 VanDerWaalsContact C-N 3.26Å; Y47-K49 PolarHBondContact O-N 3.3Å; Y47-Y50 PolarHBondContact O-N 3.23Å; Y47-L51 HydrophobicContact CD2-CB 3.72Å; Y47-L51 HydrophobicContact CD2-CD1 4Å; Y47-L51 HydrophobicContact CD2-CG 4.45Å; Y47-L51 HydrophobicContact CE2-CB 4Å; Y47-L51 HydrophobicContact CG-CB 4.2Å; Y47-L51 WeakPolarHBondContact O-CA 3.46Å; Y47-L51 PolarHBondContact O-N 2.98Å; Y47-V52 HydrophobicContact CE1-CG2 4.33Å; Y47-V52 PolarHBondContact O-N 2.91Å; Y47-W56 PolarHBondContact OH-O 3.44Å; Y47-T57 VanDerWaalsContact OH-C 3.22Å; Y47-T57 PolarHBondContact OH-O 3.37Å; Y47-K58 HydrophobicContact CD1-CB 3.97Å; Y47-K58 HydrophobicContact CD1-CD 4.05Å; Y47-K58 HydrophobicContact CD1-CG 3.87Å; Y47-K58 HydrophobicContact CD2-CG 4.04Å; Y47-K58 HydrophobicContact CE1-CB 3.56Å; Y47-K58 HydrophobicContact CE1-CD 4.49Å; Y47-K58 HydrophobicContact CE1-CG 3.96Å; Y47-K58 HydrophobicContact CE2-CB 4.14Å; Y47-K58 HydrophobicContact CE2-CG 4.12Å; Y47-K58 HydrophobicContact CG-CB 4.45Å; Y47-K58 HydrophobicContact CG-CD 4.24Å; Y47-K58 HydrophobicContact CG-CG 3.94Å; Y47-K58 WeakPolarHBondContact OH-CA 3.28Å; Y47-K58 PolarHBondContact OH-N 3.17Å; Y47-K58 VanDerWaalsContact OH-N 3.14Å; Y47-T61 HydrophobicContact CE2-CG2 4.16Å
48D96.4Very high94.7Very high110 Ų11074.3 Ų74.359%0.58840%0.399SS*.Iπ-helixtrans-63.6-34.7-176.9-66.9-22.3000111.9A44 V52A44-D48 PolarHBondContact O-N 3Å; D48-V52 WeakPolarHBondContact O-CG2 3.4Å
49K95.8Very high95Very high148 Ų14875.7 Ų75.764%0.64340%0.395SS*.Iπ-helixtrans-79.9-36.3-177.7-168.9173.5178.3-169.60113.9E45 Y47E45-K49 VanDerWaalsContact O-CB 3.22Å; E45-K49 WeakPolarHBondContact O-CB 3.33Å; E45-K49 PolarHBondContact O-N 3.5Å; Y47-K49 VanDerWaalsContact C-N 3.26Å; Y47-K49 PolarHBondContact O-N 3.3Å
50Y94.9Very high95.1Very high80 Ų8075 Ų7531%0.31439%0.392SS..Iπ-helixtrans-125.2-30.1-168-54.7-64000114.5E46 Y47 R105 A109E46-Y50 HydrophobicContact CB-CD2 4.38Å; E46-Y50 WeakPolarHBondContact O-CB 3.37Å; E46-Y50 WeakPolarHBondContact O-CD2 3.49Å; E46-Y50 PolarHBondContact O-N 3.38Å; Y47-Y50 PolarHBondContact O-N 3.23Å; Y50-R105 WeakPolarHBondContact O-CD 3.21Å; Y50-R105 PolarHBondContact O-NH1 2.85Å; Y50-A109 HydrophobicContact CD1-CB 4.21Å; Y50-A109 HydrophobicContact CD2-CB 3.88Å; Y50-A109 HydrophobicContact CE1-CB 4Å; Y50-A109 HydrophobicContact CE2-CB 3.68Å; Y50-A109 HydrophobicContact CG-CB 4.14Å
51L96.5Very high95.3Very high0 Ų074.1 Ų74.10%039%0.386CS..Iπ-helixtrans-103.4-6.7-164.4-53.4-177.1000114.3Y42 Y47 C53 R98 V102 R105 L106Y42-L51 HydrophobicContact CD1-CD1 3.53Å; Y42-L51 HydrophobicContact CD2-CD1 4.02Å; Y42-L51 HydrophobicContact CE1-CD1 3.83Å; Y42-L51 HydrophobicContact CE2-CD1 4.35Å; Y42-L51 HydrophobicContact CG-CD1 3.62Å; Y47-L51 HydrophobicContact CD2-CB 3.72Å; Y47-L51 HydrophobicContact CD2-CD1 4Å; Y47-L51 HydrophobicContact CD2-CG 4.45Å; Y47-L51 HydrophobicContact CE2-CB 4Å; Y47-L51 HydrophobicContact CG-CB 4.2Å; Y47-L51 WeakPolarHBondContact O-CA 3.46Å; Y47-L51 PolarHBondContact O-N 2.98Å; L51-C53 PolarHBondContact O-N 2.67Å; L51-R98 PolarHBondContact O-NH1 3.1Å; L51-R98 PolarHBondContact O-NH2 2.96Å; L51-V102 HydrophobicContact CD1-CG1 3.96Å; L51-V102 HydrophobicContact CD2-CB 4.4Å; L51-V102 HydrophobicContact CD2-CG1 4.19Å; L51-V102 HydrophobicContact CD2-CG2 4.31Å; L51-R105 HydrophobicContact CD2-CB 3.78Å; L51-L106 HydrophobicContact CD1-CD2 4.29Å; L51-L106 HydrophobicContact CD1-CG 4.48Å; L51-L106 HydrophobicContact CD2-CD2 4.4Å; L51-L106 HydrophobicContact CD2-CG 4.26Å
52V95.6Very high95.3Very high85 Ų8568.4 Ų68.452%0.51537%0.368SS..  trans-53.8129.9174.5-179.20000110.3Y47 D48 R105Y47-V52 HydrophobicContact CE1-CG2 4.33Å; Y47-V52 PolarHBondContact O-N 2.91Å; D48-V52 WeakPolarHBondContact O-CG2 3.4Å; V52-R105 PolarHBondContact O-NH1 3.28Å; V52-R105 VanDerWaalsContact O-NH1 3.14Å
53C92.1Very high95.3Very high43 Ų4368.2 Ų68.229%0.29137%0.37SS..BIsolated β-bridgetrans-153146.7-176.7-173.70000110.5L51 W56 R98L51-C53 PolarHBondContact O-N 2.67Å; C53-W56 PolarHBondContact O-N 3.32Å; C53-R98 VanDerWaalsContact CB-NH1 3.34Å
54N91.8Very high95.4Very high160 Ų16065.9 Ų65.986%0.85635%0.353SS*.THydrogen-bonded Turntrans-67.5134176.7-65-5.5000110W56N54-W56 VanDerWaalsContact C-N 3.33Å
55G91.1Very high95.4Very high62 Ų6263.9 Ų63.964%0.63933%0.334SS*.THydrogen-bonded Turntrans82.34.1178.900000115.6K90G55-K90 PolarHBondContact O-NZ 2.8Å
56W94.8Very high95.4Very high34 Ų3460.9 Ų60.913%0.12932%0.32CS..BIsolated β-bridgetrans-130.4119.2175.8-73.793.1000111Y47 C53 N54 L64 W82 K90 L95 R98Y47-W56 PolarHBondContact OH-O 3.44Å; C53-W56 PolarHBondContact O-N 3.32Å; N54-W56 VanDerWaalsContact C-N 3.33Å; W56-L64 HydrophobicContact CH2-CD2 4.02Å; W56-L64 HydrophobicContact CZ3-CB 4.49Å; W56-L64 HydrophobicContact CZ3-CD2 4.02Å; W56-W82 HydrophobicContact CH2-CH2 4.36Å; W56-W82 HydrophobicContact CH2-CZ2 4.47Å; W56-W82 AromaticContact CZ3-CH2 3.87Å; W56-W82 HydrophobicContact CZ3-CH2 3.87Å; W56-W82 HydrophobicContact CZ3-CZ2 4.17Å; W56-K90 HydrophobicContact CH2-CD 4.43Å; W56-K90 HydrophobicContact CH2-CG 4.26Å; W56-K90 HydrophobicContact CZ2-CD 4.18Å; W56-K90 HydrophobicContact CZ2-CG 4.47Å; W56-L95 HydrophobicContact CH2-CD2 3.85Å; W56-R98 HydrophobicContact CD2-CB 4.09Å; W56-R98 HydrophobicContact CD2-CG 3.57Å; W56-R98 HydrophobicContact CE3-CB 4.42Å; W56-R98 HydrophobicContact CE3-CG 3.7Å; W56-R98 HydrophobicContact CG-CG 4.17Å; W56-R98 HydrophobicContact CH2-CB 3.73Å; W56-R98 HydrophobicContact CH2-CG 3.85Å; W56-R98 HydrophobicContact CZ2-CB 3.34Å; W56-R98 HydrophobicContact CZ2-CG 3.74Å; W56-R98 HydrophobicContact CZ3-CB 4.25Å; W56-R98 HydrophobicContact CZ3-CG 3.84Å
57T94.7Very high95.4Very high78 Ų7859.6 Ų59.648%0.47931%0.314SS..  trans-83.8161.8170.4650000110.5Y47 E59 S60 T61Y47-T57 VanDerWaalsContact OH-C 3.22Å; Y47-T57 PolarHBondContact OH-O 3.37Å; T57-E59 VanDerWaalsContact C-N 3.3Å; T57-E59 PolarHBondContact O-N 3.47Å; T57-S60 PolarHBondContact N-OG 2.97Å; T57-S60 PolarHBondContact O-N 3.43Å; T57-S60 PolarHBondContact O-OG 3.41Å; T57-S60 WeakPolarHBondContact OG1-CB 3.3Å; T57-S60 PolarHBondContact OG1-N 2.86Å; T57-S60 VanDerWaalsContact OG1-N 3.08Å; T57-S60 PolarHBondContact OG1-OG 3.45Å; T57-S60 VanDerWaalsContact OG1-OG 3.12Å; T57-T61 PolarHBondContact O-N 3.29Å; T57-T61 PolarHBondContact O-OG1 3.11Å
58K95.3Very high95.3Very high79 Ų7959 Ų5934%0.34331%0.312SS..Hα-helixtrans-58.4-45.7173.8-175.7-179.9169.3-64.20111.1Y47 S60 T61 D62Y47-K58 HydrophobicContact CD1-CB 3.97Å; Y47-K58 HydrophobicContact CD1-CD 4.05Å; Y47-K58 HydrophobicContact CD1-CG 3.87Å; Y47-K58 HydrophobicContact CD2-CG 4.04Å; Y47-K58 HydrophobicContact CE1-CB 3.56Å; Y47-K58 HydrophobicContact CE1-CD 4.49Å; Y47-K58 HydrophobicContact CE1-CG 3.96Å; Y47-K58 HydrophobicContact CE2-CB 4.14Å; Y47-K58 HydrophobicContact CE2-CG 4.12Å; Y47-K58 HydrophobicContact CG-CB 4.45Å; Y47-K58 HydrophobicContact CG-CD 4.24Å; Y47-K58 HydrophobicContact CG-CG 3.94Å; Y47-K58 WeakPolarHBondContact OH-CA 3.28Å; Y47-K58 PolarHBondContact OH-N 3.17Å; Y47-K58 VanDerWaalsContact OH-N 3.14Å; K58-S60 PolarHBondContact O-N 3.28Å; K58-T61 PolarHBondContact O-N 3.07Å; K58-T61 VanDerWaalsContact O-N 3.13Å; K58-D62 IonicContact NZ-OD2 2.93Å; K58-D62 PolarHBondContact NZ-OD2 2.95Å; K58-D62 WeakPolarHBondContact O-CB 3.46Å; K58-D62 PolarHBondContact O-N 2.85Å
59E95.5Very high95.2Very high143 Ų14357.5 Ų57.567%0.66830%0.302SS*.Hα-helixtrans-59.1-46.3178.3-64.4173.2175.200111.9T57 T61 D62 N63T57-E59 VanDerWaalsContact C-N 3.3Å; T57-E59 PolarHBondContact O-N 3.47Å; E59-T61 VanDerWaalsContact C-N 3.31Å; E59-T61 PolarHBondContact O-N 3.16Å; E59-D62 PolarHBondContact O-N 2.89Å; E59-N63 WeakPolarHBondContact O-CB 3.42Å; E59-N63 PolarHBondContact O-N 2.87Å
60S95.7Very high95.1Very high3 Ų357.4 Ų57.42%0.02130%0.297CS..Hα-helixtrans-61.9-38.5175.2660000112.6T57 K58 L64 W82 H87T57-S60 PolarHBondContact N-OG 2.97Å; T57-S60 PolarHBondContact O-N 3.43Å; T57-S60 PolarHBondContact O-OG 3.41Å; T57-S60 WeakPolarHBondContact OG1-CB 3.3Å; T57-S60 PolarHBondContact OG1-N 2.86Å; T57-S60 VanDerWaalsContact OG1-N 3.08Å; T57-S60 PolarHBondContact OG1-OG 3.45Å; T57-S60 VanDerWaalsContact OG1-OG 3.12Å; K58-S60 PolarHBondContact O-N 3.28Å; S60-L64 WeakPolarHBondContact O-CB 3.37Å; S60-L64 PolarHBondContact O-N 3.43Å; S60-W82 WeakPolarHBondContact O-CH2 3.25Å; S60-H87 WeakPolarHBondContact CA-CD2 3.44Å; S60-H87 VanDerWaalsContact CB-CD2 3.45Å; S60-H87 WeakPolarHBondContact CB-CD2 3.47Å; S60-H87 PolarHBondContact N-CD2 3.45Å
61T96.7Very high95Very high0 Ų056.2 Ų56.20%029%0.293CS..Hα-helixtrans-70.8-40.9178.6-49.30000110.6Y42 Y47 T57 K58 E59 L64 M65 R98 V102Y42-T61 HydrophobicContact CE1-CG2 4.27Å; Y42-T61 VanDerWaalsContact OH-CG2 3.32Å; Y42-T61 WeakPolarHBondContact OH-CG2 3.44Å; Y47-T61 HydrophobicContact CE2-CG2 4.16Å; T57-T61 PolarHBondContact O-N 3.29Å; T57-T61 PolarHBondContact O-OG1 3.11Å; K58-T61 PolarHBondContact O-N 3.07Å; K58-T61 VanDerWaalsContact O-N 3.13Å; E59-T61 VanDerWaalsContact C-N 3.31Å; E59-T61 PolarHBondContact O-N 3.16Å; T61-L64 WeakPolarHBondContact O-CB 3.37Å; T61-L64 PolarHBondContact O-N 3.44Å; T61-M65 VanDerWaalsContact O-CG 3.31Å; T61-M65 WeakPolarHBondContact O-CG 3.45Å; T61-M65 PolarHBondContact O-N 2.92Å; T61-R98 PolarHBondContact OG1-NE 2.97Å; T61-R98 PolarHBondContact OG1-NH2 3.33Å; T61-V102 HydrophobicContact CG2-CG2 3.82Å
62D96.7Very high94.9Very high53 Ų5359.3 Ų59.328%0.28331%0.309SS..Hα-helixtrans-61.4-45.6176.8-69.3-12.1000110.7Y42 K58 E59 M65 E66Y42-D62 WeakPolarHBondContact CE2-OD1 3.3Å; Y42-D62 PolarHBondContact OH-N 3.27Å; Y42-D62 PolarHBondContact OH-OD1 3.29Å; K58-D62 IonicContact NZ-OD2 2.93Å; K58-D62 PolarHBondContact NZ-OD2 2.95Å; K58-D62 WeakPolarHBondContact O-CB 3.46Å; K58-D62 PolarHBondContact O-N 2.85Å; E59-D62 PolarHBondContact O-N 2.89Å; D62-M65 PolarHBondContact O-N 3.01Å; D62-E66 WeakPolarHBondContact O-CB 3.45Å; D62-E66 PolarHBondContact O-N 3.44Å
63N96.1Very high94.8Very high35 Ų3556.6 Ų56.619%0.18729%0.292CS..Hα-helixtrans-59.7-46.8175.4-171.1-65.7000111.4E59 M65 E66 L67E59-N63 WeakPolarHBondContact O-CB 3.42Å; E59-N63 PolarHBondContact O-N 2.87Å; N63-M65 PolarHBondContact O-N 3.4Å; N63-E66 PolarHBondContact O-N 2.91Å; N63-L67 WeakPolarHBondContact O-CG 3.28Å; N63-L67 PolarHBondContact O-N 3.4Å; N63-L67 WeakPolarHBondContact OD1-CD1 3.43Å
64L97Very high94.9Very high0 Ų062.1 Ų62.10%031%0.307CS..Hα-helixtrans-55.4-50.2175.1172.762.7000111.4W56 S60 T61 E66 L67 A68 W75 V78 W82 L95 R98W56-L64 HydrophobicContact CH2-CD2 4.02Å; W56-L64 HydrophobicContact CZ3-CB 4.49Å; W56-L64 HydrophobicContact CZ3-CD2 4.02Å; S60-L64 WeakPolarHBondContact O-CB 3.37Å; S60-L64 PolarHBondContact O-N 3.43Å; T61-L64 WeakPolarHBondContact O-CB 3.37Å; T61-L64 PolarHBondContact O-N 3.44Å; L64-E66 VanDerWaalsContact C-N 3.3Å; L64-E66 PolarHBondContact O-N 3.24Å; L64-L67 PolarHBondContact O-N 3.32Å; L64-A68 VanDerWaalsContact O-CB 3.28Å; L64-A68 WeakPolarHBondContact O-CB 3.15Å; L64-A68 PolarHBondContact O-N 2.88Å; L64-W75 HydrophobicContact CD1-CZ3 4.27Å; L64-V78 HydrophobicContact CD1-CG1 4.2Å; L64-W82 HydrophobicContact CB-CH2 4.13Å; L64-W82 HydrophobicContact CB-CZ3 3.8Å; L64-W82 HydrophobicContact CD1-CZ3 4.4Å; L64-L95 HydrophobicContact CD1-CB 4.08Å; L64-L95 HydrophobicContact CD1-CD2 4.28Å; L64-R98 HydrophobicContact CD2-CB 3.79Å; L64-R98 HydrophobicContact CD2-CG 3.61Å
65M96.7Very high95Very high15 Ų1555.7 Ų55.77%0.07427%0.27CS..Hα-helixtrans-64.5-36.5-179.2-63.4-53.7-78.200112.2V39 P40 Y42 T61 D62 N63 Q69 Y99 V102V39-M65 HydrophobicContact CG1-CE 3.52Å; P40-M65 HydrophobicContact CB-CE 4.25Å; P40-M65 WeakPolarHBondContact O-CE 3.42Å; Y42-M65 HydrophobicContact CE1-CG 3.72Å; T61-M65 VanDerWaalsContact O-CG 3.31Å; T61-M65 WeakPolarHBondContact O-CG 3.45Å; T61-M65 PolarHBondContact O-N 2.92Å; D62-M65 PolarHBondContact O-N 3.01Å; N63-M65 PolarHBondContact O-N 3.4Å; M65-Q69 WeakPolarHBondContact O-CB 3.31Å; M65-Q69 PolarHBondContact O-N 2.96Å; M65-Y99 HydrophobicContact CE-CD2 4.19Å; M65-Y99 HydrophobicContact CE-CE2 3.97Å; M65-Y99 HydrophobicContact SD-CD2 3.68Å; M65-Y99 HydrophobicContact SD-CE2 4.04Å; M65-V102 HydrophobicContact CE-CG1 4.15Å; M65-V102 HydrophobicContact SD-CG1 4.22Å
66E95.9Very high95.2Very high99 Ų9958.2 Ų58.246%0.46327%0.268SS..Hα-helixtrans-65.6-48.4175.3-174.2178.8-177.900111.9D62 N63 L64 A68 Q69 R70D62-E66 WeakPolarHBondContact O-CB 3.45Å; D62-E66 PolarHBondContact O-N 3.44Å; N63-E66 PolarHBondContact O-N 2.91Å; L64-E66 VanDerWaalsContact C-N 3.3Å; L64-E66 PolarHBondContact O-N 3.24Å; E66-A68 VanDerWaalsContact C-N 3.31Å; E66-A68 PolarHBondContact O-N 3.29Å; E66-Q69 PolarHBondContact O-N 2.84Å; E66-R70 VanDerWaalsContact O-CB 3.31Å; E66-R70 WeakPolarHBondContact O-CB 3.49Å; E66-R70 PolarHBondContact O-N 3.03Å; E66-R70 IonicContact OE1-CZ 2.85Å; E66-R70 IonicContact OE1-NH2 2.83Å; E66-R70 PolarHBondContact OE1-NH2 3.22Å
67L96.4Very high95.2Very high13 Ų1358.8 Ų58.87%0.06827%0.273CS..Hα-helixtrans-61.3-41.7176.2-68.2175.3000111.1N63 L64 Q69 R70 Y71 V78 R81 W82N63-L67 WeakPolarHBondContact O-CG 3.28Å; N63-L67 PolarHBondContact O-N 3.4Å; N63-L67 WeakPolarHBondContact OD1-CD1 3.43Å; L64-L67 PolarHBondContact O-N 3.32Å; L67-Q69 VanDerWaalsContact C-N 3.3Å; L67-Q69 PolarHBondContact O-N 3.17Å; L67-R70 PolarHBondContact O-N 3.3Å; L67-Y71 HydrophobicContact CB-CD2 4.43Å; L67-Y71 HydrophobicContact CD2-CD2 4.31Å; L67-Y71 HydrophobicContact CD2-CE2 3.73Å; L67-Y71 WeakPolarHBondContact O-CD2 3.35Å; L67-Y71 PolarHBondContact O-N 3.47Å; L67-V78 HydrophobicContact CB-CG1 3.99Å; L67-V78 HydrophobicContact CD1-CG1 4.43Å; L67-R81 HydrophobicContact CD2-CB 4.31Å; L67-W82 HydrophobicContact CD1-CE3 3.77Å; L67-W82 HydrophobicContact CD1-CZ3 4.24Å
68A96Very high95.3Very high0 Ų055 Ų550%025%0.25CS..Hα-helixtrans-61.3-40.5177.200000111.3V39 L64 E66 D72 L73 Y99V39-A68 HydrophobicContact CG2-CB 4.41Å; L64-A68 VanDerWaalsContact O-CB 3.28Å; L64-A68 WeakPolarHBondContact O-CB 3.15Å; L64-A68 PolarHBondContact O-N 2.88Å; E66-A68 VanDerWaalsContact C-N 3.31Å; E66-A68 PolarHBondContact O-N 3.29Å; A68-D72 PolarHBondContact O-N 3.29Å; A68-L73 HydrophobicContact CB-CD2 3.46Å; A68-L73 VanDerWaalsContact CB-CD2 3.46Å; A68-L73 PolarHBondContact O-N 3.01Å; A68-Y99 HydrophobicContact CB-CD2 4.1Å; A68-Y99 HydrophobicContact CB-CE2 4Å
69Q94.3Very high95.3Very high78 Ų7854.6 Ų54.636%0.36425%0.249SC..Hα-helixtrans-70.5-41.4175.6173.9156.758.300112.2V39 M65 E66 L67V39-Q69 HydrophobicContact CB-CB 4.15Å; V39-Q69 HydrophobicContact CG1-CB 4.43Å; V39-Q69 HydrophobicContact CG2-CB 4.11Å; M65-Q69 WeakPolarHBondContact O-CB 3.31Å; M65-Q69 PolarHBondContact O-N 2.96Å; E66-Q69 PolarHBondContact O-N 2.84Å; L67-Q69 VanDerWaalsContact C-N 3.3Å; L67-Q69 PolarHBondContact O-N 3.17Å
70R93.2Very high95.3Very high145 Ų14553.3 Ų53.355%0.54725%0.247SC..Hα-helixtrans-69.4-33.6-176.7-170.5-178.7-64.8-177.9-1112.8E66 L67E66-R70 VanDerWaalsContact O-CB 3.31Å; E66-R70 WeakPolarHBondContact O-CB 3.49Å; E66-R70 PolarHBondContact O-N 3.03Å; E66-R70 IonicContact OE1-CZ 2.85Å; E66-R70 IonicContact OE1-NH2 2.83Å; E66-R70 PolarHBondContact OE1-NH2 3.22Å; L67-R70 PolarHBondContact O-N 3.3Å
71Y93.9Very high95.3Very high55 Ų5560.2 Ų60.222%0.21627%0.272CS..THydrogen-bonded Turntrans-11220.6-176.5-57.6-61.8000113.7L67 L73 R74 I77 V78 R81L67-Y71 HydrophobicContact CB-CD2 4.43Å; L67-Y71 HydrophobicContact CD2-CD2 4.31Å; L67-Y71 HydrophobicContact CD2-CE2 3.73Å; L67-Y71 WeakPolarHBondContact O-CD2 3.35Å; L67-Y71 PolarHBondContact O-N 3.47Å; Y71-L73 VanDerWaalsContact C-N 3.3Å; Y71-L73 PolarHBondContact O-N 2.91Å; Y71-R74 WeakPolarHBondContact O-CB 3.31Å; Y71-R74 WeakPolarHBondContact O-CG 3.37Å; Y71-R74 PolarHBondContact O-N 3.44Å; Y71-I77 HydrophobicContact CD1-CG2 3.66Å; Y71-I77 HydrophobicContact CD2-CG2 3.98Å; Y71-I77 HydrophobicContact CE1-CG2 3.94Å; Y71-I77 HydrophobicContact CE2-CG2 4.23Å; Y71-I77 HydrophobicContact CG-CB 4.44Å; Y71-I77 HydrophobicContact CG-CG2 3.68Å; Y71-V78 HydrophobicContact CD2-CG2 4.42Å; Y71-R81 HydrophobicContact CE2-CB 4Å; Y71-R81 HydrophobicContact CE2-CG 3.97Å
72D92.4Very high95.2Very high65 Ų6560.8 Ų60.835%0.34828%0.275SS..THydrogen-bonded Turntrans49.245.5175.5-65.3-57.9000113.9A68 R74A68-D72 PolarHBondContact O-N 3.29Å; D72-R74 PolarHBondContact O-N 2.9Å; D72-R74 VanDerWaalsContact O-N 3.14Å
73L94.4Very high95.1Very high29 Ų2959.9 Ų59.915%0.15227%0.272CS..THydrogen-bonded Turntrans56.923-177.2-51.9-172.3000115.2T37 V39 A68 Y71 W75 Y99T37-L73 HydrophobicContact CG2-CD1 3.46Å; T37-L73 VanDerWaalsContact CG2-CD1 3.46Å; T37-L73 HydrophobicContact CG2-CG 3.81Å; V39-L73 HydrophobicContact CG2-CD2 3.88Å; A68-L73 HydrophobicContact CB-CD2 3.46Å; A68-L73 VanDerWaalsContact CB-CD2 3.46Å; A68-L73 PolarHBondContact O-N 3.01Å; Y71-L73 VanDerWaalsContact C-N 3.3Å; Y71-L73 PolarHBondContact O-N 2.91Å; L73-W75 VanDerWaalsContact C-N 3.26Å; L73-W75 HydrophobicContact CB-CZ2 4.4Å; L73-W75 HydrophobicContact CD2-CH2 4.34Å; L73-W75 HydrophobicContact CD2-CZ2 4.21Å; L73-W75 VanDerWaalsContact O-CD1 3.24Å; L73-W75 PolarHBondContact O-N 2.55Å; L73-W75 PolarHBondContact O-NE1 3.4Å; L73-Y99 HydrophobicContact CD1-CE1 4.06Å; L73-Y99 HydrophobicContact CD2-CD2 4.42Å; L73-Y99 HydrophobicContact CD2-CE1 4.18Å; L73-Y99 HydrophobicContact CD2-CE2 3.71Å
74R93.9Very high94.7Very high159 Ų15961.1 Ų61.160%0.628%0.278SS*.  trans-73.283.3172.6-65.8175.569.4179.10.8109.7Y71 D72 I76 I77 V78Y71-R74 WeakPolarHBondContact O-CB 3.31Å; Y71-R74 WeakPolarHBondContact O-CG 3.37Å; Y71-R74 PolarHBondContact O-N 3.44Å; D72-R74 PolarHBondContact O-N 2.9Å; D72-R74 VanDerWaalsContact O-N 3.14Å; R74-I76 VanDerWaalsContact C-N 3.26Å; R74-I76 PolarHBondContact O-N 2.98Å; R74-I76 VanDerWaalsContact O-N 3.09Å; R74-I77 HydrophobicContact CB-CB 4.37Å; R74-I77 HydrophobicContact CB-CD1 4.05Å; R74-I77 HydrophobicContact CB-CG1 4.25Å; R74-I77 VanDerWaalsContact CZ-CD1 3.42Å; R74-I77 WeakPolarHBondContact O-CA 3.04Å; R74-I77 WeakPolarHBondContact O-CB 3.48Å; R74-I77 PolarHBondContact O-N 2.9Å; R74-V78 PolarHBondContact O-N 3.44Å
75W94.7Very high94.2Very high24 Ų2469.1 Ų69.19%0.09132%0.321CS..Hα-helixtrans-52.3-35.6-170.7-64.3112.8000115.7L64 L73 I77 V78 E79 L92 R96 Y99 Y100L64-W75 HydrophobicContact CD1-CZ3 4.27Å; L73-W75 VanDerWaalsContact C-N 3.26Å; L73-W75 HydrophobicContact CB-CZ2 4.4Å; L73-W75 HydrophobicContact CD2-CH2 4.34Å; L73-W75 HydrophobicContact CD2-CZ2 4.21Å; L73-W75 VanDerWaalsContact O-CD1 3.24Å; L73-W75 PolarHBondContact O-N 2.55Å; L73-W75 PolarHBondContact O-NE1 3.4Å; W75-I77 VanDerWaalsContact C-N 3.28Å; W75-I77 PolarHBondContact O-N 2.91Å; W75-V78 HydrophobicContact CE3-CB 4.36Å; W75-V78 HydrophobicContact CE3-CG1 4.37Å; W75-V78 HydrophobicContact CZ3-CG1 4.43Å; W75-V78 PolarHBondContact O-N 3.49Å; W75-E79 WeakPolarHBondContact O-CB 3.14Å; W75-E79 PolarHBondContact O-N 3.22Å; W75-L92 HydrophobicContact CB-CD1 4.15Å; W75-L92 HydrophobicContact CB-CG 4.25Å; W75-R96 HydrophobicContact CB-CG 4.5Å; W75-R96 HydrophobicContact CD2-CG 3.39Å; W75-R96 HydrophobicContact CE3-CG 3.69Å; W75-R96 HydrophobicContact CG-CG 3.75Å; W75-R96 HydrophobicContact CH2-CG 4.37Å; W75-R96 HydrophobicContact CZ2-CG 4.09Å; W75-R96 HydrophobicContact CZ3-CG 4.18Å; W75-Y99 VanDerWaalsContact CH2-CB 3.48Å; W75-Y99 AromaticContact CH2-CD1 3.76Å; W75-Y99 HydrophobicContact CH2-CD1 3.76Å; W75-Y99 AromaticContact CH2-CD2 3.96Å; W75-Y99 HydrophobicContact CH2-CD2 3.96Å; W75-Y99 AromaticContact CH2-CG 3.46Å; W75-Y99 HydrophobicContact CH2-CG 3.46Å; W75-Y99 VanDerWaalsContact CH2-CG 3.46Å; W75-Y99 AromaticContact CZ2-CD1 3.8Å; W75-Y99 HydrophobicContact CZ2-CD1 3.8Å; W75-Y99 HydrophobicContact CZ2-CE1 4.34Å; W75-Y99 HydrophobicContact CZ2-CG 4.01Å; W75-Y100 HydrophobicContact CZ2-CE2 4.41Å
76I94.1Very high93.8Very high116 Ų11675.5 Ų75.560%0.59535%0.351SS*.Hα-helixtrans-60.8-40.9175.9-51.6-53.6000111R74 D80 L92R74-I76 VanDerWaalsContact C-N 3.26Å; R74-I76 PolarHBondContact O-N 2.98Å; R74-I76 VanDerWaalsContact O-N 3.09Å; I76-D80 WeakPolarHBondContact O-CB 3.46Å; I76-D80 PolarHBondContact O-N 2.94Å; I76-L92 HydrophobicContact CD1-CD1 3.5Å; I76-L92 VanDerWaalsContact CD1-CD1 3.5Å
77I95.5Very high93.4Very high45 Ų4572.3 Ų72.323%0.23134%0.336CS..Hα-helixtrans-74.1-37.7178.2-57.4179.5000110.3Y71 R74 W75 E79 D80 R81Y71-I77 HydrophobicContact CD1-CG2 3.66Å; Y71-I77 HydrophobicContact CD2-CG2 3.98Å; Y71-I77 HydrophobicContact CE1-CG2 3.94Å; Y71-I77 HydrophobicContact CE2-CG2 4.23Å; Y71-I77 HydrophobicContact CG-CB 4.44Å; Y71-I77 HydrophobicContact CG-CG2 3.68Å; R74-I77 HydrophobicContact CB-CB 4.37Å; R74-I77 HydrophobicContact CB-CD1 4.05Å; R74-I77 HydrophobicContact CB-CG1 4.25Å; R74-I77 VanDerWaalsContact CZ-CD1 3.42Å; R74-I77 WeakPolarHBondContact O-CA 3.04Å; R74-I77 WeakPolarHBondContact O-CB 3.48Å; R74-I77 PolarHBondContact O-N 2.9Å; W75-I77 VanDerWaalsContact C-N 3.28Å; W75-I77 PolarHBondContact O-N 2.91Å; I77-E79 VanDerWaalsContact C-N 3.34Å; I77-D80 PolarHBondContact O-N 3.32Å; I77-R81 HydrophobicContact CG2-CG 4.2Å; I77-R81 WeakPolarHBondContact O-CB 3.31Å; I77-R81 VanDerWaalsContact O-CG 3.29Å; I77-R81 WeakPolarHBondContact O-CG 3.35Å; I77-R81 PolarHBondContact O-N 3.3Å
78V96.2Very high93.1Very high0 Ų073.5 Ų73.50%035%0.351CS..Hα-helixtrans-62.4-42.6177.3177.10000110.8L64 L67 Y71 R74 W75 R81 W82 L95L64-V78 HydrophobicContact CD1-CG1 4.2Å; L67-V78 HydrophobicContact CB-CG1 3.99Å; L67-V78 HydrophobicContact CD1-CG1 4.43Å; Y71-V78 HydrophobicContact CD2-CG2 4.42Å; R74-V78 PolarHBondContact O-N 3.44Å; W75-V78 HydrophobicContact CE3-CB 4.36Å; W75-V78 HydrophobicContact CE3-CG1 4.37Å; W75-V78 HydrophobicContact CZ3-CG1 4.43Å; W75-V78 PolarHBondContact O-N 3.49Å; V78-R81 PolarHBondContact O-N 3.17Å; V78-W82 PolarHBondContact O-N 2.84Å; V78-W82 VanDerWaalsContact O-N 3.16Å; V78-L95 HydrophobicContact CG1-CD1 4.27Å
79E95.4Very high92.9Very high69 Ų6977.4 Ų77.432%0.32238%0.384SS..Hα-helixtrans-64.7-47.5173.7-178.3-175.6-134.400111.6W75 I77 R81 W82 L92 L95W75-E79 WeakPolarHBondContact O-CB 3.14Å; W75-E79 PolarHBondContact O-N 3.22Å; I77-E79 VanDerWaalsContact C-N 3.34Å; E79-R81 PolarHBondContact O-N 3.47Å; E79-W82 VanDerWaalsContact O-CB 3.27Å; E79-W82 WeakPolarHBondContact O-CB 3.39Å; E79-W82 PolarHBondContact O-N 3.05Å; E79-W82 VanDerWaalsContact O-N 3.11Å; E79-L92 HydrophobicContact CB-CB 4.3Å; E79-L92 VanDerWaalsContact CD-CB 3.45Å; E79-L92 HydrophobicContact CG-CB 4.25Å; E79-L92 VanDerWaalsContact OE1-CB 3.25Å; E79-L92 WeakPolarHBondContact OE1-CB 3.04Å; E79-L92 PolarHBondContact OE1-N 3.43Å; E79-L95 HydrophobicContact CB-CD1 4.14Å
80D95.6Very high92.9Very high117 Ų11775.9 Ų75.963%0.62638%0.375SS*.Hα-helixtrans-57.3-34.1177.6176.176.1000113.2I76 I77I76-D80 WeakPolarHBondContact O-CB 3.46Å; I76-D80 PolarHBondContact O-N 2.94Å; I77-D80 PolarHBondContact O-N 3.32Å
81R95.6Very high92.9Very high147 Ų14770.5 Ų70.556%0.55536%0.36SS*.THydrogen-bonded Turntrans-97.27.7-178.4-59.9-61.5175.6132.11.9113.6L67 Y71 I77 V78 E79 P83L67-R81 HydrophobicContact CD2-CB 4.31Å; Y71-R81 HydrophobicContact CE2-CB 4Å; Y71-R81 HydrophobicContact CE2-CG 3.97Å; I77-R81 HydrophobicContact CG2-CG 4.2Å; I77-R81 WeakPolarHBondContact O-CB 3.31Å; I77-R81 VanDerWaalsContact O-CG 3.29Å; I77-R81 WeakPolarHBondContact O-CG 3.35Å; I77-R81 PolarHBondContact O-N 3.3Å; V78-R81 PolarHBondContact O-N 3.17Å; E79-R81 PolarHBondContact O-N 3.47Å; R81-P83 WeakPolarHBondContact O-CD 3.5Å
82W95.8Very high92.9Very high12 Ų1268.1 Ų68.15%0.04535%0.351CS..  trans-71.2125.6178-172.9-105000110.4W56 S60 L64 L67 V78 E79 D84 H87 G88 K90 L95W56-W82 HydrophobicContact CH2-CH2 4.36Å; W56-W82 HydrophobicContact CH2-CZ2 4.47Å; W56-W82 AromaticContact CZ3-CH2 3.87Å; W56-W82 HydrophobicContact CZ3-CH2 3.87Å; W56-W82 HydrophobicContact CZ3-CZ2 4.17Å; S60-W82 WeakPolarHBondContact O-CH2 3.25Å; L64-W82 HydrophobicContact CB-CH2 4.13Å; L64-W82 HydrophobicContact CB-CZ3 3.8Å; L64-W82 HydrophobicContact CD1-CZ3 4.4Å; L67-W82 HydrophobicContact CD1-CE3 3.77Å; L67-W82 HydrophobicContact CD1-CZ3 4.24Å; V78-W82 PolarHBondContact O-N 2.84Å; V78-W82 VanDerWaalsContact O-N 3.16Å; E79-W82 VanDerWaalsContact O-CB 3.27Å; E79-W82 WeakPolarHBondContact O-CB 3.39Å; E79-W82 PolarHBondContact O-N 3.05Å; E79-W82 VanDerWaalsContact O-N 3.11Å; W82-D84 VanDerWaalsContact C-N 3.33Å; W82-D84 PolarHBondContact O-N 3.07Å; W82-H87 HydrophobicContact CH2-CB 4.38Å; W82-H87 HydrophobicContact CZ2-CB 3.62Å; W82-G88 PolarHBondContact NE1-O 3.17Å; W82-K90 HydrophobicContact CZ2-CG 3.95Å; W82-L95 HydrophobicContact CD2-CD1 4.49Å; W82-L95 HydrophobicContact CD2-CD2 3.77Å; W82-L95 HydrophobicContact CE3-CD1 4.49Å; W82-L95 HydrophobicContact CE3-CD2 3.8Å; W82-L95 HydrophobicContact CG-CD2 4.38Å; W82-L95 HydrophobicContact CH2-CD2 4.13Å; W82-L95 HydrophobicContact CZ2-CD2 4.08Å; W82-L95 HydrophobicContact CZ3-CD2 4.01Å
83P93.3Very high93Very high34 Ų3465 Ų6522%0.22134%0.335CS..  trans-77.283176.931.4-35.7000110.7R81 D85 E86 H87R81-P83 WeakPolarHBondContact O-CD 3.5Å; P83-D85 PolarHBondContact O-N 2.99Å; P83-E86 HydrophobicContact CB-CB 4.45Å; P83-E86 PolarHBondContact O-N 2.68Å; P83-H87 VanDerWaalsContact CG-ND1 3.34Å; P83-H87 WeakPolarHBondContact CG-ND1 3.5Å; P83-H87 PolarHBondContact O-N 3.04Å
84D87.6Confident93Very high61 Ų6165.5 Ų65.533%0.32634%0.338SS..Hα-helixtrans-50.6-38.9-179.6-73.6-32.2000112.9W82 E86 G88W82-D84 VanDerWaalsContact C-N 3.33Å; W82-D84 PolarHBondContact O-N 3.07Å; D84-E86 PolarHBondContact O-N 3Å; D84-G88 CarbonylContact O-C 3.58Å; D84-G88 VanDerWaalsContact O-C 3.26Å; D84-G88 WeakPolarHBondContact O-CA 3.3Å; D84-G88 PolarHBondContact O-N 3.34Å
85D87Confident93.1Very high169 Ų16958 Ų5890%0.90431%0.309SS*.Hα-helixtrans-68.9-33.8-174.6-62-35.9000113.2P83P83-D85 PolarHBondContact O-N 2.99Å
86E89.4Confident93.2Very high148 Ų14858.9 Ų58.969%0.69231%0.312SS*.Hα-helixtrans-91.1-38-174.2-67.4176.2-175.700112.2P83 D84P83-E86 HydrophobicContact CB-CB 4.45Å; P83-E86 PolarHBondContact O-N 2.68Å; D84-E86 PolarHBondContact O-N 3Å
87H87.9Confident93.2Very high33 Ų3357.7 Ų57.715%0.15331%0.305CS..Hα-helixtrans-1164.8-170.1-57.494.9000113.4S60 W82 P83S60-H87 WeakPolarHBondContact CA-CD2 3.44Å; S60-H87 VanDerWaalsContact CB-CD2 3.45Å; S60-H87 WeakPolarHBondContact CB-CD2 3.47Å; S60-H87 PolarHBondContact N-CD2 3.45Å; W82-H87 HydrophobicContact CH2-CB 4.38Å; W82-H87 HydrophobicContact CZ2-CB 3.62Å; P83-H87 VanDerWaalsContact CG-ND1 3.34Å; P83-H87 WeakPolarHBondContact CG-ND1 3.5Å; P83-H87 PolarHBondContact O-N 3.04Å
88G89.9Confident93.3Very high37 Ų3755.8 Ų55.838%0.38129%0.294SS..  trans77.7152.5-174.500000112.4W82 D84 K90W82-G88 PolarHBondContact NE1-O 3.17Å; D84-G88 CarbonylContact O-C 3.58Å; D84-G88 VanDerWaalsContact O-C 3.26Å; D84-G88 WeakPolarHBondContact O-CA 3.3Å; D84-G88 PolarHBondContact O-N 3.34Å; G88-K90 PolarHBondContact O-N 2.83Å
89A91.9Very high93.3Very high83 Ų8356 Ų5669%0.68630%0.295SS*.  trans-62.4124.4175.700000110.8
90K93.1Very high93.3Very high45 Ų4553.4 Ų53.420%0.19628%0.283CS..  trans-124.1133.8177.3-61.9-60.7-176.4179.50109.1G55 W56 W82 G88 D94 L95G55-K90 PolarHBondContact O-NZ 2.8Å; W56-K90 HydrophobicContact CH2-CD 4.43Å; W56-K90 HydrophobicContact CH2-CG 4.26Å; W56-K90 HydrophobicContact CZ2-CD 4.18Å; W56-K90 HydrophobicContact CZ2-CG 4.47Å; W82-K90 HydrophobicContact CZ2-CG 3.95Å; G88-K90 PolarHBondContact O-N 2.83Å; K90-D94 HydrophobicContact CB-CB 4.46Å; K90-L95 HydrophobicContact CB-CD2 3.51Å; K90-L95 HydrophobicContact CB-CG 4.05Å; K90-L95 HydrophobicContact CG-CD2 4.02Å
91S92.6Very high93.3Very high33 Ų3350 Ų5023%0.23126%0.264CS..  trans-73.8156.8171.872.30000110.5D93 D94 L95S91-D93 PolarHBondContact O-N 3.41Å; S91-D93 VanDerWaalsContact O-N 3.1Å; S91-D94 WeakPolarHBondContact CB-OD2 3.33Å; S91-D94 PolarHBondContact N-OD2 3.13Å; S91-D94 WeakPolarHBondContact O-CB 3.47Å; S91-D94 PolarHBondContact O-N 2.88Å; S91-D94 PolarHBondContact OG-N 3.48Å; S91-D94 PolarHBondContact OG-OD1 3.23Å; S91-D94 PolarHBondContact OG-OD2 2.88Å; S91-L95 PolarHBondContact O-N 3.43Å; S91-L95 VanDerWaalsContact O-N 3.09Å
92L94.3Very high93.3Very high4 Ų443 Ų432%0.02124%0.238CC..Hα-helixtrans-49.9-35.9173.7172.5159000114.1W75 I76 E79 R96 R131W75-L92 HydrophobicContact CB-CD1 4.15Å; W75-L92 HydrophobicContact CB-CG 4.25Å; I76-L92 HydrophobicContact CD1-CD1 3.5Å; I76-L92 VanDerWaalsContact CD1-CD1 3.5Å; E79-L92 HydrophobicContact CB-CB 4.3Å; E79-L92 VanDerWaalsContact CD-CB 3.45Å; E79-L92 HydrophobicContact CG-CB 4.25Å; E79-L92 VanDerWaalsContact OE1-CB 3.25Å; E79-L92 WeakPolarHBondContact OE1-CB 3.04Å; E79-L92 PolarHBondContact OE1-N 3.43Å; L92-R96 HydrophobicContact CD2-CG 4.38Å; L92-R96 VanDerWaalsContact CD2-NH2 3.31Å; L92-R96 WeakPolarHBondContact O-CG 3.42Å; L92-R96 PolarHBondContact O-N 3.42Å; L92-R96 VanDerWaalsContact O-N 3.13Å; L92-R131 VanDerWaalsContact CD2-NH1 3.29Å
93D94.6Very high93.3Very high0 Ų043.5 Ų43.50%024%0.241CC..Hα-helixtrans-71.9-36.2178.6-57.7-44.3000111.7S91 L95 R96 E97 R128 R131S91-D93 PolarHBondContact O-N 3.41Å; S91-D93 VanDerWaalsContact O-N 3.1Å; D93-L95 VanDerWaalsContact C-N 3.34Å; D93-R96 PolarHBondContact O-N 3.47Å; D93-E97 VanDerWaalsContact O-CB 3.25Å; D93-E97 WeakPolarHBondContact O-CB 3.27Å; D93-E97 PolarHBondContact O-N 3.4Å; D93-R128 VanDerWaalsContact OD2-CA 3.3Å; D93-R128 WeakPolarHBondContact OD2-CA 3.4Å; D93-R128 WeakPolarHBondContact OD2-CB 3.36Å; D93-R131 IonicContact OD1-CZ 3.43Å; D93-R131 IonicContact OD1-NH1 2.84Å; D93-R131 PolarHBondContact OD1-NH1 3.05Å; D93-R131 IonicContact OD2-CZ 2.85Å; D93-R131 IonicContact OD2-NH1 2.89Å; D93-R131 PolarHBondContact OD2-NH1 3.09Å; D93-R131 IonicContact OD2-NH2 3.16Å; D93-R131 PolarHBondContact OD2-NH2 2.86Å
94D94.7Very high93.3Very high40 Ų4043.2 Ų43.221%0.21424%0.238CC..Hα-helixtrans-65.8-40.2178-51.5-36.2000110.4K90 S91 E97 R98 R128K90-D94 HydrophobicContact CB-CB 4.46Å; S91-D94 WeakPolarHBondContact CB-OD2 3.33Å; S91-D94 PolarHBondContact N-OD2 3.13Å; S91-D94 WeakPolarHBondContact O-CB 3.47Å; S91-D94 PolarHBondContact O-N 2.88Å; S91-D94 PolarHBondContact OG-N 3.48Å; S91-D94 PolarHBondContact OG-OD1 3.23Å; S91-D94 PolarHBondContact OG-OD2 2.88Å; D94-E97 PolarHBondContact O-N 3.2Å; D94-R98 WeakPolarHBondContact O-CB 3.37Å; D94-R98 PolarHBondContact O-N 3.22Å; D94-R128 IonicContact OD1-NH2 3.81Å; D94-R128 PolarHBondContact OD1-NH2 3.09Å
95L96Very high93.7Very high1 Ų143.9 Ų43.91%0.00524%0.235CC..Hα-helixtrans-61.5-45.5174.7-60.6-177.6000111.2W56 L64 V78 E79 W82 K90 S91 D93 Y99W56-L95 HydrophobicContact CH2-CD2 3.85Å; L64-L95 HydrophobicContact CD1-CB 4.08Å; L64-L95 HydrophobicContact CD1-CD2 4.28Å; V78-L95 HydrophobicContact CG1-CD1 4.27Å; E79-L95 HydrophobicContact CB-CD1 4.14Å; W82-L95 HydrophobicContact CD2-CD1 4.49Å; W82-L95 HydrophobicContact CD2-CD2 3.77Å; W82-L95 HydrophobicContact CE3-CD1 4.49Å; W82-L95 HydrophobicContact CE3-CD2 3.8Å; W82-L95 HydrophobicContact CG-CD2 4.38Å; W82-L95 HydrophobicContact CH2-CD2 4.13Å; W82-L95 HydrophobicContact CZ2-CD2 4.08Å; W82-L95 HydrophobicContact CZ3-CD2 4.01Å; K90-L95 HydrophobicContact CB-CD2 3.51Å; K90-L95 HydrophobicContact CB-CG 4.05Å; K90-L95 HydrophobicContact CG-CD2 4.02Å; S91-L95 PolarHBondContact O-N 3.43Å; S91-L95 VanDerWaalsContact O-N 3.09Å; D93-L95 VanDerWaalsContact C-N 3.34Å; L95-Y99 PolarHBondContact O-N 3.12Å; L95-Y99 VanDerWaalsContact O-N 3.08Å
96R96Very high94.1Very high42 Ų4236 Ų3616%0.15819%0.193CC..Hα-helixtrans-65.2-46.8177.2-75.3-177.5-171.1168.69.1112.1W75 L92 D93 R98 Y99 Y100 F122W75-R96 HydrophobicContact CB-CG 4.5Å; W75-R96 HydrophobicContact CD2-CG 3.39Å; W75-R96 HydrophobicContact CE3-CG 3.69Å; W75-R96 HydrophobicContact CG-CG 3.75Å; W75-R96 HydrophobicContact CH2-CG 4.37Å; W75-R96 HydrophobicContact CZ2-CG 4.09Å; W75-R96 HydrophobicContact CZ3-CG 4.18Å; L92-R96 HydrophobicContact CD2-CG 4.38Å; L92-R96 VanDerWaalsContact CD2-NH2 3.31Å; L92-R96 WeakPolarHBondContact O-CG 3.42Å; L92-R96 PolarHBondContact O-N 3.42Å; L92-R96 VanDerWaalsContact O-N 3.13Å; D93-R96 PolarHBondContact O-N 3.47Å; R96-R98 VanDerWaalsContact C-N 3.3Å; R96-R98 PolarHBondContact O-N 3.03Å; R96-Y99 PolarHBondContact O-N 3.47Å; R96-Y100 HydrophobicContact CB-CD2 4.34Å; R96-Y100 HydrophobicContact CB-CE2 4.23Å; R96-Y100 WeakPolarHBondContact O-CD2 3.36Å; R96-Y100 PolarHBondContact O-N 3.05Å; R96-F122 HydrophobicContact CB-CD1 4.32Å; R96-F122 HydrophobicContact CB-CE1 3.58Å; R96-F122 HydrophobicContact CB-CE2 3.97Å; R96-F122 HydrophobicContact CB-CZ 3.4Å; R96-F122 HydrophobicContact CG-CE2 4.46Å; R96-F122 HydrophobicContact CG-CZ 4.15Å
97E95.6Very high94.2Very high92 Ų9231.8 Ų31.843%0.4317%0.174SC..Hα-helixtrans-55.2-49.4178.9178.7173.2-159.800110.2D93 D94 Y99 Y100 D101 F122D93-E97 VanDerWaalsContact O-CB 3.25Å; D93-E97 WeakPolarHBondContact O-CB 3.27Å; D93-E97 PolarHBondContact O-N 3.4Å; D94-E97 PolarHBondContact O-N 3.2Å; E97-Y99 PolarHBondContact O-N 2.99Å; E97-Y100 PolarHBondContact O-N 2.89Å; E97-D101 VanDerWaalsContact O-CB 3.27Å; E97-D101 WeakPolarHBondContact O-CB 3.38Å; E97-D101 PolarHBondContact O-N 3.13Å; E97-F122 HydrophobicContact CB-CD1 4.35Å; E97-F122 HydrophobicContact CB-CE1 4.26Å
98R96.2Very high94.5Very high4 Ų436.3 Ų36.32%0.01519%0.193CC..Hα-helixtrans-61.1-45177.4-179.460.8173.8164.9-2.8112.5L51 C53 W56 T61 L64 D94 R96 D101 V102L51-R98 PolarHBondContact O-NH1 3.1Å; L51-R98 PolarHBondContact O-NH2 2.96Å; C53-R98 VanDerWaalsContact CB-NH1 3.34Å; W56-R98 HydrophobicContact CD2-CB 4.09Å; W56-R98 HydrophobicContact CD2-CG 3.57Å; W56-R98 HydrophobicContact CE3-CB 4.42Å; W56-R98 HydrophobicContact CE3-CG 3.7Å; W56-R98 HydrophobicContact CG-CG 4.17Å; W56-R98 HydrophobicContact CH2-CB 3.73Å; W56-R98 HydrophobicContact CH2-CG 3.85Å; W56-R98 HydrophobicContact CZ2-CB 3.34Å; W56-R98 HydrophobicContact CZ2-CG 3.74Å; W56-R98 HydrophobicContact CZ3-CB 4.25Å; W56-R98 HydrophobicContact CZ3-CG 3.84Å; T61-R98 PolarHBondContact OG1-NE 2.97Å; T61-R98 PolarHBondContact OG1-NH2 3.33Å; L64-R98 HydrophobicContact CD2-CB 3.79Å; L64-R98 HydrophobicContact CD2-CG 3.61Å; D94-R98 WeakPolarHBondContact O-CB 3.37Å; D94-R98 PolarHBondContact O-N 3.22Å; R96-R98 VanDerWaalsContact C-N 3.3Å; R96-R98 PolarHBondContact O-N 3.03Å; R98-D101 IonicContact NH1-OD2 3.5Å; R98-D101 PolarHBondContact O-N 3.49Å; R98-V102 WeakPolarHBondContact O-CG2 3.29Å; R98-V102 PolarHBondContact O-N 3.13Å
99Y97Very high94.6Very high6 Ų636.3 Ų36.32%0.02419%0.189CC..Hα-helixtrans-60.1-48.1179.1175.4-93000112.3V39 M65 A68 L73 W75 L95 R96 E97 V102 H103V39-Y99 HydrophobicContact CG1-CE2 3.98Å; V39-Y99 HydrophobicContact CG2-CE2 4.39Å; M65-Y99 HydrophobicContact CE-CD2 4.19Å; M65-Y99 HydrophobicContact CE-CE2 3.97Å; M65-Y99 HydrophobicContact SD-CD2 3.68Å; M65-Y99 HydrophobicContact SD-CE2 4.04Å; A68-Y99 HydrophobicContact CB-CD2 4.1Å; A68-Y99 HydrophobicContact CB-CE2 4Å; L73-Y99 HydrophobicContact CD1-CE1 4.06Å; L73-Y99 HydrophobicContact CD2-CD2 4.42Å; L73-Y99 HydrophobicContact CD2-CE1 4.18Å; L73-Y99 HydrophobicContact CD2-CE2 3.71Å; W75-Y99 VanDerWaalsContact CH2-CB 3.48Å; W75-Y99 AromaticContact CH2-CD1 3.76Å; W75-Y99 HydrophobicContact CH2-CD1 3.76Å; W75-Y99 AromaticContact CH2-CD2 3.96Å; W75-Y99 HydrophobicContact CH2-CD2 3.96Å; W75-Y99 AromaticContact CH2-CG 3.46Å; W75-Y99 HydrophobicContact CH2-CG 3.46Å; W75-Y99 VanDerWaalsContact CH2-CG 3.46Å; W75-Y99 AromaticContact CZ2-CD1 3.8Å; W75-Y99 HydrophobicContact CZ2-CD1 3.8Å; W75-Y99 HydrophobicContact CZ2-CE1 4.34Å; W75-Y99 HydrophobicContact CZ2-CG 4.01Å; L95-Y99 PolarHBondContact O-N 3.12Å; L95-Y99 VanDerWaalsContact O-N 3.08Å; R96-Y99 PolarHBondContact O-N 3.47Å; E97-Y99 PolarHBondContact O-N 2.99Å; Y99-V102 PolarHBondContact O-N 2.62Å; Y99-H103 WeakPolarHBondContact O-CB 3.38Å; Y99-H103 PolarHBondContact O-N 2.85Å
100Y95.7Very high94.6Very high13 Ų1338 Ų385%0.05118%0.178CC..Hα-helixtrans-70.8-32.7-179.9-68.7-60.6000112.3W75 R96 E97 H103 N104 I120 F122W75-Y100 HydrophobicContact CZ2-CE2 4.41Å; R96-Y100 HydrophobicContact CB-CD2 4.34Å; R96-Y100 HydrophobicContact CB-CE2 4.23Å; R96-Y100 WeakPolarHBondContact O-CD2 3.36Å; R96-Y100 PolarHBondContact O-N 3.05Å; E97-Y100 PolarHBondContact O-N 2.89Å; Y100-H103 PolarHBondContact O-N 2.83Å; Y100-N104 VanDerWaalsContact O-CB 3.24Å; Y100-N104 WeakPolarHBondContact O-CB 3.46Å; Y100-N104 PolarHBondContact O-N 2.93Å; Y100-N104 PolarHBondContact O-ND2 3.16Å; Y100-I120 HydrophobicContact CD1-CB 4.08Å; Y100-I120 HydrophobicContact CD1-CD1 4.37Å; Y100-I120 HydrophobicContact CD1-CG2 3.72Å; Y100-I120 HydrophobicContact CE1-CB 4.5Å; Y100-I120 HydrophobicContact CE1-CD1 4.31Å; Y100-I120 HydrophobicContact CE1-CG2 3.79Å; Y100-F122 HydrophobicContact CD2-CB 3.5Å; Y100-F122 VanDerWaalsContact CD2-CB 3.5Å; Y100-F122 AromaticContact CD2-CD1 3.99Å; Y100-F122 HydrophobicContact CD2-CD1 3.99Å; Y100-F122 AromaticContact CD2-CD2 3.71Å; Y100-F122 HydrophobicContact CD2-CD2 3.71Å; Y100-F122 HydrophobicContact CD2-CE2 4.46Å; Y100-F122 AromaticContact CD2-CG 3.45Å; Y100-F122 HydrophobicContact CD2-CG 3.45Å; Y100-F122 VanDerWaalsContact CD2-CG 3.45Å; Y100-F122 HydrophobicContact CE2-CB 4.21Å; Y100-F122 AromaticContact CE2-CD2 3.66Å; Y100-F122 HydrophobicContact CE2-CD2 3.66Å; Y100-F122 HydrophobicContact CE2-CE2 4.2Å; Y100-F122 AromaticContact CE2-CG 3.93Å; Y100-F122 HydrophobicContact CE2-CG 3.93Å; Y100-F122 HydrophobicContact CG-CB 3.92Å; Y100-F122 HydrophobicContact CG-CG 4.35Å
101D95.5Very high94.4Very high45 Ų4537.4 Ų37.424%0.24118%0.178CC..Hα-helixtrans-59.8-51.1170-178.446.5000110.7E97 R98 H103 N104 R105E97-D101 VanDerWaalsContact O-CB 3.27Å; E97-D101 WeakPolarHBondContact O-CB 3.38Å; E97-D101 PolarHBondContact O-N 3.13Å; R98-D101 IonicContact NH1-OD2 3.5Å; R98-D101 PolarHBondContact O-N 3.49Å; D101-H103 PolarHBondContact O-N 3.14Å; D101-N104 PolarHBondContact O-N 2.87Å; D101-R105 VanDerWaalsContact CG-NE 3.25Å; D101-R105 WeakPolarHBondContact O-CB 3.47Å; D101-R105 VanDerWaalsContact O-CG 3.26Å; D101-R105 WeakPolarHBondContact O-CG 3.3Å; D101-R105 PolarHBondContact O-N 3.42Å; D101-R105 IonicContact OD1-CZ 3.22Å; D101-R105 IonicContact OD1-NE 3.56Å; D101-R105 PolarHBondContact OD1-NE 3.23Å; D101-R105 IonicContact OD1-NH2 2.66Å; D101-R105 PolarHBondContact OD1-NH2 3.11Å; D101-R105 IonicContact OD2-CZ 2.98Å; D101-R105 IonicContact OD2-NE 3.59Å; D101-R105 PolarHBondContact OD2-NE 3.32Å; D101-R105 IonicContact OD2-NH2 3.53Å; D101-R105 PolarHBondContact OD2-NH2 2.87Å
102V96.2Very high93.9Very high0 Ų041.7 Ų41.70%019%0.194CC..Hα-helixtrans-57.4-49.7176169.70000111.3Y42 L51 T61 M65 R98 Y99 N104 R105 L106Y42-V102 HydrophobicContact CD1-CG1 3.99Å; Y42-V102 HydrophobicContact CE1-CG1 3.96Å; L51-V102 HydrophobicContact CD1-CG1 3.96Å; L51-V102 HydrophobicContact CD2-CB 4.4Å; L51-V102 HydrophobicContact CD2-CG1 4.19Å; L51-V102 HydrophobicContact CD2-CG2 4.31Å; T61-V102 HydrophobicContact CG2-CG2 3.82Å; M65-V102 HydrophobicContact CE-CG1 4.15Å; M65-V102 HydrophobicContact SD-CG1 4.22Å; R98-V102 WeakPolarHBondContact O-CG2 3.29Å; R98-V102 PolarHBondContact O-N 3.13Å; Y99-V102 PolarHBondContact O-N 2.62Å; V102-N104 VanDerWaalsContact C-N 3.34Å; V102-N104 PolarHBondContact O-N 3.32Å; V102-R105 PolarHBondContact O-N 3.31Å; V102-L106 HydrophobicContact CG1-CD1 3.83Å; V102-L106 HydrophobicContact CG1-CG 4.41Å; V102-L106 WeakPolarHBondContact O-CB 3.36Å; V102-L106 WeakPolarHBondContact O-CG 3.43Å; V102-L106 PolarHBondContact O-N 2.87Å
103H94.7Very high93.2Very high24 Ų2452 Ų5211%0.11124%0.239CC..Hα-helixtrans-54.1-51.5176.9175.2-82000111.2P40 Y99 Y100 D101 L106 Q107P40-H103 HydrophobicContact CG-CB 4.29Å; Y99-H103 WeakPolarHBondContact O-CB 3.38Å; Y99-H103 PolarHBondContact O-N 2.85Å; Y100-H103 PolarHBondContact O-N 2.83Å; D101-H103 PolarHBondContact O-N 3.14Å; H103-L106 PolarHBondContact O-N 3.12Å; H103-Q107 WeakPolarHBondContact O-CB 3.33Å; H103-Q107 VanDerWaalsContact O-CG 3.26Å; H103-Q107 WeakPolarHBondContact O-CG 3.25Å; H103-Q107 PolarHBondContact O-N 3.42Å
104N94.7Very high92.4Very high28 Ų2859.6 Ų59.615%0.1528%0.278CS..Hα-helixtrans-66.8-39.3-176.7-72.7-18.9000112.7Y100 D101 V102 Q107 K108 L119 I120Y100-N104 VanDerWaalsContact O-CB 3.24Å; Y100-N104 WeakPolarHBondContact O-CB 3.46Å; Y100-N104 PolarHBondContact O-N 2.93Å; Y100-N104 PolarHBondContact O-ND2 3.16Å; D101-N104 PolarHBondContact O-N 2.87Å; V102-N104 VanDerWaalsContact C-N 3.34Å; V102-N104 PolarHBondContact O-N 3.32Å; N104-Q107 PolarHBondContact O-N 2.79Å; N104-K108 VanDerWaalsContact O-CG 3.3Å; N104-K108 WeakPolarHBondContact O-CG 3.39Å; N104-K108 PolarHBondContact O-N 3.02Å; N104-L119 HydrophobicContact CB-CD2 4.03Å; N104-L119 WeakPolarHBondContact OD1-CA 3.3Å; N104-I120 PolarHBondContact ND2-O 3.16Å; N104-I120 PolarHBondContact OD1-N 3.11Å
105R94.9Very high91.9Very high75 Ų7566 Ų6628%0.28330%0.299SS..Hα-helixtrans-65.6-43.1176.8-70.4-171.9-165.2-166.39.4111.5Y50 L51 V52 D101 V102 K108 A109Y50-R105 WeakPolarHBondContact O-CD 3.21Å; Y50-R105 PolarHBondContact O-NH1 2.85Å; L51-R105 HydrophobicContact CD2-CB 3.78Å; V52-R105 PolarHBondContact O-NH1 3.28Å; V52-R105 VanDerWaalsContact O-NH1 3.14Å; D101-R105 VanDerWaalsContact CG-NE 3.25Å; D101-R105 WeakPolarHBondContact O-CB 3.47Å; D101-R105 VanDerWaalsContact O-CG 3.26Å; D101-R105 WeakPolarHBondContact O-CG 3.3Å; D101-R105 PolarHBondContact O-N 3.42Å; D101-R105 IonicContact OD1-CZ 3.22Å; D101-R105 IonicContact OD1-NE 3.56Å; D101-R105 PolarHBondContact OD1-NE 3.23Å; D101-R105 IonicContact OD1-NH2 2.66Å; D101-R105 PolarHBondContact OD1-NH2 3.11Å; D101-R105 IonicContact OD2-CZ 2.98Å; D101-R105 IonicContact OD2-NE 3.59Å; D101-R105 PolarHBondContact OD2-NE 3.32Å; D101-R105 IonicContact OD2-NH2 3.53Å; D101-R105 PolarHBondContact OD2-NH2 2.87Å; V102-R105 PolarHBondContact O-N 3.31Å; R105-K108 PolarHBondContact O-N 2.86Å; R105-A109 WeakPolarHBondContact O-CB 3.19Å; R105-A109 PolarHBondContact O-N 3.5Å
106L94.7Very high91.2Very high3 Ų372.4 Ų72.42%0.01633%0.329CS..Hα-helixtrans-65.2-42.5175.1-69.1173.8000112P40 Y42 E46 L51 V102 H103 K108 A109 R110P40-L106 HydrophobicContact CB-CD1 3.83Å; Y42-L106 HydrophobicContact CD1-CD1 4Å; Y42-L106 HydrophobicContact CG-CD1 4.47Å; E46-L106 HydrophobicContact CB-CD2 4.3Å; L51-L106 HydrophobicContact CD1-CD2 4.29Å; L51-L106 HydrophobicContact CD1-CG 4.48Å; L51-L106 HydrophobicContact CD2-CD2 4.4Å; L51-L106 HydrophobicContact CD2-CG 4.26Å; V102-L106 HydrophobicContact CG1-CD1 3.83Å; V102-L106 HydrophobicContact CG1-CG 4.41Å; V102-L106 WeakPolarHBondContact O-CB 3.36Å; V102-L106 WeakPolarHBondContact O-CG 3.43Å; V102-L106 PolarHBondContact O-N 2.87Å; H103-L106 PolarHBondContact O-N 3.12Å; L106-K108 VanDerWaalsContact C-N 3.34Å; L106-K108 PolarHBondContact O-N 3.22Å; L106-A109 PolarHBondContact O-N 3.01Å; L106-R110 WeakPolarHBondContact O-CB 3.38Å; L106-R110 VanDerWaalsContact O-CG 3.3Å; L106-R110 WeakPolarHBondContact O-CG 3.47Å; L106-R110 PolarHBondContact O-N 2.71Å
107Q93.1Very high90.6Very high60 Ų6072.1 Ų72.128%0.2833%0.332SS..Hα-helixtrans-59.2-44.9175.2-75.3-64.5-23.400111.3H103 N104 A109 R110 T111 L119H103-Q107 WeakPolarHBondContact O-CB 3.33Å; H103-Q107 VanDerWaalsContact O-CG 3.26Å; H103-Q107 WeakPolarHBondContact O-CG 3.25Å; H103-Q107 PolarHBondContact O-N 3.42Å; N104-Q107 PolarHBondContact O-N 2.79Å; Q107-A109 PolarHBondContact O-N 2.75Å; Q107-R110 PolarHBondContact O-N 3.02Å; Q107-T111 WeakPolarHBondContact O-CB 3.41Å; Q107-T111 PolarHBondContact O-N 2.91Å; Q107-T111 PolarHBondContact O-OG1 3.49Å; Q107-L119 HydrophobicContact CB-CD2 4.33Å
108K92.6Very high90.1Very high127 Ų12772.4 Ų72.455%0.55234%0.337SS*.Hα-helixtrans-62.3-41.1175.3-72.9175.8-178177.40112.8N104 R105 L106 P117 L119N104-K108 VanDerWaalsContact O-CG 3.3Å; N104-K108 WeakPolarHBondContact O-CG 3.39Å; N104-K108 PolarHBondContact O-N 3.02Å; R105-K108 PolarHBondContact O-N 2.86Å; L106-K108 VanDerWaalsContact C-N 3.34Å; L106-K108 PolarHBondContact O-N 3.22Å; K108-P117 HydrophobicContact CG-CB 4.39Å; K108-P117 HydrophobicContact CG-CG 4.27Å; K108-L119 HydrophobicContact CD-CD2 4.42Å; K108-L119 VanDerWaalsContact CE-CD1 3.47Å; K108-L119 HydrophobicContact CG-CD2 3.85Å
109A92.2Very high89.8Confident38 Ų3875.2 Ų75.231%0.31435%0.352SS..Hα-helixtrans-70.5-35.1-179.300000112.9Y50 R105 L106 Q107Y50-A109 HydrophobicContact CD1-CB 4.21Å; Y50-A109 HydrophobicContact CD2-CB 3.88Å; Y50-A109 HydrophobicContact CE1-CB 4Å; Y50-A109 HydrophobicContact CE2-CB 3.68Å; Y50-A109 HydrophobicContact CG-CB 4.14Å; R105-A109 WeakPolarHBondContact O-CB 3.19Å; R105-A109 PolarHBondContact O-N 3.5Å; L106-A109 PolarHBondContact O-N 3.01Å; Q107-A109 PolarHBondContact O-N 2.75Å
110R92.7Very high89.4Confident119 Ų11977.4 Ų77.445%0.44936%0.364SS..Hα-helixtrans-90.8-21.3-175.7-67.1173.3178.8173.2-1.9113.9R41 E46 L106 Q107 E112R41-R110 PolarHBondContact O-NH1 2.96Å; R41-R110 VanDerWaalsContact O-NH1 3.14Å; R41-R110 PolarHBondContact O-NH2 2.95Å; E46-R110 IonicContact OE1-CZ 3.45Å; E46-R110 IonicContact OE1-NE 3.71Å; E46-R110 PolarHBondContact OE1-NE 3.18Å; E46-R110 IonicContact OE1-NH2 2.84Å; E46-R110 PolarHBondContact OE1-NH2 2.67Å; E46-R110 IonicContact OE2-CZ 3.87Å; E46-R110 IonicContact OE2-NH2 2.76Å; E46-R110 PolarHBondContact OE2-NH2 3.43Å; L106-R110 WeakPolarHBondContact O-CB 3.38Å; L106-R110 VanDerWaalsContact O-CG 3.3Å; L106-R110 WeakPolarHBondContact O-CG 3.47Å; L106-R110 PolarHBondContact O-N 2.71Å; Q107-R110 PolarHBondContact O-N 3.02Å; R110-E112 PolarHBondContact O-N 3.11Å
111T88.9Confident89.1Confident32 Ų3283.3 Ų83.320%0.19639%0.39CS..SBendtrans-75.2121.9178.7-57.90000109.5Q107 R115 P117Q107-T111 WeakPolarHBondContact O-CB 3.41Å; Q107-T111 PolarHBondContact O-N 2.91Å; Q107-T111 PolarHBondContact O-OG1 3.49Å; T111-R115 HydrophobicContact CG2-CB 3.65Å; T111-R115 WeakPolarHBondContact CG2-O 3.36Å; T111-P117 HydrophobicContact CG2-CB 4.31Å
112E82Confident88.9Confident122 Ų12283.3 Ų83.357%0.5739%0.388SS*.  trans-55.2144171.4-66.9172.1-178.800110.6R110 I114 R115R110-E112 PolarHBondContact O-N 3.11Å; E112-I114 PolarHBondContact O-N 3.3Å; E112-R115 PolarHBondContact O-N 3.43Å
113K79.3Confident88.7Confident222 Ų22285.2 Ų85.297%0.96540%0.398SS*.THydrogen-bonded Turntrans-54.1-18.8-177.6-66.3-178.8179.1179.10115
114I78.9Confident88.5Confident158 Ų15884.7 Ų84.781%0.8140%0.397SS*.THydrogen-bonded Turntrans-79.8-26.9-179.6-60166000111.4E112E112-I114 PolarHBondContact O-N 3.3Å
115R82.5Confident88.3Confident175 Ų17587.9 Ų87.966%0.6641%0.414SS*.SBendtrans-103.3146.7-176.1-65.9-175.9-175175.64.1110.8T111 E112T111-R115 HydrophobicContact CG2-CB 3.65Å; T111-R115 WeakPolarHBondContact CG2-O 3.36Å; E112-R115 PolarHBondContact O-N 3.43Å
116Q82.1Confident88.1Confident135 Ų13586.7 Ų86.763%0.63141%0.413SS*.PPolyproline II helixtrans-77.8131.8171.6-67.7-66.8-11.400109.2
117P84Confident88Confident36 Ų3687.9 Ų87.923%0.23442%0.419CS..PPolyproline II helixtrans-71.6136.5178.228.8-33.3000110.2K108 T111 L119K108-P117 HydrophobicContact CG-CB 4.39Å; K108-P117 HydrophobicContact CG-CG 4.27Å; T111-P117 HydrophobicContact CG2-CB 4.31Å; P117-L119 HydrophobicContact CB-CD2 3.9Å; P117-L119 HydrophobicContact CB-CG 4.24Å; P117-L119 HydrophobicContact CG-CD1 4.32Å; P117-L119 HydrophobicContact CG-CD2 4.14Å; P117-L119 HydrophobicContact CG-CG 4.12Å; P117-L119 PolarHBondContact O-N 2.98Å
118N84.4Confident88Confident99 Ų9989.3 Ų89.353%0.52942%0.422SS..  trans-77.489.4174.4-74.1-29.4000109.7
119L89.9Confident88Confident62 Ų6289.2 Ų89.233%0.32542%0.418SS..PPolyproline II helixtrans-90138.6-179.7-54.3-178.6000111N104 Q107 K108 P117N104-L119 HydrophobicContact CB-CD2 4.03Å; N104-L119 WeakPolarHBondContact OD1-CA 3.3Å; Q107-L119 HydrophobicContact CB-CD2 4.33Å; K108-L119 HydrophobicContact CD-CD2 4.42Å; K108-L119 VanDerWaalsContact CE-CD1 3.47Å; K108-L119 HydrophobicContact CG-CD2 3.85Å; P117-L119 HydrophobicContact CB-CD2 3.9Å; P117-L119 HydrophobicContact CB-CG 4.24Å; P117-L119 HydrophobicContact CG-CD1 4.32Å; P117-L119 HydrophobicContact CG-CD2 4.14Å; P117-L119 HydrophobicContact CG-CG 4.12Å; P117-L119 PolarHBondContact O-N 2.98Å
120I89.4Confident87.9Confident52 Ų5291.6 Ų91.627%0.26742%0.419SS..PPolyproline II helixtrans-102117.9174.3-58.6175.1000107.7Y100 N104Y100-I120 HydrophobicContact CD1-CB 4.08Å; Y100-I120 HydrophobicContact CD1-CD1 4.37Å; Y100-I120 HydrophobicContact CD1-CG2 3.72Å; Y100-I120 HydrophobicContact CE1-CB 4.5Å; Y100-I120 HydrophobicContact CE1-CD1 4.31Å; Y100-I120 HydrophobicContact CE1-CG2 3.79Å; N104-I120 PolarHBondContact ND2-O 3.16Å; N104-I120 PolarHBondContact OD1-N 3.11Å
121F89.1Confident87.8Confident138 Ų13890 Ų9061%0.60541%0.413SS*.PPolyproline II helixtrans-85.1122.5178.2-172.5-101.3000110.4D123F121-D123 HydrophobicContact CE1-CB 3.88Å; F121-D123 HydrophobicContact CZ-CB 4.39Å
122F90.5Very high88Confident45 Ų4593.4 Ų93.420%0.19743%0.426CS..  trans-126.6119.6175.6-178.3-102.1000108.9R96 E97 Y100 E127R96-F122 HydrophobicContact CB-CD1 4.32Å; R96-F122 HydrophobicContact CB-CE1 3.58Å; R96-F122 HydrophobicContact CB-CE2 3.97Å; R96-F122 HydrophobicContact CB-CZ 3.4Å; R96-F122 HydrophobicContact CG-CE2 4.46Å; R96-F122 HydrophobicContact CG-CZ 4.15Å; E97-F122 HydrophobicContact CB-CD1 4.35Å; E97-F122 HydrophobicContact CB-CE1 4.26Å; Y100-F122 HydrophobicContact CD2-CB 3.5Å; Y100-F122 VanDerWaalsContact CD2-CB 3.5Å; Y100-F122 AromaticContact CD2-CD1 3.99Å; Y100-F122 HydrophobicContact CD2-CD1 3.99Å; Y100-F122 AromaticContact CD2-CD2 3.71Å; Y100-F122 HydrophobicContact CD2-CD2 3.71Å; Y100-F122 HydrophobicContact CD2-CE2 4.46Å; Y100-F122 AromaticContact CD2-CG 3.45Å; Y100-F122 HydrophobicContact CD2-CG 3.45Å; Y100-F122 VanDerWaalsContact CD2-CG 3.45Å; Y100-F122 HydrophobicContact CE2-CB 4.21Å; Y100-F122 AromaticContact CE2-CD2 3.66Å; Y100-F122 HydrophobicContact CE2-CD2 3.66Å; Y100-F122 HydrophobicContact CE2-CE2 4.2Å; Y100-F122 AromaticContact CE2-CG 3.93Å; Y100-F122 HydrophobicContact CE2-CG 3.93Å; Y100-F122 HydrophobicContact CG-CB 3.92Å; Y100-F122 HydrophobicContact CG-CG 4.35Å; F122-E127 HydrophobicContact CE2-CB 4.39Å; F122-E127 HydrophobicContact CE2-CG 3.7Å; F122-E127 HydrophobicContact CZ-CB 4.11Å; F122-E127 HydrophobicContact CZ-CG 3.92Å
123D91.5Very high88.5Confident39 Ų3994.1 Ų94.121%0.20943%0.43CS..  trans-100.790.7-179-174.8-18.5000107.9F121 D125 N126 E127 R235F121-D123 HydrophobicContact CE1-CB 3.88Å; F121-D123 HydrophobicContact CZ-CB 4.39Å; D123-D125 VanDerWaalsContact C-N 3.35Å; D123-D125 PolarHBondContact O-N 3.49Å; D123-N126 HydrophobicContact CB-CB 3.83Å; D123-N126 PolarHBondContact O-N 3.05Å; D123-N126 VanDerWaalsContact OD1-CB 3.3Å; D123-N126 WeakPolarHBondContact OD1-CB 3.19Å; D123-N126 PolarHBondContact OD1-N 3.37Å; D123-N126 WeakPolarHBondContact OD2-CB 3.41Å; D123-E127 PolarHBondContact O-N 2.89Å; D123-R235 IonicContact OD2-NH1 2.62Å; D123-R235 PolarHBondContact OD2-NH1 2.85Å
124S90.8Very high89.1Confident14 Ų1487 Ų8710%0.09840%0.402CS..Hα-helixtrans-61.2-42.4-175.452.20000111.8N126 E127 R128S124-N126 VanDerWaalsContact C-N 3.32Å; S124-N126 PolarHBondContact O-N 2.98Å; S124-E127 PolarHBondContact O-N 3.22Å; S124-R128 WeakPolarHBondContact O-CB 3.12Å; S124-R128 PolarHBondContact O-N 3.13Å
125D91.9Very high89.7Confident95 Ų9583.4 Ų83.451%0.50838%0.384SS..Hα-helixtrans-61-40.6176.1-73.9-26.6000112.3D123 R129D123-D125 VanDerWaalsContact C-N 3.35Å; D123-D125 PolarHBondContact O-N 3.49Å; D125-R129 WeakPolarHBondContact O-CG 3.46Å; D125-R129 PolarHBondContact O-N 2.96Å; D125-R129 VanDerWaalsContact O-N 3.14Å; D125-R129 PolarHBondContact O-NE 2.85Å
126N90.7Very high90.2Very high50 Ų5080.4 Ų80.427%0.26738%0.381SS..Hα-helixtrans-67.8-43.8175.6-178.781.2000111.9D123 S124 R128 R129 R130D123-N126 HydrophobicContact CB-CB 3.83Å; D123-N126 PolarHBondContact O-N 3.05Å; D123-N126 VanDerWaalsContact OD1-CB 3.3Å; D123-N126 WeakPolarHBondContact OD1-CB 3.19Å; D123-N126 PolarHBondContact OD1-N 3.37Å; D123-N126 WeakPolarHBondContact OD2-CB 3.41Å; S124-N126 VanDerWaalsContact C-N 3.32Å; S124-N126 PolarHBondContact O-N 2.98Å; N126-R128 VanDerWaalsContact C-N 3.34Å; N126-R129 PolarHBondContact O-N 3.1Å; N126-R130 VanDerWaalsContact O-CB 3.3Å; N126-R130 WeakPolarHBondContact O-CB 3.34Å; N126-R130 PolarHBondContact O-N 3.25Å
127E91.5Very high90.6Very high28 Ų2879 Ų7913%0.13138%0.378CS..Hα-helixtrans-66.3-36.4178.8-73.3-54.5108.100112.5F122 D123 S124 R130 R131F122-E127 HydrophobicContact CE2-CB 4.39Å; F122-E127 HydrophobicContact CE2-CG 3.7Å; F122-E127 HydrophobicContact CZ-CB 4.11Å; F122-E127 HydrophobicContact CZ-CG 3.92Å; D123-E127 PolarHBondContact O-N 2.89Å; S124-E127 PolarHBondContact O-N 3.22Å; E127-R130 WeakPolarHBondContact O-CB 3.42Å; E127-R130 PolarHBondContact O-N 3.41Å; E127-R130 IonicContact OE2-NE 3.06Å; E127-R130 PolarHBondContact OE2-NE 3.01Å; E127-R131 WeakPolarHBondContact O-CB 3.37Å; E127-R131 PolarHBondContact O-N 3.24Å
128R92.8Very high91Very high89 Ų8987 Ų8734%0.33640%0.403SS..Hα-helixtrans-60.2-53.5173-172.3178.1-67.4173.4-1.1111D93 D94 S124 N126 R130 R131 E132D93-R128 VanDerWaalsContact OD2-CA 3.3Å; D93-R128 WeakPolarHBondContact OD2-CA 3.4Å; D93-R128 WeakPolarHBondContact OD2-CB 3.36Å; D94-R128 IonicContact OD1-NH2 3.81Å; D94-R128 PolarHBondContact OD1-NH2 3.09Å; S124-R128 WeakPolarHBondContact O-CB 3.12Å; S124-R128 PolarHBondContact O-N 3.13Å; N126-R128 VanDerWaalsContact C-N 3.34Å; R128-R130 VanDerWaalsContact C-N 3.28Å; R128-R130 PolarHBondContact O-N 3.25Å; R128-R131 PolarHBondContact O-N 3.27Å; R128-R131 VanDerWaalsContact O-N 3.16Å; R128-E132 WeakPolarHBondContact O-CG 3.46Å; R128-E132 PolarHBondContact O-N 2.96Å
129R92.1Very high91.4Very high126 Ų12688.1 Ų88.148%0.47541%0.407SS..Hα-helixtrans-58.5-39.3175.9-77.2-177.7-89.7116.1-3.6112.3D125 N126 Q133D125-R129 WeakPolarHBondContact O-CG 3.46Å; D125-R129 PolarHBondContact O-N 2.96Å; D125-R129 VanDerWaalsContact O-N 3.14Å; D125-R129 PolarHBondContact O-NE 2.85Å; N126-R129 PolarHBondContact O-N 3.1Å; R129-Q133 VanDerWaalsContact O-CG 3.31Å; R129-Q133 WeakPolarHBondContact O-CG 3.11Å; R129-Q133 PolarHBondContact O-N 3.22Å
130R91Very high91.5Very high87 Ų8789 Ų8933%0.32841%0.406SS..Hα-helixtrans-64.2-43.9177.3-168-171.2100.7817.6111.4N126 E127 R128 Q133 L134 M270 W272N126-R130 VanDerWaalsContact O-CB 3.3Å; N126-R130 WeakPolarHBondContact O-CB 3.34Å; N126-R130 PolarHBondContact O-N 3.25Å; E127-R130 WeakPolarHBondContact O-CB 3.42Å; E127-R130 PolarHBondContact O-N 3.41Å; E127-R130 IonicContact OE2-NE 3.06Å; E127-R130 PolarHBondContact OE2-NE 3.01Å; R128-R130 VanDerWaalsContact C-N 3.28Å; R128-R130 PolarHBondContact O-N 3.25Å; R130-Q133 PolarHBondContact O-N 3.2Å; R130-L134 PolarHBondContact O-N 3.14Å; R130-L134 VanDerWaalsContact O-N 3.12Å; R130-M270 PolarHBondContact NH2-SD 3.07Å; R130-W272 VanDerWaalsContact NH2-NE1 3.19Å
131R90.9Very high91.7Very high87 Ų8789.8 Ų89.833%0.32841%0.413SS..Hα-helixtrans-68.2-41.2178.5-174.6170.564.9-112.9-3.6111.5L92 D93 E127 R128 Q133 L134 N135L92-R131 VanDerWaalsContact CD2-NH1 3.29Å; D93-R131 IonicContact OD1-CZ 3.43Å; D93-R131 IonicContact OD1-NH1 2.84Å; D93-R131 PolarHBondContact OD1-NH1 3.05Å; D93-R131 IonicContact OD2-CZ 2.85Å; D93-R131 IonicContact OD2-NH1 2.89Å; D93-R131 PolarHBondContact OD2-NH1 3.09Å; D93-R131 IonicContact OD2-NH2 3.16Å; D93-R131 PolarHBondContact OD2-NH2 2.86Å; E127-R131 WeakPolarHBondContact O-CB 3.37Å; E127-R131 PolarHBondContact O-N 3.24Å; R128-R131 PolarHBondContact O-N 3.27Å; R128-R131 VanDerWaalsContact O-N 3.16Å; R131-Q133 VanDerWaalsContact C-N 3.34Å; R131-Q133 PolarHBondContact O-N 2.95Å; R131-L134 PolarHBondContact O-N 3.44Å; R131-N135 WeakPolarHBondContact O-CB 3.36Å; R131-N135 PolarHBondContact O-N 3.27Å
132E92.6Very high92Very high103 Ų10388.3 Ų88.348%0.48142%0.415SS..Hα-helixtrans-57.9-45.8174.1-73.2168-176.300111.6R128 L134 N135 N136R128-E132 WeakPolarHBondContact O-CG 3.46Å; R128-E132 PolarHBondContact O-N 2.96Å; E132-L134 VanDerWaalsContact C-N 3.33Å; E132-L134 PolarHBondContact O-N 3.13Å; E132-N135 PolarHBondContact O-N 3.26Å; E132-N136 PolarHBondContact O-N 3Å; E132-N136 PolarHBondContact O-ND2 2.66Å; E132-N136 PolarHBondContact O-OD1 3.45Å
133Q92.5Very high92.2Very high136 Ų13693.7 Ų93.764%0.63644%0.441SS*.Hα-helixtrans-60.3-41.9175.5-74.6174-3.600112.6R129 R130 R131 N136 L137R129-Q133 VanDerWaalsContact O-CG 3.31Å; R129-Q133 WeakPolarHBondContact O-CG 3.11Å; R129-Q133 PolarHBondContact O-N 3.22Å; R130-Q133 PolarHBondContact O-N 3.2Å; R131-Q133 VanDerWaalsContact C-N 3.34Å; R131-Q133 PolarHBondContact O-N 2.95Å; Q133-N136 PolarHBondContact O-N 3.12Å; Q133-L137 PolarHBondContact O-N 2.84Å
134L91.6Very high92.3Very high72 Ų7296.4 Ų96.438%0.37745%0.452SS..Hα-helixtrans-65.6-41.1177.1-176.865.7000111.6R130 R131 E132 N136 L137 W138 W272R130-L134 PolarHBondContact O-N 3.14Å; R130-L134 VanDerWaalsContact O-N 3.12Å; R131-L134 PolarHBondContact O-N 3.44Å; E132-L134 VanDerWaalsContact C-N 3.33Å; E132-L134 PolarHBondContact O-N 3.13Å; L134-N136 VanDerWaalsContact C-N 3.34Å; L134-L137 PolarHBondContact O-N 2.78Å; L134-W138 WeakPolarHBondContact O-CB 3.25Å; L134-W138 PolarHBondContact O-N 3.28Å; L134-W272 HydrophobicContact CD2-CH2 3.33Å; L134-W272 HydrophobicContact CD2-CZ2 3.74Å; L134-W272 HydrophobicContact CD2-CZ3 4.3Å
135N92.4Very high92.4Very high83 Ų8397.3 Ų97.344%0.44446%0.46SS..Hα-helixtrans-63.6-41.8176.6-167.327.7000111.1R131 E132 L137 W138 M139R131-N135 WeakPolarHBondContact O-CB 3.36Å; R131-N135 PolarHBondContact O-N 3.27Å; E132-N135 PolarHBondContact O-N 3.26Å; N135-L137 VanDerWaalsContact C-N 3.33Å; N135-L137 PolarHBondContact O-N 3.19Å; N135-W138 PolarHBondContact O-N 3.07Å; N135-M139 WeakPolarHBondContact O-CB 3.45Å; N135-M139 VanDerWaalsContact O-CG 3.3Å; N135-M139 WeakPolarHBondContact O-CG 3.31Å; N135-M139 PolarHBondContact O-N 3.06Å
136N92.2Very high92.5Very high112 Ų11299.2 Ų99.260%0.59946%0.464SS*.Hα-helixtrans-61.8-40.8175.1-67.3-13.7000112.1E132 Q133 L134 M139 R140E132-N136 PolarHBondContact O-N 3Å; E132-N136 PolarHBondContact O-ND2 2.66Å; E132-N136 PolarHBondContact O-OD1 3.45Å; Q133-N136 PolarHBondContact O-N 3.12Å; L134-N136 VanDerWaalsContact C-N 3.34Å; N136-M139 PolarHBondContact O-N 3.07Å; N136-R140 PolarHBondContact O-N 3.16Å; N136-R140 VanDerWaalsContact O-N 3.11Å
137L91Very high92.7Very high106 Ų106102.3 Ų102.356%0.55548%0.477SS*.Hα-helixtrans-65.5-39.9175.6-177.764.2000111.7Q133 L134 N135 R140Q133-L137 PolarHBondContact O-N 2.84Å; L134-L137 PolarHBondContact O-N 2.78Å; N135-L137 VanDerWaalsContact C-N 3.33Å; N135-L137 PolarHBondContact O-N 3.19Å; L137-R140 WeakPolarHBondContact O-CB 3.28Å; L137-R140 PolarHBondContact O-N 3.18Å
138W91.5Very high92.7Very high204 Ų204105.1 Ų105.177%0.77349%0.49SS*.Hα-helixtrans-65.7-40.5177.4-179-97.7000112.4L134 N135 R140L134-W138 WeakPolarHBondContact O-CB 3.25Å; L134-W138 PolarHBondContact O-N 3.28Å; N135-W138 PolarHBondContact O-N 3.07Å; W138-R140 VanDerWaalsContact C-N 3.26Å; W138-R140 PolarHBondContact O-N 3.07Å
139M93.2Very high92.7Very high123 Ų123105.4 Ų105.461%0.60650%0.495SS*.THydrogen-bonded Turntrans-84.74.8179-60.9-60.8-177.500113.4N135 N136 T141N135-M139 WeakPolarHBondContact O-CB 3.45Å; N135-M139 VanDerWaalsContact O-CG 3.3Å; N135-M139 WeakPolarHBondContact O-CG 3.31Å; N135-M139 PolarHBondContact O-N 3.06Å; N136-M139 PolarHBondContact O-N 3.07Å; M139-T141 PolarHBondContact O-N 3.3Å
140R91.9Very high92.9Very high81 Ų81105.8 Ų105.831%0.30650%0.503SS..  trans-61.3125.4-178.7-179.1175.1174.8166.7-3.8110.5N136 L137 W138 Q144 A145 E148N136-R140 PolarHBondContact O-N 3.16Å; N136-R140 VanDerWaalsContact O-N 3.11Å; L137-R140 WeakPolarHBondContact O-CB 3.28Å; L137-R140 PolarHBondContact O-N 3.18Å; W138-R140 VanDerWaalsContact C-N 3.26Å; W138-R140 PolarHBondContact O-N 3.07Å; R140-Q144 HydrophobicContact CG-CB 4.31Å; R140-A145 HydrophobicContact CG-CB 4.35Å; R140-A145 VanDerWaalsContact NE-CB 3.25Å; R140-A145 VanDerWaalsContact NH2-CA 3.29Å; R140-A145 PolarHBondContact NH2-O 2.79Å; R140-E148 IonicContact CZ-OE1 3.72Å; R140-E148 IonicContact CZ-OE2 2.71Å; R140-E148 IonicContact NE-OE2 2.63Å; R140-E148 IonicContact NH1-OE1 3.17Å; R140-E148 PolarHBondContact NH1-OE1 2.91Å; R140-E148 IonicContact NH1-OE2 3.13Å; R140-E148 PolarHBondContact NH1-OE2 3.22Å; R140-E148 IonicContact NH2-OE1 3Å; R140-E148 PolarHBondContact NH2-OE1 2.99Å; R140-E148 VanDerWaalsContact NH2-OE1 3.16Å; R140-E148 IonicContact NH2-OE2 3.61Å; R140-E148 PolarHBondContact NH2-OE2 3.44Å; R140-E148 VanDerWaalsContact NH2-OE2 3.17Å
141T95.3Very high93.1Very high67 Ų67106.7 Ų106.741%0.41151%0.513SS..  trans-80.8160.1174.264.10000111.5M139 E143 Q144 A145M139-T141 PolarHBondContact O-N 3.3Å; T141-E143 VanDerWaalsContact C-N 3.26Å; T141-E143 PolarHBondContact O-N 3.23Å; T141-Q144 PolarHBondContact O-N 2.99Å; T141-Q144 WeakPolarHBondContact OG1-CB 3.47Å; T141-Q144 VanDerWaalsContact OG1-CD 3.26Å; T141-Q144 WeakPolarHBondContact OG1-CG 3.29Å; T141-Q144 PolarHBondContact OG1-N 3.49Å; T141-Q144 PolarHBondContact OG1-OE1 3Å; T141-Q144 VanDerWaalsContact OG1-OE1 3.07Å; T141-A145 WeakPolarHBondContact O-CB 3.1Å; T141-A145 PolarHBondContact O-N 3.22Å
142V94.9Very high93.1Very high107 Ų107106.6 Ų106.665%0.64852%0.518SS*.Hα-helixtrans-62.4-35.3176.3-179.60000111.5A145 K146V142-A145 WeakPolarHBondContact O-CB 3.44Å; V142-A145 PolarHBondContact O-N 3.08Å; V142-K146 WeakPolarHBondContact O-CG 3.45Å; V142-K146 PolarHBondContact O-N 3.49Å
143E95Very high93.2Very high159 Ų159106.7 Ų106.774%0.74352%0.519SS*.Hα-helixtrans-65.8-50.4177.3-66.1179.3174.100111.4T141 A145 K146 E147T141-E143 VanDerWaalsContact C-N 3.26Å; T141-E143 PolarHBondContact O-N 3.23Å; E143-A145 PolarHBondContact O-N 3.49Å; E143-K146 PolarHBondContact O-N 2.63Å; E143-K146 VanDerWaalsContact O-N 3.1Å; E143-E147 PolarHBondContact O-N 3.3Å
144Q93.6Very high93.3Very high96 Ų96101.8 Ų101.845%0.44951%0.505SS..Hα-helixtrans-56.6-35.1172.6-73.2167.3-25.600111.4R140 T141 E148R140-Q144 HydrophobicContact CG-CB 4.31Å; T141-Q144 PolarHBondContact O-N 2.99Å; T141-Q144 WeakPolarHBondContact OG1-CB 3.47Å; T141-Q144 VanDerWaalsContact OG1-CD 3.26Å; T141-Q144 WeakPolarHBondContact OG1-CG 3.29Å; T141-Q144 PolarHBondContact OG1-N 3.49Å; T141-Q144 PolarHBondContact OG1-OE1 3Å; T141-Q144 VanDerWaalsContact OG1-OE1 3.07Å; Q144-E148 WeakPolarHBondContact O-CB 3.22Å; Q144-E148 PolarHBondContact O-N 3.31Å
145A92Very high93.3Very high32 Ų32103 Ų10326%0.26451%0.511SS..Hα-helixtrans-67.1-40.1178.300000113.8R140 T141 V142 E143 Q149R140-A145 HydrophobicContact CG-CB 4.35Å; R140-A145 VanDerWaalsContact NE-CB 3.25Å; R140-A145 VanDerWaalsContact NH2-CA 3.29Å; R140-A145 PolarHBondContact NH2-O 2.79Å; T141-A145 WeakPolarHBondContact O-CB 3.1Å; T141-A145 PolarHBondContact O-N 3.22Å; V142-A145 WeakPolarHBondContact O-CB 3.44Å; V142-A145 PolarHBondContact O-N 3.08Å; E143-A145 PolarHBondContact O-N 3.49Å; A145-Q149 PolarHBondContact O-N 3.01Å
146K94.8Very high93.3Very high135 Ų135102.6 Ų102.659%0.58752%0.515SS*.Hα-helixtrans-68.9-45.3174.3-70.2176.8-179.8-179.50111.6V142 E143 E148 Q149 E150V142-K146 WeakPolarHBondContact O-CG 3.45Å; V142-K146 PolarHBondContact O-N 3.49Å; E143-K146 PolarHBondContact O-N 2.63Å; E143-K146 VanDerWaalsContact O-N 3.1Å; K146-E148 VanDerWaalsContact C-N 3.33Å; K146-E148 PolarHBondContact O-N 3.37Å; K146-Q149 WeakPolarHBondContact O-CB 3.5Å; K146-Q149 PolarHBondContact O-N 2.98Å; K146-Q149 VanDerWaalsContact O-N 3.08Å; K146-E150 WeakPolarHBondContact O-CG 3.46Å; K146-E150 PolarHBondContact O-N 2.88Å
147E94.6Very high93.5Very high115 Ų115101.1 Ų101.154%0.53751%0.51SS..Hα-helixtrans-57.4-45.9176.9-174.9-175.6179.200111.3E143 Q149 E150 L151E143-E147 PolarHBondContact O-N 3.3Å; E147-Q149 VanDerWaalsContact C-N 3.29Å; E147-Q149 PolarHBondContact O-N 3.28Å; E147-E150 PolarHBondContact O-N 2.95Å; E147-L151 HydrophobicContact CG-CD1 4.26Å; E147-L151 WeakPolarHBondContact O-CB 3.27Å; E147-L151 VanDerWaalsContact O-CG 3.27Å; E147-L151 WeakPolarHBondContact O-CG 3.4Å; E147-L151 PolarHBondContact O-N 3.42Å
148E91.2Very high93.5Very high88 Ų88101 Ų10141%0.41151%0.508SS..Hα-helixtrans-60.5-38.8176-173.8-176123.800112.2R140 Q144 K146 L151 I152R140-E148 IonicContact CZ-OE1 3.72Å; R140-E148 IonicContact CZ-OE2 2.71Å; R140-E148 IonicContact NE-OE2 2.63Å; R140-E148 IonicContact NH1-OE1 3.17Å; R140-E148 PolarHBondContact NH1-OE1 2.91Å; R140-E148 IonicContact NH1-OE2 3.13Å; R140-E148 PolarHBondContact NH1-OE2 3.22Å; R140-E148 IonicContact NH2-OE1 3Å; R140-E148 PolarHBondContact NH2-OE1 2.99Å; R140-E148 VanDerWaalsContact NH2-OE1 3.16Å; R140-E148 IonicContact NH2-OE2 3.61Å; R140-E148 PolarHBondContact NH2-OE2 3.44Å; R140-E148 VanDerWaalsContact NH2-OE2 3.17Å; Q144-E148 WeakPolarHBondContact O-CB 3.22Å; Q144-E148 PolarHBondContact O-N 3.31Å; K146-E148 VanDerWaalsContact C-N 3.33Å; K146-E148 PolarHBondContact O-N 3.37Å; E148-L151 PolarHBondContact O-N 2.94Å; E148-I152 HydrophobicContact CG-CD1 4.05Å; E148-I152 VanDerWaalsContact O-CG1 3.23Å; E148-I152 WeakPolarHBondContact O-CG1 3.39Å; E148-I152 PolarHBondContact O-N 2.82Å
149Q93.3Very high93.5Very high94 Ų9495.4 Ų95.444%0.43949%0.491SS..Hα-helixtrans-64.8-45.4176.6-177.861.627.500111.4A145 K146 E147 L151 I152 E153A145-Q149 PolarHBondContact O-N 3.01Å; K146-Q149 WeakPolarHBondContact O-CB 3.5Å; K146-Q149 PolarHBondContact O-N 2.98Å; K146-Q149 VanDerWaalsContact O-N 3.08Å; E147-Q149 VanDerWaalsContact C-N 3.29Å; E147-Q149 PolarHBondContact O-N 3.28Å; Q149-L151 VanDerWaalsContact C-N 3.3Å; Q149-L151 PolarHBondContact O-N 3.27Å; Q149-I152 PolarHBondContact O-N 3.11Å; Q149-E153 PolarHBondContact NE2-OE1 2.88Å; Q149-E153 WeakPolarHBondContact O-CG 3.32Å; Q149-E153 PolarHBondContact O-N 2.74Å
150E96.1Very high93.5Very high135 Ų13592.3 Ų92.363%0.63149%0.485SS*.Hα-helixtrans-60.8-39.8175.1-69.2173.1-170.300111.6K146 E147 E153 G154K146-E150 WeakPolarHBondContact O-CG 3.46Å; K146-E150 PolarHBondContact O-N 2.88Å; E147-E150 PolarHBondContact O-N 2.95Å; E150-E153 PolarHBondContact O-N 3.19Å; E150-G154 PolarHBondContact O-N 3.23Å
151L93.9Very high93.5Very high106 Ų10693.2 Ų93.256%0.55549%0.492SS*.Hα-helixtrans-65.6-41.6175.4-71.4172.9000112.3E147 E148 Q149 E153 G154 L155E147-L151 HydrophobicContact CG-CD1 4.26Å; E147-L151 WeakPolarHBondContact O-CB 3.27Å; E147-L151 VanDerWaalsContact O-CG 3.27Å; E147-L151 WeakPolarHBondContact O-CG 3.4Å; E147-L151 PolarHBondContact O-N 3.42Å; E148-L151 PolarHBondContact O-N 2.94Å; Q149-L151 VanDerWaalsContact C-N 3.3Å; Q149-L151 PolarHBondContact O-N 3.27Å; L151-E153 VanDerWaalsContact C-N 3.35Å; L151-G154 PolarHBondContact O-N 2.76Å; L151-L155 WeakPolarHBondContact O-CB 3.45Å; L151-L155 VanDerWaalsContact O-CG 3.31Å; L151-L155 WeakPolarHBondContact O-CG 3.42Å; L151-L155 PolarHBondContact O-N 2.92Å
152I92.3Very high93.4Very high85 Ų8595.4 Ų95.444%0.43650%0.496SS..Hα-helixtrans-62.9-43.3176.5-72.1164.6000110.6E148 Q149 L155 S156E148-I152 HydrophobicContact CG-CD1 4.05Å; E148-I152 VanDerWaalsContact O-CG1 3.23Å; E148-I152 WeakPolarHBondContact O-CG1 3.39Å; E148-I152 PolarHBondContact O-N 2.82Å; Q149-I152 PolarHBondContact O-N 3.11Å; I152-L155 PolarHBondContact O-N 3.48Å; I152-S156 PolarHBondContact O-N 3.19Å
153E94.5Very high93.3Very high105 Ų10594.6 Ų94.649%0.49149%0.488SS..Hα-helixtrans-63.5-45.8176.1-71.6172.6-165.400111.3Q149 E150 L151 L155 S156 V157Q149-E153 PolarHBondContact NE2-OE1 2.88Å; Q149-E153 WeakPolarHBondContact O-CG 3.32Å; Q149-E153 PolarHBondContact O-N 2.74Å; E150-E153 PolarHBondContact O-N 3.19Å; L151-E153 VanDerWaalsContact C-N 3.35Å; E153-L155 PolarHBondContact O-N 3.05Å; E153-S156 WeakPolarHBondContact O-CB 3.31Å; E153-S156 PolarHBondContact O-N 3.41Å; E153-V157 WeakPolarHBondContact O-CG2 3.46Å; E153-V157 PolarHBondContact O-N 3.37Å; E153-V157 VanDerWaalsContact O-N 3.14Å
154G94.1Very high93.3Very high33 Ų3391.1 Ų91.134%0.3447%0.472SS..Hα-helixtrans-59-42.7174.300000113E150 L151 S156 V157 I158E150-G154 PolarHBondContact O-N 3.23Å; L151-G154 PolarHBondContact O-N 2.76Å; G154-S156 PolarHBondContact O-N 2.9Å; G154-V157 PolarHBondContact O-N 3.13Å; G154-I158 WeakPolarHBondContact O-CG1 3.47Å; G154-I158 PolarHBondContact O-N 2.83Å
155L92.2Very high93.2Very high97 Ų9793.9 Ų93.951%0.50848%0.478SS..Hα-helixtrans-61.7-42.7174.9-78.2174.3000111.8L151 I152 E153 V157 I158 E159L151-L155 WeakPolarHBondContact O-CB 3.45Å; L151-L155 VanDerWaalsContact O-CG 3.31Å; L151-L155 WeakPolarHBondContact O-CG 3.42Å; L151-L155 PolarHBondContact O-N 2.92Å; I152-L155 PolarHBondContact O-N 3.48Å; E153-L155 PolarHBondContact O-N 3.05Å; L155-V157 VanDerWaalsContact C-N 3.32Å; L155-V157 PolarHBondContact O-N 3.01Å; L155-I158 PolarHBondContact O-N 3.08Å; L155-E159 WeakPolarHBondContact O-CB 3.27Å; L155-E159 WeakPolarHBondContact O-CG 3.41Å; L155-E159 PolarHBondContact O-N 2.89Å
156S92.2Very high93.2Very high74 Ų7496.8 Ų96.852%0.51749%0.486SS..Hα-helixtrans-58.7-43.7177.7-171.20000112I152 E153 G154 E159 A160I152-S156 PolarHBondContact O-N 3.19Å; E153-S156 WeakPolarHBondContact O-CB 3.31Å; E153-S156 PolarHBondContact O-N 3.41Å; G154-S156 PolarHBondContact O-N 2.9Å; S156-E159 PolarHBondContact O-N 3.21Å; S156-A160 WeakPolarHBondContact O-CB 3.47Å; S156-A160 PolarHBondContact O-N 3.27Å
157V95Very high93.2Very high82 Ų8295.9 Ų95.950%0.49748%0.482SS..Hα-helixtrans-64-45.3176.81740000111.3E153 G154 L155 E159 A160 H161E153-V157 WeakPolarHBondContact O-CG2 3.46Å; E153-V157 PolarHBondContact O-N 3.37Å; E153-V157 VanDerWaalsContact O-N 3.14Å; G154-V157 PolarHBondContact O-N 3.13Å; L155-V157 VanDerWaalsContact C-N 3.32Å; L155-V157 PolarHBondContact O-N 3.01Å; V157-E159 PolarHBondContact O-N 3.12Å; V157-A160 PolarHBondContact O-N 2.74Å; V157-H161 PolarHBondContact O-CD2 3.46Å; V157-H161 VanDerWaalsContact O-CD2 3.23Å; V157-H161 PolarHBondContact O-N 2.95Å
158I92.6Very high93.2Very high103 Ų10395.9 Ų95.953%0.52848%0.48SS..Hα-helixtrans-62.4-43.7177.9-67.7166.5000111.1G154 L155 H161 K162G154-I158 WeakPolarHBondContact O-CG1 3.47Å; G154-I158 PolarHBondContact O-N 2.83Å; L155-I158 PolarHBondContact O-N 3.08Å; I158-H161 PolarHBondContact O-N 3.28Å; I158-K162 WeakPolarHBondContact O-CB 3.24Å; I158-K162 PolarHBondContact O-N 3.36Å
159E91.1Very high93.2Very high86 Ų8695.4 Ų95.440%0.40248%0.483SS..Hα-helixtrans-62.1-42.2176.9-75.8-172.7173.300111.7L155 S156 V157 K162 L163 S230L155-E159 WeakPolarHBondContact O-CB 3.27Å; L155-E159 WeakPolarHBondContact O-CG 3.41Å; L155-E159 PolarHBondContact O-N 2.89Å; S156-E159 PolarHBondContact O-N 3.21Å; V157-E159 PolarHBondContact O-N 3.12Å; E159-K162 PolarHBondContact O-N 3Å; E159-L163 WeakPolarHBondContact O-CB 3.24Å; E159-L163 PolarHBondContact O-N 2.87Å; E159-S230 WeakPolarHBondContact OE1-CB 3.23Å; E159-S230 PolarHBondContact OE1-OG 3.41Å
160A92.2Very high93.2Very high59 Ų5995.7 Ų95.749%0.48848%0.484SS..Hα-helixtrans-60.9-47.3175.300000111.9S156 V157 K162 L163 E164S156-A160 WeakPolarHBondContact O-CB 3.47Å; S156-A160 PolarHBondContact O-N 3.27Å; V157-A160 PolarHBondContact O-N 2.74Å; A160-K162 VanDerWaalsContact C-N 3.34Å; A160-K162 PolarHBondContact O-N 2.96Å; A160-L163 PolarHBondContact O-N 3.41Å; A160-E164 PolarHBondContact O-N 2.93Å
161H93.7Very high93Very high99 Ų9993.1 Ų93.146%0.45848%0.475SS..Hα-helixtrans-66.2-33.4176.2-79.9-66.2000113.3V157 I158 E164 R165V157-H161 PolarHBondContact O-CD2 3.46Å; V157-H161 VanDerWaalsContact O-CD2 3.23Å; V157-H161 PolarHBondContact O-N 2.95Å; I158-H161 PolarHBondContact O-N 3.28Å; H161-E164 IonicContact ND1-OE2 3.68Å; H161-R165 WeakPolarHBondContact O-CB 3.45Å; H161-R165 WeakPolarHBondContact O-CG 3.26Å; H161-R165 PolarHBondContact O-N 3.29Å; H161-R165 PolarHBondContact O-NE 3.45Å
162K93.1Very high92.9Very high114 Ų11493 Ų9350%0.49647%0.474SS..Hα-helixtrans-65.3-44.9173.6-175.9-179.4177.4-176.80110.5I158 E159 A160 R165 Q166I158-K162 WeakPolarHBondContact O-CB 3.24Å; I158-K162 PolarHBondContact O-N 3.36Å; E159-K162 PolarHBondContact O-N 3Å; A160-K162 VanDerWaalsContact C-N 3.34Å; A160-K162 PolarHBondContact O-N 2.96Å; K162-R165 PolarHBondContact O-N 2.93Å; K162-Q166 WeakPolarHBondContact O-CG 3.48Å; K162-Q166 PolarHBondContact O-N 3.39Å
163L92.9Very high92.8Very high89 Ų8994.6 Ų94.647%0.46648%0.48SS..Hα-helixtrans-63.9-42.1177-176.665.6000111.8E159 A160 Q166 K167E159-L163 WeakPolarHBondContact O-CB 3.24Å; E159-L163 PolarHBondContact O-N 2.87Å; A160-L163 PolarHBondContact O-N 3.41Å; L163-Q166 PolarHBondContact O-N 3.41Å; L163-K167 WeakPolarHBondContact O-CG 3.46Å; L163-K167 PolarHBondContact O-N 2.88Å
164E93.4Very high92.6Very high86 Ų8695 Ų9540%0.40248%0.48SS..Hα-helixtrans-60.5-46.3176.2-167.9-164.3167.200111.7A160 H161 K167 K168A160-E164 PolarHBondContact O-N 2.93Å; H161-E164 IonicContact ND1-OE2 3.68Å; E164-K167 PolarHBondContact O-N 2.99Å; E164-K168 WeakPolarHBondContact O-CG 3.36Å; E164-K168 PolarHBondContact O-N 2.89Å; E164-K168 WeakPolarHBondContact OE1-CE 3.14Å; E164-K168 IonicContact OE1-NZ 2.67Å; E164-K168 PolarHBondContact OE1-NZ 3.17Å
165R93Very high92.3Very high155 Ų15599.2 Ų99.259%0.58549%0.494SS*.Hα-helixtrans-61.8-43.2175.4-76.2-177.6-72.3164.1-6.8112.2H161 K162 K167 K168 V169H161-R165 WeakPolarHBondContact O-CB 3.45Å; H161-R165 WeakPolarHBondContact O-CG 3.26Å; H161-R165 PolarHBondContact O-N 3.29Å; H161-R165 PolarHBondContact O-NE 3.45Å; K162-R165 PolarHBondContact O-N 2.93Å; R165-K167 VanDerWaalsContact C-N 3.32Å; R165-K167 PolarHBondContact O-N 2.9Å; R165-K168 PolarHBondContact O-N 3.48Å; R165-V169 WeakPolarHBondContact O-CG2 2.97Å; R165-V169 PolarHBondContact O-N 3.42Å
166Q92.3Very high92.1Very high92 Ų9299.1 Ų99.143%0.4349%0.493SS..Hα-helixtrans-60.2-41.6176.1-75.9177.3-6.400111.9K162 L163 V169 Q170K162-Q166 WeakPolarHBondContact O-CG 3.48Å; K162-Q166 PolarHBondContact O-N 3.39Å; L163-Q166 PolarHBondContact O-N 3.41Å; Q166-V169 PolarHBondContact O-N 2.77Å; Q166-Q170 VanDerWaalsContact O-CG 3.3Å; Q166-Q170 WeakPolarHBondContact O-CG 3.17Å; Q166-Q170 PolarHBondContact O-N 3.42Å
167K93.4Very high91.7Very high116 Ų11698.5 Ų98.550%0.50449%0.489SS..Hα-helixtrans-61.8-47.1174.5-72.1175.2179.7179.10112L163 E164 R165 V169 Q170 D171L163-K167 WeakPolarHBondContact O-CG 3.46Å; L163-K167 PolarHBondContact O-N 2.88Å; E164-K167 PolarHBondContact O-N 2.99Å; R165-K167 VanDerWaalsContact C-N 3.32Å; R165-K167 PolarHBondContact O-N 2.9Å; K167-V169 VanDerWaalsContact C-N 3.35Å; K167-V169 PolarHBondContact O-N 2.87Å; K167-Q170 PolarHBondContact O-N 3.35Å; K167-D171 PolarHBondContact O-N 3.35Å
168K94.1Very high91Very high115 Ų115100.5 Ų100.550%0.549%0.493SS..Hα-helixtrans-59.8-42.6177.5-71.2177.2-175.3170.10112.2E164 R165 D171 L172E164-K168 WeakPolarHBondContact O-CG 3.36Å; E164-K168 PolarHBondContact O-N 2.89Å; E164-K168 WeakPolarHBondContact OE1-CE 3.14Å; E164-K168 IonicContact OE1-NZ 2.67Å; E164-K168 PolarHBondContact OE1-NZ 3.17Å; R165-K168 PolarHBondContact O-N 3.48Å; K168-D171 PolarHBondContact O-N 2.72Å; K168-L172 WeakPolarHBondContact O-CB 3.37Å; K168-L172 VanDerWaalsContact O-CG 3.28Å; K168-L172 WeakPolarHBondContact O-CG 3.47Å; K168-L172 PolarHBondContact O-N 3.23Å
169V93Very high90.2Very high78 Ų78102.8 Ų102.847%0.47350%0.501SS..Hα-helixtrans-63.3-46.2176172.50000110.9R165 Q166 K167 D171 L172 E173R165-V169 WeakPolarHBondContact O-CG2 2.97Å; R165-V169 PolarHBondContact O-N 3.42Å; Q166-V169 PolarHBondContact O-N 2.77Å; K167-V169 VanDerWaalsContact C-N 3.35Å; K167-V169 PolarHBondContact O-N 2.87Å; V169-D171 VanDerWaalsContact C-N 3.32Å; V169-D171 PolarHBondContact O-N 3.32Å; V169-L172 PolarHBondContact O-N 3.39Å; V169-E173 HydrophobicContact CG1-CG 4.5Å; V169-E173 WeakPolarHBondContact O-CG 3.32Å; V169-E173 PolarHBondContact O-N 3.24Å
170Q91.5Very high89.1Confident100 Ų100106.6 Ų106.647%0.46752%0.516SS..Hα-helixtrans-61.3-39176.8-73.5174.911.900112.6Q166 K167 E173 K174Q166-Q170 VanDerWaalsContact O-CG 3.3Å; Q166-Q170 WeakPolarHBondContact O-CG 3.17Å; Q166-Q170 PolarHBondContact O-N 3.42Å; K167-Q170 PolarHBondContact O-N 3.35Å; Q170-E173 PolarHBondContact O-N 3.44Å; Q170-K174 VanDerWaalsContact O-CG 3.28Å; Q170-K174 WeakPolarHBondContact O-CG 3.32Å; Q170-K174 PolarHBondContact O-N 2.69Å
171D92.8Very high87.5Confident81 Ų81111.8 Ų111.843%0.43352%0.523SS..Hα-helixtrans-71.1-38.2178-71.4-16.5000112.1K167 K168 V169 K174 L175K167-D171 PolarHBondContact O-N 3.35Å; K168-D171 PolarHBondContact O-N 2.72Å; V169-D171 VanDerWaalsContact C-N 3.32Å; V169-D171 PolarHBondContact O-N 3.32Å; D171-K174 PolarHBondContact O-N 2.78Å; D171-K174 IonicContact OD1-NZ 3.56Å; D171-K174 PolarHBondContact OD1-NZ 3.44Å; D171-L175 WeakPolarHBondContact O-CG 3.42Å; D171-L175 PolarHBondContact O-N 3.04Å
172L90.7Very high85.8Confident103 Ų103112.3 Ų112.354%0.53954%0.536SS..Hα-helixtrans-61.6-44.2171.1-73.8170.1000111.8K168 V169 K174 L175 I176K168-L172 WeakPolarHBondContact O-CB 3.37Å; K168-L172 VanDerWaalsContact O-CG 3.28Å; K168-L172 WeakPolarHBondContact O-CG 3.47Å; K168-L172 PolarHBondContact O-N 3.23Å; V169-L172 PolarHBondContact O-N 3.39Å; L172-K174 VanDerWaalsContact C-N 3.32Å; L172-K174 PolarHBondContact O-N 3.16Å; L172-L175 PolarHBondContact O-N 3.37Å; L172-I176 VanDerWaalsContact O-CG1 3.31Å; L172-I176 WeakPolarHBondContact O-CG1 3.46Å; L172-I176 PolarHBondContact O-N 3.16Å
173E90.9Very high83.9Confident120 Ų120116.2 Ų116.256%0.56155%0.547SS*.Hα-helixtrans-59.5-41.9175.5-75.6175.8170.500111.9V169 Q170 I176 S177V169-E173 HydrophobicContact CG1-CG 4.5Å; V169-E173 WeakPolarHBondContact O-CG 3.32Å; V169-E173 PolarHBondContact O-N 3.24Å; Q170-E173 PolarHBondContact O-N 3.44Å; E173-I176 PolarHBondContact O-N 2.88Å; E173-S177 WeakPolarHBondContact O-CB 3.26Å; E173-S177 PolarHBondContact O-N 2.79Å
174K91Very high82.1Confident114 Ų114121 Ų12150%0.49656%0.564SS.*Hα-helixtrans-61.5-44.5175-71.6169-159.4157.50111.7Q170 D171 L172 S177 H178Q170-K174 VanDerWaalsContact O-CG 3.28Å; Q170-K174 WeakPolarHBondContact O-CG 3.32Å; Q170-K174 PolarHBondContact O-N 2.69Å; D171-K174 PolarHBondContact O-N 2.78Å; D171-K174 IonicContact OD1-NZ 3.56Å; D171-K174 PolarHBondContact OD1-NZ 3.44Å; L172-K174 VanDerWaalsContact C-N 3.32Å; L172-K174 PolarHBondContact O-N 3.16Å; K174-S177 PolarHBondContact O-N 2.86Å; K174-S177 PolarHBondContact O-OG 3.09Å; K174-H178 PolarHBondContact O-N 2.99Å
175L88Confident80.2Confident120 Ų120122 Ų12263%0.62858%0.576SS**Hα-helixtrans-62.7-47.1177.5-71171.5000111.7D171 L172 S177 H178 E179D171-L175 WeakPolarHBondContact O-CG 3.42Å; D171-L175 PolarHBondContact O-N 3.04Å; L172-L175 PolarHBondContact O-N 3.37Å; L175-S177 VanDerWaalsContact C-N 3.26Å; L175-S177 PolarHBondContact O-N 3.47Å; L175-H178 PolarHBondContact O-N 2.81Å; L175-H178 VanDerWaalsContact O-N 3.07Å; L175-E179 PolarHBondContact O-N 3.19Å
176I87.4Confident78Confident96 Ų96118.1 Ų118.149%0.49258%0.578SS.*Hα-helixtrans-59.6-39176-66.4166.1000110.9L172 E173 H178 E179 K180L172-I176 VanDerWaalsContact O-CG1 3.31Å; L172-I176 WeakPolarHBondContact O-CG1 3.46Å; L172-I176 PolarHBondContact O-N 3.16Å; E173-I176 PolarHBondContact O-N 2.88Å; I176-H178 VanDerWaalsContact C-N 3.34Å; I176-E179 PolarHBondContact O-N 3.45Å; I176-K180 HydrophobicContact CG2-CD 4.42Å; I176-K180 WeakPolarHBondContact O-CG 3.26Å; I176-K180 PolarHBondContact O-N 3.39Å
177S84.4Confident75.9Confident61 Ų61119.3 Ų119.343%0.42759%0.587SS.*Hα-helixtrans-68.5-31.6177.180.80000113.2E173 K174 L175E173-S177 WeakPolarHBondContact O-CB 3.26Å; E173-S177 PolarHBondContact O-N 2.79Å; K174-S177 PolarHBondContact O-N 2.86Å; K174-S177 PolarHBondContact O-OG 3.09Å; L175-S177 VanDerWaalsContact C-N 3.26Å; L175-S177 PolarHBondContact O-N 3.47Å
178H79.1Confident73.7Confident124 Ų124116.9 Ų116.957%0.57459%0.589SS**Hα-helixtrans-72.5-40.5175.2-112.779.3000111.7K174 L175 I176 K180 R181K174-H178 PolarHBondContact O-N 2.99Å; L175-H178 PolarHBondContact O-N 2.81Å; L175-H178 VanDerWaalsContact O-N 3.07Å; I176-H178 VanDerWaalsContact C-N 3.34Å; H178-K180 VanDerWaalsContact C-N 3.31Å; H178-K180 PolarHBondContact O-N 3.32Å; H178-R181 WeakPolarHBondContact O-CB 3.45Å; H178-R181 PolarHBondContact O-N 3Å
179E76.1Confident71.6Confident150 Ų150118.4 Ų118.470%0.70160%0.6SS**Hα-helixtrans-63.1-37.1176.8-161.587.1-133.300111.8L175 I176 R181L175-E179 PolarHBondContact O-N 3.19Å; I176-E179 PolarHBondContact O-N 3.45Å; E179-R181 PolarHBondContact O-N 3.39Å
180K67.4Low69.5Low166 Ų166118.1 Ų118.172%0.72261%0.607SS**THydrogen-bonded Turntrans-74.4-7.6177.3-71.5-177.5-178.3-1770114.1I176 H178 P182I176-K180 HydrophobicContact CG2-CD 4.42Å; I176-K180 WeakPolarHBondContact O-CG 3.26Å; I176-K180 PolarHBondContact O-N 3.39Å; H178-K180 VanDerWaalsContact C-N 3.31Å; H178-K180 PolarHBondContact O-N 3.32Å; K180-P182 WeakPolarHBondContact O-CD 3.43Å
181R60.4Low67.6Low169 Ų169121 Ų12164%0.63862%0.62SS**SBendtrans-73.5117.4170.6-73.2-178.4175-163.9-2.8107.7H178 E179 R183H178-R181 WeakPolarHBondContact O-CB 3.45Å; H178-R181 PolarHBondContact O-N 3Å; E179-R181 PolarHBondContact O-N 3.39Å; R181-R183 PolarHBondContact O-N 3.44Å
182P56.2Low65.5Low110 Ų110124.6 Ų124.671%0.71464%0.638SS**  trans-57.6120.7178.423.5-31.8000108.3K180 K184K180-P182 WeakPolarHBondContact O-CD 3.43Å; P182-K184 VanDerWaalsContact C-N 3.3Å; P182-K184 PolarHBondContact O-N 3.38Å
183R53.9Low63.6Low195 Ų195124.2 Ų124.274%0.73665%0.65SS**  trans-59.897.2170-70.3-177.8-170.8176.54106.9R181 T185R181-R183 PolarHBondContact O-N 3.44Å; R183-T185 PolarHBondContact O-N 2.8Å
184K56.2Low61.8Low190 Ų190123.9 Ų123.983%0.82666%0.661SS**THydrogen-bonded Turntrans-66.127.2173.6-71.4-174.7174.2-177.80113.1P182P182-K184 VanDerWaalsContact C-N 3.3Å; P182-K184 PolarHBondContact O-N 3.38Å
185T51.6Low59.6Low106 Ų106129.8 Ų129.865%0.6568%0.68SS**THydrogen-bonded Turntrans-130.40.5-168.453.40000114.3R183R183-T185 PolarHBondContact O-N 2.8Å
186A48.4Very low57.5Low75 Ų75134.8 Ų134.862%0.6269%0.691SS**SBendtrans-94.5-28.2173.600000113.6
187D47.4Very low55.8Low117 Ų117138.6 Ų138.663%0.62671%0.706SS**THydrogen-bonded Turntrans-87.1-8.8-178.8-60.1-34.6000113.6I189 H191D187-I189 VanDerWaalsContact C-N 3.32Å; D187-I189 PolarHBondContact O-N 2.94Å; D187-H191 PolarHBondContact O-CD2 3.45Å
188A47.5Very low53.7Low65 Ų65141.1 Ų141.154%0.53772%0.721SS.*THydrogen-bonded Turntrans-77.4-12.6-178.400000114.4
189I49.6Very low52.4Low146 Ų146140.4 Ų140.475%0.74973%0.73SS**THydrogen-bonded Turntrans-98-21.3177.8-60.5175.7000111.4D187D187-I189 VanDerWaalsContact C-N 3.32Å; D187-I189 PolarHBondContact O-N 2.94Å
190A49.1Very low51.2Low73 Ų73139.4 Ų139.460%0.60373%0.729SS**G310 helixtrans-79.7-16.7176.600000113.8
191H51.1Low50.3Low161 Ų161139.5 Ų139.575%0.74573%0.732SS**G310 helixtrans-914-177.7-75.8-58.7000115.6D187D187-H191 PolarHBondContact O-CD2 3.45Å
192L50Low49.3Very low155 Ų155143.3 Ų143.381%0.81275%0.747SS**G310 helixtrans-92.8-8.6174.5-95.784.1000114.9
193A50.5Low48.4Very low95 Ų95142.4 Ų142.479%0.78575%0.749SS**SBendtrans-106.15-16800000116.3
194S53.5Low48Very low114 Ų114138.4 Ų138.480%0.79775%0.75SS**  trans-134.875176.3-1700000111.8
195R43.1Very low47.4Very low237 Ų237137.4 Ų137.489%0.89475%0.752SS**  trans-86.2108.5156.8-89.1178.4165.8178.8-3.7107.3
196R44.8Very low46.9Very low226 Ų226137.9 Ų137.985%0.85376%0.76SS**  trans175.496.8149.7-99.1165.7-158.5-162.26.5111.3
197H51Low46.5Very low175 Ų175138.1 Ų138.181%0.8176%0.762SS**  148.1129.3121.2-95.2-72.6000111.8
198P40Very low45.9Very low114 Ų114144 Ų14474%0.7478%0.775SS**  trans-97.9130.4177.334.8-26000111
199S51.8Low45.4Very low110 Ų110152.1 Ų152.177%0.76979%0.792SS**  trans-171.2127.1146.345.90000112.9
200D50.7Low45Very low128 Ų128152.4 Ų152.468%0.68480%0.795SS**  trans71.2100.3144.5-63.3-37.4000123.3
201Q49.4Very low44.3Very low169 Ų169156.9 Ų156.979%0.7981%0.809SS**  55104.4115.2-62.6178.253.200118.2
202R39.9Very low43.5Very low249 Ų249157.1 Ų157.194%0.9482%0.815SS**  -175138.998.4-121.5170.3168.6162.5-4.6112.8
203A37.2Very low43Very low91 Ų91158.9 Ų158.975%0.75282%0.819SS**  trans-78.5139.7-179.400000113.5
204S44.2Very low42.2Very low111 Ų111163.7 Ų163.778%0.77682%0.822SS**  trans-166.9102.513758.20000106.5
205I44.3Very low41.3Very low168 Ų168163.6 Ų163.686%0.86282%0.817SS**  39.888.987.3-48.2176.4000112.5
206S42.2Very low40.7Very low116 Ų116161 Ų16181%0.81181%0.814SS**  -166.3111.7125.7-170.90000110.1
207A38.8Very low40.1Very low80 Ų80155.5 Ų155.566%0.66181%0.806SS**  trans-82.8154.6173.900000110.1
208R35.2Very low39.4Very low242 Ų242152 Ų15291%0.91381%0.807SS**  trans69.793.7155.2-63171.1176.4-171.5-0.4117.4
209R36.1Very low39.3Very low234 Ų234150 Ų15088%0.88380%0.797SS**  trans-151.5110.1152.8-85.6-176.1-179.9151-0.9104.6
210N41.7Very low39Very low153 Ų153151.5 Ų151.582%0.81880%0.801SS**  -155.497.659.1-73.9-27.2000110.6
211D34.3Very low38.8Very low167 Ų167153.5 Ų153.589%0.89380%0.804SS**  trans-123.971.9160.2-98.9-38.7000105.6
212L34.5Very low39Very low166 Ų166153.2 Ų153.287%0.86981%0.807SS**  trans-162.565.3177.1-142.975.3000113.2
213E39.6Very low39.5Very low192 Ų192152 Ų15290%0.89780%0.802SS**  trans-134.361149.8-83.2-160.5154.200109.2
214K33.4Very low40.3Very low195 Ų195155.5 Ų155.585%0.84881%0.805SS**  trans-110.265.5159-157.9177.7-174-172.70106.9E216K214-E216 PolarHBondContact O-N 2.81Å
215V34.9Very low41Very low113 Ų113156.2 Ų156.269%0.68580%0.804SS**  trans-71101.2169.3176.20000106.4T217V215-T217 HydrophobicContact CG1-CG2 4.25Å; V215-T217 PolarHBondContact O-N 3.14Å
216E31.6Very low41.5Very low181 Ų181156.7 Ų156.785%0.84680%0.803SS**  trans-55.379.2161.5-70.5179.314800109.4K214 A218K214-E216 PolarHBondContact O-N 2.81Å; E216-A218 VanDerWaalsContact C-N 3.31Å; E216-A218 PolarHBondContact O-N 2.95Å
217T32.2Very low42.3Very low112 Ų112154.7 Ų154.769%0.68778%0.781SS**  trans-82.492.8148.8430000105.6V215 S219V215-T217 HydrophobicContact CG1-CG2 4.25Å; V215-T217 PolarHBondContact O-N 3.14Å; T217-S219 PolarHBondContact O-N 3.36Å
218A34.4Very low43.1Very low100 Ų100156.7 Ų156.783%0.82679%0.79SS**  trans-62.861.6156.300000108.6E216 T220E216-A218 VanDerWaalsContact C-N 3.31Å; E216-A218 PolarHBondContact O-N 2.95Å; A218-T220 PolarHBondContact O-N 3.48Å
219S39.8Very low44.5Very low74 Ų74153.5 Ų153.552%0.51778%0.782SS.*  trans-79.3111.6168.5-171.10000105.2T217 K221T217-S219 PolarHBondContact O-N 3.36Å; S219-K221 PolarHBondContact O-N 3.47Å
220T44.4Very low45.9Very low140 Ų140146.6 Ų146.686%0.85977%0.77SS**  trans-57.359.5162.7-5.70000109.9A218 L222A218-T220 PolarHBondContact O-N 3.48Å; T220-L222 PolarHBondContact O-N 2.71Å
221K45.8Very low47.2Very low171 Ų171142.5 Ų142.574%0.74376%0.764SS**  trans-76.9106.2168.3-86.5178.1178.8176.90106.1S219 R223S219-K221 PolarHBondContact O-N 3.47Å; K221-R223 PolarHBondContact O-N 2.56Å
222L53.7Low48.8Very low163 Ų163141.8 Ų141.885%0.85377%0.766SS**  trans-54.589.6162.1-69.4164.6000107.7T220 M224T220-L222 PolarHBondContact O-N 2.71Å; L222-M224 PolarHBondContact O-N 3.25Å
223R51.4Low50.4Low222 Ų222135.5 Ų135.584%0.83874%0.735SS**  trans-75.1108166.6-90.8-171173.2175.4-1.3106.3K221 V225K221-R223 PolarHBondContact O-N 2.56Å; R223-V225 PolarHBondContact O-N 2.94Å
224M54.1Low51.6Low166 Ų166131.4 Ų131.482%0.81872%0.719SS**  trans-57.7126159.4-80.1-161.3-17900107.2L222 E226L222-M224 PolarHBondContact O-N 3.25Å; M224-E226 PolarHBondContact O-N 3.32Å
225V57.8Low53.1Low126 Ų126129.9 Ų129.976%0.76471%0.708SS**  trans-62.6108.8172.1174.90000106.5R223 Q227R223-V225 PolarHBondContact O-N 2.94Å; V225-Q227 PolarHBondContact O-N 2.82Å
226E56.6Low54.9Low177 Ų177128 Ų12883%0.82770%0.699SS**  trans-59.4122.7167.9-80.9-17916800107.8M224 S228M224-E226 PolarHBondContact O-N 3.32Å; E226-S228 PolarHBondContact O-N 2.93Å
227Q59Low56.4Low74 Ų74123.5 Ų123.535%0.34668%0.678SS.*  trans-68104.1177.2-68.7174.7-42.500107.5V225 K229 S233V225-Q227 PolarHBondContact O-N 2.82Å; Q227-K229 PolarHBondContact O-N 2.82Å; Q227-S233 PolarHBondContact NE2-OG 2.82Å; Q227-S233 PolarHBondContact OE1-OG 3.43Å; Q227-S233 VanDerWaalsContact OE1-OG 3.12Å
228S55.6Low57.8Low122 Ų122125.9 Ų125.985%0.85368%0.675SS**  trans-72.7-4.3-17858.90000114E226E226-S228 PolarHBondContact O-N 2.93Å
229K64.3Low59Low175 Ų175126 Ų12676%0.76167%0.665SS**SBendtrans-113.6124.9177.4-62.6-173.6178.7-172.60109.5Q227Q227-K229 PolarHBondContact O-N 2.82Å
230S64.8Low59.8Low89 Ų89131.7 Ų131.762%0.62268%0.676SS**  trans-61.5139.5163.29.10000109.2E159E159-S230 WeakPolarHBondContact OE1-CB 3.23Å; E159-S230 PolarHBondContact OE1-OG 3.41Å
231G69.4Low60.4Low67 Ų67129.8 Ų129.869%0.69166%0.66SS**SBendtrans140.3-178.8175.300000114.4S233G231-S233 PolarHBondContact O-N 3Å
232V68Low61Low153 Ų153124.1 Ų124.193%0.92764%0.639SS**  trans-67.2125.6177-178.40000109
233S68.5Low61.2Low33 Ų33122.3 Ų122.323%0.23164%0.637CS.*  trans-127.2142.4175.566.70000110.7Q227 G231Q227-S233 PolarHBondContact NE2-OG 2.82Å; Q227-S233 PolarHBondContact OE1-OG 3.43Å; Q227-S233 VanDerWaalsContact OE1-OG 3.12Å; G231-S233 PolarHBondContact O-N 3Å
234L64.9Low61.3Low106 Ų106119.2 Ų119.256%0.55564%0.637SS**  trans-73.3140.8176.6-59.3174.3000109.3S236 Q237L234-S236 WeakPolarHBondContact CB-OG 3.22Å; L234-S236 PolarHBondContact O-N 2.97Å; L234-S236 VanDerWaalsContact O-N 3.11Å; L234-Q237 HydrophobicContact CB-CG 4.14Å; L234-Q237 WeakPolarHBondContact O-CB 3.47Å; L234-Q237 PolarHBondContact O-N 3.4Å
235R64.8Low61.5Low164 Ų164113.6 Ų113.662%0.61961%0.609SS**Hα-helixtrans-51-37172.3-174.5176.7177.2176.1-0.5111.2D123 Q237 R238D123-R235 IonicContact OD2-NH1 2.62Å; D123-R235 PolarHBondContact OD2-NH1 2.85Å; R235-Q237 PolarHBondContact O-N 3.36Å; R235-R238 PolarHBondContact O-N 3.24Å; R235-R238 VanDerWaalsContact O-N 3.13Å
236S71.1Confident61.8Low72 Ų72109.7 Ų109.750%0.50360%0.595SS.*Hα-helixtrans-62-25.3176.3620000114.4L234 R238 T239L234-S236 WeakPolarHBondContact CB-OG 3.22Å; L234-S236 PolarHBondContact O-N 2.97Å; L234-S236 VanDerWaalsContact O-N 3.11Å; S236-R238 VanDerWaalsContact C-N 3.34Å; S236-T239 WeakPolarHBondContact CA-OG1 3.14Å; S236-T239 PolarHBondContact O-OG1 2.89Å
237Q63.4Low62.3Low87 Ų87105.1 Ų105.141%0.40758%0.583SS.*Hα-helixtrans-73.9-27.1176.7-69.1174.83.200112.3L234 R235L234-Q237 HydrophobicContact CB-CG 4.14Å; L234-Q237 WeakPolarHBondContact O-CB 3.47Å; L234-Q237 PolarHBondContact O-N 3.4Å; R235-Q237 PolarHBondContact O-N 3.36Å
238R61.9Low62.7Low162 Ų162107.8 Ų107.861%0.61160%0.599SS**Hα-helixtrans-79.1-22177.6-65.5-176.3174.5163.4-1.2112.7R235 S236R235-R238 PolarHBondContact O-N 3.24Å; R235-R238 VanDerWaalsContact O-N 3.13Å; S236-R238 VanDerWaalsContact C-N 3.34Å
239T60.5Low63.3Low102 Ų102108.4 Ų108.463%0.62659%0.587SS**THydrogen-bonded Turntrans-99.813-177.453.90000113.6S236 L241S236-T239 WeakPolarHBondContact CA-OG1 3.14Å; S236-T239 PolarHBondContact O-OG1 2.89Å; T239-L241 PolarHBondContact O-N 3.41Å; T239-L241 VanDerWaalsContact O-N 3.11Å
240R56.8Low63.6Low194 Ų194102.3 Ų102.373%0.73256%0.564SS**PPolyproline II helixtrans-57.9123.6175.4-68.6-164.9-165.6-137.84.9108.9V242R240-V242 PolarHBondContact O-N 3Å
241L56.5Low64Low100 Ų100104.3 Ų104.352%0.52456%0.561SS.*PPolyproline II helixtrans-51.2130.7168.1-69.2172.4000107.5T239 L245 I253T239-L241 PolarHBondContact O-N 3.41Å; T239-L241 VanDerWaalsContact O-N 3.11Å; L241-L245 HydrophobicContact CB-CD1 4.48Å; L241-I253 HydrophobicContact CD1-CD1 4.1Å; L241-I253 HydrophobicContact CD2-CD1 4.23Å
242V58.1Low64.1Low52 Ų52103.7 Ų103.732%0.31555%0.549SS..PPolyproline II helixtrans-52.2128.3-176.9-174.60000107.6R240 L244 L245R240-V242 PolarHBondContact O-N 3Å; V242-L244 HydrophobicContact CG1-CB 3.94Å; V242-L244 HydrophobicContact CG1-CD1 3.85Å; V242-L244 HydrophobicContact CG1-CG 4.49Å; V242-L244 PolarHBondContact O-N 3.06Å; V242-L245 HydrophobicContact CB-CD1 3.85Å; V242-L245 HydrophobicContact CG2-CD1 4.49Å; V242-L245 WeakPolarHBondContact O-CD1 3.33Å; V242-L245 PolarHBondContact O-N 2.89Å
243P56.8Low64.3Low125 Ų12599 Ų9981%0.81252%0.519SS*.THydrogen-bonded Turntrans-56.1-12.1179.6-26.233.5000114.5
244L54.5Low64.5Low158 Ų158102.6 Ų102.683%0.82753%0.532SS*.THydrogen-bonded Turntrans-81.3-2.5173.9-76124.3000114.6V242 G246V242-L244 HydrophobicContact CG1-CB 3.94Å; V242-L244 HydrophobicContact CG1-CD1 3.85Å; V242-L244 HydrophobicContact CG1-CG 4.49Å; V242-L244 PolarHBondContact O-N 3.06Å; L244-G246 PolarHBondContact O-N 3.05Å
245L57.9Low64.9Low47 Ų47103.9 Ų103.925%0.24654%0.535CS..SBendtrans-72.198.9164.3-79.592.2000107.6L241 V242 K249 V250 I253L241-L245 HydrophobicContact CB-CD1 4.48Å; V242-L245 HydrophobicContact CB-CD1 3.85Å; V242-L245 HydrophobicContact CG2-CD1 4.49Å; V242-L245 WeakPolarHBondContact O-CD1 3.33Å; V242-L245 PolarHBondContact O-N 2.89Å; L245-K249 HydrophobicContact CB-CB 4.19Å; L245-K249 HydrophobicContact CD2-CB 4.09Å; L245-K249 HydrophobicContact CG-CB 4.43Å; L245-V250 HydrophobicContact CB-CG2 4.19Å; L245-V250 WeakPolarHBondContact O-CG2 3.37Å; L245-I253 HydrophobicContact CD2-CD1 3.5Å; L245-I253 VanDerWaalsContact CD2-CD1 3.5Å
246G64.4Low65.3Low44 Ų4498.1 Ų98.145%0.45452%0.522SS..  trans-50.5153.8174.900000112L244 N248 K249 V250L244-G246 PolarHBondContact O-N 3.05Å; G246-N248 PolarHBondContact O-N 3.03Å; G246-K249 PolarHBondContact O-N 3.36Å; G246-V250 PolarHBondContact O-N 3.41Å
247S68.1Low65.4Low82 Ų8298.1 Ų98.157%0.57352%0.516SS*.Hα-helixtrans-47-34-173.954.10000114.4V250 K251S247-V250 PolarHBondContact O-N 2.89Å; S247-K251 WeakPolarHBondContact O-CG 3.37Å; S247-K251 PolarHBondContact O-N 2.9Å
248N67Low65.6Low129 Ų12999.6 Ų99.669%0.6953%0.527SS*.Hα-helixtrans-65.9-36.3176.7-65.3-17.8000113.4G246 A252G246-N248 PolarHBondContact O-N 3.03Å; N248-A252 WeakPolarHBondContact O-CB 3.45Å; N248-A252 PolarHBondContact O-N 2.98Å
249K68.6Low66Low136 Ų13696.9 Ų96.959%0.59153%0.532SS*.Hα-helixtrans-75.4-35.2177.4-66-173.5178.5-178.10111.6L245 G246 A252 I253L245-K249 HydrophobicContact CB-CB 4.19Å; L245-K249 HydrophobicContact CD2-CB 4.09Å; L245-K249 HydrophobicContact CG-CB 4.43Å; G246-K249 PolarHBondContact O-N 3.36Å; K249-A252 PolarHBondContact O-N 2.86Å; K249-I253 VanDerWaalsContact O-CG1 3.26Å; K249-I253 WeakPolarHBondContact O-CG1 3.19Å; K249-I253 PolarHBondContact O-N 3.32Å
250V70.1Confident66.3Low47 Ų4796.1 Ų96.129%0.28552%0.523SS..Hα-helixtrans-63.2-48.1173.11780000110.1L245 G246 S247 A252 I253 E254L245-V250 HydrophobicContact CB-CG2 4.19Å; L245-V250 WeakPolarHBondContact O-CG2 3.37Å; G246-V250 PolarHBondContact O-N 3.41Å; S247-V250 PolarHBondContact O-N 2.89Å; V250-A252 VanDerWaalsContact C-N 3.33Å; V250-A252 PolarHBondContact O-N 3.49Å; V250-I253 WeakPolarHBondContact O-CB 3.1Å; V250-I253 PolarHBondContact O-N 3.14Å; V250-I253 VanDerWaalsContact O-N 3.09Å; V250-E254 HydrophobicContact CG1-CG 4.5Å; V250-E254 WeakPolarHBondContact O-CG 3.46Å; V250-E254 PolarHBondContact O-N 2.85Å
251K72.5Confident66.6Low130 Ų13092.7 Ų92.757%0.56552%0.516SS*.Hα-helixtrans-60.6-39.1174.6-72.9-179.5-179.9-175.50112.9S247 I253 E254 Q255S247-K251 WeakPolarHBondContact O-CG 3.37Å; S247-K251 PolarHBondContact O-N 2.9Å; K251-I253 VanDerWaalsContact C-N 3.3Å; K251-I253 PolarHBondContact O-N 3.49Å; K251-E254 PolarHBondContact O-N 3.45Å; K251-Q255 WeakPolarHBondContact O-CB 3.41Å; K251-Q255 PolarHBondContact O-N 3.17Å
252A72.1Confident66.8Low54 Ų5491.9 Ų91.945%0.44651%0.512SS..Hα-helixtrans-64.6-35.3175.200000112.3N248 K249 V250 A256N248-A252 WeakPolarHBondContact O-CB 3.45Å; N248-A252 PolarHBondContact O-N 2.98Å; K249-A252 PolarHBondContact O-N 2.86Å; V250-A252 VanDerWaalsContact C-N 3.33Å; V250-A252 PolarHBondContact O-N 3.49Å; A252-A256 WeakPolarHBondContact O-CB 3.33Å; A252-A256 PolarHBondContact O-N 3.4Å
253I71.8Confident66.5Low55 Ų5592.3 Ų92.328%0.28253%0.527SS..Hα-helixtrans-70.2-46.7173.9-67.8163.9000110.4L241 L245 K249 V250 K251 Q255 A256 L257L241-I253 HydrophobicContact CD1-CD1 4.1Å; L241-I253 HydrophobicContact CD2-CD1 4.23Å; L245-I253 HydrophobicContact CD2-CD1 3.5Å; L245-I253 VanDerWaalsContact CD2-CD1 3.5Å; K249-I253 VanDerWaalsContact O-CG1 3.26Å; K249-I253 WeakPolarHBondContact O-CG1 3.19Å; K249-I253 PolarHBondContact O-N 3.32Å; V250-I253 WeakPolarHBondContact O-CB 3.1Å; V250-I253 PolarHBondContact O-N 3.14Å; V250-I253 VanDerWaalsContact O-N 3.09Å; K251-I253 VanDerWaalsContact C-N 3.3Å; K251-I253 PolarHBondContact O-N 3.49Å; I253-Q255 VanDerWaalsContact C-N 3.33Å; I253-Q255 PolarHBondContact O-N 3.17Å; I253-A256 CarbonylContact O-C 3.26Å; I253-A256 PolarHBondContact O-N 3.02Å; I253-L257 HydrophobicContact CG2-CD1 3.97Å; I253-L257 HydrophobicContact CG2-CG 4.27Å; I253-L257 WeakPolarHBondContact O-CB 3.19Å; I253-L257 VanDerWaalsContact O-CG 3.24Å; I253-L257 WeakPolarHBondContact O-CG 3.22Å; I253-L257 PolarHBondContact O-N 3.29Å
254E72.1Confident66.1Low108 Ų10894.8 Ų94.851%0.50553%0.525SS..Hα-helixtrans-58.1-46.2175.5-71.5172.6166.500111.1V250 K251 A256 L257 D258V250-E254 HydrophobicContact CG1-CG 4.5Å; V250-E254 WeakPolarHBondContact O-CG 3.46Å; V250-E254 PolarHBondContact O-N 2.85Å; K251-E254 PolarHBondContact O-N 3.45Å; E254-A256 VanDerWaalsContact C-N 3.34Å; E254-A256 PolarHBondContact O-N 3.32Å; E254-L257 WeakPolarHBondContact O-CB 3.3Å; E254-L257 PolarHBondContact O-N 2.93Å; E254-L257 VanDerWaalsContact O-N 3.16Å; E254-D258 PolarHBondContact O-N 3.26Å
255Q74.3Confident65.6Low133 Ų13391.4 Ų91.462%0.62151%0.507SS*.Hα-helixtrans-65.4-36.4177-161.2173.619.100111.9K251 I253 D258 C259K251-Q255 WeakPolarHBondContact O-CB 3.41Å; K251-Q255 PolarHBondContact O-N 3.17Å; I253-Q255 VanDerWaalsContact C-N 3.33Å; I253-Q255 PolarHBondContact O-N 3.17Å; Q255-D258 PolarHBondContact O-N 3.38Å; Q255-C259 WeakPolarHBondContact O-CB 3.3Å; Q255-C259 PolarHBondContact O-N 2.7Å; Q255-C259 PolarHBondContact O-SG 2.9Å
256A73.6Confident64.9Low43 Ų4394.4 Ų94.436%0.35553%0.527SS..Hα-helixtrans-67.7-39.217200000112.1A252 I253 E254 D258 C259 L260A252-A256 WeakPolarHBondContact O-CB 3.33Å; A252-A256 PolarHBondContact O-N 3.4Å; I253-A256 CarbonylContact O-C 3.26Å; I253-A256 PolarHBondContact O-N 3.02Å; E254-A256 VanDerWaalsContact C-N 3.34Å; E254-A256 PolarHBondContact O-N 3.32Å; A256-D258 VanDerWaalsContact C-N 3.32Å; A256-C259 PolarHBondContact O-N 2.97Å; A256-L260 VanDerWaalsContact O-CB 3.23Å; A256-L260 WeakPolarHBondContact O-CB 3.44Å; A256-L260 WeakPolarHBondContact O-CD1 3.48Å; A256-L260 WeakPolarHBondContact O-CG 3.46Å; A256-L260 PolarHBondContact O-N 2.86Å
257L71.9Confident64.1Low72 Ų72100.4 Ų100.438%0.37754%0.537SS..Hα-helixtrans-64.7-37.3175.6-71.4171000111.6I253 E254 Q261 L262I253-L257 HydrophobicContact CG2-CD1 3.97Å; I253-L257 HydrophobicContact CG2-CG 4.27Å; I253-L257 WeakPolarHBondContact O-CB 3.19Å; I253-L257 VanDerWaalsContact O-CG 3.24Å; I253-L257 WeakPolarHBondContact O-CG 3.22Å; I253-L257 PolarHBondContact O-N 3.29Å; E254-L257 WeakPolarHBondContact O-CB 3.3Å; E254-L257 PolarHBondContact O-N 2.93Å; E254-L257 VanDerWaalsContact O-N 3.16Å; L257-Q261 CarbonylContact O-C 3.56Å; L257-Q261 PolarHBondContact O-N 2.93Å; L257-L262 HydrophobicContact CD2-CB 3.89Å; L257-L262 HydrophobicContact CD2-CD1 4.17Å; L257-L262 PolarHBondContact O-N 3.24Å
258D69.1Low63.2Low119 Ų11999.5 Ų99.564%0.63653%0.529SS*.Hα-helixtrans-69.6-45.8173.8-80.8-13.7000111.9E254 Q255 A256 L260 Q261E254-D258 PolarHBondContact O-N 3.26Å; Q255-D258 PolarHBondContact O-N 3.38Å; A256-D258 VanDerWaalsContact C-N 3.32Å; D258-L260 VanDerWaalsContact C-N 3.27Å; D258-L260 PolarHBondContact O-N 3.14Å; D258-Q261 PolarHBondContact O-N 2.91Å
259C69.5Low61.9Low105 Ų10598.2 Ų98.271%0.70953%0.528SS*.Hα-helixtrans-61.2-36175.4-74.10000112.3Q255 A256 Q261Q255-C259 WeakPolarHBondContact O-CB 3.3Å; Q255-C259 PolarHBondContact O-N 2.7Å; Q255-C259 PolarHBondContact O-SG 2.9Å; A256-C259 PolarHBondContact O-N 2.97Å; C259-Q261 VanDerWaalsContact C-N 3.3Å
260L67.4Low60.5Low85 Ų8596.7 Ų96.745%0.44552%0.524SS..THydrogen-bonded Turntrans-85.2-1.1176.7-64.8170.1000112.9A256 D258 L262A256-L260 VanDerWaalsContact O-CB 3.23Å; A256-L260 WeakPolarHBondContact O-CB 3.44Å; A256-L260 WeakPolarHBondContact O-CD1 3.48Å; A256-L260 WeakPolarHBondContact O-CG 3.46Å; A256-L260 PolarHBondContact O-N 2.86Å; D258-L260 VanDerWaalsContact C-N 3.27Å; D258-L260 PolarHBondContact O-N 3.14Å; L260-L262 HydrophobicContact CB-CD1 3.72Å; L260-L262 HydrophobicContact CB-CG 3.74Å; L260-L262 HydrophobicContact CD1-CD1 3.88Å; L260-L262 HydrophobicContact CG-CD1 4.45Å; L260-L262 PolarHBondContact O-N 3.45Å
261Q62.7Low59.1Low123 Ų123100 Ų10058%0.57554%0.544SS*.THydrogen-bonded Turntrans5518.8-175.4-59-177.1-13.700114.6L257 D258 C259 G263 K264L257-Q261 CarbonylContact O-C 3.56Å; L257-Q261 PolarHBondContact O-N 2.93Å; D258-Q261 PolarHBondContact O-N 2.91Å; C259-Q261 VanDerWaalsContact C-N 3.3Å; Q261-G263 VanDerWaalsContact C-N 3.26Å; Q261-G263 PolarHBondContact O-N 2.96Å; Q261-K264 PolarHBondContact O-N 3.45Å
262L61.1Low57.6Low83 Ų83101.2 Ų101.244%0.43555%0.545SS..G310 helixtrans-75.1-15.9-178.2-65.9172.8000112.6L257 L260 K264 L265L257-L262 HydrophobicContact CD2-CB 3.89Å; L257-L262 HydrophobicContact CD2-CD1 4.17Å; L257-L262 PolarHBondContact O-N 3.24Å; L260-L262 HydrophobicContact CB-CD1 3.72Å; L260-L262 HydrophobicContact CB-CG 3.74Å; L260-L262 HydrophobicContact CD1-CD1 3.88Å; L260-L262 HydrophobicContact CG-CD1 4.45Å; L260-L262 PolarHBondContact O-N 3.45Å; L262-K264 PolarHBondContact O-N 3.49Å; L262-K264 VanDerWaalsContact O-N 3.16Å; L262-L265 PolarHBondContact O-N 2.92Å
263G50.5Low55.9Low61 Ų61106.8 Ų106.863%0.62956%0.56SS**G310 helixtrans-65.8-8.3172.800000114.5Q261Q261-G263 VanDerWaalsContact C-N 3.26Å; Q261-G263 PolarHBondContact O-N 2.96Å
264K49Very low54.1Low177 Ų177107.5 Ų107.577%0.7758%0.581SS**G310 helixtrans-116.137.1177.9-64-177-1781770112.9Q261 L262 V266Q261-K264 PolarHBondContact O-N 3.45Å; L262-K264 PolarHBondContact O-N 3.49Å; L262-K264 VanDerWaalsContact O-N 3.16Å; K264-V266 PolarHBondContact O-N 2.62Å
265L43.6Very low52.2Low87 Ų87109.5 Ų109.546%0.45559%0.59SS.*  trans-67.381.9161.1-69.6176.7000108.3L262 Y267L262-L265 PolarHBondContact O-N 2.92Å; L265-Y267 PolarHBondContact O-N 3.46Å
266V44Very low50.4Low110 Ų110111 Ų11167%0.66759%0.591SS**  trans-64.893.2165.2179.70000104.9K264K264-V266 PolarHBondContact O-N 2.62Å
267Y47.2Very low48.6Very low170 Ų170114.8 Ų114.867%0.66761%0.61SS**  trans-52.5129153.9-72.4-85.6000105.6L265 P269L265-Y267 PolarHBondContact O-N 3.46Å; Y267-P269 VanDerWaalsContact O-N 3.15Å
268P48.6Very low46.8Very low62 Ų62117.5 Ų117.540%0.40363%0.625SS.*  trans-49.8132.3170.324.5-34000106.2M270P268-M270 PolarHBondContact O-N 3.04Å
269P39.8Very low45.2Very low102 Ų102115.6 Ų115.666%0.66263%0.625SS**  trans-52.7112.3179.121.1-30.7000106Y267 T271Y267-P269 VanDerWaalsContact O-N 3.15Å; P269-T271 PolarHBondContact O-N 3.49Å
270M40.4Very low43.6Very low105 Ų105118.9 Ų118.952%0.51763%0.63SS.*  trans-64.197.8169.9-139-167.4-79.800102R130 P268 W272R130-M270 PolarHBondContact NH2-SD 3.07Å; P268-M270 PolarHBondContact O-N 3.04Å; M270-W272 PolarHBondContact O-N 3.39Å; M270-W272 PolarHBondContact SD-NE1 3.48Å
271T40.3Very low42.2Very low115 Ų115123.3 Ų123.371%0.70665%0.646SS**  trans-70.862.417742.70000108P269 F273P269-T271 PolarHBondContact O-N 3.49Å; T271-F273 PolarHBondContact O-N 3Å; T271-F273 VanDerWaalsContact O-N 3.13Å
272W41.3Very low41Very low156 Ų156122.3 Ų122.359%0.59165%0.651SS**  trans-72.294.2152-75.889000104.8R130 L134 M270 G274R130-W272 VanDerWaalsContact NH2-NE1 3.19Å; L134-W272 HydrophobicContact CD2-CH2 3.33Å; L134-W272 HydrophobicContact CD2-CZ2 3.74Å; L134-W272 HydrophobicContact CD2-CZ3 4.3Å; M270-W272 PolarHBondContact O-N 3.39Å; M270-W272 PolarHBondContact SD-NE1 3.48Å; W272-G274 VanDerWaalsContact C-N 3.32Å; W272-G274 PolarHBondContact O-N 2.76Å
273F36.1Very low39.7Very low171 Ų171126.2 Ų126.275%0.7567%0.672SS**  trans-49.9106.1159.2-103-94.6000107T271 H275T271-F273 PolarHBondContact O-N 3Å; T271-F273 VanDerWaalsContact O-N 3.13Å; F273-H275 PolarHBondContact O-N 3.13Å
274G33.7Very low39.2Very low71 Ų71133.3 Ų133.373%0.73269%0.686SS**SBendtrans-68.171.3163.300000108.7W272W272-G274 VanDerWaalsContact C-N 3.32Å; W272-G274 PolarHBondContact O-N 2.76Å
275H32.9Very low38.9Very low150 Ų150129.9 Ų129.969%0.69468%0.679SS**  trans-158.272.4169.2-79.4-82000107.3F273F273-H275 PolarHBondContact O-N 3.13Å
276Y35.3Very low38.6Very low163 Ų163135.4 Ų135.464%0.63969%0.694SS**  trans-13969.1151.8-128.8-84000107.8D278 F281Y276-D278 VanDerWaalsContact CE1-O 3.23Å; Y276-D278 WeakPolarHBondContact CE1-O 3.2Å; Y276-F281 PolarHBondContact OH-N 3.4Å
277V37Very low38.4Very low123 Ų123135.1 Ų135.175%0.74570%0.697SS**  trans-75.5127.4149.6-170.30000104.3
278D33.8Very low38.2Very low130 Ų130136.3 Ų136.370%0.69570%0.701SS**SBendtrans71.2114.7171.5-62.2-38.3000119.5Y276Y276-D278 VanDerWaalsContact CE1-O 3.23Å; Y276-D278 WeakPolarHBondContact CE1-O 3.2Å
279A36.2Very low38.1Very low78 Ų78138.1 Ų138.165%0.64572%0.722SS**  35128.4129.300000119.7
280H35.7Very low37.9Very low175 Ų175141.9 Ų141.981%0.8173%0.73SS**  trans63.1101.3159.1-80.7-113.2000116.9
281F36.2Very low38Very low177 Ų177142.7 Ų142.778%0.77675%0.745SS**  trans-165.7135.4130-131.3-111.3000114.4Y276Y276-F281 PolarHBondContact OH-N 3.4Å
282C37.9Very low38.3Very low102 Ų102146.6 Ų146.669%0.68978%0.777SS**  trans65.392156-850000121.7
283L35.3Very low38.1Very low165 Ų165146.1 Ų146.186%0.86479%0.786SS**  trans-33.6128.2131-68.8150.9000112.3
284F39.5Very low38.2Very low210 Ų210144.8 Ų144.892%0.92179%0.788SS**  trans-118.3117.2153.2-158.7-99.1000108.5
285V43.1Very low38.5Very low105 Ų105148.9 Ų148.964%0.63679%0.791SS**  trans-77.3119-173.1172.80000109S287V285-S287 VanDerWaalsContact C-N 3.32Å; V285-S287 PolarHBondContact O-N 2.89Å
286R37.3Very low38.8Very low204 Ų204148.8 Ų148.877%0.7780%0.797SS**  trans-80.783.5162.8-157.7171.5-174.9165.20.3107Y288R286-Y288 PolarHBondContact O-N 2.84Å
287S39.9Very low39Very low103 Ų103147.9 Ų147.972%0.7281%0.807SS**  trans-79.4105.7173.8-160.20000108.7V285V285-S287 VanDerWaalsContact C-N 3.32Å; V285-S287 PolarHBondContact O-N 2.89Å
288Y42.5Very low39.2Very low195 Ų195149.6 Ų149.677%0.76581%0.811SS**  trans-61131.7157.4-96-102.7000109R286R286-Y288 PolarHBondContact O-N 2.84Å
289A46.8Very low39.6Very low101 Ų101151 Ų15184%0.83582%0.819SS**  trans-133.290.2161.200000107.9
290H35.7Very low39.8Very low180 Ų180156.6 Ų156.683%0.83383%0.832SS**  trans-117.2107.7161.6-123.1-33.6000105.9
291C40.8Very low40.1Very low122 Ų122155.1 Ų155.182%0.82483%0.834SS**  trans177.1127.4141.6-112.40000111.4
292S46.9Very low40.5Very low197 Ų197153.1 Ų153.1100%1.37884%0.84SS**  trans77.70170.5-520000117.5

Retrieved 292 of 292 residues in 260.3 ms (Link to these results)

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