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Proenkephalin-B

Dynorphin peptides differentially regulate the kappa opioid receptor. Dynorphin A(1-13) has a typical opioid activity, it is 700 times more potent than Leu-enkephalin. Leu-enkephalins compete with and mimic the effects of opiate drugs. They play a role in a number of physiologic functions, including pain perception and responses to stress. Leumorphin has a typical opioid activity and may have anti-apoptotic effect.

AlphaFold DB (A0A2K5Y0M2), UniProt , Accession A0A096NV66, Species PAPAN (Papio anubis, Olive baboon), Gene PDYN, Length 253 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
1M60Low71.5Confident210 Ų210108.6 Ų108.6100%1.03460%0.6SS**  0-30.50-64.2-62.6-177.500113.3
2T64.9Low70.8Confident117 Ų117110 Ų11072%0.71861%0.605SS**Hα-helixtrans-77.8-23.3-17750.10000115.3G5 L6T2-G5 PolarHBondContact O-N 3.45Å; T2-L6 PolarHBondContact O-N 3.29Å
3W67.9Low69.9Low209 Ų209113.1 Ų113.179%0.79262%0.619SS**Hα-helixtrans-70.5-34.5179.6-106.526.8000114.1G5 L6 V7W3-G5 VanDerWaalsContact C-N 3.33Å; W3-G5 PolarHBondContact O-N 2.98Å; W3-L6 PolarHBondContact O-N 2.92Å; W3-V7 WeakPolarHBondContact O-CG2 3.27Å; W3-V7 PolarHBondContact O-N 3.48Å
4Q76.1Confident69Low139 Ų139113.5 Ų113.565%0.6563%0.626SS**Hα-helixtrans-66.4-36.8176.4-73.6178.3-33.400111.8V7 L8Q4-V7 PolarHBondContact O-N 2.87Å; Q4-L8 WeakPolarHBondContact O-CB 3.24Å; Q4-L8 VanDerWaalsContact O-CG 3.32Å; Q4-L8 WeakPolarHBondContact O-CG 3.43Å; Q4-L8 PolarHBondContact O-N 3.28Å
5G77.2Confident67.8Low44 Ų44115.7 Ų115.745%0.45463%0.627SS.*Hα-helixtrans-65.4-38.6174.100000112.9T2 W3 A9T2-G5 PolarHBondContact O-N 3.45Å; W3-G5 VanDerWaalsContact C-N 3.33Å; W3-G5 PolarHBondContact O-N 2.98Å; G5-A9 VanDerWaalsContact O-CB 3.27Å; G5-A9 WeakPolarHBondContact O-CB 3.33Å; G5-A9 PolarHBondContact O-N 3.28Å
6L77.5Confident66.9Low114 Ų114114.1 Ų114.160%0.59762%0.624SS**Hα-helixtrans-67.8-40175.5-95.8161.6000112.6T2 W3 A9 A10T2-L6 PolarHBondContact O-N 3.29Å; W3-L6 PolarHBondContact O-N 2.92Å; L6-A9 PolarHBondContact O-N 3.38Å; L6-A10 VanDerWaalsContact O-CB 3.28Å; L6-A10 WeakPolarHBondContact O-CB 3.28Å; L6-A10 PolarHBondContact O-N 3.48Å
7V80Confident65.7Low87 Ų87113.2 Ų113.253%0.52763%0.628SS.*Hα-helixtrans-67.6-42.3176.3173.30000110.9W3 Q4 A10 C11W3-V7 WeakPolarHBondContact O-CG2 3.27Å; W3-V7 PolarHBondContact O-N 3.48Å; Q4-V7 PolarHBondContact O-N 2.87Å; V7-A10 PolarHBondContact O-N 3.24Å; V7-C11 WeakPolarHBondContact O-CB 3.38Å; V7-C11 PolarHBondContact O-N 2.83Å; V7-C11 PolarHBondContact O-SG 3.23Å
8L73.9Confident65.1Low115 Ų115109.3 Ų109.360%0.60261%0.614SS**Hα-helixtrans-65.9-40.1175.7-72.6170.1000112Q4 C11 L12Q4-L8 WeakPolarHBondContact O-CB 3.24Å; Q4-L8 VanDerWaalsContact O-CG 3.32Å; Q4-L8 WeakPolarHBondContact O-CG 3.43Å; Q4-L8 PolarHBondContact O-N 3.28Å; L8-C11 PolarHBondContact O-N 3.48Å; L8-L12 WeakPolarHBondContact O-CB 3.43Å; L8-L12 VanDerWaalsContact O-CG 3.24Å; L8-L12 WeakPolarHBondContact O-CG 3.32Å; L8-L12 PolarHBondContact O-N 2.91Å
9A73.8Confident64.5Low47 Ų47107.6 Ų107.639%0.38861%0.606SS.*Hα-helixtrans-64.9-41.4174.200000111.9G5 L6 L12 L13G5-A9 VanDerWaalsContact O-CB 3.27Å; G5-A9 WeakPolarHBondContact O-CB 3.33Å; G5-A9 PolarHBondContact O-N 3.28Å; L6-A9 PolarHBondContact O-N 3.38Å; A9-L12 PolarHBondContact O-N 2.97Å; A9-L13 VanDerWaalsContact O-CG 3.24Å; A9-L13 WeakPolarHBondContact O-CG 3.26Å; A9-L13 PolarHBondContact O-N 3.04Å
10A70.9Confident64Low51 Ų51105.8 Ų105.842%0.42161%0.605SS.*Hα-helixtrans-65-41.1174.300000111.9L6 V7 L12 L13 V14L6-A10 VanDerWaalsContact O-CB 3.28Å; L6-A10 WeakPolarHBondContact O-CB 3.28Å; L6-A10 PolarHBondContact O-N 3.48Å; V7-A10 PolarHBondContact O-N 3.24Å; A10-L12 PolarHBondContact O-N 3.05Å; A10-L13 PolarHBondContact O-N 3.5Å; A10-V14 VanDerWaalsContact O-CG2 3.26Å; A10-V14 WeakPolarHBondContact O-CG2 3.24Å; A10-V14 PolarHBondContact O-N 3.42Å
11C64.1Low64.6Low62 Ų62104.4 Ų104.442%0.41960%0.596SS.*Hα-helixtrans-62.9-41174.2-750000112V7 L8 L13 V14 F15V7-C11 WeakPolarHBondContact O-CB 3.38Å; V7-C11 PolarHBondContact O-N 2.83Å; V7-C11 PolarHBondContact O-SG 3.23Å; L8-C11 PolarHBondContact O-N 3.48Å; C11-L13 VanDerWaalsContact C-N 3.28Å; C11-L13 PolarHBondContact O-N 3.36Å; C11-V14 PolarHBondContact O-N 3.36Å; C11-F15 WeakPolarHBondContact O-CD2 3.33Å; C11-F15 PolarHBondContact O-N 3.29Å
12L62.9Low65.7Low125 Ų12594.7 Ų94.765%0.65455%0.548SS*.Hα-helixtrans-66.8-26.7175.8-70.6173.2000113.6L8 A9 A10 F15L8-L12 WeakPolarHBondContact O-CB 3.43Å; L8-L12 VanDerWaalsContact O-CG 3.24Å; L8-L12 WeakPolarHBondContact O-CG 3.32Å; L8-L12 PolarHBondContact O-N 2.91Å; A9-L12 PolarHBondContact O-N 2.97Å; A10-L12 PolarHBondContact O-N 3.05Å; L12-F15 HydrophobicContact CD2-CD2 4.26Å
13L59.5Low66.6Low150 Ų15094 Ų9479%0.78554%0.54SS*.Hα-helixtrans-83.9-18.5173.7-67.7169000113.4A9 A10 C11A9-L13 VanDerWaalsContact O-CG 3.24Å; A9-L13 WeakPolarHBondContact O-CG 3.26Å; A9-L13 PolarHBondContact O-N 3.04Å; A10-L13 PolarHBondContact O-N 3.5Å; C11-L13 VanDerWaalsContact C-N 3.28Å; C11-L13 PolarHBondContact O-N 3.36Å
14V57.8Low67.3Low119 Ų11986.7 Ų86.772%0.72152%0.52SS*.Hα-helixtrans-90.8-16.7174.5174.70000111.8A10 C11 P16A10-V14 VanDerWaalsContact O-CG2 3.26Å; A10-V14 WeakPolarHBondContact O-CG2 3.24Å; A10-V14 PolarHBondContact O-N 3.42Å; C11-V14 PolarHBondContact O-N 3.36Å; V14-P16 WeakPolarHBondContact O-CD 3.39Å; V14-P16 VanDerWaalsContact O-N 3.13Å
15F50.2Low67.8Low146 Ų14686.1 Ų86.164%0.6451%0.512SS*.SBendtrans-63.7114.5165.1-81.3-72.1000108.2C11 L12 S17C11-F15 WeakPolarHBondContact O-CD2 3.33Å; C11-F15 PolarHBondContact O-N 3.29Å; L12-F15 HydrophobicContact CD2-CD2 4.26Å; F15-S17 PolarHBondContact O-N 2.93Å
16P53.4Low68.2Low90 Ų9084 Ų8458%0.58449%0.491SS*.  trans-65.8132-164.725.9-32.3000108.6V14 A18V14-P16 WeakPolarHBondContact O-CD 3.39Å; V14-P16 VanDerWaalsContact O-N 3.13Å; P16-A18 HydrophobicContact CB-CB 3.92Å; P16-A18 HydrophobicContact CG-CB 4.22Å; P16-A18 PolarHBondContact O-N 3.42Å
17S46.3Very low68.8Low99 Ų9981.2 Ų81.269%0.69248%0.481SS*.THydrogen-bonded Turntrans-60.632.4158.456.10000112.4F15 T19F15-S17 PolarHBondContact O-N 2.93Å; S17-T19 PolarHBondContact O-N 3.26Å
18A54.8Low69.1Low44 Ų4481.2 Ų81.236%0.36448%0.477SS..THydrogen-bonded Turntrans-73.9-18177.700000111.9P16 A20 D21 C22P16-A18 HydrophobicContact CB-CB 3.92Å; P16-A18 HydrophobicContact CG-CB 4.22Å; P16-A18 PolarHBondContact O-N 3.42Å; A18-A20 VanDerWaalsContact C-N 3.27Å; A18-A20 PolarHBondContact O-N 3.49Å; A18-D21 PolarHBondContact O-N 3.13Å; A18-C22 PolarHBondContact O-N 2.89Å; A18-C22 VanDerWaalsContact O-N 3.17Å; A18-C22 PolarHBondContact O-SG 3.47Å
19T54.6Low69.7Low77 Ų7775.9 Ų75.947%0.47245%0.449SS..Hα-helixtrans-66-30.6179.660.30000112.5S17 Q50S17-T19 PolarHBondContact O-N 3.26Å; T19-Q50 HydrophobicContact CG2-CG 4.21Å
20A55Low70.5Confident70 Ų7074.2 Ų74.258%0.57944%0.436SS*.Hα-helixtrans-72.7-30.4177.700000112.5A18A18-A20 VanDerWaalsContact C-N 3.27Å; A18-A20 PolarHBondContact O-N 3.49Å
21D75.1Confident71.3Confident78 Ų7876.1 Ų76.142%0.41744%0.442SS..Hα-helixtrans-84.6-21.2179.3-67.5-29.4000112.7A18 S24 R25A18-D21 PolarHBondContact O-N 3.13Å; D21-S24 PolarHBondContact O-OG 2.91Å; D21-R25 VanDerWaalsContact O-CB 3.23Å; D21-R25 WeakPolarHBondContact O-CB 3.32Å; D21-R25 WeakPolarHBondContact O-CD 3.4Å; D21-R25 WeakPolarHBondContact O-CG 3.41Å; D21-R25 PolarHBondContact O-N 3.25Å
22C83.6Confident72.2Confident5 Ų578 Ų783%0.03444%0.443CS..Hα-helixtrans-61.8-48.8178.3-72.40000112.3A18 S24 R25 C26 C49A18-C22 PolarHBondContact O-N 2.89Å; A18-C22 VanDerWaalsContact O-N 3.17Å; A18-C22 PolarHBondContact O-SG 3.47Å; C22-S24 PolarHBondContact O-N 2.88Å; C22-R25 PolarHBondContact O-N 3.04Å; C22-C26 VanDerWaalsContact O-CB 3.23Å; C22-C26 WeakPolarHBondContact O-CB 3.05Å; C22-C26 PolarHBondContact O-N 3.4Å; C22-C26 PolarHBondContact O-SG 3.46Å; C22-C49 VanDerWaalsContact CA-SG 3.53Å; C22-C49 HydrophobicContact CB-CB 3.51Å; C22-C49 WeakPolarHBondContact CB-SG 3.39Å; C22-C49 WeakPolarHBondContact SG-CB 3.36Å; C22-C49 CovalentContact SG-SG 2.02Å; C22-C49 PolarHBondContact SG-SG 2.88Å
23L83.8Confident73.1Confident103 Ų10372.6 Ų72.654%0.53942%0.415SS..Hα-helixtrans-64.4-43-177.5-76.1167.9000111.9S27 S46L23-S27 WeakPolarHBondContact O-CB 3.35Å; L23-S27 PolarHBondContact O-N 2.95Å; L23-S27 PolarHBondContact O-OG 3.02Å; L23-S46 VanDerWaalsContact CD2-CB 3.42Å
24S83.8Confident74.1Confident55 Ų5571.6 Ų71.639%0.38541%0.407SS..Hα-helixtrans-66.4-45.8178.962.10000111.3D21 C22 S27 L28D21-S24 PolarHBondContact O-OG 2.91Å; C22-S24 PolarHBondContact O-N 2.88Å; S24-S27 PolarHBondContact O-N 3.2Å; S24-S27 PolarHBondContact O-OG 3.41Å; S24-L28 PolarHBondContact O-N 3.47Å; S24-L28 VanDerWaalsContact O-N 3.11Å
25R85Confident75Confident127 Ų12773.1 Ų73.148%0.47941%0.411SS..Hα-helixtrans-61.5-45.2175.8-72.7175.2-173.2-161.25.1112.7D21 C22 S27 L28 C29 L66D21-R25 VanDerWaalsContact O-CB 3.23Å; D21-R25 WeakPolarHBondContact O-CB 3.32Å; D21-R25 WeakPolarHBondContact O-CD 3.4Å; D21-R25 WeakPolarHBondContact O-CG 3.41Å; D21-R25 PolarHBondContact O-N 3.25Å; C22-R25 PolarHBondContact O-N 3.04Å; R25-S27 PolarHBondContact O-N 3.48Å; R25-L28 WeakPolarHBondContact O-CB 2.99Å; R25-L28 PolarHBondContact O-N 2.86Å; R25-C29 PolarHBondContact O-N 3.2Å; R25-C29 VanDerWaalsContact O-N 3.13Å; R25-L66 HydrophobicContact CB-CD1 3.81Å; R25-L66 HydrophobicContact CG-CD1 4.25Å
26C86.9Confident76.3Confident0 Ų067.4 Ų67.40%039%0.393CS..Hα-helixtrans-66.5-36.3177.5-74.40000112.9C22 L28 C29 A30 C45 S46 W59C22-C26 VanDerWaalsContact O-CB 3.23Å; C22-C26 WeakPolarHBondContact O-CB 3.05Å; C22-C26 PolarHBondContact O-N 3.4Å; C22-C26 PolarHBondContact O-SG 3.46Å; C26-L28 VanDerWaalsContact C-N 3.35Å; C26-C29 PolarHBondContact O-N 3.33Å; C26-A30 WeakPolarHBondContact O-CB 3.23Å; C26-A30 PolarHBondContact O-N 3.32Å; C26-C45 VanDerWaalsContact CA-SG 3.53Å; C26-C45 HydrophobicContact CB-CB 3.65Å; C26-C45 WeakPolarHBondContact CB-SG 3.49Å; C26-C45 WeakPolarHBondContact SG-CB 3.23Å; C26-C45 PolarHBondContact SG-O 3.27Å; C26-C45 CovalentContact SG-SG 2.04Å; C26-C45 PolarHBondContact SG-SG 3.25Å; C26-S46 PolarHBondContact SG-N 2.89Å; C26-S46 VanDerWaalsContact SG-N 3.41Å; C26-W59 VanDerWaalsContact SG-CZ3 3.55Å
27S88.8Confident77Confident56 Ų5669.7 Ų69.739%0.39241%0.408SS..Hα-helixtrans-66.2-36.7175.574.10000112.4L23 S24 R25 A30 V31L23-S27 WeakPolarHBondContact O-CB 3.35Å; L23-S27 PolarHBondContact O-N 2.95Å; L23-S27 PolarHBondContact O-OG 3.02Å; S24-S27 PolarHBondContact O-N 3.2Å; S24-S27 PolarHBondContact O-OG 3.41Å; R25-S27 PolarHBondContact O-N 3.48Å; S27-A30 PolarHBondContact O-N 3.19Å; S27-V31 WeakPolarHBondContact O-CG2 3.03Å; S27-V31 PolarHBondContact O-N 2.84Å
28L87.1Confident78.5Confident86 Ų8672.1 Ų72.145%0.4541%0.406SS..Hα-helixtrans-64.3-43.3174.1-80.2164.4000111.8S24 R25 C26 A30 V31 K32S24-L28 PolarHBondContact O-N 3.47Å; S24-L28 VanDerWaalsContact O-N 3.11Å; R25-L28 WeakPolarHBondContact O-CB 2.99Å; R25-L28 PolarHBondContact O-N 2.86Å; C26-L28 VanDerWaalsContact C-N 3.35Å; L28-A30 VanDerWaalsContact C-N 3.35Å; L28-V31 PolarHBondContact O-N 2.89Å; L28-K32 WeakPolarHBondContact O-CG 3.5Å; L28-K32 PolarHBondContact O-N 2.75Å
29C87.4Confident79.7Confident3 Ų374.2 Ų74.22%0.0242%0.416CS..Hα-helixtrans-61.3-43.3173.4-70.90000112R25 C26 V31 K32 T33 I40 C62 L66R25-C29 PolarHBondContact O-N 3.2Å; R25-C29 VanDerWaalsContact O-N 3.13Å; C26-C29 PolarHBondContact O-N 3.33Å; C29-V31 PolarHBondContact O-N 3.38Å; C29-K32 PolarHBondContact O-N 3.44Å; C29-T33 WeakPolarHBondContact O-CB 3.3Å; C29-T33 WeakPolarHBondContact O-CG2 3.3Å; C29-T33 PolarHBondContact O-N 2.94Å; C29-T33 PolarHBondContact O-OG1 3.36Å; C29-I40 HydrophobicContact CB-CD1 4.22Å; C29-C62 HydrophobicContact CB-CB 3.76Å; C29-C62 WeakPolarHBondContact CB-SG 3.43Å; C29-C62 WeakPolarHBondContact SG-CA 3.12Å; C29-C62 WeakPolarHBondContact SG-CB 3.23Å; C29-C62 PolarHBondContact SG-O 3.37Å; C29-C62 VanDerWaalsContact SG-O 3.34Å; C29-C62 CovalentContact SG-SG 2.03Å; C29-C62 PolarHBondContact SG-SG 3.48Å; C29-L66 VanDerWaalsContact SG-CG 3.57Å
30A88.7Confident81.1Confident12 Ų1271.1 Ų71.110%0.09940%0.396CS..Hα-helixtrans-59.6-47.4177.800000110.7C26 S27 L28 K32 T33 Q34 P42C26-A30 WeakPolarHBondContact O-CB 3.23Å; C26-A30 PolarHBondContact O-N 3.32Å; S27-A30 PolarHBondContact O-N 3.19Å; L28-A30 VanDerWaalsContact C-N 3.35Å; A30-K32 PolarHBondContact O-N 2.74Å; A30-T33 PolarHBondContact O-N 3.25Å; A30-Q34 WeakPolarHBondContact O-CG 3.49Å; A30-Q34 PolarHBondContact O-N 3.07Å; A30-P42 HydrophobicContact CB-CB 4.08Å; A30-P42 HydrophobicContact CB-CG 4.2Å
31V87.6Confident82.6Confident92 Ų9271.2 Ų71.256%0.55839%0.387SS*.Hα-helixtrans-62.4-42.1178.3175.40000112.5S27 L28 C29S27-V31 WeakPolarHBondContact O-CG2 3.03Å; S27-V31 PolarHBondContact O-N 2.84Å; L28-V31 PolarHBondContact O-N 2.89Å; C29-V31 PolarHBondContact O-N 3.38Å
32K82.9Confident83.1Confident100 Ų10070 Ų7044%0.43538%0.383SS..Hα-helixtrans-75.1-23-178.9-72.7-174.3179.4-178.70114.2L28 C29 A30 F69L28-K32 WeakPolarHBondContact O-CG 3.5Å; L28-K32 PolarHBondContact O-N 2.75Å; C29-K32 PolarHBondContact O-N 3.44Å; A30-K32 PolarHBondContact O-N 2.74Å; K32-F69 HydrophobicContact CD-CD2 3.75Å; K32-F69 HydrophobicContact CD-CE2 3.76Å; K32-F69 HydrophobicContact CD-CG 4.22Å; K32-F69 HydrophobicContact CD-CZ 4.16Å
33T83.5Confident83.1Confident12 Ų1275.2 Ų75.27%0.07441%0.411CS..Hα-helixtrans-101.43-178.659.70000113.5C29 A30 D35 G36 I40 F65C29-T33 WeakPolarHBondContact O-CB 3.3Å; C29-T33 WeakPolarHBondContact O-CG2 3.3Å; C29-T33 PolarHBondContact O-N 2.94Å; C29-T33 PolarHBondContact O-OG1 3.36Å; A30-T33 PolarHBondContact O-N 3.25Å; T33-D35 VanDerWaalsContact C-N 3.25Å; T33-D35 PolarHBondContact O-N 3.18Å; T33-G36 PolarHBondContact O-N 2.75Å; T33-G36 VanDerWaalsContact O-N 3.1Å; T33-I40 HydrophobicContact CG2-CD1 3.95Å; T33-I40 HydrophobicContact CG2-CG1 4.32Å; T33-I40 PolarHBondContact OG1-N 3.03Å; T33-F65 HydrophobicContact CG2-CD2 4.01Å; T33-F65 HydrophobicContact CG2-CE2 3.95Å; T33-F65 HydrophobicContact CG2-CZ 4.42Å
34Q79.3Confident83.2Confident130 Ų13073.5 Ų73.561%0.60740%0.401SS*.THydrogen-bonded Turntrans-59.7-35.5178.9-61.5-158.740.400112.9A30 G36A30-Q34 WeakPolarHBondContact O-CG 3.49Å; A30-Q34 PolarHBondContact O-N 3.07Å; Q34-G36 VanDerWaalsContact C-N 3.32Å
35D77Confident83.2Confident150 Ų15070.9 Ų70.980%0.80238%0.383SS*.THydrogen-bonded Turntrans-88.80.6-179-60.5-44.1000113.1T33T33-D35 VanDerWaalsContact C-N 3.25Å; T33-D35 PolarHBondContact O-N 3.18Å
36G78.1Confident83.3Confident27 Ų2765.5 Ų65.528%0.27836%0.364SS..SBendtrans-91.8167.9-178.400000113.8T33 Q34 K38T33-G36 PolarHBondContact O-N 2.75Å; T33-G36 VanDerWaalsContact O-N 3.1Å; Q34-G36 VanDerWaalsContact C-N 3.32Å; G36-K38 PolarHBondContact O-N 3.47Å; G36-K38 VanDerWaalsContact O-N 3.17Å
37P68.3Low83.1Confident137 Ų13770.8 Ų70.889%0.8939%0.392SS*.SBendtrans-67.9-15.4-177.227-34.9000114.3
38K76.4Confident82.8Confident151 Ų15169.6 Ų69.666%0.65738%0.381SS*.SBendtrans-141.291.5177.7-66.5-175.5-177.8179.20110G36G36-K38 PolarHBondContact O-N 3.47Å; G36-K38 VanDerWaalsContact O-N 3.17Å
39P81.3Confident82.5Confident87 Ų8766.9 Ų66.957%0.56537%0.368SS*.PPolyproline II helixtrans-69.8135.3178.728.5-34.1000110.7
40I82.9Confident82.1Confident13 Ų1372.8 Ų72.87%0.06740%0.395CS..PPolyproline II helixtrans-80.8129.9-179.8-61.3172.6000109.3C29 T33 C45 R61 C62 F65C29-I40 HydrophobicContact CB-CD1 4.22Å; T33-I40 HydrophobicContact CG2-CD1 3.95Å; T33-I40 HydrophobicContact CG2-CG1 4.32Å; T33-I40 PolarHBondContact OG1-N 3.03Å; I40-C45 HydrophobicContact CG2-CB 4.06Å; I40-R61 HydrophobicContact CD1-CB 4.29Å; I40-C62 HydrophobicContact CD1-CB 3.99Å; I40-F65 HydrophobicContact CD1-CD2 4.13Å; I40-F65 HydrophobicContact CD1-CE2 4.37Å
41N86.4Confident81.3Confident71 Ų7174.5 Ų74.538%0.3841%0.41SS..PPolyproline II helixtrans-81119.4176.2-167.8-44.6000110.1L43 I44 C45N41-L43 PolarHBondContact O-N 3.11Å; N41-L43 PolarHBondContact OD1-N 3.01Å; N41-L43 VanDerWaalsContact OD1-N 3.13Å; N41-I44 HydrophobicContact CB-CB 4.17Å; N41-I44 HydrophobicContact CB-CD1 3.8Å; N41-I44 HydrophobicContact CB-CG1 3.97Å; N41-I44 PolarHBondContact O-N 3.34Å; N41-C45 WeakPolarHBondContact O-CB 3.2Å; N41-C45 PolarHBondContact O-N 3.49Å
42P85.9Confident80Confident52 Ų5274.4 Ų74.434%0.33842%0.419SS..Hα-helixtrans-64.6-29.1-17425.8-34.4000112.9A30 S46A30-P42 HydrophobicContact CB-CB 4.08Å; A30-P42 HydrophobicContact CB-CG 4.2Å; P42-S46 VanDerWaalsContact O-CB 3.3Å; P42-S46 WeakPolarHBondContact O-CB 3Å; P42-S46 PolarHBondContact O-N 3.17Å; P42-S46 PolarHBondContact O-OG 3.3Å
43L84.2Confident78.6Confident116 Ų11677.2 Ų77.261%0.60744%0.437SS*.Hα-helixtrans-72-45.9179.4-63.2177000111N41 S46 L47N41-L43 PolarHBondContact O-N 3.11Å; N41-L43 PolarHBondContact OD1-N 3.01Å; N41-L43 VanDerWaalsContact OD1-N 3.13Å; L43-S46 PolarHBondContact O-N 2.02Å; L43-S46 PolarHBondContact O-OG 2.77Å; L43-L47 VanDerWaalsContact O-CG 3.31Å; L43-L47 WeakPolarHBondContact O-CG 3.38Å; L43-L47 PolarHBondContact O-N 2.98Å
44I85.2Confident77.2Confident66 Ų6683 Ų8334%0.33847%0.467SS..Hα-helixtrans-63.3-46.3178.6-59.8177.7000110N41 S46 L47 Q48 E58N41-I44 HydrophobicContact CB-CB 4.17Å; N41-I44 HydrophobicContact CB-CD1 3.8Å; N41-I44 HydrophobicContact CB-CG1 3.97Å; N41-I44 PolarHBondContact O-N 3.34Å; I44-S46 VanDerWaalsContact C-N 3.33Å; I44-S46 PolarHBondContact O-N 3.14Å; I44-L47 PolarHBondContact O-N 3.23Å; I44-Q48 VanDerWaalsContact O-CG 3.26Å; I44-Q48 WeakPolarHBondContact O-CG 3.5Å; I44-Q48 PolarHBondContact O-N 3.4Å; I44-E58 WeakPolarHBondContact CB-OE2 3.39Å; I44-E58 WeakPolarHBondContact CG2-OE2 3.48Å
45C85.2Confident76.1Confident0 Ų080.7 Ų80.70%046%0.463CS..Hα-helixtrans-57-43.5174177.20000112.2C26 I40 N41 Q48 C49 W59C26-C45 VanDerWaalsContact CA-SG 3.53Å; C26-C45 HydrophobicContact CB-CB 3.65Å; C26-C45 WeakPolarHBondContact CB-SG 3.49Å; C26-C45 WeakPolarHBondContact SG-CB 3.23Å; C26-C45 PolarHBondContact SG-O 3.27Å; C26-C45 CovalentContact SG-SG 2.04Å; C26-C45 PolarHBondContact SG-SG 3.25Å; I40-C45 HydrophobicContact CG2-CB 4.06Å; N41-C45 WeakPolarHBondContact O-CB 3.2Å; N41-C45 PolarHBondContact O-N 3.49Å; C45-Q48 PolarHBondContact O-N 3.05Å; C45-C49 WeakPolarHBondContact O-CB 3.12Å; C45-C49 PolarHBondContact O-N 3.38Å; C45-W59 VanDerWaalsContact SG-CE3 3.52Å
46S86.3Confident75.6Confident14 Ų1475.2 Ų75.210%0.09844%0.437CS..Hα-helixtrans-69.3-38.8-179.170.70000113.3L23 C26 P42 L43 I44 Q48 C49 Q50L23-S46 VanDerWaalsContact CD2-CB 3.42Å; C26-S46 PolarHBondContact SG-N 2.89Å; C26-S46 VanDerWaalsContact SG-N 3.41Å; P42-S46 VanDerWaalsContact O-CB 3.3Å; P42-S46 WeakPolarHBondContact O-CB 3Å; P42-S46 PolarHBondContact O-N 3.17Å; P42-S46 PolarHBondContact O-OG 3.3Å; L43-S46 PolarHBondContact O-N 2.02Å; L43-S46 PolarHBondContact O-OG 2.77Å; I44-S46 VanDerWaalsContact C-N 3.33Å; I44-S46 PolarHBondContact O-N 3.14Å; S46-Q48 VanDerWaalsContact C-N 3.28Å; S46-Q48 PolarHBondContact O-N 3.35Å; S46-C49 PolarHBondContact O-N 2.91Å; S46-Q50 WeakPolarHBondContact O-CB 2.99Å; S46-Q50 PolarHBondContact O-N 3.36Å
47L82.9Confident75.2Confident111 Ų11178.7 Ų78.758%0.58145%0.449SS*.Hα-helixtrans-65.9-35.2176.5-69.1173.7000111L43 I44 A51L43-L47 VanDerWaalsContact O-CG 3.31Å; L43-L47 WeakPolarHBondContact O-CG 3.38Å; L43-L47 PolarHBondContact O-N 2.98Å; I44-L47 PolarHBondContact O-N 3.23Å; L47-A51 WeakPolarHBondContact O-CB 3.03Å; L47-A51 PolarHBondContact O-N 3.41Å
48Q82.9Confident75.5Confident32 Ų3274.9 Ų74.915%0.1542%0.42CS..Hα-helixtrans-74.9-39.1176.6-71.1170.213.200112.9I44 C45 S46 Q50 A51 S56 W59I44-Q48 VanDerWaalsContact O-CG 3.26Å; I44-Q48 WeakPolarHBondContact O-CG 3.5Å; I44-Q48 PolarHBondContact O-N 3.4Å; C45-Q48 PolarHBondContact O-N 3.05Å; S46-Q48 VanDerWaalsContact C-N 3.28Å; S46-Q48 PolarHBondContact O-N 3.35Å; Q48-Q50 PolarHBondContact O-N 3Å; Q48-A51 CarbonylContact O-C 3.6Å; Q48-A51 PolarHBondContact O-N 3.27Å; Q48-S56 VanDerWaalsContact CD-CB 3.47Å; Q48-S56 PolarHBondContact NE2-OG 3.46Å; Q48-S56 PolarHBondContact OE1-OG 3.06Å; Q48-W59 HydrophobicContact CB-CB 4.14Å
49C80.8Confident75.6Confident28 Ų2869.6 Ų69.619%0.18940%0.396CS..Hα-helixtrans-62.8-32.5173.8-174.60000111.9C22 C45 S46 W59C22-C49 VanDerWaalsContact CA-SG 3.53Å; C22-C49 HydrophobicContact CB-CB 3.51Å; C22-C49 WeakPolarHBondContact CB-SG 3.39Å; C22-C49 WeakPolarHBondContact SG-CB 3.36Å; C22-C49 CovalentContact SG-SG 2.02Å; C22-C49 PolarHBondContact SG-SG 2.88Å; C45-C49 WeakPolarHBondContact O-CB 3.12Å; C45-C49 PolarHBondContact O-N 3.38Å; S46-C49 PolarHBondContact O-N 2.91Å; C49-W59 HydrophobicContact CB-CD2 4.12Å; C49-W59 HydrophobicContact CB-CE3 3.78Å; C49-W59 HydrophobicContact CB-CH2 3.82Å; C49-W59 HydrophobicContact CB-CZ2 4.13Å; C49-W59 HydrophobicContact CB-CZ3 3.64Å; C49-W59 WeakPolarHBondContact SG-CH2 3.4Å; C49-W59 VanDerWaalsContact SG-CZ2 3.58Å
50Q79Confident75.6Confident127 Ų12770.6 Ų70.659%0.59339%0.393SS*.Hα-helixtrans-77.8-37.2173-171.617317.300112.5T19 S46 Q48 A52T19-Q50 HydrophobicContact CG2-CG 4.21Å; S46-Q50 WeakPolarHBondContact O-CB 2.99Å; S46-Q50 PolarHBondContact O-N 3.36Å; Q48-Q50 PolarHBondContact O-N 3Å; Q50-A52 PolarHBondContact O-N 3.42Å
51A70.9Confident75.5Confident48 Ų4874.3 Ų74.340%0.39741%0.406SS..  trans-86.974175.100000110.3L47 Q48 L53 L54L47-A51 WeakPolarHBondContact O-CB 3.03Å; L47-A51 PolarHBondContact O-N 3.41Å; Q48-A51 CarbonylContact O-C 3.6Å; Q48-A51 PolarHBondContact O-N 3.27Å; A51-L53 PolarHBondContact O-N 2.69Å; A51-L54 PolarHBondContact O-N 3.21Å
52A60.3Low75.4Confident90 Ų9071 Ų7174%0.74439%0.388SS*.THydrogen-bonded Turntrans-55.88.3-179.500000116.5Q50Q50-A52 PolarHBondContact O-N 3.42Å
53L54Low75.3Confident159 Ų15973.5 Ų73.583%0.83240%0.396SS*.THydrogen-bonded Turntrans-119.7-8.4-173.9-61.8177.2000114.7A51A51-L53 PolarHBondContact O-N 2.69Å
54L53.2Low75.2Confident134 Ų13470.1 Ų70.170%0.70238%0.382SS*.  trans-133.281171.7-73.997.1000110A51 S56A51-L54 PolarHBondContact O-N 3.21Å; L54-S56 PolarHBondContact O-N 3.01Å
55P57.5Low74.9Confident81 Ų8170.4 Ų70.453%0.52638%0.38SS..  trans-63.8110.9168.527.8-31000107.1E60P55-E60 HydrophobicContact CB-CG 4.29Å
56S65.1Low74.6Confident36 Ų3671.9 Ų71.925%0.25239%0.388SS..  trans-83159.7161.997.70000108.8Q48 L54 E58 W59Q48-S56 VanDerWaalsContact CD-CB 3.47Å; Q48-S56 PolarHBondContact NE2-OG 3.46Å; Q48-S56 PolarHBondContact OE1-OG 3.06Å; L54-S56 PolarHBondContact O-N 3.01Å; S56-E58 PolarHBondContact O-N 3.31Å; S56-E58 PolarHBondContact OG-N 3.32Å; S56-E58 VanDerWaalsContact OG-N 3.09Å; S56-W59 PolarHBondContact O-N 3.5Å; S56-W59 VanDerWaalsContact O-N 3.16Å
57D71.3Confident74.3Confident100 Ų10074.6 Ų74.654%0.53541%0.407SS..Hα-helixtrans-41.5-31.2169.8-70.515.6000114.8R61D57-R61 WeakPolarHBondContact O-CB 3.43Å; D57-R61 VanDerWaalsContact O-CD 3.25Å; D57-R61 WeakPolarHBondContact O-CD 2.89Å; D57-R61 WeakPolarHBondContact O-CG 3.48Å; D57-R61 PolarHBondContact O-N 2.93Å; D57-R61 VanDerWaalsContact O-N 3.1Å; D57-R61 IonicContact OD2-CZ 3.95Å; D57-R61 IonicContact OD2-NH2 2.98Å; D57-R61 PolarHBondContact OD2-NH2 2.91Å
58E74.5Confident73.7Confident57 Ų5777.1 Ų77.127%0.26641%0.414SS..Hα-helixtrans-74-39.3-175.2-62-169.4176.800113.7I44 S56 C62I44-E58 WeakPolarHBondContact CB-OE2 3.39Å; I44-E58 WeakPolarHBondContact CG2-OE2 3.48Å; S56-E58 PolarHBondContact O-N 3.31Å; S56-E58 PolarHBondContact OG-N 3.32Å; S56-E58 VanDerWaalsContact OG-N 3.09Å; E58-C62 PolarHBondContact O-N 3.05Å
59W78.1Confident72.8Confident39 Ų3980.8 Ų80.815%0.14843%0.429CS..Hα-helixtrans-70.4-41.5177.2174.9-109.2000111.1C26 C45 Q48 C49 S56 R61 C62 Q63C26-W59 VanDerWaalsContact SG-CZ3 3.55Å; C45-W59 VanDerWaalsContact SG-CE3 3.52Å; Q48-W59 HydrophobicContact CB-CB 4.14Å; C49-W59 HydrophobicContact CB-CD2 4.12Å; C49-W59 HydrophobicContact CB-CE3 3.78Å; C49-W59 HydrophobicContact CB-CH2 3.82Å; C49-W59 HydrophobicContact CB-CZ2 4.13Å; C49-W59 HydrophobicContact CB-CZ3 3.64Å; C49-W59 WeakPolarHBondContact SG-CH2 3.4Å; C49-W59 VanDerWaalsContact SG-CZ2 3.58Å; S56-W59 PolarHBondContact O-N 3.5Å; S56-W59 VanDerWaalsContact O-N 3.16Å; W59-R61 VanDerWaalsContact C-N 3.35Å; W59-R61 PolarHBondContact O-N 3.38Å; W59-C62 CarbonylContact O-C 3.56Å; W59-C62 PolarHBondContact O-N 2.03Å; W59-Q63 VanDerWaalsContact O-CB 3.32Å; W59-Q63 WeakPolarHBondContact O-CB 3.31Å; W59-Q63 PolarHBondContact O-N 2.77Å
60E80.9Confident71.8Confident109 Ų10983.7 Ų83.751%0.50945%0.446SS..Hα-helixtrans-65.9-36.8177.2-64.7-170.2166.400112.4P55 Q63 S64P55-E60 HydrophobicContact CB-CG 4.29Å; E60-Q63 PolarHBondContact O-N 3.42Å; E60-S64 WeakPolarHBondContact O-CB 3.44Å; E60-S64 PolarHBondContact O-N 3.35Å; E60-S64 PolarHBondContact O-OG 3.4Å
61R80.8Confident70.3Confident91 Ų9182.9 Ų82.934%0.34345%0.452SS..Hα-helixtrans-61.9-48.5169.9-74.3168.6-165.5164.511.8110.8I40 D57 W59 Q63 S64 F65I40-R61 HydrophobicContact CD1-CB 4.29Å; D57-R61 WeakPolarHBondContact O-CB 3.43Å; D57-R61 VanDerWaalsContact O-CD 3.25Å; D57-R61 WeakPolarHBondContact O-CD 2.89Å; D57-R61 WeakPolarHBondContact O-CG 3.48Å; D57-R61 PolarHBondContact O-N 2.93Å; D57-R61 VanDerWaalsContact O-N 3.1Å; D57-R61 IonicContact OD2-CZ 3.95Å; D57-R61 IonicContact OD2-NH2 2.98Å; D57-R61 PolarHBondContact OD2-NH2 2.91Å; W59-R61 VanDerWaalsContact C-N 3.35Å; W59-R61 PolarHBondContact O-N 3.38Å; R61-Q63 VanDerWaalsContact C-N 3.33Å; R61-Q63 PolarHBondContact O-N 3.34Å; R61-S64 WeakPolarHBondContact CA-OG 3.23Å; R61-S64 PolarHBondContact O-N 3.13Å; R61-S64 PolarHBondContact O-OG 2.04Å; R61-F65 HydrophobicContact CB-CE2 4.34Å; R61-F65 WeakPolarHBondContact O-CD2 2.95Å; R61-F65 WeakPolarHBondContact O-CG 3.32Å; R61-F65 PolarHBondContact O-N 3.44Å
62C84.6Confident68.7Low0 Ų085.5 Ų85.50%047%0.468CS..Hα-helixtrans-61.2-41.7176.31760000112C29 I40 E58 W59 F65 L66C29-C62 HydrophobicContact CB-CB 3.76Å; C29-C62 WeakPolarHBondContact CB-SG 3.43Å; C29-C62 WeakPolarHBondContact SG-CA 3.12Å; C29-C62 WeakPolarHBondContact SG-CB 3.23Å; C29-C62 PolarHBondContact SG-O 3.37Å; C29-C62 VanDerWaalsContact SG-O 3.34Å; C29-C62 CovalentContact SG-SG 2.03Å; C29-C62 PolarHBondContact SG-SG 3.48Å; I40-C62 HydrophobicContact CD1-CB 3.99Å; E58-C62 PolarHBondContact O-N 3.05Å; W59-C62 CarbonylContact O-C 3.56Å; W59-C62 PolarHBondContact O-N 2.03Å; C62-F65 PolarHBondContact O-N 3.34Å; C62-L66 WeakPolarHBondContact O-CB 3.5Å; C62-L66 VanDerWaalsContact O-CG 3.23Å; C62-L66 WeakPolarHBondContact O-CG 2.95Å; C62-L66 PolarHBondContact O-N 3.42Å
63Q83.7Confident67.9Low106 Ų10688.4 Ų88.450%0.49548%0.476SS..Hα-helixtrans-66.1-42179.5-176.2173.9-3.800112.3W59 E60 R61 L66 S67W59-Q63 VanDerWaalsContact O-CB 3.32Å; W59-Q63 WeakPolarHBondContact O-CB 3.31Å; W59-Q63 PolarHBondContact O-N 2.77Å; E60-Q63 PolarHBondContact O-N 3.42Å; R61-Q63 VanDerWaalsContact C-N 3.33Å; R61-Q63 PolarHBondContact O-N 3.34Å; Q63-L66 PolarHBondContact O-N 3.48Å; Q63-S67 PolarHBondContact O-N 2.82Å; Q63-S67 PolarHBondContact O-OG 2.83Å
64S82.1Confident67.2Low45 Ų4589.1 Ų89.132%0.31548%0.48SS..Hα-helixtrans-63.9-45.5173.154.10000111E60 R61 L66 S67 F68E60-S64 WeakPolarHBondContact O-CB 3.44Å; E60-S64 PolarHBondContact O-N 3.35Å; E60-S64 PolarHBondContact O-OG 3.4Å; R61-S64 WeakPolarHBondContact CA-OG 3.23Å; R61-S64 PolarHBondContact O-N 3.13Å; R61-S64 PolarHBondContact O-OG 2.04Å; S64-L66 VanDerWaalsContact C-N 3.33Å; S64-L66 PolarHBondContact O-N 3.26Å; S64-S67 PolarHBondContact O-N 3.37Å; S64-S67 PolarHBondContact O-OG 3.46Å; S64-F68 WeakPolarHBondContact O-CD2 3.26Å; S64-F68 WeakPolarHBondContact O-CG 3.37Å; S64-F68 PolarHBondContact O-N 3.09Å
65F79.5Confident66.1Low71 Ų7186.2 Ų86.231%0.31148%0.483SS..Hα-helixtrans-57.5-46173.3-74.5-60.3000111.7T33 I40 R61 C62 S67 F68 F69T33-F65 HydrophobicContact CG2-CD2 4.01Å; T33-F65 HydrophobicContact CG2-CE2 3.95Å; T33-F65 HydrophobicContact CG2-CZ 4.42Å; I40-F65 HydrophobicContact CD1-CD2 4.13Å; I40-F65 HydrophobicContact CD1-CE2 4.37Å; R61-F65 HydrophobicContact CB-CE2 4.34Å; R61-F65 WeakPolarHBondContact O-CD2 2.95Å; R61-F65 WeakPolarHBondContact O-CG 3.32Å; R61-F65 PolarHBondContact O-N 3.44Å; C62-F65 PolarHBondContact O-N 3.34Å; F65-S67 PolarHBondContact O-N 3.49Å; F65-F68 PolarHBondContact O-N 2.97Å; F65-F69 HydrophobicContact CB-CD2 4.33Å; F65-F69 HydrophobicContact CB-CE2 4.34Å; F65-F69 HydrophobicContact CD1-CE2 4.24Å; F65-F69 WeakPolarHBondContact O-CB 3.38Å; F65-F69 WeakPolarHBondContact O-CD2 3.39Å; F65-F69 PolarHBondContact O-N 3.31Å
66L78.6Confident65Low31 Ų3190.2 Ų90.216%0.16250%0.499CS..Hα-helixtrans-62.3-43178.7-71.2167.9000112R25 C29 C62 Q63 S64 F68 F69 T70R25-L66 HydrophobicContact CB-CD1 3.81Å; R25-L66 HydrophobicContact CG-CD1 4.25Å; C29-L66 VanDerWaalsContact SG-CG 3.57Å; C62-L66 WeakPolarHBondContact O-CB 3.5Å; C62-L66 VanDerWaalsContact O-CG 3.23Å; C62-L66 WeakPolarHBondContact O-CG 2.95Å; C62-L66 PolarHBondContact O-N 3.42Å; Q63-L66 PolarHBondContact O-N 3.48Å; S64-L66 VanDerWaalsContact C-N 3.33Å; S64-L66 PolarHBondContact O-N 3.26Å; L66-F68 VanDerWaalsContact C-N 3.35Å; L66-F68 PolarHBondContact O-N 2.9Å; L66-F69 CarbonylContact O-C 3.43Å; L66-F69 PolarHBondContact O-N 3.47Å; L66-F69 VanDerWaalsContact O-N 3.16Å; L66-T70 PolarHBondContact O-N 3.16Å; L66-T70 PolarHBondContact O-OG1 3.36Å
67S78.8Confident63.4Low71 Ų7196 Ų9650%0.49753%0.527SS..Hα-helixtrans-65.9-35.2177.465.30000112.8Q63 S64 F65 F69Q63-S67 PolarHBondContact O-N 2.82Å; Q63-S67 PolarHBondContact O-OG 2.83Å; S64-S67 PolarHBondContact O-N 3.37Å; S64-S67 PolarHBondContact O-OG 3.46Å; F65-S67 PolarHBondContact O-N 3.49Å; S67-F69 VanDerWaalsContact C-N 3.34Å
68F71.6Confident61.4Low165 Ų16598.2 Ų98.272%0.72454%0.538SS*.Hα-helixtrans-67.5-33.6172.3-74.1-62.9000112.7S64 F65 L66S64-F68 WeakPolarHBondContact O-CD2 3.26Å; S64-F68 WeakPolarHBondContact O-CG 3.37Å; S64-F68 PolarHBondContact O-N 3.09Å; F65-F68 PolarHBondContact O-N 2.97Å; L66-F68 VanDerWaalsContact C-N 3.35Å; L66-F68 PolarHBondContact O-N 2.9Å
69F64Low59.4Low109 Ų109104.8 Ų104.848%0.47857%0.566SS.*Hα-helixtrans-88.7-16.3-179.8-74-62.7000114.4K32 F65 L66 S67 P71K32-F69 HydrophobicContact CD-CD2 3.75Å; K32-F69 HydrophobicContact CD-CE2 3.76Å; K32-F69 HydrophobicContact CD-CG 4.22Å; K32-F69 HydrophobicContact CD-CZ 4.16Å; F65-F69 HydrophobicContact CB-CD2 4.33Å; F65-F69 HydrophobicContact CB-CE2 4.34Å; F65-F69 HydrophobicContact CD1-CE2 4.24Å; F65-F69 WeakPolarHBondContact O-CB 3.38Å; F65-F69 WeakPolarHBondContact O-CD2 3.39Å; F65-F69 PolarHBondContact O-N 3.31Å; L66-F69 CarbonylContact O-C 3.43Å; L66-F69 PolarHBondContact O-N 3.47Å; L66-F69 VanDerWaalsContact O-N 3.16Å; S67-F69 VanDerWaalsContact C-N 3.34Å; F69-P71 VanDerWaalsContact C-CD 3.43Å; F69-P71 VanDerWaalsContact O-CD 3.3Å; F69-P71 WeakPolarHBondContact O-CD 2.91Å
70T58.9Low57.2Low89 Ų89106.5 Ų106.555%0.54660%0.596SS.*  trans-114.779.7174.464.30000110.1L66 S72L66-T70 PolarHBondContact O-N 3.16Å; L66-T70 PolarHBondContact O-OG1 3.36Å; T70-S72 VanDerWaalsContact C-N 3.28Å; T70-S72 PolarHBondContact O-N 2.97Å
71P47.2Very low54.7Low109 Ų109108.3 Ų108.371%0.70861%0.609SS**  trans-65.797.5161.228.1-29.8000107.7F69F69-P71 VanDerWaalsContact C-CD 3.43Å; F69-P71 VanDerWaalsContact O-CD 3.3Å; F69-P71 WeakPolarHBondContact O-CD 2.91Å
72S38.8Very low52.6Low104 Ų104111.4 Ų111.473%0.72763%0.632SS**  trans55.3100159-53.50000118.1T70T70-S72 VanDerWaalsContact C-N 3.28Å; T70-S72 PolarHBondContact O-N 2.97Å
73T43.6Very low49.9Very low150 Ų150114.7 Ų114.792%0.9267%0.666SS**  trans-113.216.5141.563.10000112.1
74L39.4Very low47.3Very low174 Ų174115.7 Ų115.791%0.91169%0.685SS**  trans-105.578.4177.4-151.4135.7000109.4
75G28.5Very low44.9Very low74 Ų74123.1 Ų123.176%0.76371%0.711SS**  trans-159.849.2178.100000110.8N77G75-N77 PolarHBondContact O-N 2.89Å
76L35.5Very low42.6Very low165 Ų165124.7 Ų124.786%0.86473%0.731SS**  trans-82.1102.6168.8-102.6166.1000108.7
77N30.2Very low40.3Very low157 Ų157129.9 Ų129.984%0.8476%0.764SS**  trans179.598.6140-95.4-35.2000110.3G75G75-N77 PolarHBondContact O-N 2.89Å
78D30Very low38.3Very low146 Ų146129.7 Ų129.778%0.78177%0.773SS**SBend147.2130113.4-143-44.8000111.9
79K32.9Very low36.4Very low195 Ų195131.1 Ų131.185%0.84878%0.782SS**  trans72114.8161.2-130156.3165.2178.10119.8
80G32.7Very low34.9Very low75 Ų75128.7 Ų128.777%0.77379%0.788SS**  trans-78.2174.6-177.800000115
81D27.8Very low34.1Very low148 Ų148129.4 Ų129.479%0.79179%0.794SS**  -169.3149.8113.1-148.1-3.5000110.9
82L35.2Very low33.8Very low155 Ų155134.2 Ų134.281%0.81280%0.799SS**  trans33.9110.4153.9-107.769.5000122.2
83G28.7Very low34.1Very low70 Ų70133.6 Ų133.672%0.72280%0.795SS**  83.4115.5112.200000119.9
84S29.3Very low34.1Very low127 Ų127133.8 Ų133.889%0.88879%0.786SS**  167.6149.2111.851.70000113.2
85K32.4Very low34.5Very low201 Ų201131.4 Ų131.487%0.87477%0.773SS**  trans-48.4146.2175.4-92.7165.5161.2173.70114.3
86S30.8Very low35.3Very low103 Ų103131.1 Ų131.172%0.7276%0.764SS**  155.9125.7106.156.20000110.3
87V29.3Very low35.9Very low140 Ų140131.5 Ų131.585%0.84876%0.758SS**  83.4115.8113.6174.70000111.8
88G37.7Very low36.9Very low68 Ų68128.6 Ų128.670%0.70174%0.742SS**  trans-71.5151.4-174.800000113.2
89E30.6Very low37.9Very low194 Ų194124.8 Ų124.891%0.90773%0.727SS**  trans-160.2141.8141.2-104.2171.3-162.700107.2
90G34.3Very low38.3Very low58 Ų58118 Ų11860%0.59871%0.713SS**  trans-70.5146.7-157.500000115.8Y92G90-Y92 PolarHBondContact O-N 3.34Å
91P41.1Very low39.2Very low105 Ų105117.5 Ų117.568%0.68270%0.697SS**THydrogen-bonded Turntrans-77.917.6-179.6-10.827.8000115.6L95P91-L95 WeakPolarHBondContact O-CD1 3.48Å
92Y41.8Very low40.3Very low209 Ų209116.2 Ų116.282%0.8269%0.685SS**Hα-helixtrans-93.7-25.1-163.7-115.8-96.4000114.6G90G90-Y92 PolarHBondContact O-N 3.34Å
93S44.3Very low41.3Very low91 Ų91113.7 Ų113.764%0.63667%0.672SS**Hα-helixtrans-89.9-20.5-172.650.10000114.8
94E43.3Very low42.4Very low155 Ų155117.8 Ų117.872%0.72467%0.67SS**Hα-helixtrans-90.6-33.5-176.1-142.4166.6-158.100112.1A96 K97E94-A96 VanDerWaalsContact C-N 3.32Å; E94-A96 PolarHBondContact O-N 2.77Å; E94-K97 PolarHBondContact O-N 3.13Å
95L48.2Very low43.2Very low123 Ų123118 Ų11864%0.64466%0.656SS**Hα-helixtrans-66.9-28.8175.8-76.2171.4000113.7P91 K97 S99P91-L95 WeakPolarHBondContact O-CD1 3.48Å; L95-K97 VanDerWaalsContact C-N 3.3Å; L95-K97 PolarHBondContact O-N 3.05Å; L95-S99 PolarHBondContact O-N 2.87Å
96A45.7Very low44.3Very low68 Ų68113.4 Ų113.456%0.56264%0.641SS**Hα-helixtrans-73.3-20.6179.700000113.4E94 S99E94-A96 VanDerWaalsContact C-N 3.32Å; E94-A96 PolarHBondContact O-N 2.77Å; A96-S99 PolarHBondContact O-OG 3.31Å; A96-S99 VanDerWaalsContact O-OG 3.09Å
97K48Very low44.9Very low174 Ų174116.6 Ų116.676%0.75764%0.644SS**Hα-helixtrans-87.6-27.9179.4-66.8178-176.9174.90112.2E94 L95E94-K97 PolarHBondContact O-N 3.13Å; L95-K97 VanDerWaalsContact C-N 3.3Å; L95-K97 PolarHBondContact O-N 3.05Å
98L50.4Low45.7Very low96 Ų96118.2 Ų118.250%0.50364%0.64SS.*Hα-helixtrans-80-17.9176.3-77.9159.2000113.1F102L98-F102 HydrophobicContact CD2-CE2 3.9Å; L98-F102 WeakPolarHBondContact O-CD2 3.43Å
99S51Low46.2Very low66 Ų66117 Ų11746%0.46262%0.621SS.*Hα-helixtrans-74.3-28.6-179.555.90000114L95 A96L95-S99 PolarHBondContact O-N 2.87Å; A96-S99 PolarHBondContact O-OG 3.31Å; A96-S99 VanDerWaalsContact O-OG 3.09Å
100G41.9Very low47.2Very low53 Ų53117.7 Ų117.755%0.54662%0.621SS.*Hα-helixtrans-74.9-29.6-174.400000115
101S51.2Low47.7Very low64 Ų64123.4 Ų123.445%0.44863%0.63SS.*Hα-helixtrans-83.1-29179.949.80000113K104S101-K104 PolarHBondContact O-N 3.23Å
102F51.3Low47.8Very low121 Ų121126.3 Ų126.353%0.53164%0.639SS.*Hα-helixtrans-83.1-25-173.4-76.8-102.2000113.9L98 K104 E105 L106L98-F102 HydrophobicContact CD2-CE2 3.9Å; L98-F102 WeakPolarHBondContact O-CD2 3.43Å; F102-K104 PolarHBondContact O-N 2.74Å; F102-E105 WeakPolarHBondContact O-CB 3.41Å; F102-E105 PolarHBondContact O-N 3.31Å; F102-L106 PolarHBondContact O-N 3.18Å
103L56Low47.6Very low102 Ų102121.5 Ų121.553%0.53463%0.633SS.*Hα-helixtrans-63.1-29.4171.4-75.5172.7000112.1E105L103-E105 VanDerWaalsContact C-N 3.31Å
104K52.1Low47.6Very low156 Ų156122.4 Ų122.468%0.67864%0.64SS**Hα-helixtrans-73.8-18.9172.2-87.2178.9173.4175.80113.9S101 F102S101-K104 PolarHBondContact O-N 3.23Å; F102-K104 PolarHBondContact O-N 2.74Å
105E46.3Very low47.4Very low131 Ų131121.2 Ų121.261%0.61264%0.637SS**Hα-helixtrans-83.3-36.6177.9-149.797-145.400111F102 L103 K108 S109F102-E105 WeakPolarHBondContact O-CB 3.41Å; F102-E105 PolarHBondContact O-N 3.31Å; L103-E105 VanDerWaalsContact C-N 3.31Å; E105-K108 WeakPolarHBondContact O-CB 2.99Å; E105-K108 PolarHBondContact O-N 3.41Å; E105-K108 VanDerWaalsContact O-N 3.14Å; E105-S109 PolarHBondContact O-N 3.48Å
106L54.2Low47.1Very low105 Ų105120.6 Ų120.655%0.5564%0.642SS.*Hα-helixtrans-68.3-31.9177-93.1162.4000113.2F102 K108 S109F102-L106 PolarHBondContact O-N 3.18Å; L106-K108 PolarHBondContact O-N 3.38Å; L106-S109 PolarHBondContact O-N 3.47Å; L106-S109 PolarHBondContact O-OG 3.16Å
107E44.4Very low47.1Very low169 Ų169121.7 Ų121.779%0.7964%0.642SS**THydrogen-bonded Turntrans-65.2-25.1172.3-166179.5-177.400112.3
108K46.1Very low47Very low174 Ų174121.3 Ų121.376%0.75764%0.643SS**THydrogen-bonded Turntrans-88.6-21.1177.3-91.1161175.9173.90114E105 L106 K110E105-K108 WeakPolarHBondContact O-CB 2.99Å; E105-K108 PolarHBondContact O-N 3.41Å; E105-K108 VanDerWaalsContact O-N 3.14Å; L106-K108 PolarHBondContact O-N 3.38Å; K108-K110 PolarHBondContact O-N 2.91Å
109S48.9Very low47.2Very low44 Ų44123.2 Ų123.231%0.30865%0.654SS.*SBendtrans-76.9108.5174.368.10000109.6E105 L106 F111E105-S109 PolarHBondContact O-N 3.48Å; L106-S109 PolarHBondContact O-N 3.47Å; L106-S109 PolarHBondContact O-OG 3.16Å; S109-F111 PolarHBondContact O-N 2.62Å
110K51.4Low47Very low208 Ų208125.2 Ų125.290%0.90466%0.663SS**  trans-64.964.4179.3-65.7176.5179.3179.30112.7K108K108-K110 PolarHBondContact O-N 2.91Å
111F43.8Very low47.3Very low177 Ų177128.9 Ų128.978%0.77667%0.67SS**  trans-106.274171.4-67.1-71.1000109.9S109S109-F111 PolarHBondContact O-N 2.62Å
112L42.5Very low47.5Very low167 Ų167128.6 Ų128.687%0.87467%0.668SS**  trans-128.2115.6158.2-68.5176.4000107.7
113P37.6Very low47.5Very low107 Ų107130.2 Ų130.270%0.69568%0.675SS**  trans-78.9116.9145.45.812.7000107I115P113-I115 PolarHBondContact O-N 3.02Å; P113-I115 VanDerWaalsContact O-N 3.11Å
114S44.4Very low47.6Very low111 Ų111129.2 Ų129.278%0.77667%0.673SS**  trans-55110.5160.451.40000109.1
115I39.1Very low47.6Very low130 Ų130127 Ų12767%0.66767%0.668SS**  trans-108.686.1164.8-61.3177.4000107P113 T117P113-I115 PolarHBondContact O-N 3.02Å; P113-I115 VanDerWaalsContact O-N 3.11Å; I115-T117 VanDerWaalsContact C-N 3.29Å; I115-T117 WeakPolarHBondContact CG2-OG1 3.03Å; I115-T117 PolarHBondContact O-N 2.98Å
116S42.8Very low48.1Very low109 Ų109127.2 Ų127.276%0.76267%0.669SS**  trans-8270.6163.256.40000109.3
117T45.8Very low48.2Very low91 Ų91129.6 Ų129.656%0.55868%0.677SS**  trans-155.866.8170.756.30000112I115I115-T117 VanDerWaalsContact C-N 3.29Å; I115-T117 WeakPolarHBondContact CG2-OG1 3.03Å; I115-T117 PolarHBondContact O-N 2.98Å
118E44.7Very low48.8Very low166 Ų166129.7 Ų129.778%0.77668%0.675SS**  trans-92.9-2.7174.2-66-163.1157.400114S122E118-S122 PolarHBondContact O-OG 3.2Å
119N54.8Low49.2Very low137 Ų137126.6 Ų126.673%0.73367%0.666SS**SBendtrans-105.31-163.4-64.3-7.6000116.2
120T47.2Very low49.3Very low107 Ų107134.7 Ų134.766%0.65669%0.69SS**SBendtrans-111.1-24.7-179.650.90000114T124T120-T124 PolarHBondContact O-OG1 3.35Å
121L47.8Very low49Very low130 Ų130127.9 Ų127.968%0.68168%0.679SS**Hα-helixtrans-90.2-22.3-177.7-67.9174.1000113.9T124L121-T124 PolarHBondContact O-OG1 2.7Å
122S56.7Low49.3Very low59 Ų59126.7 Ų126.741%0.41368%0.68SS.*Hα-helixtrans-68.4-39.6176.445.50000112.3E118 T124 L125 E126E118-S122 PolarHBondContact O-OG 3.2Å; S122-T124 PolarHBondContact O-N 3Å; S122-L125 PolarHBondContact O-N 2.95Å; S122-E126 PolarHBondContact O-N 2.91Å
123K51Low49.6Very low154 Ų154124 Ų12467%0.6767%0.674SS**Hα-helixtrans-62.9-37.7176.8-82.5-178174176.80113.5L125 E127K123-L125 VanDerWaalsContact C-N 3.3Å; K123-L125 PolarHBondContact O-N 2.85Å; K123-E127 PolarHBondContact O-N 2.86Å
124T56.8Low49.9Very low81 Ų81122.4 Ų122.450%0.49768%0.678SS.*Hα-helixtrans-71.9-26.5-178.72.80000112.5T120 L121 S122 K128T120-T124 PolarHBondContact O-OG1 3.35Å; L121-T124 PolarHBondContact O-OG1 2.7Å; S122-T124 PolarHBondContact O-N 3Å; T124-K128 PolarHBondContact O-N 2.76Å
125L52.8Low49.8Very low109 Ų109120.4 Ų120.457%0.57168%0.675SS**Hα-helixtrans-79.1-39.3177.6-130.8173.4000111.6S122 K123 E127 K128 L129S122-L125 PolarHBondContact O-N 2.95Å; K123-L125 VanDerWaalsContact C-N 3.3Å; K123-L125 PolarHBondContact O-N 2.85Å; L125-E127 VanDerWaalsContact C-N 3.34Å; L125-E127 PolarHBondContact O-N 3.42Å; L125-K128 PolarHBondContact O-N 3.47Å; L125-L129 HydrophobicContact CD2-CD1 3.99Å; L125-L129 HydrophobicContact CD2-CG 4.23Å; L125-L129 WeakPolarHBondContact O-CG 3.14Å; L125-L129 PolarHBondContact O-N 3.1Å
126E58.2Low49.6Very low136 Ų136124.5 Ų124.564%0.63669%0.688SS**Hα-helixtrans-65.8-34.8175.8-70.2-176.4177.300112.8S122 L129S122-E126 PolarHBondContact O-N 2.91Å; E126-L129 PolarHBondContact O-N 2.72Å
127E56.1Low49.1Very low155 Ų155122.2 Ų122.272%0.72468%0.682SS**Hα-helixtrans-70.3-34177.3-145.2167.1-166.700111.9K123 L125K123-E127 PolarHBondContact O-N 2.86Å; L125-E127 VanDerWaalsContact C-N 3.34Å; L125-E127 PolarHBondContact O-N 3.42Å
128K56.4Low48.6Very low171 Ų171127.7 Ų127.774%0.74370%0.701SS**Hα-helixtrans-72.9-25.7174.7-105.1-173175.1-169.70114T124 L125T124-K128 PolarHBondContact O-N 2.76Å; L125-K128 PolarHBondContact O-N 3.47Å
129L54.1Low48Very low109 Ų109123.5 Ų123.557%0.57170%0.703SS**Hα-helixtrans-82.5-15.3179.5-71170.4000113.4L125 E126 G131L125-L129 HydrophobicContact CD2-CD1 3.99Å; L125-L129 HydrophobicContact CD2-CG 4.23Å; L125-L129 WeakPolarHBondContact O-CG 3.14Å; L125-L129 PolarHBondContact O-N 3.1Å; E126-L129 PolarHBondContact O-N 2.72Å; L129-G131 VanDerWaalsContact C-N 3.3Å; L129-G131 PolarHBondContact O-N 3.15Å
130R51.2Low46.9Very low215 Ų215121.6 Ų121.681%0.81171%0.706SS**THydrogen-bonded Turntrans-74-18.7176.8-160.7176-67.6-117.90.5113.6
131G45.3Very low46.1Very low64 Ų64125.2 Ų125.266%0.6672%0.715SS**THydrogen-bonded Turntrans-83.6-13.3-179.300000115.6L129L129-G131 VanDerWaalsContact C-N 3.3Å; L129-G131 PolarHBondContact O-N 3.15Å
132L49.8Very low45.4Very low153 Ų153124.1 Ų124.180%0.80172%0.719SS**SBendtrans-100.7-1.1-174.3-63.1176.5000114
133S49.7Very low44.2Very low109 Ų109129.2 Ų129.276%0.76274%0.736SS**SBendtrans-93.3-3.6-177.7179.20000114.4
134G42.7Very low43.3Very low75 Ų75128.2 Ų128.277%0.77374%0.737SS**  trans-103.591.7-177.700000111.6
135G43.4Very low42.2Very low68 Ų68130.6 Ų130.670%0.70174%0.744SS**  trans165.254.3174.200000116.5
136F34.6Very low41.2Very low216 Ų216133.9 Ų133.995%0.94775%0.749SS**  trans-140.498.9150.7-128.4-92.8000107.9
137G32.3Very low39.7Very low62 Ų62133.9 Ų133.964%0.63975%0.753SS**  trans-77.6136.3-174.200000113.4
138E35.6Very low38.6Very low205 Ų205130.3 Ų130.396%0.95875%0.751SS**  37.9128.2126.9-76.8156.3129.100122.1
139G30.8Very low37.6Very low79 Ų79130.7 Ų130.781%0.81476%0.755SS**  trans-161.986.3154.600000111.9
140A32.5Very low36.6Very low96 Ų96132.9 Ų132.979%0.79377%0.767SS**  trans35.1111147.700000120.1
141E31Very low35.9Very low184 Ų184128.8 Ų128.886%0.8676%0.761SS**  94122.289-94.3-148.5157.900114.9
142S32.7Very low35.4Very low107 Ų107132.6 Ų132.675%0.74877%0.766SS**  173.3106.8122.1-85.20000112.4
143E31.9Very low34.6Very low165 Ų165128.6 Ų128.677%0.77176%0.762SS**  58.7131127.7-63.8-169.5144.300126
144L31.9Very low33.6Very low133 Ų133128.3 Ų128.370%0.69677%0.766SS**  trans92.3113.5130.1-82.9167.6000123.2
145M33.3Very low33.5Very low131 Ų131132.9 Ų132.965%0.64577%0.769SS**  trans59.7156133.3-70.1-70.5-170.400120.8
146R31.2Very low33.2Very low178 Ų178136.8 Ų136.867%0.67277%0.769SS**  cis-177168.6-21.4-156.1-162.8-97.6133.5-8.6104.5
147D27Very low33.1Very low136 Ų136132.1 Ų132.173%0.72776%0.759SS**  trans80.9150.3156.9-53.4-32000118.7
148A34Very low33.3Very low81 Ų81133 Ų13367%0.66977%0.768SS**  cis-179.6156.1-34.600000106
149Q34.3Very low33.1Very low178 Ų178128.9 Ų128.983%0.83276%0.757SS**  trans81.2109.9150.5-133.4167-3.900118.4
150L33.3Very low33.6Very low156 Ų156133 Ų13382%0.81776%0.759SS**  74.211366-68.1-178.2000116.5
151N36.2Very low33.7Very low128 Ų128133.9 Ų133.968%0.68475%0.751SS**  117.9143.6114.9-128.6-3.4000123
152N35.4Very low34.1Very low144 Ų144134.7 Ų134.777%0.7775%0.752SS**  trans67.9148.2150.5-59.9-38.9000120.2
153G31.8Very low34.3Very low69 Ų69134.2 Ų134.271%0.71175%0.745SS**  cis170.8129.85.600000106.7
154A29.9Very low34.8Very low104 Ų104134.6 Ų134.686%0.8675%0.746SS**  63118.194.500000118.7
155M39.7Very low35.1Very low170 Ų170137.4 Ų137.484%0.83776%0.756SS**  trans71145.8153.7-108.3177.9134.500118.6
156E36.7Very low35.9Very low151 Ų151138 Ų13871%0.70676%0.761SS**  cis-156.9152.230.5-79.2-145.781.400114.6
157T33.2Very low36.8Very low117 Ų117134.8 Ų134.872%0.71876%0.764SS**  30.3126.6128.9-27.70000122.8
158G35.8Very low38Very low81 Ų81137.6 Ų137.684%0.83577%0.77SS**  trans-167.3113163.700000114
159T32.8Very low38.7Very low119 Ų119141.5 Ų141.573%0.7377%0.774SS**  trans-83.4135.4-173.3-48.90000113.3
160L40.8Very low39.5Very low164 Ų164139.3 Ų139.386%0.85976%0.764SS**  149.7137125.1-77178.4000114.8
161D35.1Very low40.5Very low116 Ų116138.1 Ų138.162%0.6276%0.763SS**  trans-71.4144.5-179.917427.9000113.8T163D161-T163 PolarHBondContact OD1-N 3.2Å
162F38.4Very low41.5Very low201 Ų201137.9 Ų137.988%0.88276%0.756SS**  trans-165.595.6136.8-80.8-60.9000110.3
163T36.8Very low42.5Very low97 Ų97142.2 Ų142.260%0.59576%0.761SS**  27.4134.6129.312.60000121.9D161D161-T163 PolarHBondContact OD1-N 3.2Å
164E42.6Very low43.6Very low173 Ų173148 Ų14881%0.80876%0.763SS**  trans79.192.2154.1-53.6-81.914800117
165E38.9Very low45Very low191 Ų191147.2 Ų147.289%0.89377%0.765SS**  -164.4120.7125.8-106175.9-15600110.3P167E165-P167 WeakPolarHBondContact O-CD 3.25Å
166D49.1Very low46.1Very low143 Ų143141.9 Ų141.977%0.76575%0.754SS**  trans-71.6130.5-180-171.5-7.5000110.9K168D166-K168 PolarHBondContact OD1-N 3.09Å
167P50.5Low47Very low112 Ų112142.8 Ų142.873%0.72776%0.756SS**  trans-127.885149.535.8-21.5000109.7E165 E169E165-P167 WeakPolarHBondContact O-CD 3.25Å; P167-E169 VanDerWaalsContact C-N 3.34Å; P167-E169 PolarHBondContact O-N 3.3Å
168K52.7Low48.3Very low195 Ų195145.1 Ų145.185%0.84876%0.763SS**  trans30.668.3145.3-73.3178178.8173.30112.3D166 Q170D166-K168 PolarHBondContact OD1-N 3.09Å; K168-Q170 PolarHBondContact O-N 3.1Å
169E47.9Very low49.6Very low162 Ų162149.7 Ų149.776%0.75776%0.755SS**  trans-70.5102.3179.9-167177.3173.700109P167P167-E169 VanDerWaalsContact C-N 3.34Å; P167-E169 PolarHBondContact O-N 3.3Å
170Q50.9Low50.8Low132 Ų132153.7 Ų153.762%0.61776%0.762SS**  trans45.997.9140.2-59.217734.400115.6K168 K172K168-Q170 PolarHBondContact O-N 3.1Å; Q170-K172 PolarHBondContact O-N 3.24Å
171V56.1Low51.5Low131 Ų131154.5 Ų154.579%0.79476%0.755SS**  trans-36.298.3151179.90000110.6R173V171-R173 HydrophobicContact CG1-CG 4.05Å
172K55.6Low52.4Low123 Ų123154.8 Ų154.854%0.53576%0.764SS.*  trans-114.589.2157.8-64.9-179.4-176.1165.20107.2Q170 Y174Q170-K172 PolarHBondContact O-N 3.24Å; K172-Y174 HydrophobicContact CB-CD2 3.6Å; K172-Y174 HydrophobicContact CB-CE2 3.37Å; K172-Y174 HydrophobicContact CD-CE2 3.65Å; K172-Y174 HydrophobicContact CG-CE2 4.05Å; K172-Y174 PolarHBondContact O-N 3.5Å
173R56.5Low52.8Low236 Ų236154.6 Ų154.689%0.89176%0.762SS**  trans-64.775.9163.7-72.6-179.1176.4-137.90.3108.5V171 G175V171-R173 HydrophobicContact CG1-CG 4.05Å; R173-G175 PolarHBondContact O-N 3.33Å; R173-G175 VanDerWaalsContact O-N 3.12Å
174Y54.9Low53.5Low189 Ų189162 Ų16274%0.74178%0.779SS**  trans-71106.1165.9-76.1-78.7000107.5K172 G176K172-Y174 HydrophobicContact CB-CD2 3.6Å; K172-Y174 HydrophobicContact CB-CE2 3.37Å; K172-Y174 HydrophobicContact CD-CE2 3.65Å; K172-Y174 HydrophobicContact CG-CE2 4.05Å; K172-Y174 PolarHBondContact O-N 3.5Å; Y174-G176 PolarHBondContact O-N 3.02Å
175G59.6Low53.6Low88 Ų88158.4 Ų158.491%0.90777%0.774SS**  trans-66.660.8164.500000110.9R173 F177R173-G175 PolarHBondContact O-N 3.33Å; R173-G175 VanDerWaalsContact O-N 3.12Å; G175-F177 PolarHBondContact O-N 3.23Å
176G62.5Low53.9Low59 Ų59153.9 Ų153.961%0.60876%0.763SS**  trans-85.4103.9175.900000109.3Y174 L178Y174-G176 PolarHBondContact O-N 3.02Å; G176-L178 PolarHBondContact O-N 3.14Å
177F57Low53.6Low170 Ų170155.7 Ų155.775%0.74677%0.767SS**  trans-42.8107172.6-166.3-105.7000111.9G175 R179G175-F177 PolarHBondContact O-N 3.23Å; F177-R179 HydrophobicContact CD1-CG 3.4Å; F177-R179 HydrophobicContact CE1-CG 3.64Å; F177-R179 PolarHBondContact O-N 2.92Å
178L59.7Low53.1Low166 Ų166157 Ų15787%0.86977%0.772SS**  trans-65.591.6170.2-81.5159.7000109.3G176 K180G176-L178 PolarHBondContact O-N 3.14Å; L178-K180 PolarHBondContact O-N 2.92Å; L178-K180 VanDerWaalsContact O-N 3.09Å
179R63.7Low52.7Low176 Ų176152.8 Ų152.866%0.66477%0.774SS**  trans-74.595.3164.5-63.5-169.2177-133.2-0.2108F177 Y181F177-R179 HydrophobicContact CD1-CG 3.4Å; F177-R179 HydrophobicContact CE1-CG 3.64Å; F177-R179 PolarHBondContact O-N 2.92Å; R179-Y181 VanDerWaalsContact C-N 3.33Å; R179-Y181 HydrophobicContact CB-CD2 4.38Å; R179-Y181 HydrophobicContact CB-CE2 4.1Å; R179-Y181 PolarHBondContact O-N 2.73Å
180K57Low52.2Low203 Ų203148.4 Ų148.488%0.88377%0.772SS**  trans-62.198.2159.5-74.1-173.6178.9-173.70107.7L178L178-K180 PolarHBondContact O-N 2.92Å; L178-K180 VanDerWaalsContact O-N 3.09Å
181Y54.9Low51.9Low182 Ų182151.9 Ų151.971%0.71479%0.788SS**  trans-75.5136.3157.1-70.9-81.1000108R179 K183R179-Y181 VanDerWaalsContact C-N 3.33Å; R179-Y181 HydrophobicContact CB-CD2 4.38Å; R179-Y181 HydrophobicContact CB-CE2 4.1Å; R179-Y181 PolarHBondContact O-N 2.73Å; Y181-K183 PolarHBondContact O-N 3.17Å
182P54.3Low50.9Low122 Ų122148.9 Ų148.979%0.79278%0.784SS**  trans-66.4113.7161.1-11.526.5000107.9R184P182-R184 PolarHBondContact O-N 2.98Å; P182-R184 VanDerWaalsContact O-N 3.12Å
183K47.2Very low50.2Low196 Ų196151.1 Ų151.185%0.85280%0.802SS**  trans-59.1109.3163.6-74.1179.9174.7-177.40107.6Y181Y181-K183 PolarHBondContact O-N 3.17Å
184R51.3Low49.2Very low252 Ų252142.9 Ų142.995%0.95179%0.79SS**  trans-89.397.8158.5-98.8-170.3172.9110.5-4.1107.2P182P182-R184 PolarHBondContact O-N 2.98Å; P182-R184 VanDerWaalsContact O-N 3.12Å
185S46Very low48.7Very low99 Ų99141.8 Ų141.869%0.69280%0.797SS**  trans-155.3101.3163.457.80000107.9
186S44.5Very low47.8Very low96 Ų96143.1 Ų143.167%0.67179%0.793SS**  trans-176.397.7144.6570000106.7
187E42.9Very low47.3Very low181 Ų181149.6 Ų149.685%0.84681%0.809SS**  trans8.8112.413464.3-136.6124.900116.3
188V39.9Very low46.7Very low139 Ų139144.5 Ų144.584%0.84281%0.805SS**  trans-144.5111.3139.796.80000107.7
189A44.6Very low46.3Very low107 Ų107145.2 Ų145.288%0.88480%0.803SS**  trans-58.9130.4162.700000107.9
190G37.3Very low46Very low69 Ų69144.2 Ų144.271%0.71181%0.806SS**  trans-154.488.1174.100000107.2G192G190-G192 PolarHBondContact O-N 3.34Å
191E44.2Very low46.1Very low205 Ų205142.1 Ų142.196%0.95880%0.804SS**  trans-53.3125.9164.9-157.281.7158.500108.3
192G35Very low46.4Very low68 Ų68140.1 Ų140.170%0.70181%0.805SS**  trans-177.593.6-177.400000111.2G190G190-G192 PolarHBondContact O-N 3.34Å
193D41.2Very low46.5Very low171 Ų171145.7 Ų145.791%0.91481%0.812SS**  trans-48.4140.8164.6-174.319.8000111.4
194G35.3Very low47.4Very low62 Ų62145.2 Ų145.264%0.63981%0.81SS**  trans168.787.4-175.900000113.4S196G194-S196 PolarHBondContact O-N 2.96Å; G194-S196 VanDerWaalsContact O-N 3.11Å
195D43.7Very low47.7Very low167 Ų167144.2 Ų144.289%0.89381%0.806SS**  trans-46.5112.4155.8-80.6-35.2000110.3
196S42.3Very low48.3Very low116 Ų116150.5 Ų150.581%0.81182%0.817SS**  trans-153111.9159.2-1220000110.8G194 G198G194-S196 PolarHBondContact O-N 2.96Å; G194-S196 VanDerWaalsContact O-N 3.11Å; S196-G198 PolarHBondContact O-N 3.36Å
197M50.9Low49.2Very low195 Ų195149.5 Ų149.596%0.96182%0.821SS**  trans-36.4127.3159.9-69.1-167.3150.600111.9
198G45.2Very low50.5Low63 Ų63144.1 Ų144.165%0.64981%0.814SS**  trans-158.649.7173.500000110.3S196 E200S196-G198 PolarHBondContact O-N 3.36Å; G198-E200 PolarHBondContact O-N 2.75Å
199H50.7Low51.6Low181 Ų181144.2 Ų144.284%0.83880%0.804SS**  trans-89.647.1179.3-160.9-74.3000111
200E57.7Low52.1Low155 Ų155147.6 Ų147.672%0.72481%0.806SS**  trans-140.637.6178.5-59.596.7-136.700114.8G198 L202G198-E200 PolarHBondContact O-N 2.75Å; E200-L202 PolarHBondContact O-N 3.25Å
201D59Low53.4Low158 Ų158152.7 Ų152.785%0.84580%0.804SS**SBendtrans-8278.2164.9-89.7-9.6000111.4
202L60.4Low54.5Low141 Ų141153 Ų15374%0.73880%0.796SS**  trans61.785.6135.7-67.4146.4000116.5E200 K204E200-L202 PolarHBondContact O-N 3.25Å; L202-K204 PolarHBondContact O-N 3.45Å
203Y56.6Low55.9Low239 Ų239157.2 Ų157.294%0.93780%0.801SS**SBendtrans-5564.1155.2-174-99.7000112.8
204K66.1Low56.9Low185 Ų185158.8 Ų158.880%0.80479%0.794SS**  trans-145.857160.4-69.6-159.8-176.7-178.40110.6L202L202-K204 PolarHBondContact O-N 3.45Å
205R57.4Low58.1Low231 Ų231160.6 Ų160.687%0.87280%0.795SS**SBendtrans-92.2-3.4167.7-144167.9-169.7-120.13114.4
206Y59.6Low58.7Low232 Ų232162.7 Ų162.791%0.9180%0.796SS**SBendtrans-133.330-178.7-73.9-81.8000114.1
207G63.6Low59.7Low74 Ų74162.9 Ų162.976%0.76379%0.787SS**  trans-105.111.7-173.300000116.1
208G69.3Low60.4Low68 Ų68162.5 Ų162.570%0.70178%0.78SS**SBendtrans-132.111.6-152.800000118.4
209F62.6Low61Low142 Ų142167.6 Ų167.662%0.62378%0.78SS**  trans-166.349.4175.4-148.2-109.7000117.5R211F209-R211 HydrophobicContact CD1-CB 4.22Å; F209-R211 HydrophobicContact CD1-CG 3.89Å; F209-R211 HydrophobicContact CD2-CG 3.9Å; F209-R211 HydrophobicContact CE1-CB 4.16Å; F209-R211 VanDerWaalsContact CE1-CD 3.45Å; F209-R211 HydrophobicContact CE1-CG 3.62Å; F209-R211 HydrophobicContact CE2-CG 3.65Å; F209-R211 HydrophobicContact CG-CG 4.1Å; F209-R211 HydrophobicContact CZ-CG 3.62Å; F209-R211 VanDerWaalsContact CZ-NH2 3.35Å; F209-R211 PolarHBondContact O-N 3.34Å
210L56.2Low61.5Low178 Ų178165.5 Ų165.593%0.93278%0.775SS**  trans-74.373.7148.3-82.8153.2000107.1R212L210-R212 VanDerWaalsContact C-N 3.3Å; L210-R212 PolarHBondContact O-N 3.48Å
211R64.1Low61.4Low175 Ų175164 Ų16466%0.6677%0.772SS**  trans-56.9111154.8-82.4-170.1179.9151.88.4103.6F209 I213F209-R211 HydrophobicContact CD1-CB 4.22Å; F209-R211 HydrophobicContact CD1-CG 3.89Å; F209-R211 HydrophobicContact CD2-CG 3.9Å; F209-R211 HydrophobicContact CE1-CB 4.16Å; F209-R211 VanDerWaalsContact CE1-CD 3.45Å; F209-R211 HydrophobicContact CE1-CG 3.62Å; F209-R211 HydrophobicContact CE2-CG 3.65Å; F209-R211 HydrophobicContact CG-CG 4.1Å; F209-R211 HydrophobicContact CZ-CG 3.62Å; F209-R211 VanDerWaalsContact CZ-NH2 3.35Å; F209-R211 PolarHBondContact O-N 3.34Å; R211-I213 VanDerWaalsContact C-N 3.27Å; R211-I213 PolarHBondContact O-N 3.18Å
212R68.6Low61.4Low211 Ų211161.7 Ų161.780%0.79676%0.756SS**  trans-43.5103165.5-70.7178.3-75.5-108.40.7105.8L210 R214L210-R212 VanDerWaalsContact C-N 3.3Å; L210-R212 PolarHBondContact O-N 3.48Å; R212-R214 PolarHBondContact O-N 3.41Å
213I62.8Low61.5Low158 Ų158163.6 Ų163.681%0.8176%0.758SS**  trans-63.595.6171.5-62.7173.6000101.5R211 P215R211-I213 VanDerWaalsContact C-N 3.27Å; R211-I213 PolarHBondContact O-N 3.18Å; I213-P215 WeakPolarHBondContact O-CD 3.06Å; I213-P215 VanDerWaalsContact O-N 3.13Å
214R63.3Low61.6Low204 Ų204162.6 Ų162.677%0.7775%0.753SS**  trans-67.5108.8168.4-76-170.8174.3109.8-6.3103.3R212 K216R212-R214 PolarHBondContact O-N 3.41Å; R214-K216 PolarHBondContact O-N 3.11Å; R214-K216 VanDerWaalsContact O-N 3.15Å
215P61.1Low61.2Low100 Ų100161.6 Ų161.665%0.64975%0.745SS**  trans-55.9131.1166.121.4-21.5000104.9I213 L217I213-P215 WeakPolarHBondContact O-CD 3.06Å; I213-P215 VanDerWaalsContact O-N 3.13Å; P215-L217 HydrophobicContact CB-CB 4.43Å; P215-L217 PolarHBondContact O-N 3.46Å
216K55.9Low61.6Low210 Ų210152 Ų15291%0.91372%0.719SS**  trans-69.245172.4-69.8-102.6-173.31680109.6R214 K218R214-K216 PolarHBondContact O-N 3.11Å; R214-K216 VanDerWaalsContact O-N 3.15Å; K216-K218 PolarHBondContact O-N 3.25Å
217L63Low61.9Low120 Ų120142 Ų14263%0.62869%0.685SS**  trans-70.8115.7170.4-17066000105.4P215 W219P215-L217 HydrophobicContact CB-CB 4.43Å; P215-L217 PolarHBondContact O-N 3.46Å; L217-W219 VanDerWaalsContact C-N 3.26Å; L217-W219 PolarHBondContact O-N 3.24Å
218K65.2Low62.2Low187 Ų187143 Ų14381%0.81367%0.669SS**  trans-60.192.8175.4-63.6-179.5-179.2178.90107.7K216 D220K216-K218 PolarHBondContact O-N 3.25Å; K218-D220 PolarHBondContact O-N 3.32Å
219W58.5Low62.2Low170 Ų170143.3 Ų143.364%0.64465%0.654SS**THydrogen-bonded Turntrans-73.435.2178.6-154.4-76000111.4L217 Q222L217-W219 VanDerWaalsContact C-N 3.26Å; L217-W219 PolarHBondContact O-N 3.24Å; W219-Q222 HydrophobicContact CG-CB 4.49Å
220D60.8Low62.4Low137 Ų137141.4 Ų141.473%0.73364%0.642SS**THydrogen-bonded Turntrans-93-25.8-179.7-154.213.4000111K218K218-D220 PolarHBondContact O-N 3.32Å
221N55.5Low63.1Low124 Ų124142 Ų14266%0.66363%0.633SS**SBendtrans-88.1-11.7-178.8-70.4-54.3000114.5K223 R224N221-K223 VanDerWaalsContact C-N 3.35Å; N221-K223 PolarHBondContact O-N 3.46Å; N221-R224 PolarHBondContact O-N 3.42Å
222Q59.8Low63.4Low109 Ų109139.9 Ų139.951%0.50963%0.63SS.*Hα-helixtrans-76.7-19.5-175.8-170.5156.20.600113.8W219 R224W219-Q222 HydrophobicContact CG-CB 4.49Å; Q222-R224 VanDerWaalsContact C-N 3.34Å
223K62.2Low63.4Low181 Ų181136.3 Ų136.379%0.78762%0.621SS**Hα-helixtrans-76.9-20.5175-68.6-80.2-174.1169.40112.6N221N221-K223 VanDerWaalsContact C-N 3.35Å; N221-K223 PolarHBondContact O-N 3.46Å
224R58.8Low63.7Low219 Ų219137.1 Ų137.183%0.82662%0.618SS**Hα-helixtrans-82.1-33.3-177.4-155.5172.5-168.1-131.92.4113.3N221 Q222N221-R224 PolarHBondContact O-N 3.42Å; Q222-R224 VanDerWaalsContact C-N 3.34Å
225Y56.7Low64Low163 Ų163131 Ų13164%0.63960%0.603SS**Hα-helixtrans-85.5-24.6-179.3-131.1-91.9000113.8G227 F228 L229Y225-G227 VanDerWaalsContact C-N 3.28Å; Y225-G227 PolarHBondContact O-N 3.33Å; Y225-F228 PolarHBondContact O-N 3.23Å; Y225-L229 PolarHBondContact O-N 2.72Å
226G65.3Low64.3Low31 Ų31130.1 Ų130.132%0.3260%0.596SS.*Hα-helixtrans-65-29.2178.800000114R230G226-R230 WeakPolarHBondContact O-CG 3.32Å; G226-R230 PolarHBondContact O-N 3.46Å
227G67.8Low64.7Low20 Ų20122.6 Ų122.621%0.20657%0.568CS.*Hα-helixtrans-76.9-24.4177.700000114Y225 R231Y225-G227 VanDerWaalsContact C-N 3.28Å; Y225-G227 PolarHBondContact O-N 3.33Å; G227-R231 WeakPolarHBondContact O-CB 3.36Å; G227-R231 WeakPolarHBondContact O-CG 3.35Å; G227-R231 PolarHBondContact O-N 3.12Å; G227-R231 PolarHBondContact O-NE 3.46Å
228F69Low64.5Low97 Ų97127.4 Ų127.443%0.42558%0.577SS.*Hα-helixtrans-73.7-46176.6179.3-100.9000110.7Y225 R230 R231 Q232 F233Y225-F228 PolarHBondContact O-N 3.23Å; F228-R230 VanDerWaalsContact C-N 3.33Å; F228-R230 PolarHBondContact O-N 2.97Å; F228-R231 PolarHBondContact O-N 2.78Å; F228-R231 VanDerWaalsContact O-N 3.13Å; F228-Q232 HydrophobicContact CD2-CG 3.86Å; F228-Q232 HydrophobicContact CE1-CG 4.17Å; F228-Q232 HydrophobicContact CE2-CG 3.48Å; F228-Q232 VanDerWaalsContact CE2-CG 3.48Å; F228-Q232 HydrophobicContact CG-CG 4.37Å; F228-Q232 HydrophobicContact CZ-CB 4.41Å; F228-Q232 HydrophobicContact CZ-CG 3.66Å; F228-Q232 PolarHBondContact O-N 3.3Å; F228-F233 HydrophobicContact CE1-CE2 4.09Å
229L69.1Low64.3Low73 Ų73123.7 Ų123.738%0.38258%0.575SS.*Hα-helixtrans-62.5-37.8176.6-65.4176.1000112.6Y225 R231 F233 K234 V235Y225-L229 PolarHBondContact O-N 2.72Å; L229-R231 VanDerWaalsContact C-N 3.34Å; L229-R231 PolarHBondContact O-N 3.03Å; L229-F233 HydrophobicContact CD2-CD2 3.77Å; L229-F233 HydrophobicContact CD2-CE2 4.24Å; L229-F233 CarbonylContact O-C 3.19Å; L229-F233 WeakPolarHBondContact O-CA 3.35Å; L229-F233 WeakPolarHBondContact O-CB 3.48Å; L229-F233 PolarHBondContact O-N 2.81Å; L229-K234 PolarHBondContact O-N 2.93Å; L229-V235 PolarHBondContact O-N 3.09Å
230R66.9Low64.4Low102 Ų102121.4 Ų121.439%0.38557%0.572SS.*Hα-helixtrans-67.6-31.3174.6-72.1179.4-167.4-91.3-1.2113.4G226 F228 K234 T237 Q240G226-R230 WeakPolarHBondContact O-CG 3.32Å; G226-R230 PolarHBondContact O-N 3.46Å; F228-R230 VanDerWaalsContact C-N 3.33Å; F228-R230 PolarHBondContact O-N 2.97Å; R230-K234 WeakPolarHBondContact O-CA 3.4Å; R230-T237 PolarHBondContact NH1-OG1 2.98Å; R230-T237 VanDerWaalsContact NH2-CG2 3.27Å; R230-T237 PolarHBondContact NH2-OG1 3.19Å; R230-Q240 VanDerWaalsContact NH1-OE1 3.16Å
231R70.3Confident64.3Low192 Ų192120.5 Ų120.573%0.72556%0.563SS**Hα-helixtrans-85.2-44.9-178.3-78.2-179-85.3-140.72.9113.5G227 F228 L229G227-R231 WeakPolarHBondContact O-CB 3.36Å; G227-R231 WeakPolarHBondContact O-CG 3.35Å; G227-R231 PolarHBondContact O-N 3.12Å; G227-R231 PolarHBondContact O-NE 3.46Å; F228-R231 PolarHBondContact O-N 2.78Å; F228-R231 VanDerWaalsContact O-N 3.13Å; L229-R231 VanDerWaalsContact C-N 3.34Å; L229-R231 PolarHBondContact O-N 3.03Å
232Q70.4Confident64.4Low129 Ų129120.7 Ų120.760%0.60356%0.564SS**Hα-helixtrans-86-39.4-176.4-64.9-63.2-4400112.3F228F228-Q232 HydrophobicContact CD2-CG 3.86Å; F228-Q232 HydrophobicContact CE1-CG 4.17Å; F228-Q232 HydrophobicContact CE2-CG 3.48Å; F228-Q232 VanDerWaalsContact CE2-CG 3.48Å; F228-Q232 HydrophobicContact CG-CG 4.37Å; F228-Q232 HydrophobicContact CZ-CB 4.41Å; F228-Q232 HydrophobicContact CZ-CG 3.66Å; F228-Q232 PolarHBondContact O-N 3.3Å
233F68.9Low64.4Low137 Ų137121.5 Ų121.560%0.60158%0.579SS**SBendtrans-1122.8-171.4-61.8-78000113.3F228 L229 V235F228-F233 HydrophobicContact CE1-CE2 4.09Å; L229-F233 HydrophobicContact CD2-CD2 3.77Å; L229-F233 HydrophobicContact CD2-CE2 4.24Å; L229-F233 CarbonylContact O-C 3.19Å; L229-F233 WeakPolarHBondContact O-CA 3.35Å; L229-F233 WeakPolarHBondContact O-CB 3.48Å; L229-F233 PolarHBondContact O-N 2.81Å; F233-V235 HydrophobicContact CB-CG2 3.72Å; F233-V235 PolarHBondContact O-N 3.26Å
234K69.1Low64Low175 Ų175119 Ų11976%0.76157%0.574SS**  trans43.535.7-177.3-67.1179.8-179.3173.60113L229 R230 V236L229-K234 PolarHBondContact O-N 2.93Å; R230-K234 WeakPolarHBondContact O-CA 3.4Å; K234-V236 PolarHBondContact O-N 2.82Å
235V69.6Low64.1Low76 Ų76113 Ų11346%0.46157%0.571SS.*  trans-71.9100.2-178.6-179.50000107.9L229 F233 T237L229-V235 PolarHBondContact O-N 3.09Å; F233-V235 HydrophobicContact CB-CG2 3.72Å; F233-V235 PolarHBondContact O-N 3.26Å; V235-T237 PolarHBondContact O-N 3.39Å
236V67.1Low64.1Low81 Ų81115.8 Ų115.849%0.49158%0.582SS.*  trans-75.7118.5170.3-178.30000106.8K234 Q240K234-V236 PolarHBondContact O-N 2.82Å; V236-Q240 HydrophobicContact CG1-CB 3.99Å
237T65.8Low63.8Low52 Ų52118.5 Ų118.532%0.31960%0.596SS.*  trans-72137.2169.751.60000108.3R230 V235 S239 Q240R230-T237 PolarHBondContact NH1-OG1 2.98Å; R230-T237 VanDerWaalsContact NH2-CG2 3.27Å; R230-T237 PolarHBondContact NH2-OG1 3.19Å; V235-T237 PolarHBondContact O-N 3.39Å; T237-S239 PolarHBondContact O-N 2.91Å; T237-S239 PolarHBondContact OG1-OG 2.95Å; T237-Q240 PolarHBondContact O-N 2.9Å
238R57Low63.3Low221 Ų221120.9 Ų120.983%0.83462%0.621SS**G310 helixtrans-45-16.2175.4-82.2-176118.7128.10.4116.5Q240R238-Q240 VanDerWaalsContact C-N 3.31Å
239S62.3Low62.8Low109 Ų109125.3 Ų125.376%0.76264%0.643SS**G310 helixtrans-79.7-5.2174.366.50000115T237T237-S239 PolarHBondContact O-N 2.91Å; T237-S239 PolarHBondContact OG1-OG 2.95Å
240Q59.4Low62.2Low122 Ų122129.1 Ų129.157%0.5766%0.663SS**G310 helixtrans-113.23-180-153.4-178.922.700112R230 V236 T237 R238 D242R230-Q240 VanDerWaalsContact NH1-OE1 3.16Å; V236-Q240 HydrophobicContact CG1-CB 3.99Å; T237-Q240 PolarHBondContact O-N 2.9Å; R238-Q240 VanDerWaalsContact C-N 3.31Å; Q240-D242 PolarHBondContact O-N 3.12Å
241E58.5Low61.5Low118 Ų118134 Ų13455%0.55169%0.687SS**SBendtrans-76.3116.5166.4-75.4163-175.500107.4
242D57.9Low60.7Low127 Ų127133.2 Ų133.268%0.67970%0.697SS**  trans-59.2131.2172.8-71.7-47.6000108.7Q240 N244 A245Q240-D242 PolarHBondContact O-N 3.12Å; D242-N244 PolarHBondContact O-N 3.39Å; D242-A245 PolarHBondContact O-N 3.11Å
243P60.1Low59.5Low127 Ų127135.6 Ų135.683%0.82574%0.739SS**THydrogen-bonded Turntrans-63-6.5-17724.9-33.9000113.7
244N54.3Low59.1Low128 Ų128135.5 Ų135.568%0.68475%0.746SS**THydrogen-bonded Turntrans-92.1-1.8-177.6-14816.8000113.9D242 Y246D242-N244 PolarHBondContact O-N 3.39Å; N244-Y246 PolarHBondContact O-N 3.43Å
245A60.4Low58.6Low93 Ų93133.4 Ų133.477%0.76975%0.745SS**THydrogen-bonded Turntrans-71.8-12.2-178.300000114.2D242D242-A245 PolarHBondContact O-N 3.11Å
246Y57.2Low57.9Low221 Ų221136.6 Ų136.687%0.86776%0.761SS**THydrogen-bonded Turntrans-109.62.2-179.5-158.7-102.8000113.6N244N244-Y246 PolarHBondContact O-N 3.43Å
247S58.4Low57.4Low89 Ų89139.9 Ų139.962%0.62278%0.776SS**SBendtrans-96.82.5-173.1-54.40000114.4
248G58.2Low56.9Low70 Ų70145.4 Ų145.472%0.72281%0.805SS**SBendtrans-98.8-9.3-175.500000116.4
249E57.9Low56.9Low190 Ų190140.3 Ų140.389%0.88880%0.803SS**  trans-11371.8-174.2-59.3-153.7-175.300111.4
250L55.8Low56.5Low152 Ų152142.6 Ų142.680%0.79681%0.806SS**SBendtrans-15216.4166.5-127.2146.6000115.1
251F53.8Low56.3Low205 Ų205144.2 Ų144.290%0.89982%0.824SS**  trans-135.681.2170.9-66.9-72.7000110.7
252D53.2Low56.1Low176 Ų176146.3 Ų146.394%0.94185%0.847SS**  trans-156.291.9144.7-118.3-14000108.4
253A45.7Very low55.9Low178 Ų178148.1 Ų148.1100%1.47186%0.862SS**  trans-157.90162.800000108.9

Retrieved 253 of 253 residues in 431.3 ms (Link to these results)

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