A0A087WUJ1_HUMAN Loading...

Lck interacting transmembrane adaptor 1

AlphaFold DB , UniProt , Accession A0A087WUJ1, Species HUMAN (Homo sapiens, Human), Gene LIME1, Length 252 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
1M40.8Very low58.9Low242 Ų242119 Ų119100%1.19271%0.707SS**  082.90-59.6-53.8-175.600108.5
2G51.2Low60.7Low79 Ų79119.1 Ų119.181%0.81470%0.7SS**  trans-87.5116.3176.700000109.2
3L58.1Low62.8Low164 Ų164124.7 Ų124.786%0.85970%0.703SS**  trans-65.4129.5171.6-84.8151.2000109V5L3-V5 PolarHBondContact O-N 3.24Å; L3-V5 VanDerWaalsContact O-N 3.11Å
4P56.2Low64.9Low120 Ų120122.3 Ų122.378%0.77969%0.692SS**  trans-70.2111173.127.9-30.9000108.4S6P4-S6 PolarHBondContact O-N 2.89Å
5V55.5Low66.6Low133 Ų133121.8 Ų121.881%0.80669%0.686SS**  trans-62.6103.1169.1175.40000107L3 W7L3-V5 PolarHBondContact O-N 3.24Å; L3-V5 VanDerWaalsContact O-N 3.11Å; V5-W7 PolarHBondContact O-N 3.11Å
6S59.3Low68.3Low95 Ų95116.8 Ų116.866%0.66467%0.669SS**  trans-61.2105.1177.7175.50000109.5P4 A8P4-S6 PolarHBondContact O-N 2.89Å; S6-A8 PolarHBondContact O-N 3.08Å; S6-A8 WeakPolarHBondContact OG-CB 3.23Å
7W54.7Low69.8Low227 Ų227113.9 Ų113.986%0.8666%0.657SS**  trans-74.435.5173.4-151.5-65.3000111.8V5 P9V5-W7 PolarHBondContact O-N 3.11Å; W7-P9 VanDerWaalsContact O-CD 3.23Å; W7-P9 WeakPolarHBondContact O-CD 3.4Å
8A57.7Low71.2Confident47 Ų47111 Ų11139%0.38864%0.644SS.*  trans-84.116.8170.800000117S6S6-A8 PolarHBondContact O-N 3.08Å; S6-A8 WeakPolarHBondContact OG-CB 3.23Å
9P66.7Low72.5Confident69 Ų69108.3 Ų108.345%0.44864%0.636SS.*Hα-helixtrans-64-47.5177.3-10.920.4000115.1W7 A11 L12 W13W7-P9 VanDerWaalsContact O-CD 3.23Å; W7-P9 WeakPolarHBondContact O-CD 3.4Å; P9-A11 PolarHBondContact O-N 3.38Å; P9-L12 PolarHBondContact O-N 2.94Å; P9-W13 VanDerWaalsContact O-CD1 3.24Å; P9-W13 PolarHBondContact O-N 2.92Å
10P72.4Confident73.7Confident75 Ų75109.3 Ų109.349%0.48764%0.637SS.*Hα-helixtrans-72.2-34.2-163.225.8-32.5000113L12 W13 V14P10-L12 PolarHBondContact O-N 3.35Å; P10-W13 PolarHBondContact O-N 2.95Å; P10-V14 VanDerWaalsContact O-CG2 3.29Å; P10-V14 WeakPolarHBondContact O-CG2 3.33Å; P10-V14 PolarHBondContact O-N 3.33Å
11A75.7Confident74.8Confident58 Ų58109.6 Ų109.648%0.47964%0.636SS.*Hα-helixtrans-65.9-38.2178.700000112.1P9 V14 L15P9-A11 PolarHBondContact O-N 3.38Å; A11-V14 PolarHBondContact O-N 2.88Å; A11-L15 WeakPolarHBondContact O-CB 3.05Å; A11-L15 WeakPolarHBondContact O-CD1 3.45Å; A11-L15 VanDerWaalsContact O-CG 3.27Å; A11-L15 WeakPolarHBondContact O-CG 3.34Å; A11-L15 PolarHBondContact O-N 3.29Å
12L80.6Confident77.5Confident120 Ų120103.8 Ų103.863%0.62861%0.609SS**Hα-helixtrans-67.8-38.1176.4-69.1173.1000111.9P9 P10 L15 G16P9-L12 PolarHBondContact O-N 2.94Å; P10-L12 PolarHBondContact O-N 3.35Å; L12-L15 PolarHBondContact O-N 3.22Å; L12-G16 PolarHBondContact O-N 3.26Å
13W87.6Confident79.6Confident192 Ų192103.8 Ų103.873%0.72760%0.597SS**Hα-helixtrans-64.1-43.7172.9-84.195.7000112P9 P10 G16 C17P9-W13 VanDerWaalsContact O-CD1 3.24Å; P9-W13 PolarHBondContact O-N 2.92Å; P10-W13 PolarHBondContact O-N 2.95Å; W13-G16 PolarHBondContact O-N 3.41Å; W13-C17 WeakPolarHBondContact O-CB 3.41Å; W13-C17 PolarHBondContact O-N 3.43Å; W13-C17 PolarHBondContact O-SG 2.85Å
14V91.8Very high81.5Confident91 Ų91100.8 Ų100.855%0.55258%0.581SS**Hα-helixtrans-63.2-45.8176.3172.90000110.9P10 A11 G16 C17 C18P10-V14 VanDerWaalsContact O-CG2 3.29Å; P10-V14 WeakPolarHBondContact O-CG2 3.33Å; P10-V14 PolarHBondContact O-N 3.33Å; A11-V14 PolarHBondContact O-N 2.88Å; V14-G16 VanDerWaalsContact C-N 3.33Å; V14-G16 PolarHBondContact O-N 3.13Å; V14-C17 PolarHBondContact O-N 3.4Å; V14-C18 WeakPolarHBondContact O-CB 3.47Å; V14-C18 PolarHBondContact O-N 2.9Å; V14-C18 PolarHBondContact O-SG 3.31Å
15L91.5Very high83.5Confident115 Ų115103.7 Ų103.760%0.60258%0.576SS**Hα-helixtrans-60.5-41.9175.7-75.9159.4000111.8A11 L12 C18 A19A11-L15 WeakPolarHBondContact O-CB 3.05Å; A11-L15 WeakPolarHBondContact O-CD1 3.45Å; A11-L15 VanDerWaalsContact O-CG 3.27Å; A11-L15 WeakPolarHBondContact O-CG 3.34Å; A11-L15 PolarHBondContact O-N 3.29Å; L12-L15 PolarHBondContact O-N 3.22Å; L15-C18 PolarHBondContact O-N 2.94Å; L15-A19 WeakPolarHBondContact O-CB 3.41Å; L15-A19 PolarHBondContact O-N 3.47Å
16G93.6Very high85.4Confident41 Ų4199.8 Ų99.842%0.42356%0.559SS.*Hα-helixtrans-62.5-45.3174.600000112.5L12 W13 V14 A19 L20L12-G16 PolarHBondContact O-N 3.26Å; W13-G16 PolarHBondContact O-N 3.41Å; V14-G16 VanDerWaalsContact C-N 3.33Å; V14-G16 PolarHBondContact O-N 3.13Å; G16-A19 PolarHBondContact O-N 2.82Å; G16-L20 WeakPolarHBondContact O-CB 3.21Å; G16-L20 PolarHBondContact O-N 3.22Å
17C93.8Very high87.2Confident69 Ų69100.6 Ų100.647%0.46656%0.555SS.*Hα-helixtrans-62.1-43.8174.5-77.10000111.9W13 V14 L20 L21W13-C17 WeakPolarHBondContact O-CB 3.41Å; W13-C17 PolarHBondContact O-N 3.43Å; W13-C17 PolarHBondContact O-SG 2.85Å; V14-C17 PolarHBondContact O-N 3.4Å; C17-L20 PolarHBondContact O-N 2.88Å; C17-L21 WeakPolarHBondContact O-CB 3.22Å; C17-L21 VanDerWaalsContact O-CG 3.3Å; C17-L21 WeakPolarHBondContact O-CG 3.41Å; C17-L21 PolarHBondContact O-N 3.39Å
18C94.2Very high89.2Confident61 Ų6192.5 Ų92.541%0.41253%0.532SS..Hα-helixtrans-61.3-45.5175.4-710000111.3V14 L15 L20 L21 L22V14-C18 WeakPolarHBondContact O-CB 3.47Å; V14-C18 PolarHBondContact O-N 2.9Å; V14-C18 PolarHBondContact O-SG 3.31Å; L15-C18 PolarHBondContact O-N 2.94Å; C18-L20 VanDerWaalsContact C-N 3.33Å; C18-L20 PolarHBondContact O-N 3.15Å; C18-L21 PolarHBondContact O-N 3.42Å; C18-L22 WeakPolarHBondContact O-CB 3.33Å; C18-L22 WeakPolarHBondContact O-CG 3.31Å; C18-L22 PolarHBondContact O-N 3.49Å
19A96Very high90.8Very high60 Ų6092.4 Ų92.450%0.49653%0.527SS..Hα-helixtrans-61-40.8176.300000112.1L15 G16 S23L15-A19 WeakPolarHBondContact O-CB 3.41Å; L15-A19 PolarHBondContact O-N 3.47Å; G16-A19 PolarHBondContact O-N 2.82Å; A19-S23 VanDerWaalsContact O-CB 3.26Å; A19-S23 WeakPolarHBondContact O-CB 3.4Å; A19-S23 PolarHBondContact O-N 3.48Å
20L96.8Very high92.1Very high127 Ų12791.1 Ų91.167%0.66552%0.522SS*.Hα-helixtrans-64.7-45.8177.2-162.188.5000111.8G16 C17 C18 S23 L24G16-L20 WeakPolarHBondContact O-CB 3.21Å; G16-L20 PolarHBondContact O-N 3.22Å; C17-L20 PolarHBondContact O-N 2.88Å; C18-L20 VanDerWaalsContact C-N 3.33Å; C18-L20 PolarHBondContact O-N 3.15Å; L20-S23 PolarHBondContact O-N 3.07Å; L20-L24 WeakPolarHBondContact O-CB 3.33Å; L20-L24 PolarHBondContact O-N 2.76Å
21L96.9Very high93.1Very high117 Ų11790.3 Ų90.361%0.61352%0.517SS*.Hα-helixtrans-63.4-43.5178.3-71.6171.5000111.5C17 C18 L24 W25C17-L21 WeakPolarHBondContact O-CB 3.22Å; C17-L21 VanDerWaalsContact O-CG 3.3Å; C17-L21 WeakPolarHBondContact O-CG 3.41Å; C17-L21 PolarHBondContact O-N 3.39Å; C18-L21 PolarHBondContact O-N 3.42Å; L21-L24 PolarHBondContact O-N 3.18Å; L21-W25 WeakPolarHBondContact O-CB 3.27Å; L21-W25 PolarHBondContact O-N 3.09Å
22L96.8Very high93.8Very high120 Ų12096.8 Ų96.863%0.62853%0.529SS*.Hα-helixtrans-64.7-41.5176.3-69.3172.6000111.7C18 W25 A26C18-L22 WeakPolarHBondContact O-CB 3.33Å; C18-L22 WeakPolarHBondContact O-CG 3.31Å; C18-L22 PolarHBondContact O-N 3.49Å; L22-W25 PolarHBondContact O-N 2.84Å; L22-A26 WeakPolarHBondContact O-CB 3.34Å; L22-A26 PolarHBondContact O-N 2.98Å
23S96.5Very high94.1Very high78 Ų78100.4 Ų100.455%0.54554%0.535SS..Hα-helixtrans-61.2-46.8174.9178.10000111.7A19 L20 W25 A26 L27A19-S23 VanDerWaalsContact O-CB 3.26Å; A19-S23 WeakPolarHBondContact O-CB 3.4Å; A19-S23 PolarHBondContact O-N 3.48Å; L20-S23 PolarHBondContact O-N 3.07Å; S23-W25 VanDerWaalsContact C-N 3.33Å; S23-W25 PolarHBondContact O-N 3.32Å; S23-A26 PolarHBondContact O-N 2.89Å; S23-L27 WeakPolarHBondContact O-CB 3.48Å; S23-L27 PolarHBondContact O-N 2.72Å
24L97.6Very high94Very high102 Ų10298.5 Ų98.553%0.53453%0.532SS..Hα-helixtrans-62.7-41.6177.2-174.863.2000111.3L20 L21 L27 C28L20-L24 WeakPolarHBondContact O-CB 3.33Å; L20-L24 PolarHBondContact O-N 2.76Å; L21-L24 PolarHBondContact O-N 3.18Å; L24-L27 PolarHBondContact O-N 3.4Å; L24-C28 VanDerWaalsContact O-CB 3.29Å; L24-C28 WeakPolarHBondContact O-CB 3.42Å; L24-C28 PolarHBondContact O-N 2.89Å; L24-C28 PolarHBondContact O-SG 2.97Å; L24-C28 VanDerWaalsContact O-SG 3.34Å
25W97.6Very high93.5Very high180 Ų180102.9 Ų102.968%0.68254%0.538SS*.Hα-helixtrans-64.1-44176.9-166.184.2000112L21 L22 S23 L27 C28 T29L21-W25 WeakPolarHBondContact O-CB 3.27Å; L21-W25 PolarHBondContact O-N 3.09Å; L22-W25 PolarHBondContact O-N 2.84Å; S23-W25 VanDerWaalsContact C-N 3.33Å; S23-W25 PolarHBondContact O-N 3.32Å; W25-L27 VanDerWaalsContact C-N 3.34Å; W25-L27 PolarHBondContact O-N 3.2Å; W25-C28 PolarHBondContact O-N 3.1Å; W25-T29 HydrophobicContact CD2-CG2 4.02Å; W25-T29 HydrophobicContact CE3-CG2 4.13Å; W25-T29 HydrophobicContact CH2-CG2 4.2Å; W25-T29 HydrophobicContact CZ2-CG2 4.09Å; W25-T29 HydrophobicContact CZ3-CG2 4.22Å; W25-T29 VanDerWaalsContact O-CG2 3.3Å; W25-T29 WeakPolarHBondContact O-CG2 3.45Å; W25-T29 PolarHBondContact O-N 3.36Å; W25-T29 PolarHBondContact O-OG1 3.44Å
26A96.7Very high92.9Very high52 Ų5299.4 Ų99.443%0.4353%0.526SS..Hα-helixtrans-60.6-42.7173.700000111.7L22 S23 T29 A30L22-A26 WeakPolarHBondContact O-CB 3.34Å; L22-A26 PolarHBondContact O-N 2.98Å; S23-A26 PolarHBondContact O-N 2.89Å; A26-T29 WeakPolarHBondContact CA-OG1 3.29Å; A26-T29 PolarHBondContact O-N 3.34Å; A26-T29 PolarHBondContact O-OG1 3.4Å; A26-A30 VanDerWaalsContact O-CB 3.27Å; A26-A30 WeakPolarHBondContact O-CB 3.34Å; A26-A30 PolarHBondContact O-N 3.03Å
27L96.6Very high92Very high111 Ų111107 Ų10758%0.58154%0.542SS*.Hα-helixtrans-67.9-40.5178-157.171.2000111.6S23 L24 W25 A30 C31S23-L27 WeakPolarHBondContact O-CB 3.48Å; S23-L27 PolarHBondContact O-N 2.72Å; L24-L27 PolarHBondContact O-N 3.4Å; W25-L27 VanDerWaalsContact C-N 3.34Å; W25-L27 PolarHBondContact O-N 3.2Å; L27-A30 PolarHBondContact O-N 3Å; L27-C31 VanDerWaalsContact O-CB 3.25Å; L27-C31 WeakPolarHBondContact O-CB 3.36Å; L27-C31 PolarHBondContact O-N 2.99Å; L27-C31 PolarHBondContact O-SG 3.28Å
28C95.6Very high91.1Very high58 Ų58113.3 Ų113.339%0.39256%0.556SS.*Hα-helixtrans-64.6-43.5175.5-79.30000112.1L24 W25 C31 R32L24-C28 VanDerWaalsContact O-CB 3.29Å; L24-C28 WeakPolarHBondContact O-CB 3.42Å; L24-C28 PolarHBondContact O-N 2.89Å; L24-C28 PolarHBondContact O-SG 2.97Å; L24-C28 VanDerWaalsContact O-SG 3.34Å; W25-C28 PolarHBondContact O-N 3.1Å; C28-C31 PolarHBondContact O-N 2.98Å; C28-R32 WeakPolarHBondContact O-CB 3.42Å; C28-R32 VanDerWaalsContact O-CG 3.32Å; C28-R32 WeakPolarHBondContact O-CG 3.31Å; C28-R32 PolarHBondContact O-N 3.11Å
29T92.9Very high90.1Very high44 Ų44117 Ų11727%0.2757%0.567SS.*Hα-helixtrans-67.5-40.8177.255.30000111.2W25 A26 R32 R33W25-T29 HydrophobicContact CD2-CG2 4.02Å; W25-T29 HydrophobicContact CE3-CG2 4.13Å; W25-T29 HydrophobicContact CH2-CG2 4.2Å; W25-T29 HydrophobicContact CZ2-CG2 4.09Å; W25-T29 HydrophobicContact CZ3-CG2 4.22Å; W25-T29 VanDerWaalsContact O-CG2 3.3Å; W25-T29 WeakPolarHBondContact O-CG2 3.45Å; W25-T29 PolarHBondContact O-N 3.36Å; W25-T29 PolarHBondContact O-OG1 3.44Å; A26-T29 WeakPolarHBondContact CA-OG1 3.29Å; A26-T29 PolarHBondContact O-N 3.34Å; A26-T29 PolarHBondContact O-OG1 3.4Å; T29-R32 PolarHBondContact O-N 3.41Å; T29-R33 WeakPolarHBondContact O-CB 3.48Å; T29-R33 VanDerWaalsContact O-CG 3.3Å; T29-R33 WeakPolarHBondContact O-CG 3.37Å; T29-R33 PolarHBondContact O-N 3.34Å
30A92.1Very high88.8Confident42 Ų42123 Ų12335%0.34758%0.577SS.*Hα-helixtrans-62.8-4317300000112.2A26 L27 R33 K34A26-A30 VanDerWaalsContact O-CB 3.27Å; A26-A30 WeakPolarHBondContact O-CB 3.34Å; A26-A30 PolarHBondContact O-N 3.03Å; L27-A30 PolarHBondContact O-N 3Å; A30-R33 PolarHBondContact O-N 3.23Å; A30-K34 WeakPolarHBondContact O-CB 3.3Å; A30-K34 WeakPolarHBondContact O-CG 3.13Å; A30-K34 PolarHBondContact O-N 2.91Å
31C93.9Very high87.4Confident58 Ų58119.8 Ų119.839%0.39257%0.569SS.*Hα-helixtrans-64.9-42.9175.6-73.60000112.1L27 C28 K34 R35L27-C31 VanDerWaalsContact O-CB 3.25Å; L27-C31 WeakPolarHBondContact O-CB 3.36Å; L27-C31 PolarHBondContact O-N 2.99Å; L27-C31 PolarHBondContact O-SG 3.28Å; C28-C31 PolarHBondContact O-N 2.98Å; C31-K34 PolarHBondContact O-N 3.35Å; C31-R35 WeakPolarHBondContact O-CB 3.27Å; C31-R35 VanDerWaalsContact O-CG 3.31Å; C31-R35 WeakPolarHBondContact O-CG 3.37Å; C31-R35 PolarHBondContact O-N 3.48Å
32R90.8Very high86.2Confident194 Ų194124.1 Ų124.173%0.73258%0.577SS**Hα-helixtrans-63.3-42.4175.3-77.4-176.9-176.7-102.52.7111.2C28 T29 R35 A36C28-R32 WeakPolarHBondContact O-CB 3.42Å; C28-R32 VanDerWaalsContact O-CG 3.32Å; C28-R32 WeakPolarHBondContact O-CG 3.31Å; C28-R32 PolarHBondContact O-N 3.11Å; T29-R32 PolarHBondContact O-N 3.41Å; R32-R35 PolarHBondContact O-N 3.09Å; R32-A36 VanDerWaalsContact O-CB 3.24Å; R32-A36 WeakPolarHBondContact O-CB 3.41Å; R32-A36 PolarHBondContact O-N 3.16Å
33R86.1Confident85.1Confident196 Ų196124.2 Ų124.274%0.7458%0.578SS**Hα-helixtrans-61.5-44.6173.8-74.4178.9-175.8-166.92.8111.9T29 A30 A36 R37T29-R33 WeakPolarHBondContact O-CB 3.48Å; T29-R33 VanDerWaalsContact O-CG 3.3Å; T29-R33 WeakPolarHBondContact O-CG 3.37Å; T29-R33 PolarHBondContact O-N 3.34Å; A30-R33 PolarHBondContact O-N 3.23Å; R33-A36 PolarHBondContact O-N 2.9Å; R33-R37 WeakPolarHBondContact O-CB 3.31Å; R33-R37 PolarHBondContact O-N 2.9Å
34K87.1Confident83.8Confident152 Ų152127 Ų12766%0.66158%0.582SS**Hα-helixtrans-63.4-42.7176.3-76.4-177.9-179.9-1780112A30 C31 R37 R38A30-K34 WeakPolarHBondContact O-CB 3.3Å; A30-K34 WeakPolarHBondContact O-CG 3.13Å; A30-K34 PolarHBondContact O-N 2.91Å; C31-K34 PolarHBondContact O-N 3.35Å; K34-R37 PolarHBondContact O-N 2.96Å; K34-R38 WeakPolarHBondContact O-CG 3.34Å; K34-R38 PolarHBondContact O-N 2.89Å
35R80Confident82.3Confident184 Ų184124 Ų12469%0.69458%0.575SS**Hα-helixtrans-67.5-43.3176.8-72.4179.6-175.8-154.92.8111.9C31 R32 R37 R38 Q39C31-R35 WeakPolarHBondContact O-CB 3.27Å; C31-R35 VanDerWaalsContact O-CG 3.31Å; C31-R35 WeakPolarHBondContact O-CG 3.37Å; C31-R35 PolarHBondContact O-N 3.48Å; R32-R35 PolarHBondContact O-N 3.09Å; R35-R37 VanDerWaalsContact C-N 3.35Å; R35-R37 PolarHBondContact O-N 3.13Å; R35-R38 PolarHBondContact O-N 3.39Å; R35-Q39 WeakPolarHBondContact O-CB 3.12Å; R35-Q39 WeakPolarHBondContact O-CG 3.38Å; R35-Q39 PolarHBondContact O-N 3.46Å
36A78.3Confident80.5Confident41 Ų41118.6 Ų118.634%0.33957%0.565SS.*Hα-helixtrans-62.1-41.2175.400000111.7R32 R33 Q39 R40R32-A36 VanDerWaalsContact O-CB 3.24Å; R32-A36 WeakPolarHBondContact O-CB 3.41Å; R32-A36 PolarHBondContact O-N 3.16Å; R33-A36 PolarHBondContact O-N 2.9Å; A36-Q39 PolarHBondContact O-N 2.98Å; A36-R40 WeakPolarHBondContact O-CB 3.24Å; A36-R40 WeakPolarHBondContact O-CG 3.35Å; A36-R40 PolarHBondContact O-N 3.31Å
37R76.1Confident79.1Confident201 Ų201118.7 Ų118.776%0.75857%0.566SS**Hα-helixtrans-64-42.1174.1-170.1176.1-179.9-172.3-0.1111.9R33 K34 R35 R40 A41R33-R37 WeakPolarHBondContact O-CB 3.31Å; R33-R37 PolarHBondContact O-N 2.9Å; K34-R37 PolarHBondContact O-N 2.96Å; R35-R37 VanDerWaalsContact C-N 3.35Å; R35-R37 PolarHBondContact O-N 3.13Å; R37-R40 PolarHBondContact O-N 3.35Å; R37-A41 WeakPolarHBondContact O-CB 3.42Å; R37-A41 PolarHBondContact O-N 3.43Å
38R74.3Confident77.7Confident201 Ų201117.8 Ų117.876%0.75857%0.565SS**Hα-helixtrans-64.9-40.6174.6-75.1-176.3-174.7-144.21.6112.3K34 R35 A41 R42K34-R38 WeakPolarHBondContact O-CG 3.34Å; K34-R38 PolarHBondContact O-N 2.89Å; R35-R38 PolarHBondContact O-N 3.39Å; R38-A41 PolarHBondContact O-N 3.47Å; R38-R42 VanDerWaalsContact O-CB 3.29Å; R38-R42 WeakPolarHBondContact O-CB 3.34Å; R38-R42 PolarHBondContact O-N 3.08Å
39Q73Confident76.2Confident140 Ų140117.8 Ų117.865%0.65457%0.569SS**Hα-helixtrans-65.1-43.7175.6-76.8179.1-24.500111.4R35 A36 R42 L43R35-Q39 WeakPolarHBondContact O-CB 3.12Å; R35-Q39 WeakPolarHBondContact O-CG 3.38Å; R35-Q39 PolarHBondContact O-N 3.46Å; A36-Q39 PolarHBondContact O-N 2.98Å; Q39-R42 PolarHBondContact O-N 3.27Å; Q39-L43 VanDerWaalsContact O-CB 3.27Å; Q39-L43 WeakPolarHBondContact O-CB 3.46Å; Q39-L43 PolarHBondContact O-N 2.84Å
40R68.7Low75Confident184 Ų184117.9 Ų117.969%0.69458%0.575SS**Hα-helixtrans-61.6-43.6173.2-74.5179.1-179.4-174.1-0.5112.1A36 R37 L43 Q44A36-R40 WeakPolarHBondContact O-CB 3.24Å; A36-R40 WeakPolarHBondContact O-CG 3.35Å; A36-R40 PolarHBondContact O-N 3.31Å; R37-R40 PolarHBondContact O-N 3.35Å; R40-L43 PolarHBondContact O-N 3.39Å; R40-Q44 WeakPolarHBondContact O-CB 3.29Å; R40-Q44 WeakPolarHBondContact O-CG 3.3Å; R40-Q44 PolarHBondContact O-N 2.85Å
41A68.3Low73.8Confident60 Ų60122.2 Ų122.250%0.49659%0.588SS.*Hα-helixtrans-65.4-37.8175.900000112.4R37 R38 G45R37-A41 WeakPolarHBondContact O-CB 3.42Å; R37-A41 PolarHBondContact O-N 3.43Å; R38-A41 PolarHBondContact O-N 3.47Å; A41-G45 PolarHBondContact O-N 2.84Å
42R70.3Confident72.6Confident208 Ų208122 Ų12279%0.78559%0.59SS**Hα-helixtrans-70.5-38.3176.5-155.9-179.4-156-1495.2111.6R38 Q39 S46R38-R42 VanDerWaalsContact O-CB 3.29Å; R38-R42 WeakPolarHBondContact O-CB 3.34Å; R38-R42 PolarHBondContact O-N 3.08Å; Q39-R42 PolarHBondContact O-N 3.27Å; R42-S46 VanDerWaalsContact O-CB 3.31Å; R42-S46 WeakPolarHBondContact O-CB 3.4Å; R42-S46 PolarHBondContact O-N 2.9Å; R42-S46 PolarHBondContact O-OG 3.42Å; R42-S46 VanDerWaalsContact O-OG 3.1Å
43L73.9Confident71.5Confident123 Ų123116 Ų11664%0.64458%0.578SS**Hα-helixtrans-66.2-47.2174.7-166.287.5000110.8Q39 R40 S46 A47Q39-L43 VanDerWaalsContact O-CB 3.27Å; Q39-L43 WeakPolarHBondContact O-CB 3.46Å; Q39-L43 PolarHBondContact O-N 2.84Å; R40-L43 PolarHBondContact O-N 3.39Å; L43-S46 WeakPolarHBondContact CA-OG 3.43Å; L43-S46 PolarHBondContact O-N 2.83Å; L43-S46 PolarHBondContact O-OG 2.78Å; L43-A47 WeakPolarHBondContact O-CB 3.39Å; L43-A47 PolarHBondContact O-N 3.3Å
44Q70Confident70.7Confident137 Ų137111.8 Ų111.864%0.6457%0.57SS**Hα-helixtrans-64.1-44.2176.2-76.6-172.3-4.900111.7R40 S46 A47 T48R40-Q44 WeakPolarHBondContact O-CB 3.29Å; R40-Q44 WeakPolarHBondContact O-CG 3.3Å; R40-Q44 PolarHBondContact O-N 2.85Å; Q44-S46 VanDerWaalsContact C-N 3.31Å; Q44-S46 PolarHBondContact O-N 3.01Å; Q44-A47 PolarHBondContact O-N 3.4Å; Q44-T48 WeakPolarHBondContact O-CG2 3.32Å; Q44-T48 PolarHBondContact O-N 2.81Å; Q44-T48 PolarHBondContact O-OG1 2.89Å
45G65.7Low69.7Low38 Ų38110.2 Ų110.239%0.39257%0.568SS.*Hα-helixtrans-64.4-33.3175.200000113.2A41 T48 A49A41-G45 PolarHBondContact O-N 2.84Å; G45-T48 PolarHBondContact O-OG1 3.01Å; G45-A49 WeakPolarHBondContact O-CB 3.35Å; G45-A49 PolarHBondContact O-N 3.07Å; G45-A49 VanDerWaalsContact O-N 3.13Å
46S60.5Low69Low67 Ų67110.9 Ų110.947%0.46957%0.57SS.*Hα-helixtrans-74-36.2173.464.20000112.9R42 L43 Q44 A50R42-S46 VanDerWaalsContact O-CB 3.31Å; R42-S46 WeakPolarHBondContact O-CB 3.4Å; R42-S46 PolarHBondContact O-N 2.9Å; R42-S46 PolarHBondContact O-OG 3.42Å; R42-S46 VanDerWaalsContact O-OG 3.1Å; L43-S46 WeakPolarHBondContact CA-OG 3.43Å; L43-S46 PolarHBondContact O-N 2.83Å; L43-S46 PolarHBondContact O-OG 2.78Å; Q44-S46 VanDerWaalsContact C-N 3.31Å; Q44-S46 PolarHBondContact O-N 3.01Å; S46-A50 WeakPolarHBondContact O-CB 3.31Å; S46-A50 PolarHBondContact O-N 3.46Å
47A67.3Low68.6Low54 Ų54117.6 Ų117.645%0.44659%0.587SS.*Hα-helixtrans-69.7-46.2178.500000111.1L43 Q44 A50 E51L43-A47 WeakPolarHBondContact O-CB 3.39Å; L43-A47 PolarHBondContact O-N 3.3Å; Q44-A47 PolarHBondContact O-N 3.4Å; A47-A50 PolarHBondContact O-N 3.26Å; A47-E51 PolarHBondContact O-N 3.1Å
48T67Low68.2Low91 Ų91111.6 Ų111.656%0.55857%0.573SS**Hα-helixtrans-68.1-36177.957.40000112.2Q44 G45 A52Q44-T48 WeakPolarHBondContact O-CG2 3.32Å; Q44-T48 PolarHBondContact O-N 2.81Å; Q44-T48 PolarHBondContact O-OG1 2.89Å; G45-T48 PolarHBondContact O-OG1 3.01Å; T48-A52 VanDerWaalsContact O-CB 3.3Å; T48-A52 WeakPolarHBondContact O-CB 3.4Å; T48-A52 PolarHBondContact O-N 2.87Å
49A63.6Low67.5Low58 Ų58107.9 Ų107.948%0.47956%0.564SS.*Hα-helixtrans-69.9-3917400000112.4G45 S53G45-A49 WeakPolarHBondContact O-CB 3.35Å; G45-A49 PolarHBondContact O-N 3.07Å; G45-A49 VanDerWaalsContact O-N 3.13Å; A49-S53 WeakPolarHBondContact O-CB 3.37Å; A49-S53 PolarHBondContact O-N 3.41Å; A49-S53 PolarHBondContact O-OG 3.39Å
50A68.2Low66.8Low47 Ų47106.8 Ų106.839%0.38856%0.561SS.*Hα-helixtrans-66.1-43.517600000111.3S46 A47 S53 L54S46-A50 WeakPolarHBondContact O-CB 3.31Å; S46-A50 PolarHBondContact O-N 3.46Å; A47-A50 PolarHBondContact O-N 3.26Å; A50-S53 PolarHBondContact O-N 2.85Å; A50-S53 PolarHBondContact O-OG 3.3Å; A50-L54 WeakPolarHBondContact O-CB 3.46Å; A50-L54 PolarHBondContact O-N 2.81Å
51E67.7Low66.2Low132 Ų132101.5 Ų101.562%0.61755%0.552SS**Hα-helixtrans-64-44.9174.8-79.7-159.615600112.4A47 S53 L54 L55A47-E51 PolarHBondContact O-N 3.1Å; E51-S53 VanDerWaalsContact C-N 3.25Å; E51-S53 PolarHBondContact O-N 3.44Å; E51-L54 PolarHBondContact O-N 3.37Å; E51-L55 WeakPolarHBondContact O-CB 3.4Å; E51-L55 VanDerWaalsContact O-CG 3.31Å; E51-L55 WeakPolarHBondContact O-CG 3.3Å; E51-L55 PolarHBondContact O-N 3.4Å
52A68.4Low65.6Low54 Ų54102.9 Ų102.945%0.44656%0.558SS.*Hα-helixtrans-61.6-35175.600000112.3T48 R56T48-A52 VanDerWaalsContact O-CB 3.3Å; T48-A52 WeakPolarHBondContact O-CB 3.4Å; T48-A52 PolarHBondContact O-N 2.87Å; A52-R56 WeakPolarHBondContact O-CB 3.4Å; A52-R56 PolarHBondContact O-N 3.36Å
53S66.7Low64.8Low69 Ų6997.6 Ų97.648%0.48355%0.545SS..Hα-helixtrans-72-37.7175.877.80000112.7A49 A50 E51 R57A49-S53 WeakPolarHBondContact O-CB 3.37Å; A49-S53 PolarHBondContact O-N 3.41Å; A49-S53 PolarHBondContact O-OG 3.39Å; A50-S53 PolarHBondContact O-N 2.85Å; A50-S53 PolarHBondContact O-OG 3.3Å; E51-S53 VanDerWaalsContact C-N 3.25Å; E51-S53 PolarHBondContact O-N 3.44Å; S53-R57 WeakPolarHBondContact O-CB 3.27Å; S53-R57 PolarHBondContact O-N 2.8Å
54L70.6Confident63.8Low107 Ų10796.1 Ų96.156%0.5655%0.545SS*.Hα-helixtrans-66.9-46.4174.4-91.7162.2000110.9A50 E51 R56 R57 T58A50-L54 WeakPolarHBondContact O-CB 3.46Å; A50-L54 PolarHBondContact O-N 2.81Å; E51-L54 PolarHBondContact O-N 3.37Å; L54-R56 PolarHBondContact O-N 2.84Å; L54-R57 PolarHBondContact O-N 3.45Å; L54-T58 WeakPolarHBondContact O-CG2 3.29Å; L54-T58 PolarHBondContact O-N 3.5Å; L54-T58 PolarHBondContact O-OG1 2.9Å
55L66.2Low63.2Low118 Ų11898.5 Ų98.562%0.61855%0.553SS**Hα-helixtrans-63.7-39.2176.6-70171000112.3E51 T58 H59E51-L55 WeakPolarHBondContact O-CB 3.4Å; E51-L55 VanDerWaalsContact O-CG 3.31Å; E51-L55 WeakPolarHBondContact O-CG 3.3Å; E51-L55 PolarHBondContact O-N 3.4Å; L55-T58 WeakPolarHBondContact CA-OG1 3.25Å; L55-T58 PolarHBondContact O-OG1 3.34Å; L55-H59 WeakPolarHBondContact O-CB 3.21Å; L55-H59 PolarHBondContact O-N 2.87Å; L55-H59 VanDerWaalsContact O-N 3.1Å
56R65Low62.7Low199 Ų199100.8 Ų100.875%0.75156%0.563SS**Hα-helixtrans-65.4-41.9171.2-89.6-175.6173.9170.4-0.8112A52 L54 H59 L60A52-R56 WeakPolarHBondContact O-CB 3.4Å; A52-R56 PolarHBondContact O-N 3.36Å; L54-R56 PolarHBondContact O-N 2.84Å; R56-H59 PolarHBondContact O-N 2.82Å; R56-L60 VanDerWaalsContact O-CG 3.27Å; R56-L60 WeakPolarHBondContact O-CG 3.47Å; R56-L60 PolarHBondContact O-N 2.84Å
57R69.6Low62.6Low182 Ų182102.3 Ų102.369%0.68757%0.566SS**Hα-helixtrans-67.4-41.6-179.4-171173.6-175.8177.51.1111.5S53 L54 L60 C61S53-R57 WeakPolarHBondContact O-CB 3.27Å; S53-R57 PolarHBondContact O-N 2.8Å; L54-R57 PolarHBondContact O-N 3.45Å; R57-L60 PolarHBondContact O-N 2.99Å; R57-C61 WeakPolarHBondContact O-CB 3.39Å; R57-C61 PolarHBondContact O-N 3.23Å; R57-C61 PolarHBondContact O-SG 2.91Å
58T67.5Low61.9Low75 Ų75105.7 Ų105.746%0.4658%0.581SS.*Hα-helixtrans-63.2-43.217554.30000110.9L54 L55 L60 C61 S62L54-T58 WeakPolarHBondContact O-CG2 3.29Å; L54-T58 PolarHBondContact O-N 3.5Å; L54-T58 PolarHBondContact O-OG1 2.9Å; L55-T58 WeakPolarHBondContact CA-OG1 3.25Å; L55-T58 PolarHBondContact O-OG1 3.34Å; T58-L60 PolarHBondContact O-N 3.47Å; T58-C61 PolarHBondContact O-N 3.46Å; T58-S62 WeakPolarHBondContact O-CB 3.39Å; T58-S62 PolarHBondContact O-N 3.07Å; T58-S62 PolarHBondContact O-OG 3.29Å
59H60Low61.2Low123 Ų123110.5 Ų110.557%0.56959%0.589SS**Hα-helixtrans-62.4-42176.3-163.8-91000112.9L55 R56 S62 L63L55-H59 WeakPolarHBondContact O-CB 3.21Å; L55-H59 PolarHBondContact O-N 2.87Å; L55-H59 VanDerWaalsContact O-N 3.1Å; R56-H59 PolarHBondContact O-N 2.82Å; H59-S62 PolarHBondContact O-N 3.13Å; H59-L63 WeakPolarHBondContact O-CG 3.49Å; H59-L63 PolarHBondContact O-N 3.04Å; H59-L63 VanDerWaalsContact O-N 3.13Å
60L58Low60.8Low116 Ų116113 Ų11361%0.60759%0.594SS**Hα-helixtrans-69.7-36.6176.7-67.9172.5000112.4R56 R57 T58 S62 L63 S64R56-L60 VanDerWaalsContact O-CG 3.27Å; R56-L60 WeakPolarHBondContact O-CG 3.47Å; R56-L60 PolarHBondContact O-N 2.84Å; R57-L60 PolarHBondContact O-N 2.99Å; T58-L60 PolarHBondContact O-N 3.47Å; L60-S62 VanDerWaalsContact C-N 3.35Å; L60-L63 PolarHBondContact O-N 2.92Å; L60-S64 WeakPolarHBondContact O-CB 3.36Å; L60-S64 PolarHBondContact O-N 2.86Å
61C56.4Low59.9Low74 Ų74118.2 Ų118.250%0.561%0.61SS.*Hα-helixtrans-69.3-31.2174.4-70.80000112.7R57 T58R57-C61 WeakPolarHBondContact O-CB 3.39Å; R57-C61 PolarHBondContact O-N 3.23Å; R57-C61 PolarHBondContact O-SG 2.91Å; T58-C61 PolarHBondContact O-N 3.46Å
62S54.8Low59.2Low88 Ų88118 Ų11862%0.61561%0.609SS**Hα-helixtrans-69.9-36.7173.5-61.40000112.4T58 H59 L60T58-S62 WeakPolarHBondContact O-CB 3.39Å; T58-S62 PolarHBondContact O-N 3.07Å; T58-S62 PolarHBondContact O-OG 3.29Å; H59-S62 PolarHBondContact O-N 3.13Å; L60-S62 VanDerWaalsContact C-N 3.35Å
63L54.7Low58.6Low97 Ų97122 Ų12251%0.50862%0.622SS.*Hα-helixtrans-77.1-31.2175.4-67.3174.5000112.9H59 L60 K65 S66H59-L63 WeakPolarHBondContact O-CG 3.49Å; H59-L63 PolarHBondContact O-N 3.04Å; H59-L63 VanDerWaalsContact O-N 3.13Å; L60-L63 PolarHBondContact O-N 2.92Å; L63-K65 PolarHBondContact O-N 3.47Å; L63-S66 PolarHBondContact O-OG 3.46Å
64S52.7Low57.7Low92 Ų92126.9 Ų126.964%0.64364%0.637SS**THydrogen-bonded Turntrans-71.4-12.2-178.6-179.10000114L60L60-S64 WeakPolarHBondContact O-CB 3.36Å; L60-S64 PolarHBondContact O-N 2.86Å
65K55.5Low56.5Low188 Ų188133.4 Ų133.482%0.81765%0.654SS**THydrogen-bonded Turntrans-99.9-7.4-173.7-128.5170.8-177.1166.90114.5L63L63-K65 PolarHBondContact O-N 3.47Å
66S56.2Low55.5Low86 Ų86130.8 Ų130.860%0.60166%0.656SS**SBendtrans-97.9-5.2177.4490000114.3L63L63-S66 PolarHBondContact O-OG 3.46Å
67D58Low54.9Low99 Ų99127.4 Ų127.453%0.52966%0.66SS.*  trans-109.820.8-161.1-126.36.1000116.4R69 L70D67-R69 PolarHBondContact O-N 3.33Å; D67-L70 WeakPolarHBondContact OD1-CD1 3.44Å; D67-L70 WeakPolarHBondContact OD1-CG 3.3Å
68T53.7Low54Low125 Ų125130.6 Ų130.677%0.76767%0.672SS**THydrogen-bonded Turntrans-80.24.3171.858.30000113.4
69R51.8Low53Low192 Ų192133.1 Ų133.173%0.72569%0.692SS**THydrogen-bonded Turntrans-115.73.6-176.9-126.8-171.9176.7-159.11.3116D67 E72D67-R69 PolarHBondContact O-N 3.33Å; R69-E72 IonicContact NE-OE2 3.77Å
70L54.4Low52.2Low111 Ų111132 Ų13258%0.58170%0.698SS**SBendtrans-87.3-13174.5-75.1-176.5000114.4D67D67-L70 WeakPolarHBondContact OD1-CD1 3.44Å; D67-L70 WeakPolarHBondContact OD1-CG 3.3Å
71H49.8Very low51.9Low155 Ų155137.6 Ų137.672%0.71871%0.711SS**SBendtrans-77.5-24.6175.3125.131.6000112.3L73H71-L73 VanDerWaalsContact C-N 3.3Å; H71-L73 PolarHBondContact O-N 3.4Å
72E53.8Low51.9Low127 Ų127139 Ų13959%0.59373%0.728SS**G310 helixtrans-75.3-15.6-173.9-71.8-176.9152.600113.7R69R69-E72 IonicContact NE-OE2 3.77Å
73L55.8Low52Low139 Ų139142 Ų14273%0.72874%0.736SS**G310 helixtrans-84.9-4.3-178.1-78.2162.9000114.9H71H71-L73 VanDerWaalsContact C-N 3.3Å; H71-L73 PolarHBondContact O-N 3.4Å
74H46.9Very low52.1Low172 Ų172148.1 Ų148.180%0.79675%0.753SS**G310 helixtrans-111.313.1-173.9-101.8-68.2000116.4
75R45.3Very low52.1Low243 Ų243148.2 Ų148.292%0.91775%0.751SS**  trans-107.162.8168.2-72.1-145.5174.8161.71.1112.5
76G44.9Very low52.2Low64 Ų64144.3 Ų144.366%0.6675%0.754SS**  trans-92.6144.7160.700000111.3
77P52.3Low52.3Low128 Ų128144.8 Ų144.883%0.83176%0.757SS**  trans-81.8129.7-174.71.217000112.1
78R51.9Low52Low249 Ų249147.4 Ų147.494%0.9477%0.768SS**SBendtrans59.3140.8159.6-79.3-176.7169.2-158.2-2.1118.7
79S45.1Very low52.4Low127 Ų127148.5 Ų148.589%0.88877%0.769SS**  trans87.294.6163-161.20000116.5
80S43.6Very low52.7Low100 Ų100147.1 Ų147.170%0.69978%0.775SS**  -162.8112.9127.3-171.10000108.9A82S80-A82 PolarHBondContact O-N 2.83Å
81R51.5Low52.7Low233 Ų233149.9 Ų149.988%0.87979%0.79SS**  trans-50.7130.2164.6-141.3175.3-158.1-164.73.8106.9L83R81-L83 PolarHBondContact O-N 2.92Å
82A57.5Low52.4Low103 Ų103153.5 Ų153.585%0.85180%0.797SS**  trans-54.395.7-179.700000111.4S80 R84S80-A82 PolarHBondContact O-N 2.83Å; A82-R84 PolarHBondContact O-N 3.48Å
83L55.9Low52.2Low151 Ų151152 Ų15279%0.79180%0.798SS**  trans-79.2104.9166.1-83.7118.8000106.5R81R81-L83 PolarHBondContact O-N 2.92Å
84R58.4Low51.6Low227 Ų227153.6 Ų153.686%0.85780%0.802SS**  trans-59140.4165.4-79.8-160.2-170.6141.50.1108.8A82 A86A82-R84 PolarHBondContact O-N 3.48Å; R84-A86 PolarHBondContact O-N 3.39Å
85P52Low51.5Low94 Ų94156.3 Ų156.361%0.6181%0.805SS**  trans-59.7131172.1-19.630.7000110.6S87P85-S87 PolarHBondContact O-N 3.34Å
86A56.6Low51.5Low105 Ų105152.3 Ų152.387%0.86880%0.801SS**THydrogen-bonded Turntrans-71.527.517700000113.7R84R84-A86 PolarHBondContact O-N 3.39Å
87S60.2Low51.4Low96 Ų96158.4 Ų158.467%0.67181%0.812SS**THydrogen-bonded Turntrans-109.87.8178.558.90000113.3P85P85-S87 PolarHBondContact O-N 3.34Å
88M50.2Low50.8Low155 Ų155159 Ų15976%0.76481%0.814SS**SBendtrans-100.75.7176.4-77.9-91.25500114.9
89D63.2Low50Low147 Ų147151.5 Ų151.579%0.78680%0.799SS**  trans-10736.2-178.1-73.9-26000113.9
90L57.5Low49.7Very low163 Ų163156 Ų15685%0.85380%0.796SS**  trans-127.687.7166.5-71.1174.6000109.5
91L54.1Low49.2Very low170 Ų170158.3 Ų158.389%0.8980%0.801SS**  trans176.470.2142.3-90.8165.3000107.8P93L91-P93 WeakPolarHBondContact O-CD 3.45Å
92R43.5Very low48.7Very low231 Ų231155.4 Ų155.487%0.87280%0.801SS**  trans-10595.3161.3-166.2173.5-166.5-178.92.2107.7H94R92-H94 PolarHBondContact O-N 2.8Å; R92-H94 VanDerWaalsContact O-N 3.07Å
93P50.2Low47.8Very low94 Ų94157.1 Ų157.161%0.6180%0.801SS**  trans-70.8105.517027.6-29.6000108L91 W95L91-P93 WeakPolarHBondContact O-CD 3.45Å; P93-W95 PolarHBondContact O-N 3.12Å
94H43.4Very low46.7Very low173 Ų173153 Ų15380%0.80180%0.795SS**  trans-74.879.9167.162.2-76.2000107.4R92R92-H94 PolarHBondContact O-N 2.8Å; R92-H94 VanDerWaalsContact O-N 3.07Å
95W43.3Very low46Very low230 Ų230148.1 Ų148.187%0.87179%0.793SS**  trans-69.9130.4160.5-82.286000107.3P93P93-W95 PolarHBondContact O-N 3.12Å
96L46.3Very low45.4Very low159 Ų159152.9 Ų152.983%0.83281%0.807SS**  trans91.378.7161.6-133.692.1000117.1
97E43.4Very low44.2Very low192 Ų192152.8 Ų152.890%0.89781%0.806SS**  trans-150.175.2143.4-147.2116.6-142.300109.7S99E97-S99 PolarHBondContact O-N 3.01Å
98V38.1Very low43.1Very low141 Ų141152.7 Ų152.786%0.85581%0.811SS**  trans-72.9110.8158.9165.90000106.5
99S35.5Very low43Very low90 Ų90151.3 Ų151.363%0.62981%0.813SS**  trans-171.7117142.2-87.10000112.5E97E97-S99 PolarHBondContact O-N 3.01Å
100R38.6Very low41.5Very low221 Ų221149.7 Ų149.783%0.83481%0.814SS**  trans53.4113.9133.7-63.5177173.4148.2-1.3117.3
101D34.1Very low40.2Very low150 Ų150146.3 Ų146.380%0.80281%0.809SS**  -173.395.7113.1-82.4-23.7000110.1
102I41Very low39.5Very low172 Ų172148 Ų14888%0.88281%0.81SS**  trans-119.8107.1154.8-61.6-179.5000105.5
103T38.8Very low39.9Very low139 Ų139142 Ų14285%0.85380%0.801SS**  trans-80.7119.3175.2-58.60000110.4
104G32.4Very low39Very low63 Ų63146.2 Ų146.265%0.64981%0.812SS**  trans123.3148.4140.400000116.8
105P43.8Very low38.5Very low126 Ų126146.4 Ų146.482%0.81881%0.813SS**  cis-128.5159.2-34.234.9-18.3000113.8
106Q39.1Very low38Very low194 Ų194143.5 Ų143.591%0.90781%0.809SS**  trans11.8121.9157.3-72-13446.600121.6
107A32.4Very low37.9Very low102 Ų102143.3 Ų143.384%0.84381%0.808SS**  -172135.9117.700000110.1
108A36.9Very low37.9Very low94 Ų94140.1 Ų140.178%0.77780%0.804SS**  trans-118.7179.7172.500000108.7
109P48Very low37.8Very low126 Ų126144.1 Ų144.182%0.81880%0.804SS**  cis-126.9-178.4-24.833.5-14.8000111.2
110S32.2Very low37.4Very low113 Ų113144.7 Ų144.779%0.7981%0.814SS**  trans153.9105.6149.5-178.50000111
111A30.1Very low37.4Very low92 Ų92141.6 Ų141.676%0.7681%0.813SS**  73107.8100.200000115.2
112F37.9Very low37.9Very low206 Ų206140 Ų14090%0.90481%0.811SS**  trans-61.4174.4160.4-57.9-89.2000110.6
113P52.1Low37.4Very low106 Ų106136 Ų13669%0.68880%0.803SS**  cis-143.1-166.92.535.6-11.3000115.3
114H31.9Very low37.1Very low182 Ų182133.9 Ų133.984%0.84380%0.8SS**  trans63.8121145.6-92.4-72.5000122.3
115Q32.8Very low37.2Very low177 Ų177135.9 Ų135.983%0.82781%0.81SS**  trans-149.596.4151.2-152.9166.843.600107.8
116E33.5Very low36.8Very low169 Ų169134.4 Ų134.479%0.7981%0.809SS**  87.3119.989.7-99.6-172.813800113.6
117L43.1Very low36.6Very low154 Ų154132 Ų13281%0.80681%0.807SS**  trans-106.7139.4172178.3123.9000107.7
118P44.8Very low36.8Very low125 Ų125131.7 Ų131.781%0.81281%0.805SS**  trans-126.297.7152.77.714.8000113.2
119R34.3Very low36.5Very low226 Ų226130.3 Ų130.385%0.85380%0.8SS**  20.5121.4126.9-177.2163.8-88.6154-6.6119.1
120A28.2Very low35.8Very low101 Ų101130.5 Ų130.584%0.83580%0.803SS**  trans-150.9122.7136.200000110.3
121L38.4Very low36.1Very low157 Ų157130.1 Ų130.182%0.82281%0.807SS**  trans-128.3136.4167-179.873.5000107
122P43.9Very low36.4Very low117 Ų117128.7 Ų128.776%0.7680%0.801SS**  -126125.212516.62.3000109.8
123A31.5Very low36.7Very low86 Ų86127 Ų12771%0.71180%0.801SS**  59.4120.4102.300000112.7
124A32Very low36.6Very low95 Ų95130.6 Ų130.679%0.78581%0.808SS**  cis-163.3159.222.500000110.9
125A33.8Very low37.2Very low105 Ų105126.3 Ų126.387%0.86880%0.804SS**  trans58.6115.5162.900000116.8
126A36.5Very low38.1Very low96 Ų96123.6 Ų123.679%0.79380%0.8SS**  cis-147.7127.226.500000110.2
127T34.4Very low38.7Very low142 Ų142126.2 Ų126.287%0.87180%0.804SS**  trans-47150.3148.3320000110.2
128A37Very low39.1Very low97 Ų97124.2 Ų124.280%0.80280%0.803SS**  cis-178.2145.4-6.500000102.6
129G29.3Very low39.5Very low65 Ų65126.1 Ų126.167%0.6781%0.807SS**  cis-171.5-177.4200000109.8
130C35Very low40.2Very low129 Ų129122.3 Ų122.387%0.87281%0.808SS**  trans5690.1153.2-57.70000117.1
131A38.3Very low41.3Very low105 Ų105120.7 Ų120.787%0.86880%0.801SS**  -28.2143.3122.500000112.4
132G35.5Very low41.6Very low63 Ų63121.4 Ų121.465%0.64981%0.805SS**  cis179.6163.90.900000105.7
133L44.4Very low41.6Very low171 Ų171120.6 Ų120.690%0.89581%0.808SS**  trans-150.2113.8144.1-136.499.7000108.1A135L133-A135 PolarHBondContact O-N 3.3Å
134E49.4Very low42.2Very low181 Ų181120.9 Ų120.985%0.84681%0.811SS**  trans-35.8112.3164.6-156.280.1155.500111.6
135A44.7Very low42.8Very low92 Ų92123.9 Ų123.976%0.7681%0.813SS**  trans-146.381.8167.500000109.4L133L133-A135 PolarHBondContact O-N 3.3Å
136T53.3Low43.3Very low119 Ų119124.9 Ų124.973%0.7381%0.81SS**  trans-5.5118142.8-49.80000115
137Y44.8Very low43.6Very low224 Ų224123.7 Ų123.788%0.87881%0.808SS**SBendtrans53.9104.2158.2-80.5-103000118.2
138S51.5Low43.6Very low112 Ų112124 Ų12478%0.78381%0.809SS**  155.175.6125.3-179.90000110.8
139N53.1Low44Very low166 Ų166124.8 Ų124.889%0.88881%0.808SS**  trans-83.6107.3155.2-65.9-51.2000107.2
140V49.6Very low44.5Very low145 Ų145129.8 Ų129.888%0.87982%0.819SS**  trans-168117131.3-1760000107.3
141G52.1Low45.1Very low68 Ų68128.4 Ų128.470%0.70182%0.817SS**SBendtrans126.5104.9155.700000114.7
142L44.3Very low45.1Very low172 Ų172127.8 Ų127.890%0.90181%0.812SS**  trans98.163.1161.5-55.6160.8000117
143A42.6Very low45.5Very low99 Ų99130.1 Ų130.182%0.81882%0.818SS**  trans-83.295.4140.400000107.9L145A143-L145 PolarHBondContact O-N 3.34Å
144A44.7Very low45.4Very low93 Ų93127.2 Ų127.277%0.76981%0.809SS**  trans-76.2103.9169.500000108.6
145L45.3Very low45.3Very low158 Ų158125.3 Ų125.383%0.82781%0.81SS**  trans-73.7140.2166.4-69172.9000109.4A143A143-L145 PolarHBondContact O-N 3.34Å
146P43.8Very low45.4Very low125 Ų125126.7 Ų126.781%0.81281%0.808SS**  trans-82.6132.5-177.132.5-30.9000111.2
147G43.3Very low45.3Very low72 Ų72124.4 Ų124.474%0.74280%0.802SS**  trans99.9105.1156.100000115.6
148V34.5Very low45.4Very low149 Ų149121.2 Ų121.290%0.90380%0.795SS**  -157.6129.6110.4179.40000107.3
149S45.5Very low45Very low112 Ų112125.9 Ų125.978%0.78380%0.797SS**  trans-64.7128.3180-165.40000112.1
150L40.1Very low45.1Very low170 Ų170122.1 Ų122.189%0.8979%0.789SS**  trans-138.8118.4154.9-142.388.2000109.4A152L150-A152 PolarHBondContact O-N 2.91Å
151A46.9Very low44.9Very low101 Ų101125.6 Ų125.684%0.83579%0.786SS**  trans-58.2118.1-178.200000112.1
152A38.3Very low45Very low92 Ų92128.7 Ų128.776%0.7679%0.791SS**  trans-150.6101.8155.500000107.3L150 P154L150-A152 PolarHBondContact O-N 2.91Å; A152-P154 WeakPolarHBondContact O-CD 3.39Å
153S43.7Very low45.7Very low112 Ų112128.4 Ų128.478%0.78379%0.785SS**  trans-54.1121.8177.5-1580000110V155S153-V155 PolarHBondContact O-N 3.43Å; S153-V155 VanDerWaalsContact O-N 3.1Å
154P42.8Very low46.2Very low109 Ų109133.2 Ų133.271%0.70879%0.788SS**  trans-73.5106.2173.928.5-30.2000108A152 V156A152-P154 WeakPolarHBondContact O-CD 3.39Å; P154-V156 VanDerWaalsContact C-N 3.3Å; P154-V156 PolarHBondContact O-N 2.93Å
155V46Very low46.8Very low141 Ų141139.6 Ų139.686%0.85579%0.792SS**  trans-60.5100.1163.2170.40000106.8S153 A157S153-V155 PolarHBondContact O-N 3.43Å; S153-V155 VanDerWaalsContact O-N 3.1Å; V155-A157 PolarHBondContact O-N 2.87Å
156V48.4Very low47.1Very low121 Ų121141.6 Ų141.673%0.73379%0.794SS**  trans-59.8123.4175.6173.50000108.1P154 E158P154-V156 VanDerWaalsContact C-N 3.3Å; P154-V156 PolarHBondContact O-N 2.93Å; V156-E158 PolarHBondContact O-N 3.41Å
157A49.6Very low47.3Very low71 Ų71139.3 Ų139.359%0.58779%0.793SS**  trans-64.499.8173.400000109.8V155 Y159V155-A157 PolarHBondContact O-N 2.87Å; A157-Y159 VanDerWaalsContact C-N 3.31Å; A157-Y159 HydrophobicContact CB-CD2 3.82Å; A157-Y159 HydrophobicContact CB-CE2 3.74Å; A157-Y159 PolarHBondContact O-N 2.87Å
158E48Very low47.2Very low158 Ų158142.2 Ų142.274%0.73880%0.796SS**  trans-78.481.6174.1-161175.9-172.800109.4V156 R161V156-E158 PolarHBondContact O-N 3.41Å; E158-R161 IonicContact OE1-NH1 3.98Å
159Y43.2Very low47.8Very low210 Ų210143.6 Ų143.682%0.82479%0.793SS**  trans-77.5126.8168.7-80.4-89.7000110.4A157A157-Y159 VanDerWaalsContact C-N 3.31Å; A157-Y159 HydrophobicContact CB-CD2 3.82Å; A157-Y159 HydrophobicContact CB-CE2 3.74Å; A157-Y159 PolarHBondContact O-N 2.87Å
160A53.8Low47.3Very low87 Ų87149.8 Ų149.872%0.71980%0.799SS**  trans60.997.2152.500000118.4
161R46.7Very low47.2Very low217 Ų217146.1 Ų146.182%0.81979%0.788SS**  trans-113101.5149.4-73.5-175.4173.7158.5-1.6109.8E158 Q163E158-R161 IonicContact OE1-NH1 3.98Å; R161-Q163 PolarHBondContact O-N 3.31Å
162V53.6Low47.1Very low134 Ų134146.6 Ų146.681%0.81278%0.782SS**  trans-82.8102.6168.7178.80000107.9K164V162-K164 PolarHBondContact O-N 3.31Å
163Q58.1Low47Very low166 Ų166151.1 Ų151.178%0.77679%0.788SS**  trans-78.6104.7167.7-81.5-175.811.800109.4R161 R165R161-Q163 PolarHBondContact O-N 3.31Å; Q163-R165 PolarHBondContact O-N 3.39Å; Q163-R165 VanDerWaalsContact O-N 3.13Å
164K53.7Low46.7Very low200 Ų200153.7 Ų153.787%0.8779%0.787SS**  trans-72.4101.9170.7-155-163.5-173.5-169.40108.7V162 K166V162-K164 PolarHBondContact O-N 3.31Å; K164-K166 PolarHBondContact O-N 2.9Å
165R57.1Low46.7Very low227 Ų227153.5 Ų153.586%0.85779%0.786SS**PPolyproline II helixtrans-68.9119.9170.8-75.9-170.2170.5-164.7-2.2109.4Q163Q163-R165 PolarHBondContact O-N 3.39Å; Q163-R165 VanDerWaalsContact O-N 3.13Å
166K51.3Low46.3Very low199 Ų199154.2 Ų154.287%0.86578%0.78SS**PPolyproline II helixtrans-66.8123173.9-167.6178.3-178.6-1620108.1K164 T168K164-K166 PolarHBondContact O-N 2.9Å; K166-T168 PolarHBondContact O-N 3.39Å
167G48.2Very low46Very low77 Ų77156.9 Ų156.979%0.79478%0.784SS**PPolyproline II helixtrans-65.4127.8179.200000111.2
168T41.4Very low45.6Very low133 Ų133157 Ų15782%0.81679%0.793SS**  trans-116.4114.4166.6-600000107.7K166 R170K166-T168 PolarHBondContact O-N 3.39Å; T168-R170 PolarHBondContact O-N 3.27Å
169H47.2Very low45.3Very low179 Ų179159.3 Ų159.383%0.82980%0.801SS**  trans-60.7120.2171.6168.7-86.7000110.7
170R34.7Very low45.4Very low241 Ų241155.6 Ų155.691%0.90980%0.8SS**  trans-158101.1154.3-134.7178.3-175.8176.31.2111T168T168-R170 PolarHBondContact O-N 3.27Å
171S37.6Very low45.2Very low94 Ų94160 Ų16066%0.65781%0.806SS**  trans-70.6158149.3-159.90000107.7
172P46.8Very low45.7Very low111 Ų111153.3 Ų153.372%0.72179%0.789SS**  cis-151.9173.941.639-15.2000119.6
173Q35.1Very low45.8Very low187 Ų187151.3 Ų151.387%0.87478%0.777SS**  trans112.9104.9154-68.4-175.6-1300118.4
174E36.5Very low45.9Very low165 Ų165148 Ų14877%0.77177%0.77SS**  trans-63.5159.7148.5-126.8-151.5119.600110.4Q176E174-Q176 PolarHBondContact OE1-N 3.44Å
175P43Very low45.9Very low105 Ų105141.5 Ų141.568%0.68275%0.754SS**  -147.3156.662.435.9-15000117.8
176Q38.7Very low46.2Very low157 Ų157133 Ų13373%0.73473%0.732SS**  trans65.8144151.1-71.7-173.752.600119.5E174E174-Q176 PolarHBondContact OE1-N 3.44Å
177Q41.8Very low46.7Very low176 Ų176129.6 Ų129.682%0.82272%0.719SS**  cis-172.5138-18.1-166.9165.912.100104.6
178G41.7Very low47.8Very low75 Ų75129.5 Ų129.577%0.77370%0.703SS**  trans8758.4151.300000119.4
179K41.3Very low48.9Very low205 Ų205128.7 Ų128.789%0.89169%0.694SS**  trans-15193.2143.4-149.8167.1-175.3177.20108.8E181K179-E181 VanDerWaalsContact C-N 3.31Å; K179-E181 PolarHBondContact O-N 3.26Å
180T44.6Very low49.9Very low132 Ų132123.6 Ų123.681%0.8168%0.675SS**  trans-67.191-178.7-50.40000109.2V182T180-V182 HydrophobicContact CG2-CG2 4.35Å; T180-V182 PolarHBondContact O-N 2.84Å; T180-V182 VanDerWaalsContact O-N 3.08Å
181E50.3Low51.7Low181 Ų181117.7 Ų117.785%0.84666%0.661SS**  trans-65.9100.8164.6-166.1177.8-179.600107.3K179 T183K179-E181 VanDerWaalsContact C-N 3.31Å; K179-E181 PolarHBondContact O-N 3.26Å; E181-T183 PolarHBondContact O-N 2.87Å
182V57.8Low52.3Low75 Ų75120.7 Ų120.746%0.45566%0.659SS.*  trans-70.4106.2-178.3177.30000108T180 Q187T180-V182 HydrophobicContact CG2-CG2 4.35Å; T180-V182 PolarHBondContact O-N 2.84Å; T180-V182 VanDerWaalsContact O-N 3.08Å; V182-Q187 HydrophobicContact CG1-CB 4.04Å; V182-Q187 HydrophobicContact CG1-CG 3.97Å
183T55.2Low53.1Low92 Ų92118.6 Ų118.656%0.56465%0.647SS**  trans-55.9131.9171-42.20000108.9E181 A185 A186 Q187E181-T183 PolarHBondContact O-N 2.87Å; T183-A185 PolarHBondContact O-N 3.34Å; T183-A186 WeakPolarHBondContact O-CB 3.26Å; T183-A186 PolarHBondContact O-N 3.35Å; T183-Q187 PolarHBondContact O-N 3.43Å
184P59.2Low54.4Low98 Ų98119.1 Ų119.164%0.63664%0.641SS**Hα-helixtrans-57.6-25.4-174.516.2-28.8000113.6Q187 V188P184-Q187 PolarHBondContact O-N 3.38Å; P184-V188 WeakPolarHBondContact O-CG2 3.46Å; P184-V188 PolarHBondContact O-N 3.35Å
185A55Low55.4Low63 Ų63116.9 Ų116.952%0.52164%0.638SS.*Hα-helixtrans-63.4-42.1172.800000113.1T183 Q187 V188 D189T183-A185 PolarHBondContact O-N 3.34Å; A185-Q187 VanDerWaalsContact C-N 3.29Å; A185-Q187 PolarHBondContact O-N 2.9Å; A185-V188 PolarHBondContact O-N 3.45Å; A185-D189 PolarHBondContact O-N 3.3Å
186A62.1Low55.9Low49 Ų49116.3 Ų116.341%0.40564%0.636SS.*Hα-helixtrans-68.7-29.9179.700000112.2T183 V190T183-A186 WeakPolarHBondContact O-CB 3.26Å; T183-A186 PolarHBondContact O-N 3.35Å; A186-V190 VanDerWaalsContact O-CG2 3.29Å; A186-V190 WeakPolarHBondContact O-CG2 3.37Å; A186-V190 PolarHBondContact O-N 2.92Å; A186-V190 VanDerWaalsContact O-N 3.16Å
187Q63.5Low56.9Low126 Ų126117.2 Ų117.259%0.58964%0.637SS**Hα-helixtrans-70.4-35.3177.7-134.2177.166.900112V182 T183 P184 A185 L191V182-Q187 HydrophobicContact CG1-CB 4.04Å; V182-Q187 HydrophobicContact CG1-CG 3.97Å; T183-Q187 PolarHBondContact O-N 3.43Å; P184-Q187 PolarHBondContact O-N 3.38Å; A185-Q187 VanDerWaalsContact C-N 3.29Å; A185-Q187 PolarHBondContact O-N 2.9Å; Q187-L191 PolarHBondContact O-N 3.02Å; Q187-L191 VanDerWaalsContact O-N 3.09Å
188V69.7Low57.3Low75 Ų75114.5 Ų114.546%0.45564%0.635SS.*Hα-helixtrans-69.3-42.1177177.50000110.7P184 A185 V190 L191 Y192P184-V188 WeakPolarHBondContact O-CG2 3.46Å; P184-V188 PolarHBondContact O-N 3.35Å; A185-V188 PolarHBondContact O-N 3.45Å; V188-V190 PolarHBondContact O-N 2.94Å; V188-L191 WeakPolarHBondContact O-CB 3.29Å; V188-L191 PolarHBondContact O-N 3.48Å; V188-L191 VanDerWaalsContact O-N 3.11Å; V188-Y192 HydrophobicContact CG1-CD2 3.65Å; V188-Y192 HydrophobicContact CG1-CE2 3.63Å; V188-Y192 VanDerWaalsContact O-CD2 3.31Å; V188-Y192 WeakPolarHBondContact O-CD2 3.46Å; V188-Y192 PolarHBondContact O-N 3.33Å
189D65.3Low57.7Low116 Ų116120.4 Ų120.462%0.6264%0.639SS**Hα-helixtrans-66.2-36.3177.4-73-22.4000112.8A185 L191 S193A185-D189 PolarHBondContact O-N 3.3Å; D189-L191 VanDerWaalsContact C-N 3.31Å; D189-L191 PolarHBondContact O-N 2.95Å; D189-S193 WeakPolarHBondContact O-CB 3.27Å; D189-S193 PolarHBondContact O-N 3.49Å; D189-S193 PolarHBondContact O-OG 2.89Å
190V68.8Low58.1Low73 Ų73120 Ų12044%0.44263%0.632SS.*Hα-helixtrans-65.8-35172173.80000111.4A186 V188 S193 R194A186-V190 VanDerWaalsContact O-CG2 3.29Å; A186-V190 WeakPolarHBondContact O-CG2 3.37Å; A186-V190 PolarHBondContact O-N 2.92Å; A186-V190 VanDerWaalsContact O-N 3.16Å; V188-V190 PolarHBondContact O-N 2.94Å; V190-S193 WeakPolarHBondContact CA-OG 3.39Å; V190-S193 PolarHBondContact O-OG 2.87Å; V190-R194 WeakPolarHBondContact O-CG 3.38Å; V190-R194 PolarHBondContact O-N 3.37Å
191L71.4Confident58.4Low116 Ų116124.8 Ų124.861%0.60764%0.635SS**Hα-helixtrans-69.7-44178.1-163.672.4000111.7Q187 V188 D189 R194Q187-L191 PolarHBondContact O-N 3.02Å; Q187-L191 VanDerWaalsContact O-N 3.09Å; V188-L191 WeakPolarHBondContact O-CB 3.29Å; V188-L191 PolarHBondContact O-N 3.48Å; V188-L191 VanDerWaalsContact O-N 3.11Å; D189-L191 VanDerWaalsContact C-N 3.31Å; D189-L191 PolarHBondContact O-N 2.95Å; L191-R194 PolarHBondContact O-N 3.32Å
192Y50.3Low58.5Low158 Ų158122.1 Ų122.162%0.6263%0.627SS**Hα-helixtrans-71.7-32.7179-82.3-77.2000113.2V188 R194 V195 C196V188-Y192 HydrophobicContact CG1-CD2 3.65Å; V188-Y192 HydrophobicContact CG1-CE2 3.63Å; V188-Y192 VanDerWaalsContact O-CD2 3.31Å; V188-Y192 WeakPolarHBondContact O-CD2 3.46Å; V188-Y192 PolarHBondContact O-N 3.33Å; Y192-R194 VanDerWaalsContact C-N 3.29Å; Y192-R194 PolarHBondContact O-N 2.86Å; Y192-V195 PolarHBondContact O-N 3.23Å; Y192-C196 PolarHBondContact O-N 2.98Å; Y192-C196 VanDerWaalsContact O-N 3.07Å
193S63.8Low58.2Low67 Ų67123.8 Ų123.847%0.46964%0.639SS.*Hα-helixtrans-69.9-22.5175.9620000114D189 V190D189-S193 WeakPolarHBondContact O-CB 3.27Å; D189-S193 PolarHBondContact O-N 3.49Å; D189-S193 PolarHBondContact O-OG 2.89Å; V190-S193 WeakPolarHBondContact CA-OG 3.39Å; V190-S193 PolarHBondContact O-OG 2.87Å
194R62.7Low57.5Low197 Ų197122.2 Ų122.274%0.74364%0.641SS**Hα-helixtrans-79.5-28.5174.3-73-178.7-172.3-128.53.2113.4V190 L191 Y192V190-R194 WeakPolarHBondContact O-CG 3.38Å; V190-R194 PolarHBondContact O-N 3.37Å; L191-R194 PolarHBondContact O-N 3.32Å; Y192-R194 VanDerWaalsContact C-N 3.29Å; Y192-R194 PolarHBondContact O-N 2.86Å
195V57.6Low56.8Low118 Ų118123.4 Ų123.472%0.71565%0.649SS**Hα-helixtrans-87.4-32.2-179.3-178.70000111.4Y192 K197Y192-V195 PolarHBondContact O-N 3.23Å; V195-K197 PolarHBondContact O-N 3.38Å
196C54.2Low56.1Low93 Ų93126.4 Ų126.463%0.62866%0.661SS**  trans-101.368.2178.5-66.20000111.6Y192 P198Y192-C196 PolarHBondContact O-N 2.98Å; Y192-C196 VanDerWaalsContact O-N 3.07Å; C196-P198 WeakPolarHBondContact O-CD 3.23Å
197K57.8Low55.1Low176 Ų176130.3 Ų130.377%0.76568%0.68SS**  trans-92.9113.3158.2-69.8-149.8176-171.70109.2V195 K199V195-K197 PolarHBondContact O-N 3.38Å; K197-K199 PolarHBondContact O-N 3.34Å
198P51.8Low53.8Low119 Ų119131.1 Ų131.177%0.77369%0.688SS**  trans-63.1121.8160.525.8-29.5000107.4C196 R200C196-P198 WeakPolarHBondContact O-CD 3.23Å; P198-R200 PolarHBondContact O-N 2.88Å
199K48.6Very low52.7Low200 Ų200133.1 Ų133.187%0.8770%0.703SS**  trans-54.6102.3174.2-173.5174.5-178.2175.70107.8K197 R201K197-K199 PolarHBondContact O-N 3.34Å; K199-R201 PolarHBondContact O-N 3.33Å
200R50.7Low51.4Low197 Ų197135.7 Ų135.774%0.74372%0.716SS**  trans-58.9105.5171.8-168-176.2-170.1-117.88105.9P198 D202P198-R200 PolarHBondContact O-N 2.88Å; R200-D202 PolarHBondContact O-N 3.02Å
201R50.4Low50.3Low231 Ų231138.7 Ų138.787%0.87273%0.729SS**  trans-65.6120162.1-94178.6175.2160.8-1.9105.5K199K199-R201 PolarHBondContact O-N 3.33Å
202D53.2Low49.1Very low125 Ų125138.6 Ų138.667%0.66874%0.736SS**  trans-58.7134.7169.2-61.5-55.3000108.5R200 G204R200-D202 PolarHBondContact O-N 3.02Å; D202-G204 PolarHBondContact O-N 2.93Å; D202-G204 VanDerWaalsContact O-N 3.08Å
203P51.9Low48.7Very low110 Ų110140.4 Ų140.471%0.71475%0.747SS**  trans-62.8110.7163.7-12.626.9000106.8
204G40.6Very low47.1Very low59 Ų59140.1 Ų140.161%0.60875%0.754SS**  trans-56.4143169.800000109.7D202 T206D202-G204 PolarHBondContact O-N 2.93Å; D202-G204 VanDerWaalsContact O-N 3.08Å; G204-T206 PolarHBondContact O-N 3.1Å; G204-T206 VanDerWaalsContact O-N 3.11Å
205P42.9Very low45.7Very low123 Ų123140.5 Ų140.580%0.79976%0.764SS**  trans-69.2112.1-177.925.8-30.8000110.2T207P205-T207 PolarHBondContact O-N 3.21Å
206T41.2Very low44.5Very low127 Ų127138.2 Ų138.278%0.77977%0.765SS**  trans-57.7114.2158-56.40000108.2G204G204-T206 PolarHBondContact O-N 3.1Å; G204-T206 VanDerWaalsContact O-N 3.11Å
207T40.6Very low43.6Very low130 Ų130138.3 Ų138.380%0.79877%0.772SS**  trans-125.7117.2160.123.90000107.6P205P205-T207 PolarHBondContact O-N 3.21Å
208D37Very low42.7Very low143 Ų143137.2 Ų137.277%0.76577%0.773SS**  trans-61.2160.1172.9-86.2-41.3000111.8
209P46.6Very low42.1Very low117 Ų117139.2 Ų139.276%0.7678%0.776SS**  trans-84.9128.9-16633.6-31000111.3
210L38.2Very low41.3Very low171 Ų171133.9 Ų133.990%0.89577%0.77SS**  trans-135.5101161.2-96.8147.2000108.6
211D44.6Very low40.6Very low135 Ų135132.7 Ų132.772%0.72278%0.778SS**  trans-59.1137.8154.8178.638.8000108.8K213D211-K213 PolarHBondContact OD1-N 2.96Å
212P47.3Very low39.7Very low114 Ų114126 Ų12674%0.7477%0.772SS**  -145.6124.6101.532.1-12.7000114.4
213K41.4Very low38.9Very low197 Ų197123.9 Ų123.986%0.85778%0.779SS**  trans1.2123.8130.1-163.8174.4-171.4173.50117.2D211D211-K213 PolarHBondContact OD1-N 2.96Å
214G29.9Very low38.1Very low61 Ų61126.1 Ų126.163%0.62979%0.785SS**  trans155.9120.6151.800000117
215Q33.7Very low38Very low204 Ų204130.9 Ų130.995%0.95380%0.796SS**  trans61.3124.3147.3-108140.2-25.300118.2
216G32.9Very low37.7Very low70 Ų70129.5 Ų129.572%0.72280%0.795SS**  cis115.9135.741.100000109.4
217A34.9Very low37.3Very low95 Ų95133.9 Ų133.979%0.78580%0.798SS**  trans76.4113174.500000116.4
218I38.8Very low37.1Very low154 Ų154135.5 Ų135.579%0.7980%0.797SS**  60.3119.261.1-47.1178000114.1
219L38.6Very low36.9Very low160 Ų160134.8 Ų134.884%0.83880%0.798SS**  trans133.5101.4149.6-71.9178.6000110.6
220A32Very low36.8Very low89 Ų89136.9 Ų136.974%0.73680%0.802SS**  83.1104.28000000112.6
221L35.1Very low37.2Very low172 Ų172134.3 Ų134.390%0.90180%0.795SS**  trans-159.5105.2144.6-159.458.9000112.2
222A31.9Very low36.7Very low91 Ų91135.2 Ų135.275%0.75280%0.799SS**  trans34.2121141.900000120.4
223G36.1Very low36.1Very low79 Ų79141.2 Ų141.281%0.81481%0.807SS**  trans-166.687.5159.900000109.2
224D36.8Very low35.7Very low157 Ų157135.5 Ų135.584%0.8480%0.797SS**  trans-61.6127.9-168.6-70-51.1000115.6
225L38.7Very low36.2Very low160 Ų160140.1 Ų140.184%0.83881%0.806SS**  22.5111.4129.5-154.781000119.2
226A35.2Very low36.2Very low94 Ų94137.4 Ų137.478%0.77780%0.798SS**  trans-14696147.400000111.5
227Y33.2Very low36.9Very low218 Ų218140 Ų14086%0.85580%0.8SS**  trans51.8111.1151.7-82.7-93.5000122.2
228Q36Very low37.1Very low164 Ų164142.3 Ų142.377%0.76680%0.799SS**  trans-18.4137.9147.1-77-159.943.500117.3
229T33.7Very low37.7Very low128 Ų128140.1 Ų140.179%0.78580%0.797SS**  -168.7116.797.83.70000111.9
230L44Very low37.9Very low162 Ų162135.4 Ų135.485%0.84879%0.787SS**  trans-121.6144.4155.1-87.2169.2000107.3
231P46.5Very low38.7Very low116 Ų116135.5 Ų135.575%0.75378%0.781SS**  -135.5126.9120.234-21.3000110.1
232L34.4Very low39.8Very low154 Ų154136.1 Ų136.181%0.80678%0.784SS**  62.485.469.5-142.2155.7000114.3A234L232-A234 HydrophobicContact CD2-CB 4.42Å
233R34.4Very low40.9Very low240 Ų240139.1 Ų139.191%0.90678%0.782SS**  trans-139.297.1152.5-81.2-99-170.1164.81.4104
234A33.9Very low41.7Very low77 Ų77140.4 Ų140.464%0.63677%0.771SS**  36.5123.272.700000110.9L232L232-A234 HydrophobicContact CD2-CB 4.42Å
235L39.3Very low42.8Very low159 Ų159139.4 Ų139.483%0.83277%0.77SS**  cis177.3122.97.9173.890.4000100.4
236D33.6Very low43.6Very low146 Ų146141.6 Ų141.678%0.78177%0.768SS**  trans-164.6118.8141.7-143.536.5000111.2
237V48.8Very low44.7Very low124 Ų124144.8 Ų144.875%0.75277%0.767SS**  trans-81.9117163.7167.40000104.2
238D38.6Very low45.9Very low145 Ų145139.6 Ų139.678%0.77576%0.763SS**  trans-136.4117152-157.616000111.1
239S51.2Low47Very low108 Ų108138.8 Ų138.876%0.75576%0.762SS**  trans-105108.8172.342.10000106.4
240G43.3Very low48Very low61 Ų61143.7 Ų143.763%0.62977%0.766SS**  trans-144.4159.1176.700000111.9
241P48.6Very low48.4Very low91 Ų91144.9 Ų144.959%0.59177%0.768SS**  -97.9164-114.1-8.327.8000115.1E243P241-E243 VanDerWaalsContact C-N 3.28Å; P241-E243 HydrophobicContact CB-CG 4.41Å; P241-E243 WeakPolarHBondContact CD-OE1 3.5Å; P241-E243 VanDerWaalsContact CG-OE1 3.23Å; P241-E243 WeakPolarHBondContact CG-OE1 3.49Å; P241-E243 PolarHBondContact O-N 3.11Å
242L57.8Low48.2Very low184 Ų184151.3 Ų151.396%0.96379%0.794SS**  trans-61.485.7165.2-84.7157.5000110.5
243E55.2Low48.9Very low154 Ų154151.2 Ų151.272%0.7279%0.794SS**  trans-100.5102176.8-79.1145.8-174.300111P241P241-E243 VanDerWaalsContact C-N 3.28Å; P241-E243 HydrophobicContact CB-CG 4.41Å; P241-E243 WeakPolarHBondContact CD-OE1 3.5Å; P241-E243 VanDerWaalsContact CG-OE1 3.23Å; P241-E243 WeakPolarHBondContact CG-OE1 3.49Å; P241-E243 PolarHBondContact O-N 3.11Å
244N53.5Low49.7Very low107 Ų107146.5 Ų146.557%0.57279%0.788SS**  trans7475138.9-121.8-5.4000119.4Y246N244-Y246 PolarHBondContact O-N 3.29Å; N244-Y246 VanDerWaalsContact O-N 3.09Å
245V59.2Low50.6Low136 Ų136150.4 Ų150.482%0.82480%0.796SS**THydrogen-bonded Turntrans-62.2-8.9163.7177.60000113
246Y56Low51.2Low205 Ų205149.9 Ų149.980%0.80479%0.794SS**THydrogen-bonded Turntrans-99.5-0.3-175.2-108.3-90.3000116.2N244N244-Y246 PolarHBondContact O-N 3.29Å; N244-Y246 VanDerWaalsContact O-N 3.09Å
247E58.1Low52.3Low162 Ų162150.1 Ų150.176%0.75780%0.795SS**SBendtrans-97.4-8.2174.1-76.3-136.6155.800114.8I249E247-I249 VanDerWaalsContact C-N 3.26Å; E247-I249 PolarHBondContact O-N 3.3Å
248S58.2Low52.6Low109 Ų109151.9 Ų151.976%0.76280%0.798SS**SBendtrans-79.41.8-177.1176.60000114.9
249I59.6Low53.5Low147 Ų147152.4 Ų152.475%0.75480%0.799SS**SBendtrans-112.669.7-178.1-45.8176.5000110.1E247E247-I249 VanDerWaalsContact C-N 3.26Å; E247-I249 PolarHBondContact O-N 3.3Å
250R54.8Low53.7Low230 Ų230155.8 Ų155.887%0.86880%0.803SS**  trans-179.892.6149.1-101.9168.3-174.9-158.31.3108
251E51.6Low54.6Low188 Ų188163.7 Ų163.788%0.87982%0.817SS**  trans176.385.6150.4-98.7166.7-149.800109.2
252L42.6Very low55.1Low251 Ų251170.3 Ų170.3100%1.31484%0.838SS**  176.70127.3-116.188.2000110.2

Retrieved 252 of 252 residues in 259.8 ms (Link to these results)