A0A087XZ51_POEFO Loading...

Apelin receptor 2

AlphaFold DB , UniProt , Accession A0A087XZ51, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 349 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
1M38.6Very low37.8Very low241 Ų241137.5 Ų137.5100%1.18781%0.808SS**  0107.70-146.3137.6171.100104.5
2S32.8Very low38.6Very low112 Ų112131.7 Ų131.778%0.78378%0.777SS**  trans-86.3116.1-163.4-38.60000109.4F4S2-F4 PolarHBondContact O-N 3.19Å
3D32.5Very low39.7Very low161 Ų161125.8 Ų125.886%0.86175%0.753SS**  trans-76.3114.2172.7-71.8-37.5000109.4
4F33.7Very low40.8Very low190 Ų190122.8 Ų122.883%0.83374%0.738SS**  trans-78.9124.6166.9-94.9-92.6000108.6S2 T6S2-F4 PolarHBondContact O-N 3.19Å; F4-T6 PolarHBondContact O-N 3.05Å
5P38.3Very low41.8Very low118 Ų118124.5 Ų124.577%0.76674%0.741SS**  trans-75.2110.3164.828.8-26.6000107.8S7P5-S7 VanDerWaalsContact C-N 3.32Å; P5-S7 PolarHBondContact O-N 3.33Å
6T35.6Very low43.2Very low131 Ų131126.9 Ų126.980%0.80474%0.742SS**  trans-6592.9164.242.30000108.3F4 S8F4-T6 PolarHBondContact O-N 3.05Å; T6-S8 PolarHBondContact O-N 3.49Å
7S34.6Very low45.2Very low106 Ų106120.4 Ų120.474%0.74171%0.705SS**  trans-75.381.4165.474.70000108.5P5 T9P5-S7 VanDerWaalsContact C-N 3.32Å; P5-S7 PolarHBondContact O-N 3.33Å; S7-T9 PolarHBondContact O-N 3.49Å; S7-T9 VanDerWaalsContact O-N 3.08Å
8S37.4Very low46.9Very low104 Ų104119.8 Ų119.873%0.72770%0.698SS**  trans-7390.2156.954.50000106.6T6 P10T6-S8 PolarHBondContact O-N 3.49Å; S8-P10 WeakPolarHBondContact O-CD 3.43Å
9T38.4Very low48.4Very low121 Ų121118.7 Ų118.774%0.74268%0.682SS**PPolyproline II helixtrans-52.8119.4160.824.30000107.1S7 T11S7-T9 PolarHBondContact O-N 3.49Å; S7-T9 VanDerWaalsContact O-N 3.08Å; T9-T11 PolarHBondContact O-N 2.92Å
10P46.3Very low49.2Very low113 Ų113114.5 Ų114.573%0.73467%0.666SS**PPolyproline II helixtrans-60.6130173.124-29.2000107.4S8 P12S8-P10 WeakPolarHBondContact O-CD 3.43Å; P10-P12 WeakPolarHBondContact O-CD 3.33Å
11T47.6Very low49.7Very low116 Ų116116.2 Ų116.271%0.71267%0.673SS**PPolyproline II helixtrans-51.8121.716527.10000107.6T9 A13T9-T11 PolarHBondContact O-N 2.92Å; T11-A13 PolarHBondContact O-N 3.31Å
12P47.4Very low50.7Low67 Ų67110 Ų11044%0.43564%0.636SS.*PPolyproline II helixtrans-60.5138.5179.223-30.5000109.3P10P10-P12 WeakPolarHBondContact O-CD 3.33Å
13A52.9Low52.2Low56 Ų56112.3 Ų112.346%0.46363%0.629SS.*PPolyproline II helixtrans-58.8152166.100000109.3T11 D15 H16T11-A13 PolarHBondContact O-N 3.31Å; A13-D15 PolarHBondContact O-N 2.92Å; A13-H16 PolarHBondContact O-N 3.31Å
14P55.5Low53.9Low83 Ų83105.7 Ų105.754%0.53959%0.594SS.*G310 helixtrans-52.1-26.9-176.915.1-28.2000114.3H16P14-H16 PolarHBondContact O-N 2.89Å; P14-H16 VanDerWaalsContact O-N 3.07Å
15D55.7Low55.8Low148 Ų14898.4 Ų98.479%0.79157%0.567SS**G310 helixtrans-722.8-176.3-56.4-23.4000115.9A13A13-D15 PolarHBondContact O-N 2.92Å
16H64.1Low57.9Low164 Ų16496.3 Ų96.376%0.75955%0.546SS*.G310 helixtrans-125.113.5-175.3-87.6-40.3000115.6A13 P14A13-H16 PolarHBondContact O-N 3.31Å; P14-H16 PolarHBondContact O-N 2.89Å; P14-H16 VanDerWaalsContact O-N 3.07Å
17C76.7Confident60.5Low15 Ų1594.4 Ų94.410%0.10154%0.538CS..  trans-81.1129.7174.1-56.60000110.8Y19 Y300 C302C17-Y19 HydrophobicContact CB-CD2 4.43Å; C17-Y19 HydrophobicContact CB-CE1 4.44Å; C17-Y19 HydrophobicContact CB-CE2 3.67Å; C17-Y19 WeakPolarHBondContact O-CD2 3.4Å; C17-Y19 WeakPolarHBondContact O-CE2 3.49Å; C17-Y300 PolarHBondContact SG-OH 3.45Å; C17-C302 VanDerWaalsContact CA-SG 3.6Å; C17-C302 HydrophobicContact CB-CB 3.74Å; C17-C302 WeakPolarHBondContact CB-SG 3.31Å; C17-C302 VanDerWaalsContact SG-CA 3.51Å; C17-C302 WeakPolarHBondContact SG-CB 3.27Å; C17-C302 CovalentContact SG-SG 2.05Å; C17-C302 PolarHBondContact SG-SG 3.31Å
18D76.9Confident63.2Low110 Ų11093.8 Ų93.859%0.58853%0.525SS*.  trans-84.8113175.9-176.30.1000110.3G20 Q306D18-G20 PolarHBondContact OD1-N 3.28Å; D18-Q306 PolarHBondContact O-NE2 2.63Å
19Y75.3Confident65.9Low99 Ų9988.9 Ų88.939%0.38849%0.491SS..  trans-97.21.6-179.5-62.5-82.5000113.3C17 D21 D305 Q306 L309C17-Y19 HydrophobicContact CB-CD2 4.43Å; C17-Y19 HydrophobicContact CB-CE1 4.44Å; C17-Y19 HydrophobicContact CB-CE2 3.67Å; C17-Y19 WeakPolarHBondContact O-CD2 3.4Å; C17-Y19 WeakPolarHBondContact O-CE2 3.49Å; Y19-D21 VanDerWaalsContact C-N 3.26Å; Y19-D21 PolarHBondContact O-N 3.48Å; Y19-D305 VanDerWaalsContact CE1-OD2 3.3Å; Y19-D305 WeakPolarHBondContact CE1-OD2 3.39Å; Y19-D305 PolarHBondContact OH-OD2 2.92Å; Y19-Q306 HydrophobicContact CD1-CG 3.85Å; Y19-Q306 HydrophobicContact CE1-CG 3.86Å; Y19-L309 HydrophobicContact CD1-CD1 4.14Å; Y19-L309 HydrophobicContact CE1-CD1 3.68Å
20G63.5Low68.7Low35 Ų3583.7 Ų83.736%0.36146%0.459SS..THydrogen-bonded Turntrans-68.1-17.5-173.100000115.5D18 W22 Y23D18-G20 PolarHBondContact OD1-N 3.28Å; G20-W22 PolarHBondContact O-N 3.04Å; G20-Y23 VanDerWaalsContact O-CE2 3.22Å; G20-Y23 WeakPolarHBondContact O-CE2 3.43Å
21D59.3Low71.1Confident151 Ų15182 Ų8281%0.80745%0.45SS*.THydrogen-bonded Turntrans-81.2-11-175.5-77.2-25.1000114.3Y19Y19-D21 VanDerWaalsContact C-N 3.26Å; Y19-D21 PolarHBondContact O-N 3.48Å
22W61.1Low73.4Confident110 Ų11079 Ų7942%0.41743%0.429SS..  trans-140.8106.9-170.5-150.896000113.7G20 P24 A310 P313 Y314G20-W22 PolarHBondContact O-N 3.04Å; W22-P24 HydrophobicContact CZ3-CB 4.08Å; W22-A310 HydrophobicContact CD2-CB 3.41Å; W22-A310 VanDerWaalsContact CD2-CB 3.41Å; W22-A310 HydrophobicContact CE3-CB 3.56Å; W22-A310 HydrophobicContact CG-CB 4.06Å; W22-A310 VanDerWaalsContact CH2-C 3.41Å; W22-A310 HydrophobicContact CH2-CB 3.67Å; W22-A310 WeakPolarHBondContact CH2-O 3.47Å; W22-A310 HydrophobicContact CZ2-CB 3.47Å; W22-A310 VanDerWaalsContact CZ2-CB 3.47Å; W22-A310 WeakPolarHBondContact CZ2-O 3.2Å; W22-A310 HydrophobicContact CZ3-CB 3.74Å; W22-A310 WeakPolarHBondContact CZ3-O 3.46Å; W22-P313 HydrophobicContact CH2-CG 4.31Å; W22-P313 HydrophobicContact CZ3-CG 4.37Å; W22-Y314 AromaticContact CH2-CD2 3.8Å; W22-Y314 HydrophobicContact CH2-CD2 3.8Å; W22-Y314 AromaticContact CH2-CE2 3.26Å; W22-Y314 HydrophobicContact CH2-CE2 3.26Å; W22-Y314 HydrophobicContact CZ2-CD2 4.05Å; W22-Y314 AromaticContact CZ2-CE2 3.42Å; W22-Y314 HydrophobicContact CZ2-CE2 3.42Å; W22-Y314 VanDerWaalsContact CZ2-CE2 3.42Å
23Y64Low75.8Confident161 Ų16176.2 Ų76.263%0.63141%0.41SS*.  trans-110.3134.5171.7-64.6-83.4000110.7G20G20-Y23 VanDerWaalsContact O-CE2 3.22Å; G20-Y23 WeakPolarHBondContact O-CE2 3.43Å
24P66.8Low77.9Confident21 Ų2176.8 Ų76.814%0.13641%0.408CS..  trans-59.2143.5172.220.8-27.1000110.3W22 F26 Y92 P313W22-P24 HydrophobicContact CZ3-CB 4.08Å; P24-F26 HydrophobicContact CG-CE1 3.86Å; P24-F26 HydrophobicContact CG-CZ 3.94Å; P24-F26 WeakPolarHBondContact O-CD2 3.15Å; P24-F26 PolarHBondContact O-N 3.31Å; P24-Y92 HydrophobicContact CG-CE2 3.8Å; P24-P313 HydrophobicContact CB-CB 4.39Å; P24-P313 HydrophobicContact CB-CG 4.01Å
25S74.5Confident79.9Confident37 Ų3778 Ų7826%0.25941%0.409SS..  trans-68.995179-70.10000110.7S27 I28 I29 Y314S25-S27 PolarHBondContact O-N 3.3Å; S25-I28 PolarHBondContact O-N 3.22Å; S25-I29 PolarHBondContact O-N 3.12Å; S25-Y314 PolarHBondContact OG-OH 3.08Å; S25-Y314 VanDerWaalsContact OG-OH 3.1Å
26F83.1Confident81.9Confident75 Ų7571 Ų7133%0.32937%0.372SS..THydrogen-bonded Turntrans-64.1-2.4178.8-60.8-59.9000114.4P24 P30 T88 Y92P24-F26 HydrophobicContact CG-CE1 3.86Å; P24-F26 HydrophobicContact CG-CZ 3.94Å; P24-F26 WeakPolarHBondContact O-CD2 3.15Å; P24-F26 PolarHBondContact O-N 3.31Å; F26-P30 WeakPolarHBondContact O-CG 3.34Å; F26-T88 VanDerWaalsContact CD1-O 3.23Å; F26-T88 WeakPolarHBondContact CD1-O 3.41Å; F26-Y92 HydrophobicContact CE1-CD2 4.13Å; F26-Y92 AromaticContact CE1-CE2 3.83Å; F26-Y92 HydrophobicContact CE1-CE2 3.83Å
27S88.4Confident83.5Confident90 Ų9066.1 Ų66.163%0.62935%0.349SS*.THydrogen-bonded Turntrans-114.4-37.9173.9-62.20000113.7S25 S31S25-S27 PolarHBondContact O-N 3.3Å; S27-S31 WeakPolarHBondContact O-CB 3.31Å; S27-S31 PolarHBondContact O-N 3.02Å; S27-S31 PolarHBondContact O-OG 2.98Å
28I92.4Very high84.5Confident94 Ų9470.4 Ų70.448%0.48237%0.37SS..Hα-helixtrans-69.7-51.2-174.6-63.4176.9000110.8S25 S31 I32S25-I28 PolarHBondContact O-N 3.22Å; I28-S31 WeakPolarHBondContact O-CB 3.24Å; I28-S31 PolarHBondContact O-N 2.78Å; I28-I32 HydrophobicContact CG2-CD1 3.79Å; I28-I32 HydrophobicContact CG2-CG1 4.49Å; I28-I32 WeakPolarHBondContact O-CG1 3.41Å; I28-I32 PolarHBondContact O-N 2.92Å
29I94.6Very high85.4Confident1 Ų167.8 Ų67.81%0.00536%0.358CS..Hα-helixtrans-64.2-47.2-176.5-65.4163.6000111.5S25 S31 I32 Y33 T88 P313 Y314 C317S25-I29 PolarHBondContact O-N 3.12Å; I29-S31 VanDerWaalsContact C-N 3.3Å; I29-S31 PolarHBondContact O-N 2.89Å; I29-I32 PolarHBondContact O-N 3.19Å; I29-I32 VanDerWaalsContact O-N 3.14Å; I29-Y33 HydrophobicContact CG2-CD1 4.47Å; I29-Y33 HydrophobicContact CG2-CD2 4.18Å; I29-Y33 HydrophobicContact CG2-CE1 4Å; I29-Y33 HydrophobicContact CG2-CE2 3.66Å; I29-Y33 PolarHBondContact O-N 3.5Å; I29-T88 HydrophobicContact CB-CG2 4.25Å; I29-T88 HydrophobicContact CG2-CG2 4.14Å; I29-P313 HydrophobicContact CD1-CB 3.74Å; I29-Y314 HydrophobicContact CD1-CD1 4.12Å; I29-Y314 HydrophobicContact CD1-CE1 3.99Å; I29-Y314 HydrophobicContact CG1-CD1 4.23Å; I29-Y314 HydrophobicContact CG1-CE1 4.09Å; I29-C317 HydrophobicContact CG2-CB 4.21Å
30P96.3Very high86.5Confident12 Ų1263.1 Ų63.18%0.07834%0.339CS..Hα-helixtrans-57.6-41174.4-2938.3000113.4F26 I32 Y33 V34 A85 T88 A89F26-P30 WeakPolarHBondContact O-CG 3.34Å; P30-I32 VanDerWaalsContact C-N 3.32Å; P30-I32 PolarHBondContact O-N 2.8Å; P30-Y33 PolarHBondContact O-N 3.37Å; P30-V34 WeakPolarHBondContact O-CG2 3.17Å; P30-V34 PolarHBondContact O-N 3.3Å; P30-A85 HydrophobicContact CB-CB 4.16Å; P30-A85 WeakPolarHBondContact CB-O 3.25Å; P30-A85 WeakPolarHBondContact CG-O 3.36Å; P30-T88 HydrophobicContact CG-CG2 4.04Å; P30-A89 HydrophobicContact CB-CB 4.13Å; P30-A89 HydrophobicContact CG-CB 3.81Å
31S96.4Very high88.1Confident76 Ų7662.4 Ų62.453%0.53133%0.329SS..Hα-helixtrans-61.4-41.2177-60.90000111.8S27 I28 I29 V34 L35S27-S31 WeakPolarHBondContact O-CB 3.31Å; S27-S31 PolarHBondContact O-N 3.02Å; S27-S31 PolarHBondContact O-OG 2.98Å; I28-S31 WeakPolarHBondContact O-CB 3.24Å; I28-S31 PolarHBondContact O-N 2.78Å; I29-S31 VanDerWaalsContact C-N 3.3Å; I29-S31 PolarHBondContact O-N 2.89Å; S31-V34 PolarHBondContact O-N 3.49Å; S31-L35 WeakPolarHBondContact O-CB 3.44Å; S31-L35 PolarHBondContact O-N 3.4Å
32I96.8Very high89.9Confident55 Ų5561.8 Ų61.828%0.28233%0.325SS..Hα-helixtrans-64.3-42.1175.3-66167.3000110.8I28 I29 P30 L35 A36 C317 L321I28-I32 HydrophobicContact CG2-CD1 3.79Å; I28-I32 HydrophobicContact CG2-CG1 4.49Å; I28-I32 WeakPolarHBondContact O-CG1 3.41Å; I28-I32 PolarHBondContact O-N 2.92Å; I29-I32 PolarHBondContact O-N 3.19Å; I29-I32 VanDerWaalsContact O-N 3.14Å; P30-I32 VanDerWaalsContact C-N 3.32Å; P30-I32 PolarHBondContact O-N 2.8Å; I32-L35 PolarHBondContact O-N 2.95Å; I32-A36 VanDerWaalsContact O-CB 3.24Å; I32-A36 WeakPolarHBondContact O-CB 3.29Å; I32-A36 PolarHBondContact O-N 3Å; I32-C317 VanDerWaalsContact CG2-SG 3.54Å; I32-L321 HydrophobicContact CG2-CD1 4.05Å; I32-L321 HydrophobicContact CG2-CD2 3.66Å; I32-L321 HydrophobicContact CG2-CG 4.1Å
33Y97.4Very high91.5Very high8 Ų857.1 Ų57.13%0.03131%0.311CS..Hα-helixtrans-62.5-42.9176.4-70.5-11.6000112.9I29 P30 A36 F37 L81 W84 A85 C317 Y320I29-Y33 HydrophobicContact CG2-CD1 4.47Å; I29-Y33 HydrophobicContact CG2-CD2 4.18Å; I29-Y33 HydrophobicContact CG2-CE1 4Å; I29-Y33 HydrophobicContact CG2-CE2 3.66Å; I29-Y33 PolarHBondContact O-N 3.5Å; P30-Y33 PolarHBondContact O-N 3.37Å; Y33-A36 PolarHBondContact O-N 3.15Å; Y33-F37 WeakPolarHBondContact O-CB 3.41Å; Y33-F37 PolarHBondContact O-N 3.43Å; Y33-L81 HydrophobicContact CD1-CD2 4.25Å; Y33-L81 HydrophobicContact CG-CD2 4.3Å; Y33-W84 HydrophobicContact CD2-CB 4.07Å; Y33-W84 HydrophobicContact CE2-CB 4.04Å; Y33-A85 HydrophobicContact CD2-CB 4.22Å; Y33-C317 HydrophobicContact CE1-CB 4Å; Y33-Y320 HydrophobicContact CD1-CD2 4.3Å; Y33-Y320 AromaticContact CE1-CD2 3.53Å; Y33-Y320 HydrophobicContact CE1-CD2 3.53Å; Y33-Y320 HydrophobicContact CE1-CE2 4.38Å; Y33-Y320 HydrophobicContact CE1-CG 4.28Å; Y33-Y320 HydrophobicContact CE2-CD2 4.34Å; Y33-Y320 HydrophobicContact CE2-CE2 4.47Å; Y33-Y320 AromaticContact CZ-CD2 3.56Å; Y33-Y320 AromaticContact CZ-CE2 3.96Å
34V97.8Very high93.1Very high68 Ų6849.5 Ų49.541%0.41228%0.281SS..Hα-helixtrans-64-43.6175.8173.60000110.8P30 S31 F37 L38 A85P30-V34 WeakPolarHBondContact O-CG2 3.17Å; P30-V34 PolarHBondContact O-N 3.3Å; S31-V34 PolarHBondContact O-N 3.49Å; V34-F37 WeakPolarHBondContact O-CB 3.5Å; V34-F37 PolarHBondContact O-N 2.94Å; V34-L38 HydrophobicContact CG1-CD1 4.33Å; V34-L38 WeakPolarHBondContact O-CG 3.16Å; V34-L38 PolarHBondContact O-N 3.49Å; V34-A85 HydrophobicContact CG2-CB 4.11Å
35L97.1Very high94.5Very high107 Ų10751.3 Ų51.356%0.5629%0.294SS*.Hα-helixtrans-62.9-43.9176.2-178.763.3000111.8S31 I32 F37 L38 V39S31-L35 WeakPolarHBondContact O-CB 3.44Å; S31-L35 PolarHBondContact O-N 3.4Å; I32-L35 PolarHBondContact O-N 2.95Å; L35-F37 VanDerWaalsContact C-N 3.32Å; L35-F37 PolarHBondContact O-N 3.21Å; L35-L38 PolarHBondContact O-N 2.87Å; L35-V39 HydrophobicContact CD1-CG2 3.82Å; L35-V39 HydrophobicContact CG-CG2 4.31Å; L35-V39 WeakPolarHBondContact O-CB 3.5Å; L35-V39 WeakPolarHBondContact O-CG2 3.21Å; L35-V39 PolarHBondContact O-N 3.24Å
36A97.1Very high95.4Very high3 Ų352.2 Ų52.23%0.02530%0.296CS..Hα-helixtrans-62.4-39.7177.400000111.7I32 Y33 G40 L81 L321 C324I32-A36 VanDerWaalsContact O-CB 3.24Å; I32-A36 WeakPolarHBondContact O-CB 3.29Å; I32-A36 PolarHBondContact O-N 3Å; Y33-A36 PolarHBondContact O-N 3.15Å; A36-G40 WeakPolarHBondContact O-CA 3.2Å; A36-G40 PolarHBondContact O-N 3.46Å; A36-L81 HydrophobicContact CB-CD1 3.8Å; A36-L321 HydrophobicContact CB-CD2 3.85Å; A36-C324 HydrophobicContact CB-CB 4.27Å
37F98.2Very high96Very high61 Ų6148.7 Ų48.727%0.26828%0.28SS..Hα-helixtrans-58.4-53.4171.3165.4-109000111.2Y33 V34 L35 C41 L78 L81 P82Y33-F37 WeakPolarHBondContact O-CB 3.41Å; Y33-F37 PolarHBondContact O-N 3.43Å; V34-F37 WeakPolarHBondContact O-CB 3.5Å; V34-F37 PolarHBondContact O-N 2.94Å; L35-F37 VanDerWaalsContact C-N 3.32Å; L35-F37 PolarHBondContact O-N 3.21Å; F37-C41 VanDerWaalsContact CD2-SG 3.52Å; F37-C41 VanDerWaalsContact CE2-SG 3.57Å; F37-C41 WeakPolarHBondContact O-CB 3.39Å; F37-C41 PolarHBondContact O-N 3.04Å; F37-C41 PolarHBondContact O-SG 3.37Å; F37-L78 WeakPolarHBondContact CD2-O 3.32Å; F37-L81 HydrophobicContact CB-CB 4.27Å; F37-P82 HydrophobicContact CB-CG 4.45Å; F37-P82 HydrophobicContact CD1-CG 4.08Å; F37-P82 HydrophobicContact CD2-CG 3.99Å; F37-P82 HydrophobicContact CE1-CG 4.32Å; F37-P82 HydrophobicContact CE2-CG 4.23Å; F37-P82 HydrophobicContact CG-CG 3.9Å; F37-P82 HydrophobicContact CZ-CG 4.39Å
38L97.6Very high96.3Very high104 Ų10445.8 Ų45.855%0.54526%0.257SS..Hα-helixtrans-62.6-53.6-176.9-66.7174.7000112.5V34 L35 L42V34-L38 HydrophobicContact CG1-CD1 4.33Å; V34-L38 WeakPolarHBondContact O-CG 3.16Å; V34-L38 PolarHBondContact O-N 3.49Å; L35-L38 PolarHBondContact O-N 2.87Å; L38-L42 WeakPolarHBondContact O-CB 3.27Å; L38-L42 PolarHBondContact O-N 3.05Å
39V96.3Very high96.3Very high56 Ų5644.9 Ų44.934%0.33925%0.248SC..Hα-helixtrans-69-43.1-177.8176.80000110.6L35 G43 L328L35-V39 HydrophobicContact CD1-CG2 3.82Å; L35-V39 HydrophobicContact CG-CG2 4.31Å; L35-V39 WeakPolarHBondContact O-CB 3.5Å; L35-V39 WeakPolarHBondContact O-CG2 3.21Å; L35-V39 PolarHBondContact O-N 3.24Å; V39-G43 PolarHBondContact O-N 3.49Å; V39-L328 HydrophobicContact CG1-CD2 4.31Å
40G97.1Very high96.1Very high0 Ų044.9 Ų44.90%025%0.248CC..Hα-helixtrans-66.4-45.5-178.600000112.3A36 G43 N44A36-G40 WeakPolarHBondContact O-CA 3.2Å; A36-G40 PolarHBondContact O-N 3.46Å; G40-G43 PolarHBondContact O-N 3.41Å; G40-N44 VanDerWaalsContact O-CB 3.26Å; G40-N44 WeakPolarHBondContact O-CB 3.36Å; G40-N44 PolarHBondContact O-N 3.44Å; G40-N44 PolarHBondContact O-ND2 3.42Å
41C97.8Very high95.8Very high21 Ų2144.4 Ų44.414%0.14225%0.245CC..Hα-helixtrans-64.6-49.3179.1-75.40000110.6F37 G43 N44 S45 L75F37-C41 VanDerWaalsContact CD2-SG 3.52Å; F37-C41 VanDerWaalsContact CE2-SG 3.57Å; F37-C41 WeakPolarHBondContact O-CB 3.39Å; F37-C41 PolarHBondContact O-N 3.04Å; F37-C41 PolarHBondContact O-SG 3.37Å; C41-G43 PolarHBondContact O-N 2.87Å; C41-N44 PolarHBondContact O-N 2.95Å; C41-S45 VanDerWaalsContact O-CB 3.24Å; C41-S45 WeakPolarHBondContact O-CB 3.32Å; C41-S45 PolarHBondContact O-N 3.32Å; C41-S45 PolarHBondContact O-OG 3.07Å; C41-L75 HydrophobicContact CB-CD2 4.3Å
42L96.4Very high95.5Very high138 Ų13844.7 Ų44.772%0.72324%0.24SC*.Hα-helixtrans-57.1-49.2177.1-174.9111.2000111.7L38 L46L38-L42 WeakPolarHBondContact O-CB 3.27Å; L38-L42 PolarHBondContact O-N 3.05Å; L42-L46 PolarHBondContact O-N 3.22Å; L42-L46 VanDerWaalsContact O-N 3.15Å
43G95.7Very high95Very high11 Ų1147.8 Ų47.811%0.11325%0.248CC..Hα-helixtrans-64.8-48.5-178.300000113V39 G40 C41 L46 V47V39-G43 PolarHBondContact O-N 3.49Å; G40-G43 PolarHBondContact O-N 3.41Å; C41-G43 PolarHBondContact O-N 2.87Å; G43-L46 PolarHBondContact O-N 3.47Å; G43-V47 WeakPolarHBondContact O-CG2 3.26Å; G43-V47 PolarHBondContact O-N 2.88Å
44N96.8Very high94.3Very high1 Ų148.4 Ų48.41%0.00525%0.251CS..Hα-helixtrans-72.7-31.8-177.9-73.8-64.2000112.2G40 C41 L46 V47 L48 A71 L75 L78 S323 P327G40-N44 VanDerWaalsContact O-CB 3.26Å; G40-N44 WeakPolarHBondContact O-CB 3.36Å; G40-N44 PolarHBondContact O-N 3.44Å; G40-N44 PolarHBondContact O-ND2 3.42Å; C41-N44 PolarHBondContact O-N 2.95Å; N44-L46 VanDerWaalsContact C-N 3.34Å; N44-V47 PolarHBondContact O-N 3.43Å; N44-L48 WeakPolarHBondContact O-CB 3.14Å; N44-L48 PolarHBondContact O-N 3.25Å; N44-A71 HydrophobicContact CB-CB 4.33Å; N44-L75 HydrophobicContact CB-CD1 4.31Å; N44-L75 HydrophobicContact CB-CD2 3.93Å; N44-L75 HydrophobicContact CB-CG 3.71Å; N44-L78 WeakPolarHBondContact ND2-CD1 3.43Å; N44-S323 PolarHBondContact ND2-O 3.5Å; N44-P327 HydrophobicContact CB-CG 4.35Å; N44-P327 WeakPolarHBondContact OD1-CG 3.18Å
45S96.3Very high93.6Very high59 Ų5946.1 Ų46.141%0.41324%0.24SC..Hα-helixtrans-61.8-42.3170.2-66.30000111.6C41 L48 W49C41-S45 VanDerWaalsContact O-CB 3.24Å; C41-S45 WeakPolarHBondContact O-CB 3.32Å; C41-S45 PolarHBondContact O-N 3.32Å; C41-S45 PolarHBondContact O-OG 3.07Å; S45-L48 PolarHBondContact O-N 2.82Å; S45-W49 VanDerWaalsContact O-CB 3.31Å; S45-W49 WeakPolarHBondContact O-CB 3.35Å; S45-W49 PolarHBondContact O-N 2.97Å
46L94.5Very high92.8Very high57 Ų5747.8 Ų47.830%0.29825%0.249SC..Hα-helixtrans-63.5-46.1175179.463.6000111.7L42 G43 N44 W49 V50 F337L42-L46 PolarHBondContact O-N 3.22Å; L42-L46 VanDerWaalsContact O-N 3.15Å; G43-L46 PolarHBondContact O-N 3.47Å; N44-L46 VanDerWaalsContact C-N 3.34Å; L46-W49 HydrophobicContact CD1-CE3 4.09Å; L46-W49 HydrophobicContact CD1-CZ3 4.36Å; L46-W49 PolarHBondContact O-N 3.16Å; L46-V50 HydrophobicContact CD1-CG2 4.07Å; L46-V50 WeakPolarHBondContact O-CB 3.47Å; L46-V50 VanDerWaalsContact O-CG2 3.29Å; L46-V50 WeakPolarHBondContact O-CG2 3.26Å; L46-V50 PolarHBondContact O-N 2.87Å; L46-F337 HydrophobicContact CD2-CZ 4.49Å
47V94.3Very high91.9Very high0 Ų056.2 Ų56.20%028%0.28CS..Hα-helixtrans-58.8-50.9176.4172.10000110.4G43 N44 W49 V50 Y51 I67 A71 P327 Y330 F337G43-V47 WeakPolarHBondContact O-CG2 3.26Å; G43-V47 PolarHBondContact O-N 2.88Å; N44-V47 PolarHBondContact O-N 3.43Å; V47-W49 VanDerWaalsContact C-N 3.34Å; V47-W49 PolarHBondContact O-N 2.98Å; V47-V50 PolarHBondContact O-N 2.9Å; V47-Y51 HydrophobicContact CG1-CD2 3.84Å; V47-Y51 HydrophobicContact CG1-CE2 4.29Å; V47-Y51 WeakPolarHBondContact O-CB 3.42Å; V47-Y51 WeakPolarHBondContact O-CD2 3.38Å; V47-Y51 PolarHBondContact O-N 3.38Å; V47-I67 HydrophobicContact CG1-CG2 3.86Å; V47-A71 HydrophobicContact CB-CB 4.17Å; V47-A71 HydrophobicContact CG1-CB 3.81Å; V47-P327 HydrophobicContact CG2-CB 4.2Å; V47-P327 HydrophobicContact CG2-CG 4.28Å; V47-Y330 HydrophobicContact CG1-CD2 4.3Å; V47-Y330 HydrophobicContact CG1-CE2 4.09Å; V47-Y330 HydrophobicContact CG2-CD2 3.84Å; V47-Y330 HydrophobicContact CG2-CE2 4.36Å; V47-F337 HydrophobicContact CG2-CE2 3.84Å; V47-F337 HydrophobicContact CG2-CZ 3.71Å
48L95.1Very high90.3Very high29 Ų2962 Ų6215%0.15231%0.308CS..Hα-helixtrans-56.9-49-179.9-177.263.4000110.7N44 S45 Y51 L52 A68 A71 L72 L75N44-L48 WeakPolarHBondContact O-CB 3.14Å; N44-L48 PolarHBondContact O-N 3.25Å; S45-L48 PolarHBondContact O-N 2.82Å; L48-Y51 PolarHBondContact O-N 3.26Å; L48-L52 HydrophobicContact CD1-CD1 3.69Å; L48-L52 HydrophobicContact CD1-CD2 4.37Å; L48-L52 HydrophobicContact CD1-CG 3.84Å; L48-L52 HydrophobicContact CD2-CD1 4.46Å; L48-L52 HydrophobicContact CG-CD1 3.71Å; L48-L52 HydrophobicContact CG-CG 4.23Å; L48-L52 VanDerWaalsContact O-CB 3.27Å; L48-L52 WeakPolarHBondContact O-CB 3.33Å; L48-L52 WeakPolarHBondContact O-CG 3.38Å; L48-L52 PolarHBondContact O-N 3.06Å; L48-A68 HydrophobicContact CD1-CB 4Å; L48-A68 WeakPolarHBondContact CD1-O 3.47Å; L48-A71 HydrophobicContact CB-CB 4.11Å; L48-L72 HydrophobicContact CD1-CB 4.3Å; L48-L72 HydrophobicContact CD2-CD1 4.38Å; L48-L75 HydrophobicContact CB-CD1 4.38Å; L48-L75 HydrophobicContact CD2-CD1 3.73Å
49W92.6Very high88.9Confident75 Ų7563.3 Ų63.328%0.28431%0.311SS..Hα-helixtrans-61.7-48.2179.9179.468.5000113.3S45 L46 V47 Y51 R53 T344 W348S45-W49 VanDerWaalsContact O-CB 3.31Å; S45-W49 WeakPolarHBondContact O-CB 3.35Å; S45-W49 PolarHBondContact O-N 2.97Å; L46-W49 HydrophobicContact CD1-CE3 4.09Å; L46-W49 HydrophobicContact CD1-CZ3 4.36Å; L46-W49 PolarHBondContact O-N 3.16Å; V47-W49 VanDerWaalsContact C-N 3.34Å; V47-W49 PolarHBondContact O-N 2.98Å; W49-Y51 PolarHBondContact O-N 3.23Å; W49-R53 VanDerWaalsContact CE2-CZ 3.5Å; W49-R53 VanDerWaalsContact CZ2-NH1 3.25Å; W49-R53 VanDerWaalsContact NE1-NE 3.2Å; W49-R53 WeakPolarHBondContact O-CG 3.48Å; W49-R53 PolarHBondContact O-N 3.32Å; W49-T344 HydrophobicContact CE3-CG2 4.04Å; W49-T344 HydrophobicContact CH2-CG2 3.07Å; W49-T344 HydrophobicContact CZ2-CG2 3.64Å; W49-T344 HydrophobicContact CZ3-CG2 3.28Å; W49-W348 AromaticContact CH2-NE1 3.66Å; W49-W348 AromaticContact CZ2-NE1 3.56Å
50V91Very high87.8Confident1 Ų161.7 Ų61.71%0.00630%0.304CS..Hα-helixtrans-63.3-42.5-179.8169.90000111.1L46 V47 Q54 R340L46-V50 HydrophobicContact CD1-CG2 4.07Å; L46-V50 WeakPolarHBondContact O-CB 3.47Å; L46-V50 VanDerWaalsContact O-CG2 3.29Å; L46-V50 WeakPolarHBondContact O-CG2 3.26Å; L46-V50 PolarHBondContact O-N 2.87Å; V47-V50 PolarHBondContact O-N 2.9Å; V50-Q54 VanDerWaalsContact CG1-NE2 3.27Å; V50-Q54 WeakPolarHBondContact O-CG 3.29Å; V50-Q54 PolarHBondContact O-N 3.49Å; V50-Q54 PolarHBondContact O-NE2 3.24Å; V50-R340 HydrophobicContact CG1-CB 3.77Å
51Y90.1Very high86.9Confident2 Ų263 Ų631%0.00831%0.312CS..Hα-helixtrans-82-31.5-175.4-82.8-81.6000113.7V47 L48 W49 Q54 A55 Y64 I67 D334 F337 R340V47-Y51 HydrophobicContact CG1-CD2 3.84Å; V47-Y51 HydrophobicContact CG1-CE2 4.29Å; V47-Y51 WeakPolarHBondContact O-CB 3.42Å; V47-Y51 WeakPolarHBondContact O-CD2 3.38Å; V47-Y51 PolarHBondContact O-N 3.38Å; L48-Y51 PolarHBondContact O-N 3.26Å; W49-Y51 PolarHBondContact O-N 3.23Å; Y51-Q54 PolarHBondContact O-N 3.36Å; Y51-A55 VanDerWaalsContact O-CB 3.26Å; Y51-A55 WeakPolarHBondContact O-CB 3.2Å; Y51-A55 PolarHBondContact O-N 3.11Å; Y51-Y64 AromaticContact CD1-CD1 3.69Å; Y51-Y64 HydrophobicContact CD1-CD1 3.69Å; Y51-Y64 HydrophobicContact CD1-CE1 4.37Å; Y51-Y64 AromaticContact CD1-CG 3.81Å; Y51-Y64 HydrophobicContact CD1-CG 3.81Å; Y51-Y64 AromaticContact CE1-CD1 3.49Å; Y51-Y64 HydrophobicContact CE1-CD1 3.49Å; Y51-Y64 VanDerWaalsContact CE1-CD1 3.49Å; Y51-Y64 AromaticContact CE1-CE1 3.82Å; Y51-Y64 HydrophobicContact CE1-CE1 3.82Å; Y51-Y64 HydrophobicContact CE1-CG 4.09Å; Y51-I67 HydrophobicContact CD1-CB 4.32Å; Y51-I67 HydrophobicContact CD1-CD1 4.39Å; Y51-I67 HydrophobicContact CD1-CG2 4.21Å; Y51-I67 HydrophobicContact CD2-CG2 3.71Å; Y51-I67 HydrophobicContact CE1-CB 4.47Å; Y51-I67 HydrophobicContact CE1-CD1 3.78Å; Y51-I67 HydrophobicContact CE1-CG2 4.28Å; Y51-I67 HydrophobicContact CE2-CG2 3.79Å; Y51-I67 HydrophobicContact CG-CB 4.4Å; Y51-I67 HydrophobicContact CG-CG2 3.92Å; Y51-D334 PolarHBondContact OH-OD2 2.84Å; Y51-F337 AromaticContact CE2-CD2 3.7Å; Y51-F337 HydrophobicContact CE2-CD2 3.7Å; Y51-F337 HydrophobicContact CE2-CE2 4.17Å; Y51-R340 PolarHBondContact OH-NH1 3.35Å
52L89.3Confident86.1Confident82 Ų8262.6 Ų62.643%0.42931%0.31SS..Hα-helixtrans-62.4-49.9171.8-75.6176.3000111.2L48 Q54 A55 D56 A68L48-L52 HydrophobicContact CD1-CD1 3.69Å; L48-L52 HydrophobicContact CD1-CD2 4.37Å; L48-L52 HydrophobicContact CD1-CG 3.84Å; L48-L52 HydrophobicContact CD2-CD1 4.46Å; L48-L52 HydrophobicContact CG-CD1 3.71Å; L48-L52 HydrophobicContact CG-CG 4.23Å; L48-L52 VanDerWaalsContact O-CB 3.27Å; L48-L52 WeakPolarHBondContact O-CB 3.33Å; L48-L52 WeakPolarHBondContact O-CG 3.38Å; L48-L52 PolarHBondContact O-N 3.06Å; L52-Q54 PolarHBondContact O-N 3.4Å; L52-Q54 VanDerWaalsContact O-N 3.08Å; L52-A55 PolarHBondContact O-N 3.5Å; L52-D56 PolarHBondContact O-N 2.97Å; L52-D56 VanDerWaalsContact O-N 3.12Å; L52-A68 HydrophobicContact CD2-CB 4.01Å; L52-A68 HydrophobicContact CG-CB 4.27Å
53R86.8Confident85.4Confident120 Ų12056 Ų5645%0.45328%0.275SS..Hα-helixtrans-56.5-30.1176.2-76.3-174.8168.3-164.8-2.3113.4W49W49-R53 VanDerWaalsContact CE2-CZ 3.5Å; W49-R53 VanDerWaalsContact CZ2-NH1 3.25Å; W49-R53 VanDerWaalsContact NE1-NE 3.2Å; W49-R53 WeakPolarHBondContact O-CG 3.48Å; W49-R53 PolarHBondContact O-N 3.32Å
54Q83.5Confident85.1Confident21 Ų2156.9 Ų56.910%0.09828%0.275CS..Hα-helixtrans-86.5-32.5178.2-73.5167.731.300112.9V50 Y51 L52 D56 R57 A60 Y64 R340V50-Q54 VanDerWaalsContact CG1-NE2 3.27Å; V50-Q54 WeakPolarHBondContact O-CG 3.29Å; V50-Q54 PolarHBondContact O-N 3.49Å; V50-Q54 PolarHBondContact O-NE2 3.24Å; Y51-Q54 PolarHBondContact O-N 3.36Å; L52-Q54 PolarHBondContact O-N 3.4Å; L52-Q54 VanDerWaalsContact O-N 3.08Å; Q54-D56 VanDerWaalsContact C-N 3.28Å; Q54-R57 WeakPolarHBondContact O-CB 3.26Å; Q54-R57 PolarHBondContact O-N 3.33Å; Q54-A60 WeakPolarHBondContact O-CB 3.43Å; Q54-Y64 HydrophobicContact CB-CD2 3.78Å; Q54-Y64 HydrophobicContact CB-CE2 4.02Å; Q54-R340 VanDerWaalsContact NE2-CG 3.26Å; Q54-R340 VanDerWaalsContact OE1-CZ 3.24Å; Q54-R340 VanDerWaalsContact OE1-NE 3.16Å
55A82.2Confident84.7Confident21 Ų2158.1 Ų58.117%0.17428%0.284CS..Hα-helixtrans-65-32.8176.700000111.8Y51 L52 R57 A60Y51-A55 VanDerWaalsContact O-CB 3.26Å; Y51-A55 WeakPolarHBondContact O-CB 3.2Å; Y51-A55 PolarHBondContact O-N 3.11Å; L52-A55 PolarHBondContact O-N 3.5Å; A55-R57 PolarHBondContact O-N 3.3Å; A55-A60 WeakPolarHBondContact O-CB 3.46Å
56D80Confident84.4Confident141 Ų14155.8 Ų55.875%0.75427%0.267SS*.THydrogen-bonded Turntrans-69.6-11.2177.8-70.1-13.5000113.9L52 Q54L52-D56 PolarHBondContact O-N 2.97Å; L52-D56 VanDerWaalsContact O-N 3.12Å; Q54-D56 VanDerWaalsContact C-N 3.28Å
57R79.4Confident84.3Confident180 Ų18053.6 Ų53.668%0.67926%0.256SS*.SBendtrans-73.3136.7177.5-65.6-176.3172176.8-3.6110.4Q54 A55 H59 A60Q54-R57 WeakPolarHBondContact O-CB 3.26Å; Q54-R57 PolarHBondContact O-N 3.33Å; A55-R57 PolarHBondContact O-N 3.3Å; R57-H59 PolarHBondContact O-N 3.19Å; R57-A60 WeakPolarHBondContact O-CB 3.49Å; R57-A60 PolarHBondContact O-N 2.89Å
58Q62.9Low84.2Confident184 Ų18453.9 Ų53.986%0.8626%0.258SS*.THydrogen-bonded Turntrans-53.6-15.8-174.5-157.8169.818.700115.8
59H68.3Low84.1Confident130 Ų13052.8 Ų52.860%0.60225%0.253SS*.THydrogen-bonded Turntrans-126.122.4180-63.390.6000113.7R57R57-H59 PolarHBondContact O-N 3.19Å
60A74.6Confident84.2Confident22 Ų2249.5 Ų49.518%0.18224%0.24CC..  trans-62.4140.3179.300000112.2Q54 A55 R57 Y64 R143Q54-A60 WeakPolarHBondContact O-CB 3.43Å; A55-A60 WeakPolarHBondContact O-CB 3.46Å; R57-A60 WeakPolarHBondContact O-CB 3.49Å; R57-A60 PolarHBondContact O-N 2.89Å; A60-Y64 HydrophobicContact CB-CD2 4.2Å; A60-R143 PolarHBondContact O-NH1 3.49Å
61P77.6Confident84.5Confident27 Ų2749.5 Ų49.518%0.17524%0.241CC..  trans-62.5138.3165.3-18.330.9000111.1S63 Y64P61-S63 PolarHBondContact O-N 3.42Å; P61-S63 VanDerWaalsContact O-N 3.07Å; P61-Y64 VanDerWaalsContact CD-CE2 3.43Å; P61-Y64 HydrophobicContact CG-CD2 4.44Å; P61-Y64 HydrophobicContact CG-CE1 4.17Å; P61-Y64 HydrophobicContact CG-CE2 4.07Å; P61-Y64 WeakPolarHBondContact O-CB 3.41Å; P61-Y64 PolarHBondContact O-N 3.01Å
62S79.9Confident84.8Confident14 Ų1452.8 Ų52.810%0.09826%0.258CS..Hα-helixtrans-57.6-24174.6210000113.5Y64 S65 L66 E125 R134S62-Y64 PolarHBondContact O-N 3.29Å; S62-S65 PolarHBondContact O-N 2.92Å; S62-L66 PolarHBondContact O-N 3.32Å; S62-E125 WeakPolarHBondContact CB-OE1 3.41Å; S62-E125 PolarHBondContact OG-OE1 3.48Å; S62-R134 PolarHBondContact OG-NH2 3.06Å
63S83.2Confident85.1Confident0 Ų049 Ų490%024%0.238CC..Hα-helixtrans-58.6-27.2173.1-42.10000113.8P61 L66 I67 E125 R126P61-S63 PolarHBondContact O-N 3.42Å; P61-S63 VanDerWaalsContact O-N 3.07Å; S63-L66 PolarHBondContact O-N 2.82Å; S63-I67 WeakPolarHBondContact O-CD1 3.35Å; S63-I67 WeakPolarHBondContact O-CG1 3.35Å; S63-I67 PolarHBondContact O-N 3.01Å; S63-E125 WeakPolarHBondContact CA-OE2 3.22Å; S63-E125 WeakPolarHBondContact CB-OE2 3.35Å; S63-E125 PolarHBondContact N-OE2 2.97Å; S63-E125 VanDerWaalsContact N-OE2 3.15Å; S63-E125 PolarHBondContact OG-OE2 3.31Å; S63-R126 VanDerWaalsContact OG-CZ 3.3Å; S63-R126 PolarHBondContact OG-NH1 2.99Å; S63-R126 PolarHBondContact OG-NH2 2.83Å
64Y87.8Confident85.7Confident28 Ų2843.3 Ų43.311%0.1122%0.217CC..Hα-helixtrans-69.3-42.8179.8-69.2-5.9000111.6Y51 Q54 A60 P61 S62 L66 I67 A68 R340Y51-Y64 AromaticContact CD1-CD1 3.69Å; Y51-Y64 HydrophobicContact CD1-CD1 3.69Å; Y51-Y64 HydrophobicContact CD1-CE1 4.37Å; Y51-Y64 AromaticContact CD1-CG 3.81Å; Y51-Y64 HydrophobicContact CD1-CG 3.81Å; Y51-Y64 AromaticContact CE1-CD1 3.49Å; Y51-Y64 HydrophobicContact CE1-CD1 3.49Å; Y51-Y64 VanDerWaalsContact CE1-CD1 3.49Å; Y51-Y64 AromaticContact CE1-CE1 3.82Å; Y51-Y64 HydrophobicContact CE1-CE1 3.82Å; Y51-Y64 HydrophobicContact CE1-CG 4.09Å; Q54-Y64 HydrophobicContact CB-CD2 3.78Å; Q54-Y64 HydrophobicContact CB-CE2 4.02Å; A60-Y64 HydrophobicContact CB-CD2 4.2Å; P61-Y64 VanDerWaalsContact CD-CE2 3.43Å; P61-Y64 HydrophobicContact CG-CD2 4.44Å; P61-Y64 HydrophobicContact CG-CE1 4.17Å; P61-Y64 HydrophobicContact CG-CE2 4.07Å; P61-Y64 WeakPolarHBondContact O-CB 3.41Å; P61-Y64 PolarHBondContact O-N 3.01Å; S62-Y64 PolarHBondContact O-N 3.29Å; Y64-L66 VanDerWaalsContact C-N 3.31Å; Y64-L66 PolarHBondContact O-N 3.39Å; Y64-I67 PolarHBondContact O-N 3.33Å; Y64-A68 WeakPolarHBondContact O-CB 3.42Å; Y64-A68 PolarHBondContact O-N 2.88Å; Y64-R340 VanDerWaalsContact OH-CZ 3.28Å; Y64-R340 PolarHBondContact OH-NH1 2.97Å; Y64-R340 PolarHBondContact OH-NH2 3.46Å
65S89.7Confident86.3Confident28 Ų2843.3 Ų43.320%0.19622%0.218CC..Hα-helixtrans-66.8-32.5176.2-42.90000112.2S62 S69S62-S65 PolarHBondContact O-N 2.92Å; S65-S69 WeakPolarHBondContact O-CB 3.23Å; S65-S69 PolarHBondContact O-N 3.03Å
66L90.6Very high87.1Confident9 Ų944.4 Ų44.45%0.04722%0.223CC..Hα-helixtrans-69.7-39.2173.2-72.1168.5000112.6S62 S63 Y64 S69 L70 M121 L152S62-L66 PolarHBondContact O-N 3.32Å; S63-L66 PolarHBondContact O-N 2.82Å; Y64-L66 VanDerWaalsContact C-N 3.31Å; Y64-L66 PolarHBondContact O-N 3.39Å; L66-S69 WeakPolarHBondContact O-CB 3.39Å; L66-S69 PolarHBondContact O-N 3.29Å; L66-L70 PolarHBondContact O-N 3.45Å; L66-M121 HydrophobicContact CD1-CB 4.24Å; L66-M121 HydrophobicContact CD1-CG 3.82Å; L66-M121 HydrophobicContact CD2-CB 4.28Å; L66-M121 HydrophobicContact CD2-CG 4.12Å; L66-L152 HydrophobicContact CD2-CD2 3.86Å
67I91.3Very high87.9Confident12 Ų1237.8 Ų37.86%0.06219%0.188CC..Hα-helixtrans-65.8-41174.1-68162.9000110.5V47 Y51 S63 Y64 S69 L70 A71 Y330V47-I67 HydrophobicContact CG1-CG2 3.86Å; Y51-I67 HydrophobicContact CD1-CB 4.32Å; Y51-I67 HydrophobicContact CD1-CD1 4.39Å; Y51-I67 HydrophobicContact CD1-CG2 4.21Å; Y51-I67 HydrophobicContact CD2-CG2 3.71Å; Y51-I67 HydrophobicContact CE1-CB 4.47Å; Y51-I67 HydrophobicContact CE1-CD1 3.78Å; Y51-I67 HydrophobicContact CE1-CG2 4.28Å; Y51-I67 HydrophobicContact CE2-CG2 3.79Å; Y51-I67 HydrophobicContact CG-CB 4.4Å; Y51-I67 HydrophobicContact CG-CG2 3.92Å; S63-I67 WeakPolarHBondContact O-CD1 3.35Å; S63-I67 WeakPolarHBondContact O-CG1 3.35Å; S63-I67 PolarHBondContact O-N 3.01Å; Y64-I67 PolarHBondContact O-N 3.33Å; I67-S69 VanDerWaalsContact C-N 3.34Å; I67-L70 PolarHBondContact O-N 3.47Å; I67-A71 PolarHBondContact O-N 3.32Å; I67-Y330 HydrophobicContact CG2-CE1 4.49Å; I67-Y330 HydrophobicContact CG2-CE2 4.24Å
68A92.6Very high88.8Confident5 Ų529.2 Ų29.24%0.04116%0.155CC..Hα-helixtrans-62.7-4117300000111.8L48 L52 Y64 L70 A71 L72L48-A68 HydrophobicContact CD1-CB 4Å; L48-A68 WeakPolarHBondContact CD1-O 3.47Å; L52-A68 HydrophobicContact CD2-CB 4.01Å; L52-A68 HydrophobicContact CG-CB 4.27Å; Y64-A68 WeakPolarHBondContact O-CB 3.42Å; Y64-A68 PolarHBondContact O-N 2.88Å; A68-L70 VanDerWaalsContact C-N 3.35Å; A68-L70 PolarHBondContact O-N 2.93Å; A68-A71 PolarHBondContact O-N 3.34Å; A68-L72 WeakPolarHBondContact O-CB 3.26Å; A68-L72 PolarHBondContact O-N 3.36Å
69S93.8Very high90.5Very high7 Ų724.5 Ų24.55%0.04914%0.139CC..Hα-helixtrans-60.1-42.4174.6-172.70000112.5S65 L66 I67 L72 A73 W156S65-S69 WeakPolarHBondContact O-CB 3.23Å; S65-S69 PolarHBondContact O-N 3.03Å; L66-S69 WeakPolarHBondContact O-CB 3.39Å; L66-S69 PolarHBondContact O-N 3.29Å; I67-S69 VanDerWaalsContact C-N 3.34Å; S69-L72 PolarHBondContact O-N 3.38Å; S69-A73 PolarHBondContact O-N 3.03Å; S69-W156 PolarHBondContact OG-NE1 3.21Å
70L94.1Very high91.9Very high5 Ų518.6 Ų18.63%0.02611%0.112CC..Hα-helixtrans-62.3-48.8175.7-178.364.6000111L66 I67 A68 L72 A73 D74 S115 L119L66-L70 PolarHBondContact O-N 3.45Å; I67-L70 PolarHBondContact O-N 3.47Å; A68-L70 VanDerWaalsContact C-N 3.35Å; A68-L70 PolarHBondContact O-N 2.93Å; L70-L72 VanDerWaalsContact C-N 3.28Å; L70-L72 PolarHBondContact O-N 2.85Å; L70-A73 PolarHBondContact O-N 3.37Å; L70-D74 PolarHBondContact O-N 3.32Å; L70-S115 VanDerWaalsContact CD1-OG 3.28Å; L70-S115 WeakPolarHBondContact CD1-OG 3.36Å; L70-L119 HydrophobicContact CD2-CD2 4.2Å
71A96.1Very high93Very high1 Ų117.5 Ų17.51%0.00810%0.103CC..Hα-helixtrans-61.5-35177.600000112.7N44 V47 L48 I67 A68 L75N44-A71 HydrophobicContact CB-CB 4.33Å; V47-A71 HydrophobicContact CB-CB 4.17Å; V47-A71 HydrophobicContact CG1-CB 3.81Å; L48-A71 HydrophobicContact CB-CB 4.11Å; I67-A71 PolarHBondContact O-N 3.32Å; A68-A71 PolarHBondContact O-N 3.34Å; A71-L75 WeakPolarHBondContact O-CB 3.34Å; A71-L75 VanDerWaalsContact O-CG 3.26Å; A71-L75 WeakPolarHBondContact O-CG 3.44Å; A71-L75 PolarHBondContact O-N 3.49Å
72L96.8Very high93.9Very high72 Ų7218.3 Ų18.338%0.37711%0.109SC..Hα-helixtrans-67.4-44.7174.6-179.362.2000111.9L48 A68 S69 L70 D74 L75 C76 W156L48-L72 HydrophobicContact CD1-CB 4.3Å; L48-L72 HydrophobicContact CD2-CD1 4.38Å; A68-L72 WeakPolarHBondContact O-CB 3.26Å; A68-L72 PolarHBondContact O-N 3.36Å; S69-L72 PolarHBondContact O-N 3.38Å; L70-L72 VanDerWaalsContact C-N 3.28Å; L70-L72 PolarHBondContact O-N 2.85Å; L72-D74 VanDerWaalsContact C-N 3.34Å; L72-L75 PolarHBondContact O-N 3.22Å; L72-C76 PolarHBondContact O-N 2.59Å; L72-C76 PolarHBondContact O-SG 3.09Å; L72-W156 HydrophobicContact CB-CZ2 4.25Å; L72-W156 HydrophobicContact CD2-CH2 4.19Å; L72-W156 HydrophobicContact CD2-CZ2 3.89Å; L72-W156 HydrophobicContact CG-CH2 4.08Å; L72-W156 HydrophobicContact CG-CZ2 4.09Å
73A96.9Very high94.8Very high2 Ų219.1 Ų19.12%0.01711%0.112CC..Hα-helixtrans-61.1-44.2176.100000111.7S69 L70 C76 F77 A114 W156S69-A73 PolarHBondContact O-N 3.03Å; L70-A73 PolarHBondContact O-N 3.37Å; A73-C76 PolarHBondContact O-N 2.85Å; A73-F77 PolarHBondContact O-N 3.3Å; A73-F77 VanDerWaalsContact O-N 3.16Å; A73-A114 HydrophobicContact CB-CB 3.89Å; A73-W156 HydrophobicContact CB-CH2 3.94Å; A73-W156 HydrophobicContact CB-CZ2 4.29Å
74D97.6Very high95.4Very high0 Ų019.9 Ų19.90%012%0.115CC..Hα-helixtrans-60.3-46.7175.4-73.5-34.7000111L70 L72 C76 F77 L78 N111 S323 N326L70-D74 PolarHBondContact O-N 3.32Å; L72-D74 VanDerWaalsContact C-N 3.34Å; D74-C76 PolarHBondContact O-N 2.95Å; D74-F77 PolarHBondContact O-N 3.15Å; D74-L78 HydrophobicContact CB-CD1 4.34Å; D74-L78 VanDerWaalsContact O-CB 3.32Å; D74-L78 WeakPolarHBondContact O-CB 3.37Å; D74-L78 WeakPolarHBondContact O-CD1 3.11Å; D74-L78 WeakPolarHBondContact O-CG 3.42Å; D74-L78 PolarHBondContact O-N 3.34Å; D74-N111 PolarHBondContact OD1-OD1 3.22Å; D74-S323 VanDerWaalsContact OD1-CA 3.28Å; D74-S323 WeakPolarHBondContact OD1-CA 3.41Å; D74-S323 WeakPolarHBondContact OD1-CB 3.22Å; D74-S323 PolarHBondContact OD1-OG 3.01Å; D74-N326 PolarHBondContact OD2-ND2 3.15Å
75L98.1Very high95.9Very high22 Ų2218.8 Ų18.812%0.11511%0.111CC..Hα-helixtrans-60.1-47.3178.1-78.8167.5000112.7C41 N44 L48 A71 L72 F77 L78 V79C41-L75 HydrophobicContact CB-CD2 4.3Å; N44-L75 HydrophobicContact CB-CD1 4.31Å; N44-L75 HydrophobicContact CB-CD2 3.93Å; N44-L75 HydrophobicContact CB-CG 3.71Å; L48-L75 HydrophobicContact CB-CD1 4.38Å; L48-L75 HydrophobicContact CD2-CD1 3.73Å; A71-L75 WeakPolarHBondContact O-CB 3.34Å; A71-L75 VanDerWaalsContact O-CG 3.26Å; A71-L75 WeakPolarHBondContact O-CG 3.44Å; A71-L75 PolarHBondContact O-N 3.49Å; L72-L75 PolarHBondContact O-N 3.22Å; L75-F77 PolarHBondContact O-N 3.05Å; L75-L78 PolarHBondContact O-N 3.22Å; L75-V79 WeakPolarHBondContact O-CG1 3.32Å; L75-V79 PolarHBondContact O-N 2.49Å; L75-V79 VanDerWaalsContact O-N 3.16Å
76C97.1Very high96.2Very high43 Ų4319.8 Ų19.829%0.29112%0.116SC..Hα-helixtrans-58.6-35178.4-70.80000112.1L72 A73 D74 V79 L107L72-C76 PolarHBondContact O-N 2.59Å; L72-C76 PolarHBondContact O-SG 3.09Å; A73-C76 PolarHBondContact O-N 2.85Å; D74-C76 PolarHBondContact O-N 2.95Å; C76-V79 WeakPolarHBondContact O-CG2 3.17Å; C76-L107 HydrophobicContact CB-CD2 4.24Å
77F98Very high96.4Very high2 Ų220.7 Ų20.71%0.00912%0.119CC..Hα-helixtrans-78-45.5174.6161.8-108.3000112.8A73 D74 L75 V79 T80 L81 T108 N111 Y320A73-F77 PolarHBondContact O-N 3.3Å; A73-F77 VanDerWaalsContact O-N 3.16Å; D74-F77 PolarHBondContact O-N 3.15Å; L75-F77 PolarHBondContact O-N 3.05Å; F77-V79 VanDerWaalsContact C-N 3.26Å; F77-V79 PolarHBondContact O-N 3.13Å; F77-T80 WeakPolarHBondContact O-CA 3.26Å; F77-T80 WeakPolarHBondContact O-CB 3.42Å; F77-T80 PolarHBondContact O-N 2.89Å; F77-T80 PolarHBondContact O-OG1 3.38Å; F77-L81 HydrophobicContact CE1-CD1 4.47Å; F77-L81 HydrophobicContact CE1-CD2 4.12Å; F77-L81 HydrophobicContact CE1-CG 4.29Å; F77-L81 HydrophobicContact CE2-CD2 4.13Å; F77-L81 HydrophobicContact CZ-CD2 3.54Å; F77-L81 HydrophobicContact CZ-CG 4.12Å; F77-T108 HydrophobicContact CD2-CG2 4.41Å; F77-T108 HydrophobicContact CE2-CG2 4.05Å; F77-T108 WeakPolarHBondContact CE2-OG1 3.48Å; F77-N111 HydrophobicContact CB-CB 3.54Å; F77-N111 VanDerWaalsContact CD1-ND2 3.33Å; F77-N111 WeakPolarHBondContact CD1-ND2 3.44Å; F77-N111 HydrophobicContact CG-CB 4.07Å; F77-N111 WeakPolarHBondContact CG-ND2 3.37Å; F77-Y320 HydrophobicContact CE1-CD1 4.44Å; F77-Y320 HydrophobicContact CE1-CG 4.31Å; F77-Y320 HydrophobicContact CE2-CD1 4.11Å; F77-Y320 HydrophobicContact CE2-CD2 4.41Å; F77-Y320 HydrophobicContact CE2-CE1 4.11Å; F77-Y320 HydrophobicContact CE2-CE2 4.41Å; F77-Y320 HydrophobicContact CE2-CG 4.28Å; F77-Y320 AromaticContact CZ-CD1 3.54Å; F77-Y320 HydrophobicContact CZ-CD1 3.54Å; F77-Y320 AromaticContact CZ-CD2 3.82Å; F77-Y320 HydrophobicContact CZ-CD2 3.82Å; F77-Y320 HydrophobicContact CZ-CE1 4.01Å; F77-Y320 HydrophobicContact CZ-CE2 4.27Å; F77-Y320 AromaticContact CZ-CG 3.45Å; F77-Y320 HydrophobicContact CZ-CG 3.45Å; F77-Y320 VanDerWaalsContact CZ-CG 3.45Å
78L98.3Very high96.4Very high0 Ų020.5 Ų20.50%012%0.119CC..Hα-helixtrans-58.6-37.4-175.5-74.6165.6000112.2F37 N44 D74 L75 T80 L81F37-L78 WeakPolarHBondContact CD2-O 3.32Å; N44-L78 WeakPolarHBondContact ND2-CD1 3.43Å; D74-L78 HydrophobicContact CB-CD1 4.34Å; D74-L78 VanDerWaalsContact O-CB 3.32Å; D74-L78 WeakPolarHBondContact O-CB 3.37Å; D74-L78 WeakPolarHBondContact O-CD1 3.11Å; D74-L78 WeakPolarHBondContact O-CG 3.42Å; D74-L78 PolarHBondContact O-N 3.34Å; L75-L78 PolarHBondContact O-N 3.22Å; L78-T80 PolarHBondContact O-N 2.94Å; L78-T80 VanDerWaalsContact O-N 3.1Å; L78-L81 HydrophobicContact CD2-CD1 3.61Å; L78-L81 WeakPolarHBondContact O-CB 3.34Å; L78-L81 PolarHBondContact O-N 3.08Å
79V97.6Very high96.5Very high85 Ų8522.7 Ų22.752%0.51514%0.137SC..THydrogen-bonded Turntrans-62.2-17175.7-63.50000113.6L75 C76 F77L75-V79 WeakPolarHBondContact O-CG1 3.32Å; L75-V79 PolarHBondContact O-N 2.49Å; L75-V79 VanDerWaalsContact O-N 3.16Å; C76-V79 WeakPolarHBondContact O-CG2 3.17Å; F77-V79 VanDerWaalsContact C-N 3.26Å; F77-V79 PolarHBondContact O-N 3.13Å
80T97.6Very high96.3Very high6 Ų627.5 Ų27.54%0.03716%0.16CC..THydrogen-bonded Turntrans-88.6-17.1175.476.20000113.2F77 L78 P82 L83 W84 L107F77-T80 WeakPolarHBondContact O-CA 3.26Å; F77-T80 WeakPolarHBondContact O-CB 3.42Å; F77-T80 PolarHBondContact O-N 2.89Å; F77-T80 PolarHBondContact O-OG1 3.38Å; L78-T80 PolarHBondContact O-N 2.94Å; L78-T80 VanDerWaalsContact O-N 3.1Å; T80-P82 VanDerWaalsContact C-CD 3.44Å; T80-P82 VanDerWaalsContact C-N 3.35Å; T80-L83 VanDerWaalsContact O-CB 3.31Å; T80-L83 WeakPolarHBondContact O-CB 3.08Å; T80-L83 PolarHBondContact O-N 3.02Å; T80-W84 VanDerWaalsContact O-CD1 3.3Å; T80-W84 PolarHBondContact O-N 3.27Å; T80-L107 HydrophobicContact CG2-CB 4.06Å; T80-L107 HydrophobicContact CG2-CD1 3.62Å; T80-L107 HydrophobicContact CG2-CG 4.48Å
81L97.8Very high96Very high0 Ų029 Ų290%018%0.176CC..Hα-helixtrans-56.9-36.4-177.9-76.9-176.1000114.7Y33 A36 F37 F77 L78 L83 W84 A85 Y320Y33-L81 HydrophobicContact CD1-CD2 4.25Å; Y33-L81 HydrophobicContact CG-CD2 4.3Å; A36-L81 HydrophobicContact CB-CD1 3.8Å; F37-L81 HydrophobicContact CB-CB 4.27Å; F77-L81 HydrophobicContact CE1-CD1 4.47Å; F77-L81 HydrophobicContact CE1-CD2 4.12Å; F77-L81 HydrophobicContact CE1-CG 4.29Å; F77-L81 HydrophobicContact CE2-CD2 4.13Å; F77-L81 HydrophobicContact CZ-CD2 3.54Å; F77-L81 HydrophobicContact CZ-CG 4.12Å; L78-L81 HydrophobicContact CD2-CD1 3.61Å; L78-L81 WeakPolarHBondContact O-CB 3.34Å; L78-L81 PolarHBondContact O-N 3.08Å; L81-L83 PolarHBondContact O-N 3.34Å; L81-W84 PolarHBondContact O-N 3.47Å; L81-W84 VanDerWaalsContact O-N 3.17Å; L81-A85 WeakPolarHBondContact O-CB 3.37Å; L81-A85 PolarHBondContact O-N 2.87Å; L81-Y320 HydrophobicContact CD2-CD2 3.6Å; L81-Y320 HydrophobicContact CD2-CE2 4.25Å; L81-Y320 HydrophobicContact CD2-CG 4.23Å
82P98Very high95.7Very high44 Ų4432.3 Ų32.329%0.28619%0.189SC..Hα-helixtrans-57.3-36.1174-27.737000113.3F37 T80 A85 T86F37-P82 HydrophobicContact CB-CG 4.45Å; F37-P82 HydrophobicContact CD1-CG 4.08Å; F37-P82 HydrophobicContact CD2-CG 3.99Å; F37-P82 HydrophobicContact CE1-CG 4.32Å; F37-P82 HydrophobicContact CE2-CG 4.23Å; F37-P82 HydrophobicContact CG-CG 3.9Å; F37-P82 HydrophobicContact CZ-CG 4.39Å; T80-P82 VanDerWaalsContact C-CD 3.44Å; T80-P82 VanDerWaalsContact C-N 3.35Å; P82-A85 WeakPolarHBondContact O-CB 3.4Å; P82-A85 PolarHBondContact O-N 2.79Å; P82-T86 PolarHBondContact O-N 2.89Å; P82-T86 PolarHBondContact O-OG1 3.01Å
83L97.8Very high95.5Very high31 Ų3131.4 Ų31.416%0.16218%0.183CC..Hα-helixtrans-65.4-44176.6-55173.5000111T80 L81 A85 T86 Y87 W94 F96 L100T80-L83 VanDerWaalsContact O-CB 3.31Å; T80-L83 WeakPolarHBondContact O-CB 3.08Å; T80-L83 PolarHBondContact O-N 3.02Å; L81-L83 PolarHBondContact O-N 3.34Å; L83-A85 VanDerWaalsContact C-N 3.33Å; L83-T86 WeakPolarHBondContact CA-OG1 3.48Å; L83-T86 PolarHBondContact O-N 3.5Å; L83-T86 PolarHBondContact O-OG1 3.1Å; L83-Y87 VanDerWaalsContact O-CB 3.3Å; L83-Y87 WeakPolarHBondContact O-CB 3.3Å; L83-Y87 PolarHBondContact O-N 2.93Å; L83-W94 HydrophobicContact CB-CH2 3.8Å; L83-W94 HydrophobicContact CB-CZ3 4.29Å; L83-W94 HydrophobicContact CD1-CH2 4.34Å; L83-F96 HydrophobicContact CB-CD2 4.36Å; L83-F96 HydrophobicContact CB-CE2 4.26Å; L83-F96 HydrophobicContact CD2-CD1 3.78Å; L83-F96 HydrophobicContact CD2-CD2 3.93Å; L83-F96 HydrophobicContact CD2-CE1 3.84Å; L83-F96 HydrophobicContact CD2-CE2 3.99Å; L83-F96 HydrophobicContact CD2-CG 3.84Å; L83-F96 HydrophobicContact CD2-CZ 3.95Å; L83-L100 HydrophobicContact CD1-CD2 4.3Å
84W96.8Very high95.4Very high16 Ų1631.3 Ų31.36%0.06118%0.182CC..Hα-helixtrans-67.2-34.2175.5-63.1111.9000112.2Y33 T80 L81 Y87 T88 W94 Y320Y33-W84 HydrophobicContact CD2-CB 4.07Å; Y33-W84 HydrophobicContact CE2-CB 4.04Å; T80-W84 VanDerWaalsContact O-CD1 3.3Å; T80-W84 PolarHBondContact O-N 3.27Å; L81-W84 PolarHBondContact O-N 3.47Å; L81-W84 VanDerWaalsContact O-N 3.17Å; W84-Y87 AromaticContact CE3-CD1 3.97Å; W84-Y87 HydrophobicContact CE3-CD1 3.97Å; W84-Y87 HydrophobicContact CE3-CE1 4.46Å; W84-Y87 HydrophobicContact CZ3-CD1 4.26Å; W84-Y87 HydrophobicContact CZ3-CE1 4.36Å; W84-Y87 PolarHBondContact O-N 2.85Å; W84-T88 PolarHBondContact O-N 2.86Å; W84-T88 PolarHBondContact O-OG1 3.34Å; W84-T88 VanDerWaalsContact O-OG1 3.08Å; W84-W94 HydrophobicContact CE3-CZ3 4.19Å; W84-W94 HydrophobicContact CZ3-CZ3 4.17Å; W84-Y320 HydrophobicContact CG-CE2 4.38Å
85A97Very high95.2Very high5 Ų534.2 Ų34.24%0.04120%0.201CC..Hα-helixtrans-64.4-47.517600000111.2P30 Y33 V34 L81 P82 L83 T88 A89P30-A85 HydrophobicContact CB-CB 4.16Å; P30-A85 WeakPolarHBondContact CB-O 3.25Å; P30-A85 WeakPolarHBondContact CG-O 3.36Å; Y33-A85 HydrophobicContact CD2-CB 4.22Å; V34-A85 HydrophobicContact CG2-CB 4.11Å; L81-A85 WeakPolarHBondContact O-CB 3.37Å; L81-A85 PolarHBondContact O-N 2.87Å; P82-A85 WeakPolarHBondContact O-CB 3.4Å; P82-A85 PolarHBondContact O-N 2.79Å; L83-A85 VanDerWaalsContact C-N 3.33Å; A85-T88 PolarHBondContact O-N 2.91Å; A85-A89 VanDerWaalsContact O-CB 3.23Å; A85-A89 WeakPolarHBondContact O-CB 3.49Å; A85-A89 PolarHBondContact O-N 3.06Å
86T96.3Very high95.2Very high49 Ų4936.3 Ų36.330%0.30121%0.209SC..Hα-helixtrans-64.5-41.217542.20000112.3P82 L83 T88 A89 M90 F96P82-T86 PolarHBondContact O-N 2.89Å; P82-T86 PolarHBondContact O-OG1 3.01Å; L83-T86 WeakPolarHBondContact CA-OG1 3.48Å; L83-T86 PolarHBondContact O-N 3.5Å; L83-T86 PolarHBondContact O-OG1 3.1Å; T86-T88 PolarHBondContact O-N 3.44Å; T86-A89 PolarHBondContact O-N 3.28Å; T86-M90 WeakPolarHBondContact O-CB 3.49Å; T86-M90 WeakPolarHBondContact O-CG 3.27Å; T86-M90 PolarHBondContact O-N 3.33Å; T86-F96 HydrophobicContact CG2-CZ 4.18Å; T86-F96 WeakPolarHBondContact OG1-CE2 3.36Å; T86-F96 WeakPolarHBondContact OG1-CZ 3.32Å
87Y94.6Very high95.1Very high28 Ų2836 Ų3611%0.1121%0.213CC..Hα-helixtrans-57.7-50.1176.2172.1-110.5000111.2L83 W84 M90 Y92 H93 W94 S191L83-Y87 VanDerWaalsContact O-CB 3.3Å; L83-Y87 WeakPolarHBondContact O-CB 3.3Å; L83-Y87 PolarHBondContact O-N 2.93Å; W84-Y87 AromaticContact CE3-CD1 3.97Å; W84-Y87 HydrophobicContact CE3-CD1 3.97Å; W84-Y87 HydrophobicContact CE3-CE1 4.46Å; W84-Y87 HydrophobicContact CZ3-CD1 4.26Å; W84-Y87 HydrophobicContact CZ3-CE1 4.36Å; W84-Y87 PolarHBondContact O-N 2.85Å; Y87-M90 PolarHBondContact O-N 3.23Å; Y87-Y92 HydrophobicContact CD1-CD1 4.08Å; Y87-Y92 AromaticContact CE1-CD1 3.45Å; Y87-Y92 HydrophobicContact CE1-CD1 3.45Å; Y87-Y92 VanDerWaalsContact CE1-CD1 3.45Å; Y87-Y92 HydrophobicContact CE1-CE1 4.28Å; Y87-Y92 HydrophobicContact CE1-CG 4.34Å; Y87-Y92 WeakPolarHBondContact CE2-O 3.4Å; Y87-Y92 AromaticContact CZ-CD1 3.77Å; Y87-Y92 WeakPolarHBondContact O-CA 3.4Å; Y87-Y92 PolarHBondContact O-N 2.92Å; Y87-H93 WeakPolarHBondContact CA-O 3.45Å; Y87-H93 WeakPolarHBondContact CD2-O 3.28Å; Y87-W94 HydrophobicContact CD2-CB 3.97Å; Y87-W94 AromaticContact CD2-CE3 3.7Å; Y87-W94 HydrophobicContact CD2-CE3 3.7Å; Y87-W94 HydrophobicContact CE2-CB 4.2Å; Y87-W94 HydrophobicContact CE2-CE3 4.41Å; Y87-W94 AromaticContact CG-CE3 3.92Å; Y87-W94 HydrophobicContact CG-CE3 3.92Å; Y87-W94 HydrophobicContact CG-CZ3 4.42Å; Y87-S191 PolarHBondContact OH-OG 3.29Å
88T92.6Very high94.9Very high8 Ų840.6 Ų40.65%0.04923%0.234CC..Hα-helixtrans-67-39.7176.6-55.60000111.9F26 I29 P30 W84 A85 T86 M90 G91F26-T88 VanDerWaalsContact CD1-O 3.23Å; F26-T88 WeakPolarHBondContact CD1-O 3.41Å; I29-T88 HydrophobicContact CB-CG2 4.25Å; I29-T88 HydrophobicContact CG2-CG2 4.14Å; P30-T88 HydrophobicContact CG-CG2 4.04Å; W84-T88 PolarHBondContact O-N 2.86Å; W84-T88 PolarHBondContact O-OG1 3.34Å; W84-T88 VanDerWaalsContact O-OG1 3.08Å; A85-T88 PolarHBondContact O-N 2.91Å; T86-T88 PolarHBondContact O-N 3.44Å; T88-M90 VanDerWaalsContact C-N 3.29Å; T88-M90 PolarHBondContact O-N 2.98Å; T88-G91 PolarHBondContact O-N 2.89Å
89A93Very high94.8Very high51 Ų5144.6 Ų44.642%0.42126%0.26SS..Hα-helixtrans-65.8-30.4-179.200000113.3P30 A85 T86 G91P30-A89 HydrophobicContact CB-CB 4.13Å; P30-A89 HydrophobicContact CG-CB 3.81Å; A85-A89 VanDerWaalsContact O-CB 3.23Å; A85-A89 WeakPolarHBondContact O-CB 3.49Å; A85-A89 PolarHBondContact O-N 3.06Å; T86-A89 PolarHBondContact O-N 3.28Å; A89-G91 VanDerWaalsContact C-N 3.27Å; A89-G91 PolarHBondContact O-N 2.93Å
90M90.5Very high94.8Very high107 Ų10744 Ų4453%0.52725%0.254SS..THydrogen-bonded Turntrans-90.825.1178.3-63.9-177.9170.800112.9T86 Y87 T88 Y92 H93 P95T86-M90 WeakPolarHBondContact O-CB 3.49Å; T86-M90 WeakPolarHBondContact O-CG 3.27Å; T86-M90 PolarHBondContact O-N 3.33Å; Y87-M90 PolarHBondContact O-N 3.23Å; T88-M90 VanDerWaalsContact C-N 3.29Å; T88-M90 PolarHBondContact O-N 2.98Å; M90-Y92 PolarHBondContact O-N 2.89Å; M90-H93 HydrophobicContact CB-CB 3.89Å; M90-H93 VanDerWaalsContact O-CB 3.32Å; M90-H93 WeakPolarHBondContact O-CB 3.4Å; M90-H93 PolarHBondContact O-N 2.83Å; M90-P95 HydrophobicContact SD-CG 4.02Å
91G88.1Confident94.7Very high36 Ų3643.8 Ų43.837%0.37125%0.252SS..THydrogen-bonded Turntrans66.237.8178.500000113.5T88 A89 H93T88-G91 PolarHBondContact O-N 2.89Å; A89-G91 VanDerWaalsContact C-N 3.27Å; A89-G91 PolarHBondContact O-N 2.93Å; G91-H93 VanDerWaalsContact C-N 3.32Å
92Y89.9Confident94.7Very high71 Ų7146 Ų4628%0.27826%0.263SS..THydrogen-bonded Turntrans68.126.5-176.1-53.7-84.6000114.3P24 F26 Y87 M90P24-Y92 HydrophobicContact CG-CE2 3.8Å; F26-Y92 HydrophobicContact CE1-CD2 4.13Å; F26-Y92 AromaticContact CE1-CE2 3.83Å; F26-Y92 HydrophobicContact CE1-CE2 3.83Å; Y87-Y92 HydrophobicContact CD1-CD1 4.08Å; Y87-Y92 AromaticContact CE1-CD1 3.45Å; Y87-Y92 HydrophobicContact CE1-CD1 3.45Å; Y87-Y92 VanDerWaalsContact CE1-CD1 3.45Å; Y87-Y92 HydrophobicContact CE1-CE1 4.28Å; Y87-Y92 HydrophobicContact CE1-CG 4.34Å; Y87-Y92 WeakPolarHBondContact CE2-O 3.4Å; Y87-Y92 AromaticContact CZ-CD1 3.77Å; Y87-Y92 WeakPolarHBondContact O-CA 3.4Å; Y87-Y92 PolarHBondContact O-N 2.92Å; M90-Y92 PolarHBondContact O-N 2.89Å
93H91.6Very high94.7Very high53 Ų5347.9 Ų47.925%0.24527%0.27CS..  trans-84.8132.6167.9-176.665.9000112.2Y87 M90 G91 P95 V189 L190Y87-H93 WeakPolarHBondContact CA-O 3.45Å; Y87-H93 WeakPolarHBondContact CD2-O 3.28Å; M90-H93 HydrophobicContact CB-CB 3.89Å; M90-H93 VanDerWaalsContact O-CB 3.32Å; M90-H93 WeakPolarHBondContact O-CB 3.4Å; M90-H93 PolarHBondContact O-N 2.83Å; G91-H93 VanDerWaalsContact C-N 3.32Å; H93-P95 VanDerWaalsContact O-CD 3.25Å; H93-P95 WeakPolarHBondContact O-CD 3.36Å; H93-V189 HydrophobicContact CB-CG1 3.77Å; H93-L190 CarbonylContact C-O 3.57Å; H93-L190 WeakPolarHBondContact CA-O 3.28Å; H93-L190 PolarHBondContact ND1-N 3.24Å; H93-L190 PolarHBondContact ND1-O 3.16Å
94W94.9Very high94.6Very high1 Ų146.5 Ų46.50%0.00426%0.263CS..  trans-109.395.4-178.6-173.1-89.2000112.3L83 W84 Y87 F96 G97 L100 C101 S104 V172 L190 C192L83-W94 HydrophobicContact CB-CH2 3.8Å; L83-W94 HydrophobicContact CB-CZ3 4.29Å; L83-W94 HydrophobicContact CD1-CH2 4.34Å; W84-W94 HydrophobicContact CE3-CZ3 4.19Å; W84-W94 HydrophobicContact CZ3-CZ3 4.17Å; Y87-W94 HydrophobicContact CD2-CB 3.97Å; Y87-W94 AromaticContact CD2-CE3 3.7Å; Y87-W94 HydrophobicContact CD2-CE3 3.7Å; Y87-W94 HydrophobicContact CE2-CB 4.2Å; Y87-W94 HydrophobicContact CE2-CE3 4.41Å; Y87-W94 AromaticContact CG-CE3 3.92Å; Y87-W94 HydrophobicContact CG-CE3 3.92Å; Y87-W94 HydrophobicContact CG-CZ3 4.42Å; W94-F96 HydrophobicContact CD2-CD2 4.06Å; W94-F96 AromaticContact CE2-CD2 3.84Å; W94-F96 HydrophobicContact CE3-CD2 4.3Å; W94-F96 HydrophobicContact CH2-CD2 4.14Å; W94-F96 HydrophobicContact CZ2-CB 3.9Å; W94-F96 AromaticContact CZ2-CD2 3.85Å; W94-F96 HydrophobicContact CZ2-CD2 3.85Å; W94-F96 HydrophobicContact CZ2-CG 4.3Å; W94-F96 HydrophobicContact CZ3-CD2 4.35Å; W94-G97 PolarHBondContact NE1-O 3.26Å; W94-L100 VanDerWaalsContact CZ2-C 3.44Å; W94-L100 HydrophobicContact CZ2-CB 3.99Å; W94-C101 HydrophobicContact CD2-CB 4.34Å; W94-C101 VanDerWaalsContact CZ2-CA 3.43Å; W94-C101 HydrophobicContact CZ2-CB 4.02Å; W94-C101 VanDerWaalsContact CZ2-N 3.27Å; W94-S104 WeakPolarHBondContact CH2-OG 3.4Å; W94-V172 HydrophobicContact CG-CG2 4.45Å; W94-L190 PolarHBondContact N-O 2.65Å; W94-C192 HydrophobicContact CB-CB 4.19Å; W94-C192 HydrophobicContact CD2-CB 3.81Å; W94-C192 HydrophobicContact CE3-CB 3.9Å; W94-C192 HydrophobicContact CG-CB 3.91Å
95P94.8Very high94.6Very high61 Ų6146.2 Ų46.240%0.39626%0.263SS..THydrogen-bonded Turntrans-86.8-2.2-176.434.6-38.3000114.5M90 H93 G97M90-P95 HydrophobicContact SD-CG 4.02Å; H93-P95 VanDerWaalsContact O-CD 3.25Å; H93-P95 WeakPolarHBondContact O-CD 3.36Å; P95-G97 PolarHBondContact O-N 2.8Å
96F96.1Very high94.6Very high66 Ų6647.8 Ų47.829%0.28927%0.269SS..THydrogen-bonded Turntrans-90.21.1-168.1-54.3-70.7000114.8L83 T86 W94 L100L83-F96 HydrophobicContact CB-CD2 4.36Å; L83-F96 HydrophobicContact CB-CE2 4.26Å; L83-F96 HydrophobicContact CD2-CD1 3.78Å; L83-F96 HydrophobicContact CD2-CD2 3.93Å; L83-F96 HydrophobicContact CD2-CE1 3.84Å; L83-F96 HydrophobicContact CD2-CE2 3.99Å; L83-F96 HydrophobicContact CD2-CG 3.84Å; L83-F96 HydrophobicContact CD2-CZ 3.95Å; T86-F96 HydrophobicContact CG2-CZ 4.18Å; T86-F96 WeakPolarHBondContact OG1-CE2 3.36Å; T86-F96 WeakPolarHBondContact OG1-CZ 3.32Å; W94-F96 HydrophobicContact CD2-CD2 4.06Å; W94-F96 AromaticContact CE2-CD2 3.84Å; W94-F96 HydrophobicContact CE3-CD2 4.3Å; W94-F96 HydrophobicContact CH2-CD2 4.14Å; W94-F96 HydrophobicContact CZ2-CB 3.9Å; W94-F96 AromaticContact CZ2-CD2 3.85Å; W94-F96 HydrophobicContact CZ2-CD2 3.85Å; W94-F96 HydrophobicContact CZ2-CG 4.3Å; W94-F96 HydrophobicContact CZ3-CD2 4.35Å; F96-L100 HydrophobicContact CB-CB 3.87Å; F96-L100 HydrophobicContact CB-CD1 3.73Å; F96-L100 HydrophobicContact CB-CG 4.44Å; F96-L100 HydrophobicContact CG-CD1 4.49Å
97G95Very high94.6Very high35 Ų3547 Ų4736%0.36126%0.263SS..Hα-helixtrans73.2176.1-176.400000114.3W94 P95 C101W94-G97 PolarHBondContact NE1-O 3.26Å; P95-G97 PolarHBondContact O-N 2.8Å; G97-C101 PolarHBondContact O-N 3.28Å
98Q95.3Very high94.7Very high99 Ų9946.6 Ų46.646%0.46326%0.263SS..Hα-helixtrans-65.7-44-170.2-174.7168-3.100115.2L100 C101 Q102 V172Q98-L100 VanDerWaalsContact C-N 3.31Å; Q98-L100 PolarHBondContact O-N 3.33Å; Q98-C101 WeakPolarHBondContact O-CB 3.41Å; Q98-C101 PolarHBondContact O-N 3.33Å; Q98-Q102 HydrophobicContact CG-CG 4.48Å; Q98-Q102 PolarHBondContact O-N 3.42Å; Q98-Q102 VanDerWaalsContact O-N 3.08Å; Q98-V172 HydrophobicContact CB-CG2 4.39Å
99P96.4Very high94.8Very high84 Ų8447.3 Ų47.355%0.54527%0.27SS..Hα-helixtrans-60.2-40.6-177.9-2535000112.9Q102 I103P99-Q102 PolarHBondContact O-N 3.24Å; P99-I103 WeakPolarHBondContact O-CB 3.32Å; P99-I103 VanDerWaalsContact O-CG1 3.27Å; P99-I103 WeakPolarHBondContact O-CG1 3.43Å; P99-I103 PolarHBondContact O-N 3.16Å
100L96.5Very high95Very high74 Ų7445.6 Ų45.639%0.38725%0.253SS..Hα-helixtrans-71.7-33.7179.6-74.4173000112L83 W94 F96 Q98 Q102 S104L83-L100 HydrophobicContact CD1-CD2 4.3Å; W94-L100 VanDerWaalsContact CZ2-C 3.44Å; W94-L100 HydrophobicContact CZ2-CB 3.99Å; F96-L100 HydrophobicContact CB-CB 3.87Å; F96-L100 HydrophobicContact CB-CD1 3.73Å; F96-L100 HydrophobicContact CB-CG 4.44Å; F96-L100 HydrophobicContact CG-CD1 4.49Å; Q98-L100 VanDerWaalsContact C-N 3.31Å; Q98-L100 PolarHBondContact O-N 3.33Å; L100-Q102 VanDerWaalsContact C-N 3.34Å; L100-S104 WeakPolarHBondContact O-CB 3.23Å; L100-S104 PolarHBondContact O-N 3.31Å; L100-S104 PolarHBondContact O-OG 2.75Å
101C96.8Very high95.2Very high0 Ų040.7 Ų40.70%023%0.229CC..Hα-helixtrans-60.6-45.4172.4165.20000110.8W94 G97 Q98 S104 S105 V172 C192W94-C101 HydrophobicContact CD2-CB 4.34Å; W94-C101 VanDerWaalsContact CZ2-CA 3.43Å; W94-C101 HydrophobicContact CZ2-CB 4.02Å; W94-C101 VanDerWaalsContact CZ2-N 3.27Å; G97-C101 PolarHBondContact O-N 3.28Å; Q98-C101 WeakPolarHBondContact O-CB 3.41Å; Q98-C101 PolarHBondContact O-N 3.33Å; C101-S104 PolarHBondContact O-OG 2.98Å; C101-S105 WeakPolarHBondContact O-CB 3.43Å; C101-S105 PolarHBondContact O-N 3.21Å; C101-S105 VanDerWaalsContact O-N 3.15Å; C101-S105 PolarHBondContact O-OG 3.42Å; C101-V172 HydrophobicContact CB-CG2 3.9Å; C101-C192 HydrophobicContact CB-CB 3.85Å; C101-C192 WeakPolarHBondContact CB-SG 3.44Å; C101-C192 WeakPolarHBondContact SG-CB 3.44Å; C101-C192 CovalentContact SG-SG 2.03Å; C101-C192 PolarHBondContact SG-SG 3.03Å
102Q96.8Very high95.5Very high48 Ų4839.5 Ų39.522%0.22421%0.214CC..Hα-helixtrans-67.4-51.5179.4-72.1178.8-26.600112.5Q98 P99 L100 S105 F106 L167 R170Q98-Q102 HydrophobicContact CG-CG 4.48Å; Q98-Q102 PolarHBondContact O-N 3.42Å; Q98-Q102 VanDerWaalsContact O-N 3.08Å; P99-Q102 PolarHBondContact O-N 3.24Å; L100-Q102 VanDerWaalsContact C-N 3.34Å; Q102-S105 PolarHBondContact O-N 3.39Å; Q102-F106 VanDerWaalsContact O-CB 3.3Å; Q102-F106 WeakPolarHBondContact O-CB 3.24Å; Q102-F106 PolarHBondContact O-N 2.9Å; Q102-L167 HydrophobicContact CB-CD1 4.05Å; Q102-L167 WeakPolarHBondContact CG-O 3.19Å; Q102-R170 HydrophobicContact CG-CB 4.31Å; Q102-R170 WeakPolarHBondContact CG-O 3.17Å; Q102-R170 PolarHBondContact NE2-O 2.77Å
103I97Very high95.8Very high83 Ų8336.4 Ų36.443%0.42620%0.202SC..Hα-helixtrans-65-45.9-177.5-67.8167000110.7P99 S105 F106 L107P99-I103 WeakPolarHBondContact O-CB 3.32Å; P99-I103 VanDerWaalsContact O-CG1 3.27Å; P99-I103 WeakPolarHBondContact O-CG1 3.43Å; P99-I103 PolarHBondContact O-N 3.16Å; I103-S105 PolarHBondContact O-N 3.31Å; I103-F106 PolarHBondContact O-N 3.03Å; I103-L107 HydrophobicContact CG2-CD1 3.81Å; I103-L107 HydrophobicContact CG2-CG 4.27Å; I103-L107 WeakPolarHBondContact O-CB 3.24Å; I103-L107 VanDerWaalsContact O-CG 3.28Å; I103-L107 WeakPolarHBondContact O-CG 3.16Å; I103-L107 PolarHBondContact O-N 3.4Å
104S96.8Very high96Very high2 Ų233.9 Ų33.91%0.01419%0.191CC..Hα-helixtrans-63.1-42179.561.30000112W94 L100 C101 L107 T108W94-S104 WeakPolarHBondContact CH2-OG 3.4Å; L100-S104 WeakPolarHBondContact O-CB 3.23Å; L100-S104 PolarHBondContact O-N 3.31Å; L100-S104 PolarHBondContact O-OG 2.75Å; C101-S104 PolarHBondContact O-OG 2.98Å; S104-L107 PolarHBondContact O-N 2.96Å; S104-T108 PolarHBondContact O-N 3.33Å; S104-T108 PolarHBondContact O-OG1 3.18Å
105S96.3Very high96Very high9 Ų933.9 Ų33.96%0.06319%0.19CC..Hα-helixtrans-65.5-41.2176.5-63.10000112.5C101 Q102 I103 T108 A109C101-S105 WeakPolarHBondContact O-CB 3.43Å; C101-S105 PolarHBondContact O-N 3.21Å; C101-S105 VanDerWaalsContact O-N 3.15Å; C101-S105 PolarHBondContact O-OG 3.42Å; Q102-S105 PolarHBondContact O-N 3.39Å; I103-S105 PolarHBondContact O-N 3.31Å; S105-T108 PolarHBondContact O-N 2.88Å; S105-A109 PolarHBondContact O-N 2.96Å; S105-A109 VanDerWaalsContact O-N 3.08Å
106F97.1Very high95.9Very high39 Ų3931 Ų3117%0.17117%0.172CC..Hα-helixtrans-59.9-47.7173.2172.1-102000111.6Q102 I103 T108 A109 L110 A160 A163 L167Q102-F106 VanDerWaalsContact O-CB 3.3Å; Q102-F106 WeakPolarHBondContact O-CB 3.24Å; Q102-F106 PolarHBondContact O-N 2.9Å; I103-F106 PolarHBondContact O-N 3.03Å; F106-T108 VanDerWaalsContact C-N 3.33Å; F106-T108 PolarHBondContact O-N 2.93Å; F106-A109 PolarHBondContact O-N 2.88Å; F106-L110 HydrophobicContact CE1-CB 4.44Å; F106-L110 HydrophobicContact CE1-CD2 3.88Å; F106-L110 HydrophobicContact CZ-CB 4.49Å; F106-L110 HydrophobicContact CZ-CD1 4.46Å; F106-L110 HydrophobicContact CZ-CD2 4.21Å; F106-L110 VanDerWaalsContact O-CB 3.24Å; F106-L110 WeakPolarHBondContact O-CB 3.25Å; F106-L110 PolarHBondContact O-N 2.87Å; F106-A160 HydrophobicContact CZ-CB 4.27Å; F106-A163 HydrophobicContact CD2-CB 3.83Å; F106-A163 HydrophobicContact CE2-CB 3.69Å; F106-L167 HydrophobicContact CB-CB 3.98Å; F106-L167 HydrophobicContact CB-CD1 3.92Å; F106-L167 HydrophobicContact CD2-CB 3.91Å; F106-L167 HydrophobicContact CG-CB 4.19Å; F106-L167 HydrophobicContact CG-CD1 4.29Å
107L97.5Very high95.8Very high33 Ų3329.5 Ų29.517%0.17317%0.165CC..Hα-helixtrans-64.5-35.9-179.9-70.7175.2000112.3C76 T80 I103 S104 L110 N111C76-L107 HydrophobicContact CB-CD2 4.24Å; T80-L107 HydrophobicContact CG2-CB 4.06Å; T80-L107 HydrophobicContact CG2-CD1 3.62Å; T80-L107 HydrophobicContact CG2-CG 4.48Å; I103-L107 HydrophobicContact CG2-CD1 3.81Å; I103-L107 HydrophobicContact CG2-CG 4.27Å; I103-L107 WeakPolarHBondContact O-CB 3.24Å; I103-L107 VanDerWaalsContact O-CG 3.28Å; I103-L107 WeakPolarHBondContact O-CG 3.16Å; I103-L107 PolarHBondContact O-N 3.4Å; S104-L107 PolarHBondContact O-N 2.96Å; L107-L110 HydrophobicContact CD2-CD2 4.09Å; L107-N111 VanDerWaalsContact O-CB 3.29Å; L107-N111 WeakPolarHBondContact O-CB 3.35Å; L107-N111 PolarHBondContact O-N 3.46Å
108T95.2Very high95.7Very high18 Ų1827.9 Ų27.911%0.1115%0.149CC..Hα-helixtrans-60.5-49.2171.2-61.70000111.7F77 S104 S105 F106 N111 M112 Y320F77-T108 HydrophobicContact CD2-CG2 4.41Å; F77-T108 HydrophobicContact CE2-CG2 4.05Å; F77-T108 WeakPolarHBondContact CE2-OG1 3.48Å; S104-T108 PolarHBondContact O-N 3.33Å; S104-T108 PolarHBondContact O-OG1 3.18Å; S105-T108 PolarHBondContact O-N 2.88Å; F106-T108 VanDerWaalsContact C-N 3.33Å; F106-T108 PolarHBondContact O-N 2.93Å; T108-N111 PolarHBondContact O-N 3.47Å; T108-M112 PolarHBondContact O-N 2.7Å; T108-Y320 HydrophobicContact CG2-CE1 3.65Å
109A95.1Very high95.5Very high24 Ų2423.4 Ų23.420%0.19813%0.128CC..Hα-helixtrans-67.5-40.5178.800000112.2S105 F106 N111 M112 Y113 A163S105-A109 PolarHBondContact O-N 2.96Å; S105-A109 VanDerWaalsContact O-N 3.08Å; F106-A109 PolarHBondContact O-N 2.88Å; A109-N111 VanDerWaalsContact C-N 3.35Å; A109-N111 PolarHBondContact O-N 2.96Å; A109-M112 WeakPolarHBondContact O-CB 3.17Å; A109-M112 PolarHBondContact O-N 3.45Å; A109-Y113 WeakPolarHBondContact O-CD2 3.45Å; A109-Y113 PolarHBondContact O-N 3.44Å; A109-A163 HydrophobicContact CB-CB 3.78Å
110L96.7Very high95.3Very high14 Ų1419.9 Ų19.97%0.07311%0.105CC..Hα-helixtrans-59.6-46.2176.3179.167.4000110.6F106 L107 M112 Y113 A114 W156 A159 A160 A163F106-L110 HydrophobicContact CE1-CB 4.44Å; F106-L110 HydrophobicContact CE1-CD2 3.88Å; F106-L110 HydrophobicContact CZ-CB 4.49Å; F106-L110 HydrophobicContact CZ-CD1 4.46Å; F106-L110 HydrophobicContact CZ-CD2 4.21Å; F106-L110 VanDerWaalsContact O-CB 3.24Å; F106-L110 WeakPolarHBondContact O-CB 3.25Å; F106-L110 PolarHBondContact O-N 2.87Å; L107-L110 HydrophobicContact CD2-CD2 4.09Å; L110-M112 PolarHBondContact O-N 2.9Å; L110-Y113 PolarHBondContact O-N 3.46Å; L110-A114 WeakPolarHBondContact O-CB 3.43Å; L110-A114 PolarHBondContact O-N 2.92Å; L110-W156 HydrophobicContact CD1-CE3 4.41Å; L110-W156 HydrophobicContact CD2-CE3 4.46Å; L110-W156 HydrophobicContact CD2-CZ3 3.99Å; L110-W156 HydrophobicContact CG-CZ3 4.35Å; L110-A159 HydrophobicContact CD1-CB 3.9Å; L110-A160 HydrophobicContact CD1-CB 4.05Å; L110-A163 HydrophobicContact CB-CB 4.09Å
111N96Very high95Very high4 Ų419 Ų192%0.02110%0.099CC..Hα-helixtrans-59.7-45.5176.9174.644.6000112D74 F77 L107 T108 A109 Y113 S115 S323D74-N111 PolarHBondContact OD1-OD1 3.22Å; F77-N111 HydrophobicContact CB-CB 3.54Å; F77-N111 VanDerWaalsContact CD1-ND2 3.33Å; F77-N111 WeakPolarHBondContact CD1-ND2 3.44Å; F77-N111 HydrophobicContact CG-CB 4.07Å; F77-N111 WeakPolarHBondContact CG-ND2 3.37Å; L107-N111 VanDerWaalsContact O-CB 3.29Å; L107-N111 WeakPolarHBondContact O-CB 3.35Å; L107-N111 PolarHBondContact O-N 3.46Å; T108-N111 PolarHBondContact O-N 3.47Å; A109-N111 VanDerWaalsContact C-N 3.35Å; A109-N111 PolarHBondContact O-N 2.96Å; N111-Y113 PolarHBondContact O-N 3.47Å; N111-S115 WeakPolarHBondContact O-CB 3.41Å; N111-S115 PolarHBondContact O-N 3.47Å; N111-S115 PolarHBondContact O-OG 2.84Å; N111-S115 PolarHBondContact OD1-OG 3.28Å; N111-S323 PolarHBondContact ND2-OG 3.47Å
112M94.1Very high94.6Very high11 Ų1119.1 Ų19.15%0.05410%0.1CC..Hα-helixtrans-53.8-52.4176.8-171.4-172.176.400111.6T108 A109 L110 V116 S224 W280T108-M112 PolarHBondContact O-N 2.7Å; A109-M112 WeakPolarHBondContact O-CB 3.17Å; A109-M112 PolarHBondContact O-N 3.45Å; L110-M112 PolarHBondContact O-N 2.9Å; M112-V116 WeakPolarHBondContact O-CB 3.31Å; M112-V116 WeakPolarHBondContact O-CG1 3.35Å; M112-V116 PolarHBondContact O-N 3.49Å; M112-V116 VanDerWaalsContact O-N 3.17Å; M112-S224 WeakPolarHBondContact CE-OG 3.3Å; M112-W280 HydrophobicContact CB-CH2 3.49Å; M112-W280 VanDerWaalsContact CB-CH2 3.49Å; M112-W280 HydrophobicContact CB-CZ2 3.91Å; M112-W280 HydrophobicContact CB-CZ3 4.01Å; M112-W280 HydrophobicContact CG-CD2 4.31Å; M112-W280 HydrophobicContact CG-CE3 3.91Å; M112-W280 HydrophobicContact CG-CH2 3.43Å; M112-W280 VanDerWaalsContact CG-CH2 3.43Å; M112-W280 HydrophobicContact CG-CZ2 3.84Å; M112-W280 HydrophobicContact CG-CZ3 3.46Å; M112-W280 VanDerWaalsContact CG-CZ3 3.46Å; M112-W280 HydrophobicContact SD-CE3 3.93Å; M112-W280 HydrophobicContact SD-CH2 3.99Å; M112-W280 HydrophobicContact SD-CZ3 3.45Å; M112-W280 WeakPolarHBondContact SD-CZ3 3.48Å
113Y95.8Very high94.1Very high7 Ų717 Ų173%0.0279%0.09CC..Hα-helixtrans-71.7-45.7-177.7-67.6-57.1000112.9A109 L110 N111 S115 V116 F117 L162 A163 K223 S224 I227A109-Y113 WeakPolarHBondContact O-CD2 3.45Å; A109-Y113 PolarHBondContact O-N 3.44Å; L110-Y113 PolarHBondContact O-N 3.46Å; N111-Y113 PolarHBondContact O-N 3.47Å; Y113-S115 VanDerWaalsContact C-N 3.32Å; Y113-S115 PolarHBondContact O-N 3.4Å; Y113-V116 WeakPolarHBondContact O-CG1 3.29Å; Y113-V116 PolarHBondContact O-N 3.32Å; Y113-F117 HydrophobicContact CD1-CE2 4.46Å; Y113-F117 HydrophobicContact CD1-CZ 4.22Å; Y113-F117 WeakPolarHBondContact O-CB 3.49Å; Y113-F117 WeakPolarHBondContact O-CD2 3.33Å; Y113-F117 WeakPolarHBondContact O-CG 3.22Å; Y113-F117 PolarHBondContact O-N 3.26Å; Y113-L162 HydrophobicContact CD1-CB 4.35Å; Y113-L162 HydrophobicContact CD1-CD1 4.09Å; Y113-L162 HydrophobicContact CD2-CB 3.64Å; Y113-L162 HydrophobicContact CE1-CB 4.38Å; Y113-L162 HydrophobicContact CE1-CD1 4.36Å; Y113-L162 HydrophobicContact CE2-CB 3.66Å; Y113-L162 WeakPolarHBondContact CE2-O 3.21Å; Y113-L162 HydrophobicContact CG-CB 4.02Å; Y113-L162 HydrophobicContact CG-CD1 4.31Å; Y113-A163 HydrophobicContact CD2-CB 4.41Å; Y113-K223 VanDerWaalsContact CZ-NZ 3.26Å; Y113-K223 WeakPolarHBondContact OH-CE 3.34Å; Y113-K223 PolarHBondContact OH-NZ 3.39Å; Y113-S224 WeakPolarHBondContact OH-CA 3.48Å; Y113-I227 HydrophobicContact CE1-CB 4.41Å; Y113-I227 HydrophobicContact CE1-CG2 4.23Å
114A95.8Very high93.6Very high0 Ų014.4 Ų14.40%08%0.078CC..Hα-helixtrans-62.7-41.1-179.600000111.4A73 L110 S118 A159A73-A114 HydrophobicContact CB-CB 3.89Å; L110-A114 WeakPolarHBondContact O-CB 3.43Å; L110-A114 PolarHBondContact O-N 2.92Å; A114-S118 VanDerWaalsContact O-CB 3.24Å; A114-S118 WeakPolarHBondContact O-CB 3.43Å; A114-S118 PolarHBondContact O-N 3.14Å; A114-S118 PolarHBondContact O-OG 3.5Å; A114-A159 HydrophobicContact CB-CB 4.02Å
115S94.3Very high92.9Very high0 Ų014.7 Ų14.70%08%0.08CC..Hα-helixtrans-64.5-49.2177.7-72.10000111.7L70 N111 Y113 F117 S118 L119L70-S115 VanDerWaalsContact CD1-OG 3.28Å; L70-S115 WeakPolarHBondContact CD1-OG 3.36Å; N111-S115 WeakPolarHBondContact O-CB 3.41Å; N111-S115 PolarHBondContact O-N 3.47Å; N111-S115 PolarHBondContact O-OG 2.84Å; N111-S115 PolarHBondContact OD1-OG 3.28Å; Y113-S115 VanDerWaalsContact C-N 3.32Å; Y113-S115 PolarHBondContact O-N 3.4Å; S115-F117 PolarHBondContact O-N 2.86Å; S115-S118 PolarHBondContact O-N 3.45Å; S115-L119 WeakPolarHBondContact O-CG 3.02Å; S115-L119 PolarHBondContact O-N 2.94Å
116V93.3Very high92.2Very high1 Ų115.2 Ų15.21%0.0068%0.08CC..Hα-helixtrans-68.5-37.6-177.1830000112.4M112 Y113 L119 S120 P232 F276M112-V116 WeakPolarHBondContact O-CB 3.31Å; M112-V116 WeakPolarHBondContact O-CG1 3.35Å; M112-V116 PolarHBondContact O-N 3.49Å; M112-V116 VanDerWaalsContact O-N 3.17Å; Y113-V116 WeakPolarHBondContact O-CG1 3.29Å; Y113-V116 PolarHBondContact O-N 3.32Å; V116-L119 PolarHBondContact O-N 3.42Å; V116-S120 WeakPolarHBondContact O-CB 3.41Å; V116-S120 PolarHBondContact O-N 3.36Å; V116-S120 PolarHBondContact O-OG 3.48Å; V116-P232 HydrophobicContact CB-CG 4.27Å; V116-P232 HydrophobicContact CG1-CG 3.87Å; V116-P232 HydrophobicContact CG2-CB 3.34Å; V116-P232 HydrophobicContact CG2-CG 3.37Å; V116-F276 HydrophobicContact CB-CE1 4.02Å; V116-F276 HydrophobicContact CB-CE2 3.96Å; V116-F276 HydrophobicContact CB-CZ 3.49Å; V116-F276 VanDerWaalsContact CB-CZ 3.49Å; V116-F276 HydrophobicContact CG2-CD1 4.17Å; V116-F276 HydrophobicContact CG2-CE1 3.43Å; V116-F276 VanDerWaalsContact CG2-CE1 3.43Å; V116-F276 HydrophobicContact CG2-CE2 4.22Å; V116-F276 HydrophobicContact CG2-CZ 3.47Å; V116-F276 VanDerWaalsContact CG2-CZ 3.47Å
117F93.8Very high91.4Very high34 Ų3415.3 Ų15.315%0.1498%0.08CC..Hα-helixtrans-69.1-36.8175.1-63.7-27.5000112.3Y113 S115 S120 M121 V155 V158 A159 L162 I227Y113-F117 HydrophobicContact CD1-CE2 4.46Å; Y113-F117 HydrophobicContact CD1-CZ 4.22Å; Y113-F117 WeakPolarHBondContact O-CB 3.49Å; Y113-F117 WeakPolarHBondContact O-CD2 3.33Å; Y113-F117 WeakPolarHBondContact O-CG 3.22Å; Y113-F117 PolarHBondContact O-N 3.26Å; S115-F117 PolarHBondContact O-N 2.86Å; F117-S120 PolarHBondContact O-N 2.85Å; F117-M121 WeakPolarHBondContact O-CB 3.24Å; F117-M121 PolarHBondContact O-N 3.42Å; F117-V155 HydrophobicContact CB-CG1 3.91Å; F117-V155 HydrophobicContact CB-CG2 4.35Å; F117-V158 HydrophobicContact CE2-CG1 3.8Å; F117-V158 HydrophobicContact CZ-CG1 4.28Å; F117-A159 HydrophobicContact CD2-CB 4.3Å; F117-A159 HydrophobicContact CE2-CB 4.43Å; F117-L162 HydrophobicContact CE2-CD1 3.72Å; F117-L162 HydrophobicContact CZ-CD1 3.55Å; F117-I227 HydrophobicContact CE1-CG2 4.32Å; F117-I227 HydrophobicContact CZ-CG2 3.97Å
118S92.9Very high90.6Very high2 Ų218.1 Ų18.11%0.0149%0.088CC..Hα-helixtrans-62.4-45.7174.1-62.80000111.4A114 S115 M121 L122A114-S118 VanDerWaalsContact O-CB 3.24Å; A114-S118 WeakPolarHBondContact O-CB 3.43Å; A114-S118 PolarHBondContact O-N 3.14Å; A114-S118 PolarHBondContact O-OG 3.5Å; S115-S118 PolarHBondContact O-N 3.45Å; S118-M121 PolarHBondContact O-N 3.35Å; S118-L122 VanDerWaalsContact O-CB 3.23Å; S118-L122 WeakPolarHBondContact O-CB 3.25Å; S118-L122 PolarHBondContact O-N 2.94Å
119L91Very high89.7Confident4 Ų419.4 Ų19.42%0.0219%0.094CC..Hα-helixtrans-64.8-39.6175.7-70.6173.7000112.7L70 S115 V116 L122 S123 L272 F276L70-L119 HydrophobicContact CD2-CD2 4.2Å; S115-L119 WeakPolarHBondContact O-CG 3.02Å; S115-L119 PolarHBondContact O-N 2.94Å; V116-L119 PolarHBondContact O-N 3.42Å; L119-L122 PolarHBondContact O-N 3.39Å; L119-S123 WeakPolarHBondContact O-CB 3.4Å; L119-S123 PolarHBondContact O-N 3.37Å; L119-S123 PolarHBondContact O-OG 3.24Å; L119-L272 HydrophobicContact CD2-CB 3.9Å; L119-L272 HydrophobicContact CD2-CD1 4.44Å; L119-F276 HydrophobicContact CD1-CB 3.78Å; L119-F276 HydrophobicContact CD1-CD2 3.93Å; L119-F276 HydrophobicContact CD1-CG 3.92Å
120S91.9Very high88.7Confident10 Ų1019.1 Ų19.17%0.079%0.089CC..Hα-helixtrans-62.1-49.4176.1-58.30000110.7V116 F117 L122 S123 V124V116-S120 WeakPolarHBondContact O-CB 3.41Å; V116-S120 PolarHBondContact O-N 3.36Å; V116-S120 PolarHBondContact O-OG 3.48Å; F117-S120 PolarHBondContact O-N 2.85Å; S120-L122 VanDerWaalsContact C-N 3.35Å; S120-L122 PolarHBondContact O-N 3.27Å; S120-S123 PolarHBondContact O-N 3.45Å; S120-V124 WeakPolarHBondContact O-CG2 3.3Å; S120-V124 PolarHBondContact O-N 3.42Å
121M90.3Very high87.5Confident55 Ų5520.4 Ų20.427%0.27110%0.097SC..Hα-helixtrans-64.2-39.8178.3-172.260.265.100111.9L66 F117 S118 S123 V124 E125 I151L66-M121 HydrophobicContact CD1-CB 4.24Å; L66-M121 HydrophobicContact CD1-CG 3.82Å; L66-M121 HydrophobicContact CD2-CB 4.28Å; L66-M121 HydrophobicContact CD2-CG 4.12Å; F117-M121 WeakPolarHBondContact O-CB 3.24Å; F117-M121 PolarHBondContact O-N 3.42Å; S118-M121 PolarHBondContact O-N 3.35Å; M121-S123 VanDerWaalsContact C-N 3.27Å; M121-S123 PolarHBondContact O-N 3.47Å; M121-V124 PolarHBondContact O-N 3.05Å; M121-E125 WeakPolarHBondContact O-CB 3.08Å; M121-E125 PolarHBondContact O-N 3.36Å; M121-I151 HydrophobicContact CE-CG2 3.89Å; M121-I151 HydrophobicContact CG-CG2 3.86Å; M121-I151 HydrophobicContact SD-CG2 4.09Å
122L88Confident85.9Confident4 Ų421.9 Ų21.92%0.02111%0.114CC..Hα-helixtrans-61-38.5175.4-175.260000111.4S118 L119 S120 R126 I269S118-L122 VanDerWaalsContact O-CB 3.23Å; S118-L122 WeakPolarHBondContact O-CB 3.25Å; S118-L122 PolarHBondContact O-N 2.94Å; L119-L122 PolarHBondContact O-N 3.39Å; S120-L122 VanDerWaalsContact C-N 3.35Å; S120-L122 PolarHBondContact O-N 3.27Å; L122-R126 WeakPolarHBondContact O-CG 3.23Å; L122-R126 PolarHBondContact O-N 3.01Å; L122-R126 VanDerWaalsContact O-N 3.14Å; L122-I269 HydrophobicContact CD1-CD1 3.91Å; L122-I269 HydrophobicContact CD1-CG1 4.47Å; L122-I269 HydrophobicContact CD2-CD1 4Å; L122-I269 HydrophobicContact CD2-CG1 3.66Å; L122-I269 HydrophobicContact CD2-CG2 4.18Å; L122-I269 HydrophobicContact CG-CD1 3.59Å; L122-I269 HydrophobicContact CG-CG1 3.81Å; L122-I269 HydrophobicContact CG-CG2 4.14Å
123S87.3Confident84.2Confident2 Ų229.9 Ų29.91%0.01414%0.144CC..Hα-helixtrans-72.1-42.3177.6-58.50000112.4L119 S120 M121 E125 R126 Y127 L236 Y240L119-S123 WeakPolarHBondContact O-CB 3.4Å; L119-S123 PolarHBondContact O-N 3.37Å; L119-S123 PolarHBondContact O-OG 3.24Å; S120-S123 PolarHBondContact O-N 3.45Å; M121-S123 VanDerWaalsContact C-N 3.27Å; M121-S123 PolarHBondContact O-N 3.47Å; S123-E125 VanDerWaalsContact C-N 3.35Å; S123-E125 PolarHBondContact O-N 3.39Å; S123-R126 PolarHBondContact O-N 2.94Å; S123-Y127 PolarHBondContact O-N 2.93Å; S123-L236 WeakPolarHBondContact OG-CD2 3.3Å; S123-Y240 PolarHBondContact OG-OH 3.03Å
124V87.3Confident82.3Confident29 Ų2932.9 Ų32.918%0.17616%0.155CC..Hα-helixtrans-62-42.5173.8171.60000111.1S120 M121 R126 Y127 W128 I235S120-V124 WeakPolarHBondContact O-CG2 3.3Å; S120-V124 PolarHBondContact O-N 3.42Å; M121-V124 PolarHBondContact O-N 3.05Å; V124-R126 VanDerWaalsContact C-N 3.31Å; V124-R126 PolarHBondContact O-N 3.37Å; V124-Y127 WeakPolarHBondContact O-CB 3.5Å; V124-Y127 PolarHBondContact O-N 3.35Å; V124-W128 HydrophobicContact CG1-CD2 3.82Å; V124-W128 HydrophobicContact CG1-CE3 3.8Å; V124-W128 HydrophobicContact CG1-CH2 3.43Å; V124-W128 VanDerWaalsContact CG1-CH2 3.43Å; V124-W128 HydrophobicContact CG1-CZ2 3.45Å; V124-W128 VanDerWaalsContact CG1-CZ2 3.45Å; V124-W128 HydrophobicContact CG1-CZ3 3.61Å; V124-W128 PolarHBondContact O-N 3.14Å; V124-I235 HydrophobicContact CG2-CG2 4Å
125E82.4Confident79.8Confident9 Ų941.8 Ų41.84%0.04220%0.196CC..Hα-helixtrans-59.3-44.2176.3-170.7-173.2-167.300111.2S62 S63 M121 S123 W128 I129 R134S62-E125 WeakPolarHBondContact CB-OE1 3.41Å; S62-E125 PolarHBondContact OG-OE1 3.48Å; S63-E125 WeakPolarHBondContact CA-OE2 3.22Å; S63-E125 WeakPolarHBondContact CB-OE2 3.35Å; S63-E125 PolarHBondContact N-OE2 2.97Å; S63-E125 VanDerWaalsContact N-OE2 3.15Å; S63-E125 PolarHBondContact OG-OE2 3.31Å; M121-E125 WeakPolarHBondContact O-CB 3.08Å; M121-E125 PolarHBondContact O-N 3.36Å; S123-E125 VanDerWaalsContact C-N 3.35Å; S123-E125 PolarHBondContact O-N 3.39Å; E125-W128 PolarHBondContact O-N 3.44Å; E125-I129 HydrophobicContact CG-CD1 3.95Å; E125-I129 VanDerWaalsContact O-CG1 3.3Å; E125-I129 WeakPolarHBondContact O-CG1 3.31Å; E125-I129 PolarHBondContact O-N 2.98Å; E125-R134 IonicContact OE1-CZ 3.98Å; E125-R134 IonicContact OE1-NH1 2.94Å; E125-R134 PolarHBondContact OE1-NH1 3.13Å
126R81.1Confident77.6Confident20 Ų2046.7 Ų46.78%0.07523%0.23CC..Hα-helixtrans-63.9-43.7176-71-60173-127.8-11.2112.3S63 L122 S123 V124 W128 I129 L130 I269S63-R126 VanDerWaalsContact OG-CZ 3.3Å; S63-R126 PolarHBondContact OG-NH1 2.99Å; S63-R126 PolarHBondContact OG-NH2 2.83Å; L122-R126 WeakPolarHBondContact O-CG 3.23Å; L122-R126 PolarHBondContact O-N 3.01Å; L122-R126 VanDerWaalsContact O-N 3.14Å; S123-R126 PolarHBondContact O-N 2.94Å; V124-R126 VanDerWaalsContact C-N 3.31Å; V124-R126 PolarHBondContact O-N 3.37Å; R126-W128 VanDerWaalsContact C-N 3.33Å; R126-W128 PolarHBondContact O-N 3.19Å; R126-I129 PolarHBondContact O-N 2.96Å; R126-L130 HydrophobicContact CB-CD1 4.5Å; R126-L130 WeakPolarHBondContact O-CB 3.17Å; R126-L130 VanDerWaalsContact O-CG 3.23Å; R126-L130 WeakPolarHBondContact O-CG 3.31Å; R126-L130 PolarHBondContact O-N 3.42Å; R126-I269 HydrophobicContact CG-CD1 3.25Å
127Y80.4Confident75Confident40 Ų4049.2 Ų49.216%0.15726%0.256CS..Hα-helixtrans-56.2-47.3176.3171.5-101.1000111.5S123 V124 L130 T131 R133 S242S123-Y127 PolarHBondContact O-N 2.93Å; V124-Y127 WeakPolarHBondContact O-CB 3.5Å; V124-Y127 PolarHBondContact O-N 3.35Å; Y127-L130 PolarHBondContact O-N 3.42Å; Y127-T131 HydrophobicContact CD2-CG2 3.9Å; Y127-T131 HydrophobicContact CE1-CG2 4.29Å; Y127-T131 HydrophobicContact CE2-CG2 3.46Å; Y127-T131 VanDerWaalsContact CE2-CG2 3.46Å; Y127-T131 HydrophobicContact CG-CG2 4.47Å; Y127-T131 WeakPolarHBondContact O-CB 3.44Å; Y127-T131 WeakPolarHBondContact O-CG2 3.45Å; Y127-T131 PolarHBondContact O-N 3.49Å; Y127-T131 PolarHBondContact O-OG1 3.17Å; Y127-R133 PolarHBondContact OH-NH1 3.07Å; Y127-S242 WeakPolarHBondContact CE2-OG 3.07Å
128W80.2Confident72.5Confident92 Ų9256.9 Ų56.935%0.34829%0.292SS..Hα-helixtrans-66.3-38.3178.5-71-30000114.2V124 E125 R126 T131 G132 R133 R134V124-W128 HydrophobicContact CG1-CD2 3.82Å; V124-W128 HydrophobicContact CG1-CE3 3.8Å; V124-W128 HydrophobicContact CG1-CH2 3.43Å; V124-W128 VanDerWaalsContact CG1-CH2 3.43Å; V124-W128 HydrophobicContact CG1-CZ2 3.45Å; V124-W128 VanDerWaalsContact CG1-CZ2 3.45Å; V124-W128 HydrophobicContact CG1-CZ3 3.61Å; V124-W128 PolarHBondContact O-N 3.14Å; E125-W128 PolarHBondContact O-N 3.44Å; R126-W128 VanDerWaalsContact C-N 3.33Å; R126-W128 PolarHBondContact O-N 3.19Å; W128-T131 WeakPolarHBondContact CA-OG1 3.33Å; W128-T131 PolarHBondContact O-OG1 2.73Å; W128-G132 PolarHBondContact O-N 2.94Å; W128-R133 PolarHBondContact O-N 3.31Å; W128-R134 HydrophobicContact CB-CB 4.45Å; W128-R134 PolarHBondContact O-N 2.81Å
129I75.6Confident69.7Low46 Ų4664.7 Ų64.724%0.23633%0.329CS..Hα-helixtrans-65.3-42.8176.2-70.3168.1000110.3E125 R126 G132E125-I129 HydrophobicContact CG-CD1 3.95Å; E125-I129 VanDerWaalsContact O-CG1 3.3Å; E125-I129 WeakPolarHBondContact O-CG1 3.31Å; E125-I129 PolarHBondContact O-N 2.98Å; R126-I129 PolarHBondContact O-N 2.96Å; I129-G132 PolarHBondContact O-N 2.93Å
130L73.9Confident67.5Low18 Ų1868.9 Ų68.99%0.09436%0.356CS..Hα-helixtrans-75.8-34.1-175.4-70.2168.9000113.2R126 Y127 G132 L243 L246 F251 Q262 L266R126-L130 HydrophobicContact CB-CD1 4.5Å; R126-L130 WeakPolarHBondContact O-CB 3.17Å; R126-L130 VanDerWaalsContact O-CG 3.23Å; R126-L130 WeakPolarHBondContact O-CG 3.31Å; R126-L130 PolarHBondContact O-N 3.42Å; Y127-L130 PolarHBondContact O-N 3.42Å; L130-G132 PolarHBondContact O-N 3.01Å; L130-L243 HydrophobicContact CB-CD1 3.43Å; L130-L243 VanDerWaalsContact CB-CD1 3.43Å; L130-L243 HydrophobicContact CD1-CD1 3.46Å; L130-L243 VanDerWaalsContact CD1-CD1 3.46Å; L130-L243 HydrophobicContact CD1-CD2 3.54Å; L130-L243 HydrophobicContact CD1-CG 4.08Å; L130-L243 HydrophobicContact CG-CD1 4.04Å; L130-L246 VanDerWaalsContact O-CD2 3.3Å; L130-L246 WeakPolarHBondContact O-CD2 3.28Å; L130-F251 HydrophobicContact CD2-CE2 4.4Å; L130-F251 HydrophobicContact CD2-CZ 3.91Å; L130-Q262 HydrophobicContact CD2-CB 3.98Å; L130-Q262 HydrophobicContact CD2-CG 4.17Å; L130-Q262 VanDerWaalsContact CD2-OE1 3.29Å; L130-L266 HydrophobicContact CD1-CD1 4.33Å
131T72.6Confident65.2Low40 Ų4072.8 Ų72.825%0.24538%0.383CS..THydrogen-bonded Turntrans-76.7-4.3175.851.80000113.9Y127 W128 R133 L246Y127-T131 HydrophobicContact CD2-CG2 3.9Å; Y127-T131 HydrophobicContact CE1-CG2 4.29Å; Y127-T131 HydrophobicContact CE2-CG2 3.46Å; Y127-T131 VanDerWaalsContact CE2-CG2 3.46Å; Y127-T131 HydrophobicContact CG-CG2 4.47Å; Y127-T131 WeakPolarHBondContact O-CB 3.44Å; Y127-T131 WeakPolarHBondContact O-CG2 3.45Å; Y127-T131 PolarHBondContact O-N 3.49Å; Y127-T131 PolarHBondContact O-OG1 3.17Å; W128-T131 WeakPolarHBondContact CA-OG1 3.33Å; W128-T131 PolarHBondContact O-OG1 2.73Å; T131-R133 PolarHBondContact O-N 3.3Å; T131-R133 VanDerWaalsContact O-N 3.14Å; T131-L246 HydrophobicContact CG2-CD2 3.81Å
132G62.9Low63.1Low36 Ų3676 Ų7637%0.37141%0.408SS..THydrogen-bonded Turntrans69.93.2-17800000114.4W128 I129 L130 R134W128-G132 PolarHBondContact O-N 2.94Å; I129-G132 PolarHBondContact O-N 2.93Å; L130-G132 PolarHBondContact O-N 3.01Å; G132-R134 CarbonylContact O-C 3.54Å; G132-R134 PolarHBondContact O-N 3.34Å
133R57.6Low61.4Low179 Ų17982.2 Ų82.268%0.67543%0.431SS*.SBendtrans-64.3-19.6173.9-73-177.7175.1174.90.4112.4Y127 W128 T131Y127-R133 PolarHBondContact OH-NH1 3.07Å; W128-R133 PolarHBondContact O-N 3.31Å; T131-R133 PolarHBondContact O-N 3.3Å; T131-R133 VanDerWaalsContact O-N 3.14Å
134R55Low59.8Low69 Ų6986.2 Ų86.226%0.2646%0.459SS..SBendtrans-102.5107.7164.4-159.7168.7-178.2-170.4-2106.3S62 E125 W128 G132 S136S62-R134 PolarHBondContact OG-NH2 3.06Å; E125-R134 IonicContact OE1-CZ 3.98Å; E125-R134 IonicContact OE1-NH1 2.94Å; E125-R134 PolarHBondContact OE1-NH1 3.13Å; W128-R134 HydrophobicContact CB-CB 4.45Å; W128-R134 PolarHBondContact O-N 2.81Å; G132-R134 CarbonylContact O-C 3.54Å; G132-R134 PolarHBondContact O-N 3.34Å; R134-S136 PolarHBondContact O-N 3.43Å; R134-S136 VanDerWaalsContact O-N 3.13Å
135H43.3Very low58.6Low187 Ų18789.9 Ų89.987%0.86648%0.483SS*.  trans-41.6117.7-171.4-84.8-8.2000113.2
136S48.7Very low58.1Low103 Ų10394.4 Ų94.472%0.7251%0.507SS*.  trans-96.888.1166.1-155.40000106.5R134R134-S136 PolarHBondContact O-N 3.43Å; R134-S136 VanDerWaalsContact O-N 3.13Å
137G39.9Very low58Low54 Ų54100.9 Ų100.956%0.55753%0.532SS*.SBendtrans-169.396.4-177.400000111.9Q139G137-Q139 VanDerWaalsContact C-N 3.32Å; G137-Q139 PolarHBondContact O-N 3.12Å
138H40.4Very low58.1Low196 Ų196100.3 Ų100.391%0.90753%0.533SS*.SBendtrans42.335.3148.2-74.683.8000120.7
139Q34.7Very low58.4Low166 Ų166100.9 Ų100.978%0.77654%0.542SS*.  trans-170.9126.6146.2-109.9151.4-12.300108.8G137 S141G137-Q139 VanDerWaalsContact C-N 3.32Å; G137-Q139 PolarHBondContact O-N 3.12Å; Q139-S141 VanDerWaalsContact C-N 3.27Å; Q139-S141 PolarHBondContact O-N 2.9Å
140P43.8Very low59Low91 Ų91107.1 Ų107.159%0.59156%0.563SS**  trans-68.495.6165.427-24.2000106.6
141S44.6Very low59.8Low92 Ų92108.6 Ų108.664%0.64357%0.57SS**  trans-51.1136.6162.4-32.10000106.8Q139 R143Q139-S141 VanDerWaalsContact C-N 3.27Å; Q139-S141 PolarHBondContact O-N 2.9Å; S141-R143 PolarHBondContact O-N 2.86Å
142P46.2Very low60.7Low123 Ų123108.1 Ų108.180%0.79957%0.566SS**  trans-55.5106.9178.622.5-30.7000107C144P142-C144 PolarHBondContact O-N 3.17Å
143R52.2Low62.2Low134 Ų134109.4 Ų109.451%0.50657%0.567SS.*  trans-64.1113.7173.9-76.1-179.2-168.4131.57.4104.8A60 S141 P145A60-R143 PolarHBondContact O-NH1 3.49Å; S141-R143 PolarHBondContact O-N 2.86Å; R143-P145 WeakPolarHBondContact O-CD 3.48Å
144C53.1Low63.9Low87 Ų87103.3 Ų103.359%0.58855%0.554SS**  trans-55.6115.6174-60.90000108.2P142 N146 R147P142-C144 PolarHBondContact O-N 3.17Å; C144-N146 PolarHBondContact O-N 3.27Å; C144-R147 PolarHBondContact O-N 2.59Å
145P62Low65.8Low106 Ų106100.6 Ų100.669%0.68855%0.545SS*.Hα-helixtrans-50.5-30.1178.2-27.435.3000112.3R143 R147 T148 L149R143-P145 WeakPolarHBondContact O-CD 3.48Å; P145-R147 VanDerWaalsContact C-N 3.33Å; P145-R147 PolarHBondContact O-N 2.94Å; P145-T148 PolarHBondContact O-N 3.45Å; P145-L149 PolarHBondContact O-N 2.94Å; P145-L149 VanDerWaalsContact O-N 3.16Å
146N71.3Confident68.3Low103 Ų10394.8 Ų94.855%0.55152%0.516SS*.Hα-helixtrans-54.4-39.4178.1-65.98000113.6C144 L149 W150C144-N146 PolarHBondContact O-N 3.27Å; N146-L149 PolarHBondContact O-N 3.29Å; N146-W150 WeakPolarHBondContact O-CB 3.12Å; N146-W150 PolarHBondContact O-N 3.44Å
147R80.6Confident70.6Confident156 Ų15693.9 Ų93.959%0.58951%0.506SS*.Hα-helixtrans-68.8-43-175.8-176.8178.6171.8-176.2-0.4112.4C144 P145 L149 W150 I151C144-R147 PolarHBondContact O-N 2.59Å; P145-R147 VanDerWaalsContact C-N 3.33Å; P145-R147 PolarHBondContact O-N 2.94Å; R147-L149 VanDerWaalsContact C-N 3.35Å; R147-W150 PolarHBondContact O-N 3.42Å; R147-I151 HydrophobicContact CG-CD1 4.25Å; R147-I151 WeakPolarHBondContact O-CG1 3.47Å; R147-I151 PolarHBondContact O-N 3.01Å; R147-I151 VanDerWaalsContact O-N 3.08Å
148T81.8Confident73.3Confident29 Ų2994.8 Ų94.818%0.17850%0.501CS..Hα-helixtrans-67.9-39.9178.3-63.40000110.7P145 I151 L152P145-T148 PolarHBondContact O-N 3.45Å; T148-I151 PolarHBondContact O-N 3.34Å; T148-L152 HydrophobicContact CG2-CD1 4.31Å; T148-L152 WeakPolarHBondContact O-CG 3.39Å; T148-L152 PolarHBondContact O-N 3.37Å
149L85.9Confident76Confident103 Ų10385.5 Ų85.554%0.53946%0.457SS..Hα-helixtrans-59-47.9172.7-178.663.5000111.7P145 N146 R147 I151 L152 V153P145-L149 PolarHBondContact O-N 2.94Å; P145-L149 VanDerWaalsContact O-N 3.16Å; N146-L149 PolarHBondContact O-N 3.29Å; R147-L149 VanDerWaalsContact C-N 3.35Å; L149-I151 VanDerWaalsContact C-N 3.33Å; L149-I151 PolarHBondContact O-N 3.25Å; L149-L152 PolarHBondContact O-N 3.43Å; L149-L152 VanDerWaalsContact O-N 3.15Å; L149-V153 HydrophobicContact CD1-CG2 4.23Å; L149-V153 HydrophobicContact CG-CG2 4.37Å; L149-V153 WeakPolarHBondContact O-CG2 3.28Å; L149-V153 PolarHBondContact O-N 2.03Å
150W89.5Confident79Confident178 Ų17879 Ų7967%0.67443%0.432SS*.Hα-helixtrans-59.9-40.4177.5-80.2121.8000113.1N146 R147 A154N146-W150 WeakPolarHBondContact O-CB 3.12Å; N146-W150 PolarHBondContact O-N 3.44Å; R147-W150 PolarHBondContact O-N 3.42Å; W150-A154 VanDerWaalsContact O-CB 3.26Å; W150-A154 WeakPolarHBondContact O-CB 3.3Å; W150-A154 PolarHBondContact O-N 2.74Å
151I89.6Confident81.6Confident48 Ų4878.7 Ų78.725%0.24643%0.429CS..Hα-helixtrans-62-45.2175.5-70.2166.1000110.5M121 R147 T148 L149 A154 V155M121-I151 HydrophobicContact CE-CG2 3.89Å; M121-I151 HydrophobicContact CG-CG2 3.86Å; M121-I151 HydrophobicContact SD-CG2 4.09Å; R147-I151 HydrophobicContact CG-CD1 4.25Å; R147-I151 WeakPolarHBondContact O-CG1 3.47Å; R147-I151 PolarHBondContact O-N 3.01Å; R147-I151 VanDerWaalsContact O-N 3.08Å; T148-I151 PolarHBondContact O-N 3.34Å; L149-I151 VanDerWaalsContact C-N 3.33Å; L149-I151 PolarHBondContact O-N 3.25Å; I151-A154 PolarHBondContact O-N 2.91Å; I151-V155 VanDerWaalsContact O-CG2 3.31Å; I151-V155 WeakPolarHBondContact O-CG2 3.29Å; I151-V155 PolarHBondContact O-N 3.15Å
152L91.8Very high84Confident30 Ų3076 Ų7616%0.15741%0.406CS..Hα-helixtrans-63.8-50.3178.3-70.4169.2000111.2L66 T148 L149 A154 V155 W156L66-L152 HydrophobicContact CD2-CD2 3.86Å; T148-L152 HydrophobicContact CG2-CD1 4.31Å; T148-L152 WeakPolarHBondContact O-CG 3.39Å; T148-L152 PolarHBondContact O-N 3.37Å; L149-L152 PolarHBondContact O-N 3.43Å; L149-L152 VanDerWaalsContact O-N 3.15Å; L152-A154 VanDerWaalsContact C-N 3.26Å; L152-A154 PolarHBondContact O-N 2.93Å; L152-V155 PolarHBondContact O-N 3.37Å; L152-V155 VanDerWaalsContact O-N 3.09Å; L152-W156 PolarHBondContact O-N 3.08Å
153V93.3Very high86.4Confident64 Ų6470.1 Ų70.139%0.38837%0.369SS..Hα-helixtrans-55.3-45.1177171.40000110.5L149 V155 W156 V157L149-V153 HydrophobicContact CD1-CG2 4.23Å; L149-V153 HydrophobicContact CG-CG2 4.37Å; L149-V153 WeakPolarHBondContact O-CG2 3.28Å; L149-V153 PolarHBondContact O-N 2.03Å; V153-V155 PolarHBondContact O-N 3.22Å; V153-W156 PolarHBondContact O-N 2.64Å; V153-V157 HydrophobicContact CG1-CG2 4.12Å; V153-V157 WeakPolarHBondContact O-CB 3.45Å; V153-V157 VanDerWaalsContact O-CG2 3.23Å; V153-V157 WeakPolarHBondContact O-CG2 3.41Å; V153-V157 PolarHBondContact O-N 3.03Å
154A94.2Very high88.5Confident50 Ų5067 Ų6741%0.41336%0.362SS..Hα-helixtrans-61.6-45.1176.700000112.4W150 I151 L152 W156 V157 V158W150-A154 VanDerWaalsContact O-CB 3.26Å; W150-A154 WeakPolarHBondContact O-CB 3.3Å; W150-A154 PolarHBondContact O-N 2.74Å; I151-A154 PolarHBondContact O-N 2.91Å; L152-A154 VanDerWaalsContact C-N 3.26Å; L152-A154 PolarHBondContact O-N 2.93Å; A154-W156 VanDerWaalsContact C-N 3.34Å; A154-W156 PolarHBondContact O-N 3.44Å; A154-V157 PolarHBondContact O-N 3.43Å; A154-V158 WeakPolarHBondContact O-CB 3.2Å; A154-V158 WeakPolarHBondContact O-CG2 3.47Å; A154-V158 PolarHBondContact O-N 2.99Å
155V94.1Very high90.3Very high13 Ų1364.7 Ų64.78%0.07935%0.345CS..Hα-helixtrans-57.8-47.4176.6165.60000111F117 I151 L152 V153 A159F117-V155 HydrophobicContact CB-CG1 3.91Å; F117-V155 HydrophobicContact CB-CG2 4.35Å; I151-V155 VanDerWaalsContact O-CG2 3.31Å; I151-V155 WeakPolarHBondContact O-CG2 3.29Å; I151-V155 PolarHBondContact O-N 3.15Å; L152-V155 PolarHBondContact O-N 3.37Å; L152-V155 VanDerWaalsContact O-N 3.09Å; V153-V155 PolarHBondContact O-N 3.22Å; V155-A159 WeakPolarHBondContact O-CB 3.1Å; V155-A159 PolarHBondContact O-N 3.18Å
156W96.9Very high91.6Very high64 Ų6460 Ų6024%0.24232%0.316CS..Hα-helixtrans-69.4-43.2-178.7-79.693.7000112.8S69 L72 A73 L110 L152 V153 A154 A159 A160S69-W156 PolarHBondContact OG-NE1 3.21Å; L72-W156 HydrophobicContact CB-CZ2 4.25Å; L72-W156 HydrophobicContact CD2-CH2 4.19Å; L72-W156 HydrophobicContact CD2-CZ2 3.89Å; L72-W156 HydrophobicContact CG-CH2 4.08Å; L72-W156 HydrophobicContact CG-CZ2 4.09Å; A73-W156 HydrophobicContact CB-CH2 3.94Å; A73-W156 HydrophobicContact CB-CZ2 4.29Å; L110-W156 HydrophobicContact CD1-CE3 4.41Å; L110-W156 HydrophobicContact CD2-CE3 4.46Å; L110-W156 HydrophobicContact CD2-CZ3 3.99Å; L110-W156 HydrophobicContact CG-CZ3 4.35Å; L152-W156 PolarHBondContact O-N 3.08Å; V153-W156 PolarHBondContact O-N 2.64Å; A154-W156 VanDerWaalsContact C-N 3.34Å; A154-W156 PolarHBondContact O-N 3.44Å; W156-A159 PolarHBondContact O-N 3.08Å; W156-A160 VanDerWaalsContact O-CB 3.25Å; W156-A160 WeakPolarHBondContact O-CB 3.25Å; W156-A160 PolarHBondContact O-N 2.91Å
157V97.4Very high92.7Very high84 Ų8457.6 Ų57.651%0.50930%0.303SS..Hα-helixtrans-63.5-47.8177.9169.50000110.5V153 A154 A159 A160 V161V153-V157 HydrophobicContact CG1-CG2 4.12Å; V153-V157 WeakPolarHBondContact O-CB 3.45Å; V153-V157 VanDerWaalsContact O-CG2 3.23Å; V153-V157 WeakPolarHBondContact O-CG2 3.41Å; V153-V157 PolarHBondContact O-N 3.03Å; A154-V157 PolarHBondContact O-N 3.43Å; V157-A159 PolarHBondContact O-N 3.43Å; V157-A160 PolarHBondContact O-N 3.35Å; V157-V161 HydrophobicContact CG1-CG2 4.45Å; V157-V161 WeakPolarHBondContact O-CB 3.06Å; V157-V161 VanDerWaalsContact O-CG2 3.29Å; V157-V161 WeakPolarHBondContact O-CG2 3.36Å; V157-V161 PolarHBondContact O-N 3.3Å
158V96.7Very high93.3Very high74 Ų7455.2 Ų55.245%0.44830%0.302SS..Hα-helixtrans-63.7-43.3178.4174.80000110.7F117 A154 A160 V161 L162F117-V158 HydrophobicContact CE2-CG1 3.8Å; F117-V158 HydrophobicContact CZ-CG1 4.28Å; A154-V158 WeakPolarHBondContact O-CB 3.2Å; A154-V158 WeakPolarHBondContact O-CG2 3.47Å; A154-V158 PolarHBondContact O-N 2.99Å; V158-A160 PolarHBondContact O-N 3.17Å; V158-V161 PolarHBondContact O-N 2.96Å; V158-L162 HydrophobicContact CG1-CD1 3.83Å; V158-L162 HydrophobicContact CG1-CG 4.39Å; V158-L162 WeakPolarHBondContact O-CB 3.13Å; V158-L162 WeakPolarHBondContact O-CG 3.33Å; V158-L162 PolarHBondContact O-N 3.47Å
159A97.3Very high93.8Very high0 Ų054.5 Ų54.50%030%0.296CS..Hα-helixtrans-61.6-43.5176.300000112.3L110 A114 F117 V155 W156 V157 L162 A163L110-A159 HydrophobicContact CD1-CB 3.9Å; A114-A159 HydrophobicContact CB-CB 4.02Å; F117-A159 HydrophobicContact CD2-CB 4.3Å; F117-A159 HydrophobicContact CE2-CB 4.43Å; V155-A159 WeakPolarHBondContact O-CB 3.1Å; V155-A159 PolarHBondContact O-N 3.18Å; W156-A159 PolarHBondContact O-N 3.08Å; V157-A159 PolarHBondContact O-N 3.43Å; A159-L162 PolarHBondContact O-N 3.49Å; A159-A163 VanDerWaalsContact O-CB 3.28Å; A159-A163 WeakPolarHBondContact O-CB 3.12Å; A159-A163 PolarHBondContact O-N 2.89Å
160A97.4Very high94.1Very high30 Ų3052 Ų5225%0.24828%0.28CS..Hα-helixtrans-63.9-47.5178.100000111.6F106 L110 W156 V157 V158 L162 A163 L164F106-A160 HydrophobicContact CZ-CB 4.27Å; L110-A160 HydrophobicContact CD1-CB 4.05Å; W156-A160 VanDerWaalsContact O-CB 3.25Å; W156-A160 WeakPolarHBondContact O-CB 3.25Å; W156-A160 PolarHBondContact O-N 2.91Å; V157-A160 PolarHBondContact O-N 3.35Å; V158-A160 PolarHBondContact O-N 3.17Å; A160-L162 VanDerWaalsContact C-N 3.29Å; A160-L162 PolarHBondContact O-N 3.48Å; A160-A163 CarbonylContact O-C 3.47Å; A160-A163 WeakPolarHBondContact O-CA 3.39Å; A160-A163 PolarHBondContact O-N 3.39Å; A160-L164 WeakPolarHBondContact O-CG 3.43Å; A160-L164 PolarHBondContact O-N 2.9Å
161V97.1Very high94.4Very high85 Ų8544.3 Ų44.352%0.51525%0.253SS..Hα-helixtrans-57.3-44.4176169.60000111V157 V158 A163 L164V157-V161 HydrophobicContact CG1-CG2 4.45Å; V157-V161 WeakPolarHBondContact O-CB 3.06Å; V157-V161 VanDerWaalsContact O-CG2 3.29Å; V157-V161 WeakPolarHBondContact O-CG2 3.36Å; V157-V161 PolarHBondContact O-N 3.3Å; V158-V161 PolarHBondContact O-N 2.96Å; V161-A163 VanDerWaalsContact C-N 3.28Å; V161-A163 PolarHBondContact O-N 2.87Å; V161-L164 WeakPolarHBondContact O-CB 3.46Å; V161-L164 PolarHBondContact O-N 3.23Å
162L96Very high94.5Very high34 Ų3443.8 Ų43.818%0.17825%0.252CS..Hα-helixtrans-68.8-26.3177.6-69.1172.7000112.8Y113 F117 V158 A159 A160 P165 K223 I227Y113-L162 HydrophobicContact CD1-CB 4.35Å; Y113-L162 HydrophobicContact CD1-CD1 4.09Å; Y113-L162 HydrophobicContact CD2-CB 3.64Å; Y113-L162 HydrophobicContact CE1-CB 4.38Å; Y113-L162 HydrophobicContact CE1-CD1 4.36Å; Y113-L162 HydrophobicContact CE2-CB 3.66Å; Y113-L162 WeakPolarHBondContact CE2-O 3.21Å; Y113-L162 HydrophobicContact CG-CB 4.02Å; Y113-L162 HydrophobicContact CG-CD1 4.31Å; F117-L162 HydrophobicContact CE2-CD1 3.72Å; F117-L162 HydrophobicContact CZ-CD1 3.55Å; V158-L162 HydrophobicContact CG1-CD1 3.83Å; V158-L162 HydrophobicContact CG1-CG 4.39Å; V158-L162 WeakPolarHBondContact O-CB 3.13Å; V158-L162 WeakPolarHBondContact O-CG 3.33Å; V158-L162 PolarHBondContact O-N 3.47Å; A159-L162 PolarHBondContact O-N 3.49Å; A160-L162 VanDerWaalsContact C-N 3.29Å; A160-L162 PolarHBondContact O-N 3.48Å; L162-P165 WeakPolarHBondContact O-CD 3.15Å; L162-K223 VanDerWaalsContact CD2-CE 3.42Å; L162-K223 PolarHBondContact O-NZ 2.99Å; L162-I227 HydrophobicContact CD1-CG2 3.77Å; L162-I227 HydrophobicContact CD2-CD1 3.99Å
163A96.7Very high94.4Very high1 Ų143.4 Ų43.41%0.00826%0.256CS..Hα-helixtrans-85-14.5177.300000113.7F106 A109 L110 Y113 A159 A160 V161 P165 G166F106-A163 HydrophobicContact CD2-CB 3.83Å; F106-A163 HydrophobicContact CE2-CB 3.69Å; A109-A163 HydrophobicContact CB-CB 3.78Å; L110-A163 HydrophobicContact CB-CB 4.09Å; Y113-A163 HydrophobicContact CD2-CB 4.41Å; A159-A163 VanDerWaalsContact O-CB 3.28Å; A159-A163 WeakPolarHBondContact O-CB 3.12Å; A159-A163 PolarHBondContact O-N 2.89Å; A160-A163 CarbonylContact O-C 3.47Å; A160-A163 WeakPolarHBondContact O-CA 3.39Å; A160-A163 PolarHBondContact O-N 3.39Å; V161-A163 VanDerWaalsContact C-N 3.28Å; V161-A163 PolarHBondContact O-N 2.87Å; A163-P165 VanDerWaalsContact C-N 3.33Å; A163-G166 PolarHBondContact O-N 3.08Å
164L95Very high94.1Very high69 Ų6947.7 Ų47.736%0.36127%0.272SS..Hα-helixtrans-50.5-39.1-178.3-75.5174.9000115.2A160 V161 G166 L167 L168A160-L164 WeakPolarHBondContact O-CG 3.43Å; A160-L164 PolarHBondContact O-N 2.9Å; V161-L164 WeakPolarHBondContact O-CB 3.46Å; V161-L164 PolarHBondContact O-N 3.23Å; L164-G166 PolarHBondContact O-N 2.79Å; L164-L167 WeakPolarHBondContact O-CB 3.28Å; L164-L167 PolarHBondContact O-N 3.1Å; L164-L168 PolarHBondContact O-N 3.37Å
165P92.4Very high93.4Very high37 Ų3747.7 Ų47.724%0.2427%0.267CS..Hα-helixtrans-56.6-34176.4-26.536000112.8L162 A163 L167 L169 L220L162-P165 WeakPolarHBondContact O-CD 3.15Å; A163-P165 VanDerWaalsContact C-N 3.33Å; P165-L167 VanDerWaalsContact C-N 3.26Å; P165-L167 PolarHBondContact O-N 3.04Å; P165-L169 HydrophobicContact CB-CD1 4.06Å; P165-L169 VanDerWaalsContact O-CB 3.22Å; P165-L169 WeakPolarHBondContact O-CB 3.47Å; P165-L169 WeakPolarHBondContact O-CG 3.13Å; P165-L169 PolarHBondContact O-N 2.91Å; P165-L220 HydrophobicContact CB-CD1 4.21Å; P165-L220 HydrophobicContact CB-CD2 3.95Å; P165-L220 HydrophobicContact CG-CD2 4.03Å
166G88.5Confident92.5Very high7 Ų755.1 Ų55.17%0.07230%0.3CS..Hα-helixtrans-69.7-20.217600000114.1A163 L164 R170A163-G166 PolarHBondContact O-N 3.08Å; L164-G166 PolarHBondContact O-N 2.79Å; G166-R170 VanDerWaalsContact O-CB 3.25Å; G166-R170 WeakPolarHBondContact O-CB 3.25Å; G166-R170 WeakPolarHBondContact O-CG 3.3Å
167L93.6Very high91Very high54 Ų5456.4 Ų56.428%0.28331%0.311SS..Hα-helixtrans-87.1-45.6173.5-172.471.6000111.3Q102 F106 L164 P165Q102-L167 HydrophobicContact CB-CD1 4.05Å; Q102-L167 WeakPolarHBondContact CG-O 3.19Å; F106-L167 HydrophobicContact CB-CB 3.98Å; F106-L167 HydrophobicContact CB-CD1 3.92Å; F106-L167 HydrophobicContact CD2-CB 3.91Å; F106-L167 HydrophobicContact CG-CB 4.19Å; F106-L167 HydrophobicContact CG-CD1 4.29Å; L164-L167 WeakPolarHBondContact O-CB 3.28Å; L164-L167 PolarHBondContact O-N 3.1Å; P165-L167 VanDerWaalsContact C-N 3.26Å; P165-L167 PolarHBondContact O-N 3.04Å
168L93.1Very high88.9Confident106 Ų10658.2 Ų58.256%0.55532%0.318SS*.Hα-helixtrans-80.5-35.5-171.3-63.3176.9000113.1L164L164-L168 PolarHBondContact O-N 3.37Å
169L92.7Very high86.6Confident13 Ų1359.3 Ų59.37%0.06833%0.327CS..SBendtrans-100.5-9.1-172.8-51.6178.4000112.8P165 M194 N195 Y196 L199 L220P165-L169 HydrophobicContact CB-CD1 4.06Å; P165-L169 VanDerWaalsContact O-CB 3.22Å; P165-L169 WeakPolarHBondContact O-CB 3.47Å; P165-L169 WeakPolarHBondContact O-CG 3.13Å; P165-L169 PolarHBondContact O-N 2.91Å; L169-M194 HydrophobicContact CB-SD 4.24Å; L169-N195 PolarHBondContact O-N 2.89Å; L169-Y196 HydrophobicContact CD1-CD1 4.26Å; L169-Y196 HydrophobicContact CD1-CE1 4.14Å; L169-L199 HydrophobicContact CD1-CD1 3.58Å; L169-L199 HydrophobicContact CD2-CD1 3.41Å; L169-L199 VanDerWaalsContact CD2-CD1 3.41Å; L169-L199 HydrophobicContact CD2-CG 4.31Å; L169-L199 HydrophobicContact CG-CD1 4.13Å; L169-L220 HydrophobicContact CD1-CD1 3.59Å
170R93.6Very high84.3Confident51 Ų5164.9 Ų64.919%0.19236%0.361CS..EExtended strand (participates in β ladder)trans-79131.2173.4-80.6-71.8-161.9165.8-5.1110.3Q102 G166 C192 Q193 M194Q102-R170 HydrophobicContact CG-CB 4.31Å; Q102-R170 WeakPolarHBondContact CG-O 3.17Å; Q102-R170 PolarHBondContact NE2-O 2.77Å; G166-R170 VanDerWaalsContact O-CB 3.25Å; G166-R170 WeakPolarHBondContact O-CB 3.25Å; G166-R170 WeakPolarHBondContact O-CG 3.3Å; R170-C192 PolarHBondContact NH1-O 3.47Å; R170-Q193 WeakPolarHBondContact CA-O 3.23Å; R170-Q193 WeakPolarHBondContact CD-O 3.37Å; R170-M194 HydrophobicContact CG-CE 3.72Å; R170-M194 HydrophobicContact CG-SD 3.69Å; R170-M194 VanDerWaalsContact NE-CE 3.26Å
171S94Very high81.8Confident17 Ų1766.3 Ų66.312%0.11937%0.369CS..EExtended strand (participates in β ladder)trans-143.6166.6171.265.70000110.6Q193 N195S171-Q193 PolarHBondContact N-O 2.72Å; S171-Q193 PolarHBondContact O-N 3.36Å; S171-Q193 VanDerWaalsContact O-O 3.12Å; S171-N195 WeakPolarHBondContact OG-CB 3.49Å; S171-N195 PolarHBondContact OG-ND2 2.85Å
172V93.5Very high79.7Confident36 Ų3671.8 Ų71.822%0.21839%0.389CS..EExtended strand (participates in β ladder)trans-90.1120.5171.2177.80000106.5W94 Q98 C101 L190 S191W94-V172 HydrophobicContact CG-CG2 4.45Å; Q98-V172 HydrophobicContact CB-CG2 4.39Å; C101-V172 HydrophobicContact CB-CG2 3.9Å; V172-L190 HydrophobicContact CG1-CB 3.84Å; V172-L190 HydrophobicContact CG1-CD2 3.93Å; V172-L190 HydrophobicContact CG1-CG 4.39Å; V172-S191 WeakPolarHBondContact CA-O 3.36Å
173G88.3Confident77.6Confident23 Ų2377.9 Ų77.924%0.23742%0.422CS..EExtended strand (participates in β ladder)trans-114.7154.9176.500000110.8L190 S191G173-L190 CarbonylContact O-C 3.58Å; G173-L190 WeakPolarHBondContact O-CA 3.35Å; G173-S191 PolarHBondContact N-O 3.46Å; G173-S191 PolarHBondContact O-N 3.37Å
174E86.9Confident75.3Confident153 Ų15382.5 Ų82.572%0.71545%0.446SS*.EExtended strand (participates in β ladder)trans-86.8129.3172.7-71.2176-178.700108.9V188 L190E174-V188 HydrophobicContact CB-CG1 3.63Å; E174-V188 HydrophobicContact CG-CG1 3.68Å; E174-L190 HydrophobicContact CG-CD2 3.78Å
175V81.3Confident73.1Confident51 Ų5184.3 Ų84.331%0.30946%0.463SS..EExtended strand (participates in β ladder)trans-118.3120.8175.1-174.70000107.5V189V175-V189 PolarHBondContact N-O 3.19Å; V175-V189 PolarHBondContact O-N 2.97Å
176E73.7Confident71.3Confident168 Ų16885.3 Ų85.379%0.78548%0.48SS*.EExtended strand (participates in β ladder)trans-75.2124.6170.6-68.4-179.7175.300108.6
177L65.4Low70.2Confident91 Ų9186.7 Ų86.748%0.47649%0.488SS..PPolyproline II helixtrans-74.1143173.1-80.2164.4000110.2S187 V189L177-S187 WeakPolarHBondContact CD1-OG 3.48Å; L177-V189 HydrophobicContact CD1-CG2 3.5Å; L177-V189 VanDerWaalsContact CD1-CG2 3.5Å; L177-V189 HydrophobicContact CG-CG2 4.05Å
178D53.6Low69.5Low123 Ų12387.7 Ų87.766%0.65850%0.496SS*.PPolyproline II helixtrans-56.2131.3-180-133.2-1.3000110.4T180D178-T180 PolarHBondContact O-N 2.81Å
179P48.5Very low69.2Low96 Ų9683.9 Ų83.962%0.62348%0.477SS*.THydrogen-bonded Turntrans-72.512.2-169.128.8-34.5000114.7
180T49.5Very low69.1Low117 Ų11786.3 Ų86.372%0.71849%0.49SS*.THydrogen-bonded Turntrans-86.7-8.8-17852.50000114.2D178 E182D178-T180 PolarHBondContact O-N 2.81Å; T180-E182 PolarHBondContact O-N 3.41Å
181S45.3Very low69Low60 Ų6084.2 Ų84.242%0.4248%0.483SS..  trans-76111.5167.756.70000109.9D183S181-D183 PolarHBondContact O-N 3.17Å
182E51.5Low69Low201 Ų20183.5 Ų83.594%0.93948%0.478SS*.THydrogen-bonded Turntrans-58.8-5.2-178.6-66.7-173.5140.500114.7T180T180-E182 PolarHBondContact O-N 3.41Å
183D53Low68.9Low161 Ų16185.8 Ų85.886%0.86149%0.486SS*.THydrogen-bonded Turntrans-97.1-22.5-172.9-76.5-41.6000115.5S181S181-D183 PolarHBondContact O-N 3.17Å
184D48.1Very low68.9Low98 Ų9888.1 Ų88.152%0.52449%0.492SS..  trans-165.198.1175.1-153.817.3000114.1G186D184-G186 PolarHBondContact O-N 3.42Å; D184-G186 VanDerWaalsContact O-N 3.15Å
185P47.8Very low68.9Low108 Ų10883.8 Ų83.870%0.70147%0.474SS*.THydrogen-bonded Turntrans-73.8106.117627.6-29.8000110.6
186G56.4Low69.2Low58 Ų5882.3 Ų82.360%0.59846%0.463SS*.THydrogen-bonded Turntrans113.517.1172.400000116.4D184 V188D184-G186 PolarHBondContact O-N 3.42Å; D184-G186 VanDerWaalsContact O-N 3.15Å; G186-V188 PolarHBondContact O-N 2.97Å
187S64.6Low69.6Low36 Ų3677.6 Ų77.625%0.25245%0.448SS..  trans-67.1114.7175.264.80000111.2L177L177-S187 WeakPolarHBondContact CD1-OG 3.48Å
188V78.6Confident70.3Confident74 Ų7480.5 Ų80.545%0.44846%0.461SS..EExtended strand (participates in β ladder)trans-83.2124176.2178.80000109.9E174 G186E174-V188 HydrophobicContact CB-CG1 3.63Å; E174-V188 HydrophobicContact CG-CG1 3.68Å; G186-V188 PolarHBondContact O-N 2.97Å
189V86.6Confident71.6Confident26 Ų2677.8 Ų77.816%0.15845%0.447CS..EExtended strand (participates in β ladder)trans-106.4121.4175.6177.30000110H93 V175 L177 S191H93-V189 HydrophobicContact CB-CG1 3.77Å; V175-V189 PolarHBondContact N-O 3.19Å; V175-V189 PolarHBondContact O-N 2.97Å; L177-V189 HydrophobicContact CD1-CG2 3.5Å; L177-V189 VanDerWaalsContact CD1-CG2 3.5Å; L177-V189 HydrophobicContact CG-CG2 4.05Å; V189-S191 PolarHBondContact O-N 2.9Å
190L91.2Very high73Confident64 Ų6473.7 Ų73.734%0.33542%0.42SS..EExtended strand (participates in β ladder)trans-70.4119.4168.7-63.7168.2000109.5H93 W94 V172 G173 E174H93-L190 CarbonylContact C-O 3.57Å; H93-L190 WeakPolarHBondContact CA-O 3.28Å; H93-L190 PolarHBondContact ND1-N 3.24Å; H93-L190 PolarHBondContact ND1-O 3.16Å; W94-L190 PolarHBondContact N-O 2.65Å; V172-L190 HydrophobicContact CG1-CB 3.84Å; V172-L190 HydrophobicContact CG1-CD2 3.93Å; V172-L190 HydrophobicContact CG1-CG 4.39Å; G173-L190 CarbonylContact O-C 3.58Å; G173-L190 WeakPolarHBondContact O-CA 3.35Å; E174-L190 HydrophobicContact CG-CD2 3.78Å
191S91.9Very high73.9Confident8 Ų870.3 Ų70.36%0.05641%0.409CS..EExtended strand (participates in β ladder)trans-120.1139177.5175.50000110.5Y87 V172 G173 V189 Q193Y87-S191 PolarHBondContact OH-OG 3.29Å; V172-S191 WeakPolarHBondContact CA-O 3.36Å; G173-S191 PolarHBondContact N-O 3.46Å; G173-S191 PolarHBondContact O-N 3.37Å; V189-S191 PolarHBondContact O-N 2.9Å; S191-Q193 PolarHBondContact O-N 2.98Å; S191-Q193 VanDerWaalsContact OG-CG 3.22Å; S191-Q193 WeakPolarHBondContact OG-CG 2.98Å; S191-Q193 PolarHBondContact OG-NE2 2.89Å
192C94.1Very high74.9Confident2 Ų272.8 Ų72.81%0.01443%0.432CS..EExtended strand (participates in β ladder)trans-77.6113.2169.4178.60000107.6W94 C101 R170W94-C192 HydrophobicContact CB-CB 4.19Å; W94-C192 HydrophobicContact CD2-CB 3.81Å; W94-C192 HydrophobicContact CE3-CB 3.9Å; W94-C192 HydrophobicContact CG-CB 3.91Å; C101-C192 HydrophobicContact CB-CB 3.85Å; C101-C192 WeakPolarHBondContact CB-SG 3.44Å; C101-C192 WeakPolarHBondContact SG-CB 3.44Å; C101-C192 CovalentContact SG-SG 2.03Å; C101-C192 PolarHBondContact SG-SG 3.03Å; R170-C192 PolarHBondContact NH1-O 3.47Å
193Q90.8Very high76Confident83 Ų8372.7 Ų72.739%0.38843%0.432SS..EExtended strand (participates in β ladder)trans-134165.9-173.4-61.6-168.8-7.700112.1R170 S171 S191R170-Q193 WeakPolarHBondContact CA-O 3.23Å; R170-Q193 WeakPolarHBondContact CD-O 3.37Å; S171-Q193 PolarHBondContact N-O 2.72Å; S171-Q193 PolarHBondContact O-N 3.36Å; S171-Q193 VanDerWaalsContact O-O 3.12Å; S191-Q193 PolarHBondContact O-N 2.98Å; S191-Q193 VanDerWaalsContact OG-CG 3.22Å; S191-Q193 WeakPolarHBondContact OG-CG 2.98Å; S191-Q193 PolarHBondContact OG-NE2 2.89Å
194M87.6Confident77Confident72 Ų7268.7 Ų68.736%0.35541%0.41SS..EExtended strand (participates in β ladder)trans-80.5130.9169.6-71.3-63.3176.200108.5L169 R170 Y196L169-M194 HydrophobicContact CB-SD 4.24Å; R170-M194 HydrophobicContact CG-CE 3.72Å; R170-M194 HydrophobicContact CG-SD 3.69Å; R170-M194 VanDerWaalsContact NE-CE 3.26Å; M194-Y196 HydrophobicContact CB-CE2 3.85Å
195N87.9Confident78.4Confident62 Ų6270.9 Ų70.933%0.33242%0.417SS..  trans-124.1115.8-180-177.7-32.6000108.5L169 S171 S197L169-N195 PolarHBondContact O-N 2.89Å; S171-N195 WeakPolarHBondContact OG-CB 3.49Å; S171-N195 PolarHBondContact OG-ND2 2.85Å; N195-S197 WeakPolarHBondContact OD1-CB 3.4Å; N195-S197 PolarHBondContact OD1-N 2.92Å; N195-S197 PolarHBondContact OD1-OG 3.49Å
196Y86.9Confident79.9Confident20 Ų2071.5 Ų71.58%0.07841%0.411CS..  trans-96.64.9-175.1-60.6-74.1000113.3L169 M194 M198 L199 V200 E213 W216 A217 L220L169-Y196 HydrophobicContact CD1-CD1 4.26Å; L169-Y196 HydrophobicContact CD1-CE1 4.14Å; M194-Y196 HydrophobicContact CB-CE2 3.85Å; Y196-M198 PolarHBondContact O-N 2.98Å; Y196-L199 HydrophobicContact CD1-CD1 3.98Å; Y196-L199 WeakPolarHBondContact O-CA 3.34Å; Y196-L199 WeakPolarHBondContact O-CB 3.12Å; Y196-L199 PolarHBondContact O-N 3.19Å; Y196-V200 PolarHBondContact O-N 3.4Å; Y196-E213 HydrophobicContact CD2-CB 4.1Å; Y196-E213 HydrophobicContact CD2-CG 4.41Å; Y196-W216 HydrophobicContact CD1-CB 3.52Å; Y196-W216 HydrophobicContact CD1-CG 4.3Å; Y196-W216 HydrophobicContact CE1-CB 3.78Å; Y196-W216 HydrophobicContact CG-CB 4.05Å; Y196-A217 HydrophobicContact CE2-CB 4.02Å; Y196-A217 WeakPolarHBondContact OH-CA 3.48Å; Y196-L220 HydrophobicContact CE1-CD1 3.71Å
197S82.6Confident80.8Confident69 Ų6972.3 Ų72.348%0.48341%0.412SS..THydrogen-bonded Turntrans-55.8-26.5-179.5610000114.2N195 L199N195-S197 WeakPolarHBondContact OD1-CB 3.4Å; N195-S197 PolarHBondContact OD1-N 2.92Å; N195-S197 PolarHBondContact OD1-OG 3.49Å; S197-L199 VanDerWaalsContact C-N 3.32Å
198M79.6Confident81.7Confident152 Ų15275.5 Ų75.575%0.74942%0.423SS*.THydrogen-bonded Turntrans-71.7-27.1174.8-169.6-174.5174.200112.8Y196Y196-M198 PolarHBondContact O-N 2.98Å
199L81.2Confident81.8Confident67 Ų6775 Ų7535%0.35141%0.414SS..THydrogen-bonded Turntrans-96.5-31.8-179-70.3138.9000112.4L169 Y196 S197 W216L169-L199 HydrophobicContact CD1-CD1 3.58Å; L169-L199 HydrophobicContact CD2-CD1 3.41Å; L169-L199 VanDerWaalsContact CD2-CD1 3.41Å; L169-L199 HydrophobicContact CD2-CG 4.31Å; L169-L199 HydrophobicContact CG-CD1 4.13Å; Y196-L199 HydrophobicContact CD1-CD1 3.98Å; Y196-L199 WeakPolarHBondContact O-CA 3.34Å; Y196-L199 WeakPolarHBondContact O-CB 3.12Å; Y196-L199 PolarHBondContact O-N 3.19Å; S197-L199 VanDerWaalsContact C-N 3.32Å; L199-W216 HydrophobicContact CB-CD2 4.24Å; L199-W216 HydrophobicContact CB-CG 4.4Å; L199-W216 HydrophobicContact CB-CZ2 4.21Å; L199-W216 HydrophobicContact CD1-CD2 4.27Å; L199-W216 HydrophobicContact CD1-CE3 4.46Å; L199-W216 HydrophobicContact CD1-CG 4.49Å; L199-W216 HydrophobicContact CD2-CD2 4.06Å; L199-W216 HydrophobicContact CD2-CE3 4.06Å; L199-W216 HydrophobicContact CD2-CH2 3.58Å; L199-W216 HydrophobicContact CD2-CZ2 3.56Å; L199-W216 HydrophobicContact CD2-CZ3 3.83Å; L199-W216 HydrophobicContact CG-CD2 4.44Å; L199-W216 HydrophobicContact CG-CZ2 4.46Å
200V77.8Confident81.5Confident9 Ų978.1 Ų78.16%0.05543%0.43CS..SBendtrans-97.599.7178.5-174.10000106.7Y196 L204 K209 A212 E213Y196-V200 PolarHBondContact O-N 3.4Å; V200-L204 HydrophobicContact CG1-CD1 3.56Å; V200-K209 HydrophobicContact CG1-CB 4.24Å; V200-K209 HydrophobicContact CG1-CG 3.93Å; V200-A212 HydrophobicContact CB-CB 4.43Å; V200-A212 HydrophobicContact CG1-CB 3.81Å; V200-A212 HydrophobicContact CG2-CB 3.69Å; V200-E213 HydrophobicContact CG2-CG 4.37Å
201G68.6Low81.1Confident47 Ų4783.5 Ų83.549%0.48545%0.446SS..  trans-53.1148.2-174.900000113.1E203G201-E203 PolarHBondContact O-N 3.43Å
202A66.4Low80.8Confident111 Ų11184.3 Ų84.392%0.91745%0.453SS*.THydrogen-bonded Turntrans-68.11.7-171.400000115.8
203E73.1Confident80.4Confident199 Ų19986.9 Ų86.993%0.9347%0.465SS*.THydrogen-bonded Turntrans-105.44.3-172.9-62.2-175.5166.200113.8G201G201-E203 PolarHBondContact O-N 3.43Å
204L74.3Confident80.2Confident77 Ų7785.2 Ų85.240%0.40346%0.461SS..SBendtrans-84.4146.4-179-74.8154.7000112V200 E208V200-L204 HydrophobicContact CG1-CD1 3.56Å; L204-E208 HydrophobicContact CB-CB 4.48Å; L204-E208 HydrophobicContact CD2-CB 4.06Å
205E78.6Confident80.2Confident144 Ų14488.7 Ų88.767%0.67347%0.47SS*.  trans-62.1148168.6-72-176.6164.600110.5A207 E208 K209E205-A207 VanDerWaalsContact C-N 3.28Å; E205-A207 PolarHBondContact O-N 2.97Å; E205-E208 HydrophobicContact CB-CG 4.42Å; E205-E208 PolarHBondContact O-N 2.94Å; E205-K209 PolarHBondContact O-N 3.32Å
206E78.2Confident80.3Confident122 Ų12290.3 Ų90.357%0.5747%0.471SS*.Hα-helixtrans-54.8-39.8-174.8-71.9-66.2169.700113E208 K209 D210E206-E208 VanDerWaalsContact C-N 3.33Å; E206-E208 PolarHBondContact O-N 2.71Å; E206-K209 WeakPolarHBondContact O-CB 3.43Å; E206-K209 PolarHBondContact O-N 3.49Å; E206-K209 IonicContact OE1-NZ 3.41Å; E206-K209 PolarHBondContact OE1-NZ 2.92Å; E206-K209 IonicContact OE2-NZ 2.82Å; E206-K209 PolarHBondContact OE2-NZ 2.91Å; E206-D210 PolarHBondContact O-N 3.47Å
207A76.8Confident80.4Confident75 Ų7590.6 Ų90.662%0.6248%0.478SS*.Hα-helixtrans-67.1-30.5177.700000113.7E205E205-A207 VanDerWaalsContact C-N 3.28Å; E205-A207 PolarHBondContact O-N 2.97Å
208E81.8Confident80.8Confident103 Ų10387.6 Ų87.648%0.48146%0.457SS..Hα-helixtrans-78.3-34.6175.3-62.2-172.7124.200111.2L204 E205 E206 A212L204-E208 HydrophobicContact CB-CB 4.48Å; L204-E208 HydrophobicContact CD2-CB 4.06Å; E205-E208 HydrophobicContact CB-CG 4.42Å; E205-E208 PolarHBondContact O-N 2.94Å; E206-E208 VanDerWaalsContact C-N 3.33Å; E206-E208 PolarHBondContact O-N 2.71Å; E208-A212 WeakPolarHBondContact O-CB 3.39Å; E208-A212 PolarHBondContact O-N 2.97Å
209K81.6Confident81.3Confident63 Ų6384 Ų8427%0.27444%0.443SS..Hα-helixtrans-63.4-51.6174.7178.2178.4152.9-141.40111.2V200 E205 E206 R211 A212 E213V200-K209 HydrophobicContact CG1-CB 4.24Å; V200-K209 HydrophobicContact CG1-CG 3.93Å; E205-K209 PolarHBondContact O-N 3.32Å; E206-K209 WeakPolarHBondContact O-CB 3.43Å; E206-K209 PolarHBondContact O-N 3.49Å; E206-K209 IonicContact OE1-NZ 3.41Å; E206-K209 PolarHBondContact OE1-NZ 2.92Å; E206-K209 IonicContact OE2-NZ 2.82Å; E206-K209 PolarHBondContact OE2-NZ 2.91Å; K209-R211 VanDerWaalsContact C-N 3.29Å; K209-R211 PolarHBondContact O-N 3.33Å; K209-A212 CarbonylContact O-C 3.6Å; K209-A212 WeakPolarHBondContact O-CA 3.5Å; K209-A212 WeakPolarHBondContact O-CB 3.2Å; K209-A212 PolarHBondContact O-N 3.02Å; K209-E213 WeakPolarHBondContact O-CG 3.37Å; K209-E213 PolarHBondContact O-N 3.4Å
210D79.8Confident81.8Confident91 Ų9182.5 Ų82.549%0.48744%0.436SS..Hα-helixtrans-54.9-45.8177.7-69.6-19.6000111.7E206 A212 E213 V214E206-D210 PolarHBondContact O-N 3.47Å; D210-A212 VanDerWaalsContact C-N 3.33Å; D210-A212 PolarHBondContact O-N 3.36Å; D210-E213 PolarHBondContact O-N 2.99Å; D210-V214 WeakPolarHBondContact O-CG2 3.5Å; D210-V214 PolarHBondContact O-N 2.97Å
211R84.1Confident82.4Confident177 Ų17783.5 Ų83.567%0.66844%0.443SS*.Hα-helixtrans-59.7-44.2175.3179.2179.9-72.3174.8-0.5111.4K209 V214 W215K209-R211 VanDerWaalsContact C-N 3.29Å; K209-R211 PolarHBondContact O-N 3.33Å; R211-V214 PolarHBondContact O-N 2.73Å; R211-W215 PolarHBondContact O-N 3.37Å
212A85.4Confident83.4Confident25 Ų2586.6 Ų86.621%0.20745%0.448CS..Hα-helixtrans-66.4-37.7179.600000112.4V200 E208 K209 D210 W215 W216V200-A212 HydrophobicContact CB-CB 4.43Å; V200-A212 HydrophobicContact CG1-CB 3.81Å; V200-A212 HydrophobicContact CG2-CB 3.69Å; E208-A212 WeakPolarHBondContact O-CB 3.39Å; E208-A212 PolarHBondContact O-N 2.97Å; K209-A212 CarbonylContact O-C 3.6Å; K209-A212 WeakPolarHBondContact O-CA 3.5Å; K209-A212 WeakPolarHBondContact O-CB 3.2Å; K209-A212 PolarHBondContact O-N 3.02Å; D210-A212 VanDerWaalsContact C-N 3.33Å; D210-A212 PolarHBondContact O-N 3.36Å; A212-W215 PolarHBondContact O-N 2.95Å; A212-W216 PolarHBondContact O-N 2.7Å
213E85.6Confident84.7Confident57 Ų5783.5 Ų83.527%0.26641%0.414SS..Hα-helixtrans-62.2-46.9174.8-63.9-162.3168.800111.5Y196 V200 K209 D210 W215 W216 A217Y196-E213 HydrophobicContact CD2-CB 4.1Å; Y196-E213 HydrophobicContact CD2-CG 4.41Å; V200-E213 HydrophobicContact CG2-CG 4.37Å; K209-E213 WeakPolarHBondContact O-CG 3.37Å; K209-E213 PolarHBondContact O-N 3.4Å; D210-E213 PolarHBondContact O-N 2.99Å; E213-W215 VanDerWaalsContact C-N 3.32Å; E213-W215 PolarHBondContact O-N 3.49Å; E213-W216 PolarHBondContact O-N 2.93Å; E213-A217 WeakPolarHBondContact O-CB 3.3Å; E213-A217 PolarHBondContact O-N 3.22Å
214V86Confident85.5Confident48 Ų4875.2 Ų75.229%0.29138%0.378SS..Hα-helixtrans-58.5-43.9174.6173.60000111D210 R211 A217 A218 E294 L295D210-V214 WeakPolarHBondContact O-CG2 3.5Å; D210-V214 PolarHBondContact O-N 2.97Å; R211-V214 PolarHBondContact O-N 2.73Å; V214-A217 PolarHBondContact O-N 3.2Å; V214-A218 WeakPolarHBondContact O-CB 3.46Å; V214-A218 PolarHBondContact O-N 3.34Å; V214-E294 HydrophobicContact CG1-CB 4.19Å; V214-L295 HydrophobicContact CG1-CD2 4.23Å
215W88.1Confident86.3Confident145 Ų14572.2 Ų72.255%0.54936%0.363SS..Hα-helixtrans-61.4-44.6176.3-86.4112.1000112.9R211 A212 E213 A218 V219 L295R211-W215 PolarHBondContact O-N 3.37Å; A212-W215 PolarHBondContact O-N 2.95Å; E213-W215 VanDerWaalsContact C-N 3.32Å; E213-W215 PolarHBondContact O-N 3.49Å; W215-A218 WeakPolarHBondContact O-CB 3.34Å; W215-A218 PolarHBondContact O-N 3.02Å; W215-V219 VanDerWaalsContact O-CG2 3.31Å; W215-V219 WeakPolarHBondContact O-CG2 3.41Å; W215-V219 PolarHBondContact O-N 3.48Å; W215-L295 HydrophobicContact CD2-CD2 4.4Å; W215-L295 HydrophobicContact CE3-CD2 4.32Å; W215-L295 HydrophobicContact CH2-CD2 4.44Å; W215-L295 HydrophobicContact CZ3-CD2 4.35Å
216W90.3Very high86.9Confident95 Ų9569.9 Ų69.936%0.3635%0.354SS..Hα-helixtrans-66.6-40.4177.7-81.9113.8000112.4Y196 L199 A212 E213 A218 V219 L220Y196-W216 HydrophobicContact CD1-CB 3.52Å; Y196-W216 HydrophobicContact CD1-CG 4.3Å; Y196-W216 HydrophobicContact CE1-CB 3.78Å; Y196-W216 HydrophobicContact CG-CB 4.05Å; L199-W216 HydrophobicContact CB-CD2 4.24Å; L199-W216 HydrophobicContact CB-CG 4.4Å; L199-W216 HydrophobicContact CB-CZ2 4.21Å; L199-W216 HydrophobicContact CD1-CD2 4.27Å; L199-W216 HydrophobicContact CD1-CE3 4.46Å; L199-W216 HydrophobicContact CD1-CG 4.49Å; L199-W216 HydrophobicContact CD2-CD2 4.06Å; L199-W216 HydrophobicContact CD2-CE3 4.06Å; L199-W216 HydrophobicContact CD2-CH2 3.58Å; L199-W216 HydrophobicContact CD2-CZ2 3.56Å; L199-W216 HydrophobicContact CD2-CZ3 3.83Å; L199-W216 HydrophobicContact CG-CD2 4.44Å; L199-W216 HydrophobicContact CG-CZ2 4.46Å; A212-W216 PolarHBondContact O-N 2.7Å; E213-W216 PolarHBondContact O-N 2.93Å; W216-A218 VanDerWaalsContact C-N 3.29Å; W216-A218 PolarHBondContact O-N 3.45Å; W216-V219 PolarHBondContact O-N 3.28Å; W216-L220 WeakPolarHBondContact O-CG 3.49Å; W216-L220 PolarHBondContact O-N 3.28Å
217A88.4Confident87.6Confident26 Ų2666.1 Ų66.122%0.21534%0.338CS..Hα-helixtrans-58.8-43.1172.500000111.5Y196 E213 V214 S221Y196-A217 HydrophobicContact CE2-CB 4.02Å; Y196-A217 WeakPolarHBondContact OH-CA 3.48Å; E213-A217 WeakPolarHBondContact O-CB 3.3Å; E213-A217 PolarHBondContact O-N 3.22Å; V214-A217 PolarHBondContact O-N 3.2Å; A217-S221 VanDerWaalsContact O-CB 3.27Å; A217-S221 WeakPolarHBondContact O-CB 3.33Å; A217-S221 PolarHBondContact O-N 3.49Å; A217-S221 PolarHBondContact O-OG 3.48Å
218A90.3Very high88.1Confident7 Ų762.6 Ų62.66%0.05831%0.309CS..Hα-helixtrans-62.6-49176.200000112.4V214 W215 W216 L220 S221 L222 I291 L295V214-A218 WeakPolarHBondContact O-CB 3.46Å; V214-A218 PolarHBondContact O-N 3.34Å; W215-A218 WeakPolarHBondContact O-CB 3.34Å; W215-A218 PolarHBondContact O-N 3.02Å; W216-A218 VanDerWaalsContact C-N 3.29Å; W216-A218 PolarHBondContact O-N 3.45Å; A218-L220 PolarHBondContact O-N 2.96Å; A218-S221 PolarHBondContact O-N 3.43Å; A218-L222 VanDerWaalsContact O-CB 3.29Å; A218-L222 WeakPolarHBondContact O-CB 3.39Å; A218-L222 PolarHBondContact O-N 3.14Å; A218-I291 HydrophobicContact CB-CG2 3.5Å; A218-L295 HydrophobicContact CB-CD1 3.96Å; A218-L295 HydrophobicContact CB-CD2 4.29Å; A218-L295 HydrophobicContact CB-CG 4.36Å
219V91.3Very high88.5Confident75 Ų7558.7 Ų58.746%0.45529%0.29SS..Hα-helixtrans-58.9-49.2179.5167.50000111.1W215 W216 S221 K223W215-V219 VanDerWaalsContact O-CG2 3.31Å; W215-V219 WeakPolarHBondContact O-CG2 3.41Å; W215-V219 PolarHBondContact O-N 3.48Å; W216-V219 PolarHBondContact O-N 3.28Å; V219-S221 VanDerWaalsContact C-N 3.34Å; V219-S221 PolarHBondContact O-N 3.48Å; V219-K223 WeakPolarHBondContact O-CB 3.32Å; V219-K223 PolarHBondContact O-N 2.72Å
220L90.7Very high88.9Confident37 Ų3759.3 Ų59.319%0.19430%0.296CS..Hα-helixtrans-65.6-38.8-178.6-70.2-178.7000112.4P165 L169 Y196 W216 A218 S224P165-L220 HydrophobicContact CB-CD1 4.21Å; P165-L220 HydrophobicContact CB-CD2 3.95Å; P165-L220 HydrophobicContact CG-CD2 4.03Å; L169-L220 HydrophobicContact CD1-CD1 3.59Å; Y196-L220 HydrophobicContact CE1-CD1 3.71Å; W216-L220 WeakPolarHBondContact O-CG 3.49Å; W216-L220 PolarHBondContact O-N 3.28Å; A218-L220 PolarHBondContact O-N 2.96Å; L220-S224 WeakPolarHBondContact O-CB 3.44Å; L220-S224 PolarHBondContact O-N 3.37Å
221S90.1Very high89.4Confident30 Ų3059.1 Ų59.121%0.2130%0.295CS..Hα-helixtrans-72.4-42.2179.7-60.20000112A217 A218 V219 K223 S224 T225 I291A217-S221 VanDerWaalsContact O-CB 3.27Å; A217-S221 WeakPolarHBondContact O-CB 3.33Å; A217-S221 PolarHBondContact O-N 3.49Å; A217-S221 PolarHBondContact O-OG 3.48Å; A218-S221 PolarHBondContact O-N 3.43Å; V219-S221 VanDerWaalsContact C-N 3.34Å; V219-S221 PolarHBondContact O-N 3.48Å; S221-K223 VanDerWaalsContact C-N 3.33Å; S221-K223 PolarHBondContact O-N 3.25Å; S221-S224 WeakPolarHBondContact O-CA 3.32Å; S221-S224 WeakPolarHBondContact O-CB 3.23Å; S221-S224 PolarHBondContact O-N 2.86Å; S221-S224 VanDerWaalsContact O-N 3.09Å; S221-T225 PolarHBondContact O-N 3.08Å; S221-T225 PolarHBondContact O-OG1 3.12Å; S221-I291 WeakPolarHBondContact OG-CD1 3.19Å
222L90.6Very high89.5Confident112 Ų11250.8 Ų50.859%0.58626%0.263SS*.Hα-helixtrans-62.7-42.4173.9-177.761000110.9A218 S224 T225 L226A218-L222 VanDerWaalsContact O-CB 3.29Å; A218-L222 WeakPolarHBondContact O-CB 3.39Å; A218-L222 PolarHBondContact O-N 3.14Å; L222-S224 VanDerWaalsContact C-N 3.27Å; L222-S224 PolarHBondContact O-N 2.87Å; L222-T225 PolarHBondContact O-N 2.95Å; L222-L226 VanDerWaalsContact O-CB 3.27Å; L222-L226 WeakPolarHBondContact O-CB 3.47Å; L222-L226 PolarHBondContact O-N 3.3Å
223K92.8Very high89.7Confident46 Ų4652.1 Ų52.120%0.227%0.267CS..Hα-helixtrans-57.5-42.6171.8172.7-95.9168.4173.40111.3Y113 L162 V219 S221 I227Y113-K223 VanDerWaalsContact CZ-NZ 3.26Å; Y113-K223 WeakPolarHBondContact OH-CE 3.34Å; Y113-K223 PolarHBondContact OH-NZ 3.39Å; L162-K223 VanDerWaalsContact CD2-CE 3.42Å; L162-K223 PolarHBondContact O-NZ 2.99Å; V219-K223 WeakPolarHBondContact O-CB 3.32Å; V219-K223 PolarHBondContact O-N 2.72Å; S221-K223 VanDerWaalsContact C-N 3.33Å; S221-K223 PolarHBondContact O-N 3.25Å; K223-I227 HydrophobicContact CG-CD1 3.96Å; K223-I227 WeakPolarHBondContact O-CB 3.35Å; K223-I227 PolarHBondContact O-N 3.41Å
224S90.6Very high89.8Confident25 Ų2553.4 Ų53.418%0.17528%0.278CS..Hα-helixtrans-62.8-48.5177.6-174.40000111.6M112 Y113 L220 S221 L222 G228M112-S224 WeakPolarHBondContact CE-OG 3.3Å; Y113-S224 WeakPolarHBondContact OH-CA 3.48Å; L220-S224 WeakPolarHBondContact O-CB 3.44Å; L220-S224 PolarHBondContact O-N 3.37Å; S221-S224 WeakPolarHBondContact O-CA 3.32Å; S221-S224 WeakPolarHBondContact O-CB 3.23Å; S221-S224 PolarHBondContact O-N 2.86Å; S221-S224 VanDerWaalsContact O-N 3.09Å; L222-S224 VanDerWaalsContact C-N 3.27Å; L222-S224 PolarHBondContact O-N 2.87Å; S224-G228 WeakPolarHBondContact O-CA 3.47Å; S224-G228 PolarHBondContact O-N 3.44Å
225T91.4Very high89.9Confident14 Ų1453.8 Ų53.89%0.08628%0.278CS..Hα-helixtrans-63.9-43.2177.8-58.80000111.7S221 L222 F229 L230 T288S221-T225 PolarHBondContact O-N 3.08Å; S221-T225 PolarHBondContact O-OG1 3.12Å; L222-T225 PolarHBondContact O-N 2.95Å; T225-F229 VanDerWaalsContact O-CB 3.29Å; T225-F229 WeakPolarHBondContact O-CB 3.16Å; T225-F229 PolarHBondContact O-N 3.25Å; T225-L230 HydrophobicContact CG2-CD1 4.41Å; T225-L230 HydrophobicContact CG2-CG 4.41Å; T225-L230 PolarHBondContact O-N 3.41Å; T225-T288 PolarHBondContact OG1-OG1 3.39Å
226L92.1Very high89.6Confident94 Ų9447.2 Ų47.249%0.49225%0.254SS..Iπ-helixtrans-66.9-51.3-177.3-176.463.7000111.9L222 L230 L231L222-L226 VanDerWaalsContact O-CB 3.27Å; L222-L226 WeakPolarHBondContact O-CB 3.47Å; L222-L226 PolarHBondContact O-N 3.3Å; L226-L230 HydrophobicContact CD1-CB 4.38Å; L226-L230 HydrophobicContact CD1-CD1 4.19Å; L226-L230 PolarHBondContact O-N 3.37Å; L226-L231 WeakPolarHBondContact O-CB 3.47Å; L226-L231 PolarHBondContact O-N 3.49Å
227I92.3Very high89.4Confident44 Ų4447.2 Ų47.223%0.22626%0.261CS..Iπ-helixtrans-85.2-39.1-173.6-57.9-179.1000111.5Y113 F117 L162 K223 P232Y113-I227 HydrophobicContact CE1-CB 4.41Å; Y113-I227 HydrophobicContact CE1-CG2 4.23Å; F117-I227 HydrophobicContact CE1-CG2 4.32Å; F117-I227 HydrophobicContact CZ-CG2 3.97Å; L162-I227 HydrophobicContact CD1-CG2 3.77Å; L162-I227 HydrophobicContact CD2-CD1 3.99Å; K223-I227 HydrophobicContact CG-CD1 3.96Å; K223-I227 WeakPolarHBondContact O-CB 3.35Å; K223-I227 PolarHBondContact O-N 3.41Å; I227-P232 WeakPolarHBondContact O-CD 3.48Å; I227-P232 WeakPolarHBondContact O-CG 3.44Å
228G87.1Confident89.3Confident1 Ų150.5 Ų50.51%0.0128%0.278CS..Iπ-helixtrans-81.3-18.8-176.200000114.2S224S224-G228 WeakPolarHBondContact O-CA 3.47Å; S224-G228 PolarHBondContact O-N 3.44Å
229F89.4Confident89Confident21 Ų2150.8 Ų50.89%0.09228%0.279CS..Iπ-helixtrans-131.6-60.6-174.9-171.6-91.1000113.1T225 P232 L233 F277 W280 M281 N284T225-F229 VanDerWaalsContact O-CB 3.29Å; T225-F229 WeakPolarHBondContact O-CB 3.16Å; T225-F229 PolarHBondContact O-N 3.25Å; F229-P232 WeakPolarHBondContact O-CD 3.46Å; F229-L233 HydrophobicContact CE1-CD2 4.32Å; F229-L233 WeakPolarHBondContact O-CB 3.08Å; F229-L233 PolarHBondContact O-N 3.45Å; F229-F277 AromaticContact CD2-CD1 3.83Å; F229-F277 HydrophobicContact CD2-CD1 3.83Å; F229-F277 AromaticContact CD2-CE1 3.94Å; F229-F277 HydrophobicContact CD2-CE1 3.94Å; F229-F277 HydrophobicContact CE1-CD1 4.31Å; F229-F277 AromaticContact CE2-CD1 3.38Å; F229-F277 HydrophobicContact CE2-CD1 3.38Å; F229-F277 AromaticContact CE2-CE1 3.97Å; F229-F277 HydrophobicContact CE2-CE1 3.97Å; F229-F277 HydrophobicContact CE2-CG 4.42Å; F229-F277 HydrophobicContact CG-CD1 4.46Å; F229-F277 HydrophobicContact CG-CE1 4.25Å; F229-F277 AromaticContact CZ-CD1 3.65Å; F229-F277 HydrophobicContact CZ-CD1 3.65Å; F229-F277 HydrophobicContact CZ-CE1 4.27Å; F229-F277 WeakPolarHBondContact O-CE1 3.46Å; F229-W280 HydrophobicContact CD2-CB 4.33Å; F229-W280 HydrophobicContact CE2-CB 4.46Å; F229-M281 HydrophobicContact CE2-CB 3.81Å; F229-M281 HydrophobicContact CZ-CB 3.71Å; F229-M281 HydrophobicContact CZ-CG 4.04Å; F229-N284 HydrophobicContact CD2-CB 4.45Å; F229-N284 HydrophobicContact CG-CB 4.43Å
230L90.8Very high88.5Confident76 Ų7649.5 Ų49.540%0.39827%0.266SS..Iπ-helixtrans-68-47.5-171.4-66.4176.8000113.7T225 L226 L233 V234T225-L230 HydrophobicContact CG2-CD1 4.41Å; T225-L230 HydrophobicContact CG2-CG 4.41Å; T225-L230 PolarHBondContact O-N 3.41Å; L226-L230 HydrophobicContact CD1-CB 4.38Å; L226-L230 HydrophobicContact CD1-CD1 4.19Å; L226-L230 PolarHBondContact O-N 3.37Å; L230-L233 WeakPolarHBondContact O-CB 3.47Å; L230-L233 PolarHBondContact O-N 2.93Å; L230-V234 WeakPolarHBondContact O-CG2 3.39Å; L230-V234 PolarHBondContact O-N 2.82Å
231L89.3Confident88.1Confident87 Ų8751.7 Ų51.746%0.45528%0.284SS..Hα-helixtrans-59.2-51.1179.5168.873.2000111.7L226 L233 V234 I235L226-L231 WeakPolarHBondContact O-CB 3.47Å; L226-L231 PolarHBondContact O-N 3.49Å; L231-L233 VanDerWaalsContact C-N 3.33Å; L231-L233 PolarHBondContact O-N 2.93Å; L231-V234 PolarHBondContact O-N 3.03Å; L231-I235 HydrophobicContact CD1-CD1 4.12Å; L231-I235 HydrophobicContact CD1-CG1 4.44Å; L231-I235 HydrophobicContact CG-CD1 4.07Å; L231-I235 WeakPolarHBondContact O-CG1 3.4Å; L231-I235 PolarHBondContact O-N 3.31Å
232P86.7Confident87.7Confident1 Ų152.3 Ų52.31%0.00629%0.288CS..Hα-helixtrans-57.2-42.3172.9-28.936.5000113.7V116 I227 F229 V234 I235 L236 F277V116-P232 HydrophobicContact CB-CG 4.27Å; V116-P232 HydrophobicContact CG1-CG 3.87Å; V116-P232 HydrophobicContact CG2-CB 3.34Å; V116-P232 HydrophobicContact CG2-CG 3.37Å; I227-P232 WeakPolarHBondContact O-CD 3.48Å; I227-P232 WeakPolarHBondContact O-CG 3.44Å; F229-P232 WeakPolarHBondContact O-CD 3.46Å; P232-V234 VanDerWaalsContact C-N 3.33Å; P232-V234 PolarHBondContact O-N 3.25Å; P232-I235 PolarHBondContact O-N 3.1Å; P232-L236 WeakPolarHBondContact O-CB 3.42Å; P232-L236 VanDerWaalsContact O-CD1 3.28Å; P232-L236 WeakPolarHBondContact O-CD1 3.45Å; P232-L236 WeakPolarHBondContact O-CG 3.28Å; P232-L236 PolarHBondContact O-N 3.25Å; P232-F277 HydrophobicContact CB-CZ 4.23Å
233L88.9Confident86.8Confident53 Ų5347.2 Ų47.228%0.27726%0.261SS..Hα-helixtrans-57.4-47.4177.5-176.763.1000111F229 L230 L231 L236 L237 F277F229-L233 HydrophobicContact CE1-CD2 4.32Å; F229-L233 WeakPolarHBondContact O-CB 3.08Å; F229-L233 PolarHBondContact O-N 3.45Å; L230-L233 WeakPolarHBondContact O-CB 3.47Å; L230-L233 PolarHBondContact O-N 2.93Å; L231-L233 VanDerWaalsContact C-N 3.33Å; L231-L233 PolarHBondContact O-N 2.93Å; L233-L236 PolarHBondContact O-N 3.47Å; L233-L237 HydrophobicContact CD1-CD1 4.35Å; L233-L237 HydrophobicContact CD1-CG 4.38Å; L233-L237 HydrophobicContact CG-CD1 4.01Å; L233-L237 HydrophobicContact CG-CG 4.44Å; L233-L237 WeakPolarHBondContact O-CB 3.14Å; L233-L237 VanDerWaalsContact O-CG 3.26Å; L233-L237 WeakPolarHBondContact O-CG 3.19Å; L233-L237 PolarHBondContact O-N 2.87Å; L233-F277 HydrophobicContact CB-CD1 4.43Å; L233-F277 HydrophobicContact CB-CE1 3.6Å; L233-F277 HydrophobicContact CB-CZ 3.77Å; L233-F277 HydrophobicContact CD1-CD1 3.96Å; L233-F277 HydrophobicContact CD1-CD2 4.32Å; L233-F277 HydrophobicContact CD1-CE1 3.86Å; L233-F277 HydrophobicContact CD1-CE2 4.25Å; L233-F277 HydrophobicContact CD1-CG 4.23Å; L233-F277 HydrophobicContact CD1-CZ 4.01Å; L233-F277 HydrophobicContact CG-CE1 4.22Å
234V89.6Confident86Confident84 Ų8447.7 Ų47.751%0.50927%0.274SS..Hα-helixtrans-61.8-46.9177.9172.20000111.2L230 L231 P232 L236 L237 V238L230-V234 WeakPolarHBondContact O-CG2 3.39Å; L230-V234 PolarHBondContact O-N 2.82Å; L231-V234 PolarHBondContact O-N 3.03Å; P232-V234 VanDerWaalsContact C-N 3.33Å; P232-V234 PolarHBondContact O-N 3.25Å; V234-L236 PolarHBondContact O-N 2.94Å; V234-L237 PolarHBondContact O-N 3.37Å; V234-V238 HydrophobicContact CG1-CG2 4.39Å; V234-V238 WeakPolarHBondContact O-CB 3.32Å; V234-V238 VanDerWaalsContact O-CG2 3.31Å; V234-V238 WeakPolarHBondContact O-CG2 3.3Å; V234-V238 PolarHBondContact O-N 3.21Å
235I86.6Confident85.1Confident57 Ų5749.5 Ų49.529%0.29229%0.285SS..Hα-helixtrans-55.7-44.4177.4-69.2167.4000110.3V124 L231 P232 V238 C239V124-I235 HydrophobicContact CG2-CG2 4Å; L231-I235 HydrophobicContact CD1-CD1 4.12Å; L231-I235 HydrophobicContact CD1-CG1 4.44Å; L231-I235 HydrophobicContact CG-CD1 4.07Å; L231-I235 WeakPolarHBondContact O-CG1 3.4Å; L231-I235 PolarHBondContact O-N 3.31Å; P232-I235 PolarHBondContact O-N 3.1Å; I235-V238 PolarHBondContact O-N 2.94Å; I235-C239 WeakPolarHBondContact O-CB 3.33Å; I235-C239 PolarHBondContact O-N 3.45Å; I235-C239 PolarHBondContact O-SG 3.38Å
236L82.2Confident84Confident6 Ų651 Ų513%0.03129%0.293CS..Hα-helixtrans-70.2-45.6-177.6-66.2164.6000111.7S123 P232 L233 V234 V238 C239 Y240 V273 F277S123-L236 WeakPolarHBondContact OG-CD2 3.3Å; P232-L236 WeakPolarHBondContact O-CB 3.42Å; P232-L236 VanDerWaalsContact O-CD1 3.28Å; P232-L236 WeakPolarHBondContact O-CD1 3.45Å; P232-L236 WeakPolarHBondContact O-CG 3.28Å; P232-L236 PolarHBondContact O-N 3.25Å; L233-L236 PolarHBondContact O-N 3.47Å; V234-L236 PolarHBondContact O-N 2.94Å; L236-V238 VanDerWaalsContact C-N 3.31Å; L236-V238 PolarHBondContact O-N 3.42Å; L236-C239 PolarHBondContact O-N 3.41Å; L236-Y240 HydrophobicContact CB-CD2 4.2Å; L236-Y240 HydrophobicContact CB-CE2 4.18Å; L236-Y240 HydrophobicContact CD2-CE2 3.81Å; L236-Y240 WeakPolarHBondContact O-CB 3.47Å; L236-Y240 WeakPolarHBondContact O-CD2 3.44Å; L236-Y240 PolarHBondContact O-N 2.88Å; L236-V273 HydrophobicContact CD1-CG1 3.73Å; L236-V273 HydrophobicContact CD1-CG2 4.12Å; L236-V273 HydrophobicContact CD2-CG1 4.47Å; L236-V273 HydrophobicContact CD2-CG2 3.91Å; L236-F277 HydrophobicContact CD1-CE2 3.38Å; L236-F277 HydrophobicContact CD1-CZ 3.86Å
237L86.6Confident82.8Confident96 Ų9648.2 Ų48.250%0.50328%0.278SS..Hα-helixtrans-56.3-47.6174.6-72.5172.6000110.5L233 V234 C239 Y240 C241L233-L237 HydrophobicContact CD1-CD1 4.35Å; L233-L237 HydrophobicContact CD1-CG 4.38Å; L233-L237 HydrophobicContact CG-CD1 4.01Å; L233-L237 HydrophobicContact CG-CG 4.44Å; L233-L237 WeakPolarHBondContact O-CB 3.14Å; L233-L237 VanDerWaalsContact O-CG 3.26Å; L233-L237 WeakPolarHBondContact O-CG 3.19Å; L233-L237 PolarHBondContact O-N 2.87Å; V234-L237 PolarHBondContact O-N 3.37Å; L237-C239 PolarHBondContact O-N 3.44Å; L237-Y240 PolarHBondContact O-N 2.64Å; L237-C241 WeakPolarHBondContact O-CB 3.41Å; L237-C241 PolarHBondContact O-N 2.9Å; L237-C241 PolarHBondContact O-SG 3.18Å
238V86.7Confident81.7Confident95 Ų9550.4 Ų50.458%0.57630%0.297SS*.Hα-helixtrans-61.4-47.1176.7172.70000111.3V234 I235 L236 Y240 S242V234-V238 HydrophobicContact CG1-CG2 4.39Å; V234-V238 WeakPolarHBondContact O-CB 3.32Å; V234-V238 VanDerWaalsContact O-CG2 3.31Å; V234-V238 WeakPolarHBondContact O-CG2 3.3Å; V234-V238 PolarHBondContact O-N 3.21Å; I235-V238 PolarHBondContact O-N 2.94Å; L236-V238 VanDerWaalsContact C-N 3.31Å; L236-V238 PolarHBondContact O-N 3.42Å; V238-Y240 PolarHBondContact O-N 3.04Å; V238-S242 VanDerWaalsContact O-CB 3.25Å; V238-S242 WeakPolarHBondContact O-CB 3.45Å; V238-S242 PolarHBondContact O-N 3.35Å; V238-S242 PolarHBondContact O-OG 2.93Å
239C83.2Confident80.7Confident13 Ų1360.3 Ų60.39%0.08833%0.334CS..Hα-helixtrans-62.6-42.6-179.6-71.80000112.6I235 L236 L237 S242 L243I235-C239 WeakPolarHBondContact O-CB 3.33Å; I235-C239 PolarHBondContact O-N 3.45Å; I235-C239 PolarHBondContact O-SG 3.38Å; L236-C239 PolarHBondContact O-N 3.41Å; L237-C239 PolarHBondContact O-N 3.44Å; C239-S242 PolarHBondContact O-OG 3.27Å; C239-S242 VanDerWaalsContact O-OG 3.05Å; C239-L243 VanDerWaalsContact O-CB 3.26Å; C239-L243 WeakPolarHBondContact O-CB 3.45Å; C239-L243 PolarHBondContact O-N 3.41Å
240Y81.4Confident79.1Confident47 Ų4765.3 Ų65.318%0.18436%0.358CS..Hα-helixtrans-82.2-38.7-177-69.9-61.7000113S123 L236 L237 V238 S242 L243 A244 L266 I269 V270S123-Y240 PolarHBondContact OG-OH 3.03Å; L236-Y240 HydrophobicContact CB-CD2 4.2Å; L236-Y240 HydrophobicContact CB-CE2 4.18Å; L236-Y240 HydrophobicContact CD2-CE2 3.81Å; L236-Y240 WeakPolarHBondContact O-CB 3.47Å; L236-Y240 WeakPolarHBondContact O-CD2 3.44Å; L236-Y240 PolarHBondContact O-N 2.88Å; L237-Y240 PolarHBondContact O-N 2.64Å; V238-Y240 PolarHBondContact O-N 3.04Å; Y240-S242 VanDerWaalsContact C-N 3.31Å; Y240-S242 PolarHBondContact O-N 3.01Å; Y240-L243 HydrophobicContact CD1-CD2 4.41Å; Y240-L243 PolarHBondContact O-N 3.29Å; Y240-L243 VanDerWaalsContact O-N 3.13Å; Y240-A244 PolarHBondContact O-N 2.95Å; Y240-L266 HydrophobicContact CD1-CD1 4.15Å; Y240-L266 HydrophobicContact CE1-CD1 3.59Å; Y240-I269 WeakPolarHBondContact OH-CG2 3.36Å; Y240-V270 HydrophobicContact CD1-CG2 3.95Å; Y240-V270 HydrophobicContact CE1-CG2 3.44Å; Y240-V270 VanDerWaalsContact CE1-CG2 3.44Å; Y240-V270 HydrophobicContact CE2-CG2 4.45Å
241C82.7Confident77.5Confident84 Ų8463.1 Ų63.157%0.56835%0.345SS*.Hα-helixtrans-63.1-38.9174.2-70.10000111.3L237 L243 P245L237-C241 WeakPolarHBondContact O-CB 3.41Å; L237-C241 PolarHBondContact O-N 2.9Å; L237-C241 PolarHBondContact O-SG 3.18Å; C241-L243 VanDerWaalsContact C-N 3.3Å; C241-L243 PolarHBondContact O-N 2.75Å; C241-P245 WeakPolarHBondContact O-CD 3.22Å
242S79.8Confident75.8Confident43 Ų4361.5 Ų61.530%0.30135%0.35SS..Hα-helixtrans-72.2-24.2174.759.50000113.3Y127 V238 C239 Y240Y127-S242 WeakPolarHBondContact CE2-OG 3.07Å; V238-S242 VanDerWaalsContact O-CB 3.25Å; V238-S242 WeakPolarHBondContact O-CB 3.45Å; V238-S242 PolarHBondContact O-N 3.35Å; V238-S242 PolarHBondContact O-OG 2.93Å; C239-S242 PolarHBondContact O-OG 3.27Å; C239-S242 VanDerWaalsContact O-OG 3.05Å; Y240-S242 VanDerWaalsContact C-N 3.31Å; Y240-S242 PolarHBondContact O-N 3.01Å
243L73.6Confident74.1Confident4 Ų470.3 Ų70.32%0.02139%0.39CS..Hα-helixtrans-80.1-29.6176.7-169.671.6000113.1L130 C239 Y240 C241 L246 L247 L266L130-L243 HydrophobicContact CB-CD1 3.43Å; L130-L243 VanDerWaalsContact CB-CD1 3.43Å; L130-L243 HydrophobicContact CD1-CD1 3.46Å; L130-L243 VanDerWaalsContact CD1-CD1 3.46Å; L130-L243 HydrophobicContact CD1-CD2 3.54Å; L130-L243 HydrophobicContact CD1-CG 4.08Å; L130-L243 HydrophobicContact CG-CD1 4.04Å; C239-L243 VanDerWaalsContact O-CB 3.26Å; C239-L243 WeakPolarHBondContact O-CB 3.45Å; C239-L243 PolarHBondContact O-N 3.41Å; Y240-L243 HydrophobicContact CD1-CD2 4.41Å; Y240-L243 PolarHBondContact O-N 3.29Å; Y240-L243 VanDerWaalsContact O-N 3.13Å; C241-L243 VanDerWaalsContact C-N 3.3Å; C241-L243 PolarHBondContact O-N 2.75Å; L243-L246 HydrophobicContact CD1-CD2 4.27Å; L243-L246 WeakPolarHBondContact O-CB 3.39Å; L243-L246 PolarHBondContact O-N 3.48Å; L243-L247 HydrophobicContact CD2-CD1 3.9Å; L243-L247 HydrophobicContact CG-CD1 3.75Å; L243-L247 HydrophobicContact CG-CG 4.13Å; L243-L247 WeakPolarHBondContact O-CB 3.1Å; L243-L247 WeakPolarHBondContact O-CG 3.41Å; L243-L247 PolarHBondContact O-N 2.85Å; L243-L266 HydrophobicContact CD2-CD1 3.44Å; L243-L266 VanDerWaalsContact CD2-CD1 3.44Å; L243-L266 HydrophobicContact CD2-CD2 3.72Å; L243-L266 HydrophobicContact CD2-CG 4.24Å
244A74.1Confident72.4Confident56 Ų5669.1 Ų69.146%0.46339%0.391SS..Hα-helixtrans-60.3-46-177.200000114Y240 L246 L247 S248Y240-A244 PolarHBondContact O-N 2.95Å; A244-L246 VanDerWaalsContact C-N 3.29Å; A244-L246 PolarHBondContact O-N 2.98Å; A244-L247 PolarHBondContact O-N 3.35Å; A244-S248 PolarHBondContact O-N 3.18Å; A244-S248 PolarHBondContact O-OG 3.45Å
245P72.3Confident70.7Confident64 Ų6470.3 Ų70.342%0.41640%0.4SS..Hα-helixtrans-65.1-31.8174.1-21.531.8000113.2C241 S248 R249C241-P245 WeakPolarHBondContact O-CD 3.22Å; P245-S248 WeakPolarHBondContact CA-OG 3.2Å; P245-S248 PolarHBondContact O-OG 2.84Å; P245-R249 WeakPolarHBondContact O-CB 3.07Å; P245-R249 VanDerWaalsContact O-CG 3.3Å; P245-R249 WeakPolarHBondContact O-CG 3.49Å; P245-R249 PolarHBondContact O-N 2.87Å
246L68.3Low69.1Low46 Ų4677.7 Ų77.724%0.24142%0.424CS..Hα-helixtrans-72.8-39.7178-17074.3000111.1L130 T131 L243 A244 S248 H250L130-L246 VanDerWaalsContact O-CD2 3.3Å; L130-L246 WeakPolarHBondContact O-CD2 3.28Å; T131-L246 HydrophobicContact CG2-CD2 3.81Å; L243-L246 HydrophobicContact CD1-CD2 4.27Å; L243-L246 WeakPolarHBondContact O-CB 3.39Å; L243-L246 PolarHBondContact O-N 3.48Å; A244-L246 VanDerWaalsContact C-N 3.29Å; A244-L246 PolarHBondContact O-N 2.98Å; L246-S248 VanDerWaalsContact C-N 3.32Å; L246-S248 PolarHBondContact O-N 3.41Å; L246-H250 HydrophobicContact CD1-CB 4.15Å; L246-H250 HydrophobicContact CG-CB 4.32Å; L246-H250 WeakPolarHBondContact O-CA 3.46Å; L246-H250 WeakPolarHBondContact O-CB 3.26Å; L246-H250 PolarHBondContact O-N 2.98Å
247L66.9Low67.7Low35 Ų3582.4 Ų82.418%0.18346%0.456CS..Hα-helixtrans-62.6-38.8173.2-80162000111.8L243 A244 F251 L266L243-L247 HydrophobicContact CD2-CD1 3.9Å; L243-L247 HydrophobicContact CG-CD1 3.75Å; L243-L247 HydrophobicContact CG-CG 4.13Å; L243-L247 WeakPolarHBondContact O-CB 3.1Å; L243-L247 WeakPolarHBondContact O-CG 3.41Å; L243-L247 PolarHBondContact O-N 2.85Å; A244-L247 PolarHBondContact O-N 3.35Å; L247-F251 HydrophobicContact CD2-CD2 3.69Å; L247-F251 HydrophobicContact CD2-CE1 4.46Å; L247-F251 HydrophobicContact CD2-CE2 3.47Å; L247-F251 VanDerWaalsContact CD2-CE2 3.47Å; L247-F251 HydrophobicContact CD2-CG 4.28Å; L247-F251 HydrophobicContact CD2-CZ 3.91Å; L247-F251 HydrophobicContact CG-CD2 4.44Å; L247-F251 HydrophobicContact CG-CE2 4.3Å; L247-F251 WeakPolarHBondContact O-CB 3.46Å; L247-L266 HydrophobicContact CD1-CD2 3.66Å; L247-L266 HydrophobicContact CD2-CD2 4.41Å
248S68.8Low66.6Low90 Ų9081.5 Ų81.563%0.62945%0.451SS*.Hα-helixtrans-74.8-41.1179.261.70000112.8A244 P245 L246A244-S248 PolarHBondContact O-N 3.18Å; A244-S248 PolarHBondContact O-OG 3.45Å; P245-S248 WeakPolarHBondContact CA-OG 3.2Å; P245-S248 PolarHBondContact O-OG 2.84Å; L246-S248 VanDerWaalsContact C-N 3.32Å; L246-S248 PolarHBondContact O-N 3.41Å
249R66.2Low65.6Low209 Ų20979 Ų7979%0.78943%0.431SS*.Hα-helixtrans-83.6-42.7-177.2-66.5178.9177.6-171.5-0.3113.9P245P245-R249 WeakPolarHBondContact O-CB 3.07Å; P245-R249 VanDerWaalsContact O-CG 3.3Å; P245-R249 WeakPolarHBondContact O-CG 3.49Å; P245-R249 PolarHBondContact O-N 2.87Å
250H56.9Low64.9Low125 Ų12587.6 Ų87.658%0.57946%0.462SS*.Hα-helixtrans-91-32-166.8-145.473.8000112.9L246 G252 H253 R259L246-H250 HydrophobicContact CD1-CB 4.15Å; L246-H250 HydrophobicContact CG-CB 4.32Å; L246-H250 WeakPolarHBondContact O-CA 3.46Å; L246-H250 WeakPolarHBondContact O-CB 3.26Å; L246-H250 PolarHBondContact O-N 2.98Å; H250-G252 PolarHBondContact O-N 2.94Å; H250-G252 VanDerWaalsContact O-N 3.1Å; H250-H253 PolarHBondContact O-N 3.5Å; H250-R259 PolarHBondContact O-NH2 3.5Å
251F57.4Low64.3Low30 Ų3091.4 Ų91.413%0.13248%0.476CS..THydrogen-bonded Turntrans-75.87.7179.7-75.5-107.3000114.6L130 L247 R259 R263L130-F251 HydrophobicContact CD2-CE2 4.4Å; L130-F251 HydrophobicContact CD2-CZ 3.91Å; L247-F251 HydrophobicContact CD2-CD2 3.69Å; L247-F251 HydrophobicContact CD2-CE1 4.46Å; L247-F251 HydrophobicContact CD2-CE2 3.47Å; L247-F251 VanDerWaalsContact CD2-CE2 3.47Å; L247-F251 HydrophobicContact CD2-CG 4.28Å; L247-F251 HydrophobicContact CD2-CZ 3.91Å; L247-F251 HydrophobicContact CG-CD2 4.44Å; L247-F251 HydrophobicContact CG-CE2 4.3Å; L247-F251 WeakPolarHBondContact O-CB 3.46Å; F251-R259 HydrophobicContact CD1-CB 3.76Å; F251-R259 HydrophobicContact CD1-CG 3.55Å; F251-R259 HydrophobicContact CE1-CB 3.59Å; F251-R259 HydrophobicContact CE1-CG 3.47Å; F251-R259 VanDerWaalsContact CE1-CG 3.47Å; F251-R259 PolarHBondContact O-NH1 3.05Å; F251-R263 VanDerWaalsContact CB-NH2 3.27Å; F251-R263 HydrophobicContact CE1-CG 4.34Å
252G53.2Low63.8Low54 Ų5489.1 Ų89.156%0.55746%0.457SS*.THydrogen-bonded Turntrans-75.5-3316900000114.7H250H250-G252 PolarHBondContact O-N 2.94Å; H250-G252 VanDerWaalsContact O-N 3.1Å
253H51.6Low63.5Low185 Ų18593 Ų9386%0.85647%0.465SS*.SBendtrans-135.841-157.6-68.789.7000117.4H250H250-H253 PolarHBondContact O-N 3.5Å
254G52.9Low63.7Low28 Ų2897.4 Ų97.429%0.28948%0.482SS..SBendtrans-155.9176-177.100000114.8R256 R259G254-R256 PolarHBondContact O-N 2.69Å; G254-R259 VanDerWaalsContact CA-CZ 3.43Å; G254-R259 PolarHBondContact O-NH1 2.92Å
255P53.9Low63.8Low110 Ų11096.1 Ų96.171%0.71447%0.467SS*.  trans-57.9132-164.6-2432.6000114.2R259P255-R259 WeakPolarHBondContact O-CD 3.33Å; P255-R259 WeakPolarHBondContact O-CG 3.48Å
256R52.9Low64.1Low211 Ų21194 Ų9480%0.79645%0.452SS*.Hα-helixtrans-70.6-34.7-166.8-66178.8176.1171.1-1.2117.7G254G254-R256 PolarHBondContact O-N 2.69Å
257P51.9Low64.8Low106 Ų10699.8 Ų99.869%0.68847%0.471SS*.Hα-helixtrans-75.9-41.5-169.424.1-29.4000114.4R259 R260P257-R259 VanDerWaalsContact C-N 3.29Å; P257-R259 PolarHBondContact O-N 2.8Å; P257-R260 PolarHBondContact O-N 3.3Å
258D63Low65.6Low77 Ų7798.5 Ų98.541%0.41246%0.464SS..Hα-helixtrans-69.5-30.3-178-148.712.9000111.9R260 R261 Q262D258-R260 PolarHBondContact O-N 3.12Å; D258-R261 PolarHBondContact O-N 2.92Å; D258-Q262 WeakPolarHBondContact O-CB 3.3Å; D258-Q262 VanDerWaalsContact O-CG 3.32Å; D258-Q262 WeakPolarHBondContact O-CG 3.22Å; D258-Q262 PolarHBondContact O-N 3.23Å
259R65.9Low66.3Low41 Ų4194.4 Ų94.416%0.15544%0.435CS..Hα-helixtrans-62.5-41.2175.3-69.2-179.7169-167.5-6113.6H250 F251 G254 P255 P257 Q262 R263H250-R259 PolarHBondContact O-NH2 3.5Å; F251-R259 HydrophobicContact CD1-CB 3.76Å; F251-R259 HydrophobicContact CD1-CG 3.55Å; F251-R259 HydrophobicContact CE1-CB 3.59Å; F251-R259 HydrophobicContact CE1-CG 3.47Å; F251-R259 VanDerWaalsContact CE1-CG 3.47Å; F251-R259 PolarHBondContact O-NH1 3.05Å; G254-R259 VanDerWaalsContact CA-CZ 3.43Å; G254-R259 PolarHBondContact O-NH1 2.92Å; P255-R259 WeakPolarHBondContact O-CD 3.33Å; P255-R259 WeakPolarHBondContact O-CG 3.48Å; P257-R259 VanDerWaalsContact C-N 3.29Å; P257-R259 PolarHBondContact O-N 2.8Å; R259-Q262 PolarHBondContact O-N 3.05Å; R259-R263 WeakPolarHBondContact O-CB 3.46Å; R259-R263 WeakPolarHBondContact O-CG 3.48Å; R259-R263 PolarHBondContact O-N 2.99Å
260R68.7Low67.2Low194 Ų19487 Ų8773%0.73241%0.413SS*.Hα-helixtrans-66.7-42.1179.6-73.3-175.8178.1-163-0.6111P257 D258 R264P257-R260 PolarHBondContact O-N 3.3Å; D258-R260 PolarHBondContact O-N 3.12Å; R260-R264 WeakPolarHBondContact O-CB 3.42Å; R260-R264 PolarHBondContact O-N 3.34Å
261R69.5Low68.7Low127 Ų12783 Ų8348%0.47940%0.397SS..Hα-helixtrans-62.4-46.9174.9-176.4-178.3177.7-147.14.7111.2D258 R264 L265D258-R261 PolarHBondContact O-N 2.92Å; R261-R264 WeakPolarHBondContact O-CB 3.42Å; R261-R264 PolarHBondContact O-N 3.29Å; R261-L265 HydrophobicContact CG-CD1 4.17Å; R261-L265 WeakPolarHBondContact O-CG 3.19Å; R261-L265 PolarHBondContact O-N 2.89Å
262Q71.4Confident70.2Confident36 Ų3681.6 Ų81.617%0.16839%0.391CS..Hα-helixtrans-62.3-45.6177.9-76.6-179.7-10.900113.1L130 D258 R259 R264 L265 L266L130-Q262 HydrophobicContact CD2-CB 3.98Å; L130-Q262 HydrophobicContact CD2-CG 4.17Å; L130-Q262 VanDerWaalsContact CD2-OE1 3.29Å; D258-Q262 WeakPolarHBondContact O-CB 3.3Å; D258-Q262 VanDerWaalsContact O-CG 3.32Å; D258-Q262 WeakPolarHBondContact O-CG 3.22Å; D258-Q262 PolarHBondContact O-N 3.23Å; R259-Q262 PolarHBondContact O-N 3.05Å; Q262-R264 VanDerWaalsContact C-N 3.31Å; Q262-R264 PolarHBondContact O-N 2.84Å; Q262-L265 PolarHBondContact O-N 2.9Å; Q262-L266 WeakPolarHBondContact O-CB 3.42Å; Q262-L266 PolarHBondContact O-N 2.65Å
263R75.1Confident71.9Confident126 Ų12679.5 Ų79.548%0.47537%0.368SS..Hα-helixtrans-62.3-36.8175.3-76.2-176.2-179.8-145.90112.7F251 R259 R267F251-R263 VanDerWaalsContact CB-NH2 3.27Å; F251-R263 HydrophobicContact CE1-CG 4.34Å; R259-R263 WeakPolarHBondContact O-CB 3.46Å; R259-R263 WeakPolarHBondContact O-CG 3.48Å; R259-R263 PolarHBondContact O-N 2.99Å; R263-R267 WeakPolarHBondContact O-CB 3.36Å; R263-R267 PolarHBondContact O-N 3.46Å
264R76.5Confident73.8Confident96 Ų9675.6 Ų75.636%0.36235%0.351SS..Hα-helixtrans-63.9-50.9174.9-177.6-172.5-68.4-175.10.7111R260 R261 Q262 L266 R267 V268R260-R264 WeakPolarHBondContact O-CB 3.42Å; R260-R264 PolarHBondContact O-N 3.34Å; R261-R264 WeakPolarHBondContact O-CB 3.42Å; R261-R264 PolarHBondContact O-N 3.29Å; Q262-R264 VanDerWaalsContact C-N 3.31Å; Q262-R264 PolarHBondContact O-N 2.84Å; R264-L266 VanDerWaalsContact C-N 3.3Å; R264-L266 PolarHBondContact O-N 3.44Å; R264-R267 WeakPolarHBondContact O-CB 3.49Å; R264-R267 PolarHBondContact O-N 3.18Å; R264-V268 WeakPolarHBondContact O-CG2 3.36Å; R264-V268 PolarHBondContact O-N 2.96Å
265L75.9Confident75.6Confident29 Ų2975 Ų7515%0.15234%0.343CS..Hα-helixtrans-60.5-41.8177.9-69.1169.3000111.4R261 Q262 V268 I269R261-L265 HydrophobicContact CG-CD1 4.17Å; R261-L265 WeakPolarHBondContact O-CG 3.19Å; R261-L265 PolarHBondContact O-N 2.89Å; Q262-L265 PolarHBondContact O-N 2.9Å; L265-V268 PolarHBondContact O-N 3.15Å; L265-I269 WeakPolarHBondContact O-CD1 2.96Å; L265-I269 WeakPolarHBondContact O-CG1 3.43Å; L265-I269 PolarHBondContact O-N 3.01Å; L265-I269 VanDerWaalsContact O-N 3.08Å
266L79Confident77.5Confident20 Ų2069.8 Ų69.811%0.10531%0.309CS..Hα-helixtrans-59.8-47.7174.8-177.269.3000111.7L130 Y240 L243 L247 Q262 R264 V268 I269 V270L130-L266 HydrophobicContact CD1-CD1 4.33Å; Y240-L266 HydrophobicContact CD1-CD1 4.15Å; Y240-L266 HydrophobicContact CE1-CD1 3.59Å; L243-L266 HydrophobicContact CD2-CD1 3.44Å; L243-L266 VanDerWaalsContact CD2-CD1 3.44Å; L243-L266 HydrophobicContact CD2-CD2 3.72Å; L243-L266 HydrophobicContact CD2-CG 4.24Å; L247-L266 HydrophobicContact CD1-CD2 3.66Å; L247-L266 HydrophobicContact CD2-CD2 4.41Å; Q262-L266 WeakPolarHBondContact O-CB 3.42Å; Q262-L266 PolarHBondContact O-N 2.65Å; R264-L266 VanDerWaalsContact C-N 3.3Å; R264-L266 PolarHBondContact O-N 3.44Å; L266-V268 VanDerWaalsContact C-N 3.34Å; L266-V268 PolarHBondContact O-N 3.25Å; L266-I269 PolarHBondContact O-N 3.31Å; L266-V270 HydrophobicContact CD1-CG2 4.43Å; L266-V270 HydrophobicContact CG-CG2 4.42Å; L266-V270 WeakPolarHBondContact O-CG2 3.43Å; L266-V270 PolarHBondContact O-N 3.46Å
267R83.3Confident79.3Confident167 Ų16760.7 Ų60.763%0.6328%0.275SS*.Hα-helixtrans-57.3-47.6178-176.1-173.8-62.2165.6-3.4111.4R263 R264 I269 V270 T271R263-R267 WeakPolarHBondContact O-CB 3.36Å; R263-R267 PolarHBondContact O-N 3.46Å; R264-R267 WeakPolarHBondContact O-CB 3.49Å; R264-R267 PolarHBondContact O-N 3.18Å; R267-I269 VanDerWaalsContact C-N 3.32Å; R267-I269 PolarHBondContact O-N 3.44Å; R267-V270 PolarHBondContact O-N 3.23Å; R267-T271 WeakPolarHBondContact O-CB 3.48Å; R267-T271 PolarHBondContact O-N 3.5Å; R267-T271 PolarHBondContact O-OG1 2.89Å
268V83.9Confident81.3Confident8 Ų861 Ų615%0.04827%0.27CS..Hα-helixtrans-58.1-46.8178.1172.90000110.6R264 L265 L266 T271 L272 Y330 C333 D334R264-V268 WeakPolarHBondContact O-CG2 3.36Å; R264-V268 PolarHBondContact O-N 2.96Å; L265-V268 PolarHBondContact O-N 3.15Å; L266-V268 VanDerWaalsContact C-N 3.34Å; L266-V268 PolarHBondContact O-N 3.25Å; V268-T271 PolarHBondContact O-N 2.89Å; V268-L272 HydrophobicContact CG1-CD1 4.04Å; V268-L272 HydrophobicContact CG1-CG 4.45Å; V268-L272 VanDerWaalsContact O-CG 3.3Å; V268-L272 WeakPolarHBondContact O-CG 3.22Å; V268-L272 PolarHBondContact O-N 2.83Å; V268-Y330 HydrophobicContact CG1-CD1 3.93Å; V268-Y330 HydrophobicContact CG1-CE1 3.94Å; V268-C333 HydrophobicContact CG2-CB 4.18Å; V268-C333 WeakPolarHBondContact CG2-O 3.39Å; V268-D334 HydrophobicContact CG2-CB 3.82Å
269I83.4Confident82.9Confident4 Ų457.5 Ų57.52%0.02125%0.252CS..Hα-helixtrans-67.4-42.1-177.6-61.6163.3000111.1L122 R126 Y240 L265 L266 R267 T271 L272 V273L122-I269 HydrophobicContact CD1-CD1 3.91Å; L122-I269 HydrophobicContact CD1-CG1 4.47Å; L122-I269 HydrophobicContact CD2-CD1 4Å; L122-I269 HydrophobicContact CD2-CG1 3.66Å; L122-I269 HydrophobicContact CD2-CG2 4.18Å; L122-I269 HydrophobicContact CG-CD1 3.59Å; L122-I269 HydrophobicContact CG-CG1 3.81Å; L122-I269 HydrophobicContact CG-CG2 4.14Å; R126-I269 HydrophobicContact CG-CD1 3.25Å; Y240-I269 WeakPolarHBondContact OH-CG2 3.36Å; L265-I269 WeakPolarHBondContact O-CD1 2.96Å; L265-I269 WeakPolarHBondContact O-CG1 3.43Å; L265-I269 PolarHBondContact O-N 3.01Å; L265-I269 VanDerWaalsContact O-N 3.08Å; L266-I269 PolarHBondContact O-N 3.31Å; R267-I269 VanDerWaalsContact C-N 3.32Å; R267-I269 PolarHBondContact O-N 3.44Å; I269-T271 VanDerWaalsContact C-N 3.31Å; I269-T271 PolarHBondContact O-N 2.91Å; I269-L272 PolarHBondContact O-N 3.38Å; I269-V273 HydrophobicContact CG2-CG2 4.33Å; I269-V273 WeakPolarHBondContact O-CB 3.02Å; I269-V273 VanDerWaalsContact O-CG2 3.25Å; I269-V273 WeakPolarHBondContact O-CG2 3.23Å; I269-V273 PolarHBondContact O-N 2.88Å
270V85.1Confident84.3Confident53 Ų5356 Ų5632%0.32125%0.247SC..Hα-helixtrans-59.6-43.4173.9171.10000110.6Y240 L266 R267 V273 M274Y240-V270 HydrophobicContact CD1-CG2 3.95Å; Y240-V270 HydrophobicContact CE1-CG2 3.44Å; Y240-V270 VanDerWaalsContact CE1-CG2 3.44Å; Y240-V270 HydrophobicContact CE2-CG2 4.45Å; L266-V270 HydrophobicContact CD1-CG2 4.43Å; L266-V270 HydrophobicContact CG-CG2 4.42Å; L266-V270 WeakPolarHBondContact O-CG2 3.43Å; L266-V270 PolarHBondContact O-N 3.46Å; R267-V270 PolarHBondContact O-N 3.23Å; V270-V273 PolarHBondContact O-N 3.41Å; V270-M274 HydrophobicContact CG1-CG 4.33Å; V270-M274 WeakPolarHBondContact O-CB 3.33Å; V270-M274 VanDerWaalsContact O-CG 3.28Å; V270-M274 WeakPolarHBondContact O-CG 3.45Å; V270-M274 PolarHBondContact O-N 2.87Å
271T88.3Confident85.5Confident41 Ų4151.5 Ų51.525%0.25224%0.235SC..Hα-helixtrans-61.4-45.2176.6-62.30000112.1R267 V268 I269 M274 A275 L329R267-T271 WeakPolarHBondContact O-CB 3.48Å; R267-T271 PolarHBondContact O-N 3.5Å; R267-T271 PolarHBondContact O-OG1 2.89Å; V268-T271 PolarHBondContact O-N 2.89Å; I269-T271 VanDerWaalsContact C-N 3.31Å; I269-T271 PolarHBondContact O-N 2.91Å; T271-M274 PolarHBondContact O-N 3.31Å; T271-A275 WeakPolarHBondContact O-CB 3.39Å; T271-A275 PolarHBondContact O-N 2.97Å; T271-L329 HydrophobicContact CG2-CD1 4.33Å; T271-L329 HydrophobicContact CG2-CD2 3.79Å; T271-L329 HydrophobicContact CG2-CG 4.42Å
272L89.1Confident86.8Confident1 Ų147.9 Ų47.91%0.00523%0.228CC..Hα-helixtrans-63.9-42176.9-66.2169.4000112.1L119 V268 I269 A275 F276 N326 L329 Y330L119-L272 HydrophobicContact CD2-CB 3.9Å; L119-L272 HydrophobicContact CD2-CD1 4.44Å; V268-L272 HydrophobicContact CG1-CD1 4.04Å; V268-L272 HydrophobicContact CG1-CG 4.45Å; V268-L272 VanDerWaalsContact O-CG 3.3Å; V268-L272 WeakPolarHBondContact O-CG 3.22Å; V268-L272 PolarHBondContact O-N 2.83Å; I269-L272 PolarHBondContact O-N 3.38Å; L272-A275 PolarHBondContact O-N 2.79Å; L272-F276 PolarHBondContact O-N 3.41Å; L272-N326 HydrophobicContact CD2-CB 4.47Å; L272-L329 HydrophobicContact CD2-CB 3.94Å; L272-L329 HydrophobicContact CD2-CD1 3.93Å; L272-Y330 HydrophobicContact CD1-CE1 3.54Å; L272-Y330 WeakPolarHBondContact CD1-OH 3.31Å; L272-Y330 HydrophobicContact CD2-CE1 4.28Å; L272-Y330 HydrophobicContact CG-CE1 4.42Å
273V89.1Confident87.9Confident10 Ų1046.3 Ų46.36%0.06122%0.221CC..Hα-helixtrans-60.7-49.6175.8161.60000110.6L236 I269 V270 A275 F276 F277L236-V273 HydrophobicContact CD1-CG1 3.73Å; L236-V273 HydrophobicContact CD1-CG2 4.12Å; L236-V273 HydrophobicContact CD2-CG1 4.47Å; L236-V273 HydrophobicContact CD2-CG2 3.91Å; I269-V273 HydrophobicContact CG2-CG2 4.33Å; I269-V273 WeakPolarHBondContact O-CB 3.02Å; I269-V273 VanDerWaalsContact O-CG2 3.25Å; I269-V273 WeakPolarHBondContact O-CG2 3.23Å; I269-V273 PolarHBondContact O-N 2.88Å; V270-V273 PolarHBondContact O-N 3.41Å; V273-A275 VanDerWaalsContact C-N 3.32Å; V273-A275 PolarHBondContact O-N 3.43Å; V273-F276 WeakPolarHBondContact O-CB 3.31Å; V273-F276 PolarHBondContact O-N 3.22Å; V273-F277 HydrophobicContact CG1-CD2 3.92Å; V273-F277 HydrophobicContact CG1-CE2 3.97Å; V273-F277 VanDerWaalsContact O-CD2 3.22Å; V273-F277 WeakPolarHBondContact O-CD2 3.28Å; V273-F277 PolarHBondContact O-N 3.12Å
274M89.9Confident88.7Confident103 Ų10340.7 Ų40.751%0.50720%0.2SC..Hα-helixtrans-61-42.7178.2-71.5-59.1-60.400111.5V270 T271 F276 F277 L278V270-M274 HydrophobicContact CG1-CG 4.33Å; V270-M274 WeakPolarHBondContact O-CB 3.33Å; V270-M274 VanDerWaalsContact O-CG 3.28Å; V270-M274 WeakPolarHBondContact O-CG 3.45Å; V270-M274 PolarHBondContact O-N 2.87Å; T271-M274 PolarHBondContact O-N 3.31Å; M274-F276 VanDerWaalsContact C-N 3.34Å; M274-F276 PolarHBondContact O-N 2.86Å; M274-F277 PolarHBondContact O-N 2.8Å; M274-L278 WeakPolarHBondContact O-CB 3.34Å; M274-L278 WeakPolarHBondContact O-CG 3.38Å; M274-L278 PolarHBondContact O-N 2.84Å
275A92.8Very high89.6Confident14 Ų1439.7 Ų39.712%0.11621%0.205CC..Hα-helixtrans-60-44.1175.800000111.8T271 L272 V273 L278 C279 L329T271-A275 WeakPolarHBondContact O-CB 3.39Å; T271-A275 PolarHBondContact O-N 2.97Å; L272-A275 PolarHBondContact O-N 2.79Å; V273-A275 VanDerWaalsContact C-N 3.32Å; V273-A275 PolarHBondContact O-N 3.43Å; A275-L278 PolarHBondContact O-N 3.18Å; A275-C279 WeakPolarHBondContact O-CB 3.29Å; A275-C279 PolarHBondContact O-N 3.04Å; A275-C279 PolarHBondContact O-SG 3.21Å; A275-L329 HydrophobicContact CB-CD1 3.47Å; A275-L329 VanDerWaalsContact CB-CD1 3.47Å
276F92.2Very high90.5Very high2 Ų238.9 Ų38.91%0.00920%0.2CC..Hα-helixtrans-56.4-54.6175.2-178.9-86000111.6V116 L119 L272 V273 M274 L278 C279 W280 N322V116-F276 HydrophobicContact CB-CE1 4.02Å; V116-F276 HydrophobicContact CB-CE2 3.96Å; V116-F276 HydrophobicContact CB-CZ 3.49Å; V116-F276 VanDerWaalsContact CB-CZ 3.49Å; V116-F276 HydrophobicContact CG2-CD1 4.17Å; V116-F276 HydrophobicContact CG2-CE1 3.43Å; V116-F276 VanDerWaalsContact CG2-CE1 3.43Å; V116-F276 HydrophobicContact CG2-CE2 4.22Å; V116-F276 HydrophobicContact CG2-CZ 3.47Å; V116-F276 VanDerWaalsContact CG2-CZ 3.47Å; L119-F276 HydrophobicContact CD1-CB 3.78Å; L119-F276 HydrophobicContact CD1-CD2 3.93Å; L119-F276 HydrophobicContact CD1-CG 3.92Å; L272-F276 PolarHBondContact O-N 3.41Å; V273-F276 WeakPolarHBondContact O-CB 3.31Å; V273-F276 PolarHBondContact O-N 3.22Å; M274-F276 VanDerWaalsContact C-N 3.34Å; M274-F276 PolarHBondContact O-N 2.86Å; F276-L278 PolarHBondContact O-N 3.33Å; F276-C279 PolarHBondContact O-N 3.27Å; F276-W280 AromaticContact CD2-CD1 3.57Å; F276-W280 AromaticContact CD2-NE1 3.7Å; F276-W280 HydrophobicContact CE1-CB 4.4Å; F276-W280 HydrophobicContact CE1-CG 4.24Å; F276-W280 AromaticContact CE2-CD1 3.45Å; F276-W280 VanDerWaalsContact CE2-CD1 3.45Å; F276-W280 HydrophobicContact CE2-CG 4.19Å; F276-W280 AromaticContact CE2-NE1 3.37Å; F276-W280 AromaticContact CG-CD1 3.91Å; F276-W280 AromaticContact CZ-CD1 3.67Å; F276-W280 HydrophobicContact CZ-CD2 4.4Å; F276-W280 AromaticContact CZ-CG 3.98Å; F276-W280 HydrophobicContact CZ-CG 3.98Å; F276-W280 AromaticContact CZ-NE1 3.92Å; F276-W280 WeakPolarHBondContact O-CB 3.19Å; F276-W280 PolarHBondContact O-N 3.17Å; F276-N322 VanDerWaalsContact CA-OD1 3.3Å; F276-N322 WeakPolarHBondContact CA-OD1 3.29Å
277F92Very high91.2Very high19 Ų1941.4 Ų41.48%0.08321%0.211CC..Hα-helixtrans-65.7-40-178-75.9-75.4000112.7F229 P232 L233 L236 V273 M274 C279 W280 M281F229-F277 AromaticContact CD2-CD1 3.83Å; F229-F277 HydrophobicContact CD2-CD1 3.83Å; F229-F277 AromaticContact CD2-CE1 3.94Å; F229-F277 HydrophobicContact CD2-CE1 3.94Å; F229-F277 HydrophobicContact CE1-CD1 4.31Å; F229-F277 AromaticContact CE2-CD1 3.38Å; F229-F277 HydrophobicContact CE2-CD1 3.38Å; F229-F277 AromaticContact CE2-CE1 3.97Å; F229-F277 HydrophobicContact CE2-CE1 3.97Å; F229-F277 HydrophobicContact CE2-CG 4.42Å; F229-F277 HydrophobicContact CG-CD1 4.46Å; F229-F277 HydrophobicContact CG-CE1 4.25Å; F229-F277 AromaticContact CZ-CD1 3.65Å; F229-F277 HydrophobicContact CZ-CD1 3.65Å; F229-F277 HydrophobicContact CZ-CE1 4.27Å; F229-F277 WeakPolarHBondContact O-CE1 3.46Å; P232-F277 HydrophobicContact CB-CZ 4.23Å; L233-F277 HydrophobicContact CB-CD1 4.43Å; L233-F277 HydrophobicContact CB-CE1 3.6Å; L233-F277 HydrophobicContact CB-CZ 3.77Å; L233-F277 HydrophobicContact CD1-CD1 3.96Å; L233-F277 HydrophobicContact CD1-CD2 4.32Å; L233-F277 HydrophobicContact CD1-CE1 3.86Å; L233-F277 HydrophobicContact CD1-CE2 4.25Å; L233-F277 HydrophobicContact CD1-CG 4.23Å; L233-F277 HydrophobicContact CD1-CZ 4.01Å; L233-F277 HydrophobicContact CG-CE1 4.22Å; L236-F277 HydrophobicContact CD1-CE2 3.38Å; L236-F277 HydrophobicContact CD1-CZ 3.86Å; V273-F277 HydrophobicContact CG1-CD2 3.92Å; V273-F277 HydrophobicContact CG1-CE2 3.97Å; V273-F277 VanDerWaalsContact O-CD2 3.22Å; V273-F277 WeakPolarHBondContact O-CD2 3.28Å; V273-F277 PolarHBondContact O-N 3.12Å; M274-F277 PolarHBondContact O-N 2.8Å; F277-C279 VanDerWaalsContact C-N 3.29Å; F277-C279 PolarHBondContact O-N 3.41Å; F277-W280 PolarHBondContact O-N 3.49Å; F277-M281 WeakPolarHBondContact O-CA 3.32Å; F277-M281 WeakPolarHBondContact O-CB 2.99Å; F277-M281 PolarHBondContact O-N 3.48Å
278L94.1Very high91.6Very high112 Ų11235.3 Ų35.359%0.58619%0.192SC*.Hα-helixtrans-63.2-36.6176.9-71.1171.4000112.1M274 A275 F276 P282M274-L278 WeakPolarHBondContact O-CB 3.34Å; M274-L278 WeakPolarHBondContact O-CG 3.38Å; M274-L278 PolarHBondContact O-N 2.84Å; A275-L278 PolarHBondContact O-N 3.18Å; F276-L278 PolarHBondContact O-N 3.33Å; L278-P282 VanDerWaalsContact O-CD 3.31Å; L278-P282 WeakPolarHBondContact O-CD 3.33Å
279C95.8Very high92.1Very high5 Ų537 Ų373%0.03420%0.202CC..Hα-helixtrans-75.3-41.7178.9-66.30000112.5A275 F276 F277 L318 A319 N322 L325A275-C279 WeakPolarHBondContact O-CB 3.29Å; A275-C279 PolarHBondContact O-N 3.04Å; A275-C279 PolarHBondContact O-SG 3.21Å; F276-C279 PolarHBondContact O-N 3.27Å; F277-C279 VanDerWaalsContact C-N 3.29Å; F277-C279 PolarHBondContact O-N 3.41Å; C279-L318 WeakPolarHBondContact CB-O 3.44Å; C279-A319 WeakPolarHBondContact O-CA 3.42Å; C279-A319 PolarHBondContact O-N 3.45Å; C279-N322 HydrophobicContact CB-CB 3.83Å; C279-L325 VanDerWaalsContact SG-CD1 3.55Å
280W94.7Very high92.6Very high10 Ų1039.8 Ų39.84%0.03821%0.214CC..Hα-helixtrans-87.9-24.3-173.7-76.592000114M112 F229 F276 F277 L283 N284 A319 N322M112-W280 HydrophobicContact CB-CH2 3.49Å; M112-W280 VanDerWaalsContact CB-CH2 3.49Å; M112-W280 HydrophobicContact CB-CZ2 3.91Å; M112-W280 HydrophobicContact CB-CZ3 4.01Å; M112-W280 HydrophobicContact CG-CD2 4.31Å; M112-W280 HydrophobicContact CG-CE3 3.91Å; M112-W280 HydrophobicContact CG-CH2 3.43Å; M112-W280 VanDerWaalsContact CG-CH2 3.43Å; M112-W280 HydrophobicContact CG-CZ2 3.84Å; M112-W280 HydrophobicContact CG-CZ3 3.46Å; M112-W280 VanDerWaalsContact CG-CZ3 3.46Å; M112-W280 HydrophobicContact SD-CE3 3.93Å; M112-W280 HydrophobicContact SD-CH2 3.99Å; M112-W280 HydrophobicContact SD-CZ3 3.45Å; M112-W280 WeakPolarHBondContact SD-CZ3 3.48Å; F229-W280 HydrophobicContact CD2-CB 4.33Å; F229-W280 HydrophobicContact CE2-CB 4.46Å; F276-W280 AromaticContact CD2-CD1 3.57Å; F276-W280 AromaticContact CD2-NE1 3.7Å; F276-W280 HydrophobicContact CE1-CB 4.4Å; F276-W280 HydrophobicContact CE1-CG 4.24Å; F276-W280 AromaticContact CE2-CD1 3.45Å; F276-W280 VanDerWaalsContact CE2-CD1 3.45Å; F276-W280 HydrophobicContact CE2-CG 4.19Å; F276-W280 AromaticContact CE2-NE1 3.37Å; F276-W280 AromaticContact CG-CD1 3.91Å; F276-W280 AromaticContact CZ-CD1 3.67Å; F276-W280 HydrophobicContact CZ-CD2 4.4Å; F276-W280 AromaticContact CZ-CG 3.98Å; F276-W280 HydrophobicContact CZ-CG 3.98Å; F276-W280 AromaticContact CZ-NE1 3.92Å; F276-W280 WeakPolarHBondContact O-CB 3.19Å; F276-W280 PolarHBondContact O-N 3.17Å; F277-W280 PolarHBondContact O-N 3.49Å; W280-L283 HydrophobicContact CE3-CD2 4.33Å; W280-L283 HydrophobicContact CZ3-CD2 4.17Å; W280-L283 PolarHBondContact O-N 3.31Å; W280-N284 PolarHBondContact O-N 3.46Å; W280-N284 VanDerWaalsContact O-N 3.12Å; W280-N284 PolarHBondContact O-ND2 3.05Å; W280-A319 HydrophobicContact CD2-CB 4.07Å; W280-A319 HydrophobicContact CE3-CB 4Å; W280-A319 HydrophobicContact CZ3-CB 4.26Å; W280-N322 PolarHBondContact NE1-ND2 3.49Å
281M94.1Very high92.9Very high99 Ų9938.4 Ų38.449%0.48821%0.205SC..Hα-helixtrans-57.5-48.7-176.5174.5-179.6173.600112.8F229 F277 L283 N284 V285F229-M281 HydrophobicContact CE2-CB 3.81Å; F229-M281 HydrophobicContact CZ-CB 3.71Å; F229-M281 HydrophobicContact CZ-CG 4.04Å; F277-M281 WeakPolarHBondContact O-CA 3.32Å; F277-M281 WeakPolarHBondContact O-CB 2.99Å; F277-M281 PolarHBondContact O-N 3.48Å; M281-L283 VanDerWaalsContact C-N 3.27Å; M281-L283 PolarHBondContact O-N 2.59Å; M281-N284 PolarHBondContact O-N 2.98Å; M281-V285 HydrophobicContact CE-CG2 4.38Å; M281-V285 HydrophobicContact CG-CG2 4.01Å; M281-V285 WeakPolarHBondContact O-CB 3.32Å; M281-V285 WeakPolarHBondContact O-CG2 3.42Å; M281-V285 PolarHBondContact O-N 2.83Å
282P96.4Very high93Very high50 Ų5039.2 Ų39.233%0.32521%0.207SC..Hα-helixtrans-59.5-39.2-177.2-28.840.9000112.7L278 N286 A315 L318L278-P282 VanDerWaalsContact O-CD 3.31Å; L278-P282 WeakPolarHBondContact O-CD 3.33Å; P282-N286 WeakPolarHBondContact O-CB 3.26Å; P282-N286 PolarHBondContact O-N 3.13Å; P282-A315 HydrophobicContact CB-CB 4.02Å; P282-L318 HydrophobicContact CG-CD2 3.92Å
283L94.8Very high93.1Very high4 Ų439.7 Ų39.72%0.02121%0.21CC..Hα-helixtrans-67.8-44.2178.5-176.861000112.1W280 M281 K287 A315 T316 A319W280-L283 HydrophobicContact CE3-CD2 4.33Å; W280-L283 HydrophobicContact CZ3-CD2 4.17Å; W280-L283 PolarHBondContact O-N 3.31Å; M281-L283 VanDerWaalsContact C-N 3.27Å; M281-L283 PolarHBondContact O-N 2.59Å; L283-K287 HydrophobicContact CD1-CD 4.06Å; L283-K287 VanDerWaalsContact CD1-CE 3.48Å; L283-K287 HydrophobicContact CD1-CG 4.24Å; L283-K287 HydrophobicContact CG-CD 4.08Å; L283-K287 WeakPolarHBondContact O-CB 3.44Å; L283-K287 VanDerWaalsContact O-CG 3.32Å; L283-K287 WeakPolarHBondContact O-CG 3.09Å; L283-K287 PolarHBondContact O-N 3.35Å; L283-A315 HydrophobicContact CB-CB 4.27Å; L283-A315 HydrophobicContact CD1-CB 4.38Å; L283-T316 VanDerWaalsContact CD1-OG1 3.28Å; L283-T316 WeakPolarHBondContact CD1-OG1 3.27Å; L283-A319 HydrophobicContact CB-CB 4.21Å; L283-A319 HydrophobicContact CD2-CB 3.7Å
284N93.3Very high93Very high8 Ų843.7 Ų43.74%0.04323%0.228CC..Hα-helixtrans-66.6-40.7179.1-75.3-82.7000111.2F229 W280 M281 T288F229-N284 HydrophobicContact CD2-CB 4.45Å; F229-N284 HydrophobicContact CG-CB 4.43Å; W280-N284 PolarHBondContact O-N 3.46Å; W280-N284 VanDerWaalsContact O-N 3.12Å; W280-N284 PolarHBondContact O-ND2 3.05Å; M281-N284 PolarHBondContact O-N 2.98Å; N284-T288 VanDerWaalsContact O-CB 3.3Å; N284-T288 WeakPolarHBondContact O-CB 3.48Å; N284-T288 PolarHBondContact O-N 2.88Å; N284-T288 PolarHBondContact O-OG1 2.91Å
285V94.5Very high93Very high75 Ų7541.3 Ų41.346%0.45522%0.217SC..Hα-helixtrans-63.4-51.8175.6172.10000110.6M281 K287 T288 V289M281-V285 HydrophobicContact CE-CG2 4.38Å; M281-V285 HydrophobicContact CG-CG2 4.01Å; M281-V285 WeakPolarHBondContact O-CB 3.32Å; M281-V285 WeakPolarHBondContact O-CG2 3.42Å; M281-V285 PolarHBondContact O-N 2.83Å; V285-K287 PolarHBondContact O-N 3.05Å; V285-T288 PolarHBondContact O-N 3.47Å; V285-V289 HydrophobicContact CG1-CG2 4.3Å; V285-V289 VanDerWaalsContact O-CG2 3.31Å; V285-V289 WeakPolarHBondContact O-CG2 3.36Å; V285-V289 PolarHBondContact O-N 3.01Å
286N95.3Very high92.7Very high11 Ų1143.6 Ų43.66%0.05924%0.242CC..Hα-helixtrans-56.6-50.1179.9178-81.4000111.6P282 T288 V289 F290 L308 A311 H312P282-N286 WeakPolarHBondContact O-CB 3.26Å; P282-N286 PolarHBondContact O-N 3.13Å; N286-T288 PolarHBondContact O-N 3Å; N286-V289 PolarHBondContact O-N 3.46Å; N286-F290 WeakPolarHBondContact O-CB 3.15Å; N286-F290 PolarHBondContact O-N 3.01Å; N286-L308 PolarHBondContact ND2-O 3.47Å; N286-A311 WeakPolarHBondContact ND2-CB 3.18Å; N286-H312 PolarHBondContact ND2-N 3.23Å; N286-H312 PolarHBondContact OD1-ND1 3.45Å
287K92.9Very high92.6Very high74 Ų7448.9 Ų48.932%0.32227%0.269SS..Hα-helixtrans-61.6-42.1177.6-74.9176.7175171.70113.1L283 V285 I291L283-K287 HydrophobicContact CD1-CD 4.06Å; L283-K287 VanDerWaalsContact CD1-CE 3.48Å; L283-K287 HydrophobicContact CD1-CG 4.24Å; L283-K287 HydrophobicContact CG-CD 4.08Å; L283-K287 WeakPolarHBondContact O-CB 3.44Å; L283-K287 VanDerWaalsContact O-CG 3.32Å; L283-K287 WeakPolarHBondContact O-CG 3.09Å; L283-K287 PolarHBondContact O-N 3.35Å; V285-K287 PolarHBondContact O-N 3.05Å; K287-I291 WeakPolarHBondContact O-CG1 3.41Å; K287-I291 PolarHBondContact O-N 2.92Å; K287-I291 VanDerWaalsContact O-N 3.11Å
288T93Very high92.6Very high39 Ų3950 Ų5024%0.23928%0.278CS..Hα-helixtrans-67.2-43.5179.5-67.80000111.3T225 N284 V285 N286 I291 L292T225-T288 PolarHBondContact OG1-OG1 3.39Å; N284-T288 VanDerWaalsContact O-CB 3.3Å; N284-T288 WeakPolarHBondContact O-CB 3.48Å; N284-T288 PolarHBondContact O-N 2.88Å; N284-T288 PolarHBondContact O-OG1 2.91Å; V285-T288 PolarHBondContact O-N 3.47Å; N286-T288 PolarHBondContact O-N 3Å; T288-I291 PolarHBondContact O-N 3.06Å; T288-L292 HydrophobicContact CG2-CD1 4.05Å; T288-L292 HydrophobicContact CG2-CG 4.43Å; T288-L292 VanDerWaalsContact O-CG 3.25Å; T288-L292 WeakPolarHBondContact O-CG 2.96Å; T288-L292 PolarHBondContact O-N 3.32Å
289V93.8Very high92.4Very high43 Ų4349.9 Ų49.926%0.26128%0.283SS..Hα-helixtrans-65.8-42.6177.8178.40000111.1V285 N286 I291 L292 L293 L304 L308V285-V289 HydrophobicContact CG1-CG2 4.3Å; V285-V289 VanDerWaalsContact O-CG2 3.31Å; V285-V289 WeakPolarHBondContact O-CG2 3.36Å; V285-V289 PolarHBondContact O-N 3.01Å; N286-V289 PolarHBondContact O-N 3.46Å; V289-I291 VanDerWaalsContact C-N 3.31Å; V289-I291 PolarHBondContact O-N 2.89Å; V289-L292 PolarHBondContact O-N 2.9Å; V289-L293 PolarHBondContact O-N 2.83Å; V289-L304 HydrophobicContact CG1-CD1 4.42Å; V289-L308 HydrophobicContact CB-CD2 3.95Å; V289-L308 HydrophobicContact CG1-CD1 3.98Å; V289-L308 HydrophobicContact CG1-CD2 3.91Å
290F92.9Very high92.1Very high63 Ų6352.8 Ų52.828%0.27629%0.294SS..Hα-helixtrans-54.2-47.3174.9-176.5-97.4000111.8N286 L292 L293 E294 L308 L309N286-F290 WeakPolarHBondContact O-CB 3.15Å; N286-F290 PolarHBondContact O-N 3.01Å; F290-L292 PolarHBondContact O-N 3.45Å; F290-L293 WeakPolarHBondContact O-CB 3.41Å; F290-L293 PolarHBondContact O-N 3.28Å; F290-E294 HydrophobicContact CD1-CG 4.27Å; F290-E294 HydrophobicContact CE1-CG 3.89Å; F290-E294 HydrophobicContact CZ-CG 4.2Å; F290-E294 WeakPolarHBondContact O-CG 3.27Å; F290-E294 PolarHBondContact O-N 2.95Å; F290-L308 HydrophobicContact CB-CD1 4.37Å; F290-L308 HydrophobicContact CD2-CB 4.34Å; F290-L308 HydrophobicContact CD2-CD1 4.46Å; F290-L309 HydrophobicContact CE2-CD2 4.29Å
291I91.1Very high91.9Very high23 Ų2354.4 Ų54.412%0.11831%0.307CS..Hα-helixtrans-72-33.2-179.2-72.1169.3000112.9A218 S221 K287 T288 V289 L293 E294 L295A218-I291 HydrophobicContact CB-CG2 3.5Å; S221-I291 WeakPolarHBondContact OG-CD1 3.19Å; K287-I291 WeakPolarHBondContact O-CG1 3.41Å; K287-I291 PolarHBondContact O-N 2.92Å; K287-I291 VanDerWaalsContact O-N 3.11Å; T288-I291 PolarHBondContact O-N 3.06Å; V289-I291 VanDerWaalsContact C-N 3.31Å; V289-I291 PolarHBondContact O-N 2.89Å; I291-L293 PolarHBondContact O-N 2.89Å; I291-E294 PolarHBondContact O-N 3.1Å; I291-L295 HydrophobicContact CG2-CD1 4.01Å; I291-L295 HydrophobicContact CG2-CG 4.38Å; I291-L295 WeakPolarHBondContact O-CB 3.5Å; I291-L295 VanDerWaalsContact O-CG 3.27Å; I291-L295 WeakPolarHBondContact O-CG 3.47Å; I291-L295 PolarHBondContact O-N 3.15Å
292L91.7Very high91.6Very high58 Ų5850.8 Ų50.830%0.30429%0.291SS..Hα-helixtrans-66.8-30.5173.8-70.7173.1000112.1T288 V289 F290 G296 I297 V298T288-L292 HydrophobicContact CG2-CD1 4.05Å; T288-L292 HydrophobicContact CG2-CG 4.43Å; T288-L292 VanDerWaalsContact O-CG 3.25Å; T288-L292 WeakPolarHBondContact O-CG 2.96Å; T288-L292 PolarHBondContact O-N 3.32Å; V289-L292 PolarHBondContact O-N 2.9Å; F290-L292 PolarHBondContact O-N 3.45Å; L292-G296 PolarHBondContact O-N 2.98Å; L292-I297 HydrophobicContact CD2-CB 4.23Å; L292-I297 HydrophobicContact CD2-CD1 3.67Å; L292-I297 HydrophobicContact CD2-CG2 4.22Å; L292-I297 PolarHBondContact O-N 2.85Å; L292-V298 HydrophobicContact CB-CG2 3.84Å; L292-V298 PolarHBondContact O-N 3.45Å
293L91.3Very high91.3Very high12 Ų1252.3 Ų52.36%0.06330%0.303CS..Hα-helixtrans-70.4-47.6172.7176.5150.6000110.6V289 F290 I291 L295 G296 Y300 L304 L308V289-L293 PolarHBondContact O-N 2.83Å; F290-L293 WeakPolarHBondContact O-CB 3.41Å; F290-L293 PolarHBondContact O-N 3.28Å; I291-L293 PolarHBondContact O-N 2.89Å; L293-L295 VanDerWaalsContact C-N 3.3Å; L293-L295 PolarHBondContact O-N 3.37Å; L293-G296 PolarHBondContact O-N 3.5Å; L293-Y300 HydrophobicContact CD1-CD2 4.18Å; L293-Y300 HydrophobicContact CD2-CD2 3.79Å; L293-Y300 HydrophobicContact CD2-CE2 4.14Å; L293-Y300 HydrophobicContact CG-CD2 4.07Å; L293-L304 HydrophobicContact CD1-CB 4.48Å; L293-L304 HydrophobicContact CD1-CD2 3.77Å; L293-L304 HydrophobicContact CD1-CG 3.97Å; L293-L308 HydrophobicContact CD1-CD1 4.26Å
294E87.4Confident91.1Very high93 Ų9354.5 Ų54.544%0.43531%0.314SS..Hα-helixtrans-58.6-36.7174.3-73-68.1163.200113.4V214 F290 I291 G296V214-E294 HydrophobicContact CG1-CB 4.19Å; F290-E294 HydrophobicContact CD1-CG 4.27Å; F290-E294 HydrophobicContact CE1-CG 3.89Å; F290-E294 HydrophobicContact CZ-CG 4.2Å; F290-E294 WeakPolarHBondContact O-CG 3.27Å; F290-E294 PolarHBondContact O-N 2.95Å; I291-E294 PolarHBondContact O-N 3.1Å; E294-G296 PolarHBondContact O-N 3.26Å
295L88.4Confident90.9Very high53 Ų5354.6 Ų54.628%0.27732%0.315SS..THydrogen-bonded Turntrans-77.8-2.3176-69.6174.2000113.8V214 W215 A218 I291 L293 I297V214-L295 HydrophobicContact CG1-CD2 4.23Å; W215-L295 HydrophobicContact CD2-CD2 4.4Å; W215-L295 HydrophobicContact CE3-CD2 4.32Å; W215-L295 HydrophobicContact CH2-CD2 4.44Å; W215-L295 HydrophobicContact CZ3-CD2 4.35Å; A218-L295 HydrophobicContact CB-CD1 3.96Å; A218-L295 HydrophobicContact CB-CD2 4.29Å; A218-L295 HydrophobicContact CB-CG 4.36Å; I291-L295 HydrophobicContact CG2-CD1 4.01Å; I291-L295 HydrophobicContact CG2-CG 4.38Å; I291-L295 WeakPolarHBondContact O-CB 3.5Å; I291-L295 VanDerWaalsContact O-CG 3.27Å; I291-L295 WeakPolarHBondContact O-CG 3.47Å; I291-L295 PolarHBondContact O-N 3.15Å; L293-L295 VanDerWaalsContact C-N 3.3Å; L293-L295 PolarHBondContact O-N 3.37Å; L295-I297 HydrophobicContact CB-CD1 4.04Å; L295-I297 HydrophobicContact CB-CG1 4.14Å; L295-I297 HydrophobicContact CD1-CD1 4.16Å; L295-I297 PolarHBondContact O-N 3.31Å
296G87.4Confident90.7Very high63 Ų6354.1 Ų54.165%0.64931%0.308SS*.THydrogen-bonded Turntrans68.618.1-177.700000114.7L292 L293 E294L292-G296 PolarHBondContact O-N 2.98Å; L293-G296 PolarHBondContact O-N 3.5Å; E294-G296 PolarHBondContact O-N 3.26Å
297I90.3Very high90.5Very high113 Ų11356.1 Ų56.158%0.57933%0.326SS*.SBendtrans-79.5-37177.3-63.9169.4000110.4L292 L295L292-I297 HydrophobicContact CD2-CB 4.23Å; L292-I297 HydrophobicContact CD2-CD1 3.67Å; L292-I297 HydrophobicContact CD2-CG2 4.22Å; L292-I297 PolarHBondContact O-N 2.85Å; L295-I297 HydrophobicContact CB-CD1 4.04Å; L295-I297 HydrophobicContact CB-CG1 4.14Å; L295-I297 HydrophobicContact CD1-CD1 4.16Å; L295-I297 PolarHBondContact O-N 3.31Å
298V90.8Very high90.5Very high43 Ų4353.3 Ų53.326%0.26131%0.314SS..SBendtrans-101.3136.6174.1172.70000108.3L292 Y300 L304L292-V298 HydrophobicContact CB-CG2 3.84Å; L292-V298 PolarHBondContact O-N 3.45Å; V298-Y300 PolarHBondContact O-N 3.36Å; V298-L304 HydrophobicContact CG1-CD2 3.92Å
299P89.9Confident90.3Very high109 Ų10955.3 Ų55.371%0.70832%0.323SS*.PPolyproline II helixtrans-62.1133179.325.8-34.9000111.2
300Y90.1Very high90.1Very high65 Ų6553.8 Ų53.826%0.25532%0.315SS..PPolyproline II helixtrans-67137.9177-176.4-98.6000111.4C17 L293 V298 D305C17-Y300 PolarHBondContact SG-OH 3.45Å; L293-Y300 HydrophobicContact CD1-CD2 4.18Å; L293-Y300 HydrophobicContact CD2-CD2 3.79Å; L293-Y300 HydrophobicContact CD2-CE2 4.14Å; L293-Y300 HydrophobicContact CG-CD2 4.07Å; V298-Y300 PolarHBondContact O-N 3.36Å; Y300-D305 HydrophobicContact CE2-CB 4Å
301S90.3Very high90.1Very high44 Ų4452.9 Ų52.931%0.30832%0.319SS..  trans-151.4136.9168.554.90000109.4S303 L304 D305S301-S303 PolarHBondContact O-N 2.92Å; S301-L304 PolarHBondContact O-N 2.99Å; S301-L304 WeakPolarHBondContact OG-CB 3.37Å; S301-D305 PolarHBondContact O-N 3.44Å; S301-D305 VanDerWaalsContact O-N 3.07Å
302C88.8Confident90.2Very high24 Ų2455.3 Ų55.316%0.16233%0.33CS..Hα-helixtrans-54.4-40.1-179-67.40000112.2C17 L304 D305 Q306C17-C302 VanDerWaalsContact CA-SG 3.6Å; C17-C302 HydrophobicContact CB-CB 3.74Å; C17-C302 WeakPolarHBondContact CB-SG 3.31Å; C17-C302 VanDerWaalsContact SG-CA 3.51Å; C17-C302 WeakPolarHBondContact SG-CB 3.27Å; C17-C302 CovalentContact SG-SG 2.05Å; C17-C302 PolarHBondContact SG-SG 3.31Å; C302-L304 PolarHBondContact O-N 3.26Å; C302-D305 PolarHBondContact O-N 2.99Å; C302-Q306 VanDerWaalsContact O-CB 3.29Å; C302-Q306 WeakPolarHBondContact O-CB 3.31Å; C302-Q306 WeakPolarHBondContact O-CG 3.49Å; C302-Q306 PolarHBondContact O-N 3.44Å
303S89Confident90.3Very high81 Ų8153 Ų5357%0.56632%0.319SS*.Hα-helixtrans-65.8-36179.956.60000113.2S301 A307S301-S303 PolarHBondContact O-N 2.92Å; S303-A307 WeakPolarHBondContact O-CB 3.25Å; S303-A307 PolarHBondContact O-N 3.2Å
304L90.8Very high90.4Very high50 Ų5056.7 Ų56.726%0.26233%0.332SS..Hα-helixtrans-70.7-45.9176.517960.3000110.9V289 L293 V298 S301 C302 A307 L308V289-L304 HydrophobicContact CG1-CD1 4.42Å; L293-L304 HydrophobicContact CD1-CB 4.48Å; L293-L304 HydrophobicContact CD1-CD2 3.77Å; L293-L304 HydrophobicContact CD1-CG 3.97Å; V298-L304 HydrophobicContact CG1-CD2 3.92Å; S301-L304 PolarHBondContact O-N 2.99Å; S301-L304 WeakPolarHBondContact OG-CB 3.37Å; C302-L304 PolarHBondContact O-N 3.26Å; L304-A307 PolarHBondContact O-N 2.8Å; L304-L308 HydrophobicContact CD1-CD1 4.11Å; L304-L308 HydrophobicContact CD1-CG 4.22Å; L304-L308 HydrophobicContact CG-CD1 3.95Å; L304-L308 HydrophobicContact CG-CG 4.49Å; L304-L308 WeakPolarHBondContact O-CB 2.82Å; L304-L308 WeakPolarHBondContact O-CG 3.33Å; L304-L308 PolarHBondContact O-N 3.22Å
305D90.1Very high90.8Very high11 Ų1152.6 Ų52.66%0.05932%0.315CS..Hα-helixtrans-60.5-50.7178.4-17858.9000111.6Y19 Y300 S301 C302 A307 L308 L309Y19-D305 VanDerWaalsContact CE1-OD2 3.3Å; Y19-D305 WeakPolarHBondContact CE1-OD2 3.39Å; Y19-D305 PolarHBondContact OH-OD2 2.92Å; Y300-D305 HydrophobicContact CE2-CB 4Å; S301-D305 PolarHBondContact O-N 3.44Å; S301-D305 VanDerWaalsContact O-N 3.07Å; C302-D305 PolarHBondContact O-N 2.99Å; D305-A307 VanDerWaalsContact C-N 3.33Å; D305-A307 PolarHBondContact O-N 3.18Å; D305-L308 WeakPolarHBondContact O-CB 3.14Å; D305-L308 PolarHBondContact O-N 3.09Å; D305-L308 VanDerWaalsContact O-N 3.07Å; D305-L309 WeakPolarHBondContact O-CG 3.25Å; D305-L309 PolarHBondContact O-N 3.41Å
306Q89.2Confident91.2Very high65 Ų6550.9 Ų50.930%0.30431%0.306SS..Hα-helixtrans-54.9-46.2173.1-72.9166.3-5.700112D18 Y19 C302 L308 L309 A310D18-Q306 PolarHBondContact O-NE2 2.63Å; Y19-Q306 HydrophobicContact CD1-CG 3.85Å; Y19-Q306 HydrophobicContact CE1-CG 3.86Å; C302-Q306 VanDerWaalsContact O-CB 3.29Å; C302-Q306 WeakPolarHBondContact O-CB 3.31Å; C302-Q306 WeakPolarHBondContact O-CG 3.49Å; C302-Q306 PolarHBondContact O-N 3.44Å; Q306-L308 VanDerWaalsContact C-N 3.3Å; Q306-L308 PolarHBondContact O-N 2.9Å; Q306-L309 PolarHBondContact O-N 3.04Å; Q306-A310 WeakPolarHBondContact O-CB 3.41Å; Q306-A310 PolarHBondContact O-N 2.82Å
307A90.9Very high91.6Very high53 Ų5348.1 Ų48.144%0.43828%0.277SS..Hα-helixtrans-64.1-35.3178.900000112.4S303 L304 D305 A311S303-A307 WeakPolarHBondContact O-CB 3.25Å; S303-A307 PolarHBondContact O-N 3.2Å; L304-A307 PolarHBondContact O-N 2.8Å; D305-A307 VanDerWaalsContact C-N 3.33Å; D305-A307 PolarHBondContact O-N 3.18Å; A307-A311 WeakPolarHBondContact O-CB 3.5Å; A307-A311 PolarHBondContact O-N 2.87Å
308L92.9Very high91.9Very high14 Ų1446 Ų467%0.07327%0.266CS..Hα-helixtrans-70.2-48.2177.5-70.8165.8000111.3N286 V289 F290 L293 L304 D305 Q306 A310 A311 H312N286-L308 PolarHBondContact ND2-O 3.47Å; V289-L308 HydrophobicContact CB-CD2 3.95Å; V289-L308 HydrophobicContact CG1-CD1 3.98Å; V289-L308 HydrophobicContact CG1-CD2 3.91Å; F290-L308 HydrophobicContact CB-CD1 4.37Å; F290-L308 HydrophobicContact CD2-CB 4.34Å; F290-L308 HydrophobicContact CD2-CD1 4.46Å; L293-L308 HydrophobicContact CD1-CD1 4.26Å; L304-L308 HydrophobicContact CD1-CD1 4.11Å; L304-L308 HydrophobicContact CD1-CG 4.22Å; L304-L308 HydrophobicContact CG-CD1 3.95Å; L304-L308 HydrophobicContact CG-CG 4.49Å; L304-L308 WeakPolarHBondContact O-CB 2.82Å; L304-L308 WeakPolarHBondContact O-CG 3.33Å; L304-L308 PolarHBondContact O-N 3.22Å; D305-L308 WeakPolarHBondContact O-CB 3.14Å; D305-L308 PolarHBondContact O-N 3.09Å; D305-L308 VanDerWaalsContact O-N 3.07Å; Q306-L308 VanDerWaalsContact C-N 3.3Å; Q306-L308 PolarHBondContact O-N 2.9Å; L308-A310 VanDerWaalsContact C-N 3.28Å; L308-A310 PolarHBondContact O-N 3.29Å; L308-A311 PolarHBondContact O-N 3.4Å; L308-H312 WeakPolarHBondContact O-CB 3.36Å; L308-H312 PolarHBondContact O-N 3.29Å
309L89.7Confident92.2Very high81 Ų8143.9 Ų43.942%0.42425%0.254SS..Hα-helixtrans-58.6-42.6174.6-68.7173000111Y19 F290 D305 Q306 P313Y19-L309 HydrophobicContact CD1-CD1 4.14Å; Y19-L309 HydrophobicContact CE1-CD1 3.68Å; F290-L309 HydrophobicContact CE2-CD2 4.29Å; D305-L309 WeakPolarHBondContact O-CG 3.25Å; D305-L309 PolarHBondContact O-N 3.41Å; Q306-L309 PolarHBondContact O-N 3.04Å; L309-P313 WeakPolarHBondContact O-CD 3.47Å
310A89.3Confident92.4Very high11 Ų1139.9 Ų39.99%0.09123%0.225CC..Hα-helixtrans-65.2-46.417700000113.2W22 Q306 L308 H312 P313W22-A310 HydrophobicContact CD2-CB 3.41Å; W22-A310 VanDerWaalsContact CD2-CB 3.41Å; W22-A310 HydrophobicContact CE3-CB 3.56Å; W22-A310 HydrophobicContact CG-CB 4.06Å; W22-A310 VanDerWaalsContact CH2-C 3.41Å; W22-A310 HydrophobicContact CH2-CB 3.67Å; W22-A310 WeakPolarHBondContact CH2-O 3.47Å; W22-A310 HydrophobicContact CZ2-CB 3.47Å; W22-A310 VanDerWaalsContact CZ2-CB 3.47Å; W22-A310 WeakPolarHBondContact CZ2-O 3.2Å; W22-A310 HydrophobicContact CZ3-CB 3.74Å; W22-A310 WeakPolarHBondContact CZ3-O 3.46Å; Q306-A310 WeakPolarHBondContact O-CB 3.41Å; Q306-A310 PolarHBondContact O-N 2.82Å; L308-A310 VanDerWaalsContact C-N 3.28Å; L308-A310 PolarHBondContact O-N 3.29Å; A310-H312 VanDerWaalsContact C-N 3.33Å; A310-H312 PolarHBondContact O-N 2.95Å; A310-P313 WeakPolarHBondContact O-CD 3.5Å; A310-P313 WeakPolarHBondContact O-CG 3.33Å
311A92.8Very high92.7Very high45 Ų4538.9 Ų38.937%0.37222%0.223SC..Hα-helixtrans-73.2-26.3-177.600000112.8N286 A307 L308 Y314 A315N286-A311 WeakPolarHBondContact ND2-CB 3.18Å; A307-A311 WeakPolarHBondContact O-CB 3.5Å; A307-A311 PolarHBondContact O-N 2.87Å; L308-A311 PolarHBondContact O-N 3.4Å; A311-Y314 PolarHBondContact O-N 2.88Å; A311-A315 VanDerWaalsContact O-CB 3.25Å; A311-A315 WeakPolarHBondContact O-CB 3.32Å; A311-A315 PolarHBondContact O-N 2.89Å
312H93.1Very high92.9Very high74 Ų7436.8 Ų36.834%0.34321%0.209SC..Hα-helixtrans-52.8-52.7-175.5-173.582.9000115.2N286 L308 A310 Y314 A315 T316N286-H312 PolarHBondContact ND2-N 3.23Å; N286-H312 PolarHBondContact OD1-ND1 3.45Å; L308-H312 WeakPolarHBondContact O-CB 3.36Å; L308-H312 PolarHBondContact O-N 3.29Å; A310-H312 VanDerWaalsContact C-N 3.33Å; A310-H312 PolarHBondContact O-N 2.95Å; H312-Y314 PolarHBondContact O-N 3.39Å; H312-A315 PolarHBondContact O-N 2.95Å; H312-T316 WeakPolarHBondContact O-CB 3.03Å; H312-T316 PolarHBondContact O-N 2.9Å; H312-T316 PolarHBondContact O-OG1 2.97Å
313P93.3Very high93.3Very high10 Ų1035.7 Ų35.77%0.06520%0.201CC..Hα-helixtrans-64.3-38.5-178.724-35.2000112.6W22 P24 I29 L309 A310 C317W22-P313 HydrophobicContact CH2-CG 4.31Å; W22-P313 HydrophobicContact CZ3-CG 4.37Å; P24-P313 HydrophobicContact CB-CB 4.39Å; P24-P313 HydrophobicContact CB-CG 4.01Å; I29-P313 HydrophobicContact CD1-CB 3.74Å; L309-P313 WeakPolarHBondContact O-CD 3.47Å; A310-P313 WeakPolarHBondContact O-CD 3.5Å; A310-P313 WeakPolarHBondContact O-CG 3.33Å; P313-C317 WeakPolarHBondContact O-CB 3.3Å; P313-C317 PolarHBondContact O-N 3.29Å
314Y94.4Very high93.5Very high88 Ų8832.3 Ų32.335%0.34518%0.177SC..Hα-helixtrans-71.1-40176.3-65.2-66.7000112.5W22 S25 I29 A311 H312 T316 C317 L318W22-Y314 AromaticContact CH2-CD2 3.8Å; W22-Y314 HydrophobicContact CH2-CD2 3.8Å; W22-Y314 AromaticContact CH2-CE2 3.26Å; W22-Y314 HydrophobicContact CH2-CE2 3.26Å; W22-Y314 HydrophobicContact CZ2-CD2 4.05Å; W22-Y314 AromaticContact CZ2-CE2 3.42Å; W22-Y314 HydrophobicContact CZ2-CE2 3.42Å; W22-Y314 VanDerWaalsContact CZ2-CE2 3.42Å; S25-Y314 PolarHBondContact OG-OH 3.08Å; S25-Y314 VanDerWaalsContact OG-OH 3.1Å; I29-Y314 HydrophobicContact CD1-CD1 4.12Å; I29-Y314 HydrophobicContact CD1-CE1 3.99Å; I29-Y314 HydrophobicContact CG1-CD1 4.23Å; I29-Y314 HydrophobicContact CG1-CE1 4.09Å; A311-Y314 PolarHBondContact O-N 2.88Å; H312-Y314 PolarHBondContact O-N 3.39Å; Y314-T316 VanDerWaalsContact C-N 3.33Å; Y314-T316 PolarHBondContact O-N 3.36Å; Y314-C317 WeakPolarHBondContact O-CB 3.47Å; Y314-C317 PolarHBondContact O-N 3.32Å; Y314-L318 WeakPolarHBondContact O-CB 3.41Å; Y314-L318 PolarHBondContact O-N 2.87Å
315A96.4Very high93.7Very high8 Ų832.5 Ų32.57%0.06618%0.179CC..Hα-helixtrans-63.1-40.7174.800000111.5P282 L283 A311 H312 L318 A319P282-A315 HydrophobicContact CB-CB 4.02Å; L283-A315 HydrophobicContact CB-CB 4.27Å; L283-A315 HydrophobicContact CD1-CB 4.38Å; A311-A315 VanDerWaalsContact O-CB 3.25Å; A311-A315 WeakPolarHBondContact O-CB 3.32Å; A311-A315 PolarHBondContact O-N 2.89Å; H312-A315 PolarHBondContact O-N 2.95Å; A315-L318 PolarHBondContact O-N 3.32Å; A315-A319 PolarHBondContact O-N 3.4Å
316T95.6Very high93.8Very high16 Ų1632 Ų3210%0.09818%0.176CC..Hα-helixtrans-63.6-43.9173-59.60000110.8L283 H312 Y314 L318 A319 Y320L283-T316 VanDerWaalsContact CD1-OG1 3.28Å; L283-T316 WeakPolarHBondContact CD1-OG1 3.27Å; H312-T316 WeakPolarHBondContact O-CB 3.03Å; H312-T316 PolarHBondContact O-N 2.9Å; H312-T316 PolarHBondContact O-OG1 2.97Å; Y314-T316 VanDerWaalsContact C-N 3.33Å; Y314-T316 PolarHBondContact O-N 3.36Å; T316-L318 VanDerWaalsContact C-N 3.35Å; T316-L318 PolarHBondContact O-N 2.84Å; T316-A319 PolarHBondContact O-N 2.85Å; T316-Y320 HydrophobicContact CG2-CD1 4.37Å; T316-Y320 HydrophobicContact CG2-CD2 4.37Å; T316-Y320 HydrophobicContact CG2-CE1 3.89Å; T316-Y320 HydrophobicContact CG2-CE2 3.89Å; T316-Y320 WeakPolarHBondContact O-CD1 3.46Å; T316-Y320 PolarHBondContact O-N 2.84Å
317C95.9Very high93.9Very high5 Ų529.5 Ų29.53%0.03417%0.165CC..Hα-helixtrans-59.1-46.4177.3-173.80000112.5I29 I32 Y33 P313 Y314 A319 Y320 L321I29-C317 HydrophobicContact CG2-CB 4.21Å; I32-C317 VanDerWaalsContact CG2-SG 3.54Å; Y33-C317 HydrophobicContact CE1-CB 4Å; P313-C317 WeakPolarHBondContact O-CB 3.3Å; P313-C317 PolarHBondContact O-N 3.29Å; Y314-C317 WeakPolarHBondContact O-CB 3.47Å; Y314-C317 PolarHBondContact O-N 3.32Å; C317-A319 PolarHBondContact O-N 2.89Å; C317-Y320 PolarHBondContact O-N 3.47Å; C317-L321 WeakPolarHBondContact O-CG 3.38Å; C317-L321 PolarHBondContact O-N 2.92Å; C317-L321 VanDerWaalsContact O-N 3.12Å
318L96.6Very high94Very high68 Ų6831.2 Ų31.236%0.35617%0.166SC..Hα-helixtrans-64-39.8177.5-177.761000112.1C279 P282 Y314 A315 T316 Y320 L321C279-L318 WeakPolarHBondContact CB-O 3.44Å; P282-L318 HydrophobicContact CG-CD2 3.92Å; Y314-L318 WeakPolarHBondContact O-CB 3.41Å; Y314-L318 PolarHBondContact O-N 2.87Å; A315-L318 PolarHBondContact O-N 3.32Å; T316-L318 VanDerWaalsContact C-N 3.35Å; T316-L318 PolarHBondContact O-N 2.84Å; L318-Y320 VanDerWaalsContact C-N 3.31Å; L318-Y320 PolarHBondContact O-N 3.42Å; L318-L321 PolarHBondContact O-N 3.38Å
319A96.4Very high93.9Very high0 Ų032.1 Ų32.10%017%0.171CC..Hα-helixtrans-60.7-39.9174.800000112.1C279 W280 L283 A315 T316 C317 N322C279-A319 WeakPolarHBondContact O-CA 3.42Å; C279-A319 PolarHBondContact O-N 3.45Å; W280-A319 HydrophobicContact CD2-CB 4.07Å; W280-A319 HydrophobicContact CE3-CB 4Å; W280-A319 HydrophobicContact CZ3-CB 4.26Å; L283-A319 HydrophobicContact CB-CB 4.21Å; L283-A319 HydrophobicContact CD2-CB 3.7Å; A315-A319 PolarHBondContact O-N 3.4Å; T316-A319 PolarHBondContact O-N 2.85Å; C317-A319 PolarHBondContact O-N 2.89Å; A319-N322 WeakPolarHBondContact O-CB 3.44Å; A319-N322 PolarHBondContact O-N 2.91Å
320Y95.8Very high93.8Very high24 Ų2428.4 Ų28.49%0.09415%0.152CC..Hα-helixtrans-69.2-33.1179-70.50.2000113Y33 F77 L81 W84 T108 T316 C317 L318 N322 S323Y33-Y320 HydrophobicContact CD1-CD2 4.3Å; Y33-Y320 AromaticContact CE1-CD2 3.53Å; Y33-Y320 HydrophobicContact CE1-CD2 3.53Å; Y33-Y320 HydrophobicContact CE1-CE2 4.38Å; Y33-Y320 HydrophobicContact CE1-CG 4.28Å; Y33-Y320 HydrophobicContact CE2-CD2 4.34Å; Y33-Y320 HydrophobicContact CE2-CE2 4.47Å; Y33-Y320 AromaticContact CZ-CD2 3.56Å; Y33-Y320 AromaticContact CZ-CE2 3.96Å; F77-Y320 HydrophobicContact CE1-CD1 4.44Å; F77-Y320 HydrophobicContact CE1-CG 4.31Å; F77-Y320 HydrophobicContact CE2-CD1 4.11Å; F77-Y320 HydrophobicContact CE2-CD2 4.41Å; F77-Y320 HydrophobicContact CE2-CE1 4.11Å; F77-Y320 HydrophobicContact CE2-CE2 4.41Å; F77-Y320 HydrophobicContact CE2-CG 4.28Å; F77-Y320 AromaticContact CZ-CD1 3.54Å; F77-Y320 HydrophobicContact CZ-CD1 3.54Å; F77-Y320 AromaticContact CZ-CD2 3.82Å; F77-Y320 HydrophobicContact CZ-CD2 3.82Å; F77-Y320 HydrophobicContact CZ-CE1 4.01Å; F77-Y320 HydrophobicContact CZ-CE2 4.27Å; F77-Y320 AromaticContact CZ-CG 3.45Å; F77-Y320 HydrophobicContact CZ-CG 3.45Å; F77-Y320 VanDerWaalsContact CZ-CG 3.45Å; L81-Y320 HydrophobicContact CD2-CD2 3.6Å; L81-Y320 HydrophobicContact CD2-CE2 4.25Å; L81-Y320 HydrophobicContact CD2-CG 4.23Å; W84-Y320 HydrophobicContact CG-CE2 4.38Å; T108-Y320 HydrophobicContact CG2-CE1 3.65Å; T316-Y320 HydrophobicContact CG2-CD1 4.37Å; T316-Y320 HydrophobicContact CG2-CD2 4.37Å; T316-Y320 HydrophobicContact CG2-CE1 3.89Å; T316-Y320 HydrophobicContact CG2-CE2 3.89Å; T316-Y320 WeakPolarHBondContact O-CD1 3.46Å; T316-Y320 PolarHBondContact O-N 2.84Å; C317-Y320 PolarHBondContact O-N 3.47Å; L318-Y320 VanDerWaalsContact C-N 3.31Å; L318-Y320 PolarHBondContact O-N 3.42Å; Y320-N322 PolarHBondContact O-N 2.92Å; Y320-N322 VanDerWaalsContact O-N 3.17Å; Y320-S323 PolarHBondContact O-N 3.07Å
321L96Very high93.8Very high44 Ų4430 Ų3023%0.2317%0.165CC..Hα-helixtrans-61.4-22175.5-72.5177.1000113.3I32 A36 C317 L318 S323 C324 L325I32-L321 HydrophobicContact CG2-CD1 4.05Å; I32-L321 HydrophobicContact CG2-CD2 3.66Å; I32-L321 HydrophobicContact CG2-CG 4.1Å; A36-L321 HydrophobicContact CB-CD2 3.85Å; C317-L321 WeakPolarHBondContact O-CG 3.38Å; C317-L321 PolarHBondContact O-N 2.92Å; C317-L321 VanDerWaalsContact O-N 3.12Å; L318-L321 PolarHBondContact O-N 3.38Å; L321-S323 PolarHBondContact O-N 2.91Å; L321-S323 VanDerWaalsContact O-N 3.12Å; L321-C324 VanDerWaalsContact CD2-SG 3.58Å; L321-C324 PolarHBondContact O-N 2.94Å; L321-C324 PolarHBondContact O-SG 3.11Å; L321-L325 VanDerWaalsContact O-CG 3.3Å; L321-L325 WeakPolarHBondContact O-CG 3.31Å; L321-L325 PolarHBondContact O-N 3.39Å; L321-L325 VanDerWaalsContact O-N 3.07Å
322N94.9Very high93.6Very high1 Ų131.3 Ų31.31%0.00518%0.176CC..Hα-helixtrans-47.2-43.5173.817767.5000112.3F276 C279 W280 A319 Y320 C324 L325F276-N322 VanDerWaalsContact CA-OD1 3.3Å; F276-N322 WeakPolarHBondContact CA-OD1 3.29Å; C279-N322 HydrophobicContact CB-CB 3.83Å; W280-N322 PolarHBondContact NE1-ND2 3.49Å; A319-N322 WeakPolarHBondContact O-CB 3.44Å; A319-N322 PolarHBondContact O-N 2.91Å; Y320-N322 PolarHBondContact O-N 2.92Å; Y320-N322 VanDerWaalsContact O-N 3.17Å; N322-C324 PolarHBondContact O-N 3.41Å; N322-L325 PolarHBondContact O-N 3.22Å
323S95.4Very high93.1Very high0 Ų029.5 Ų29.50%017%0.171CC..Hα-helixtrans-70.4-27.2-176.1-71.20000114N44 D74 N111 Y320 L321N44-S323 PolarHBondContact ND2-O 3.5Å; D74-S323 VanDerWaalsContact OD1-CA 3.28Å; D74-S323 WeakPolarHBondContact OD1-CA 3.41Å; D74-S323 WeakPolarHBondContact OD1-CB 3.22Å; D74-S323 PolarHBondContact OD1-OG 3.01Å; N111-S323 PolarHBondContact ND2-OG 3.47Å; Y320-S323 PolarHBondContact O-N 3.07Å; L321-S323 PolarHBondContact O-N 2.91Å; L321-S323 VanDerWaalsContact O-N 3.12Å
324C94.4Very high92.6Very high10 Ų1029.2 Ų29.27%0.06817%0.169CC..Hα-helixtrans-90.8-16.8175.468.20000113.2A36 L321 N322A36-C324 HydrophobicContact CB-CB 4.27Å; L321-C324 VanDerWaalsContact CD2-SG 3.58Å; L321-C324 PolarHBondContact O-N 2.94Å; L321-C324 PolarHBondContact O-SG 3.11Å; N322-C324 PolarHBondContact O-N 3.41Å
325L94.3Very high92Very high55 Ų5526.4 Ų26.429%0.28816%0.162SC..Hα-helixtrans-72.2-31.6176.9-71.2173.2000112.6C279 L321 N322 L328 L329C279-L325 VanDerWaalsContact SG-CD1 3.55Å; L321-L325 VanDerWaalsContact O-CG 3.3Å; L321-L325 WeakPolarHBondContact O-CG 3.31Å; L321-L325 PolarHBondContact O-N 3.39Å; L321-L325 VanDerWaalsContact O-N 3.07Å; N322-L325 PolarHBondContact O-N 3.22Å; L325-L328 HydrophobicContact CD2-CD1 4.43Å; L325-L328 WeakPolarHBondContact O-CB 3.49Å; L325-L328 PolarHBondContact O-N 3.47Å; L325-L329 HydrophobicContact CB-CD1 4.34Å; L325-L329 VanDerWaalsContact O-CG 3.31Å; L325-L329 WeakPolarHBondContact O-CG 3.45Å; L325-L329 PolarHBondContact O-N 2.99Å
326N91.9Very high91.1Very high1 Ų126.9 Ų26.91%0.00517%0.166CC..Hα-helixtrans-52.6-53.8-175-71.1-23.9000113.5D74 L272 L328 L329 Y330D74-N326 PolarHBondContact OD2-ND2 3.15Å; L272-N326 HydrophobicContact CD2-CB 4.47Å; N326-L328 VanDerWaalsContact C-N 3.32Å; N326-L328 PolarHBondContact O-N 3.05Å; N326-L329 PolarHBondContact O-N 3.18Å; N326-Y330 HydrophobicContact CB-CE2 4.27Å; N326-Y330 WeakPolarHBondContact O-CD2 3.07Å; N326-Y330 PolarHBondContact O-N 2.93Å
327P92.2Very high90.6Very high11 Ų1126.6 Ų26.67%0.07116%0.163CC..Hα-helixtrans-57.3-39.4174.9-25.935.1000114.5N44 V47 Y330 A331N44-P327 HydrophobicContact CB-CG 4.35Å; N44-P327 WeakPolarHBondContact OD1-CG 3.18Å; V47-P327 HydrophobicContact CG2-CB 4.2Å; V47-P327 HydrophobicContact CG2-CG 4.28Å; P327-Y330 PolarHBondContact O-N 3.24Å; P327-A331 PolarHBondContact O-N 3.37Å
328L92.3Very high90.2Very high89 Ų8932.2 Ų32.247%0.46618%0.183SC..Hα-helixtrans-66.2-41179.4-58.3177.8000110.9V39 L325 N326 A331 A332V39-L328 HydrophobicContact CG1-CD2 4.31Å; L325-L328 HydrophobicContact CD2-CD1 4.43Å; L325-L328 WeakPolarHBondContact O-CB 3.49Å; L325-L328 PolarHBondContact O-N 3.47Å; N326-L328 VanDerWaalsContact C-N 3.32Å; N326-L328 PolarHBondContact O-N 3.05Å; L328-A331 PolarHBondContact O-N 3.03Å; L328-A332 WeakPolarHBondContact O-CB 3.43Å; L328-A332 PolarHBondContact O-N 3.32Å
329L91.3Very high89.7Confident34 Ų3434.9 Ų34.918%0.17819%0.194CC..Hα-helixtrans-67.1-36.8175.9-64.4174.4000111.6T271 L272 A275 L325 N326 A332 C333T271-L329 HydrophobicContact CG2-CD1 4.33Å; T271-L329 HydrophobicContact CG2-CD2 3.79Å; T271-L329 HydrophobicContact CG2-CG 4.42Å; L272-L329 HydrophobicContact CD2-CB 3.94Å; L272-L329 HydrophobicContact CD2-CD1 3.93Å; A275-L329 HydrophobicContact CB-CD1 3.47Å; A275-L329 VanDerWaalsContact CB-CD1 3.47Å; L325-L329 HydrophobicContact CB-CD1 4.34Å; L325-L329 VanDerWaalsContact O-CG 3.31Å; L325-L329 WeakPolarHBondContact O-CG 3.45Å; L325-L329 PolarHBondContact O-N 2.99Å; N326-L329 PolarHBondContact O-N 3.18Å; L329-A332 PolarHBondContact O-N 2.94Å; L329-C333 WeakPolarHBondContact O-CA 3.21Å; L329-C333 VanDerWaalsContact O-CB 3.23Å; L329-C333 WeakPolarHBondContact O-CB 3.5Å; L329-C333 PolarHBondContact O-N 2.99Å
330Y88.6Confident89.2Confident3 Ų336.8 Ų36.81%0.01220%0.201CC..Hα-helixtrans-63.8-44.9170.9-65.7-52.7000111.8V47 I67 V268 L272 N326 P327 A332 D334V47-Y330 HydrophobicContact CG1-CD2 4.3Å; V47-Y330 HydrophobicContact CG1-CE2 4.09Å; V47-Y330 HydrophobicContact CG2-CD2 3.84Å; V47-Y330 HydrophobicContact CG2-CE2 4.36Å; I67-Y330 HydrophobicContact CG2-CE1 4.49Å; I67-Y330 HydrophobicContact CG2-CE2 4.24Å; V268-Y330 HydrophobicContact CG1-CD1 3.93Å; V268-Y330 HydrophobicContact CG1-CE1 3.94Å; L272-Y330 HydrophobicContact CD1-CE1 3.54Å; L272-Y330 WeakPolarHBondContact CD1-OH 3.31Å; L272-Y330 HydrophobicContact CD2-CE1 4.28Å; L272-Y330 HydrophobicContact CG-CE1 4.42Å; N326-Y330 HydrophobicContact CB-CE2 4.27Å; N326-Y330 WeakPolarHBondContact O-CD2 3.07Å; N326-Y330 PolarHBondContact O-N 2.93Å; P327-Y330 PolarHBondContact O-N 3.24Å; Y330-A332 VanDerWaalsContact C-N 3.34Å; Y330-A332 PolarHBondContact O-N 2.95Å; Y330-D334 WeakPolarHBondContact O-CA 3.5Å; Y330-D334 VanDerWaalsContact O-CB 3.3Å; Y330-D334 WeakPolarHBondContact O-CB 3.33Å; Y330-D334 PolarHBondContact O-N 3.41Å
331A88.2Confident88.7Confident44 Ų4436.3 Ų36.336%0.36420%0.201SC..Hα-helixtrans-62.4-4017800000112.4P327 L328 R338P327-A331 PolarHBondContact O-N 3.37Å; L328-A331 PolarHBondContact O-N 3.03Å; A331-R338 VanDerWaalsContact O-CD 3.26Å; A331-R338 WeakPolarHBondContact O-CD 3.3Å
332A87.9Confident88.3Confident73 Ų7342.7 Ų42.760%0.60322%0.222SC*.Hα-helixtrans-77.3-43.4-179.400000113.1L328 L329 Y330L328-A332 WeakPolarHBondContact O-CB 3.43Å; L328-A332 PolarHBondContact O-N 3.32Å; L329-A332 PolarHBondContact O-N 2.94Å; Y330-A332 VanDerWaalsContact C-N 3.34Å; Y330-A332 PolarHBondContact O-N 2.95Å
333C83.4Confident87.7Confident36 Ų3645.4 Ų45.424%0.24324%0.244CC..Hα-helixtrans-106.7-14.7-167.2-58.30000114.6V268 L329 P335V268-C333 HydrophobicContact CG2-CB 4.18Å; V268-C333 WeakPolarHBondContact CG2-O 3.39Å; L329-C333 WeakPolarHBondContact O-CA 3.21Å; L329-C333 VanDerWaalsContact O-CB 3.23Å; L329-C333 WeakPolarHBondContact O-CB 3.5Å; L329-C333 PolarHBondContact O-N 2.99Å; C333-P335 VanDerWaalsContact O-CD 3.25Å; C333-P335 WeakPolarHBondContact O-CD 3.48Å
334D82.7Confident86.9Confident3 Ų346.2 Ų46.22%0.01625%0.25CC..  trans-113.491.8179.6-169.61.6000113Y51 V268 Y330 A336 F337 R338Y51-D334 PolarHBondContact OH-OD2 2.84Å; V268-D334 HydrophobicContact CG2-CB 3.82Å; Y330-D334 WeakPolarHBondContact O-CA 3.5Å; Y330-D334 VanDerWaalsContact O-CB 3.3Å; Y330-D334 WeakPolarHBondContact O-CB 3.33Å; Y330-D334 PolarHBondContact O-N 3.41Å; D334-A336 PolarHBondContact O-N 3.24Å; D334-A336 WeakPolarHBondContact OD1-CA 3.37Å; D334-A336 VanDerWaalsContact OD1-CB 3.29Å; D334-A336 WeakPolarHBondContact OD1-CB 3.4Å; D334-A336 PolarHBondContact OD1-N 2.94Å; D334-F337 HydrophobicContact CB-CB 3.78Å; D334-F337 WeakPolarHBondContact O-CB 3.35Å; D334-F337 PolarHBondContact O-N 2.67Å; D334-F337 VanDerWaalsContact O-N 3.11Å; D334-F337 PolarHBondContact OD1-N 3.03Å; D334-R338 PolarHBondContact O-N 3.28Å
335P81.3Confident86.1Confident30 Ų3050.5 Ų50.520%0.19527%0.271CS..Hα-helixtrans-56.2-30.8171.7-22.628.1000114.2C333 R338 E339C333-P335 VanDerWaalsContact O-CD 3.25Å; C333-P335 WeakPolarHBondContact O-CD 3.48Å; P335-R338 PolarHBondContact O-N 3.33Å; P335-E339 WeakPolarHBondContact O-CG 3.2Å; P335-E339 PolarHBondContact O-N 3.42Å
336A79Confident85Confident18 Ų1853.8 Ų53.815%0.14929%0.288CS..Hα-helixtrans-71.3-34.8179.300000111.1D334 E339 R340D334-A336 PolarHBondContact O-N 3.24Å; D334-A336 WeakPolarHBondContact OD1-CA 3.37Å; D334-A336 VanDerWaalsContact OD1-CB 3.29Å; D334-A336 WeakPolarHBondContact OD1-CB 3.4Å; D334-A336 PolarHBondContact OD1-N 2.94Å; A336-E339 PolarHBondContact O-N 3.07Å; A336-R340 WeakPolarHBondContact O-CD 3.25Å; A336-R340 WeakPolarHBondContact O-CG 3.27Å; A336-R340 PolarHBondContact O-N 3.23Å
337F84.6Confident83.7Confident10 Ų1059.1 Ų59.14%0.04432%0.321CS..Hα-helixtrans-60.2-46.1170.7175-110.4000111.4L46 V47 Y51 D334 E339 R340 C341L46-F337 HydrophobicContact CD2-CZ 4.49Å; V47-F337 HydrophobicContact CG2-CE2 3.84Å; V47-F337 HydrophobicContact CG2-CZ 3.71Å; Y51-F337 AromaticContact CE2-CD2 3.7Å; Y51-F337 HydrophobicContact CE2-CD2 3.7Å; Y51-F337 HydrophobicContact CE2-CE2 4.17Å; D334-F337 HydrophobicContact CB-CB 3.78Å; D334-F337 WeakPolarHBondContact O-CB 3.35Å; D334-F337 PolarHBondContact O-N 2.67Å; D334-F337 VanDerWaalsContact O-N 3.11Å; D334-F337 PolarHBondContact OD1-N 3.03Å; F337-E339 PolarHBondContact O-N 3.01Å; F337-R340 PolarHBondContact O-N 3.37Å; F337-C341 WeakPolarHBondContact CE2-SG 3.16Å; F337-C341 WeakPolarHBondContact CZ-SG 3.29Å; F337-C341 PolarHBondContact O-N 3.34Å; F337-C341 PolarHBondContact O-SG 2.95Å
338R87.6Confident81.9Confident123 Ų12367.6 Ų67.646%0.46435%0.351SS..Hα-helixtrans-60.6-44177.1-67-173-66.4-177.53.1113A331 D334 P335 R340 C341 R342A331-R338 VanDerWaalsContact O-CD 3.26Å; A331-R338 WeakPolarHBondContact O-CD 3.3Å; D334-R338 PolarHBondContact O-N 3.28Å; P335-R338 PolarHBondContact O-N 3.33Å; R338-R340 VanDerWaalsContact C-N 3.34Å; R338-R340 PolarHBondContact O-N 2.64Å; R338-C341 PolarHBondContact O-N 2.92Å; R338-R342 WeakPolarHBondContact O-CG 3.35Å; R338-R342 PolarHBondContact O-N 3.33Å
339E86.1Confident79.7Confident124 Ų12470.9 Ų70.958%0.57938%0.38SS*.Hα-helixtrans-60.5-43.8176-76.2168.2-166.800111.6P335 A336 F337 R342 A343P335-E339 WeakPolarHBondContact O-CG 3.2Å; P335-E339 PolarHBondContact O-N 3.42Å; A336-E339 PolarHBondContact O-N 3.07Å; F337-E339 PolarHBondContact O-N 3.01Å; E339-R342 PolarHBondContact O-N 3.07Å; E339-A343 WeakPolarHBondContact O-CB 3.05Å; E339-A343 PolarHBondContact O-N 2.05Å
340R85.1Confident79.2Confident40 Ų4072.8 Ų72.815%0.15139%0.39CS..Hα-helixtrans-65.8-42.1177.1-67.3156-175.417937112V50 Y51 Q54 Y64 A336 F337 R338 R342 A343 T344V50-R340 HydrophobicContact CG1-CB 3.77Å; Y51-R340 PolarHBondContact OH-NH1 3.35Å; Q54-R340 VanDerWaalsContact NE2-CG 3.26Å; Q54-R340 VanDerWaalsContact OE1-CZ 3.24Å; Q54-R340 VanDerWaalsContact OE1-NE 3.16Å; Y64-R340 VanDerWaalsContact OH-CZ 3.28Å; Y64-R340 PolarHBondContact OH-NH1 2.97Å; Y64-R340 PolarHBondContact OH-NH2 3.46Å; A336-R340 WeakPolarHBondContact O-CD 3.25Å; A336-R340 WeakPolarHBondContact O-CG 3.27Å; A336-R340 PolarHBondContact O-N 3.23Å; F337-R340 PolarHBondContact O-N 3.37Å; R338-R340 VanDerWaalsContact C-N 3.34Å; R338-R340 PolarHBondContact O-N 2.64Å; R340-R342 PolarHBondContact O-N 3.29Å; R340-A343 PolarHBondContact O-N 3.16Å; R340-T344 PolarHBondContact O-N 3.06Å; R340-T344 PolarHBondContact O-OG1 3.2Å
341C86.1Confident78.7Confident13 Ų1376.4 Ų76.49%0.08841%0.41CS..Hα-helixtrans-58.7-48.7175.3-68.10000110.6F337 R338 A343 T344 L345F337-C341 WeakPolarHBondContact CE2-SG 3.16Å; F337-C341 WeakPolarHBondContact CZ-SG 3.29Å; F337-C341 PolarHBondContact O-N 3.34Å; F337-C341 PolarHBondContact O-SG 2.95Å; R338-C341 PolarHBondContact O-N 2.92Å; C341-A343 PolarHBondContact O-N 3.44Å; C341-T344 PolarHBondContact O-N 3.17Å; C341-L345 WeakPolarHBondContact O-CB 3.16Å; C341-L345 VanDerWaalsContact O-CG 3.31Å; C341-L345 WeakPolarHBondContact O-CG 3.17Å; C341-L345 PolarHBondContact O-N 3.4Å
342R86.6Confident78.1Confident179 Ų17978.2 Ų78.268%0.67541%0.413SS*.Hα-helixtrans-57.9-48.2175.5-72.8178-179.4-172-1.9112.1R338 E339 R340 T344 L345 L346R338-R342 WeakPolarHBondContact O-CG 3.35Å; R338-R342 PolarHBondContact O-N 3.33Å; E339-R342 PolarHBondContact O-N 3.07Å; R340-R342 PolarHBondContact O-N 3.29Å; R342-T344 PolarHBondContact O-N 2.99Å; R342-L345 PolarHBondContact O-N 3.45Å; R342-L346 WeakPolarHBondContact O-CB 3.18Å; R342-L346 VanDerWaalsContact O-CG 3.27Å; R342-L346 WeakPolarHBondContact O-CG 3.42Å; R342-L346 PolarHBondContact O-N 3.29Å
343A83.2Confident77.6Confident57 Ų5778.5 Ų78.547%0.47140%0.402SS..Hα-helixtrans-61-34.617900000112.5E339 R340 C341 V347E339-A343 WeakPolarHBondContact O-CB 3.05Å; E339-A343 PolarHBondContact O-N 2.05Å; R340-A343 PolarHBondContact O-N 3.16Å; C341-A343 PolarHBondContact O-N 3.44Å; A343-V347 WeakPolarHBondContact O-CG2 3.48Å; A343-V347 PolarHBondContact O-N 3.08Å
344T79.1Confident77.2Confident18 Ų1881.2 Ų81.211%0.1141%0.412CS..Hα-helixtrans-80.9-31.9-179.5-30.90000112.2W49 R340 C341 R342 V347W49-T344 HydrophobicContact CE3-CG2 4.04Å; W49-T344 HydrophobicContact CH2-CG2 3.07Å; W49-T344 HydrophobicContact CZ2-CG2 3.64Å; W49-T344 HydrophobicContact CZ3-CG2 3.28Å; R340-T344 PolarHBondContact O-N 3.06Å; R340-T344 PolarHBondContact O-OG1 3.2Å; C341-T344 PolarHBondContact O-N 3.17Å; R342-T344 PolarHBondContact O-N 2.99Å; T344-V347 PolarHBondContact O-N 3Å
345L77.1Confident76.8Confident100 Ų10086.4 Ų86.452%0.52444%0.438SS..Hα-helixtrans-69.8-36.9172.3-69.9169.6000112.2C341 R342 V347 W348 C349C341-L345 WeakPolarHBondContact O-CB 3.16Å; C341-L345 VanDerWaalsContact O-CG 3.31Å; C341-L345 WeakPolarHBondContact O-CG 3.17Å; C341-L345 PolarHBondContact O-N 3.4Å; R342-L345 PolarHBondContact O-N 3.45Å; L345-V347 PolarHBondContact O-N 2.95Å; L345-W348 WeakPolarHBondContact O-CB 3.37Å; L345-W348 PolarHBondContact O-N 3.22Å; L345-C349 PolarHBondContact O-N 3.41Å
346L71.8Confident76.5Confident123 Ų12390.4 Ų90.464%0.64446%0.455SS*.THydrogen-bonded Turntrans-71.5-12.6176-72.8170.7000114.3R342 W348 C349R342-L346 WeakPolarHBondContact O-CB 3.18Å; R342-L346 VanDerWaalsContact O-CG 3.27Å; R342-L346 WeakPolarHBondContact O-CG 3.42Å; R342-L346 PolarHBondContact O-N 3.29Å; L346-W348 VanDerWaalsContact C-N 3.28Å; L346-C349 VanDerWaalsContact O-OXT 3.07Å
347V63.8Low76.3Confident114 Ų11496 Ų9669%0.69148%0.479SS*.THydrogen-bonded Turntrans-83.4-12.6170.6171.10000110.9A343 T344 L345A343-V347 WeakPolarHBondContact O-CG2 3.48Å; A343-V347 PolarHBondContact O-N 3.08Å; T344-V347 PolarHBondContact O-N 3Å; L345-V347 PolarHBondContact O-N 2.95Å
348W54.6Low75.6Confident188 Ų188103.2 Ų103.271%0.71252%0.515SS*.THydrogen-bonded Turntrans-101.3-24.3178.6-83.167000113.8W49 L345 L346W49-W348 AromaticContact CH2-NE1 3.66Å; W49-W348 AromaticContact CZ2-NE1 3.56Å; L345-W348 WeakPolarHBondContact O-CB 3.37Å; L345-W348 PolarHBondContact O-N 3.22Å; L346-W348 VanDerWaalsContact C-N 3.28Å
349C46.6Very low74.6Confident159 Ų159101.4 Ų101.4100%1.07452%0.52SS*.  trans-88.20167.1-62.50000109.7L345 L346L345-C349 PolarHBondContact O-N 3.41Å; L346-C349 VanDerWaalsContact O-OXT 3.07Å

Retrieved 349 of 349 residues in 199.4 ms (Link to these results)