A0A087WT39_HUMAN Loading...

Lck interacting transmembrane adaptor 1

AlphaFold DB , UniProt , Accession A0A087WT39, Species HUMAN (Homo sapiens, Human), Gene LIME1, Length 176 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
1M41.7Very low58Low243 Ų243117.5 Ų117.5100%1.19770%0.698SS**  087.30-58.1-103.1-173.700106.8L3M1-L3 PolarHBondContact O-N 2.78Å
2G52Low59.5Low78 Ų78117.4 Ų117.480%0.80469%0.691SS**  trans-78.1120-176.300000109.8
3L58.8Low61.5Low157 Ų157124.7 Ų124.782%0.82270%0.7SS**  trans-59.6132.6172.4-72.8103.3000108.8M1 V5M1-L3 PolarHBondContact O-N 2.78Å; L3-V5 PolarHBondContact O-N 2.88Å
4P60.3Low63.4Low124 Ų124121.9 Ų121.981%0.80569%0.686SS**  trans-64.8105.3176.326.3-31.2000107.7S6P4-S6 PolarHBondContact O-N 3.18Å; P4-S6 VanDerWaalsContact O-N 3.08Å
5V52.8Low65Low132 Ų132121.6 Ų121.680%0.868%0.682SS**  trans-46.8117.9170.3170.20000107.3L3 W7L3-V5 PolarHBondContact O-N 2.88Å; V5-W7 VanDerWaalsContact C-N 3.27Å; V5-W7 PolarHBondContact O-N 3.34Å
6S57.9Low66.6Low94 Ų94116.7 Ų116.766%0.65767%0.667SS**  trans-49.285.9179.4-70.90000111.8P4 P9P4-S6 PolarHBondContact O-N 3.18Å; P4-S6 VanDerWaalsContact O-N 3.08Å; S6-P9 WeakPolarHBondContact O-CD 3.42Å
7W52Low68Low222 Ų222113.7 Ų113.784%0.84165%0.654SS**  trans-84.71.9161.2-163.5-87.6000111.1V5 P10V5-W7 VanDerWaalsContact C-N 3.27Å; V5-W7 PolarHBondContact O-N 3.34Å; W7-P10 VanDerWaalsContact O-CD 3.3Å; W7-P10 WeakPolarHBondContact O-CD 3.47Å
8A56.1Low69.2Low50 Ų50110.8 Ų110.841%0.41364%0.64SS.*Hα-helixtrans-65.3-19.5172.900000116.7L12A8-L12 HydrophobicContact CB-CD1 4.23Å; A8-L12 WeakPolarHBondContact O-CB 3.16Å; A8-L12 WeakPolarHBondContact O-CD1 3.47Å; A8-L12 VanDerWaalsContact O-CG 3.23Å; A8-L12 WeakPolarHBondContact O-CG 3.39Å; A8-L12 PolarHBondContact O-N 3.46Å; A8-L12 VanDerWaalsContact O-N 3.15Å
9P63.8Low70.5Confident72 Ų72108.1 Ų108.147%0.46863%0.633SS.*Hα-helixtrans-60.7-48.7-177.8-18.927.6000114.7S6 W13S6-P9 WeakPolarHBondContact O-CD 3.42Å; P9-W13 PolarHBondContact O-N 2.8Å
10P69.3Low71.6Confident68 Ų68109 Ų10944%0.44263%0.634SS.*Hα-helixtrans-72-36.4-178.426-33.9000112.5W7 L12 W13 V14W7-P10 VanDerWaalsContact O-CD 3.3Å; W7-P10 WeakPolarHBondContact O-CD 3.47Å; P10-L12 PolarHBondContact O-N 3.29Å; P10-W13 PolarHBondContact O-N 3.03Å; P10-V14 VanDerWaalsContact O-CG2 3.25Å; P10-V14 WeakPolarHBondContact O-CG2 3.47Å; P10-V14 PolarHBondContact O-N 3.29Å
11A73.4Confident72.6Confident52 Ų52109 Ų10943%0.4363%0.631SS.*Hα-helixtrans-65.2-41.1-179.900000111.7V14 L15A11-V14 PolarHBondContact O-N 3.4Å; A11-L15 VanDerWaalsContact O-CD1 3.27Å; A11-L15 WeakPolarHBondContact O-CD1 2.97Å; A11-L15 PolarHBondContact O-N 3.3Å
12L75.7Confident75Confident117 Ų117103 Ų10361%0.61360%0.603SS**Hα-helixtrans-66.9-37.5175.7-68.1171.6000112A8 P10 L15 G16A8-L12 HydrophobicContact CB-CD1 4.23Å; A8-L12 WeakPolarHBondContact O-CB 3.16Å; A8-L12 WeakPolarHBondContact O-CD1 3.47Å; A8-L12 VanDerWaalsContact O-CG 3.23Å; A8-L12 WeakPolarHBondContact O-CG 3.39Å; A8-L12 PolarHBondContact O-N 3.46Å; A8-L12 VanDerWaalsContact O-N 3.15Å; P10-L12 PolarHBondContact O-N 3.29Å; L12-L15 PolarHBondContact O-N 3.47Å; L12-G16 PolarHBondContact O-N 3.01Å
13W85.6Confident77Confident212 Ų212102.7 Ų102.780%0.80359%0.589SS**Hα-helixtrans-63.7-42.7172.8-100.287.8000112.6P9 P10 G16 C17P9-W13 PolarHBondContact O-N 2.8Å; P10-W13 PolarHBondContact O-N 3.03Å; W13-G16 PolarHBondContact O-N 3.25Å; W13-C17 VanDerWaalsContact O-CB 3.25Å; W13-C17 WeakPolarHBondContact O-CB 3.35Å; W13-C17 PolarHBondContact O-N 2.89Å
14V87.9Confident78.6Confident85 Ų85100 Ų10052%0.51558%0.575SS.*Hα-helixtrans-65.1-43.8176.3172.40000110.4P10 A11 C17 C18P10-V14 VanDerWaalsContact O-CG2 3.25Å; P10-V14 WeakPolarHBondContact O-CG2 3.47Å; P10-V14 PolarHBondContact O-N 3.29Å; A11-V14 PolarHBondContact O-N 3.4Å; V14-C17 PolarHBondContact O-N 3.44Å; V14-C18 WeakPolarHBondContact O-CB 3.43Å; V14-C18 PolarHBondContact O-N 3.48Å; V14-C18 PolarHBondContact O-SG 3.39Å
15L87.1Confident80.1Confident118 Ų118102.3 Ų102.362%0.61857%0.567SS**Hα-helixtrans-62.2-43.8175.3-9976.5000111.9A11 L12 C18 A19A11-L15 VanDerWaalsContact O-CD1 3.27Å; A11-L15 WeakPolarHBondContact O-CD1 2.97Å; A11-L15 PolarHBondContact O-N 3.3Å; L12-L15 PolarHBondContact O-N 3.47Å; L15-C18 PolarHBondContact O-N 3.18Å; L15-A19 WeakPolarHBondContact O-CB 3.3Å; L15-A19 PolarHBondContact O-N 3.33Å
16G91.3Very high81.8Confident43 Ų4398.3 Ų98.344%0.44355%0.549SS..Hα-helixtrans-62.1-41.9175.400000112.4L12 W13 A19 L20L12-G16 PolarHBondContact O-N 3.01Å; W13-G16 PolarHBondContact O-N 3.25Å; G16-A19 PolarHBondContact O-N 3.35Å; G16-L20 WeakPolarHBondContact O-CB 3.36Å; G16-L20 PolarHBondContact O-N 3.32Å
17C90.3Very high83.1Confident66 Ų6698.7 Ų98.745%0.44654%0.543SS..Hα-helixtrans-65.3-44175.6-170.80000111.8W13 V14 L20 L21W13-C17 VanDerWaalsContact O-CB 3.25Å; W13-C17 WeakPolarHBondContact O-CB 3.35Å; W13-C17 PolarHBondContact O-N 2.89Å; V14-C17 PolarHBondContact O-N 3.44Å; C17-L20 PolarHBondContact O-N 3.5Å; C17-L21 WeakPolarHBondContact O-CB 3.15Å; C17-L21 WeakPolarHBondContact O-CG 3.5Å; C17-L21 PolarHBondContact O-N 2.84Å
18C89.8Confident84.5Confident61 Ų6190.9 Ų90.941%0.41252%0.521SS..Hα-helixtrans-61-45.5174.6-75.50000111.4V14 L15 L20 L21 L22V14-C18 WeakPolarHBondContact O-CB 3.43Å; V14-C18 PolarHBondContact O-N 3.48Å; V14-C18 PolarHBondContact O-SG 3.39Å; L15-C18 PolarHBondContact O-N 3.18Å; C18-L20 VanDerWaalsContact C-N 3.34Å; C18-L20 PolarHBondContact O-N 2.84Å; C18-L21 PolarHBondContact O-N 2.88Å; C18-L22 VanDerWaalsContact O-CB 3.32Å; C18-L22 WeakPolarHBondContact O-CB 3.25Å; C18-L22 WeakPolarHBondContact O-CG 3.35Å; C18-L22 PolarHBondContact O-N 3.03Å
19A92.9Very high85.3Confident60 Ų6091.8 Ų91.850%0.49652%0.522SS..Hα-helixtrans-61.8-41176.100000111.8L15 G16 S23L15-A19 WeakPolarHBondContact O-CB 3.3Å; L15-A19 PolarHBondContact O-N 3.33Å; G16-A19 PolarHBondContact O-N 3.35Å; A19-S23 WeakPolarHBondContact O-CB 3.27Å; A19-S23 PolarHBondContact O-N 3.36Å
20L94.3Very high85.8Confident126 Ų12691 Ų9166%0.6652%0.521SS*.Hα-helixtrans-67.5-42.7177.8-167.670.1000112.1G16 C17 C18 S23 L24G16-L20 WeakPolarHBondContact O-CB 3.36Å; G16-L20 PolarHBondContact O-N 3.32Å; C17-L20 PolarHBondContact O-N 3.5Å; C18-L20 VanDerWaalsContact C-N 3.34Å; C18-L20 PolarHBondContact O-N 2.84Å; L20-S23 PolarHBondContact O-N 3.07Å; L20-L24 VanDerWaalsContact O-CB 3.3Å; L20-L24 WeakPolarHBondContact O-CB 3.23Å; L20-L24 PolarHBondContact O-N 2.99Å
21L92.7Very high85.9Confident109 Ų10992.4 Ų92.457%0.57153%0.532SS*.Hα-helixtrans-64.6-43.2175.9-75.2168.5000111.6C17 C18 L24 W25C17-L21 WeakPolarHBondContact O-CB 3.15Å; C17-L21 WeakPolarHBondContact O-CG 3.5Å; C17-L21 PolarHBondContact O-N 2.84Å; C18-L21 PolarHBondContact O-N 2.88Å; L21-L24 PolarHBondContact O-N 2.89Å; L21-W25 WeakPolarHBondContact O-CB 3.44Å; L21-W25 PolarHBondContact O-N 3.36Å
22L91.6Very high85.1Confident117 Ų11799.7 Ų99.761%0.61355%0.548SS*.Hα-helixtrans-66.6-40176.2-71.1171.8000111.5C18 W25 A26C18-L22 VanDerWaalsContact O-CB 3.32Å; C18-L22 WeakPolarHBondContact O-CB 3.25Å; C18-L22 WeakPolarHBondContact O-CG 3.35Å; C18-L22 PolarHBondContact O-N 3.03Å; L22-W25 PolarHBondContact O-N 2.89Å; L22-A26 VanDerWaalsContact O-CB 3.29Å; L22-A26 WeakPolarHBondContact O-CB 3.42Å; L22-A26 PolarHBondContact O-N 2.79Å
23S93.2Very high83.8Confident72 Ų72103.4 Ų103.450%0.50355%0.554SS.*Hα-helixtrans-64.4-46.8174.8-177.50000111.4A19 L20 W25 A26 L27A19-S23 WeakPolarHBondContact O-CB 3.27Å; A19-S23 PolarHBondContact O-N 3.36Å; L20-S23 PolarHBondContact O-N 3.07Å; S23-W25 VanDerWaalsContact C-N 3.3Å; S23-W25 PolarHBondContact O-N 2.9Å; S23-A26 PolarHBondContact O-N 3.47Å; S23-L27 VanDerWaalsContact O-CB 3.28Å; S23-L27 WeakPolarHBondContact O-CB 3.33Å; S23-L27 PolarHBondContact O-N 3.5Å
24L92.4Very high82.2Confident99 Ų9996.3 Ų96.352%0.51854%0.535SS..Hα-helixtrans-64.1-36.9175.9-174.963.3000111.3L20 L21 C28L20-L24 VanDerWaalsContact O-CB 3.3Å; L20-L24 WeakPolarHBondContact O-CB 3.23Å; L20-L24 PolarHBondContact O-N 2.99Å; L21-L24 PolarHBondContact O-N 2.89Å; L24-C28 WeakPolarHBondContact O-CB 3.47Å; L24-C28 PolarHBondContact O-N 2.7Å; L24-C28 PolarHBondContact O-SG 3.08Å
25W93Very high80.2Confident173 Ų173101.7 Ų101.766%0.65556%0.555SS**Hα-helixtrans-67.4-42.8174.8-175.186.5000111.9L21 L22 S23 C28 T29L21-W25 WeakPolarHBondContact O-CB 3.44Å; L21-W25 PolarHBondContact O-N 3.36Å; L22-W25 PolarHBondContact O-N 2.89Å; S23-W25 VanDerWaalsContact C-N 3.3Å; S23-W25 PolarHBondContact O-N 2.9Å; W25-C28 PolarHBondContact O-N 2.95Å; W25-T29 HydrophobicContact CD2-CG2 4.07Å; W25-T29 HydrophobicContact CE3-CG2 4.35Å; W25-T29 HydrophobicContact CH2-CG2 4.28Å; W25-T29 HydrophobicContact CZ2-CG2 3.99Å; W25-T29 HydrophobicContact CZ3-CG2 4.45Å; W25-T29 WeakPolarHBondContact O-CB 3.34Å; W25-T29 VanDerWaalsContact O-CG2 3.28Å; W25-T29 WeakPolarHBondContact O-CG2 3.37Å; W25-T29 PolarHBondContact O-N 2.88Å; W25-T29 PolarHBondContact O-OG1 3.3Å
26A86.6Confident78.2Confident49 Ų49102.2 Ų102.241%0.40556%0.558SS.*Hα-helixtrans-63.2-43.817400000111.1L22 S23 T29 A30L22-A26 VanDerWaalsContact O-CB 3.29Å; L22-A26 WeakPolarHBondContact O-CB 3.42Å; L22-A26 PolarHBondContact O-N 2.79Å; S23-A26 PolarHBondContact O-N 3.47Å; A26-T29 WeakPolarHBondContact CA-OG1 3.36Å; A26-T29 PolarHBondContact O-N 2.91Å; A26-T29 PolarHBondContact O-OG1 3.31Å; A26-A30 WeakPolarHBondContact O-CB 3.3Å; A26-A30 PolarHBondContact O-N 2.81Å
27L85.9Confident75.8Confident101 Ų101103.9 Ų103.953%0.52957%0.568SS.*Hα-helixtrans-66.3-40.8175.9-170.163.5000110.8S23 T29 A30 C31S23-L27 VanDerWaalsContact O-CB 3.28Å; S23-L27 WeakPolarHBondContact O-CB 3.33Å; S23-L27 PolarHBondContact O-N 3.5Å; L27-T29 PolarHBondContact O-N 3.28Å; L27-A30 CarbonylContact O-C 3.33Å; L27-A30 PolarHBondContact O-N 2.94Å; L27-C31 WeakPolarHBondContact O-CB 3.25Å; L27-C31 PolarHBondContact O-N 3.34Å; L27-C31 PolarHBondContact O-SG 3.46Å
28C81.9Confident73.9Confident59 Ų59107.4 Ų107.440%0.39959%0.587SS.*Hα-helixtrans-66.7-36.3175.1-74.80000112.2L24 W25 R32L24-C28 WeakPolarHBondContact O-CB 3.47Å; L24-C28 PolarHBondContact O-N 2.7Å; L24-C28 PolarHBondContact O-SG 3.08Å; W25-C28 PolarHBondContact O-N 2.95Å; C28-R32 WeakPolarHBondContact O-CA 3.2Å; C28-R32 WeakPolarHBondContact O-CB 3.32Å; C28-R32 WeakPolarHBondContact O-CG 3.35Å; C28-R32 PolarHBondContact O-N 2.88Å
29T72.7Confident71.8Confident68 Ų68106.5 Ų106.542%0.41758%0.584SS.*Hα-helixtrans-76-2917651.70000112.1W25 A26 L27 R32 R33W25-T29 HydrophobicContact CD2-CG2 4.07Å; W25-T29 HydrophobicContact CE3-CG2 4.35Å; W25-T29 HydrophobicContact CH2-CG2 4.28Å; W25-T29 HydrophobicContact CZ2-CG2 3.99Å; W25-T29 HydrophobicContact CZ3-CG2 4.45Å; W25-T29 WeakPolarHBondContact O-CB 3.34Å; W25-T29 VanDerWaalsContact O-CG2 3.28Å; W25-T29 WeakPolarHBondContact O-CG2 3.37Å; W25-T29 PolarHBondContact O-N 2.88Å; W25-T29 PolarHBondContact O-OG1 3.3Å; A26-T29 WeakPolarHBondContact CA-OG1 3.36Å; A26-T29 PolarHBondContact O-N 2.91Å; A26-T29 PolarHBondContact O-OG1 3.31Å; L27-T29 PolarHBondContact O-N 3.28Å; T29-R32 CarbonylContact O-C 3.59Å; T29-R33 WeakPolarHBondContact O-CA 3.29Å; T29-R33 PolarHBondContact O-N 3.29Å
30A73.3Confident69.8Low55 Ų55108.1 Ų108.146%0.45559%0.589SS.*Hα-helixtrans-80.1-32.2172.800000113.5A26 L27 R33A26-A30 WeakPolarHBondContact O-CB 3.3Å; A26-A30 PolarHBondContact O-N 2.81Å; L27-A30 CarbonylContact O-C 3.33Å; L27-A30 PolarHBondContact O-N 2.94Å; A30-R33 WeakPolarHBondContact O-CB 3.28Å; A30-R33 PolarHBondContact O-N 3.21Å
31C72.1Confident67.8Low99 Ų99112.8 Ų112.867%0.66960%0.598SS**Hα-helixtrans-82.7-27.6172.6-66.20000111.5L27L27-C31 WeakPolarHBondContact O-CB 3.25Å; L27-C31 PolarHBondContact O-N 3.34Å; L27-C31 PolarHBondContact O-SG 3.46Å
32R57.3Low65.8Low205 Ų205114.3 Ų114.377%0.77460%0.6SS**THydrogen-bonded Turntrans-87.116.5160.9-63.1-164.9179.3-177.53.6112.1C28 T29 P34C28-R32 WeakPolarHBondContact O-CA 3.2Å; C28-R32 WeakPolarHBondContact O-CB 3.32Å; C28-R32 WeakPolarHBondContact O-CG 3.35Å; C28-R32 PolarHBondContact O-N 2.88Å; T29-R32 CarbonylContact O-C 3.59Å; R32-P34 VanDerWaalsContact O-N 3.11Å
33R47.5Very low63.9Low194 Ų194118.1 Ų118.173%0.73261%0.606SS**  trans-54124.5168.1-172.1164.9-172.7144.7-2.4105.6T29 A30 E35T29-R33 WeakPolarHBondContact O-CA 3.29Å; T29-R33 PolarHBondContact O-N 3.29Å; A30-R33 WeakPolarHBondContact O-CB 3.28Å; A30-R33 PolarHBondContact O-N 3.21Å; R33-E35 PolarHBondContact O-N 3.49Å
34P52.7Low61.9Low64 Ų64117.4 Ų117.442%0.41661%0.605SS.*  trans-77.5101.3-153.832.5-35.8000107.6R32 D36 A37R32-P34 VanDerWaalsContact O-N 3.11Å; P34-D36 PolarHBondContact O-N 2.89Å; P34-A37 HydrophobicContact CB-CB 4.4Å; P34-A37 HydrophobicContact CG-CB 3.97Å; P34-A37 WeakPolarHBondContact O-CB 3.42Å; P34-A37 PolarHBondContact O-N 3.15Å
35E45.9Very low60.1Low198 Ų198121.9 Ų121.993%0.92562%0.615SS**THydrogen-bonded Turntrans-57.6-2.9147.3-75.3-93.394.400110.7R33R33-E35 PolarHBondContact O-N 3.49Å
36D44.8Very low58.2Low129 Ų129122.2 Ų122.269%0.6962%0.616SS**THydrogen-bonded Turntrans-113.245.8164.4-61.5-60000112.3P34 V38 A39P34-D36 PolarHBondContact O-N 2.89Å; D36-V38 PolarHBondContact O-N 3.48Å; D36-A39 PolarHBondContact O-N 2.78Å
37A41.8Very low56.7Low77 Ų77126.5 Ų126.564%0.63663%0.628SS**THydrogen-bonded Turntrans-62.420.1178.400000114.6P34P34-A37 HydrophobicContact CB-CB 4.4Å; P34-A37 HydrophobicContact CG-CB 3.97Å; P34-A37 WeakPolarHBondContact O-CB 3.42Å; P34-A37 PolarHBondContact O-N 3.15Å
38V49.5Very low55.2Low140 Ų140130.9 Ų130.985%0.84864%0.637SS**THydrogen-bonded Turntrans-110.7-3.4172175.10000112.4D36D36-V38 PolarHBondContact O-N 3.48Å
39A46Very low53.9Low43 Ų43130.5 Ų130.536%0.35564%0.638SS.*  trans-133.913.1-171.900000121D36 R41 K42D36-A39 PolarHBondContact O-N 2.78Å; A39-R41 PolarHBondContact O-N 2.9Å; A39-K42 HydrophobicContact CB-CB 4.47Å; A39-K42 PolarHBondContact O-N 3.2Å; A39-K42 VanDerWaalsContact O-N 3.09Å
40P49.9Very low53.1Low93 Ų93136.9 Ų136.960%0.60466%0.655SS**Hα-helixtrans-66.5-28174.326.9-30.8000112.1K42P40-K42 VanDerWaalsContact C-N 3.33Å; P40-K42 PolarHBondContact O-N 3.46Å
41R52.3Low52.3Low224 Ų224140.1 Ų140.185%0.84566%0.664SS**Hα-helixtrans-66.9-28.1172.2-79.3-175.8174.1-174.2-1.2113.6A39 R45A39-R41 PolarHBondContact O-N 2.9Å; R41-R45 VanDerWaalsContact O-CB 3.3Å; R41-R45 WeakPolarHBondContact O-CB 3.14Å; R41-R45 PolarHBondContact O-N 3.36Å; R41-R45 VanDerWaalsContact O-N 3.14Å
42K50.5Low51.4Low141 Ų141142.1 Ų142.161%0.61366%0.663SS**Hα-helixtrans-77.5-31.3-174.4-83.1-166.2179.1-168.20113.3A39 P40 R46A39-K42 HydrophobicContact CB-CB 4.47Å; A39-K42 PolarHBondContact O-N 3.2Å; A39-K42 VanDerWaalsContact O-N 3.09Å; P40-K42 VanDerWaalsContact C-N 3.33Å; P40-K42 PolarHBondContact O-N 3.46Å; K42-R46 WeakPolarHBondContact O-CB 3.3Å; K42-R46 WeakPolarHBondContact O-CG 3.33Å; K42-R46 PolarHBondContact O-N 3.27Å
43R51.5Low51.2Low198 Ų198134 Ų13475%0.74764%0.643SS**Hα-helixtrans-74.1-43.2178.1-71.1-171.2-176.7-153.62.7112.2R45 R46 Q47R43-R45 VanDerWaalsContact C-N 3.33Å; R43-R45 PolarHBondContact O-N 2.9Å; R43-R46 PolarHBondContact O-N 2.85Å; R43-Q47 PolarHBondContact O-N 2.9Å
44A52.7Low51.5Low57 Ų57128 Ų12847%0.47163%0.631SS.*Hα-helixtrans-62.5-39.5172.700000111.9Q47 R48A44-Q47 PolarHBondContact O-N 3.42Å; A44-R48 WeakPolarHBondContact O-CB 3.19Å; A44-R48 PolarHBondContact O-N 3.41Å
45R53.7Low51.4Low192 Ų192128 Ų12873%0.72564%0.636SS**Hα-helixtrans-66.3-38.1172.7-170176.6-175.7-90.83.5112.8R41 R43 R48 A49R41-R45 VanDerWaalsContact O-CB 3.3Å; R41-R45 WeakPolarHBondContact O-CB 3.14Å; R41-R45 PolarHBondContact O-N 3.36Å; R41-R45 VanDerWaalsContact O-N 3.14Å; R43-R45 VanDerWaalsContact C-N 3.33Å; R43-R45 PolarHBondContact O-N 2.9Å; R45-R48 PolarHBondContact O-N 2.86Å; R45-A49 WeakPolarHBondContact O-CB 3.29Å; R45-A49 PolarHBondContact O-N 2.86Å
46R53.5Low51.7Low181 Ų181123.2 Ų123.268%0.68362%0.621SS**Hα-helixtrans-69.3-35.7175.8-80.7-175.8-175.8-122.45112.6K42 R43 R50K42-R46 WeakPolarHBondContact O-CB 3.3Å; K42-R46 WeakPolarHBondContact O-CG 3.33Å; K42-R46 PolarHBondContact O-N 3.27Å; R43-R46 PolarHBondContact O-N 2.85Å; R46-R50 WeakPolarHBondContact O-CB 3.19Å; R46-R50 WeakPolarHBondContact O-CG 3.18Å; R46-R50 PolarHBondContact O-N 3.14Å
47Q54.6Low51.7Low139 Ų139119.2 Ų119.265%0.6561%0.606SS**Hα-helixtrans-68.1-44.6171.9-88.3-175.7-55.400111.7R43 A44 A49 R50 L51R43-Q47 PolarHBondContact O-N 2.9Å; A44-Q47 PolarHBondContact O-N 3.42Å; Q47-A49 PolarHBondContact O-N 3.43Å; Q47-R50 PolarHBondContact O-N 2.85Å; Q47-L51 WeakPolarHBondContact O-CG 3.06Å; Q47-L51 PolarHBondContact O-N 3.25Å
48R55.6Low52Low192 Ų192118.7 Ų118.773%0.72560%0.601SS**Hα-helixtrans-61.8-40.5172.8-80.5-170.8172.5-168.2-1.6112.7A44 R45 L51 Q52A44-R48 WeakPolarHBondContact O-CB 3.19Å; A44-R48 PolarHBondContact O-N 3.41Å; R45-R48 PolarHBondContact O-N 2.86Å; R48-L51 PolarHBondContact O-N 3.09Å; R48-Q52 WeakPolarHBondContact O-CB 3.44Å; R48-Q52 WeakPolarHBondContact O-CG 3.19Å; R48-Q52 PolarHBondContact O-N 3.09Å
49A54.6Low52Low51 Ų51120.1 Ų120.142%0.42160%0.599SS.*Hα-helixtrans-69.3-33.9176.600000112.7R45 Q47 G53R45-A49 WeakPolarHBondContact O-CB 3.29Å; R45-A49 PolarHBondContact O-N 2.86Å; Q47-A49 PolarHBondContact O-N 3.43Å; A49-G53 PolarHBondContact O-N 3.3Å
50R55.4Low51.9Low202 Ų202120.8 Ų120.876%0.76260%0.604SS**Hα-helixtrans-68.1-38.7172.9-82.5-176.3179.1-101.92.3111.9R46 Q47 S54R46-R50 WeakPolarHBondContact O-CB 3.19Å; R46-R50 WeakPolarHBondContact O-CG 3.18Å; R46-R50 PolarHBondContact O-N 3.14Å; Q47-R50 PolarHBondContact O-N 2.85Å; R50-S54 WeakPolarHBondContact O-CB 3.28Å; R50-S54 PolarHBondContact O-N 2.8Å; R50-S54 PolarHBondContact O-OG 3.35Å; R50-S54 VanDerWaalsContact O-OG 3.07Å
51L56.6Low51.9Low123 Ų123123.7 Ų123.764%0.64461%0.61SS**Hα-helixtrans-68.7-38.7175-76.8158.9000112.4Q47 R48 S54 A55Q47-L51 WeakPolarHBondContact O-CG 3.06Å; Q47-L51 PolarHBondContact O-N 3.25Å; R48-L51 PolarHBondContact O-N 3.09Å; L51-S54 WeakPolarHBondContact CA-OG 3.44Å; L51-S54 PolarHBondContact O-OG 2.89Å; L51-A55 PolarHBondContact O-N 2.83Å
52Q53.9Low51.6Low141 Ų141119.6 Ų119.666%0.65961%0.609SS**Hα-helixtrans-73.5-36.9175.8-74.5-176.6-24.700112.6R48 A55 T56R48-Q52 WeakPolarHBondContact O-CB 3.44Å; R48-Q52 WeakPolarHBondContact O-CG 3.19Å; R48-Q52 PolarHBondContact O-N 3.09Å; Q52-A55 PolarHBondContact O-N 3.41Å; Q52-T56 PolarHBondContact O-N 3.37Å; Q52-T56 PolarHBondContact O-OG1 3.05Å
53G52.8Low51.5Low34 Ų34115.8 Ų115.835%0.35161%0.61SS.*Hα-helixtrans-71.5-27.2175.700000113.8A49 T56 A57A49-G53 PolarHBondContact O-N 3.3Å; G53-T56 PolarHBondContact O-OG1 2.74Å; G53-A57 WeakPolarHBondContact O-CB 3.19Å; G53-A57 PolarHBondContact O-N 3.49Å
54S52.9Low51.2Low70 Ų70114 Ų11449%0.4961%0.61SS.*Hα-helixtrans-74.4-27.6171.354.50000113R50 L51 A58R50-S54 WeakPolarHBondContact O-CB 3.28Å; R50-S54 PolarHBondContact O-N 2.8Å; R50-S54 PolarHBondContact O-OG 3.35Å; R50-S54 VanDerWaalsContact O-OG 3.07Å; L51-S54 WeakPolarHBondContact CA-OG 3.44Å; L51-S54 PolarHBondContact O-OG 2.89Å; S54-A58 PolarHBondContact O-N 3.4Å
55A50.9Low50.9Low62 Ų62120.4 Ų120.451%0.51263%0.63SS.*Hα-helixtrans-71.5-41.2174.600000111.5L51 Q52L51-A55 PolarHBondContact O-N 2.83Å; Q52-A55 PolarHBondContact O-N 3.41Å
56T52.1Low50.5Low99 Ų99117.9 Ų117.961%0.60764%0.636SS**Hα-helixtrans-79.6-27.417851.60000113.8Q52 G53 E59Q52-T56 PolarHBondContact O-N 3.37Å; Q52-T56 PolarHBondContact O-OG1 3.05Å; G53-T56 PolarHBondContact O-OG1 2.74Å; T56-E59 PolarHBondContact O-N 3.41Å
57A45.5Very low50Low45 Ų45113.5 Ų113.537%0.37264%0.638SS.*Hα-helixtrans-73.6-26.6174.100000113.1G53 E59 A60 Q61G53-A57 WeakPolarHBondContact O-CB 3.19Å; G53-A57 PolarHBondContact O-N 3.49Å; A57-E59 VanDerWaalsContact C-N 3.28Å; A57-E59 PolarHBondContact O-N 2.83Å; A57-A60 PolarHBondContact O-N 3.46Å; A57-Q61 WeakPolarHBondContact O-CG 3.38Å
58A47.5Very low49.2Very low66 Ų66118.4 Ų118.455%0.54565%0.651SS.*Hα-helixtrans-66.5-31.1174.100000112.1S54S54-A58 PolarHBondContact O-N 3.4Å
59E49.1Very low48.1Very low169 Ų169113.7 Ų113.779%0.7965%0.653SS**Hα-helixtrans-80.6-23.1179.1-54.5-139.8116.100112.9T56 A57T56-E59 PolarHBondContact O-N 3.41Å; A57-E59 VanDerWaalsContact C-N 3.28Å; A57-E59 PolarHBondContact O-N 2.83Å
60A45.2Very low47.3Very low57 Ų57116 Ų11647%0.47167%0.672SS.*Hα-helixtrans-86-10.4-179.900000114.6A57 H64A57-A60 PolarHBondContact O-N 3.46Å; A60-H64 PolarHBondContact O-ND1 3.43Å
61Q48.1Very low46.8Very low155 Ų155112.5 Ų112.572%0.72468%0.675SS**THydrogen-bonded Turntrans-85.7-2.4-176.8-73.8-169.60.200114.8A57 G63A57-Q61 WeakPolarHBondContact O-CG 3.38Å; Q61-G63 VanDerWaalsContact C-N 3.33Å
62V47.9Very low45.7Very low138 Ų138110.2 Ų110.284%0.83668%0.682SS**THydrogen-bonded Turntrans-80.2-12.3173.71750000112.7
63G48.5Very low45.4Very low60 Ų60109.9 Ų109.962%0.61969%0.692SS**SBendtrans-98.4-10-171.500000118.3Q61Q61-G63 VanDerWaalsContact C-N 3.33Å
64H44.3Very low44.7Very low162 Ų162113 Ų11375%0.7571%0.714SS**  trans-122.323.3-160.2-62101000116.4A60 T66A60-H64 PolarHBondContact O-ND1 3.43Å; H64-T66 VanDerWaalsContact C-N 3.33Å; H64-T66 PolarHBondContact O-N 2.92Å
65Q46.1Very low44.3Very low191 Ų191118.2 Ų118.289%0.89373%0.731SS**SBendtrans-92.329173.4-76.8-153.579.500114.6
66T46.4Very low43.8Very low138 Ų138123 Ų12385%0.84774%0.743SS**  trans-144.687.3170.5-53.10000111H64H64-T66 VanDerWaalsContact C-N 3.33Å; H64-T66 PolarHBondContact O-N 2.92Å
67A41.3Very low43Very low89 Ų89126.5 Ų126.574%0.73675%0.752SS**  trans175.9107.7135.500000111.8
68R38.1Very low42.5Very low242 Ų242128 Ų12891%0.91377%0.771SS**  trans61108.3133.9-65.6-174.9176.2177.4-0.7120.2
69A33.4Very low42.5Very low94 Ų94131.3 Ų131.378%0.77779%0.787SS**  51.4101.7117.600000119.7
70A38.1Very low42Very low98 Ų98127.8 Ų127.881%0.8179%0.787SS**  28.9168126.800000122.2
71P44.6Very low41.4Very low129 Ų129130 Ų13084%0.83881%0.806SS**  -137.5167.1-55.739-22.6000113.5
72G32Very low40.7Very low75 Ų75127.9 Ų127.977%0.77381%0.807SS**  trans116.7141143.300000119.7
73P48.3Very low40.4Very low134 Ų134130.5 Ų130.587%0.8781%0.81SS**  trans-98.9154.5-169.639-32.5000114
74A38.5Very low39.6Very low99 Ų99136.8 Ų136.882%0.81882%0.823SS**  trans-123.5119.4168.900000111
75Q44.2Very low39Very low180 Ų180132.5 Ų132.584%0.84182%0.822SS**  trans-103.3125.1177.8-143.6-125.891.500107.4
76Q40.8Very low38.6Very low164 Ų164129 Ų12977%0.76682%0.818SS**  trans-147105.9169.7-65.3-169.334.800108
77Q35.6Very low38.7Very low171 Ų171128.3 Ų128.380%0.79982%0.817SS**  68104.898.2-74.2168.8-6300114.3
78G34.1Very low38.3Very low76 Ų76128.3 Ų128.378%0.78482%0.817SS**  107.7155.994.300000110.4
79P48.8Very low38.7Very low136 Ų136122.8 Ų122.888%0.88381%0.812SS**  cis-138.2171.337.238.5-18.4000117
80A37.4Very low38.9Very low95 Ų95124.6 Ų124.679%0.78581%0.814SS**  trans-80.2149.6-179.700000113.8
81A33Very low39.4Very low104 Ų104128.8 Ų128.886%0.8682%0.821SS**  trans-126.5115.7153.500000108.1
82C33.3Very low39.1Very low110 Ų110126.6 Ų126.674%0.74382%0.815SS**  trans-69.2138.4169.8-540000109.1
83Q40.8Very low39.9Very low194 Ų194127.5 Ų127.591%0.90782%0.823SS**  trans-154.1138.7130.8-80.1-52.343.300111.7
84H32.2Very low39.2Very low192 Ų192124.2 Ų124.289%0.88981%0.814SS**  trans-90.2139.3-176.1-160.994.9000109.2
85G30.9Very low39.9Very low71 Ų71126.9 Ų126.973%0.73282%0.82SS**  trans153.6101168.100000115.5
86S38.9Very low39.7Very low117 Ų117125.4 Ų125.482%0.81881%0.813SS**  trans-126.1140.8153.9-80.20000105.8
87P49Very low39.6Very low124 Ų124120.8 Ų120.881%0.80581%0.81SS**  -148.2143.877.634.4-14000117.6
88A31.9Very low39.8Very low90 Ų90120.4 Ų120.474%0.74481%0.808SS**  trans65.1166.4141.300000120.1
89P47.1Very low40Very low125 Ų125123.9 Ų123.981%0.81280%0.803SS**  -112.1129.7-91.531.3-15.3000111.3
90T36.7Very low39.4Very low133 Ų133129.4 Ų129.482%0.81681%0.806SS**  trans-109.9116.1169.2-54.70000108.5A92T90-A92 VanDerWaalsContact C-N 3.33Å; T90-A92 PolarHBondContact O-N 3.26Å
91L49Very low39.6Very low185 Ų185129.8 Ų129.897%0.96980%0.799SS**  trans-51.597.5165.2-77.5158.3000108.8
92A38.3Very low40.1Very low84 Ų84129.2 Ų129.269%0.69480%0.795SS**  trans-127.3110.3169.200000106.4T90 G94T90-A92 VanDerWaalsContact C-N 3.33Å; T90-A92 PolarHBondContact O-N 3.26Å; A92-G94 PolarHBondContact O-N 2.8Å
93G47.9Very low40.6Very low93 Ų93127.4 Ų127.496%0.95979%0.794SS**  trans-56.6100.9176.400000110.2
94G35.5Very low40.5Very low66 Ų66123.7 Ų123.768%0.6879%0.789SS**  trans-92115.8168.800000109A92 Q96A92-G94 PolarHBondContact O-N 2.8Å; G94-Q96 VanDerWaalsContact C-N 3.27Å; G94-Q96 PolarHBondContact O-N 2.83Å
95V51.5Low41Very low155 Ų155119.9 Ų119.994%0.93978%0.782SS**  trans-63.795.1161.9178.30000106.7G97V95-G97 PolarHBondContact O-N 2.96Å
96Q41.1Very low41.4Very low149 Ų149124.2 Ų124.270%0.69679%0.788SS**  trans-80.6105.9-176.4-152.5171.884.400108.3G94 H98G94-Q96 VanDerWaalsContact C-N 3.27Å; G94-Q96 PolarHBondContact O-N 2.83Å; Q96-H98 PolarHBondContact O-N 2.95Å
97G38.9Very low41.4Very low67 Ų67124.4 Ų124.469%0.69179%0.788SS**  trans-59.2108.4168.800000109.7V95 H99V95-G97 PolarHBondContact O-N 2.96Å; G97-H99 PolarHBondContact O-N 2.8Å
98H39.7Very low41.1Very low163 Ų163125.7 Ų125.776%0.75579%0.787SS**  trans-70.198.9177.6-69.6-61.2000110.4Q96 R100Q96-H98 PolarHBondContact O-N 2.95Å; H98-R100 PolarHBondContact O-N 2.71Å
99H37.8Very low41.4Very low148 Ų148126.9 Ų126.969%0.68579%0.787SS**  trans-60.3118.4150.266.3-74.8000107.2G97 T101G97-H99 PolarHBondContact O-N 2.8Å; H99-T101 VanDerWaalsContact C-N 3.27Å; H99-T101 PolarHBondContact CD2-OG1 3.33Å; H99-T101 PolarHBondContact NE2-OG1 3.17Å; H99-T101 VanDerWaalsContact NE2-OG1 3.17Å; H99-T101 PolarHBondContact O-N 3.5Å
100R36.7Very low41.4Very low252 Ų252126.5 Ų126.595%0.95178%0.782SS**  trans-76.479.7-175.5-153.8-178-157.8173.66.6109.2H98H98-R100 PolarHBondContact O-N 2.71Å
101T40.9Very low41.5Very low103 Ų103126.3 Ų126.363%0.63278%0.783SS**  trans-70.9141.4170.6-60.90000109.8H99H99-T101 VanDerWaalsContact C-N 3.27Å; H99-T101 PolarHBondContact CD2-OG1 3.33Å; H99-T101 PolarHBondContact NE2-OG1 3.17Å; H99-T101 VanDerWaalsContact NE2-OG1 3.17Å; H99-T101 PolarHBondContact O-N 3.5Å
102A44.3Very low41.6Very low93 Ų93121.5 Ų121.577%0.76978%0.778SS**SBendtrans-45.2136-173.900000115.2
103G43.8Very low41.7Very low71 Ų71121.6 Ų121.673%0.73278%0.78SS**  trans51.784.3149.500000116.8P105G103-P105 WeakPolarHBondContact O-CD 2.88Å
104S37.8Very low41.4Very low116 Ų116121.1 Ų121.181%0.81177%0.766SS**  trans-65.6118.3157-67.60000109.5L106S104-L106 PolarHBondContact O-N 3.35Å
105P44Very low41.6Very low112 Ų112124.6 Ų124.673%0.72778%0.777SS**  trans-73.4119.5160.729.9-27.8000107.7G103 C107G103-P105 WeakPolarHBondContact O-CD 2.88Å; P105-C107 PolarHBondContact O-N 3.06Å
106L39.4Very low41.5Very low163 Ų163121 Ų12185%0.85377%0.771SS**  trans-63.7104.8169.8-76.2161.1000108.2S104 L108S104-L106 PolarHBondContact O-N 3.35Å; L106-L108 PolarHBondContact O-N 2.72Å; L106-L108 VanDerWaalsContact O-N 3.12Å
107C38.6Very low41.5Very low121 Ų121119.2 Ų119.282%0.81878%0.775SS**  trans-7298.8163.4-69.60000107.6P105P105-C107 PolarHBondContact O-N 3.06Å
108L41.9Very low42.1Very low151 Ų151121 Ų12179%0.79178%0.783SS**PPolyproline II helixtrans-74.8125.4164.7-75.6157.9000107.6L106 T110L106-L108 PolarHBondContact O-N 2.72Å; L106-L108 VanDerWaalsContact O-N 3.12Å; L108-T110 PolarHBondContact O-N 2.95Å
109P39.5Very low42.2Very low115 Ų115116.2 Ų116.275%0.74778%0.778SS**PPolyproline II helixtrans-68.2123170.326.7-30.2000108.9
110T45.8Very low42.5Very low116 Ų116114.3 Ų114.371%0.71278%0.782SS**PPolyproline II helixtrans-61.3127.5169.4-56.90000108.8L108 G112L108-T110 PolarHBondContact O-N 2.95Å; T110-G112 PolarHBondContact O-N 3.22Å
111P38.8Very low42.7Very low129 Ų129107.1 Ų107.184%0.83877%0.768SS**THydrogen-bonded Turntrans-64.9121174-14.127.5000109.4
112G50.8Low42.9Very low84 Ų84107.5 Ų107.587%0.86678%0.775SS**THydrogen-bonded Turntrans109.719.3166.700000118T110T110-G112 PolarHBondContact O-N 3.22Å
113A41.3Very low42.9Very low87 Ų87110.4 Ų110.472%0.71977%0.773SS**  trans-97.5119.4171.900000111.8
114A41.9Very low42.8Very low82 Ų82117.9 Ų117.968%0.67878%0.779SS**  trans-62.5147.7174.700000112G116A114-G116 PolarHBondContact O-N 2.82Å
115P38.7Very low43Very low140 Ų140122.8 Ų122.891%0.90978%0.78SS**THydrogen-bonded Turntrans-71.2115.5-175.728.7-31.8000110
116G50.4Low43Very low79 Ų79122.2 Ų122.281%0.81477%0.774SS**THydrogen-bonded Turntrans136.8-7169.100000116.7A114A114-G116 PolarHBondContact O-N 2.82Å
117S41Very low43.2Very low112 Ų112125.5 Ų125.578%0.78378%0.775SS**  trans-88.3114.4171.8-750000110.3G119S117-G119 VanDerWaalsContact C-N 3.27Å; S117-G119 PolarHBondContact O-N 2.77Å
118A52.2Low43.4Very low103 Ų103130.2 Ų130.285%0.85178%0.775SS**  trans-57.893.2166.700000108.6S120A118-S120 PolarHBondContact O-N 2.94Å; A118-S120 VanDerWaalsContact O-N 3.1Å
119G40.2Very low43.7Very low63 Ų63128.2 Ų128.265%0.64977%0.771SS**  trans-57.5116.717600000108.7S117 C121S117-G119 VanDerWaalsContact C-N 3.27Å; S117-G119 PolarHBondContact O-N 2.77Å; G119-C121 VanDerWaalsContact C-N 3.34Å; G119-C121 PolarHBondContact O-N 2.93Å
120S45.5Very low44Very low109 Ų109133.6 Ų133.676%0.76278%0.777SS**  trans-61.797.2171.4-178.50000108.6A118 S122A118-S120 PolarHBondContact O-N 2.94Å; A118-S120 VanDerWaalsContact O-N 3.1Å; S120-S122 VanDerWaalsContact C-N 3.33Å; S120-S122 PolarHBondContact O-N 2.91Å
121C41.1Very low43.6Very low100 Ų100131.3 Ų131.368%0.67678%0.777SS**  trans-68.889.9174.4-88.60000109.2G119 H123G119-C121 VanDerWaalsContact C-N 3.34Å; G119-C121 PolarHBondContact O-N 2.93Å; C121-H123 VanDerWaalsContact C-N 3.33Å; C121-H123 PolarHBondContact O-CD2 3Å; C121-H123 PolarHBondContact O-N 3.07Å
122S43.6Very low44Very low111 Ų111132.7 Ų132.778%0.77677%0.771SS**  trans-68.592.7167-76.30000109.5S120 R124S120-S122 VanDerWaalsContact C-N 3.33Å; S120-S122 PolarHBondContact O-N 2.91Å; S122-R124 VanDerWaalsContact C-N 3.35Å; S122-R124 PolarHBondContact O-N 2.92Å
123H44.4Very low43.3Very low154 Ų154136.8 Ų136.871%0.71377%0.773SS**  trans-6989.1172.4-74.6-82.6000110.3C121 R125C121-H123 VanDerWaalsContact C-N 3.33Å; C121-H123 PolarHBondContact O-CD2 3Å; C121-H123 PolarHBondContact O-N 3.07Å; H123-R125 PolarHBondContact O-N 3.39Å
124R41Very low43.2Very low228 Ų228141.1 Ų141.186%0.8678%0.776SS**  trans-75.981.7163.3-160.4179.2-115.9-120.13.2108.2S122 V126S122-R124 VanDerWaalsContact C-N 3.35Å; S122-R124 PolarHBondContact O-N 2.92Å; R124-V126 PolarHBondContact O-N 2.92Å
125R42.5Very low43.1Very low220 Ų220146.5 Ų146.583%0.8379%0.786SS**  trans-65.297.1167-84.7-168.1-77.6-118.5-0.7108.1H123 R127H123-R125 PolarHBondContact O-N 3.39Å; R125-R127 VanDerWaalsContact C-N 3.27Å; R125-R127 PolarHBondContact O-N 3.17Å
126V44.3Very low43.2Very low99 Ų99151.1 Ų151.160%0.679%0.786SS**  trans-71.293.7163.1-170.40000106.2R124 W128R124-V126 PolarHBondContact O-N 2.92Å; V126-W128 PolarHBondContact O-N 2.94Å; V126-W128 VanDerWaalsContact O-N 3.09Å
127R44.7Very low42.6Very low232 Ų232150.1 Ų150.188%0.87578%0.775SS**  trans-69.3102170-173.5-175-117.5-142.61.9106.2R125 P129R125-R127 VanDerWaalsContact C-N 3.27Å; R125-R127 PolarHBondContact O-N 3.17Å; R127-P129 VanDerWaalsContact O-CD 3.29Å; R127-P129 WeakPolarHBondContact O-CD 3.21Å
128W41.3Very low42.3Very low220 Ų220150.1 Ų150.183%0.83378%0.782SS**  trans-58.9118.7164.5-64.196.7000107.2V126 R130V126-W128 PolarHBondContact O-N 2.94Å; V126-W128 VanDerWaalsContact O-N 3.09Å; W128-R130 PolarHBondContact O-N 3.41Å
129P48Very low41.6Very low109 Ų109148.6 Ų148.671%0.70878%0.777SS**  trans-59.3130.4167.524.7-28.6000106.1R127 G131R127-P129 VanDerWaalsContact O-CD 3.29Å; R127-P129 WeakPolarHBondContact O-CD 3.21Å; P129-G131 VanDerWaalsContact C-N 3.31Å; P129-G131 PolarHBondContact O-N 2.88Å
130R45.9Very low41.4Very low229 Ų229148.5 Ų148.586%0.86478%0.776SS**  trans-47.7103.6166-97.8173.9153.5156.3-7.3106.7W128 H132W128-R130 PolarHBondContact O-N 3.41Å; R130-H132 VanDerWaalsContact C-N 3.34Å; R130-H132 PolarHBondContact O-CD2 2.99Å; R130-H132 PolarHBondContact O-N 3.31Å; R130-H132 PolarHBondContact O-NE2 2.88Å
131G38.5Very low41.3Very low68 Ų68149.7 Ų149.770%0.70178%0.781SS**  trans-6898.917300000107.1P129 L133P129-G131 VanDerWaalsContact C-N 3.31Å; P129-G131 PolarHBondContact O-N 2.88Å; G131-L133 PolarHBondContact O-N 3.05Å
132H45.7Very low41.1Very low157 Ų157150.8 Ų150.873%0.72779%0.79SS**  trans-62.291.1154.4-38.7-82.2000105.2R130 F134R130-H132 VanDerWaalsContact C-N 3.34Å; R130-H132 PolarHBondContact O-CD2 2.99Å; R130-H132 PolarHBondContact O-N 3.31Å; R130-H132 PolarHBondContact O-NE2 2.88Å; H132-F134 PolarHBondContact O-N 3.32Å
133L37.8Very low41Very low171 Ų171158 Ų15890%0.89580%0.8SS**  trans-69.891.6163.4-99.9156.8000105.8G131 Q135G131-L133 PolarHBondContact O-N 3.05Å; L133-Q135 PolarHBondContact O-N 3.12Å
134F37.6Very low40.5Very low178 Ų178154 Ų15478%0.78180%0.8SS**  trans-39120.4151.1-87.5-100.7000107.8H132 R136H132-F134 PolarHBondContact O-N 3.32Å; F134-R136 PolarHBondContact O-N 3.3Å
135Q40.3Very low40.4Very low194 Ų194152 Ų15291%0.90780%0.8SS**  trans-57.895.9154.6-99.5-150.291.300106.6L133 G137L133-Q135 PolarHBondContact O-N 3.12Å; Q135-G137 PolarHBondContact O-N 3.05Å
136R40.8Very low40.3Very low238 Ų238147.5 Ų147.590%0.89880%0.8SS**  trans-75.887.9164-160.1178.5-146.4177.86105.9F134 A138F134-R136 PolarHBondContact O-N 3.3Å; R136-A138 PolarHBondContact O-N 2.8Å
137G37.7Very low39.9Very low57 Ų57146.3 Ų146.359%0.58881%0.808SS**  trans-52.2132.5162.100000108.1Q135 G139Q135-G137 PolarHBondContact O-N 3.05Å; G137-G139 PolarHBondContact O-N 3.1Å
138A35.8Very low39.4Very low112 Ų112139 Ų13993%0.92680%0.804SS**  trans-6779.7171.500000109R136R136-A138 PolarHBondContact O-N 2.8Å
139G35.9Very low39.4Very low72 Ų72137 Ų13774%0.74280%0.804SS**  trans-82.1112157.300000107.6G137G137-G139 PolarHBondContact O-N 3.1Å
140G37.7Very low39.3Very low61 Ų61137.4 Ų137.463%0.62981%0.807SS**  trans-64.2168.117100000111.9S142G140-S142 PolarHBondContact O-N 3.23Å
141P41.7Very low39.1Very low133 Ų133132.3 Ų132.386%0.86481%0.805SS**  trans-76.1117.5-179.931.2-29.4000108.8
142S37.4Very low38.8Very low124 Ų124133 Ų13387%0.86781%0.812SS**  trans-124.2103162.8-71.60000108.6G140G140-S142 PolarHBondContact O-N 3.23Å
143R41.8Very low38.2Very low263 Ų263129.4 Ų129.499%0.99282%0.817SS**  trans-76.7118.4171.8-166.5-179.2-177.2-1770.3106.3
144G34.1Very low38.4Very low70 Ų70133 Ų13372%0.72282%0.819SS**  trans137.6103.816200000117
145Q38.4Very low38.6Very low184 Ų184130.9 Ų130.986%0.8682%0.82SS**  trans57.3134.5140-74.6-113-5.200121.9
146P41.3Very low38.4Very low126 Ų126127.5 Ų127.582%0.81882%0.817SS**  trans-88.2117.7164.834.2-24.8000109.9
147G34.7Very low38.6Very low74 Ų74122.2 Ų122.276%0.76381%0.813SS**  trans-144131.1176.200000110
148G35.3Very low38.4Very low78 Ų78128.6 Ų128.680%0.80482%0.82SS**  trans-58.6161.1-164.600000117.7
149Q41.6Very low38.8Very low179 Ų179129.3 Ų129.384%0.83682%0.815SS**  trans-49.2151157.6-137.2172.1-43.900110.9
150P44.6Very low39Very low118 Ų118133.2 Ų133.277%0.76681%0.814SS**  -146.4176.784.632.3-10.8000115.9
151C41.5Very low39Very low121 Ų121134.7 Ų134.782%0.81882%0.82SS**  trans-45153.4-175.1-48.40000118.5
152G32.8Very low39Very low82 Ų82137.4 Ų137.485%0.84582%0.821SS**  trans165.1125.6153.400000115.7
153G33.8Very low39.1Very low82 Ų82143.1 Ų143.185%0.84582%0.824SS**  trans111.389.3149.600000117.8
154R40.6Very low39Very low246 Ų246137.2 Ų137.293%0.92881%0.812SS**  trans-59.7139.3157.4-67.7177.7175.7-159.2-1110.4
155V43.2Very low39.6Very low134 Ų134138.5 Ų138.581%0.81281%0.808SS**  trans-156.6117.3130.7-177.50000108.3
156C36.2Very low40.1Very low123 Ų123134.9 Ų134.983%0.83180%0.803SS**PPolyproline II helixtrans-87130.6163.6-64.10000108.7
157P43.6Very low40.2Very low127 Ų127137.6 Ų137.683%0.82581%0.805SS**PPolyproline II helixtrans-77.4126.6166.227.7-27.8000110.7
158R34.7Very low40.4Very low191 Ų191139.4 Ų139.472%0.72181%0.806SS**PPolyproline II helixtrans-59.5140.2175169.7178.4159.2134.8-6.3111.9E160R158-E160 IonicContact CZ-OE2 3.22Å; R158-E160 IonicContact NE-OE2 2.78Å; R158-E160 PolarHBondContact NE-OE2 2.9Å; R158-E160 IonicContact NH2-OE2 2.88Å; R158-E160 PolarHBondContact NH2-OE2 3.22Å
159P44.4Very low41Very low127 Ų127141.2 Ų141.283%0.82580%0.803SS**PPolyproline II helixtrans-83.5116.316931.1-26.7000108.8
160E40.3Very low41Very low154 Ų154144.1 Ų144.172%0.7281%0.806SS**  trans-106.4136.1168.5-108.2178.88200111.6R158R158-E160 IonicContact CZ-OE2 3.22Å; R158-E160 IonicContact NE-OE2 2.78Å; R158-E160 PolarHBondContact NE-OE2 2.9Å; R158-E160 IonicContact NH2-OE2 2.88Å; R158-E160 PolarHBondContact NH2-OE2 3.22Å
161A37.9Very low41.1Very low92 Ų92142.9 Ų142.976%0.7681%0.806SS**  trans-78.4142.8-163.400000113.4
162Q41.3Very low41.6Very low191 Ų191143.5 Ų143.589%0.89381%0.806SS**  trans19.9114.3137.7-159.2166.620.100117.9
163R38.3Very low42.2Very low244 Ų244144.2 Ų144.292%0.92180%0.804SS**  trans-139.2102.6155-113.7-178-178.2149.50.6109.9
164D41.3Very low42.5Very low139 Ų139144.2 Ų144.274%0.74380%0.804SS**  trans-71.6142.5141.1-134.7-59.8000106.1S166D164-S166 PolarHBondContact OD1-N 2.88Å
165P47Very low42.8Very low97 Ų97142.3 Ų142.363%0.6381%0.806SS**  -152.8141.686.933.7-12.4000115.7Q167P165-Q167 PolarHBondContact O-N 2.9Å
166S47.4Very low43Very low108 Ų108147.1 Ų147.176%0.75583%0.826SS**  trans-1.398.1131.8-176.40000116.6D164D164-S166 PolarHBondContact OD1-N 2.88Å
167Q43.3Very low43.3Very low183 Ų183148.3 Ų148.386%0.85583%0.826SS**  trans-15295.3153.2-73.8-161.375.700111.1P165P165-Q167 PolarHBondContact O-N 2.9Å
168S40.2Very low43.3Very low112 Ų112149.4 Ų149.478%0.78383%0.826SS**  trans-78.9149.5142.7-172.30000106.4
169P47.2Very low43.8Very low115 Ų115147.1 Ų147.175%0.74783%0.832SS**  cis-143.8177.337.838.7-17.5000115.1
170R41.9Very low43.7Very low241 Ų241148.3 Ų148.391%0.90983%0.833SS**  160.1133.2114.6-158.6171.7-168.6-178.81.9111.1
171A46.9Very low44Very low91 Ų91147.9 Ų147.975%0.75284%0.84SS**  trans-72148.2178.800000113.7
172T51Low44.4Very low134 Ų134151.7 Ų151.782%0.82285%0.845SS**  trans-143.4102.6154.433.40000103.4
173A45Very low44.6Very low98 Ų98148.9 Ų148.981%0.8184%0.842SS**  36.293.27000000108.8
174G40.1Very low45.1Very low81 Ų81141.5 Ų141.584%0.83584%0.835SS**  110.39567.500000105.3
175E47.9Very low45.4Very low207 Ų207141.8 Ų141.897%0.96784%0.843SS**  trans-99.4123.8176.9-103164.175.600108.4
176D46.6Very low45.2Very low234 Ų234145.8 Ų145.8100%1.25186%0.863SS**  trans-106.10148.7-176.5-105.6000106.4

Retrieved 176 of 176 residues in 104.1 ms (Link to these results)