X2JEE5_DROME Loading...

Uncharacterized protein

AlphaFold DB , UniProt , Accession X2JEE5, Species DROME (Drosophila melanogaster, Fruit fly), Gene Dmel\CG2157, Length 247 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
1M81.8Confident88.8Confident201 Ų201114.8 Ų114.899%0.9960%0.604SS**  0-45.50-54.7-155.4-163.400113.1C3 F4 F5M1-C3 VanDerWaalsContact C-N 3.32Å; M1-C3 PolarHBondContact O-N 3.15Å; M1-F4 PolarHBondContact O-N 3.27Å; M1-F4 VanDerWaalsContact O-N 3.15Å; M1-F5 VanDerWaalsContact O-CD2 3.31Å; M1-F5 WeakPolarHBondContact O-CD2 3.38Å
2K82.2Confident88.6Confident180 Ų180114.9 Ų114.978%0.78360%0.604SS**Hα-helixtrans-54.7-40.2179-65.4173.7179.4170.90114.4F4 F5 I6K2-F4 VanDerWaalsContact C-N 3.3Å; K2-F4 PolarHBondContact O-N 3.35Å; K2-F5 PolarHBondContact O-N 3.45Å; K2-I6 PolarHBondContact O-N 3.34Å
3C86.3Confident88.6Confident95 Ų95112.4 Ų112.464%0.64260%0.596SS**Hα-helixtrans-65.2-30.6-179.9-490000113.7M1 I6 L7M1-C3 VanDerWaalsContact C-N 3.32Å; M1-C3 PolarHBondContact O-N 3.15Å; C3-I6 PolarHBondContact O-N 3.35Å; C3-L7 PolarHBondContact O-N 3.49Å
4F90.4Very high88.2Confident133 Ų133113.5 Ų113.558%0.58360%0.601SS**Hα-helixtrans-68.8-39.8179.8-175.1-104.1000111.6M1 K2 I6 L7 I8M1-F4 PolarHBondContact O-N 3.27Å; M1-F4 VanDerWaalsContact O-N 3.15Å; K2-F4 VanDerWaalsContact C-N 3.3Å; K2-F4 PolarHBondContact O-N 3.35Å; F4-I6 VanDerWaalsContact C-N 3.33Å; F4-I6 PolarHBondContact O-N 2.99Å; F4-L7 PolarHBondContact O-N 3.17Å; F4-I8 HydrophobicContact CD1-CD1 3.8Å; F4-I8 HydrophobicContact CE1-CD1 3.26Å; F4-I8 HydrophobicContact CE1-CG1 4.33Å; F4-I8 HydrophobicContact CE2-CD1 4.43Å; F4-I8 HydrophobicContact CZ-CD1 3.63Å; F4-I8 HydrophobicContact CZ-CG1 4.44Å; F4-I8 PolarHBondContact O-N 2.91Å
5F91Very high87.5Confident146 Ų146109.9 Ų109.964%0.6459%0.589SS**Hα-helixtrans-65.4-36.3175.6-68.9-72.8000112.5M1 K2 A9M1-F5 VanDerWaalsContact O-CD2 3.31Å; M1-F5 WeakPolarHBondContact O-CD2 3.38Å; K2-F5 PolarHBondContact O-N 3.45Å; F5-A9 WeakPolarHBondContact O-CB 3.31Å; F5-A9 PolarHBondContact O-N 3.36Å
6I93.1Very high86.5Confident109 Ų109106.4 Ų106.456%0.55958%0.58SS**Hα-helixtrans-63.9-45.4176.4-64.4170.4000110.2K2 C3 F4 I8 A9 T10K2-I6 PolarHBondContact O-N 3.34Å; C3-I6 PolarHBondContact O-N 3.35Å; F4-I6 VanDerWaalsContact C-N 3.33Å; F4-I6 PolarHBondContact O-N 2.99Å; I6-I8 PolarHBondContact O-N 3.12Å; I6-A9 PolarHBondContact O-N 3.33Å; I6-T10 HydrophobicContact CG2-CG2 4.37Å; I6-T10 WeakPolarHBondContact O-CG2 3.39Å; I6-T10 PolarHBondContact O-N 3.47Å; I6-T10 PolarHBondContact O-OG1 3.28Å; I6-T10 VanDerWaalsContact O-OG1 3.12Å
7L91.3Very high85.7Confident117 Ų117109.7 Ų109.761%0.61358%0.583SS**Hα-helixtrans-60.5-46179.3-73.2172.4000112.2C3 F4 A9 T10 S11C3-L7 PolarHBondContact O-N 3.49Å; F4-L7 PolarHBondContact O-N 3.17Å; L7-A9 PolarHBondContact O-N 3.03Å; L7-T10 WeakPolarHBondContact CA-OG1 3.42Å; L7-T10 PolarHBondContact O-N 3.33Å; L7-T10 PolarHBondContact O-OG1 3.09Å; L7-S11 PolarHBondContact O-N 3.14Å; L7-S11 PolarHBondContact O-OG 3.45Å
8I93Very high84.6Confident76 Ų76107.1 Ų107.139%0.3958%0.579SS.*Hα-helixtrans-63-44.1177.5-67.6175.9000111.1F4 I6 T10 S11 L12F4-I8 HydrophobicContact CD1-CD1 3.8Å; F4-I8 HydrophobicContact CE1-CD1 3.26Å; F4-I8 HydrophobicContact CE1-CG1 4.33Å; F4-I8 HydrophobicContact CE2-CD1 4.43Å; F4-I8 HydrophobicContact CZ-CD1 3.63Å; F4-I8 HydrophobicContact CZ-CG1 4.44Å; F4-I8 PolarHBondContact O-N 2.91Å; I6-I8 PolarHBondContact O-N 3.12Å; I8-T10 VanDerWaalsContact C-N 3.33Å; I8-T10 PolarHBondContact O-N 3.18Å; I8-S11 WeakPolarHBondContact CA-OG 3.39Å; I8-S11 PolarHBondContact O-N 3.39Å; I8-S11 PolarHBondContact O-OG 3.47Å; I8-L12 WeakPolarHBondContact O-CB 3.31Å; I8-L12 PolarHBondContact O-N 2.88Å
9A90.3Very high83.2Confident57 Ų57108.5 Ų108.547%0.47158%0.582SS.*Hα-helixtrans-61-43.6177.900000111.3F5 I6 L7 L12 V13F5-A9 WeakPolarHBondContact O-CB 3.31Å; F5-A9 PolarHBondContact O-N 3.36Å; I6-A9 PolarHBondContact O-N 3.33Å; L7-A9 PolarHBondContact O-N 3.03Å; A9-L12 PolarHBondContact O-N 3.4Å; A9-V13 VanDerWaalsContact O-CG2 3.31Å; A9-V13 WeakPolarHBondContact O-CG2 3.22Å; A9-V13 PolarHBondContact O-N 2.77Å; A9-V13 VanDerWaalsContact O-N 3.09Å
10T91Very high81.9Confident79 Ų79108.9 Ų108.949%0.48558%0.584SS.*Hα-helixtrans-65.8-39.8177.753.40000112.8I6 L7 I8 L12 L14I6-T10 HydrophobicContact CG2-CG2 4.37Å; I6-T10 WeakPolarHBondContact O-CG2 3.39Å; I6-T10 PolarHBondContact O-N 3.47Å; I6-T10 PolarHBondContact O-OG1 3.28Å; I6-T10 VanDerWaalsContact O-OG1 3.12Å; L7-T10 WeakPolarHBondContact CA-OG1 3.42Å; L7-T10 PolarHBondContact O-N 3.33Å; L7-T10 PolarHBondContact O-OG1 3.09Å; I8-T10 VanDerWaalsContact C-N 3.33Å; I8-T10 PolarHBondContact O-N 3.18Å; T10-L12 VanDerWaalsContact C-N 3.33Å; T10-L12 PolarHBondContact O-N 2.94Å; T10-L14 WeakPolarHBondContact O-CB 3.42Å; T10-L14 PolarHBondContact O-N 3.44Å
11S86.5Confident80.7Confident70 Ų70106.1 Ų106.149%0.4958%0.576SS.*Hα-helixtrans-66.6-37178.159.90000112.1L7 I8 L14 S15L7-S11 PolarHBondContact O-N 3.14Å; L7-S11 PolarHBondContact O-OG 3.45Å; I8-S11 WeakPolarHBondContact CA-OG 3.39Å; I8-S11 PolarHBondContact O-N 3.39Å; I8-S11 PolarHBondContact O-OG 3.47Å; S11-L14 PolarHBondContact O-N 2.76Å; S11-S15 PolarHBondContact O-N 3.32Å; S11-S15 PolarHBondContact O-OG 3.12Å
12L86Confident79.5Confident116 Ų11699 Ų9961%0.60755%0.55SS*.Hα-helixtrans-70.4-40.6-179-137.9157000111.4I8 A9 T10 S15 A16I8-L12 WeakPolarHBondContact O-CB 3.31Å; I8-L12 PolarHBondContact O-N 2.88Å; A9-L12 PolarHBondContact O-N 3.4Å; T10-L12 VanDerWaalsContact C-N 3.33Å; T10-L12 PolarHBondContact O-N 2.94Å; L12-S15 WeakPolarHBondContact CA-OG 3.49Å; L12-S15 PolarHBondContact O-N 3Å; L12-S15 PolarHBondContact O-OG 3.2Å; L12-A16 PolarHBondContact O-N 3.31Å; L12-A16 VanDerWaalsContact O-N 3.14Å
13V88.6Confident78.3Confident82 Ų8295.5 Ų95.550%0.49754%0.539SS..Hα-helixtrans-63.8-44.1173.2172.50000110.8A9 S15 A16 Y17A9-V13 VanDerWaalsContact O-CG2 3.31Å; A9-V13 WeakPolarHBondContact O-CG2 3.22Å; A9-V13 PolarHBondContact O-N 2.77Å; A9-V13 VanDerWaalsContact O-N 3.09Å; V13-S15 VanDerWaalsContact C-N 3.33Å; V13-S15 PolarHBondContact O-N 3.36Å; V13-A16 PolarHBondContact O-N 3.42Å; V13-Y17 HydrophobicContact CG1-CD2 3.73Å; V13-Y17 HydrophobicContact CG1-CE2 3.46Å; V13-Y17 VanDerWaalsContact CG1-CE2 3.46Å; V13-Y17 WeakPolarHBondContact O-CD2 3.4Å; V13-Y17 PolarHBondContact O-N 3.05Å; V13-Y17 VanDerWaalsContact O-N 3.12Å
14L83.4Confident76.8Confident128 Ų12894.1 Ų94.167%0.6753%0.531SS*.Hα-helixtrans-64.4-37.7179.3-150.674.9000112.2T10 S11 A16 Y17 A18T10-L14 WeakPolarHBondContact O-CB 3.42Å; T10-L14 PolarHBondContact O-N 3.44Å; S11-L14 PolarHBondContact O-N 2.76Å; L14-A16 VanDerWaalsContact C-N 3.34Å; L14-Y17 PolarHBondContact O-N 3.42Å; L14-A18 PolarHBondContact O-N 3.19Å
15S77.2Confident75.1Confident60 Ų6092.9 Ų92.942%0.4253%0.53SS..Hα-helixtrans-65.8-34.9174.752.80000113.1S11 L12 V13 A18 Q19S11-S15 PolarHBondContact O-N 3.32Å; S11-S15 PolarHBondContact O-OG 3.12Å; L12-S15 WeakPolarHBondContact CA-OG 3.49Å; L12-S15 PolarHBondContact O-N 3Å; L12-S15 PolarHBondContact O-OG 3.2Å; V13-S15 VanDerWaalsContact C-N 3.33Å; V13-S15 PolarHBondContact O-N 3.36Å; S15-A18 PolarHBondContact O-N 3.46Å; S15-Q19 WeakPolarHBondContact O-CG 3.49Å; S15-Q19 PolarHBondContact O-N 3.44Å
16A72.6Confident73.1Confident53 Ų5391.8 Ų91.844%0.43853%0.531SS..Hα-helixtrans-67.7-42.3176.600000111.6L12 V13 L14 A18 Q19 D20L12-A16 PolarHBondContact O-N 3.31Å; L12-A16 VanDerWaalsContact O-N 3.14Å; V13-A16 PolarHBondContact O-N 3.42Å; L14-A16 VanDerWaalsContact C-N 3.34Å; A16-A18 VanDerWaalsContact C-N 3.33Å; A16-A18 PolarHBondContact O-N 3.24Å; A16-Q19 PolarHBondContact O-N 3.43Å; A16-D20 PolarHBondContact O-N 2.98Å
17Y72.5Confident71Confident163 Ų16394 Ų9464%0.63954%0.539SS*.Hα-helixtrans-65.2-34.8174.9-79.1-68.8000113.1V13 L14 Q19 A21V13-Y17 HydrophobicContact CG1-CD2 3.73Å; V13-Y17 HydrophobicContact CG1-CE2 3.46Å; V13-Y17 VanDerWaalsContact CG1-CE2 3.46Å; V13-Y17 WeakPolarHBondContact O-CD2 3.4Å; V13-Y17 PolarHBondContact O-N 3.05Å; V13-Y17 VanDerWaalsContact O-N 3.12Å; L14-Y17 PolarHBondContact O-N 3.42Å; Y17-Q19 VanDerWaalsContact C-N 3.33Å; Y17-A21 PolarHBondContact O-N 3.27Å
18A64.9Low68.8Low62 Ų6295 Ų9551%0.51254%0.54SS..Hα-helixtrans-68-32.7178.300000112.8L14 S15 A16 A22L14-A18 PolarHBondContact O-N 3.19Å; S15-A18 PolarHBondContact O-N 3.46Å; A16-A18 VanDerWaalsContact C-N 3.33Å; A16-A18 PolarHBondContact O-N 3.24Å; A18-A22 PolarHBondContact O-N 3.11Å
19Q58.9Low66.8Low134 Ų13496.6 Ų96.663%0.62655%0.553SS**Hα-helixtrans-70.3-42.4176.4-72.8179.3-52.100111.8S15 A16 Y17 A21 A22 D23S15-Q19 WeakPolarHBondContact O-CG 3.49Å; S15-Q19 PolarHBondContact O-N 3.44Å; A16-Q19 PolarHBondContact O-N 3.43Å; Y17-Q19 VanDerWaalsContact C-N 3.33Å; Q19-A21 VanDerWaalsContact C-N 3.3Å; Q19-A21 PolarHBondContact O-N 3.15Å; Q19-A22 PolarHBondContact O-N 3.37Å; Q19-A22 VanDerWaalsContact O-N 3.15Å; Q19-D23 PolarHBondContact O-N 3.29Å; Q19-D23 VanDerWaalsContact O-N 3.11Å
20D57Low64.9Low116 Ų11697 Ų9762%0.6256%0.556SS**Hα-helixtrans-62.7-37.1179.2-155.825000112A16 D23 S24A16-D20 PolarHBondContact O-N 2.98Å; D20-D23 PolarHBondContact O-N 3.26Å; D20-S24 PolarHBondContact O-N 3.25Å
21A57.7Low62.9Low51 Ų5197.4 Ų97.442%0.42156%0.562SS.*Hα-helixtrans-65.9-41.3174.200000112.5Y17 Q19 D23 S24 D25Y17-A21 PolarHBondContact O-N 3.27Å; Q19-A21 VanDerWaalsContact C-N 3.3Å; Q19-A21 PolarHBondContact O-N 3.15Å; A21-D23 VanDerWaalsContact C-N 3.3Å; A21-D23 PolarHBondContact O-N 3.23Å; A21-S24 PolarHBondContact O-N 3.27Å; A21-S24 PolarHBondContact O-OG 3.26Å; A21-D25 PolarHBondContact O-N 3.29Å
22A56.3Low61.3Low53 Ų5398.4 Ų98.444%0.43858%0.575SS.*Hα-helixtrans-66.4-32.7-179.900000112.7A18 Q19A18-A22 PolarHBondContact O-N 3.11Å; Q19-A22 PolarHBondContact O-N 3.37Å; Q19-A22 VanDerWaalsContact O-N 3.15Å
23D56.1Low59.6Low105 Ų10597.1 Ų97.156%0.56158%0.575SS**Hα-helixtrans-72.9-35.3176.7-71.8-19.6000111.5Q19 D20 A21 L26 E27Q19-D23 PolarHBondContact O-N 3.29Å; Q19-D23 VanDerWaalsContact O-N 3.11Å; D20-D23 PolarHBondContact O-N 3.26Å; A21-D23 VanDerWaalsContact C-N 3.3Å; A21-D23 PolarHBondContact O-N 3.23Å; D23-L26 PolarHBondContact O-N 3.42Å; D23-E27 PolarHBondContact O-N 3.5Å
24S54.8Low57.3Low67 Ų6797.2 Ų97.247%0.46959%0.585SS.*Hα-helixtrans-66.6-36.5177.368.70000113.9D20 A21 L26 E27 Q28D20-S24 PolarHBondContact O-N 3.25Å; A21-S24 PolarHBondContact O-N 3.27Å; A21-S24 PolarHBondContact O-OG 3.26Å; S24-L26 PolarHBondContact O-N 2.76Å; S24-E27 PolarHBondContact O-N 3.03Å; S24-Q28 PolarHBondContact O-N 3.37Å
25D54.5Low55.8Low106 Ų10696.4 Ų96.457%0.56759%0.587SS**Hα-helixtrans-66.2-29.9175.8-73-17.5000111.4A21 V29A21-D25 PolarHBondContact O-N 3.29Å; D25-V29 VanDerWaalsContact O-CG2 3.23Å; D25-V29 WeakPolarHBondContact O-CG2 3.21Å; D25-V29 PolarHBondContact O-N 2.94Å
26L50.3Low54.3Low124 Ų124101 Ų10165%0.64961%0.607SS**Hα-helixtrans-75.7-38.6-179.2-113.5152.1000112.7D23 S24 V29 A30D23-L26 PolarHBondContact O-N 3.42Å; S24-L26 PolarHBondContact O-N 2.76Å; L26-V29 PolarHBondContact O-N 3.09Å; L26-A30 PolarHBondContact O-N 2.72Å
27E47.4Very low53.1Low156 Ų156103.1 Ų103.173%0.72962%0.624SS**Hα-helixtrans-69.7-35.5174.8-76.9-159.215800112.6D23 S24 V29 A30 S31D23-E27 PolarHBondContact O-N 3.5Å; S24-E27 PolarHBondContact O-N 3.03Å; E27-V29 VanDerWaalsContact C-N 3.3Å; E27-V29 PolarHBondContact O-N 3.11Å; E27-A30 PolarHBondContact O-N 3.17Å; E27-A30 VanDerWaalsContact O-N 3.16Å; E27-S31 PolarHBondContact O-N 2.76Å; E27-S31 VanDerWaalsContact O-N 3.11Å
28Q44.9Very low51.9Low138 Ų138101.3 Ų101.365%0.64563%0.63SS**Hα-helixtrans-64.8-37.1177.4-168.4171.56.800111.5S24 A30 S31 A32S24-Q28 PolarHBondContact O-N 3.37Å; Q28-A30 VanDerWaalsContact C-N 3.33Å; Q28-A30 PolarHBondContact O-N 2.82Å; Q28-S31 PolarHBondContact O-N 2.84Å; Q28-S31 PolarHBondContact O-OG 2.81Å; Q28-A32 PolarHBondContact O-N 2.96Å
29V52.3Low51.2Low109 Ų109102.2 Ų102.266%0.66164%0.637SS**Hα-helixtrans-66.7-34.5174.8177.30000111.7D25 L26 E27D25-V29 VanDerWaalsContact O-CG2 3.23Å; D25-V29 WeakPolarHBondContact O-CG2 3.21Å; D25-V29 PolarHBondContact O-N 2.94Å; L26-V29 PolarHBondContact O-N 3.09Å; E27-V29 VanDerWaalsContact C-N 3.3Å; E27-V29 PolarHBondContact O-N 3.11Å
30A51.1Low51Low64 Ų64101 Ų10153%0.52964%0.639SS.*Hα-helixtrans-67.7-41.3177.600000112.1L26 E27 Q28 A32 S33L26-A30 PolarHBondContact O-N 2.72Å; E27-A30 PolarHBondContact O-N 3.17Å; E27-A30 VanDerWaalsContact O-N 3.16Å; Q28-A30 VanDerWaalsContact C-N 3.33Å; Q28-A30 PolarHBondContact O-N 2.82Å; A30-A32 PolarHBondContact O-N 3.5Å; A30-S33 PolarHBondContact O-N 3.49Å; A30-S33 PolarHBondContact O-OG 3.26Å
31S48.8Very low50.7Low89 Ų89103.6 Ų103.662%0.62265%0.647SS**Hα-helixtrans-70.3-27.4-178.8690000114.5E27 Q28 S33E27-S31 PolarHBondContact O-N 2.76Å; E27-S31 VanDerWaalsContact O-N 3.11Å; Q28-S31 PolarHBondContact O-N 2.84Å; Q28-S31 PolarHBondContact O-OG 2.81Å; S31-S33 PolarHBondContact O-N 3.1Å; S31-S33 VanDerWaalsContact O-N 3.16Å
32A52.3Low50.5Low90 Ų90107.6 Ų107.674%0.74466%0.662SS**THydrogen-bonded Turntrans-72.2-3.9177.700000114Q28 A30Q28-A32 PolarHBondContact O-N 2.96Å; A30-A32 PolarHBondContact O-N 3.5Å
33S49.4Very low50.3Low89 Ų89112.5 Ų112.562%0.62268%0.676SS**THydrogen-bonded Turntrans-101.49.1-175.671.50000115.1A30 S31 P35A30-S33 PolarHBondContact O-N 3.49Å; A30-S33 PolarHBondContact O-OG 3.26Å; S31-S33 PolarHBondContact O-N 3.1Å; S31-S33 VanDerWaalsContact O-N 3.16Å; S33-P35 WeakPolarHBondContact O-CD 3.49Å
34A40.9Very low50.2Low85 Ų85112.6 Ų112.670%0.70268%0.68SS**  trans-9982.6170.200000110.3D36A34-D36 PolarHBondContact O-N 3.45Å
35P51.5Low50.1Low111 Ų111113.6 Ų113.672%0.72169%0.687SS**  trans-63.8128.7169.727.4-32.3000108.7S33 A37S33-P35 WeakPolarHBondContact O-CD 3.49Å; P35-A37 PolarHBondContact O-N 3.03Å
36D46Very low50Low157 Ų157112.4 Ų112.484%0.8469%0.691SS**  trans-34.7103.3172.4-80.3-50.3000111.7A34 V38A34-D36 PolarHBondContact O-N 3.45Å; D36-V38 PolarHBondContact O-N 3.11Å
37A47.3Very low50.1Low96 Ų96109.9 Ų109.979%0.79369%0.688SS**  trans-77.644.8177.900000111.4P35P35-A37 PolarHBondContact O-N 3.03Å
38V47.4Very low50.3Low126 Ų126107.2 Ų107.276%0.76469%0.687SS**  trans-132.884-179-169.50000108.4D36D36-V38 PolarHBondContact O-N 3.11Å
39A50.2Low50.7Low80 Ų80105.6 Ų105.666%0.66169%0.691SS**SBendtrans161.625.8152.600000114
40V55.5Low50.3Low109 Ų109110.8 Ų110.866%0.66170%0.7SS**SBendtrans-90.4-21.3179-176.40000113D42V40-D42 VanDerWaalsContact C-N 3.3Å; V40-D42 PolarHBondContact O-N 3.36Å
41E51Low50.1Low170 Ų170111.6 Ų111.679%0.79471%0.707SS**G310 helixtrans-62-30.5-179.2-96.678.5-159.300114.8Q43E41-Q43 PolarHBondContact O-N 3.49Å
42D52.3Low50.1Low136 Ų136112.3 Ų112.373%0.72771%0.709SS**G310 helixtrans-83.1-12.2-169.3-13911.6000114.1V40V40-D42 VanDerWaalsContact C-N 3.3Å; V40-D42 PolarHBondContact O-N 3.36Å
43Q52.9Low50Low155 Ų155115.6 Ų115.672%0.72471%0.714SS**G310 helixtrans-81.5-20.5-178.7-77.7-169.5-11.700114.2E41E41-Q43 PolarHBondContact O-N 3.49Å
44V53.7Low50Low108 Ų108118.7 Ų118.766%0.65572%0.718SS**THydrogen-bonded Turntrans-78.1-29.5-175.7-164.60000111.6A46 A47V44-A46 VanDerWaalsContact C-N 3.3Å; V44-A46 PolarHBondContact O-N 3.16Å; V44-A47 PolarHBondContact O-N 3.41Å
45S52.9Low50.5Low88 Ų88121.5 Ų121.562%0.61572%0.721SS**THydrogen-bonded Turntrans-72.7-20.5179-61.40000113.8A47S45-A47 VanDerWaalsContact C-N 3.32Å
46A52.5Low50.4Low80 Ų80124.8 Ų124.866%0.66172%0.724SS**THydrogen-bonded Turntrans-77.9-16175.900000113.1V44V44-A46 VanDerWaalsContact C-N 3.3Å; V44-A46 PolarHBondContact O-N 3.16Å
47A52.4Low50.7Low71 Ų71126.9 Ų126.959%0.58773%0.726SS**SBendtrans-87.1-12-174.200000114.5V44 S45V44-A47 PolarHBondContact O-N 3.41Å; S45-A47 VanDerWaalsContact C-N 3.32Å
48S50.4Low51.1Low101 Ų101131 Ų13171%0.70673%0.729SS**  trans-106.212.5-17259.50000115.9Y50S48-Y50 VanDerWaalsContact C-N 3.31Å; S48-Y50 PolarHBondContact O-N 3.35Å
49S53.3Low51.4Low103 Ų103134.1 Ų134.172%0.7274%0.735SS**  trans-93.942.2172.776.70000113.1A51S49-A51 PolarHBondContact O-N 3.32Å; S49-A51 VanDerWaalsContact O-N 3.14Å
50Y44.4Very low51.7Low219 Ų219139.8 Ų139.886%0.85975%0.745SS**  trans-83.469.2161.4-82.8-84000109S48S48-Y50 VanDerWaalsContact C-N 3.31Å; S48-Y50 PolarHBondContact O-N 3.35Å
51A46.1Very low51.9Low81 Ų81145.5 Ų145.567%0.66975%0.754SS**  trans-67.7121.7159.800000107.2S49 L53S49-A51 PolarHBondContact O-N 3.32Å; S49-A51 VanDerWaalsContact O-N 3.14Å; A51-L53 PolarHBondContact O-N 2.87Å
52P49.7Very low51.7Low103 Ų103147.8 Ų147.867%0.66976%0.758SS**  trans-62.8127.6-177.324.9-31.6000108.7Q54P52-Q54 PolarHBondContact O-N 3.4Å
53L51Low51.9Low159 Ų159147.4 Ų147.483%0.83276%0.76SS**  trans-60.473.6174.5-74.8136.1000110.5A51A51-L53 PolarHBondContact O-N 2.87Å
54Q49.4Very low51.5Low154 Ų154142.6 Ų142.672%0.7275%0.752SS**  trans-70.8127.1163.2-67.9-179.4-6.400106.9P52P52-Q54 PolarHBondContact O-N 3.4Å
55D49.7Very low51.2Low144 Ų144141 Ų14177%0.7776%0.757SS**  trans82.231.2154.7-48.1-29.4000120.3K57D55-K57 PolarHBondContact O-N 2.75Å
56K50.1Low50.8Low180 Ų180148.1 Ų148.178%0.78377%0.772SS**  trans-93.187.8153.3-74.8-173.7-178.3175.90110Q58K56-Q58 PolarHBondContact O-N 3.06Å
57K51.7Low50.3Low202 Ų202147.6 Ų147.688%0.87877%0.774SS**  trans-41.698.7166.9-64.8177.4-179.4178.80109D55 E59D55-K57 PolarHBondContact O-N 2.75Å; K57-E59 VanDerWaalsContact C-N 3.32Å; K57-E59 PolarHBondContact O-N 3.07Å
58Q56.8Low49.9Very low183 Ų183148 Ų14886%0.85579%0.786SS**  trans-67.497.6173.4-74.9-177.5-7.700106.9K56 K60K56-Q58 PolarHBondContact O-N 3.06Å; Q58-K60 PolarHBondContact O-N 3.33Å
59E53.7Low49.7Very low190 Ų190154.5 Ų154.589%0.88880%0.796SS**  trans-52.5105.4166.5-118.5174.4-175.600107.2K57 R61K57-E59 VanDerWaalsContact C-N 3.32Å; K57-E59 PolarHBondContact O-N 3.07Å; E59-R61 VanDerWaalsContact C-N 3.27Å; E59-R61 PolarHBondContact O-N 3.42Å
60K57.3Low49.3Very low200 Ų200153 Ų15387%0.8780%0.797SS**  trans-63.393.3177.3-69.4-175.2178.1-178.20107.2Q58 Y62Q58-K60 PolarHBondContact O-N 3.33Å; K60-Y62 VanDerWaalsContact C-N 3.33Å; K60-Y62 PolarHBondContact O-N 2.73Å
61R58.8Low49.3Very low228 Ų228146.9 Ų146.986%0.8679%0.792SS**  trans-64.599.9168.6-159179.2-67.7177.9-1106.3E59 V63E59-R61 VanDerWaalsContact C-N 3.27Å; E59-R61 PolarHBondContact O-N 3.42Å; R61-V63 PolarHBondContact O-N 2.83Å
62Y46.4Very low49.2Very low219 Ų219146.5 Ų146.586%0.85980%0.796SS**  trans-6493.9178.8-165.5-93.7000108.4K60 G64K60-Y62 VanDerWaalsContact C-N 3.33Å; K60-Y62 PolarHBondContact O-N 2.73Å; Y62-G64 PolarHBondContact O-N 3.16Å
63V57.4Low49Very low128 Ų128152.5 Ų152.578%0.77681%0.807SS**  trans-83.998.6170.5-179.60000106.5R61 G65R61-V63 PolarHBondContact O-N 2.83Å; V63-G65 PolarHBondContact O-N 3.37Å; V63-G65 VanDerWaalsContact O-N 3.1Å
64G43.9Very low48.7Very low54 Ų54148.4 Ų148.456%0.55780%0.803SS**  trans-63.6106.1175.100000110.9Y62Y62-G64 PolarHBondContact O-N 3.16Å
65G47.8Very low48.5Very low74 Ų74145.5 Ų145.576%0.76381%0.805SS**  trans-90106164.600000109.5V63V63-G65 PolarHBondContact O-N 3.37Å; V63-G65 VanDerWaalsContact O-N 3.1Å
66Y44.2Very low48Very low237 Ų237142.3 Ų142.393%0.92981%0.807SS**  trans-63.1138.2169.2-94.3-99.6000110.5
67G41.6Very low47.7Very low69 Ų69144.3 Ų144.371%0.71181%0.811SS**  trans-65.1145.9-169.500000115.8
68G43.6Very low47.2Very low80 Ų80138.5 Ų138.583%0.82581%0.808SS**  trans-122.992.4156.800000108.2G70G68-G70 PolarHBondContact O-N 3.46Å
69Y47.2Very low46.4Very low237 Ų237133 Ų13393%0.92980%0.801SS**  trans-66.1110.6166.1-73.9-96.4000108
70G44.5Very low46Very low71 Ų71135 Ų13573%0.73280%0.802SS**  trans-148.361.7178.700000110.6G68 G72G68-G70 PolarHBondContact O-N 3.46Å; G70-G72 VanDerWaalsContact C-N 3.26Å; G70-G72 PolarHBondContact O-N 3Å
71A45.4Very low45.1Very low91 Ų91129.2 Ų129.275%0.75280%0.799SS**  trans-68.583.4169.600000109.6Y73A71-Y73 HydrophobicContact CB-CD2 4.49Å; A71-Y73 HydrophobicContact CB-CE2 4.27Å; A71-Y73 PolarHBondContact O-N 2.89Å
72G43.8Very low44.4Very low73 Ų73123.1 Ų123.175%0.75380%0.798SS**  trans-90.288.7166.700000109.9G70 G74G70-G72 VanDerWaalsContact C-N 3.26Å; G70-G72 PolarHBondContact O-N 3Å; G72-G74 PolarHBondContact O-N 3.5Å; G72-G74 VanDerWaalsContact O-N 3.16Å
73Y45.3Very low44Very low229 Ų229116 Ų11690%0.89879%0.791SS**  trans-61109.5165.2-75.3-96.4000108.9A71A71-Y73 HydrophobicContact CB-CD2 4.49Å; A71-Y73 HydrophobicContact CB-CE2 4.27Å; A71-Y73 PolarHBondContact O-N 2.89Å
74G44Very low43.3Very low74 Ų74120.7 Ų120.776%0.76380%0.796SS**  trans-141.567.7178.500000110.8G72 G76G72-G74 PolarHBondContact O-N 3.5Å; G72-G74 VanDerWaalsContact O-N 3.16Å; G74-G76 PolarHBondContact O-N 3.08Å
75A44.6Very low43.1Very low92 Ų92122.2 Ų122.276%0.7681%0.812SS**  trans-68.790.717000000109.8Y77A75-Y77 HydrophobicContact CB-CD2 4.3Å; A75-Y77 HydrophobicContact CB-CE2 4.49Å
76G40.9Very low42.8Very low78 Ų78123.7 Ų123.780%0.80482%0.817SS**  trans-96.472.3166.600000110.8G74 G78G74-G76 PolarHBondContact O-N 3.08Å; G76-G78 PolarHBondContact O-N 2.88Å
77Y43.2Very low42.5Very low221 Ų221115.2 Ų115.287%0.86780%0.801SS**  trans-76.5105.3163-75.5-89000107.8A75A75-Y77 HydrophobicContact CB-CD2 4.3Å; A75-Y77 HydrophobicContact CB-CE2 4.49Å
78G41.2Very low42.2Very low80 Ų80122.8 Ų122.883%0.82581%0.81SS**  trans-171.574179.500000111.8G76G76-G78 PolarHBondContact O-N 2.88Å
79G39.6Very low41.8Very low68 Ų68122.9 Ų122.970%0.70181%0.811SS**  trans-161.151.4-178.600000112.8
80Y44.3Very low41.3Very low232 Ų232114.8 Ų114.891%0.9180%0.8SS**  trans-124.8117.4168.7-65.9-77000109.8
81G39.8Very low41.1Very low78 Ų78121.6 Ų121.680%0.80481%0.805SS**  trans93.998.5146.700000117.3
82A44Very low40.8Very low101 Ų101121.9 Ų121.984%0.83581%0.807SS**  trans-17057.8135.800000109.8
83G38.4Very low40.7Very low70 Ų70123.1 Ų123.172%0.72281%0.805SS**  trans-100.781.4167.400000109.9
84Y41.3Very low40.6Very low226 Ų226115.7 Ų115.789%0.88680%0.798SS**  trans-143.4103.5162.2-60.1-78.3000104.3
85G39.7Very low40.2Very low86 Ų86120.2 Ų120.289%0.88780%0.804SS**  82.860.966.100000109.8
86A42.9Very low39.8Very low105 Ų105119.3 Ų119.387%0.86880%0.803SS**  trans-119.384.8167.300000108
87G36.3Very low39.9Very low58 Ų58119.6 Ų119.660%0.59880%0.798SS**  trans-75.7163.1168.300000112
88Y36Very low39.6Very low228 Ų228112.9 Ų112.989%0.89480%0.796SS**  trans69101.9158.1-57.1-81.4000117.6
89G34.9Very low39.3Very low82 Ų82120 Ų12085%0.84580%0.8SS**  trans166.7100.2157.800000112.8
90G36.8Very low39.1Very low68 Ų68120.3 Ų120.370%0.70180%0.804SS**  trans166.137.4170.100000117.3A92G90-A92 PolarHBondContact O-N 2.8Å
91Y40.7Very low38.6Very low213 Ų213112.5 Ų112.584%0.83579%0.794SS**  trans-72.274.4159.5-35.6-81.4000107.9S93Y91-S93 VanDerWaalsContact C-N 3.26Å; Y91-S93 PolarHBondContact O-N 2.78Å
92A38.2Very low38.4Very low97 Ų97112.4 Ų112.480%0.80279%0.785SS**  trans-8086.2169.300000107.6G90 G94G90-A92 PolarHBondContact O-N 2.8Å; A92-G94 PolarHBondContact O-N 3.37Å
93S42.9Very low38Very low100 Ų100118.4 Ų118.470%0.69979%0.788SS**  trans-54.883.9158.4162.50000109.3Y91 L95Y91-S93 VanDerWaalsContact C-N 3.26Å; Y91-S93 PolarHBondContact O-N 2.78Å; S93-L95 VanDerWaalsContact C-N 3.28Å; S93-L95 PolarHBondContact O-N 3.2Å; S93-L95 VanDerWaalsContact O-N 3.11Å
94G43.1Very low37.7Very low73 Ų73118.7 Ų118.775%0.75379%0.791SS**  trans-79.876.4168.200000110.3A92 G96A92-G94 PolarHBondContact O-N 3.37Å; G94-G96 PolarHBondContact O-N 2.99Å
95L36.1Very low37.7Very low168 Ų168114.4 Ų114.488%0.8879%0.794SS**  trans-56.8101.9155.5-91.9143.2000107.8S93S93-L95 VanDerWaalsContact C-N 3.28Å; S93-L95 PolarHBondContact O-N 3.2Å; S93-L95 VanDerWaalsContact O-N 3.11Å
96G36.2Very low37.8Very low73 Ų73113.8 Ų113.875%0.75379%0.787SS**  trans-139.787177.700000109.7G94 G98G94-G96 PolarHBondContact O-N 2.99Å; G96-G98 PolarHBondContact O-N 3.3Å
97A41.9Very low37.4Very low85 Ų85116.3 Ų116.370%0.70279%0.791SS**  trans-55.3110.9-179.800000112.6Y99A97-Y99 HydrophobicContact CB-CD2 4.18Å; A97-Y99 HydrophobicContact CB-CE2 4.23Å; A97-Y99 PolarHBondContact O-N 2.9Å
98G36.7Very low37.5Very low80 Ų80116.9 Ų116.983%0.82580%0.797SS**  trans-8890.7159.900000109.5G96 G100G96-G98 PolarHBondContact O-N 3.3Å; G98-G100 PolarHBondContact O-N 2.72Å
99Y35.7Very low37.4Very low228 Ų228113.3 Ų113.389%0.89480%0.799SS**  trans-57.6120.9168.1-88.3-100.9000110.3A97A97-Y99 HydrophobicContact CB-CD2 4.18Å; A97-Y99 HydrophobicContact CB-CE2 4.23Å; A97-Y99 PolarHBondContact O-N 2.9Å
100G34.2Very low37.3Very low76 Ų76112.3 Ų112.378%0.78479%0.789SS**  trans-16249.417600000111.1G98G98-G100 PolarHBondContact O-N 2.72Å
101G34.4Very low37.3Very low68 Ų68115.4 Ų115.470%0.70179%0.794SS**  trans-73.4128.5172.800000110.8
102A36Very low37.3Very low76 Ų76112.5 Ų112.563%0.62879%0.793SS**  trans-15690.9162.800000111.2
103Y34.8Very low37.6Very low227 Ų227113.6 Ų113.689%0.8979%0.794SS**  trans53.2111.7138.5-28.3-70000118.9
104G32Very low37.6Very low76 Ų76119.2 Ų119.278%0.78480%0.802SS**  trans-18064.7167.800000117.4
105S41.6Very low37.8Very low135 Ų135125.7 Ų125.794%0.94481%0.805SS**  trans68.6119.4148-158.60000120.3
106G41.6Very low38.1Very low73 Ų73122.5 Ų122.575%0.75379%0.789SS**  trans131.177.215600000115.9
107V35.8Very low39Very low158 Ų158122.7 Ų122.796%0.95878%0.777SS**  trans-50.5139171.5174.40000112.9
108G38Very low39.1Very low70 Ų70128.1 Ų128.172%0.72278%0.781SS**  trans163.951163.400000116.5G110G108-G110 PolarHBondContact O-N 2.93Å
109V34.5Very low39.5Very low153 Ų153128.7 Ų128.793%0.92777%0.772SS**  trans-67.2120.6167178.90000108.9
110G33.1Very low39.9Very low62 Ų62122.7 Ų122.764%0.63976%0.763SS**  trans66.2102.1144.100000118G108G108-G110 PolarHBondContact O-N 2.93Å
111V36Very low40.6Very low132 Ų132126.8 Ų126.880%0.876%0.755SS**  -159.3134.3118.9-104.40000108.1S113V111-S113 PolarHBondContact O-N 3.35Å
112D40.3Very low41Very low153 Ų153127.5 Ų127.582%0.81876%0.755SS**  trans-44.190.1180-54.6-69.8000112.2Y114D112-Y114 PolarHBondContact O-N 3.35Å
113S45Very low41.3Very low119 Ų119131 Ų13183%0.83276%0.762SS**  trans-75.287.7167.7-72.40000106.6V111 Y115V111-S113 PolarHBondContact O-N 3.35Å; S113-Y115 PolarHBondContact O-N 3.37Å; S113-Y115 VanDerWaalsContact O-N 3.08Å
114Y42Very low41.6Very low219 Ų219122.3 Ų122.386%0.85974%0.741SS**  trans-31.6116.8164-99.9-100.7000109.2D112 N116D112-Y114 PolarHBondContact O-N 3.35Å; Y114-N116 PolarHBondContact O-N 3.44Å
115Y47.9Very low41.8Very low208 Ų208120.9 Ų120.982%0.81673%0.727SS**  trans-26.597.6173.7-175-98.6000111.7S113 P117S113-Y115 PolarHBondContact O-N 3.37Å; S113-Y115 VanDerWaalsContact O-N 3.08Å; Y115-P117 HydrophobicContact CD1-CB 4.32Å; Y115-P117 HydrophobicContact CD1-CG 4.23Å; Y115-P117 HydrophobicContact CE1-CB 3.73Å; Y115-P117 HydrophobicContact CE1-CG 3.96Å; Y115-P117 WeakPolarHBondContact O-CD 3Å
116N43.5Very low41.7Very low102 Ų102123.1 Ų123.155%0.54573%0.727SS.*  trans-98.696.9168.2-173.9-7.3000107.3Y114 Y118 S119Y114-N116 PolarHBondContact O-N 3.44Å; N116-Y118 PolarHBondContact O-N 2.87Å; N116-Y118 VanDerWaalsContact O-N 3.11Å; N116-Y118 WeakPolarHBondContact OD1-CA 3.23Å; N116-Y118 PolarHBondContact OD1-N 3.45Å; N116-S119 PolarHBondContact O-N 3.37Å; N116-S119 VanDerWaalsContact O-N 3.09Å
117P55.1Low41.5Very low77 Ų77121.3 Ų121.350%0.571%0.708SS.*THydrogen-bonded Turntrans-67.9-9.3-179.429.3-34.5000112.5Y115Y115-P117 HydrophobicContact CD1-CB 4.32Å; Y115-P117 HydrophobicContact CD1-CG 4.23Å; Y115-P117 HydrophobicContact CE1-CB 3.73Å; Y115-P117 HydrophobicContact CE1-CG 3.96Å; Y115-P117 WeakPolarHBondContact O-CD 3Å
118Y44.2Very low42.3Very low198 Ų198123.8 Ų123.878%0.77671%0.71SS**THydrogen-bonded Turntrans-104.916.3176-51.7-73000113N116 S120N116-Y118 PolarHBondContact O-N 2.87Å; N116-Y118 VanDerWaalsContact O-N 3.11Å; N116-Y118 WeakPolarHBondContact OD1-CA 3.23Å; N116-Y118 PolarHBondContact OD1-N 3.45Å; Y118-S120 PolarHBondContact O-N 3Å
119S43.4Very low42.7Very low93 Ų93127.6 Ų127.665%0.6571%0.713SS**  trans-67.873.6152.5-169.40000106.8N116 R121N116-S119 PolarHBondContact O-N 3.37Å; N116-S119 VanDerWaalsContact O-N 3.09Å; S119-R121 VanDerWaalsContact C-N 3.26Å; S119-R121 PolarHBondContact O-N 3.39Å
120S45.6Very low42.7Very low101 Ų101123.8 Ų123.871%0.70671%0.705SS**  trans-58.4100.3173.951.40000105Y118 A122Y118-S120 PolarHBondContact O-N 3Å; S120-A122 PolarHBondContact O-N 2.87Å
121R48.4Very low43Very low163 Ų163124.8 Ų124.862%0.61571%0.707SS**  trans-18.6107160-62.3167.3-155.2-108.4-0.9107.3S119 L123 G135 Y136S119-R121 VanDerWaalsContact C-N 3.26Å; S119-R121 PolarHBondContact O-N 3.39Å; R121-L123 PolarHBondContact O-N 2.9Å; R121-L123 VanDerWaalsContact O-N 3.1Å; R121-G135 WeakPolarHBondContact CD-O 3.42Å; R121-Y136 VanDerWaalsContact C-OH 3.23Å; R121-Y136 HydrophobicContact CB-CE1 3.71Å; R121-Y136 PolarHBondContact O-OH 3.24Å
122A42.5Very low43.3Very low83 Ų83123.3 Ų123.369%0.68671%0.709SS**  trans-55.3118.2174.800000106.3S120 G124 Y136S120-A122 PolarHBondContact O-N 2.87Å; A122-G124 PolarHBondContact O-N 2.78Å; A122-Y136 PolarHBondContact O-OH 3.11Å
123L43.2Very low43.4Very low149 Ų149120.3 Ų120.378%0.7870%0.696SS**  trans-73.650.6171.9-141.1113.8000108.7R121 Y136R121-L123 PolarHBondContact O-N 2.9Å; R121-L123 VanDerWaalsContact O-N 3.1Å; L123-Y136 WeakPolarHBondContact CA-OH 3.48Å; L123-Y136 HydrophobicContact CD1-CD1 4.06Å; L123-Y136 HydrophobicContact CD1-CD2 4.29Å; L123-Y136 HydrophobicContact CD1-CE1 3.49Å; L123-Y136 VanDerWaalsContact CD1-CE1 3.49Å; L123-Y136 HydrophobicContact CD1-CE2 3.75Å; L123-Y136 HydrophobicContact CD1-CG 4.46Å; L123-Y136 HydrophobicContact CG-CE1 4.39Å; L123-Y136 HydrophobicContact CG-CE2 3.93Å; L123-Y136 PolarHBondContact N-OH 3.43Å
124G39.8Very low43.3Very low44 Ų44119.5 Ų119.545%0.45470%0.697SS.*  trans-97.2103.9161.300000104.2A122A122-G124 PolarHBondContact O-N 2.78Å
125G37.6Very low43.1Very low47 Ų47110.4 Ų110.449%0.48567%0.67SS.*  131.4107.351.500000101.4G127G125-G127 PolarHBondContact O-N 2.9Å
126L38.4Very low42.8Very low181 Ų181106.3 Ų106.395%0.94865%0.654SS**  trans-59.894.4162-65.2165.1000104E128L126-E128 PolarHBondContact O-N 2.99Å
127G37.4Very low42.4Very low35 Ų35104.4 Ų104.436%0.36166%0.658SS.*  trans-54.4132166.600000106G125 D129 G130G125-G127 PolarHBondContact O-N 2.9Å; G127-D129 PolarHBondContact O-N 3.48Å; G127-G130 PolarHBondContact O-N 2.84Å
128E52.3Low41.5Very low210 Ų210103.4 Ų103.498%0.98166%0.662SS**THydrogen-bonded Turntrans-62.72.3174.1-67.2167.1167.500111.5L126L126-E128 PolarHBondContact O-N 2.99Å
129D47.7Very low41.1Very low150 Ų150105.6 Ų105.680%0.80267%0.67SS**THydrogen-bonded Turntrans-121.416.1178.238.1-8000114.3G127 A131G127-D129 PolarHBondContact O-N 3.48Å; D129-A131 PolarHBondContact O-N 3.4Å
130G33.6Very low40.7Very low73 Ų73103.3 Ų103.375%0.75366%0.662SS**  trans7522.1151.500000118.2G127G127-G130 PolarHBondContact O-N 2.84Å
131A39.8Very low40.5Very low83 Ų83103.4 Ų103.469%0.68666%0.662SS**  trans-90.7108.8169.600000111D129 V133D129-A131 PolarHBondContact O-N 3.4Å; A131-V133 PolarHBondContact O-N 2.81Å
132A41.1Very low40.3Very low102 Ų102101.6 Ų101.684%0.84367%0.669SS**  trans-42.2122.1-177.400000115.6
133V42.3Very low40.3Very low90 Ų90104.7 Ų104.755%0.54567%0.673SS.*  trans-10592.6158.1177.60000108.5A131 G135A131-V133 PolarHBondContact O-N 2.81Å; V133-G135 PolarHBondContact O-N 2.79Å
134A44.2Very low40.1Very low102 Ų10299 Ų9984%0.84365%0.651SS**  trans-57.7118.1161.600000109.5
135G38.3Very low39.8Very low28 Ų2899.2 Ų99.229%0.28965%0.653SS.*  trans149.960.4160.700000117.7R121 V133R121-G135 WeakPolarHBondContact CD-O 3.42Å; V133-G135 PolarHBondContact O-N 2.79Å
136Y41Very low39.9Very low122 Ų122105.5 Ų105.548%0.47866%0.664SS.*  trans-131.877.3154.1-70.3-70.9000110.8R121 A122 L123R121-Y136 VanDerWaalsContact C-OH 3.23Å; R121-Y136 HydrophobicContact CB-CE1 3.71Å; R121-Y136 PolarHBondContact O-OH 3.24Å; A122-Y136 PolarHBondContact O-OH 3.11Å; L123-Y136 WeakPolarHBondContact CA-OH 3.48Å; L123-Y136 HydrophobicContact CD1-CD1 4.06Å; L123-Y136 HydrophobicContact CD1-CD2 4.29Å; L123-Y136 HydrophobicContact CD1-CE1 3.49Å; L123-Y136 VanDerWaalsContact CD1-CE1 3.49Å; L123-Y136 HydrophobicContact CD1-CE2 3.75Å; L123-Y136 HydrophobicContact CD1-CG 4.46Å; L123-Y136 HydrophobicContact CG-CE1 4.39Å; L123-Y136 HydrophobicContact CG-CE2 3.93Å; L123-Y136 PolarHBondContact N-OH 3.43Å
137G35Very low39.9Very low61 Ų6199 Ų9963%0.62964%0.64SS**  trans-73.2151.5146.800000109.5
138G35.6Very low40.2Very low57 Ų57101.5 Ų101.559%0.58865%0.652SS**  trans164.2-18.7157.500000120.3
139Y36.4Very low39.8Very low244 Ų24493.8 Ų93.896%0.95762%0.624SS**SBendtrans-129.622.5-179.2-66.5-71.8000114.5
140G35.3Very low39.7Very low45 Ų4592.8 Ų92.846%0.46462%0.618SS.*  trans-111.53.8177.400000114.9T142 L143 G144G140-T142 VanDerWaalsContact C-N 3.28Å; G140-T142 PolarHBondContact O-N 2.83Å; G140-T142 VanDerWaalsContact O-N 3.17Å; G140-L143 CarbonylContact O-C 3.58Å; G140-L143 PolarHBondContact O-N 3.25Å; G140-L143 VanDerWaalsContact O-N 3.07Å; G140-G144 PolarHBondContact O-N 2.91Å
141S41Very low40.1Very low103 Ų10391 Ų9172%0.7260%0.6SS**THydrogen-bonded Turntrans-70.7-12.4-165.240.10000115.8
142T43.1Very low39.9Very low125 Ų12588.9 Ų88.977%0.76759%0.586SS**THydrogen-bonded Turntrans-88.2-26169.3-290000112.9G140G140-T142 VanDerWaalsContact C-N 3.28Å; G140-T142 PolarHBondContact O-N 2.83Å; G140-T142 VanDerWaalsContact O-N 3.17Å
143L42.8Very low40Very low147 Ų14791.7 Ų91.777%0.7758%0.576SS**THydrogen-bonded Turntrans-86.5-20.2168.5-102.393.6000112.8G140 G145 Y146 G147G140-L143 CarbonylContact O-C 3.58Å; G140-L143 PolarHBondContact O-N 3.25Å; G140-L143 VanDerWaalsContact O-N 3.07Å; L143-G145 VanDerWaalsContact C-N 3.29Å; L143-G145 PolarHBondContact O-N 3.5Å; L143-Y146 PolarHBondContact O-N 3.35Å; L143-G147 PolarHBondContact O-N 2.98Å
144G40.5Very low39.8Very low31 Ų3189.5 Ų89.532%0.3257%0.572SS.*Hα-helixtrans-67.1-26.8178.600000113.3G140 G147 S148G140-G144 PolarHBondContact O-N 2.91Å; G144-G147 CarbonylContact O-C 3.54Å; G144-G147 PolarHBondContact O-N 3.3Å; G144-S148 WeakPolarHBondContact O-CB 3.39Å; G144-S148 PolarHBondContact O-N 2.77Å; G144-S148 PolarHBondContact O-OG 2.79Å
145G32.4Very low39.6Very low48 Ų4888.9 Ų88.950%0.49556%0.561SS.*Hα-helixtrans-65.1-40.6175.200000112.9L143 A149L143-G145 VanDerWaalsContact C-N 3.29Å; L143-G145 PolarHBondContact O-N 3.5Å; G145-A149 PolarHBondContact O-N 2.82Å
146Y39.3Very low39.9Very low179 Ų17989.6 Ų89.670%0.70257%0.565SS**Hα-helixtrans-76.7-30.5173.6-69.4-75.8000111.9L143 A149 L150L143-Y146 PolarHBondContact O-N 3.35Å; Y146-A149 PolarHBondContact O-N 3.32Å; Y146-L150 WeakPolarHBondContact O-CB 3.47Å; Y146-L150 PolarHBondContact O-N 3.12Å
147G39.6Very low40.1Very low43 Ų4390 Ų9044%0.44357%0.574SS.*Hα-helixtrans-65.7-36171.400000113.5L143 G144 G151L143-G147 PolarHBondContact O-N 2.98Å; G144-G147 CarbonylContact O-C 3.54Å; G144-G147 PolarHBondContact O-N 3.3Å; G147-G151 WeakPolarHBondContact O-CA 3.39Å; G147-G151 PolarHBondContact O-N 3.07Å
148S41.8Very low40.3Very low88 Ų8889.1 Ų89.162%0.61557%0.566SS**Hα-helixtrans-75.4-32175.5-580000112.3G144 G152G144-S148 WeakPolarHBondContact O-CB 3.39Å; G144-S148 PolarHBondContact O-N 2.77Å; G144-S148 PolarHBondContact O-OG 2.79Å; S148-G152 WeakPolarHBondContact O-CA 2.9Å; S148-G152 PolarHBondContact O-N 2.78Å
149A44.3Very low40.3Very low48 Ų4888.3 Ų88.340%0.39756%0.557SS.*Hα-helixtrans-65.9-48.7169.300000110.5G145 Y146 G152 Y153G145-A149 PolarHBondContact O-N 2.82Å; Y146-A149 PolarHBondContact O-N 3.32Å; A149-G152 PolarHBondContact O-N 3.39Å; A149-Y153 WeakPolarHBondContact O-CD2 3.26Å; A149-Y153 PolarHBondContact O-N 3.39Å
150L46Very low40.5Very low129 Ų12985.1 Ų85.168%0.67554%0.544SS*.Hα-helixtrans-70.8-33.8179.4-77.7161.6000113.7Y146 Y153 G154Y146-L150 WeakPolarHBondContact O-CB 3.47Å; Y146-L150 PolarHBondContact O-N 3.12Å; L150-Y153 PolarHBondContact O-N 3.46Å; L150-G154 PolarHBondContact O-N 2.93Å
151G42.3Very low40.6Very low36 Ų3685.2 Ų85.237%0.37155%0.545SS..Hα-helixtrans-73.9-30.917400000112.9G147 G154 S155G147-G151 WeakPolarHBondContact O-CA 3.39Å; G147-G151 PolarHBondContact O-N 3.07Å; G151-G154 PolarHBondContact O-N 3.16Å; G151-S155 WeakPolarHBondContact O-CB 2.97Å; G151-S155 PolarHBondContact O-N 3.09Å; G151-S155 PolarHBondContact O-OG 3.1Å
152G36.3Very low40.5Very low39 Ų3984.3 Ų84.340%0.40254%0.539SS..Hα-helixtrans-66.5-41.2169.400000112S148 A149 S155 A156S148-G152 WeakPolarHBondContact O-CA 2.9Å; S148-G152 PolarHBondContact O-N 2.78Å; A149-G152 PolarHBondContact O-N 3.39Å; G152-S155 PolarHBondContact O-N 2.65Å; G152-A156 VanDerWaalsContact O-CB 3.29Å; G152-A156 WeakPolarHBondContact O-CB 3.21Å; G152-A156 PolarHBondContact O-N 2.88Å
153Y41.4Very low40.4Very low161 Ų16180.4 Ų80.463%0.63152%0.523SS*.Hα-helixtrans-68.7-35.2171.3-73.1-66.9000112.4A149 L150 A156 L157A149-Y153 WeakPolarHBondContact O-CD2 3.26Å; A149-Y153 PolarHBondContact O-N 3.39Å; L150-Y153 PolarHBondContact O-N 3.46Å; Y153-A156 PolarHBondContact O-N 2.92Å; Y153-L157 WeakPolarHBondContact O-CB 3.42Å; Y153-L157 WeakPolarHBondContact O-CD1 3.42Å; Y153-L157 VanDerWaalsContact O-CG 3.26Å; Y153-L157 WeakPolarHBondContact O-CG 3.29Å; Y153-L157 PolarHBondContact O-N 3.4Å
154G39.7Very low40.6Very low44 Ų4480 Ų8045%0.45452%0.521SS..Hα-helixtrans-64.4-38.7172.600000113.1L150 G151 G158L150-G154 PolarHBondContact O-N 2.93Å; G151-G154 PolarHBondContact O-N 3.16Å; G154-G158 PolarHBondContact O-N 3.32Å
155S40.1Very low40.7Very low89 Ų8983.8 Ų83.862%0.62254%0.543SS*.Hα-helixtrans-76.9-33.9177.7-51.40000112.1G151 G152 G159G151-S155 WeakPolarHBondContact O-CB 2.97Å; G151-S155 PolarHBondContact O-N 3.09Å; G151-S155 PolarHBondContact O-OG 3.1Å; G152-S155 PolarHBondContact O-N 2.65Å; S155-G159 PolarHBondContact O-N 3.08Å
156A44.6Very low40.8Very low43 Ų4384.5 Ų84.536%0.35555%0.55SS.*Hα-helixtrans-66.2-45.1170.400000110.4G152 Y153 G158 G159 Y160G152-A156 VanDerWaalsContact O-CB 3.29Å; G152-A156 WeakPolarHBondContact O-CB 3.21Å; G152-A156 PolarHBondContact O-N 2.88Å; Y153-A156 PolarHBondContact O-N 2.92Å; A156-G158 PolarHBondContact O-N 2.9Å; A156-G159 PolarHBondContact O-N 2.76Å; A156-Y160 HydrophobicContact CB-CE2 4.37Å; A156-Y160 WeakPolarHBondContact O-CD2 2.91Å; A156-Y160 PolarHBondContact O-N 3.1Å
157L45Very low40.8Very low129 Ų12983.9 Ų83.968%0.67555%0.548SS*.Hα-helixtrans-67.8-34.7176.5-75162.7000112.7Y153 G161Y153-L157 WeakPolarHBondContact O-CB 3.42Å; Y153-L157 WeakPolarHBondContact O-CD1 3.42Å; Y153-L157 VanDerWaalsContact O-CG 3.26Å; Y153-L157 WeakPolarHBondContact O-CG 3.29Å; Y153-L157 PolarHBondContact O-N 3.4Å; L157-G161 PolarHBondContact O-N 3.39Å; L157-G161 VanDerWaalsContact O-N 3.12Å
158G39.7Very low40.7Very low44 Ų4485.3 Ų85.345%0.45456%0.563SS.*Hα-helixtrans-70.9-34.7172.400000113.3G154 A156 G161 S162G154-G158 PolarHBondContact O-N 3.32Å; A156-G158 PolarHBondContact O-N 2.9Å; G158-G161 PolarHBondContact O-N 3.35Å; G158-S162 PolarHBondContact O-N 2.87Å; G158-S162 VanDerWaalsContact O-N 3.07Å; G158-S162 PolarHBondContact O-OG 3.26Å
159G34.4Very low40.5Very low39 Ų3984.9 Ų84.940%0.40257%0.572SS.*Hα-helixtrans-70.4-37.917500000113.1S155 A156 G161 S162 G163S155-G159 PolarHBondContact O-N 3.08Å; A156-G159 PolarHBondContact O-N 2.76Å; G159-G161 VanDerWaalsContact C-N 3.31Å; G159-S162 WeakPolarHBondContact CA-OG 3.48Å; G159-S162 PolarHBondContact O-N 3.49Å; G159-S162 PolarHBondContact O-OG 3.46Å; G159-G163 PolarHBondContact O-N 3.38Å; G159-G163 VanDerWaalsContact O-N 3.1Å
160Y41.1Very low40.3Very low178 Ų17887 Ų8770%0.69858%0.584SS**Hα-helixtrans-70.2-28.3171.6-71-64.3000112.3A156A156-Y160 HydrophobicContact CB-CE2 4.37Å; A156-Y160 WeakPolarHBondContact O-CD2 2.91Å; A156-Y160 PolarHBondContact O-N 3.1Å
161G37.6Very low39.9Very low47 Ų4789.5 Ų89.549%0.48559%0.586SS.*Hα-helixtrans-69.7-35.617200000113.7L157 G158 G159L157-G161 PolarHBondContact O-N 3.39Å; L157-G161 VanDerWaalsContact O-N 3.12Å; G158-G161 PolarHBondContact O-N 3.35Å; G159-G161 VanDerWaalsContact C-N 3.31Å
162S39Very low39.8Very low83 Ų8395.5 Ų95.558%0.5861%0.609SS**Hα-helixtrans-85.4-21.2-178.236.30000113.7G158 G159G158-S162 PolarHBondContact O-N 2.87Å; G158-S162 VanDerWaalsContact O-N 3.07Å; G158-S162 PolarHBondContact O-OG 3.26Å; G159-S162 WeakPolarHBondContact CA-OG 3.48Å; G159-S162 PolarHBondContact O-N 3.49Å; G159-S162 PolarHBondContact O-OG 3.46Å
163G40.7Very low40Very low43 Ų4398.7 Ų98.744%0.44363%0.625SS.*Hα-helixtrans-72.9-25.3170.900000114.6G159G159-G163 PolarHBondContact O-N 3.38Å; G159-G163 VanDerWaalsContact O-N 3.1Å
164L46.2Very low39.8Very low138 Ų13895.6 Ų95.672%0.72362%0.62SS**Hα-helixtrans-87.8-17.9-178.5-88.4156.7000114G166L164-G166 VanDerWaalsContact C-N 3.28Å; L164-G166 PolarHBondContact O-N 3.14Å
165S43.1Very low40.2Very low111 Ų11198.7 Ų98.778%0.77663%0.632SS**SBendtrans-77.7-13.6173-165.60000113.2
166G34.8Very low40.3Very low63 Ų63104 Ų10465%0.64964%0.64SS**SBendtrans-92.6-21.6179.400000115.2L164L164-G166 VanDerWaalsContact C-N 3.28Å; L164-G166 PolarHBondContact O-N 3.14Å
167Y39.1Very low40Very low166 Ų166105 Ų10565%0.65165%0.648SS**SBendtrans-111.66.9-175.4-77.2-80.3000114.6G169 Y171Y167-G169 PolarHBondContact O-N 3.18Å; Y167-G169 VanDerWaalsContact O-N 3.13Å; Y167-Y171 HydrophobicContact CD1-CE2 4.44Å
168G36.7Very low39.7Very low74 Ų74104.5 Ų104.576%0.76365%0.646SS**THydrogen-bonded Turntrans-68-3173.100000115
169G38.2Very low40Very low78 Ų78106.5 Ų106.580%0.80465%0.652SS**THydrogen-bonded Turntrans-94.9-1.2-172.500000117.4Y167Y167-G169 PolarHBondContact O-N 3.18Å; Y167-G169 VanDerWaalsContact O-N 3.13Å
170S39.6Very low40.2Very low93 Ų93114.2 Ų114.265%0.6567%0.671SS**SBendtrans-143.37.1-173.3-131.60000118.5
171Y37.9Very low39.8Very low182 Ų182114.8 Ų114.871%0.71467%0.673SS**  trans-11938.3177.2-48.2-70000112.7Y167 S173Y167-Y171 HydrophobicContact CD1-CE2 4.44Å; Y171-S173 PolarHBondContact O-N 2.91Å; Y171-S173 VanDerWaalsContact O-N 3.15Å
172N41.2Very low40Very low161 Ų161118.4 Ų118.486%0.86168%0.681SS**  trans-83.161154.5-166.65.5000108.9
173S40.5Very low40.3Very low106 Ų106117.2 Ų117.274%0.74167%0.673SS**SBendtrans-151.377.7173.6-71.10000106.1Y171Y171-S173 PolarHBondContact O-N 2.91Å; Y171-S173 VanDerWaalsContact O-N 3.15Å
174N36Very low40.3Very low96 Ų96126 Ų12651%0.51369%0.693SS.*  trans140.992.9144.6-154.910.8000111.4Y176 A177N174-Y176 PolarHBondContact O-N 3.06Å; N174-Y176 WeakPolarHBondContact OD1-CD2 3.5Å; N174-A177 PolarHBondContact O-N 3.02Å
175P48.1Very low40.1Very low110 Ų110127.2 Ų127.271%0.71470%0.699SS**THydrogen-bonded Turntrans-63.6-7.5-177.826.1-34.4000114.3
176Y42.5Very low39.9Very low200 Ų200125.7 Ų125.778%0.78470%0.7SS**THydrogen-bonded Turntrans-79.8-18.1176.9-65.4-74.1000114.2N174N174-Y176 PolarHBondContact O-N 3.06Å; N174-Y176 WeakPolarHBondContact OD1-CD2 3.5Å
177A37.9Very low40Very low64 Ų64127.8 Ų127.853%0.52971%0.712SS.*SBendtrans-81.2-29.3-176.400000113.8N174 S179N174-A177 PolarHBondContact O-N 3.02Å; A177-S179 PolarHBondContact O-N 3.29Å
178L39.1Very low39.7Very low119 Ų119123.6 Ų123.662%0.62372%0.719SS**THydrogen-bonded Turntrans-79.8-17.4-173.6-108.579.5000114.6Y180 Y181L178-Y180 PolarHBondContact O-N 2.91Å; L178-Y181 PolarHBondContact O-N 2.96Å
179S45.8Very low39.7Very low85 Ų85125 Ų12559%0.59472%0.723SS**THydrogen-bonded Turntrans-70.3-20.7-175.3-154.40000113.4A177A177-S179 PolarHBondContact O-N 3.29Å
180Y38.8Very low39.7Very low202 Ų202124.3 Ų124.379%0.79272%0.716SS**THydrogen-bonded Turntrans-80.1-35.1177.3-110.7-90.4000113.2L178 S183L178-Y180 PolarHBondContact O-N 2.91Å; Y180-S183 PolarHBondContact O-OG 3.33Å
181Y34.1Very low39.6Very low189 Ų189127.3 Ų127.374%0.74173%0.731SS**G310 helixtrans-85.6-24.7-172.7-86.3-81.1000114.6L178 S183L178-Y181 PolarHBondContact O-N 2.96Å; Y181-S183 PolarHBondContact O-N 3.3Å; Y181-S183 VanDerWaalsContact O-N 3.09Å
182N41.7Very low39.5Very low124 Ų124121.6 Ų121.666%0.66373%0.727SS**G310 helixtrans-71.8-3.2-178.8-84.1-12000114.9
183S43.5Very low39.1Very low57 Ų57124.1 Ų124.140%0.39973%0.726SS.*G310 helixtrans-82.4-8.6179.258.60000115.1Y180 Y181Y180-S183 PolarHBondContact O-OG 3.33Å; Y181-S183 PolarHBondContact O-N 3.3Å; Y181-S183 VanDerWaalsContact O-N 3.09Å
184R40.8Very low39.2Very low228 Ų228124.4 Ų124.486%0.8673%0.725SS**SBendtrans-117-2.1-174.7-64-157-170.5-110.86116.6
185L42.5Very low39.4Very low164 Ų164130.2 Ų130.286%0.85974%0.742SS**SBendtrans-130.337.3-171.7-81.1162.2000113.8
186G39Very low38.9Very low78 Ų78135 Ų13580%0.80475%0.747SS**  trans-120.213.2-176.200000116.5
187A36.9Very low38.7Very low108 Ų108130.8 Ų130.889%0.89374%0.738SS**SBendtrans-118.786.3176.900000109.9
188G33.9Very low38.8Very low77 Ų77132.3 Ų132.379%0.79474%0.741SS**SBendtrans126.291.216700000113.9
189A35.9Very low39Very low104 Ų104134.3 Ų134.386%0.8674%0.74SS**SBendtrans147.4112139.900000110.3
190G38Very low38.5Very low63 Ų63139.3 Ų139.365%0.64975%0.752SS**SBendtrans82.792.315300000116.3G192G190-G192 PolarHBondContact O-N 3.05Å; G190-G192 VanDerWaalsContact O-N 3.11Å
191T37.5Very low38.2Very low157 Ų157133.8 Ų133.896%0.96376%0.756SS**  trans40.765.2135.858.60000115.9
192G36.9Very low38.1Very low62 Ų62128.3 Ų128.364%0.63975%0.75SS**  trans-144.7115.3172.700000107.9G190G190-G192 PolarHBondContact O-N 3.05Å; G190-G192 VanDerWaalsContact O-N 3.11Å
193Y32.8Very low37.7Very low214 Ų214125.5 Ų125.584%0.83975%0.75SS**  trans-28.4125.8177.9-76.1-92.3000112.9Y195Y193-Y195 VanDerWaalsContact C-N 3.34Å; Y193-Y195 PolarHBondContact O-N 3.11Å
194P42.3Very low37.4Very low111 Ų111126 Ų12672%0.72176%0.764SS**  trans-61.8100.8178.625.2-31.7000108Y196P194-Y196 VanDerWaalsContact C-N 3.29Å; P194-Y196 PolarHBondContact O-N 3.2Å
195Y39.7Very low37Very low218 Ų218125.1 Ų125.186%0.85576%0.762SS**  trans-62.2102.3163.9-98.5-94.5000106.1Y193 N197Y193-Y195 VanDerWaalsContact C-N 3.34Å; Y193-Y195 PolarHBondContact O-N 3.11Å; Y195-N197 PolarHBondContact O-N 3.28Å
196Y36.6Very low37Very low210 Ų210122.5 Ų122.582%0.82476%0.755SS**  trans-31.9100174.5-64.5-90.4000111.6P194 T198P194-Y196 VanDerWaalsContact C-N 3.29Å; P194-Y196 PolarHBondContact O-N 3.2Å; Y196-T198 VanDerWaalsContact C-N 3.29Å; Y196-T198 PolarHBondContact O-N 3.23Å; Y196-T198 VanDerWaalsContact O-N 3.08Å
197N38.9Very low37Very low113 Ų113123.7 Ų123.760%0.60475%0.751SS**  trans-81.281.9170.6-172.3-14.5000107.5Y195 R199Y195-N197 PolarHBondContact O-N 3.28Å; N197-R199 PolarHBondContact O-N 3.5Å; N197-R199 WeakPolarHBondContact OD1-CB 3.46Å; N197-R199 PolarHBondContact OD1-N 3.13Å
198T39.5Very low37.1Very low96 Ų96122.8 Ų122.859%0.58974%0.738SS**THydrogen-bonded Turntrans-7242.1175.1410000112.6Y196Y196-T198 VanDerWaalsContact C-N 3.29Å; Y196-T198 PolarHBondContact O-N 3.23Å; Y196-T198 VanDerWaalsContact O-N 3.08Å
199R43.7Very low37.3Very low160 Ų160129.1 Ų129.160%0.60474%0.74SS**THydrogen-bonded Turntrans-77.8-10.4164.7-109.5-176.6-100.1-139.9-10.4113.6N197N197-R199 PolarHBondContact O-N 3.5Å; N197-R199 WeakPolarHBondContact OD1-CB 3.46Å; N197-R199 PolarHBondContact OD1-N 3.13Å
200F35.9Very low37.3Very low191 Ų191134.3 Ų134.384%0.83874%0.739SS**SBendtrans-105.884.8164.2-63.7-69.1000109.1A202F200-A202 PolarHBondContact O-N 2.87Å
201G33Very low37.3Very low85 Ų85137.2 Ų137.288%0.87674%0.744SS**SBendtrans425.9138.600000123
202A32.3Very low37.3Very low75 Ų75133.6 Ų133.662%0.6273%0.725SS**  trans-105.4107.4178.600000108.3F200 G204F200-A202 PolarHBondContact O-N 2.87Å; A202-G204 PolarHBondContact O-N 3.05Å
203G33.2Very low37.3Very low65 Ų65138.2 Ų138.267%0.6774%0.735SS**  trans-56.698.5-179.100000112.4Y205G203-Y205 WeakPolarHBondContact O-CD2 3.41Å; G203-Y205 PolarHBondContact O-N 2.89Å
204G35.8Very low37.4Very low66 Ų66137.9 Ų137.968%0.6873%0.734SS**  trans-75.595.1162.600000108.6A202A202-G204 PolarHBondContact O-N 3.05Å
205Y33.5Very low36.9Very low210 Ų210135.8 Ų135.882%0.82473%0.732SS**  trans-50.5139.3173.9-66.9-94.1000110.9G203 S207G203-Y205 WeakPolarHBondContact O-CD2 3.41Å; G203-Y205 PolarHBondContact O-N 2.89Å; Y205-S207 PolarHBondContact O-N 2.84Å
206P40.9Very low36.8Very low110 Ų110132 Ų13271%0.71473%0.727SS**  trans-60.7115.8179.123.3-30.7000109.6S208P206-S208 PolarHBondContact O-N 3.21Å
207S39Very low36.8Very low103 Ų103126.8 Ų126.872%0.7272%0.721SS**  trans-73.974.5178.971.90000110.5Y205Y205-S207 PolarHBondContact O-N 2.84Å
208S40.7Very low37Very low89 Ų89126.9 Ų126.962%0.62273%0.725SS**  trans-96.812170.644.20000113.3P206P206-S208 PolarHBondContact O-N 3.21Å
209Y36.5Very low36.9Very low209 Ų209127.7 Ų127.782%0.8273%0.73SS**  trans-122.57.4-179.5-67.5-71.7000116.2T211Y209-T211 PolarHBondContact O-N 2.98Å
210Y36.2Very low36.4Very low214 Ų214124 Ų12484%0.83974%0.741SS**  trans-85.677.2164.5-72.8-74000109.1S212Y210-S212 PolarHBondContact O-N 2.7Å
211T37.9Very low36.2Very low123 Ų123117.7 Ų117.776%0.75573%0.73SS**  trans-48.7125.1156.9-113.20000107.6Y209 N213Y209-T211 PolarHBondContact O-N 2.98Å; T211-N213 PolarHBondContact O-N 3.15Å
212S37.9Very low36.2Very low82 Ų82116.9 Ų116.957%0.57372%0.722SS**  trans-59.495.3-178.7-47.50000111.3Y210 Y214Y210-S212 PolarHBondContact O-N 2.7Å; S212-Y214 VanDerWaalsContact CB-CD2 3.48Å; S212-Y214 VanDerWaalsContact CB-CE2 3.43Å; S212-Y214 PolarHBondContact O-N 2.84Å; S212-Y214 VanDerWaalsContact O-N 3.1Å
213N36.5Very low36.4Very low159 Ų159122.2 Ų122.285%0.8574%0.739SS**  trans-75.288.6148.9-90.1-28000106.5T211 G215T211-N213 PolarHBondContact O-N 3.15Å; N213-G215 PolarHBondContact O-N 3.41Å
214Y35.9Very low36.6Very low207 Ų207122.9 Ų122.981%0.81275%0.746SS**  trans-62.668.3159.2-77.4-84.2000109.1S212 N216S212-Y214 VanDerWaalsContact CB-CD2 3.48Å; S212-Y214 VanDerWaalsContact CB-CE2 3.43Å; S212-Y214 PolarHBondContact O-N 2.84Å; S212-Y214 VanDerWaalsContact O-N 3.1Å; Y214-N216 PolarHBondContact O-N 2.9Å
215G32.2Very low36.8Very low66 Ų66124.3 Ų124.368%0.6875%0.751SS**  trans-89.264.2161.800000107.9N213 S217N213-G215 PolarHBondContact O-N 3.41Å; G215-S217 PolarHBondContact O-N 2.92Å
216N37.3Very low36.9Very low140 Ų140122.5 Ų122.575%0.74976%0.755SS**  trans-69.271.2172.3-161.415.2000108Y214 V218Y214-N216 PolarHBondContact O-N 2.9Å; N216-V218 VanDerWaalsContact C-N 3.32Å; N216-V218 PolarHBondContact O-N 2.8Å
217S36.9Very low36.6Very low99 Ų99121.5 Ų121.569%0.69277%0.765SS**  trans-8787.3168-159.50000106.6G215 V219G215-S217 PolarHBondContact O-N 2.92Å; S217-V219 PolarHBondContact O-N 2.92Å; S217-V219 WeakPolarHBondContact OG-CG2 3.34Å
218V41.9Very low36.3Very low116 Ų116120 Ų12070%0.70377%0.765SS**  trans-62.184.7160.81800000106.6N216N216-V218 VanDerWaalsContact C-N 3.32Å; N216-V218 PolarHBondContact O-N 2.8Å
219V37.9Very low36.4Very low113 Ų113121.8 Ų121.869%0.68577%0.772SS**  trans-127.256.5162.5-169.60000107.2S217S217-V219 PolarHBondContact O-N 2.92Å; S217-V219 WeakPolarHBondContact OG-CG2 3.34Å
220G32.9Very low37.1Very low82 Ų82116.6 Ų116.685%0.84576%0.764SS**  trans-82.492.8141.500000106.9
221G32.5Very low37.6Very low58 Ų58112.6 Ų112.660%0.59876%0.764SS**  trans-166.499.117900000108.6
222G32.7Very low37.9Very low69 Ų69114.9 Ų114.971%0.71177%0.77SS**  trans-66.5170.9-169.800000115.7
223L37.1Very low37.8Very low187 Ų187113.9 Ų113.998%0.97977%0.773SS**SBendtrans63106.7159-72.9109.2000118.3
224G37.3Very low38Very low78 Ų78112.6 Ų112.680%0.80478%0.777SS**  103.211.1119.600000119.8L226G224-L226 PolarHBondContact O-N 2.92Å
225A39.5Very low38.1Very low97 Ų97105.7 Ų105.780%0.80277%0.768SS**  trans-102.581.7176.900000112.6
226L35.1Very low38.5Very low171 Ų171112.1 Ų112.190%0.89577%0.773SS**  trans41.4106.7140.5-57.9169.9000119G224G224-L226 PolarHBondContact O-N 2.92Å
227G34.1Very low38.7Very low90 Ų90113.2 Ų113.293%0.92878%0.779SS**  trans64.791.6132.500000118.1
228G34.5Very low38.9Very low71 Ų71117.1 Ų117.173%0.73278%0.78SS**  trans-163.18916300000110.5
229V41.7Very low38.7Very low126 Ų126114.6 Ų114.676%0.76478%0.777SS**  trans-54.1127.4164.2175.20000106.9
230P51.8Low39.1Very low101 Ų101115.6 Ų115.666%0.65679%0.789SS**  trans-56.6134.1-175.921.1-32000109.6I232P230-I232 PolarHBondContact O-N 3.1Å
231P45.2Very low39.6Very low129 Ų129115 Ų11584%0.83878%0.783SS**  trans-58.1115.4-176.220.6-30.4000109.9G233P231-G233 PolarHBondContact O-N 3.32Å
232I44.4Very low40Very low172 Ų172119.4 Ų119.488%0.88279%0.791SS**  trans-7584.8171.4-37.9172.7000105.3P230P230-I232 PolarHBondContact O-N 3.1Å
233G36Very low40.4Very low61 Ų61122 Ų12263%0.62980%0.799SS**  trans-15993.3-170.700000112.7P231P231-G233 PolarHBondContact O-N 3.32Å
234S41.3Very low40.6Very low132 Ų132116 Ų11692%0.92378%0.781SS**SBendtrans38.5110.1155.8-78.60000118.9
235G37.8Very low41.1Very low61 Ų61117.1 Ų117.163%0.62977%0.773SS**  trans114.783.5152.400000112.4N237G235-N237 VanDerWaalsContact C-N 3.31Å; G235-N237 PolarHBondContact O-N 3.37Å
236Y41.5Very low41.1Very low201 Ų201119.4 Ų119.479%0.78878%0.777SS**  trans-59.6103.3154.1-67-77.9000107.1Y238Y236-Y238 VanDerWaalsContact CB-CE2 3.43Å; Y236-Y238 HydrophobicContact CG-CE2 4.28Å; Y236-Y238 WeakPolarHBondContact O-CD2 3.43Å; Y236-Y238 PolarHBondContact O-N 3.25Å
237N41.4Very low41.9Very low163 Ų163124.2 Ų124.287%0.87279%0.785SS**  trans-67.383.7166.2-76.9-52.2000107.3G235 G239G235-N237 VanDerWaalsContact C-N 3.31Å; G235-N237 PolarHBondContact O-N 3.37Å; N237-G239 PolarHBondContact O-N 3.03Å
238Y39.4Very low42.3Very low181 Ų181125.9 Ų125.971%0.7178%0.778SS**  trans-64.9120.8165.2-71.3-79000107.2Y236Y236-Y238 VanDerWaalsContact CB-CE2 3.43Å; Y236-Y238 HydrophobicContact CG-CE2 4.28Å; Y236-Y238 WeakPolarHBondContact O-CD2 3.43Å; Y236-Y238 PolarHBondContact O-N 3.25Å
239G38.6Very low42.7Very low63 Ų63128.8 Ų128.865%0.64978%0.78SS**  trans-48.1154.9178.700000112.3N237 G241N237-G239 PolarHBondContact O-N 3.03Å; G239-G241 PolarHBondContact O-N 3.16Å
240S45.3Very low42.8Very low134 Ų134128.9 Ų128.994%0.93778%0.781SS**THydrogen-bonded Turntrans-37.1105-175.658.10000113
241G43.5Very low42.2Very low70 Ų70130.6 Ų130.672%0.72279%0.788SS**THydrogen-bonded Turntrans169.8-37.5173.400000115.7G239G239-G241 PolarHBondContact O-N 3.16Å
242I41.7Very low42.1Very low150 Ų150130.7 Ų130.777%0.76979%0.785SS**  trans-143.783.9-177.7-50.9179000109.3
243S41.9Very low41.9Very low125 Ų125127.9 Ų127.987%0.87478%0.779SS**  trans-88.398.1158.8-175.90000106.8
244G40.4Very low42.3Very low59 Ų59132.7 Ų132.761%0.60879%0.789SS**  trans-119.7100.1172.300000108.7V246G244-V246 PolarHBondContact O-N 2.94Å
245T47.7Very low42.4Very low103 Ų103132.8 Ų132.863%0.63278%0.779SS**  trans-71.5112.5167.248.40000108.2Y247T245-Y247 PolarHBondContact O-N 3.48Å
246V39.6Very low42.8Very low144 Ų144138.8 Ų138.887%0.87379%0.792SS**  trans-73.3111.1165.8-177.50000106.5G244G244-V246 PolarHBondContact O-N 2.94Å
247Y52.6Low42.9Very low272 Ų272133.1 Ų133.1100%1.06779%0.792SS**  trans-92.40163.3-74.8-79.4000109.1T245T245-Y247 PolarHBondContact O-N 3.48Å

Retrieved 247 of 247 residues in 80.9 ms (Link to these results)