X2JEH3_DROME Loading...

Mediator of RNA polymerase II transcription subunit 12

AlphaFold DB , UniProt , Accession X2JEH3, Species DROME (Drosophila melanogaster, Fruit fly), Gene Dmel\CG5674, Length 445 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
1M52Low54.2Low199 Ų199125.4 Ų125.498%0.9864%0.642SS**  0-32.30-95.3-165.4-95.500112.8
2E50.4Low54.7Low171 Ų171122.3 Ų122.380%0.79963%0.634SS**Hα-helixtrans-71.4-35.2174.5-88.7170.5140.800114.4A4 R5 M6E2-A4 PolarHBondContact O-N 3.16Å; E2-R5 PolarHBondContact O-N 3.49Å; E2-M6 PolarHBondContact O-N 3.24Å; E2-M6 VanDerWaalsContact O-N 3.15Å
3T52.3Low54.9Low109 Ų109123.3 Ų123.367%0.66963%0.633SS**Hα-helixtrans-63.3-42.1-179.443.70000113.1R5 M6 E7T3-R5 VanDerWaalsContact C-N 3.3Å; T3-R5 PolarHBondContact O-N 3.01Å; T3-M6 PolarHBondContact O-N 3.29Å; T3-E7 PolarHBondContact O-N 3.48Å
4A52.1Low54.8Low55 Ų55122.8 Ų122.846%0.45562%0.624SS.*Hα-helixtrans-66.4-29.3176.600000113.4E2 T8E2-A4 PolarHBondContact O-N 3.16Å; A4-T8 PolarHBondContact O-N 3.32Å; A4-T8 PolarHBondContact O-OG1 3.14Å
5R52.7Low54.8Low193 Ų193118.5 Ų118.573%0.72860%0.602SS**Hα-helixtrans-74.5-34175.3-72.7-176.4178.71720.3111.7E2 T3 A9E2-R5 PolarHBondContact O-N 3.49Å; T3-R5 VanDerWaalsContact C-N 3.3Å; T3-R5 PolarHBondContact O-N 3.01Å; R5-A9 WeakPolarHBondContact O-CB 3.28Å; R5-A9 PolarHBondContact O-N 3.13Å; R5-A9 VanDerWaalsContact O-N 3.08Å
6M53.4Low55Low126 Ų126115.9 Ų115.962%0.62160%0.604SS**Hα-helixtrans-74.4-38.8179.6-149.6175.282.900112.2E2 T3 A9 M10E2-M6 PolarHBondContact O-N 3.24Å; E2-M6 VanDerWaalsContact O-N 3.15Å; T3-M6 PolarHBondContact O-N 3.29Å; M6-A9 PolarHBondContact O-N 3.17Å; M6-M10 WeakPolarHBondContact O-CG 3.47Å; M6-M10 PolarHBondContact O-N 3.49Å
7E53Low55Low139 Ų139119.2 Ų119.265%0.6561%0.612SS**Hα-helixtrans-59.3-45.6170.5-92.9178.9145.500111.6T3 A9 M10 E11T3-E7 PolarHBondContact O-N 3.48Å; E7-A9 VanDerWaalsContact C-N 3.32Å; E7-A9 PolarHBondContact O-N 2.85Å; E7-M10 PolarHBondContact O-N 3.27Å; E7-E11 WeakPolarHBondContact O-CB 3.43Å; E7-E11 PolarHBondContact O-N 3.26Å
8T59.8Low54.7Low84 Ų84119.3 Ų119.352%0.51561%0.611SS.*Hα-helixtrans-62.4-38.4178-48.90000112.3A4 T12A4-T8 PolarHBondContact O-N 3.32Å; A4-T8 PolarHBondContact O-OG1 3.14Å; T8-T12 WeakPolarHBondContact O-CB 3.37Å; T8-T12 VanDerWaalsContact O-CG2 3.31Å; T8-T12 WeakPolarHBondContact O-CG2 3.29Å; T8-T12 PolarHBondContact O-N 2.8Å; T8-T12 PolarHBondContact O-OG1 3.15Å
9A59Low54.8Low55 Ų55115.9 Ų115.946%0.45561%0.609SS.*Hα-helixtrans-69.9-36.3177.500000112.8R5 M6 E7 T12 H13R5-A9 WeakPolarHBondContact O-CB 3.28Å; R5-A9 PolarHBondContact O-N 3.13Å; R5-A9 VanDerWaalsContact O-N 3.08Å; M6-A9 PolarHBondContact O-N 3.17Å; E7-A9 VanDerWaalsContact C-N 3.32Å; E7-A9 PolarHBondContact O-N 2.85Å; A9-T12 WeakPolarHBondContact CA-OG1 3.34Å; A9-T12 PolarHBondContact O-OG1 3.35Å; A9-H13 VanDerWaalsContact O-CB 3.32Å; A9-H13 WeakPolarHBondContact O-CB 3.22Å; A9-H13 PolarHBondContact O-N 3.39Å; A9-H13 VanDerWaalsContact O-N 3.14Å
10M56.2Low54.9Low120 Ų120116.8 Ų116.859%0.59161%0.608SS**Hα-helixtrans-74.7-35.6176.2-67.8-153.4-54.300112.1M6 E7 H13 F14M6-M10 WeakPolarHBondContact O-CG 3.47Å; M6-M10 PolarHBondContact O-N 3.49Å; E7-M10 PolarHBondContact O-N 3.27Å; M10-H13 PolarHBondContact O-N 3.33Å; M10-F14 WeakPolarHBondContact O-CB 3.5Å; M10-F14 PolarHBondContact O-N 3.45Å
11E55.7Low54.9Low128 Ų128122.8 Ų122.860%0.59862%0.623SS**Hα-helixtrans-69.6-40.9177.5-169.4164.5-168.600112E7 F14 M15E7-E11 WeakPolarHBondContact O-CB 3.43Å; E7-E11 PolarHBondContact O-N 3.26Å; E11-F14 PolarHBondContact O-N 3.28Å; E11-M15 WeakPolarHBondContact O-CB 3.27Å; E11-M15 VanDerWaalsContact O-CG 3.24Å; E11-M15 WeakPolarHBondContact O-CG 3.44Å; E11-M15 PolarHBondContact O-N 2.95Å
12T59.5Low55.3Low89 Ų89116.5 Ų116.555%0.54659%0.592SS.*Hα-helixtrans-65.1-41173.147.30000112.3T8 A9 M15 A16T8-T12 WeakPolarHBondContact O-CB 3.37Å; T8-T12 VanDerWaalsContact O-CG2 3.31Å; T8-T12 WeakPolarHBondContact O-CG2 3.29Å; T8-T12 PolarHBondContact O-N 2.8Å; T8-T12 PolarHBondContact O-OG1 3.15Å; A9-T12 WeakPolarHBondContact CA-OG1 3.34Å; A9-T12 PolarHBondContact O-OG1 3.35Å; T12-M15 PolarHBondContact O-N 3.49Å; T12-A16 PolarHBondContact O-N 3.36Å
13H57.1Low56.6Low135 Ų135111.8 Ų111.863%0.62557%0.574SS**Hα-helixtrans-66.3-37174.9-171.471000112.4A9 M10 A16 K17A9-H13 VanDerWaalsContact O-CB 3.32Å; A9-H13 WeakPolarHBondContact O-CB 3.22Å; A9-H13 PolarHBondContact O-N 3.39Å; A9-H13 VanDerWaalsContact O-N 3.14Å; M10-H13 PolarHBondContact O-N 3.33Å; H13-A16 PolarHBondContact O-N 3.47Å; H13-K17 WeakPolarHBondContact O-CB 3.37Å; H13-K17 PolarHBondContact O-N 3.48Å
14F54.5Low57.7Low116 Ų116111.8 Ų111.851%0.50958%0.577SS.*Hα-helixtrans-69.1-39.3175.9-175.7-103000112.5M10 E11 K17 M18M10-F14 WeakPolarHBondContact O-CB 3.5Å; M10-F14 PolarHBondContact O-N 3.45Å; E11-F14 PolarHBondContact O-N 3.28Å; F14-K17 PolarHBondContact O-N 2.85Å; F14-M18 HydrophobicContact CD1-CG 4.43Å; F14-M18 HydrophobicContact CE1-CG 4.14Å; F14-M18 HydrophobicContact CE2-CG 4.4Å; F14-M18 HydrophobicContact CZ-CG 4.13Å; F14-M18 HydrophobicContact CZ-SD 4.42Å; F14-M18 WeakPolarHBondContact O-CB 3.46Å; F14-M18 VanDerWaalsContact O-CG 3.23Å; F14-M18 WeakPolarHBondContact O-CG 3.4Å; F14-M18 PolarHBondContact O-N 2.9Å; F14-M18 VanDerWaalsContact O-N 3.11Å
15M54.2Low58.7Low59 Ų59115 Ų11529%0.29158%0.582SS.*Hα-helixtrans-65.2-38.9173.8-69.4-69.910000112.3E11 T12 M18 K20E11-M15 WeakPolarHBondContact O-CB 3.27Å; E11-M15 VanDerWaalsContact O-CG 3.24Å; E11-M15 WeakPolarHBondContact O-CG 3.44Å; E11-M15 PolarHBondContact O-N 2.95Å; T12-M15 PolarHBondContact O-N 3.49Å; M15-M18 PolarHBondContact O-N 3.18Å; M15-K20 HydrophobicContact CE-CD 3.8Å; M15-K20 PolarHBondContact O-N 2.79Å; M15-K20 HydrophobicContact SD-CB 4.4Å; M15-K20 HydrophobicContact SD-CD 3.26Å; M15-K20 WeakPolarHBondContact SD-CD 3.43Å; M15-K20 HydrophobicContact SD-CG 4.46Å
16A58.1Low59.8Low77 Ų77110.5 Ų110.564%0.63657%0.569SS**Hα-helixtrans-65.5-38.7174.100000112.6T12 H13 M18T12-A16 PolarHBondContact O-N 3.36Å; H13-A16 PolarHBondContact O-N 3.47Å; A16-M18 VanDerWaalsContact C-N 3.32Å; A16-M18 PolarHBondContact O-N 3.25Å
17K55Low61Low171 Ų171108.2 Ų108.274%0.74356%0.557SS**Hα-helixtrans-68.9-26.9177-170.3171.8-177.2177.60113.3H13 F14H13-K17 WeakPolarHBondContact O-CB 3.37Å; H13-K17 PolarHBondContact O-N 3.48Å; F14-K17 PolarHBondContact O-N 2.85Å
18M50.2Low62.5Low121 Ų121104.4 Ų104.460%0.59655%0.55SS*.THydrogen-bonded Turntrans-88.87.2-177.2-71.1-67.7-73.200114.3F14 M15 A16 K20F14-M18 HydrophobicContact CD1-CG 4.43Å; F14-M18 HydrophobicContact CE1-CG 4.14Å; F14-M18 HydrophobicContact CE2-CG 4.4Å; F14-M18 HydrophobicContact CZ-CG 4.13Å; F14-M18 HydrophobicContact CZ-SD 4.42Å; F14-M18 WeakPolarHBondContact O-CB 3.46Å; F14-M18 VanDerWaalsContact O-CG 3.23Å; F14-M18 WeakPolarHBondContact O-CG 3.4Å; F14-M18 PolarHBondContact O-N 2.9Å; F14-M18 VanDerWaalsContact O-N 3.11Å; M15-M18 PolarHBondContact O-N 3.18Å; A16-M18 VanDerWaalsContact C-N 3.32Å; A16-M18 PolarHBondContact O-N 3.25Å; M18-K20 PolarHBondContact O-N 3.43Å; M18-K20 VanDerWaalsContact O-N 3.07Å
19G55.5Low63.6Low55 Ų55107.8 Ų107.857%0.56755%0.553SS**THydrogen-bonded Turntrans60.720.1-17800000113.1W21G19-W21 VanDerWaalsContact C-N 3.33Å; G19-W21 PolarHBondContact O-N 3.17Å
20K57Low64.9Low134 Ų134110 Ų11058%0.58355%0.553SS**  trans-72.298170.6-91.8177.5171.3-1650106.7M15 M18 M22M15-K20 HydrophobicContact CE-CD 3.8Å; M15-K20 PolarHBondContact O-N 2.79Å; M15-K20 HydrophobicContact SD-CB 4.4Å; M15-K20 HydrophobicContact SD-CD 3.26Å; M15-K20 WeakPolarHBondContact SD-CD 3.43Å; M15-K20 HydrophobicContact SD-CG 4.46Å; M18-K20 PolarHBondContact O-N 3.43Å; M18-K20 VanDerWaalsContact O-N 3.07Å; K20-M22 PolarHBondContact O-N 3.47Å
21W54.9Low66.5Low243 Ų243109.4 Ų109.492%0.9255%0.548SS*.  trans-28118.9172.1-63.884.4000111.3G19G19-W21 VanDerWaalsContact C-N 3.33Å; G19-W21 PolarHBondContact O-N 3.17Å
22M60.8Low68.1Low67 Ų67108.8 Ų108.833%0.3354%0.543SS..  trans-7.9125.8159.3-171.9170.852.900113K20 E26 E27 Q30K20-M22 PolarHBondContact O-N 3.47Å; M22-E26 HydrophobicContact CG-CB 3.21Å; M22-E26 HydrophobicContact CG-CG 4.41Å; M22-E26 VanDerWaalsContact SD-C 3.59Å; M22-E26 HydrophobicContact SD-CB 3.96Å; M22-E27 HydrophobicContact CE-CB 3.59Å; M22-E27 HydrophobicContact CE-CG 3.62Å; M22-E27 HydrophobicContact CG-CB 4.46Å; M22-Q30 HydrophobicContact CE-CB 4.08Å; M22-Q30 HydrophobicContact SD-CB 3.97Å; M22-Q30 PolarHBondContact SD-OE1 2.93Å
23T77.8Confident69.6Low71 Ų71109.9 Ų109.944%0.43655%0.545SS..  trans-54.5150.5-178.1610000110.4E25 E26 E27T23-E25 PolarHBondContact O-N 3.37Å; T23-E26 PolarHBondContact N-OE2 3.02Å; T23-E26 CarbonylContact O-C 3.6Å; T23-E26 PolarHBondContact O-N 3.26Å; T23-E26 WeakPolarHBondContact OG1-CB 3.49Å; T23-E26 WeakPolarHBondContact OG1-CG 3.39Å; T23-E26 PolarHBondContact OG1-N 3.19Å; T23-E26 PolarHBondContact OG1-OE2 3.48Å; T23-E27 PolarHBondContact O-N 3.46Å
24P75.7Confident71.1Confident110 Ų110107.7 Ų107.771%0.71454%0.536SS*.Hα-helixtrans-53.9-28.1-179.1-28.535.4000113.8A28P24-A28 WeakPolarHBondContact O-CB 3.31Å; P24-A28 PolarHBondContact O-N 3.46Å
25E72.4Confident72.9Confident121 Ų121108.9 Ų108.957%0.56554%0.537SS*.Hα-helixtrans-73.1-44.9175-167-177.7158.900112.4T23 E27 A28 R29T23-E25 PolarHBondContact O-N 3.37Å; E25-E27 VanDerWaalsContact C-N 3.29Å; E25-E27 PolarHBondContact O-N 2.88Å; E25-A28 PolarHBondContact O-N 3.46Å; E25-R29 VanDerWaalsContact O-CG 3.3Å; E25-R29 WeakPolarHBondContact O-CG 3.45Å; E25-R29 PolarHBondContact O-N 3.09Å; E25-R29 IonicContact OE1-CZ 3.64Å; E25-R29 IonicContact OE1-NE 3.83Å; E25-R29 PolarHBondContact OE1-NE 2.96Å; E25-R29 IonicContact OE1-NH2 3.71Å; E25-R29 PolarHBondContact OE1-NH2 3.33Å
26E76.1Confident74.7Confident100 Ų100109.5 Ų109.547%0.46754%0.539SS..Hα-helixtrans-64.9-35.4173.5-69.9165.2152.900111.3M22 T23 R29 Q30M22-E26 HydrophobicContact CG-CB 3.21Å; M22-E26 HydrophobicContact CG-CG 4.41Å; M22-E26 VanDerWaalsContact SD-C 3.59Å; M22-E26 HydrophobicContact SD-CB 3.96Å; T23-E26 PolarHBondContact N-OE2 3.02Å; T23-E26 CarbonylContact O-C 3.6Å; T23-E26 PolarHBondContact O-N 3.26Å; T23-E26 WeakPolarHBondContact OG1-CB 3.49Å; T23-E26 WeakPolarHBondContact OG1-CG 3.39Å; T23-E26 PolarHBondContact OG1-N 3.19Å; T23-E26 PolarHBondContact OG1-OE2 3.48Å; E26-R29 PolarHBondContact O-N 3.37Å; E26-Q30 WeakPolarHBondContact O-CB 3.22Å; E26-Q30 PolarHBondContact O-N 3.43Å
27E77.8Confident76.3Confident78 Ų78111.8 Ų111.836%0.36453%0.531SS..Hα-helixtrans-66-40.8174.3-164.7-170170.600112M22 T23 E25 Q30 K31M22-E27 HydrophobicContact CE-CB 3.59Å; M22-E27 HydrophobicContact CE-CG 3.62Å; M22-E27 HydrophobicContact CG-CB 4.46Å; T23-E27 PolarHBondContact O-N 3.46Å; E25-E27 VanDerWaalsContact C-N 3.29Å; E25-E27 PolarHBondContact O-N 2.88Å; E27-Q30 PolarHBondContact O-N 3.44Å; E27-K31 VanDerWaalsContact CD-NZ 3.33Å; E27-K31 HydrophobicContact CG-CD 4.15Å; E27-K31 VanDerWaalsContact O-CB 3.27Å; E27-K31 WeakPolarHBondContact O-CB 3.33Å; E27-K31 VanDerWaalsContact O-CG 3.26Å; E27-K31 WeakPolarHBondContact O-CG 3.31Å; E27-K31 PolarHBondContact O-N 3.33Å; E27-K31 WeakPolarHBondContact OE1-CE 3.46Å; E27-K31 IonicContact OE1-NZ 3.69Å; E27-K31 PolarHBondContact OE1-NZ 2.92Å; E27-K31 IonicContact OE2-NZ 3.02Å
28A84.8Confident78.1Confident59 Ų59106.8 Ų106.849%0.48851%0.513SS..Hα-helixtrans-62.7-42.5173.300000111.6P24 E25 F32P24-A28 WeakPolarHBondContact O-CB 3.31Å; P24-A28 PolarHBondContact O-N 3.46Å; E25-A28 PolarHBondContact O-N 3.46Å; A28-F32 WeakPolarHBondContact O-CB 3.48Å; A28-F32 PolarHBondContact O-N 3.26Å
29R84.4Confident80.2Confident154 Ų154107.4 Ų107.458%0.58151%0.508SS*.Hα-helixtrans-63.5-45175.8-70.7170.5-174.6-100.53.3111.5E25 E26 F32 I33E25-R29 VanDerWaalsContact O-CG 3.3Å; E25-R29 WeakPolarHBondContact O-CG 3.45Å; E25-R29 PolarHBondContact O-N 3.09Å; E25-R29 IonicContact OE1-CZ 3.64Å; E25-R29 IonicContact OE1-NE 3.83Å; E25-R29 PolarHBondContact OE1-NE 2.96Å; E25-R29 IonicContact OE1-NH2 3.71Å; E25-R29 PolarHBondContact OE1-NH2 3.33Å; E26-R29 PolarHBondContact O-N 3.37Å; R29-F32 WeakPolarHBondContact O-CB 3.36Å; R29-F32 PolarHBondContact O-N 3.09Å; R29-I33 WeakPolarHBondContact O-CG1 3.3Å; R29-I33 PolarHBondContact O-N 2.89Å
30Q85.5Confident81.8Confident101 Ų101109 Ų10947%0.47250%0.501SS..Hα-helixtrans-66.3-43178.2-165.4-178.936.200111.8M22 E26 E27 F32 I33 M34M22-Q30 HydrophobicContact CE-CB 4.08Å; M22-Q30 HydrophobicContact SD-CB 3.97Å; M22-Q30 PolarHBondContact SD-OE1 2.93Å; E26-Q30 WeakPolarHBondContact O-CB 3.22Å; E26-Q30 PolarHBondContact O-N 3.43Å; E27-Q30 PolarHBondContact O-N 3.44Å; Q30-F32 VanDerWaalsContact C-N 3.27Å; Q30-F32 PolarHBondContact O-N 2.96Å; Q30-I33 PolarHBondContact O-N 3.35Å; Q30-M34 WeakPolarHBondContact O-CB 3.46Å; Q30-M34 WeakPolarHBondContact O-CG 3.46Å; Q30-M34 PolarHBondContact O-N 3.49Å
31K88.8Confident83.4Confident108 Ų108107.7 Ų107.747%0.4749%0.493SS..Hα-helixtrans-60.4-37.6173.7-78.4170.1170.6166.60111.9E27 R35E27-K31 VanDerWaalsContact CD-NZ 3.33Å; E27-K31 HydrophobicContact CG-CD 4.15Å; E27-K31 VanDerWaalsContact O-CB 3.27Å; E27-K31 WeakPolarHBondContact O-CB 3.33Å; E27-K31 VanDerWaalsContact O-CG 3.26Å; E27-K31 WeakPolarHBondContact O-CG 3.31Å; E27-K31 PolarHBondContact O-N 3.33Å; E27-K31 WeakPolarHBondContact OE1-CE 3.46Å; E27-K31 IonicContact OE1-NZ 3.69Å; E27-K31 PolarHBondContact OE1-NZ 2.92Å; E27-K31 IonicContact OE2-NZ 3.02Å; K31-R35 VanDerWaalsContact O-CB 3.22Å; K31-R35 WeakPolarHBondContact O-CB 3.42Å; K31-R35 PolarHBondContact O-N 3.46Å
32F90.9Very high85.1Confident115 Ų115102.1 Ų102.150%0.50448%0.475SS..Hα-helixtrans-64.2-50174.7-179.3-93.9000111.4A28 R29 Q30 M34 R35 E36A28-F32 WeakPolarHBondContact O-CB 3.48Å; A28-F32 PolarHBondContact O-N 3.26Å; R29-F32 WeakPolarHBondContact O-CB 3.36Å; R29-F32 PolarHBondContact O-N 3.09Å; Q30-F32 VanDerWaalsContact C-N 3.27Å; Q30-F32 PolarHBondContact O-N 2.96Å; F32-M34 VanDerWaalsContact C-N 3.34Å; F32-M34 PolarHBondContact O-N 3.41Å; F32-R35 WeakPolarHBondContact O-CB 3.46Å; F32-R35 PolarHBondContact O-N 3.33Å; F32-R35 VanDerWaalsContact O-N 3.1Å; F32-E36 HydrophobicContact CD1-CG 4.19Å; F32-E36 HydrophobicContact CE1-CG 3.73Å; F32-E36 HydrophobicContact CE2-CG 4.46Å; F32-E36 HydrophobicContact CZ-CG 3.89Å; F32-E36 PolarHBondContact O-N 3.43Å
33I89.8Confident86.4Confident113 Ų113106.2 Ų106.258%0.57949%0.487SS*.Hα-helixtrans-59.6-44.7177.7-67.4165.2000111.2R29 Q30 R35 E36 R37R29-I33 WeakPolarHBondContact O-CG1 3.3Å; R29-I33 PolarHBondContact O-N 2.89Å; Q30-I33 PolarHBondContact O-N 3.35Å; I33-R35 VanDerWaalsContact C-N 3.31Å; I33-R35 PolarHBondContact O-N 3.11Å; I33-E36 PolarHBondContact O-N 3.06Å; I33-R37 WeakPolarHBondContact O-CB 3.35Å; I33-R37 PolarHBondContact O-N 3.14Å
34M89.1Confident86.9Confident88 Ų88107.5 Ų107.543%0.43349%0.49SS..Hα-helixtrans-60.1-42.3175.4-76.6-175.160.600112Q30 F32 R37 D38Q30-M34 WeakPolarHBondContact O-CB 3.46Å; Q30-M34 WeakPolarHBondContact O-CG 3.46Å; Q30-M34 PolarHBondContact O-N 3.49Å; F32-M34 VanDerWaalsContact C-N 3.34Å; F32-M34 PolarHBondContact O-N 3.41Å; M34-R37 PolarHBondContact O-N 3.31Å; M34-D38 PolarHBondContact O-N 2.96Å
35R92.6Very high87.4Confident141 Ų141106.9 Ų106.953%0.53248%0.476SS..Hα-helixtrans-66-41.1178.9-172-178.4-64.8162.1-1.4111.9K31 F32 I33 D38 R39K31-R35 VanDerWaalsContact O-CB 3.22Å; K31-R35 WeakPolarHBondContact O-CB 3.42Å; K31-R35 PolarHBondContact O-N 3.46Å; F32-R35 WeakPolarHBondContact O-CB 3.46Å; F32-R35 PolarHBondContact O-N 3.33Å; F32-R35 VanDerWaalsContact O-N 3.1Å; I33-R35 VanDerWaalsContact C-N 3.31Å; I33-R35 PolarHBondContact O-N 3.11Å; R35-D38 PolarHBondContact O-N 2.92Å; R35-R39 WeakPolarHBondContact O-CG 3.31Å; R35-R39 PolarHBondContact O-N 3.36Å
36E90.8Very high87.9Confident73 Ų73109.4 Ų109.434%0.34148%0.48SS..Hα-helixtrans-63.5-46.1174.6-72.3-49.5102.100111.2F32 I33 D38 R39 E40F32-E36 HydrophobicContact CD1-CG 4.19Å; F32-E36 HydrophobicContact CE1-CG 3.73Å; F32-E36 HydrophobicContact CE2-CG 4.46Å; F32-E36 HydrophobicContact CZ-CG 3.89Å; F32-E36 PolarHBondContact O-N 3.43Å; I33-E36 PolarHBondContact O-N 3.06Å; E36-D38 VanDerWaalsContact C-N 3.27Å; E36-D38 PolarHBondContact O-N 3.03Å; E36-R39 WeakPolarHBondContact O-CB 3.41Å; E36-R39 PolarHBondContact O-N 3.2Å; E36-R39 VanDerWaalsContact O-N 3.15Å; E36-R39 IonicContact OE1-CZ 2.69Å; E36-R39 IonicContact OE1-NE 2.6Å; E36-R39 IonicContact OE1-NH1 2.71Å; E36-R39 PolarHBondContact OE1-NH1 3.49Å; E36-R39 IonicContact OE1-NH2 3.75Å; E36-R39 IonicContact OE2-NH1 3.93Å; E36-E40 PolarHBondContact O-N 3.17Å
37R92.3Very high88.2Confident124 Ų124111 Ų11147%0.46849%0.489SS..Hα-helixtrans-59-37.9175.5-170.9-178.362143.41112.3I33 M34 R41I33-R37 WeakPolarHBondContact O-CB 3.35Å; I33-R37 PolarHBondContact O-N 3.14Å; M34-R37 PolarHBondContact O-N 3.31Å; R37-R41 VanDerWaalsContact CZ-NH1 3.34Å; R37-R41 WeakPolarHBondContact O-CB 3.31Å; R37-R41 WeakPolarHBondContact O-CG 3.29Å; R37-R41 PolarHBondContact O-N 3.06Å
38D93.1Very high88.7Confident67 Ų67110.4 Ų110.436%0.35849%0.488SS..Hα-helixtrans-71.7-36.9176.1-77.2-16.1000113.4M34 R35 E36 E40 R41 K42M34-D38 PolarHBondContact O-N 2.96Å; R35-D38 PolarHBondContact O-N 2.92Å; E36-D38 VanDerWaalsContact C-N 3.27Å; E36-D38 PolarHBondContact O-N 3.03Å; D38-E40 VanDerWaalsContact C-N 3.33Å; D38-R41 IonicContact OD1-CZ 3.09Å; D38-R41 IonicContact OD1-NE 2.64Å; D38-R41 PolarHBondContact OD1-NE 2.89Å; D38-R41 IonicContact OD1-NH2 3.27Å; D38-R41 PolarHBondContact OD1-NH2 2.85Å; D38-K42 WeakPolarHBondContact O-CB 3.39Å; D38-K42 WeakPolarHBondContact O-CG 3.3Å; D38-K42 PolarHBondContact O-N 3.33Å
39R94.2Very high88.7Confident133 Ų133111.9 Ų111.950%0.50249%0.493SS..Hα-helixtrans-62.2-44.3172-72.2175.7-167.1165.713110.6R35 E36 K42 R43R35-R39 WeakPolarHBondContact O-CG 3.31Å; R35-R39 PolarHBondContact O-N 3.36Å; E36-R39 WeakPolarHBondContact O-CB 3.41Å; E36-R39 PolarHBondContact O-N 3.2Å; E36-R39 VanDerWaalsContact O-N 3.15Å; E36-R39 IonicContact OE1-CZ 2.69Å; E36-R39 IonicContact OE1-NE 2.6Å; E36-R39 IonicContact OE1-NH1 2.71Å; E36-R39 PolarHBondContact OE1-NH1 3.49Å; E36-R39 IonicContact OE1-NH2 3.75Å; E36-R39 IonicContact OE2-NH1 3.93Å; R39-K42 WeakPolarHBondContact O-CB 3.42Å; R39-K42 PolarHBondContact O-N 3.49Å; R39-R43 PolarHBondContact O-N 2.65Å
40E90Very high88.7Confident88 Ų88111.8 Ų111.841%0.41150%0.499SS..Hα-helixtrans-67.4-42.8179.7-167.551.1-139.500111.6E36 D38 K42 R43 I44E36-E40 PolarHBondContact O-N 3.17Å; D38-E40 VanDerWaalsContact C-N 3.33Å; E40-K42 VanDerWaalsContact C-N 3.29Å; E40-K42 PolarHBondContact O-N 3.28Å; E40-R43 WeakPolarHBondContact O-CA 3.46Å; E40-R43 WeakPolarHBondContact O-CB 3.32Å; E40-R43 PolarHBondContact O-N 3.32Å; E40-R43 IonicContact OE2-NE 3.34Å; E40-R43 PolarHBondContact OE2-NE 3.46Å; E40-I44 HydrophobicContact CG-CD1 4.12Å; E40-I44 WeakPolarHBondContact O-CG1 3.5Å; E40-I44 PolarHBondContact O-N 3.02Å
41R89.6Confident88.7Confident108 Ų108108.7 Ų108.741%0.40848%0.483SS..Hα-helixtrans-56.5-41.7170.6-81.7-170.1-80-123.411.1112.9R37 D38 K45R37-R41 VanDerWaalsContact CZ-NH1 3.34Å; R37-R41 WeakPolarHBondContact O-CB 3.31Å; R37-R41 WeakPolarHBondContact O-CG 3.29Å; R37-R41 PolarHBondContact O-N 3.06Å; D38-R41 IonicContact OD1-CZ 3.09Å; D38-R41 IonicContact OD1-NE 2.64Å; D38-R41 PolarHBondContact OD1-NE 2.89Å; D38-R41 IonicContact OD1-NH2 3.27Å; D38-R41 PolarHBondContact OD1-NH2 2.85Å; R41-K45 WeakPolarHBondContact O-CB 3.16Å; R41-K45 PolarHBondContact O-N 3.41Å
42K89.8Confident88.5Confident126 Ų126109.2 Ų109.255%0.54848%0.483SS..Hα-helixtrans-66.4-37.6175.1-75176.6-176.4178.20111.8D38 R39 E40 R46D38-K42 WeakPolarHBondContact O-CB 3.39Å; D38-K42 WeakPolarHBondContact O-CG 3.3Å; D38-K42 PolarHBondContact O-N 3.33Å; R39-K42 WeakPolarHBondContact O-CB 3.42Å; R39-K42 PolarHBondContact O-N 3.49Å; E40-K42 VanDerWaalsContact C-N 3.29Å; E40-K42 PolarHBondContact O-N 3.28Å; K42-R46 VanDerWaalsContact O-CB 3.32Å; K42-R46 WeakPolarHBondContact O-CB 3.46Å; K42-R46 WeakPolarHBondContact O-CG 3.47Å; K42-R46 PolarHBondContact O-N 2.94Å
43R89Confident88.2Confident153 Ų153108.3 Ų108.358%0.57748%0.48SS*.Hα-helixtrans-62.6-52.2175.6-173.3-170.8-69.5-96.32.3110.6R39 E40 K45 R46 M47R39-R43 PolarHBondContact O-N 2.65Å; E40-R43 WeakPolarHBondContact O-CA 3.46Å; E40-R43 WeakPolarHBondContact O-CB 3.32Å; E40-R43 PolarHBondContact O-N 3.32Å; E40-R43 IonicContact OE2-NE 3.34Å; E40-R43 PolarHBondContact OE2-NE 3.46Å; R43-K45 PolarHBondContact O-N 3.15Å; R43-R46 PolarHBondContact O-N 3.31Å; R43-R46 VanDerWaalsContact O-N 3.14Å; R43-M47 WeakPolarHBondContact O-CG 3.43Å; R43-M47 PolarHBondContact O-N 2.92Å
44I88.2Confident88.2Confident98 Ų98108.4 Ų108.450%0.50348%0.479SS..Hα-helixtrans-57.9-48.7177.5-65.3167000110.6E40 R46 M47 N48E40-I44 HydrophobicContact CG-CD1 4.12Å; E40-I44 WeakPolarHBondContact O-CG1 3.5Å; E40-I44 PolarHBondContact O-N 3.02Å; I44-R46 VanDerWaalsContact C-N 3.29Å; I44-R46 PolarHBondContact O-N 3.21Å; I44-M47 PolarHBondContact O-N 3.39Å; I44-M47 VanDerWaalsContact O-N 3.09Å; I44-N48 PolarHBondContact O-N 2.91Å
45K86.8Confident88Confident97 Ų97107.4 Ų107.442%0.42247%0.474SS..Hα-helixtrans-59-38.4177.4-179.3178.3-106.7-153.50112.6R41 R43 Y51R41-K45 WeakPolarHBondContact O-CB 3.16Å; R41-K45 PolarHBondContact O-N 3.41Å; R43-K45 PolarHBondContact O-N 3.15Å; K45-Y51 HydrophobicContact CB-CD1 4.47Å; K45-Y51 HydrophobicContact CD-CD1 3.91Å; K45-Y51 HydrophobicContact CD-CD2 4.34Å; K45-Y51 HydrophobicContact CD-CE1 3.35Å; K45-Y51 HydrophobicContact CD-CE2 3.83Å; K45-Y51 HydrophobicContact CD-CG 4.39Å; K45-Y51 WeakPolarHBondContact CE-OH 3.19Å; K45-Y51 HydrophobicContact CG-CD1 3.19Å; K45-Y51 HydrophobicContact CG-CD2 4.03Å; K45-Y51 HydrophobicContact CG-CE1 3.19Å; K45-Y51 HydrophobicContact CG-CE2 4.02Å; K45-Y51 HydrophobicContact CG-CG 3.66Å; K45-Y51 VanDerWaalsContact NZ-CE2 3.27Å; K45-Y51 PolarHBondContact NZ-OH 3.47Å; K45-Y51 WeakPolarHBondContact O-CD1 3.45Å
46R82.8Confident87.7Confident174 Ų174106.1 Ų106.166%0.65747%0.469SS*.Hα-helixtrans-74-29175.8-75.2171.7-173.3176.70.6112.9K42 R43 I44 R52K42-R46 VanDerWaalsContact O-CB 3.32Å; K42-R46 WeakPolarHBondContact O-CB 3.46Å; K42-R46 WeakPolarHBondContact O-CG 3.47Å; K42-R46 PolarHBondContact O-N 2.94Å; R43-R46 PolarHBondContact O-N 3.31Å; R43-R46 VanDerWaalsContact O-N 3.14Å; I44-R46 VanDerWaalsContact C-N 3.29Å; I44-R46 PolarHBondContact O-N 3.21Å; R46-R52 WeakPolarHBondContact O-CD 3.43Å; R46-R52 PolarHBondContact O-NE 3.17Å; R46-R52 PolarHBondContact O-NH1 3.39Å; R46-R52 PolarHBondContact O-NH2 3.37Å
47M82.2Confident87.6Confident132 Ų132108.9 Ų108.965%0.6548%0.482SS*.Hα-helixtrans-76.7-33.5176.9-65.1-137.8-59.800111.6R43 I44 P49 R52R43-M47 WeakPolarHBondContact O-CG 3.43Å; R43-M47 PolarHBondContact O-N 2.92Å; I44-M47 PolarHBondContact O-N 3.39Å; I44-M47 VanDerWaalsContact O-N 3.09Å; M47-P49 WeakPolarHBondContact O-CD 3.32Å; M47-R52 PolarHBondContact O-NH2 3.31Å
48N88.1Confident87.2Confident66 Ų66108 Ų10835%0.35348%0.478SS..  trans-61.2118.1179.3-174.7-38.7000111.8I44 E50 Y51 R52I44-N48 PolarHBondContact O-N 2.91Å; N48-E50 WeakPolarHBondContact OD1-CA 3.37Å; N48-E50 WeakPolarHBondContact OD1-CB 3.28Å; N48-E50 PolarHBondContact OD1-N 2.96Å; N48-Y51 PolarHBondContact OD1-N 3.1Å; N48-R52 PolarHBondContact O-N 3.22Å
49P84.5Confident86.8Confident90 Ų90108.2 Ų108.258%0.58448%0.479SS*.Hα-helixtrans-71.8-35.4-178.628-33.2000113.2M47 R52 Q53M47-P49 WeakPolarHBondContact O-CD 3.32Å; P49-R52 PolarHBondContact O-N 2.97Å; P49-Q53 WeakPolarHBondContact O-CG 3.47Å; P49-Q53 PolarHBondContact O-N 3.2Å
50E85.9Confident86.5Confident153 Ų153108.7 Ų108.772%0.71548%0.481SS*.Hα-helixtrans-66.2-44.2178.2-64-177.5164.100111.3N48 R52 Q53 M54N48-E50 WeakPolarHBondContact OD1-CA 3.37Å; N48-E50 WeakPolarHBondContact OD1-CB 3.28Å; N48-E50 PolarHBondContact OD1-N 2.96Å; E50-R52 VanDerWaalsContact C-N 3.28Å; E50-R52 PolarHBondContact O-N 3.02Å; E50-Q53 PolarHBondContact O-N 3.36Å; E50-Q53 VanDerWaalsContact O-N 3.11Å; E50-M54 PolarHBondContact O-N 3.5Å
51Y84.9Confident86.1Confident35 Ų35111.1 Ų111.114%0.13749%0.491CS..Hα-helixtrans-61.3-39175.4180-88.4000111.6K45 N48 Q53 M54 E55K45-Y51 HydrophobicContact CB-CD1 4.47Å; K45-Y51 HydrophobicContact CD-CD1 3.91Å; K45-Y51 HydrophobicContact CD-CD2 4.34Å; K45-Y51 HydrophobicContact CD-CE1 3.35Å; K45-Y51 HydrophobicContact CD-CE2 3.83Å; K45-Y51 HydrophobicContact CD-CG 4.39Å; K45-Y51 WeakPolarHBondContact CE-OH 3.19Å; K45-Y51 HydrophobicContact CG-CD1 3.19Å; K45-Y51 HydrophobicContact CG-CD2 4.03Å; K45-Y51 HydrophobicContact CG-CE1 3.19Å; K45-Y51 HydrophobicContact CG-CE2 4.02Å; K45-Y51 HydrophobicContact CG-CG 3.66Å; K45-Y51 VanDerWaalsContact NZ-CE2 3.27Å; K45-Y51 PolarHBondContact NZ-OH 3.47Å; K45-Y51 WeakPolarHBondContact O-CD1 3.45Å; N48-Y51 PolarHBondContact OD1-N 3.1Å; Y51-Q53 VanDerWaalsContact C-N 3.32Å; Y51-Q53 PolarHBondContact O-N 3.49Å; Y51-M54 PolarHBondContact O-N 3.45Å; Y51-E55 HydrophobicContact CE1-CB 4.05Å; Y51-E55 HydrophobicContact CE1-CG 4.47Å; Y51-E55 WeakPolarHBondContact CE1-OE1 3.47Å; Y51-E55 VanDerWaalsContact O-CB 3.31Å; Y51-E55 WeakPolarHBondContact O-CB 3.31Å; Y51-E55 PolarHBondContact O-N 3.26Å; Y51-E55 PolarHBondContact OH-OE1 3.08Å
52R83.8Confident85.6Confident120 Ų120113.4 Ų113.445%0.45350%0.499SS..Hα-helixtrans-65.3-32.9175.5-81.2-167.9-89.9-161.4-10.6113R46 M47 N48 P49 E50 R56R46-R52 WeakPolarHBondContact O-CD 3.43Å; R46-R52 PolarHBondContact O-NE 3.17Å; R46-R52 PolarHBondContact O-NH1 3.39Å; R46-R52 PolarHBondContact O-NH2 3.37Å; M47-R52 PolarHBondContact O-NH2 3.31Å; N48-R52 PolarHBondContact O-N 3.22Å; P49-R52 PolarHBondContact O-N 2.97Å; E50-R52 VanDerWaalsContact C-N 3.28Å; E50-R52 PolarHBondContact O-N 3.02Å; R52-R56 WeakPolarHBondContact O-CB 3.34Å; R52-R56 WeakPolarHBondContact O-CG 3.43Å; R52-R56 PolarHBondContact O-N 3.41Å; R52-R56 PolarHBondContact O-NE 3.48Å
53Q85.2Confident85.1Confident95 Ų95115.7 Ų115.744%0.44451%0.509SS..Hα-helixtrans-70.2-49.7174.6-69.3-71.89.800110.5P49 E50 Y51 E55 R56 E57P49-Q53 WeakPolarHBondContact O-CG 3.47Å; P49-Q53 PolarHBondContact O-N 3.2Å; E50-Q53 PolarHBondContact O-N 3.36Å; E50-Q53 VanDerWaalsContact O-N 3.11Å; Y51-Q53 VanDerWaalsContact C-N 3.32Å; Y51-Q53 PolarHBondContact O-N 3.49Å; Q53-E55 VanDerWaalsContact C-N 3.31Å; Q53-E55 PolarHBondContact O-N 3.48Å; Q53-R56 VanDerWaalsContact CD-CZ 3.48Å; Q53-R56 VanDerWaalsContact NE2-NH2 3.15Å; Q53-R56 PolarHBondContact O-N 2.99Å; Q53-R56 VanDerWaalsContact O-N 3.16Å; Q53-R56 VanDerWaalsContact OE1-NH2 3.11Å; Q53-E57 WeakPolarHBondContact O-CB 3.49Å; Q53-E57 PolarHBondContact O-N 3.49Å
54M89.4Confident84.5Confident115 Ų115115.2 Ų115.257%0.56752%0.518SS*.Hα-helixtrans-57.6-42176.8-176-150.7-67.100112E50 Y51 E57 R58E50-M54 PolarHBondContact O-N 3.5Å; Y51-M54 PolarHBondContact O-N 3.45Å; M54-E57 PolarHBondContact O-N 2.92Å; M54-R58 WeakPolarHBondContact O-CB 3.49Å; M54-R58 PolarHBondContact O-N 2.96Å
55E84.6Confident83.5Confident68 Ų68113.9 Ų113.932%0.31851%0.514SS..Hα-helixtrans-65.5-41.6177.7-177162.9-102.800112.1Y51 Q53 E57 R58 D59Y51-E55 HydrophobicContact CE1-CB 4.05Å; Y51-E55 HydrophobicContact CE1-CG 4.47Å; Y51-E55 WeakPolarHBondContact CE1-OE1 3.47Å; Y51-E55 VanDerWaalsContact O-CB 3.31Å; Y51-E55 WeakPolarHBondContact O-CB 3.31Å; Y51-E55 PolarHBondContact O-N 3.26Å; Y51-E55 PolarHBondContact OH-OE1 3.08Å; Q53-E55 VanDerWaalsContact C-N 3.31Å; Q53-E55 PolarHBondContact O-N 3.48Å; E55-E57 VanDerWaalsContact C-N 3.33Å; E55-R58 PolarHBondContact O-N 3.19Å; E55-R58 IonicContact OE1-NH2 3.5Å; E55-R58 PolarHBondContact OE1-NH2 3.41Å; E55-D59 WeakPolarHBondContact O-CB 3.49Å; E55-D59 PolarHBondContact O-N 2.92Å
56R87.7Confident82.2Confident113 Ų113113.9 Ų113.943%0.42652%0.524SS..Hα-helixtrans-65.2-36.3174-79179.7-79.6142.1-8.5112.4R52 Q53 R60R52-R56 WeakPolarHBondContact O-CB 3.34Å; R52-R56 WeakPolarHBondContact O-CG 3.43Å; R52-R56 PolarHBondContact O-N 3.41Å; R52-R56 PolarHBondContact O-NE 3.48Å; Q53-R56 VanDerWaalsContact CD-CZ 3.48Å; Q53-R56 VanDerWaalsContact NE2-NH2 3.15Å; Q53-R56 PolarHBondContact O-N 2.99Å; Q53-R56 VanDerWaalsContact O-N 3.16Å; Q53-R56 VanDerWaalsContact OE1-NH2 3.11Å; R56-R60 WeakPolarHBondContact O-CB 3.45Å; R56-R60 WeakPolarHBondContact O-CG 3.33Å; R56-R60 PolarHBondContact O-N 3.36Å; R56-R60 PolarHBondContact O-NE 2.99Å
57E87.3Confident81.1Confident131 Ų131113.3 Ų113.361%0.61252%0.522SS*.Hα-helixtrans-69.5-42.6175.6-171.1170.7-159.300111.7Q53 M54 E55 D59 R60 F61Q53-E57 WeakPolarHBondContact O-CB 3.49Å; Q53-E57 PolarHBondContact O-N 3.49Å; M54-E57 PolarHBondContact O-N 2.92Å; E55-E57 VanDerWaalsContact C-N 3.33Å; E57-D59 VanDerWaalsContact C-N 3.31Å; E57-D59 PolarHBondContact O-N 3.33Å; E57-R60 CarbonylContact O-C 3.59Å; E57-R60 WeakPolarHBondContact O-CB 3.5Å; E57-R60 PolarHBondContact O-N 2.98Å; E57-F61 WeakPolarHBondContact O-CB 3.48Å; E57-F61 PolarHBondContact O-N 3.42Å
58R85.1Confident79.9Confident105 Ų105113.3 Ų113.340%0.39653%0.532SS..Hα-helixtrans-61.9-38.3172-171.9-173.468.3-162.6-7.1112.2M54 E55 F61 R62M54-R58 WeakPolarHBondContact O-CB 3.49Å; M54-R58 PolarHBondContact O-N 2.96Å; E55-R58 PolarHBondContact O-N 3.19Å; E55-R58 IonicContact OE1-NH2 3.5Å; E55-R58 PolarHBondContact OE1-NH2 3.41Å; R58-F61 WeakPolarHBondContact O-CB 3.34Å; R58-F61 PolarHBondContact O-N 2.99Å; R58-R62 WeakPolarHBondContact O-CG 3.47Å; R58-R62 PolarHBondContact O-N 3.2Å
59D84.4Confident78.5Confident72 Ų72115 Ų11539%0.38555%0.549SS..Hα-helixtrans-70.5-36.5175.8-77-6.4000111.7E55 E57 R62 K63E55-D59 WeakPolarHBondContact O-CB 3.49Å; E55-D59 PolarHBondContact O-N 2.92Å; E57-D59 VanDerWaalsContact C-N 3.31Å; E57-D59 PolarHBondContact O-N 3.33Å; D59-R62 PolarHBondContact O-N 3.01Å; D59-K63 VanDerWaalsContact O-CG 3.31Å; D59-K63 WeakPolarHBondContact O-CG 3.31Å; D59-K63 PolarHBondContact O-N 3.47Å
60R86.4Confident77.5Confident143 Ų143115 Ų11554%0.5454%0.543SS..Hα-helixtrans-61.2-45.3168.9-80.6-176.1-89.2-158.72.3111R56 E57 R62 K63 L64R56-R60 WeakPolarHBondContact O-CB 3.45Å; R56-R60 WeakPolarHBondContact O-CG 3.33Å; R56-R60 PolarHBondContact O-N 3.36Å; R56-R60 PolarHBondContact O-NE 2.99Å; E57-R60 CarbonylContact O-C 3.59Å; E57-R60 WeakPolarHBondContact O-CB 3.5Å; E57-R60 PolarHBondContact O-N 2.98Å; R60-R62 PolarHBondContact O-N 2.94Å; R60-K63 PolarHBondContact O-N 3.35Å; R60-K63 VanDerWaalsContact O-N 3.12Å; R60-L64 WeakPolarHBondContact O-CB 3.06Å; R60-L64 VanDerWaalsContact O-CG 3.29Å; R60-L64 WeakPolarHBondContact O-CG 3.21Å; R60-L64 PolarHBondContact O-N 3.47Å
61F83.4Confident76.9Confident140 Ų140111 Ų11161%0.61453%0.529SS*.Hα-helixtrans-59.5-46.2174.7-171.2-95.8000111.4E57 R58 K63 L64 T65E57-F61 WeakPolarHBondContact O-CB 3.48Å; E57-F61 PolarHBondContact O-N 3.42Å; R58-F61 WeakPolarHBondContact O-CB 3.34Å; R58-F61 PolarHBondContact O-N 2.99Å; F61-K63 PolarHBondContact O-N 2.93Å; F61-L64 PolarHBondContact O-N 3.01Å; F61-L64 VanDerWaalsContact O-N 3.16Å; F61-T65 WeakPolarHBondContact CE1-OG1 3.3Å; F61-T65 WeakPolarHBondContact O-CB 3.5Å; F61-T65 PolarHBondContact O-N 3.39Å; F61-T65 PolarHBondContact O-OG1 3.42Å
62R79.1Confident76.6Confident155 Ų155114.3 Ų114.359%0.58556%0.555SS**Hα-helixtrans-62.3-26.8175.2-75.1174.9178.5-125.9-2.4114.5R58 D59 R60 T65R58-R62 WeakPolarHBondContact O-CG 3.47Å; R58-R62 PolarHBondContact O-N 3.2Å; D59-R62 PolarHBondContact O-N 3.01Å; R60-R62 PolarHBondContact O-N 2.94Å; R62-T65 VanDerWaalsContact O-O 3.04Å
63K78.4Confident76Confident175 Ų175114.6 Ų114.676%0.76157%0.565SS**Hα-helixtrans-80.7-37.7174.6-73.5175.8-179.2-174.20111.8D59 R60 F61D59-K63 VanDerWaalsContact O-CG 3.31Å; D59-K63 WeakPolarHBondContact O-CG 3.31Å; D59-K63 PolarHBondContact O-N 3.47Å; R60-K63 PolarHBondContact O-N 3.35Å; R60-K63 VanDerWaalsContact O-N 3.12Å; F61-K63 PolarHBondContact O-N 2.93Å
64L76.3Confident75.7Confident143 Ų143114.5 Ų114.575%0.74957%0.565SS**Hα-helixtrans-79.5-24.7179.8-70.1172.3000112.9R60 F61 P66R60-L64 WeakPolarHBondContact O-CB 3.06Å; R60-L64 VanDerWaalsContact O-CG 3.29Å; R60-L64 WeakPolarHBondContact O-CG 3.21Å; R60-L64 PolarHBondContact O-N 3.47Å; F61-L64 PolarHBondContact O-N 3.01Å; F61-L64 VanDerWaalsContact O-N 3.16Å; L64-P66 VanDerWaalsContact C-CD 3.48Å; L64-P66 WeakPolarHBondContact O-CD 3.27Å
65T67.1Low75.3Confident69 Ų69114.8 Ų114.842%0.42357%0.565SS.*SBendtrans-105.587.4170.5-31.40000106.9F61 R62 R67F61-T65 WeakPolarHBondContact CE1-OG1 3.3Å; F61-T65 WeakPolarHBondContact O-CB 3.5Å; F61-T65 PolarHBondContact O-N 3.39Å; F61-T65 PolarHBondContact O-OG1 3.42Å; R62-T65 VanDerWaalsContact O-O 3.04Å; T65-R67 PolarHBondContact O-N 2.8Å
66P60.8Low75.4Confident97 Ų97116.5 Ų116.563%0.6358%0.576SS**  trans-46.4131.8164.4-20.729.1000107L64L64-P66 VanDerWaalsContact C-CD 3.48Å; L64-P66 WeakPolarHBondContact O-CD 3.27Å
67R59.5Low75.3Confident163 Ų163119.7 Ų119.762%0.61559%0.588SS**  trans-46.8140.1163.7-76-171.3172.5-139.3-1.5106.3T65 S69T65-R67 PolarHBondContact O-N 2.8Å; R67-S69 PolarHBondContact O-N 3.38Å
68P56.9Low75.3Confident132 Ų132117.6 Ų117.686%0.85758%0.581SS**  trans-53100.9169.920.9-29.6000105.9L70P68-L70 PolarHBondContact O-N 3.47Å; P68-L70 VanDerWaalsContact O-N 3.16Å
69S58.7Low75.6Confident102 Ų102119 Ų11971%0.71359%0.589SS**  trans-67.4118.6178.1470000102.4R67 T71R67-S69 PolarHBondContact O-N 3.38Å; S69-T71 PolarHBondContact O-N 2.87Å
70L62.7Low75.9Confident89 Ų89121.7 Ų121.747%0.46660%0.601SS.*  trans-40.3130.8161.9-77.7141.8000106.6P68 E74 L78P68-L70 PolarHBondContact O-N 3.47Å; P68-L70 VanDerWaalsContact O-N 3.16Å; L70-E74 HydrophobicContact CB-CB 4.07Å; L70-E74 HydrophobicContact CD2-CB 3.73Å; L70-L78 HydrophobicContact CD1-CD1 3.69Å; L70-L78 HydrophobicContact CD2-CD1 3.85Å; L70-L78 HydrophobicContact CG-CD1 4.38Å
71T74.1Confident76.1Confident69 Ų69118.2 Ų118.242%0.42359%0.593SS.*  trans-51.9147.7176.9550000108.4S69 D73 E74 E75S69-T71 PolarHBondContact O-N 2.87Å; T71-D73 PolarHBondContact O-N 3.2Å; T71-E74 PolarHBondContact N-OE2 3.12Å; T71-E74 WeakPolarHBondContact O-CA 3.46Å; T71-E74 PolarHBondContact O-N 3.06Å; T71-E74 VanDerWaalsContact OG1-CD 3.24Å; T71-E74 WeakPolarHBondContact OG1-CG 3.47Å; T71-E74 PolarHBondContact OG1-N 2.75Å; T71-E74 PolarHBondContact OG1-OE2 2.64Å; T71-E75 PolarHBondContact O-N 3.18Å
72P77.2Confident76.4Confident105 Ų105114.9 Ų114.968%0.68258%0.579SS**Hα-helixtrans-49.4-32.1-178.2-30.136000113.4L76P72-L76 WeakPolarHBondContact O-CB 3.33Å; P72-L76 PolarHBondContact O-N 3.22Å
73D72.5Confident77Confident125 Ų125114.9 Ų114.967%0.66858%0.579SS**Hα-helixtrans-70.1-40.4176.3-62.7-29.8000113.4T71 L76 R77T71-D73 PolarHBondContact O-N 3.2Å; D73-L76 PolarHBondContact O-N 2.96Å; D73-R77 WeakPolarHBondContact O-CB 3.33Å; D73-R77 PolarHBondContact O-N 3.42Å
74E77.6Confident77.6Confident94 Ų94113 Ų11344%0.43957%0.573SS.*Hα-helixtrans-69.1-37.1174.3-71.5170.714100111.8L70 T71 R77 L78L70-E74 HydrophobicContact CB-CB 4.07Å; L70-E74 HydrophobicContact CD2-CB 3.73Å; T71-E74 PolarHBondContact N-OE2 3.12Å; T71-E74 WeakPolarHBondContact O-CA 3.46Å; T71-E74 PolarHBondContact O-N 3.06Å; T71-E74 VanDerWaalsContact OG1-CD 3.24Å; T71-E74 WeakPolarHBondContact OG1-CG 3.47Å; T71-E74 PolarHBondContact OG1-N 2.75Å; T71-E74 PolarHBondContact OG1-OE2 2.64Å; E74-R77 PolarHBondContact O-N 3.16Å; E74-L78 WeakPolarHBondContact O-CB 3.4Å; E74-L78 VanDerWaalsContact O-CG 3.3Å; E74-L78 WeakPolarHBondContact O-CG 3.38Å; E74-L78 PolarHBondContact O-N 2.93Å
75E81.8Confident78.4Confident121 Ų121112.2 Ų112.257%0.56556%0.56SS**Hα-helixtrans-63.7-42.3174-167.9-179.6173.500111.1T71 L78 K79T71-E75 PolarHBondContact O-N 3.18Å; E75-L78 PolarHBondContact O-N 3.16Å; E75-K79 WeakPolarHBondContact O-CB 3.17Å; E75-K79 PolarHBondContact O-N 2.95Å
76L85.6Confident79.7Confident103 Ų103111.9 Ų111.954%0.53956%0.556SS.*Hα-helixtrans-62.8-45.2175.6-17862.4000111.9P72 D73 K79 M80P72-L76 WeakPolarHBondContact O-CB 3.33Å; P72-L76 PolarHBondContact O-N 3.22Å; D73-L76 PolarHBondContact O-N 2.96Å; L76-K79 WeakPolarHBondContact O-CB 3.32Å; L76-K79 PolarHBondContact O-N 3.43Å; L76-M80 PolarHBondContact O-N 2.87Å
77R85.9Confident81.4Confident180 Ų180115.2 Ų115.268%0.67956%0.556SS**Hα-helixtrans-60.4-45.8177-175179.7175.6-170.90111.6D73 E74 K79 M80 I81D73-R77 WeakPolarHBondContact O-CB 3.33Å; D73-R77 PolarHBondContact O-N 3.42Å; E74-R77 PolarHBondContact O-N 3.16Å; R77-K79 VanDerWaalsContact C-N 3.3Å; R77-K79 PolarHBondContact O-N 3.44Å; R77-M80 PolarHBondContact O-N 2.94Å; R77-I81 HydrophobicContact CG-CD1 4.13Å; R77-I81 WeakPolarHBondContact O-CG1 3.48Å; R77-I81 PolarHBondContact O-N 3.01Å
78L88.8Confident82.9Confident88 Ų88111.3 Ų111.346%0.46154%0.544SS..Hα-helixtrans-63.2-37.2175.9-72.5172000112.1L70 E74 E75 I81 Q82L70-L78 HydrophobicContact CD1-CD1 3.69Å; L70-L78 HydrophobicContact CD2-CD1 3.85Å; L70-L78 HydrophobicContact CG-CD1 4.38Å; E74-L78 WeakPolarHBondContact O-CB 3.4Å; E74-L78 VanDerWaalsContact O-CG 3.3Å; E74-L78 WeakPolarHBondContact O-CG 3.38Å; E74-L78 PolarHBondContact O-N 2.93Å; E75-L78 PolarHBondContact O-N 3.16Å; L78-I81 PolarHBondContact O-N 3.2Å; L78-Q82 VanDerWaalsContact O-CB 3.27Å; L78-Q82 WeakPolarHBondContact O-CB 3.37Å; L78-Q82 PolarHBondContact O-N 3.19Å
79K91.3Very high84.6Confident134 Ų134109.8 Ų109.858%0.58352%0.521SS*.Hα-helixtrans-67.7-36.6176.2-162.9172.4-173.7172.50112.1E75 L76 R77 R83E75-K79 WeakPolarHBondContact O-CB 3.17Å; E75-K79 PolarHBondContact O-N 2.95Å; L76-K79 WeakPolarHBondContact O-CB 3.32Å; L76-K79 PolarHBondContact O-N 3.43Å; R77-K79 VanDerWaalsContact C-N 3.3Å; R77-K79 PolarHBondContact O-N 3.44Å; K79-R83 VanDerWaalsContact O-CB 3.3Å; K79-R83 WeakPolarHBondContact O-CB 3.41Å; K79-R83 PolarHBondContact O-N 2.98Å
80M90.1Very high86.1Confident129 Ų129110.9 Ų110.964%0.63551%0.513SS*.Hα-helixtrans-63.9-49.1171.7-75.6-169.860.500111.6L76 R77 Q82 R83 E84L76-M80 PolarHBondContact O-N 2.87Å; R77-M80 PolarHBondContact O-N 2.94Å; M80-Q82 VanDerWaalsContact C-N 3.31Å; M80-Q82 PolarHBondContact O-N 2.9Å; M80-R83 PolarHBondContact O-N 2.93Å; M80-E84 PolarHBondContact O-N 3.46Å
81I90.4Very high87.4Confident70 Ų70113.9 Ų113.936%0.35952%0.519SS..Hα-helixtrans-59.9-42.4176.7-67.6166000110.7R77 L78 E84 R85R77-I81 HydrophobicContact CG-CD1 4.13Å; R77-I81 WeakPolarHBondContact O-CG1 3.48Å; R77-I81 PolarHBondContact O-N 3.01Å; L78-I81 PolarHBondContact O-N 3.2Å; I81-E84 PolarHBondContact O-N 2.82Å; I81-R85 WeakPolarHBondContact O-CG 3.33Å; I81-R85 PolarHBondContact O-N 3.07Å
82Q88.8Confident88.2Confident69 Ų69115.2 Ų115.232%0.32252%0.522SS..Hα-helixtrans-62.1-45.9176.7-17861.531.200111.7L78 M80 E84 R85 D86L78-Q82 VanDerWaalsContact O-CB 3.27Å; L78-Q82 WeakPolarHBondContact O-CB 3.37Å; L78-Q82 PolarHBondContact O-N 3.19Å; M80-Q82 VanDerWaalsContact C-N 3.31Å; M80-Q82 PolarHBondContact O-N 2.9Å; Q82-E84 VanDerWaalsContact C-N 3.31Å; Q82-E84 PolarHBondContact O-N 3.25Å; Q82-R85 PolarHBondContact O-N 2.98Å; Q82-D86 PolarHBondContact NE2-OD2 3.49Å; Q82-D86 WeakPolarHBondContact O-CB 3.49Å; Q82-D86 PolarHBondContact O-N 3.32Å
83R93.7Very high88.7Confident155 Ų155115 Ų11559%0.58551%0.51SS*.Hα-helixtrans-62.9-38.7178.4-178.9-179.5-83.1-175.5-5.9111.4K79 M80 D86 R87K79-R83 VanDerWaalsContact O-CB 3.3Å; K79-R83 WeakPolarHBondContact O-CB 3.41Å; K79-R83 PolarHBondContact O-N 2.98Å; M80-R83 PolarHBondContact O-N 2.93Å; R83-D86 PolarHBondContact O-N 3.24Å; R83-R87 VanDerWaalsContact O-CG 3.31Å; R83-R87 WeakPolarHBondContact O-CG 3.49Å; R83-R87 PolarHBondContact O-N 3.46Å
84E90.6Very high89.3Confident135 Ų135117 Ų11763%0.63151%0.509SS*.Hα-helixtrans-65-47.7174.5-172.8169.7-127.900111.6M80 I81 Q82 D86 R87 E88M80-E84 PolarHBondContact O-N 3.46Å; I81-E84 PolarHBondContact O-N 2.82Å; Q82-E84 VanDerWaalsContact C-N 3.31Å; Q82-E84 PolarHBondContact O-N 3.25Å; E84-D86 PolarHBondContact O-N 3.36Å; E84-R87 WeakPolarHBondContact O-CB 3.48Å; E84-R87 PolarHBondContact O-N 2.83Å; E84-R87 VanDerWaalsContact O-N 3.11Å; E84-E88 PolarHBondContact O-N 3.16Å
85R93.1Very high89.5Confident128 Ų128119.2 Ų119.248%0.48352%0.521SS..Hα-helixtrans-57.5-37.1172.8-71-167.2-61.2169.6-6.4112.6I81 Q82 R89I81-R85 WeakPolarHBondContact O-CG 3.33Å; I81-R85 PolarHBondContact O-N 3.07Å; Q82-R85 PolarHBondContact O-N 2.98Å; R85-R89 WeakPolarHBondContact O-CB 3.38Å; R85-R89 WeakPolarHBondContact O-CG 3.39Å; R85-R89 PolarHBondContact O-N 2.88Å
86D94.7Very high89.9Confident62 Ų62116.7 Ų116.733%0.33251%0.511SS..Hα-helixtrans-70.6-37.9176.5-81.5-40.9000113.2Q82 R83 E84 R89 K90Q82-D86 PolarHBondContact NE2-OD2 3.49Å; Q82-D86 WeakPolarHBondContact O-CB 3.49Å; Q82-D86 PolarHBondContact O-N 3.32Å; R83-D86 PolarHBondContact O-N 3.24Å; E84-D86 PolarHBondContact O-N 3.36Å; D86-R89 VanDerWaalsContact CG-NH2 3.27Å; D86-R89 IonicContact OD1-CZ 2.81Å; D86-R89 VanDerWaalsContact OD1-CZ 3.27Å; D86-R89 IonicContact OD1-NE 3.79Å; D86-R89 PolarHBondContact OD1-NE 3.43Å; D86-R89 VanDerWaalsContact OD1-NE 3.09Å; D86-R89 IonicContact OD1-NH2 2.75Å; D86-R89 PolarHBondContact OD1-NH2 3.11Å; D86-R89 IonicContact OD2-NH2 3.28Å; D86-K90 WeakPolarHBondContact O-CG 3.49Å; D86-K90 PolarHBondContact O-N 2.95Å
87R94.8Very high89.9Confident167 Ų167115.8 Ų115.863%0.6351%0.511SS*.Hα-helixtrans-63-45.2172.5-72.9170.4-179176.5-1.3110.4R83 E84 K90 R91R83-R87 VanDerWaalsContact O-CG 3.31Å; R83-R87 WeakPolarHBondContact O-CG 3.49Å; R83-R87 PolarHBondContact O-N 3.46Å; E84-R87 WeakPolarHBondContact O-CB 3.48Å; E84-R87 PolarHBondContact O-N 2.83Å; E84-R87 VanDerWaalsContact O-N 3.11Å; R87-K90 WeakPolarHBondContact O-CB 3.3Å; R87-K90 PolarHBondContact O-N 3.4Å; R87-K90 VanDerWaalsContact O-N 3.17Å; R87-R91 PolarHBondContact O-N 3.33Å
88E91.7Very high89.9Confident80 Ų80112 Ų11237%0.37450%0.501SS..Hα-helixtrans-66.1-42.9179.1-168.653.5-142.500111.5E84 K90 R91 I92E84-E88 PolarHBondContact O-N 3.16Å; E88-K90 VanDerWaalsContact C-N 3.27Å; E88-K90 PolarHBondContact O-N 2.84Å; E88-R91 WeakPolarHBondContact O-CB 3.47Å; E88-R91 PolarHBondContact O-N 2.87Å; E88-R91 IonicContact OE1-NH1 3.37Å; E88-I92 HydrophobicContact CG-CD1 4.01Å; E88-I92 HydrophobicContact CG-CG1 4.43Å; E88-I92 WeakPolarHBondContact O-CG1 3.31Å; E88-I92 PolarHBondContact O-N 3.35Å
89R91.7Very high89.8Confident100 Ų100111 Ų11138%0.37749%0.492SS..Hα-helixtrans-54.6-42.9170.9-82.4-170.8-76-93.64.2112.4R85 D86 K93R85-R89 WeakPolarHBondContact O-CB 3.38Å; R85-R89 WeakPolarHBondContact O-CG 3.39Å; R85-R89 PolarHBondContact O-N 2.88Å; D86-R89 VanDerWaalsContact CG-NH2 3.27Å; D86-R89 IonicContact OD1-CZ 2.81Å; D86-R89 VanDerWaalsContact OD1-CZ 3.27Å; D86-R89 IonicContact OD1-NE 3.79Å; D86-R89 PolarHBondContact OD1-NE 3.43Å; D86-R89 VanDerWaalsContact OD1-NE 3.09Å; D86-R89 IonicContact OD1-NH2 2.75Å; D86-R89 PolarHBondContact OD1-NH2 3.11Å; D86-R89 IonicContact OD2-NH2 3.28Å; R89-K93 WeakPolarHBondContact O-CB 3.39Å; R89-K93 VanDerWaalsContact O-CG 3.28Å; R89-K93 WeakPolarHBondContact O-CG 3.35Å; R89-K93 PolarHBondContact O-N 2.78Å
90K91.4Very high89.5Confident126 Ų126111 Ų11155%0.54849%0.488SS..Hα-helixtrans-68.2-38.6176.7-74.2175.5-178179.40111.7D86 R87 E88 K93 R94D86-K90 WeakPolarHBondContact O-CG 3.49Å; D86-K90 PolarHBondContact O-N 2.95Å; R87-K90 WeakPolarHBondContact O-CB 3.3Å; R87-K90 PolarHBondContact O-N 3.4Å; R87-K90 VanDerWaalsContact O-N 3.17Å; E88-K90 VanDerWaalsContact C-N 3.27Å; E88-K90 PolarHBondContact O-N 2.84Å; K90-K93 PolarHBondContact O-N 3.38Å; K90-R94 WeakPolarHBondContact O-CB 3.28Å; K90-R94 WeakPolarHBondContact O-CG 3.46Å; K90-R94 PolarHBondContact O-N 3.43Å
91R90.3Very high89.4Confident152 Ų152112.4 Ų112.457%0.57449%0.486SS*.Hα-helixtrans-62.2-50.8176.1-172.8174.7179.1-96.7-0.8110.8R87 E88 K93 R94 M95R87-R91 PolarHBondContact O-N 3.33Å; E88-R91 WeakPolarHBondContact O-CB 3.47Å; E88-R91 PolarHBondContact O-N 2.87Å; E88-R91 IonicContact OE1-NH1 3.37Å; R91-K93 VanDerWaalsContact C-N 3.35Å; R91-K93 PolarHBondContact O-N 3.4Å; R91-R94 PolarHBondContact O-N 3.07Å; R91-R94 VanDerWaalsContact O-N 3.11Å; R91-M95 HydrophobicContact CG-CG 4.5Å; R91-M95 WeakPolarHBondContact O-CB 3.39Å; R91-M95 WeakPolarHBondContact O-CG 3.28Å; R91-M95 PolarHBondContact O-N 3.33Å
92I89.3Confident89.4Confident97 Ų97113.6 Ų113.650%0.49749%0.493SS..Hα-helixtrans-56.7-47.5175.5-66.2168.1000110.7E88 R94 M95 N96E88-I92 HydrophobicContact CG-CD1 4.01Å; E88-I92 HydrophobicContact CG-CG1 4.43Å; E88-I92 WeakPolarHBondContact O-CG1 3.31Å; E88-I92 PolarHBondContact O-N 3.35Å; I92-R94 VanDerWaalsContact C-N 3.32Å; I92-R94 PolarHBondContact O-N 3.13Å; I92-M95 PolarHBondContact O-N 2.75Å; I92-N96 VanDerWaalsContact O-CB 3.28Å; I92-N96 WeakPolarHBondContact O-CB 3.27Å; I92-N96 PolarHBondContact O-N 3.21Å
93K88.6Confident89.4Confident99 Ų99113.2 Ų113.243%0.4349%0.491SS..Hα-helixtrans-60.3-37.5176.8-79-179.8177-167.90113.5R89 K90 R91 Y99R89-K93 WeakPolarHBondContact O-CB 3.39Å; R89-K93 VanDerWaalsContact O-CG 3.28Å; R89-K93 WeakPolarHBondContact O-CG 3.35Å; R89-K93 PolarHBondContact O-N 2.78Å; K90-K93 PolarHBondContact O-N 3.38Å; R91-K93 VanDerWaalsContact C-N 3.35Å; R91-K93 PolarHBondContact O-N 3.4Å; K93-Y99 HydrophobicContact CB-CD1 3.9Å; K93-Y99 HydrophobicContact CB-CE1 3.91Å; K93-Y99 HydrophobicContact CB-CG 4.46Å; K93-Y99 HydrophobicContact CD-CE1 4.07Å; K93-Y99 HydrophobicContact CD-CE2 4.18Å; K93-Y99 HydrophobicContact CG-CD1 4.19Å; K93-Y99 HydrophobicContact CG-CD2 4.42Å; K93-Y99 HydrophobicContact CG-CE1 4.08Å; K93-Y99 HydrophobicContact CG-CE2 4.29Å; K93-Y99 HydrophobicContact CG-CG 4.38Å; K93-Y99 WeakPolarHBondContact O-CD1 3.34Å
94R85.6Confident89.2Confident169 Ų169110.3 Ų110.364%0.63848%0.484SS*.Hα-helixtrans-73.8-35.6179.3-73.2169.3-173.21760.4112.6K90 R91 I92 R100K90-R94 WeakPolarHBondContact O-CB 3.28Å; K90-R94 WeakPolarHBondContact O-CG 3.46Å; K90-R94 PolarHBondContact O-N 3.43Å; R91-R94 PolarHBondContact O-N 3.07Å; R91-R94 VanDerWaalsContact O-N 3.11Å; I92-R94 VanDerWaalsContact C-N 3.32Å; I92-R94 PolarHBondContact O-N 3.13Å; R94-R100 PolarHBondContact O-NH2 3.49Å
95M82.3Confident89.2Confident140 Ų140109 Ų10969%0.6948%0.478SS*.Hα-helixtrans-78-24.7178.3-69.8-59.1-62.200112.4R91 I92 P97R91-M95 HydrophobicContact CG-CG 4.5Å; R91-M95 WeakPolarHBondContact O-CB 3.39Å; R91-M95 WeakPolarHBondContact O-CG 3.28Å; R91-M95 PolarHBondContact O-N 3.33Å; I92-M95 PolarHBondContact O-N 2.75Å; M95-P97 VanDerWaalsContact O-CD 3.27Å; M95-P97 WeakPolarHBondContact O-CD 3.34Å
96N90.1Very high89.1Confident67 Ų67108.9 Ų108.936%0.35848%0.478SS..  trans-74.9114.7178.5-174.3-37.4000111I92 E98 Y99 R100I92-N96 VanDerWaalsContact O-CB 3.28Å; I92-N96 WeakPolarHBondContact O-CB 3.27Å; I92-N96 PolarHBondContact O-N 3.21Å; N96-E98 WeakPolarHBondContact OD1-CA 3.4Å; N96-E98 WeakPolarHBondContact OD1-CB 3.35Å; N96-E98 PolarHBondContact OD1-N 3.34Å; N96-Y99 PolarHBondContact OD1-N 3.42Å; N96-R100 PolarHBondContact O-N 2.86Å
97P84.1Confident88.9Confident85 Ų85109 Ų10955%0.55248%0.479SS*.Hα-helixtrans-69.9-34.6-178.628.1-33.8000113M95 R100 R101M95-P97 VanDerWaalsContact O-CD 3.27Å; M95-P97 WeakPolarHBondContact O-CD 3.34Å; P97-R100 PolarHBondContact O-N 3.24Å; P97-R101 WeakPolarHBondContact O-CG 3.43Å; P97-R101 PolarHBondContact O-N 2.86Å
98E86.4Confident88.7Confident101 Ų101109.4 Ų109.447%0.47248%0.48SS..Hα-helixtrans-67.8-42.4178.4-73.4-58.4123.600111.6N96 R100 R101 L102N96-E98 WeakPolarHBondContact OD1-CA 3.4Å; N96-E98 WeakPolarHBondContact OD1-CB 3.35Å; N96-E98 PolarHBondContact OD1-N 3.34Å; E98-R100 VanDerWaalsContact C-N 3.3Å; E98-R100 PolarHBondContact O-N 2.98Å; E98-R101 PolarHBondContact O-N 3.05Å; E98-R101 IonicContact OE1-CZ 3.48Å; E98-R101 IonicContact OE1-NH1 3.35Å; E98-R101 PolarHBondContact OE1-NH1 3.44Å; E98-L102 PolarHBondContact O-N 3.28Å
99Y86Confident88.6Confident67 Ų67109.8 Ų109.826%0.26348%0.484SS..Hα-helixtrans-61.7-40.1173.5-176.9-90.5000111.7K93 N96 L102 E103K93-Y99 HydrophobicContact CB-CD1 3.9Å; K93-Y99 HydrophobicContact CB-CE1 3.91Å; K93-Y99 HydrophobicContact CB-CG 4.46Å; K93-Y99 HydrophobicContact CD-CE1 4.07Å; K93-Y99 HydrophobicContact CD-CE2 4.18Å; K93-Y99 HydrophobicContact CG-CD1 4.19Å; K93-Y99 HydrophobicContact CG-CD2 4.42Å; K93-Y99 HydrophobicContact CG-CE1 4.08Å; K93-Y99 HydrophobicContact CG-CE2 4.29Å; K93-Y99 HydrophobicContact CG-CG 4.38Å; K93-Y99 WeakPolarHBondContact O-CD1 3.34Å; N96-Y99 PolarHBondContact OD1-N 3.42Å; Y99-L102 PolarHBondContact O-N 3.4Å; Y99-E103 WeakPolarHBondContact CE1-OE2 3.37Å; Y99-E103 WeakPolarHBondContact O-CB 3.34Å; Y99-E103 PolarHBondContact O-N 3.17Å; Y99-E103 PolarHBondContact OH-OE2 3.14Å
100R86.1Confident88.5Confident133 Ų133111.2 Ų111.250%0.50249%0.49SS..Hα-helixtrans-64.3-39176.9-175.3178.9-68-1153.3112.1R94 N96 P97 E98 Q104R94-R100 PolarHBondContact O-NH2 3.49Å; N96-R100 PolarHBondContact O-N 2.86Å; P97-R100 PolarHBondContact O-N 3.24Å; E98-R100 VanDerWaalsContact C-N 3.3Å; E98-R100 PolarHBondContact O-N 2.98Å; R100-Q104 VanDerWaalsContact O-CG 3.27Å; R100-Q104 WeakPolarHBondContact O-CG 3.33Å; R100-Q104 PolarHBondContact O-N 3.36Å
101R87.9Confident88.3Confident158 Ų158111 Ų11160%0.59649%0.489SS*.Hα-helixtrans-62.9-48.7174.7-75.6178.2174.7167.6-6.2111.5P97 E98 E103 Q104 E105P97-R101 WeakPolarHBondContact O-CG 3.43Å; P97-R101 PolarHBondContact O-N 2.86Å; E98-R101 PolarHBondContact O-N 3.05Å; E98-R101 IonicContact OE1-CZ 3.48Å; E98-R101 IonicContact OE1-NH1 3.35Å; E98-R101 PolarHBondContact OE1-NH1 3.44Å; R101-E103 VanDerWaalsContact C-N 3.34Å; R101-E103 PolarHBondContact O-N 2.87Å; R101-Q104 WeakPolarHBondContact O-CB 3.47Å; R101-Q104 PolarHBondContact O-N 3.31Å; R101-E105 WeakPolarHBondContact O-CB 3.48Å; R101-E105 PolarHBondContact O-N 2.97Å
102L90.6Very high88.3Confident96 Ų96110.9 Ų110.950%0.50349%0.493SS..Hα-helixtrans-62.1-39.1177.3-74.1166.3000112.6E98 Y99 E105 R106E98-L102 PolarHBondContact O-N 3.28Å; Y99-L102 PolarHBondContact O-N 3.4Å; L102-E105 PolarHBondContact O-N 2.69Å; L102-R106 WeakPolarHBondContact O-CG 3.13Å; L102-R106 PolarHBondContact O-N 2.95Å
103E87.6Confident87.9Confident61 Ų61109.2 Ų109.229%0.28549%0.493SS..Hα-helixtrans-62.1-45174.4-167.796.7-100.100111.1Y99 R101 R106 D107Y99-E103 WeakPolarHBondContact CE1-OE2 3.37Å; Y99-E103 WeakPolarHBondContact O-CB 3.34Å; Y99-E103 PolarHBondContact O-N 3.17Å; Y99-E103 PolarHBondContact OH-OE2 3.14Å; R101-E103 VanDerWaalsContact C-N 3.34Å; R101-E103 PolarHBondContact O-N 2.87Å; E103-R106 PolarHBondContact O-N 3.09Å; E103-R106 IonicContact OE1-CZ 2.69Å; E103-R106 IonicContact OE1-NH2 3.32Å; E103-R106 PolarHBondContact OE1-NH2 3.5Å; E103-D107 WeakPolarHBondContact O-CB 3.37Å; E103-D107 PolarHBondContact O-N 3.23Å
104Q89.4Confident87.3Confident93 Ų93112.2 Ų112.244%0.43550%0.502SS..Hα-helixtrans-65-38.7176.4-73.2175.16.600112.6R100 R101 D107 R108R100-Q104 VanDerWaalsContact O-CG 3.27Å; R100-Q104 WeakPolarHBondContact O-CG 3.33Å; R100-Q104 PolarHBondContact O-N 3.36Å; R101-Q104 WeakPolarHBondContact O-CB 3.47Å; R101-Q104 PolarHBondContact O-N 3.31Å; Q104-D107 PolarHBondContact O-N 2.96Å; Q104-R108 VanDerWaalsContact O-CG 3.3Å; Q104-R108 WeakPolarHBondContact O-CG 3.4Å; Q104-R108 PolarHBondContact O-N 3.11Å
105E90.7Very high86.8Confident107 Ų107113.1 Ų113.150%0.551%0.505SS..Hα-helixtrans-63.2-49.1175.8-174.7169.7-146.300111R101 L102 D107 R108 D109R101-E105 WeakPolarHBondContact O-CB 3.48Å; R101-E105 PolarHBondContact O-N 2.97Å; L102-E105 PolarHBondContact O-N 2.69Å; E105-D107 PolarHBondContact O-N 2.71Å; E105-R108 WeakPolarHBondContact O-CA 3.45Å; E105-R108 WeakPolarHBondContact O-CB 3.49Å; E105-R108 PolarHBondContact O-N 3.02Å; E105-D109 PolarHBondContact O-N 3.37Å
106R91.1Very high86.5Confident126 Ų126110.3 Ų110.348%0.47550%0.504SS..Hα-helixtrans-58.6-36.2173.1-70.7-170.1-54.7-177.81.6112.7L102 E103 D109 R110L102-R106 WeakPolarHBondContact O-CG 3.13Å; L102-R106 PolarHBondContact O-N 2.95Å; E103-R106 PolarHBondContact O-N 3.09Å; E103-R106 IonicContact OE1-CZ 2.69Å; E103-R106 IonicContact OE1-NH2 3.32Å; E103-R106 PolarHBondContact OE1-NH2 3.5Å; R106-D109 PolarHBondContact O-N 2.64Å; R106-R110 WeakPolarHBondContact O-CB 3.27Å; R106-R110 WeakPolarHBondContact O-CG 3.5Å; R106-R110 PolarHBondContact O-N 2.88Å
107D92.1Very high86.1Confident66 Ų66111.3 Ų111.335%0.35351%0.509SS..Hα-helixtrans-69.4-38.2175.3-83.9-5.6000112.8E103 Q104 E105 D109 R110 K111E103-D107 WeakPolarHBondContact O-CB 3.37Å; E103-D107 PolarHBondContact O-N 3.23Å; Q104-D107 PolarHBondContact O-N 2.96Å; E105-D107 PolarHBondContact O-N 2.71Å; D107-D109 VanDerWaalsContact C-N 3.33Å; D107-R110 PolarHBondContact O-N 3.18Å; D107-R110 IonicContact OD1-CZ 3.39Å; D107-R110 IonicContact OD1-NE 3.28Å; D107-R110 PolarHBondContact OD1-NE 3.3Å; D107-R110 IonicContact OD1-NH2 2.65Å; D107-R110 PolarHBondContact OD1-NH2 3.45Å; D107-K111 WeakPolarHBondContact O-CB 3.44Å; D107-K111 VanDerWaalsContact O-CG 3.31Å; D107-K111 WeakPolarHBondContact O-CG 3.43Å; D107-K111 PolarHBondContact O-N 3.39Å
108R90.4Very high85.6Confident175 Ų175113.6 Ų113.666%0.6651%0.513SS*.Hα-helixtrans-62.1-43.9171.4-72.8171.4-176.2177.92110.3Q104 E105 K111 K112Q104-R108 VanDerWaalsContact O-CG 3.3Å; Q104-R108 WeakPolarHBondContact O-CG 3.4Å; Q104-R108 PolarHBondContact O-N 3.11Å; E105-R108 WeakPolarHBondContact O-CA 3.45Å; E105-R108 WeakPolarHBondContact O-CB 3.49Å; E105-R108 PolarHBondContact O-N 3.02Å; R108-K111 CarbonylContact O-C 3.59Å; R108-K111 PolarHBondContact O-N 2.83Å; R108-K112 VanDerWaalsContact O-CB 3.28Å; R108-K112 WeakPolarHBondContact O-CB 3.35Å; R108-K112 PolarHBondContact O-N 2.96Å
109D89.6Confident85Confident87 Ų87111.5 Ų111.547%0.46551%0.513SS..Hα-helixtrans-65.3-43.4178.1-72.5-19000112.2E105 R106 D107 K111 K112 A113E105-D109 PolarHBondContact O-N 3.37Å; R106-D109 PolarHBondContact O-N 2.64Å; D107-D109 VanDerWaalsContact C-N 3.33Å; D109-K111 VanDerWaalsContact C-N 3.31Å; D109-K111 PolarHBondContact O-N 3.26Å; D109-K112 PolarHBondContact O-N 3.41Å; D109-A113 VanDerWaalsContact O-CB 3.31Å; D109-A113 WeakPolarHBondContact O-CB 3.39Å; D109-A113 PolarHBondContact O-N 2.9Å
110R88.3Confident84.5Confident130 Ų130113.4 Ų113.449%0.49152%0.523SS..Hα-helixtrans-58.2-43.5172.7-78.6-170.7-81.4-152.1-1.9111.6R106 D107 R114R106-R110 WeakPolarHBondContact O-CB 3.27Å; R106-R110 WeakPolarHBondContact O-CG 3.5Å; R106-R110 PolarHBondContact O-N 2.88Å; D107-R110 PolarHBondContact O-N 3.18Å; D107-R110 IonicContact OD1-CZ 3.39Å; D107-R110 IonicContact OD1-NE 3.28Å; D107-R110 PolarHBondContact OD1-NE 3.3Å; D107-R110 IonicContact OD1-NH2 2.65Å; D107-R110 PolarHBondContact OD1-NH2 3.45Å; R110-R114 VanDerWaalsContact O-CG 3.3Å; R110-R114 WeakPolarHBondContact O-CG 3.44Å; R110-R114 PolarHBondContact O-N 3.37Å
111K88.8Confident84.1Confident123 Ų123114 Ų11454%0.53553%0.525SS..Hα-helixtrans-68.1-40.3176.6-73.4175-176.6177.80111.9D107 R108 D109 R114 R115D107-K111 WeakPolarHBondContact O-CB 3.44Å; D107-K111 VanDerWaalsContact O-CG 3.31Å; D107-K111 WeakPolarHBondContact O-CG 3.43Å; D107-K111 PolarHBondContact O-N 3.39Å; R108-K111 CarbonylContact O-C 3.59Å; R108-K111 PolarHBondContact O-N 2.83Å; D109-K111 VanDerWaalsContact C-N 3.31Å; D109-K111 PolarHBondContact O-N 3.26Å; K111-R114 PolarHBondContact O-N 3.42Å; K111-R115 WeakPolarHBondContact O-CG 3.4Å; K111-R115 PolarHBondContact O-N 2.97Å
112K88.8Confident83.9Confident149 Ų149112.1 Ų112.165%0.64852%0.523SS*.Hα-helixtrans-63-45.8176.9-172.3178.4179.3-1760110.5R108 D109 R114 R115 A116R108-K112 VanDerWaalsContact O-CB 3.28Å; R108-K112 WeakPolarHBondContact O-CB 3.35Å; R108-K112 PolarHBondContact O-N 2.96Å; D109-K112 PolarHBondContact O-N 3.41Å; K112-R114 PolarHBondContact O-N 2.9Å; K112-R115 PolarHBondContact O-N 3.48Å; K112-A116 VanDerWaalsContact O-CB 3.32Å; K112-A116 WeakPolarHBondContact O-CB 3.22Å; K112-A116 PolarHBondContact O-N 3.04Å
113A81.4Confident83.5Confident62 Ų62112.9 Ų112.951%0.51253%0.527SS..Hα-helixtrans-61.3-41.6174.700000112.2D109 R115 A116 N117D109-A113 VanDerWaalsContact O-CB 3.31Å; D109-A113 WeakPolarHBondContact O-CB 3.39Å; D109-A113 PolarHBondContact O-N 2.9Å; A113-R115 PolarHBondContact O-N 2.91Å; A113-A116 PolarHBondContact O-N 2.92Å; A113-N117 PolarHBondContact O-N 3.03Å
114R76.5Confident83.2Confident162 Ų162115 Ų11561%0.61154%0.537SS*.Hα-helixtrans-62.3-40173.8-75.3176.9-175.4-172.11.4112.8R110 K111 K112 N117R110-R114 VanDerWaalsContact O-CG 3.3Å; R110-R114 WeakPolarHBondContact O-CG 3.44Å; R110-R114 PolarHBondContact O-N 3.37Å; K111-R114 PolarHBondContact O-N 3.42Å; K112-R114 PolarHBondContact O-N 2.9Å; R114-N117 WeakPolarHBondContact O-CB 3.27Å; R114-N117 PolarHBondContact O-N 2.88Å
115R74.8Confident83.1Confident188 Ų188116.9 Ų116.971%0.70954%0.543SS*.Hα-helixtrans-73-33177.1-70.6174.5-173.7164.1-0.4112.9K111 K112 A113K111-R115 WeakPolarHBondContact O-CG 3.4Å; K111-R115 PolarHBondContact O-N 2.97Å; K112-R115 PolarHBondContact O-N 3.48Å; A113-R115 PolarHBondContact O-N 2.91Å
116A76Confident82.8Confident80 Ų80116.2 Ų116.266%0.66154%0.543SS*.Hα-helixtrans-72-21.3174.400000112K112 A113 E118K112-A116 VanDerWaalsContact O-CB 3.32Å; K112-A116 WeakPolarHBondContact O-CB 3.22Å; K112-A116 PolarHBondContact O-N 3.04Å; A113-A116 PolarHBondContact O-N 2.92Å; A116-E118 PolarHBondContact O-N 2.91Å; A116-E118 VanDerWaalsContact O-N 3.08Å
117N81.1Confident82.6Confident88 Ų88119.1 Ų119.147%0.47155%0.554SS.*  trans-71.2103.3171.5-168.3-42.5000110.1A113 R114 A119 F120 R121A113-N117 PolarHBondContact O-N 3.03Å; R114-N117 WeakPolarHBondContact O-CB 3.27Å; R114-N117 PolarHBondContact O-N 2.88Å; N117-A119 VanDerWaalsContact C-N 3.26Å; N117-A119 PolarHBondContact O-N 3.09Å; N117-A119 WeakPolarHBondContact OD1-CB 3.48Å; N117-A119 PolarHBondContact OD1-N 3.14Å; N117-A119 VanDerWaalsContact OD1-N 3.15Å; N117-F120 HydrophobicContact CB-CB 4.31Å; N117-F120 PolarHBondContact O-N 2.93Å; N117-F120 VanDerWaalsContact O-N 3.17Å; N117-F120 PolarHBondContact OD1-N 3.33Å; N117-R121 PolarHBondContact O-N 3.44Å
118E73.7Confident82.4Confident134 Ų134118.7 Ų118.763%0.62655%0.552SS**Hα-helixtrans-64.2-30.3-175.4-164.9159-163.900113A116 R121 Q122A116-E118 PolarHBondContact O-N 2.91Å; A116-E118 VanDerWaalsContact O-N 3.08Å; E118-R121 PolarHBondContact O-N 3.32Å; E118-Q122 VanDerWaalsContact O-CG 3.31Å; E118-Q122 WeakPolarHBondContact O-CG 3.42Å; E118-Q122 PolarHBondContact O-N 3Å
119A73.4Confident82.4Confident57 Ų57116.4 Ų116.447%0.47155%0.546SS..Hα-helixtrans-65.8-39.6175.100000112N117 Q122 L123N117-A119 VanDerWaalsContact C-N 3.26Å; N117-A119 PolarHBondContact O-N 3.09Å; N117-A119 WeakPolarHBondContact OD1-CB 3.48Å; N117-A119 PolarHBondContact OD1-N 3.14Å; N117-A119 VanDerWaalsContact OD1-N 3.15Å; A119-Q122 PolarHBondContact O-N 2.9Å; A119-L123 WeakPolarHBondContact O-CG 3.3Å; A119-L123 PolarHBondContact O-N 3.35Å
120F76.6Confident82.2Confident106 Ų106116.1 Ų116.147%0.46554%0.544SS..Hα-helixtrans-65.9-40.7174.9-169.8-95.3000111.4N117 Q122 L123 E124N117-F120 HydrophobicContact CB-CB 4.31Å; N117-F120 PolarHBondContact O-N 2.93Å; N117-F120 VanDerWaalsContact O-N 3.17Å; N117-F120 PolarHBondContact OD1-N 3.33Å; F120-Q122 VanDerWaalsContact C-N 3.35Å; F120-Q122 PolarHBondContact O-N 3.03Å; F120-L123 PolarHBondContact O-N 2.82Å; F120-E124 WeakPolarHBondContact O-CB 3.45Å; F120-E124 PolarHBondContact O-N 2.86Å
121R78.3Confident82.2Confident147 Ų147117.1 Ų117.156%0.55555%0.548SS*.Hα-helixtrans-64.3-37.1177-164.7177.8-176.3-168.81.9112.5N117 E118 K125N117-R121 PolarHBondContact O-N 3.44Å; E118-R121 PolarHBondContact O-N 3.32Å; R121-K125 VanDerWaalsContact O-CG 3.31Å; R121-K125 WeakPolarHBondContact O-CG 3.35Å; R121-K125 PolarHBondContact O-N 3.25Å; R121-K125 VanDerWaalsContact O-N 3.11Å
122Q82.4Confident82.2Confident118 Ų118117.4 Ų117.455%0.55155%0.549SS*.Hα-helixtrans-70.3-41.3175.9-71.7177.213.800112E118 A119 F120 E124 K125 L126E118-Q122 VanDerWaalsContact O-CG 3.31Å; E118-Q122 WeakPolarHBondContact O-CG 3.42Å; E118-Q122 PolarHBondContact O-N 3Å; A119-Q122 PolarHBondContact O-N 2.9Å; F120-Q122 VanDerWaalsContact C-N 3.35Å; F120-Q122 PolarHBondContact O-N 3.03Å; Q122-E124 VanDerWaalsContact C-N 3.35Å; Q122-E124 PolarHBondContact O-N 2.87Å; Q122-K125 PolarHBondContact O-N 3.38Å; Q122-L126 PolarHBondContact O-N 3.49Å
123L81.9Confident81.9Confident112 Ų112111.7 Ų111.759%0.58653%0.526SS*.Hα-helixtrans-63.1-39.4174.7-74.4172.2000112.5A119 F120 L126 R127A119-L123 WeakPolarHBondContact O-CG 3.3Å; A119-L123 PolarHBondContact O-N 3.35Å; F120-L123 PolarHBondContact O-N 2.82Å; L123-L126 PolarHBondContact O-N 3.07Å; L123-R127 PolarHBondContact O-N 2.81Å
124E82.3Confident81.9Confident105 Ų105117.4 Ų117.449%0.49153%0.534SS..Hα-helixtrans-65.9-43.2176.4-166.7160.3-12800111.5F120 Q122 L126 R127 D128F120-E124 WeakPolarHBondContact O-CB 3.45Å; F120-E124 PolarHBondContact O-N 2.86Å; Q122-E124 VanDerWaalsContact C-N 3.35Å; Q122-E124 PolarHBondContact O-N 2.87Å; E124-L126 VanDerWaalsContact C-N 3.33Å; E124-L126 PolarHBondContact O-N 3.45Å; E124-R127 PolarHBondContact O-N 3.19Å; E124-D128 WeakPolarHBondContact O-CB 3.26Å; E124-D128 PolarHBondContact O-N 3.04Å
125K86.1Confident82.4Confident132 Ų132118.9 Ų118.957%0.57455%0.545SS*.Hα-helixtrans-58.8-41.5171.9-75.2174.6180-177.80112.5R121 Q122 D128 K129R121-K125 VanDerWaalsContact O-CG 3.31Å; R121-K125 WeakPolarHBondContact O-CG 3.35Å; R121-K125 PolarHBondContact O-N 3.25Å; R121-K125 VanDerWaalsContact O-N 3.11Å; Q122-K125 PolarHBondContact O-N 3.38Å; K125-D128 PolarHBondContact O-N 3.32Å; K125-K129 WeakPolarHBondContact O-CB 3.42Å; K125-K129 PolarHBondContact O-N 3.11Å
126L86.3Confident82.7Confident93 Ų93117.5 Ų117.549%0.48754%0.544SS..Hα-helixtrans-67.1-42.1177.8-175.363.3000111.5Q122 L123 E124 D128 K129 I130Q122-L126 PolarHBondContact O-N 3.49Å; L123-L126 PolarHBondContact O-N 3.07Å; E124-L126 VanDerWaalsContact C-N 3.33Å; E124-L126 PolarHBondContact O-N 3.45Å; L126-D128 VanDerWaalsContact C-N 3.33Å; L126-D128 PolarHBondContact O-N 2.97Å; L126-K129 WeakPolarHBondContact O-CB 3.43Å; L126-K129 PolarHBondContact O-N 2.87Å; L126-I130 HydrophobicContact CD1-CD1 4.48Å; L126-I130 HydrophobicContact CG-CD1 4.09Å; L126-I130 VanDerWaalsContact O-CG1 3.28Å; L126-I130 WeakPolarHBondContact O-CG1 3.11Å; L126-I130 PolarHBondContact O-N 3.4Å
127R86.6Confident82.3Confident187 Ų187116.5 Ų116.571%0.70654%0.541SS*.Hα-helixtrans-60.1-42.8173.8-110.5-174.7176.4-136.9-1.9112.2L123 E124 I130 R131L123-R127 PolarHBondContact O-N 2.81Å; E124-R127 PolarHBondContact O-N 3.19Å; R127-I130 PolarHBondContact O-N 3.31Å; R127-R131 WeakPolarHBondContact O-CB 3.38Å; R127-R131 PolarHBondContact O-N 2.87Å
128D86.8Confident81.6Confident58 Ų58118.6 Ų118.631%0.3155%0.552SS.*Hα-helixtrans-69-36.4177.9-76.3-7.2000112E124 K125 L126 R131 K132E124-D128 WeakPolarHBondContact O-CB 3.26Å; E124-D128 PolarHBondContact O-N 3.04Å; K125-D128 PolarHBondContact O-N 3.32Å; L126-D128 VanDerWaalsContact C-N 3.33Å; L126-D128 PolarHBondContact O-N 2.97Å; D128-R131 PolarHBondContact O-N 3.43Å; D128-R131 IonicContact OD1-CZ 2.57Å; D128-R131 IonicContact OD1-NH1 3.45Å; D128-R131 PolarHBondContact OD1-NH1 2.92Å; D128-R131 IonicContact OD1-NH2 3.53Å; D128-R131 PolarHBondContact OD1-NH2 3.25Å; D128-K132 WeakPolarHBondContact O-CB 3.17Å; D128-K132 VanDerWaalsContact O-CG 3.27Å; D128-K132 WeakPolarHBondContact O-CG 3.43Å; D128-K132 PolarHBondContact O-N 3.35Å
129K91.6Very high80.8Confident126 Ų126116.5 Ų116.555%0.54855%0.545SS..Hα-helixtrans-62.4-49.9172.3-171.4-176.3178.6-144.90110.9K125 L126 R131 K132 D133K125-K129 WeakPolarHBondContact O-CB 3.42Å; K125-K129 PolarHBondContact O-N 3.11Å; L126-K129 WeakPolarHBondContact O-CB 3.43Å; L126-K129 PolarHBondContact O-N 2.87Å; K129-R131 VanDerWaalsContact C-N 3.3Å; K129-R131 PolarHBondContact O-N 3.39Å; K129-K132 CarbonylContact O-C 3.59Å; K129-K132 PolarHBondContact O-N 2.97Å; K129-K132 VanDerWaalsContact O-N 3.09Å; K129-D133 WeakPolarHBondContact CG-OD2 3.41Å; K129-D133 WeakPolarHBondContact O-CB 3.41Å; K129-D133 VanDerWaalsContact O-CG 3.24Å; K129-D133 PolarHBondContact O-N 3.45Å
130I84.3Confident80Confident82 Ų82118.8 Ų118.842%0.42155%0.553SS.*Hα-helixtrans-58.8-41.8176.5-67.7164.8000111L126 R127 K132 D133 R134 L139L126-I130 HydrophobicContact CD1-CD1 4.48Å; L126-I130 HydrophobicContact CG-CD1 4.09Å; L126-I130 VanDerWaalsContact O-CG1 3.28Å; L126-I130 WeakPolarHBondContact O-CG1 3.11Å; L126-I130 PolarHBondContact O-N 3.4Å; R127-I130 PolarHBondContact O-N 3.31Å; I130-K132 VanDerWaalsContact C-N 3.34Å; I130-K132 PolarHBondContact O-N 3.21Å; I130-D133 PolarHBondContact O-N 3.4Å; I130-R134 VanDerWaalsContact O-CB 3.29Å; I130-R134 WeakPolarHBondContact O-CB 3.31Å; I130-R134 PolarHBondContact O-N 2.99Å; I130-L139 HydrophobicContact CG2-CD2 4.5Å
131R88.4Confident79Confident150 Ų150119 Ų11957%0.56656%0.563SS**Hα-helixtrans-63.3-40.8176.8-163.3-174.1-54.9110.27.5111.8R127 D128 K129 K135R127-R131 WeakPolarHBondContact O-CB 3.38Å; R127-R131 PolarHBondContact O-N 2.87Å; D128-R131 PolarHBondContact O-N 3.43Å; D128-R131 IonicContact OD1-CZ 2.57Å; D128-R131 IonicContact OD1-NH1 3.45Å; D128-R131 PolarHBondContact OD1-NH1 2.92Å; D128-R131 IonicContact OD1-NH2 3.53Å; D128-R131 PolarHBondContact OD1-NH2 3.25Å; K129-R131 VanDerWaalsContact C-N 3.3Å; K129-R131 PolarHBondContact O-N 3.39Å; R131-K135 WeakPolarHBondContact O-CB 3.44Å; R131-K135 PolarHBondContact O-N 2.89Å
132K89.4Confident77.5Confident129 Ų129116.1 Ų116.156%0.56156%0.558SS**Hα-helixtrans-69.6-43177.1-74.3172.9-177.7179.10111.7D128 K129 I130 R134 K135 K136D128-K132 WeakPolarHBondContact O-CB 3.17Å; D128-K132 VanDerWaalsContact O-CG 3.27Å; D128-K132 WeakPolarHBondContact O-CG 3.43Å; D128-K132 PolarHBondContact O-N 3.35Å; K129-K132 CarbonylContact O-C 3.59Å; K129-K132 PolarHBondContact O-N 2.97Å; K129-K132 VanDerWaalsContact O-N 3.09Å; I130-K132 VanDerWaalsContact C-N 3.34Å; I130-K132 PolarHBondContact O-N 3.21Å; K132-R134 VanDerWaalsContact C-N 3.35Å; K132-K135 CarbonylContact O-C 3.56Å; K132-K135 PolarHBondContact O-N 3.11Å; K132-K135 VanDerWaalsContact O-N 3.17Å; K132-K136 WeakPolarHBondContact O-CB 3.24Å; K132-K136 WeakPolarHBondContact O-CG 3.5Å; K132-K136 PolarHBondContact O-N 3.3Å
133D81.8Confident76.1Confident30 Ų30115.6 Ų115.616%0.1657%0.565CS.*Hα-helixtrans-67.6-37.7-179.6-66.7-9.6000110.8K129 I130 K136 G137 L138K129-D133 WeakPolarHBondContact CG-OD2 3.41Å; K129-D133 WeakPolarHBondContact O-CB 3.41Å; K129-D133 VanDerWaalsContact O-CG 3.24Å; K129-D133 PolarHBondContact O-N 3.45Å; I130-D133 PolarHBondContact O-N 3.4Å; D133-K136 CarbonylContact O-C 3.56Å; D133-K136 PolarHBondContact O-N 3.05Å; D133-G137 PolarHBondContact O-N 3.27Å; D133-G137 VanDerWaalsContact O-N 3.15Å; D133-L138 HydrophobicContact CB-CB 4.43Å; D133-L138 PolarHBondContact O-N 2.9Å
134R82.1Confident74.8Confident182 Ų182115.6 Ų115.669%0.68757%0.57SS**Hα-helixtrans-65.4-39170.4-160.9175.9103.3177.68.2112.3I130 K132 K136 G137I130-R134 VanDerWaalsContact O-CB 3.29Å; I130-R134 WeakPolarHBondContact O-CB 3.31Å; I130-R134 PolarHBondContact O-N 2.99Å; K132-R134 VanDerWaalsContact C-N 3.35Å; R134-K136 VanDerWaalsContact C-N 3.27Å; R134-K136 PolarHBondContact O-N 2.85Å; R134-G137 PolarHBondContact O-N 3.17Å
135K85.9Confident73.3Confident193 Ų193117.7 Ų117.784%0.83958%0.58SS**Hα-helixtrans-68.5-27.4175-172.1174-178-179.90112.6R131 K132R131-K135 WeakPolarHBondContact O-CB 3.44Å; R131-K135 PolarHBondContact O-N 2.89Å; K132-K135 CarbonylContact O-C 3.56Å; K132-K135 PolarHBondContact O-N 3.11Å; K132-K135 VanDerWaalsContact O-N 3.17Å
136K82.8Confident71.5Confident158 Ų158117.5 Ų117.569%0.68758%0.584SS**THydrogen-bonded Turntrans-89.20.9177.8-70.6175.1177.7-168.30113.4K132 D133 R134 L138K132-K136 WeakPolarHBondContact O-CB 3.24Å; K132-K136 WeakPolarHBondContact O-CG 3.5Å; K132-K136 PolarHBondContact O-N 3.3Å; D133-K136 CarbonylContact O-C 3.56Å; D133-K136 PolarHBondContact O-N 3.05Å; R134-K136 VanDerWaalsContact C-N 3.27Å; R134-K136 PolarHBondContact O-N 2.85Å; K136-L138 PolarHBondContact O-N 2.93Å
137G67.4Low69.9Low59 Ų59116.6 Ų116.661%0.60858%0.584SS**THydrogen-bonded Turntrans6912.9-178.200000114.7D133 R134 L139D133-G137 PolarHBondContact O-N 3.27Å; D133-G137 VanDerWaalsContact O-N 3.15Å; R134-G137 PolarHBondContact O-N 3.17Å; G137-L139 VanDerWaalsContact C-N 3.35Å
138L64.8Low68.5Low133 Ų133113.2 Ų113.270%0.69659%0.587SS**  trans-83.4-14-176.6-165.764.5000112.7D133 K136D133-L138 HydrophobicContact CB-CB 4.43Å; D133-L138 PolarHBondContact O-N 2.9Å; K136-L138 PolarHBondContact O-N 2.93Å
139L58Low67Low89 Ų89118.2 Ų118.247%0.46661%0.608SS.*SBendtrans-104.397.2174.2-149.184.1000108.5I130 G137 T141I130-L139 HydrophobicContact CG2-CD2 4.5Å; G137-L139 VanDerWaalsContact C-N 3.35Å; L139-T141 PolarHBondContact O-N 2.83Å
140V56.3Low65.1Low106 Ų106119 Ų11964%0.64261%0.611SS**  trans-66.1115.8169.2173.10000107.5D142V140-D142 HydrophobicContact CG1-CB 4.38Å
141T56.2Low63.6Low111 Ų111118.3 Ų118.368%0.68162%0.618SS**  trans-98.115.4-178.857.60000113L139L139-T141 PolarHBondContact O-N 2.83Å
142D46Very low62Low86 Ų86115.4 Ų115.446%0.4663%0.626SS.*  trans-105.3110.3-176.6-147.4-22.9000110.7V140 T144V140-D142 HydrophobicContact CG1-CB 4.38Å; D142-T144 VanDerWaalsContact CG-OG1 3.22Å; D142-T144 PolarHBondContact O-N 2.57Å; D142-T144 PolarHBondContact OD1-OG1 3.3Å
143P53Low60Low107 Ų107116.9 Ų116.970%0.69564%0.637SS**G310 helixtrans-70.8-3.3-178.928.9-34.8000113.9Q145P143-Q145 VanDerWaalsContact C-N 3.33Å
144T54.6Low58.6Low112 Ų112121.3 Ų121.369%0.68766%0.66SS**G310 helixtrans-82.5-2.4179.844.50000114.6D142D142-T144 VanDerWaalsContact CG-OG1 3.22Å; D142-T144 PolarHBondContact O-N 2.57Å; D142-T144 PolarHBondContact OD1-OG1 3.3Å
145Q52.1Low56.8Low148 Ų148117.5 Ų117.569%0.69266%0.658SS**G310 helixtrans-113.131.1-179.4-63.3-168.447.700113.8P143P143-Q145 VanDerWaalsContact C-N 3.33Å
146L46.5Very low55.2Low128 Ų128114.4 Ų114.467%0.6766%0.658SS**  trans-82.4134.2170.6-73.6172.2000110.6
147P53.1Low53.3Low75 Ų75112.8 Ų112.849%0.48766%0.661SS.*  trans-55.7145.1178.9-25.633.5000113E149 F150P147-E149 PolarHBondContact O-N 3.34Å; P147-F150 PolarHBondContact O-N 2.9Å; P147-F150 VanDerWaalsContact O-N 3.13Å
148P56.9Low52.2Low116 Ų116115.2 Ų115.275%0.75367%0.666SS**G310 helixtrans-55.9-24-177.1-2532.8000115.1F150 A151P148-F150 VanDerWaalsContact C-N 3.25Å; P148-F150 PolarHBondContact O-N 3.15Å; P148-A151 PolarHBondContact O-N 2.95Å
149E55Low51.1Low163 Ų163115.3 Ų115.376%0.76267%0.672SS**G310 helixtrans-58.7-33.5177.7-102.4-170.7147.600113.4P147P147-E149 PolarHBondContact O-N 3.34Å
150F51.8Low50.2Low141 Ų141117.4 Ų117.462%0.61869%0.688SS**G310 helixtrans-83.4-16.5-178.1-80.7-87.1000113.6P147 P148P147-F150 PolarHBondContact O-N 2.9Å; P147-F150 VanDerWaalsContact O-N 3.13Å; P148-F150 VanDerWaalsContact C-N 3.25Å; P148-F150 PolarHBondContact O-N 3.15Å
151A52.8Low49.3Very low69 Ų69121 Ų12157%0.5770%0.695SS**THydrogen-bonded Turntrans-77.3-24.5177.600000112.6P148 M153P148-A151 PolarHBondContact O-N 2.95Å; A151-M153 VanDerWaalsContact C-N 3.34Å; A151-M153 PolarHBondContact O-N 3.3Å
152A54.9Low48.8Very low88 Ų88122 Ų12273%0.72770%0.703SS**THydrogen-bonded Turntrans-78.4-13.1-178.500000114.4I154A152-I154 VanDerWaalsContact C-N 3.35Å
153M49.1Very low48.1Very low160 Ų160127 Ų12779%0.78872%0.724SS**THydrogen-bonded Turntrans-88.1-0.7177.9-68.7-167.272.900113.9A151A151-M153 VanDerWaalsContact C-N 3.34Å; A151-M153 PolarHBondContact O-N 3.3Å
154I51.2Low47.2Very low124 Ų124128.7 Ų128.764%0.63673%0.732SS**SBendtrans-91.8115.5176.3-54.3176.7000107.6A152A152-I154 VanDerWaalsContact C-N 3.35Å
155P45.6Very low46.1Very low102 Ų102126.2 Ų126.266%0.66273%0.729SS**PPolyproline II helixtrans-63.2138.7178.725.3-32.2000110.1V157P155-V157 PolarHBondContact O-N 3.23Å
156P51.1Low45.1Very low127 Ų127126.2 Ų126.283%0.82574%0.738SS**PPolyproline II helixtrans-66.4123.8-177.926.1-32.3000110.1
157V42.8Very low44.7Very low124 Ų124125.5 Ų125.575%0.75274%0.744SS**PPolyproline II helixtrans-71.4128.8171.1177.10000108.2P155 V159P155-V157 PolarHBondContact O-N 3.23Å; V157-V159 PolarHBondContact O-N 2.99Å; V157-V159 VanDerWaalsContact O-N 3.16Å
158P44Very low43.9Very low111 Ų111128 Ų12872%0.72176%0.76SS**PPolyproline II helixtrans-64.2118.217822.6-29.9000110.5V160P158-V160 PolarHBondContact O-N 2.92Å
159V42.5Very low42.8Very low134 Ų134126.8 Ų126.881%0.81276%0.76SS**  trans-74.8107.3174.1176.60000108.4V157V157-V159 PolarHBondContact O-N 2.99Å; V157-V159 VanDerWaalsContact O-N 3.16Å
160V39.7Very low41.9Very low133 Ų133124.8 Ų124.881%0.80676%0.762SS**  trans-93114.4164.6-174.30000107.9P158P158-V160 PolarHBondContact O-N 2.92Å
161K37.5Very low41.2Very low182 Ų182123.7 Ų123.779%0.79177%0.768SS**  trans-62.3140.8172.9-83.1170.6171172.90110.3E163K161-E163 PolarHBondContact O-N 2.86Å
162P44.3Very low40.6Very low131 Ų131126.8 Ų126.885%0.85178%0.783SS**  trans-86.1109.3168.732.1-25.7000108.9
163E30.7Very low39.5Very low192 Ų192126 Ų12690%0.89778%0.783SS**  trans-100.5136166.1-157.1180144.400109.4K161K161-E163 PolarHBondContact O-N 2.86Å
164V34.9Very low38.8Very low143 Ų143127.2 Ų127.287%0.86779%0.787SS**  trans-81.1132.9-176.1169.70000109.7
165G31.7Very low38.1Very low60 Ų60130.1 Ų130.162%0.61980%0.797SS**  trans103.1145148.300000117
166V31.1Very low37.9Very low147 Ų147134.6 Ų134.689%0.89181%0.809SS**  trans88105165.9-1520000116.4
167S37.8Very low37.2Very low114 Ų114134.2 Ų134.280%0.79781%0.807SS**  trans-56148.9164.1-55.60000112.3
168P36.5Very low37.1Very low127 Ų127134 Ų13483%0.82581%0.806SS**  trans-128.7148.4139.526.7-9.6000113
169A33.8Very low37.2Very low91 Ų91134.3 Ų134.375%0.75281%0.808SS**PPolyproline II helixtrans-58.4159.1176.400000113.6
170P35.9Very low37.4Very low121 Ų121136 Ų13679%0.78681%0.808SS**PPolyproline II helixtrans-86.8145.4-178.334.6-31.6000112.1
171P36.3Very low37.7Very low117 Ų117136.5 Ų136.576%0.7681%0.805SS**PPolyproline II helixtrans-86.7155.8160.533.9-28.9000111.1
172P40.8Very low38.4Very low135 Ų135135.4 Ų135.488%0.87780%0.802SS**PPolyproline II helixtrans-87.9134.8-173.834.4-30.8000111.4
173G31.6Very low38.9Very low70 Ų70136 Ų13672%0.72279%0.794SS**  trans158.399.7167.600000115.3
174Q35.4Very low40Very low187 Ų187133.4 Ų133.487%0.87478%0.782SS**  trans54.3103153.3-62.3-147.561.200120
175Q36.2Very low41Very low184 Ų184133.3 Ų133.386%0.8677%0.772SS**  174.5131.9105.3-90175.336.400109.3
176Q41.4Very low42.1Very low196 Ų196137.8 Ų137.892%0.91678%0.776SS**PPolyproline II helixtrans-67.6133.6-179.7-72.2-177.3-19.400111.9
177P37.1Very low43.3Very low120 Ų120137.5 Ų137.578%0.77977%0.765SS**PPolyproline II helixtrans-89.2129.8157.71.417.5000110.6
178T39.9Very low44Very low118 Ų118138.8 Ų138.872%0.72476%0.759SS**PPolyproline II helixtrans-47.4137.8172.41.80000113.6Q180T178-Q180 PolarHBondContact O-N 2.92Å
179P45.2Very low44.8Very low119 Ų119139 Ų13977%0.77375%0.752SS**THydrogen-bonded Turntrans-67.913.6-176.924.3-32.8000116.4
180Q46.8Very low45.8Very low170 Ų170142.9 Ų142.979%0.79476%0.755SS**Hα-helixtrans-84.5-24.7-175.7-151.7-178.778.900113.5T178T178-Q180 PolarHBondContact O-N 2.92Å
181L47.5Very low46.4Very low142 Ų142145.2 Ų145.274%0.74376%0.755SS**Hα-helixtrans-79.5-29.4-177.6-143.590000113.1Q184 Q185L181-Q184 PolarHBondContact O-N 3.31Å; L181-Q185 PolarHBondContact O-N 3.17Å
182Q51.5Low46.8Very low159 Ų159147.7 Ų147.774%0.74376%0.756SS**Hα-helixtrans-75.1-27-176.7-163.516160.300112.6
183Q54.8Low47Very low144 Ų144149.8 Ų149.867%0.67376%0.755SS**Hα-helixtrans-74-28.9175.2-149.6-166.8104.300112.3Q187Q183-Q187 PolarHBondContact O-N 3.32Å
184Q54.5Low47.4Very low138 Ų138155.3 Ų155.365%0.64576%0.762SS**Hα-helixtrans-73.4-30.8178.3-163.6176.58800112.1L181L181-Q184 PolarHBondContact O-N 3.31Å
185Q54.3Low47.4Very low141 Ų141152.3 Ų152.366%0.65976%0.756SS**Hα-helixtrans-72.5-33.8177.3-159.2179.695.700112.2L181 Q187 Q188L181-Q185 PolarHBondContact O-N 3.17Å; Q185-Q187 VanDerWaalsContact C-N 3.32Å; Q185-Q187 PolarHBondContact O-N 3.03Å; Q185-Q188 PolarHBondContact O-N 3.41Å
186Q55.7Low47.5Very low153 Ų153149 Ų14972%0.71575%0.75SS**Hα-helixtrans-72.4-26.4179.1-145.1178.1102.800112.8Q188Q186-Q188 VanDerWaalsContact C-N 3.31Å; Q186-Q188 PolarHBondContact O-N 3.01Å
187Q56.2Low47.3Very low141 Ų141148 Ų14866%0.65975%0.746SS**Hα-helixtrans-75-20.6176.4-135.5166.891.900112.9Q183 Q185Q183-Q187 PolarHBondContact O-N 3.32Å; Q185-Q187 VanDerWaalsContact C-N 3.32Å; Q185-Q187 PolarHBondContact O-N 3.03Å
188Q53.6Low47.3Very low141 Ų141150.8 Ų150.866%0.65975%0.748SS**Hα-helixtrans-81.6-27.5178.4-125.7177.88100113.2Q185 Q186Q185-Q188 PolarHBondContact O-N 3.41Å; Q186-Q188 VanDerWaalsContact C-N 3.31Å; Q186-Q188 PolarHBondContact O-N 3.01Å
189L53.2Low47.3Very low132 Ų132152.9 Ų152.969%0.69175%0.75SS**Hα-helixtrans-75.5-21.8176.7-86.9132.9000113.5
190Q53.1Low46.9Very low172 Ų172155.6 Ų155.680%0.80475%0.752SS**G310 helixtrans-83.4-14.7-179.8-155.115494.500113.8
191Q48.9Very low46.3Very low170 Ų170156.2 Ų156.279%0.79476%0.755SS**G310 helixtrans-83.9-12.5177.1-77.8-99.593.800113.9
192H44.9Very low45.9Very low169 Ų169157.3 Ų157.378%0.78276%0.756SS**G310 helixtrans-90.52.7-179.5-88.388000115
193Q44.8Very low45.1Very low179 Ų179158.9 Ų158.984%0.83676%0.763SS**G310 helixtrans-109.119-177.4-114.8-137.998.200116.1
194Q40Very low44.2Very low187 Ų187161.1 Ų161.187%0.87477%0.774SS**  trans-114.777.5167.9-72-169.74.900111.3
195V35.8Very low43.4Very low124 Ų124160.1 Ų160.175%0.75278%0.779SS**  trans-82.3119.8155.8179.10000107Q197V195-Q197 PolarHBondContact O-N 3.49Å
196P37.9Very low42.7Very low114 Ų114159 Ų15974%0.7478%0.784SS**  trans-76105165.6115.8000107.8Q198P196-Q198 PolarHBondContact O-N 3.26Å
197Q38Very low42.2Very low176 Ų176157.4 Ų157.482%0.82279%0.787SS**  trans-71.7100.5163.6-154.8-163.389.400107.3V195V195-Q197 PolarHBondContact O-N 3.49Å
198Q37.5Very low41.7Very low177 Ų177157.2 Ų157.283%0.82780%0.796SS**PPolyproline II helixtrans-82.5116.7168.3-84.3-11870.700108.9P196 Q200P196-Q198 PolarHBondContact O-N 3.26Å; Q198-Q200 PolarHBondContact O-N 3.45Å
199Q38.2Very low41.2Very low163 Ų163158.5 Ų158.576%0.76280%0.801SS**PPolyproline II helixtrans-57127.7167.7-91.2174.612.400110.7Q201Q199-Q201 PolarHBondContact O-N 3.06Å
200Q38.3Very low40.8Very low175 Ų175159.3 Ų159.382%0.81881%0.806SS**PPolyproline II helixtrans-68.4118155.5-87.6175.9500108.9Q198Q198-Q200 PolarHBondContact O-N 3.45Å
201Q34.1Very low40.3Very low184 Ų184159.7 Ų159.786%0.8681%0.807SS**  trans-123.4130.3145.9-103.4-164.624.300109Q199Q199-Q201 PolarHBondContact O-N 3.06Å
202H39.2Very low40.2Very low164 Ų164159.3 Ų159.376%0.75981%0.806SS**  trans-68133.1-178-75.246.6000111.1
203Q33.5Very low40.3Very low192 Ų192158.7 Ų158.790%0.89780%0.803SS**  trans-152.3127140.4-98.1-162.790.700109.7
204Q36.6Very low40.5Very low191 Ų191157.2 Ų157.289%0.89380%0.796SS**PPolyproline II helixtrans-67.3147176.5-66.2-177.9-35.800111.7
205P36.8Very low41.1Very low117 Ų117154.9 Ų154.976%0.7679%0.789SS**PPolyproline II helixtrans-100.4150.9160.734.1-27.1000112.1
206P40.3Very low41.8Very low118 Ų118152.3 Ų152.377%0.76678%0.777SS**PPolyproline II helixtrans-79.6160.817233.7-32.7000111.7
207P46.2Very low42.4Very low120 Ų120153 Ų15378%0.77977%0.77SS**  trans-99.4107.7-172.734.9-26.3000112
208T45.8Very low42.9Very low137 Ų137152.2 Ų152.284%0.8477%0.766SS**  trans-175.388.9157.419.60000110.9
209H42.6Very low43.5Very low167 Ų167150 Ų15077%0.77376%0.759SS**SBendtrans-168.620.6153.9-143-86.6000116
210L43.4Very low44Very low149 Ų149145.1 Ų145.178%0.7875%0.746SS**SBendtrans-100.6-10.3178.4-106.990.7000114.9
211Q44.3Very low44.6Very low180 Ų180143.8 Ų143.884%0.84174%0.74SS**SBendtrans-89.8-23.1-168.9-159.7135.418.900114.5
212E46.2Very low45.1Very low163 Ų163142.1 Ų142.176%0.76273%0.732SS**Hα-helixtrans-83.1-24.6-175.8-156.4176.5101.300113.5
213Q48Very low45.4Very low155 Ų155144.9 Ų144.972%0.72474%0.736SS**Hα-helixtrans-79.6-22.1-175.5-161.4169.673.800113.6S216Q213-S216 PolarHBondContact O-OG 3.2Å
214Q49Very low45.8Very low149 Ų149142.8 Ų142.870%0.69673%0.731SS**Hα-helixtrans-82.2-26.4177.6-70.6-171.52100113.4
215L51.8Low46.2Very low137 Ų137144.6 Ų144.672%0.71773%0.729SS**Hα-helixtrans-72.6-33.8-179.1-133.278.5000112.5H217 Q218L215-H217 PolarHBondContact O-N 3.35Å; L215-Q218 PolarHBondContact O-N 3.24Å
216S51.4Low46.3Very low70 Ų70146.8 Ų146.849%0.4973%0.731SS.*Hα-helixtrans-68.7-32.5-179.561.30000113.9Q213Q213-S216 PolarHBondContact O-OG 3.2Å
217H49.2Very low46.5Very low129 Ų129149.7 Ų149.760%0.59774%0.737SS**Hα-helixtrans-75.6-26.8179.6-84.970.3000112.9L215 H221L215-H217 PolarHBondContact O-N 3.35Å; H217-H221 PolarHBondContact O-CD2 2.93Å
218Q49.8Very low46Very low160 Ų160149.4 Ų149.475%0.74874%0.738SS**Hα-helixtrans-77.2-34.3179.8-135.9-177.19600112.1L215 A220L215-Q218 PolarHBondContact O-N 3.24Å; Q218-A220 PolarHBondContact O-N 2.99Å
219L49.8Very low45.5Very low131 Ų131148.5 Ų148.569%0.68674%0.737SS**Hα-helixtrans-71.7-29.6179.9-14975.1000112.9H221L219-H221 PolarHBondContact O-N 3Å
220A48.9Very low45Very low59 Ų59149.4 Ų149.449%0.48874%0.742SS.*Hα-helixtrans-71.3-27.7-179.300000113.8Q218Q218-A220 PolarHBondContact O-N 2.99Å
221H49.2Very low44.5Very low148 Ų148150 Ų15069%0.68575%0.745SS**Hα-helixtrans-83.1-20.5179.6-76.3-58.2000113.8H217 L219H217-H221 PolarHBondContact O-CD2 2.93Å; L219-H221 PolarHBondContact O-N 3Å
222Q44.8Very low43.8Very low148 Ų148147.2 Ų147.269%0.69274%0.74SS**Hα-helixtrans-76.5-31.8178.2-159.2-172.488.500112.1N224Q222-N224 PolarHBondContact O-N 2.97Å
223R45.1Very low43.2Very low222 Ų222147.2 Ų147.284%0.83874%0.74SS**THydrogen-bonded Turntrans-74.7-19.8-175.5-157.2176.3175.6120.3-0.2114.5
224N43.8Very low42.3Very low148 Ų148147.1 Ų147.179%0.79174%0.744SS**THydrogen-bonded Turntrans-92.62.2-177.8-87.5-51.6000114.7Q222Q222-N224 PolarHBondContact O-N 2.97Å
225R44.1Very low41.3Very low229 Ų229145 Ų14586%0.86475%0.751SS**SBendtrans-97.8-1-173.8-130.8-178.4-154.3-163.25.7115.5
226M39.7Very low40.4Very low163 Ų163145 Ų14580%0.80376%0.757SS**SBendtrans-108.13.1-169.2-61.6-89.9-139.900115.2
227M42.7Very low40.3Very low179 Ų179147 Ų14788%0.88277%0.769SS**SBendtrans-129.860-172.5-62.5-65.1-86.500113.6
228S36.2Very low40.1Very low115 Ų115146.7 Ų146.780%0.80478%0.778SS**  trans-161.887.1163.8-178.50000110.9
229S34.9Very low39.2Very low117 Ų117142.8 Ų142.882%0.81877%0.774SS**  trans-155.5140.4162.3-68.30000108.5
230Q33.6Very low38.3Very low186 Ų186146 Ų14687%0.86978%0.784SS**  trans94.1101179.9-51.5-171.830.100115.9
231L31.6Very low37.6Very low163 Ų163148.2 Ų148.285%0.85380%0.803SS**  178.7138.584.9-14987000111.8
232T31.1Very low37.1Very low120 Ų120146.7 Ų146.774%0.73681%0.809SS**  trans-75.4147.6175.4-35.70000110.4
233Q32.8Very low36.9Very low163 Ų163148.1 Ų148.176%0.76282%0.816SS**  173.9148.384.2-79.6-165.358.100113.8
234L29.9Very low36.6Very low154 Ų154145.3 Ų145.381%0.80682%0.816SS**  trans47.7119.4146.5-9365.9000122.8
235A26.8Very low36.7Very low103 Ų103147.6 Ų147.685%0.85182%0.822SS**  166.3129.3109.300000112.7
236T33.2Very low36.6Very low137 Ų137145.6 Ų145.684%0.8482%0.823SS**  trans-107.6175.9159.439.30000108.3
237P48.5Very low36.7Very low114 Ų114146 Ų14674%0.7483%0.827SS**  cis-133.1-145.8-14.235.5-11.6000110.4
238P46.5Very low36.5Very low121 Ų121144.9 Ų144.979%0.78683%0.825SS**  cis-131-175.5-21.323.81.8000116.4
239A29.7Very low36.6Very low79 Ų79148.9 Ų148.965%0.65383%0.828SS**  trans-53.7156.8-178.700000119.7
240H31.9Very low36.8Very low197 Ų197151.6 Ų151.691%0.91283%0.832SS**  177.2157.2121.3-89-64.5000112.2
241A32.7Very low37.2Very low106 Ų106150.7 Ų150.788%0.87683%0.828SS**  trans93.379.8164.200000119.8
242S38.5Very low37.7Very low116 Ų116150.5 Ų150.581%0.81182%0.823SS**  trans-13096.6152.7680000110.2
243H41.4Very low37.8Very low179 Ų179153.4 Ų153.483%0.82983%0.832SS**  trans-156.410.2173.1-158.963.8000118.4
244L39.5Very low37.7Very low162 Ų162156.1 Ų156.185%0.84884%0.837SS**SBendtrans-141.860-174.3-84.8172.1000115.4
245Q45.7Very low38.8Very low196 Ų196153.7 Ų153.792%0.91683%0.831SS**SBendtrans-14915.9167.8-117144.139.800116.4
246Q42.6Very low39.4Very low188 Ų188155.1 Ų155.188%0.87983%0.832SS**SBendtrans-100.23.7-174.6-139.7166.64.800115.1
247L40.3Very low39.6Very low170 Ų170159.7 Ų159.789%0.8983%0.833SS**SBendtrans-113.410.7-171.7-70.7176.2000116.9
248N38.3Very low39Very low157 Ų157158.3 Ų158.384%0.8483%0.827SS**SBendtrans-119.327.1-177.3-142.2-46.6000114.8
249K39.3Very low38.4Very low199 Ų199162.5 Ų162.587%0.86583%0.833SS**SBendtrans-120.112.9178.9-71.6-172178.5-174.70114.8
250L39.8Very low38.4Very low173 Ų173162.1 Ų162.191%0.90684%0.837SS**SBendtrans-115.114.4-176.5-80.1169.9000115.2
251Q41.7Very low38.5Very low167 Ų167161.9 Ų161.978%0.7884%0.836SS**SBendtrans-120.9137.6165.7-87.3-176.644.300109.7
252Q40.6Very low39.2Very low160 Ų160162.9 Ų162.975%0.74883%0.833SS**  trans99.347.6166.8-42.8-57.32.700119.2
253L34.1Very low38.8Very low180 Ų180162.2 Ų162.294%0.94283%0.834SS**  trans-80.6122.1140.6-86.3114.9000109.2
254Y30.1Very low38.7Very low220 Ų220161 Ų16186%0.86383%0.833SS**  trans-61.6177.9-179.9-91.4-91.3000116.4
255P53.9Low39Very low103 Ų103159.1 Ų159.167%0.66983%0.831SS**  cis-133.2-171.1-13.635.2-14.3000114.3
256P40.2Very low38.5Very low134 Ų134156.3 Ų156.387%0.8782%0.821SS**  -141.7175.1106.238-23000115.8
257R35.7Very low38Very low232 Ų232152.4 Ų152.488%0.87582%0.821SS**  trans-108.1143.4-165.5-149.7-174.2-173.91750.6111.9
258S36.3Very low37.8Very low86 Ų86148.1 Ų148.160%0.60182%0.817SS**  trans65.7117.8149.562.70000122.1
259F34.9Very low37.7Very low208 Ų208145.8 Ų145.891%0.91281%0.808SS**  159.2143.3103.7-95.8-78.2000111.7
260G29Very low37.5Very low72 Ų72143.5 Ų143.574%0.74281%0.811SS**  trans105105.3151.600000117.9
261H34.1Very low37.4Very low192 Ų192142.6 Ų142.689%0.88981%0.807SS**  trans-64157.2155.9-67.9-78.3000110.8
262P46.5Very low37.4Very low127 Ų127142.8 Ų142.883%0.82581%0.809SS**  -135.4169.6117.932.1-16.9000114
263A31.1Very low37.8Very low101 Ų101140.1 Ų140.184%0.83581%0.806SS**  trans-79.1167.4-16000000116.3
264L38.4Very low38.1Very low153 Ų153140.6 Ų140.680%0.80180%0.804SS**  trans-61.1171.2172.5-59.8167.4000114
265P45.7Very low38.3Very low123 Ų123138 Ų13880%0.79980%0.804SS**  -128113.2113.533.8-23.8000111.1
266I36.8Very low37.3Very low138 Ų138138.5 Ų138.571%0.70881%0.808SS**  55.6114100.1-55.6174000115.7
267A32.1Very low37.2Very low106 Ų106140.8 Ų140.888%0.87681%0.807SS**  -154.4120.7129.100000109.3
268G35.6Very low37.8Very low79 Ų79135.9 Ų135.981%0.81481%0.805SS**  trans133.868.8172.900000114.6
269V34.9Very low37.8Very low108 Ų108138.7 Ų138.766%0.65581%0.812SS**  trans-85.7133.4177.4178.90000110L271V269-L271 HydrophobicContact CG1-CD1 4.34Å; V269-L271 HydrophobicContact CG1-CG 4.27Å
270T36.5Very low37.8Very low151 Ų151137.2 Ų137.293%0.92681%0.813SS**  trans-152.8128.3138.117.50000110.8
271L38.3Very low38.2Very low155 Ų155141.3 Ų141.381%0.81281%0.812SS**  trans-82.2151.5-166.7-73.3144.9000113.1V269V269-L271 HydrophobicContact CG1-CD1 4.34Å; V269-L271 HydrophobicContact CG1-CG 4.27Å
272M39.8Very low38.3Very low170 Ų170139.5 Ų139.584%0.83780%0.804SS**  trans-73.9161.1155.3-75.7-91.47900110.8
273P50.2Low37.6Very low104 Ų104140.1 Ų140.168%0.67580%0.8SS**  trans-130.3133.9137.732.3-18.4000113
274Q39.5Very low37.9Very low191 Ų191143.1 Ų143.189%0.89380%0.802SS**  trans-70.1143.2152.9-84.4-170.6-18.400109.3
275L35.3Very low37.8Very low165 Ų165141 Ų14186%0.86480%0.8SS**  trans-145.6140.6160.2-108.8129.9000111.1
276C32.6Very low37.1Very low113 Ų113139.2 Ų139.276%0.76480%0.795SS**  trans-77.2165-169.1-51.70000113.7
277H38.6Very low36.8Very low182 Ų182138.3 Ų138.384%0.84380%0.796SS**  trans-44.2164.5177.5-54.278.4000117.3
278P47Very low36.7Very low129 Ų129140.3 Ų140.384%0.83879%0.792SS**  -145.3165.994.236.8-19.3000117.3
279I36.3Very low36.5Very low146 Ų146147.4 Ų147.475%0.74980%0.795SS**  trans-58.7136.7171.6-66.3152.4000112.6
280L36.7Very low36.3Very low176 Ų176146.9 Ų146.992%0.92180%0.802SS**  trans-142.9129.5144.1-84.7-179.1000111
281H35.6Very low36Very low159 Ų159142.9 Ų142.974%0.73679%0.791SS**  trans-73.7-179.7173.6-120.8-115.1000111.8
282Q36.2Very low36.7Very low153 Ų153141.4 Ų141.472%0.71579%0.791SS**  trans103.6115.6169.9-56.6-67.382.900112.7
283N32Very low37.1Very low140 Ų140139.4 Ų139.475%0.74979%0.79SS**  cis-152.9151.418.3-86.3-59.4000111.6
284L38.5Very low36.3Very low164 Ų164142.6 Ų142.686%0.85980%0.802SS**  trans-80.3137.3166.6-76.7144.5000111.4
285S34.9Very low35.7Very low110 Ų110136.5 Ų136.577%0.76979%0.79SS**  trans-174.1107.9143.937.60000106.5
286A31.4Very low35.6Very low85 Ų85136.1 Ų136.170%0.70279%0.787SS**  47107.858.100000108.9
287T30.1Very low35.6Very low118 Ų118139.7 Ų139.772%0.72479%0.79SS**  166.7141.468.9-81.30000109.3
288L31.5Very low35.4Very low149 Ų149139.4 Ų139.478%0.7879%0.789SS**  trans42130.8144.4-59.8164.3000122.8
289Y31Very low34.6Very low228 Ų228141.1 Ų141.189%0.89479%0.786SS**  trans34.2117.3131.4-103.5-97000118.9
290A30.2Very low34.6Very low97 Ų97145.1 Ų145.180%0.80279%0.793SS**  -173.6134.2119.600000110
291G30.2Very low34.3Very low66 Ų66139.9 Ų139.968%0.6878%0.782SS**  trans-70.6-176.8169.200000113.3
292P53.1Low34Very low125 Ų125141.8 Ų141.881%0.81279%0.791SS**  trans-88.8176.1-151.737.4-36.3000113.1
293P48Very low33.8Very low128 Ų128141.6 Ų141.683%0.83180%0.795SS**  -136.9149.512728.3-10.7000114.8
294N33.1Very low33.9Very low170 Ų170142.6 Ų142.691%0.90980%0.799SS**  trans-43150.7167.8-74.3-48.3000114.5
295G27.8Very low33.8Very low64 Ų64140.2 Ų140.266%0.6680%0.796SS**  trans161.6106.7147.700000117.5
296I33.7Very low33.6Very low156 Ų156140.1 Ų140.180%0.880%0.802SS**  trans89.7104132.5-52.6158.8000118.7
297K31.6Very low33.8Very low189 Ų189142 Ų14282%0.82281%0.81SS**  45.5125.4127.9-52.8-177.6179.8-164.70120.4
298Q33.7Very low34Very low175 Ų175141.3 Ų141.382%0.81882%0.816SS**  171109112.8-90.6171.916.200107.6
299E31.7Very low34.5Very low165 Ų165143.4 Ų143.477%0.77182%0.824SS**  71.710388.3-169.4179.916300112.2
300Y34.7Very low34.9Very low230 Ų230137.6 Ų137.690%0.90282%0.823SS**  trans-163.9121.2130.1-110.1-81000107.6
301G30.9Very low35Very low67 Ų67137.8 Ų137.869%0.69183%0.825SS**  trans-80156.9-178.600000113.1
302Q29.7Very low35.2Very low198 Ų198138.9 Ų138.993%0.92583%0.828SS**  trans-154.9113.3142.9-141.8151.816.400109.6
303D32.6Very low34.8Very low149 Ų149143 Ų14380%0.79784%0.836SS**  trans-65.9146.2174.2-60-68.7000111.5
304I34.4Very low34.3Very low161 Ų161141.2 Ų141.283%0.82683%0.832SS**  170.2121.3126.5-80.8151.3000108.4
305S35.3Very low34.5Very low115 Ų115137.8 Ų137.880%0.80483%0.828SS**  trans111.959.4163.6-43.80000117.1
306A30.3Very low35Very low108 Ų108139.4 Ų139.489%0.89383%0.834SS**  trans-85.6110.2149.500000109.3
307S36.6Very low35.1Very low125 Ų125140.4 Ų140.487%0.87484%0.841SS**  trans-163.568.6161.9-163.60000112
308A34.8Very low35.4Very low102 Ų102136 Ų13684%0.84384%0.839SS**SBendtrans-15622.7168.200000114.4
309M41.1Very low35.5Very low194 Ų194133.7 Ų133.796%0.95684%0.843SS**SBendtrans-136.727.3-175.7-127.8-168.1-72.600115.6
310A39.6Very low35.7Very low105 Ų105134.2 Ų134.287%0.86885%0.849SS**  trans-145.152178.100000113.8
311A31.9Very low35.5Very low101 Ų101135.2 Ų135.284%0.83585%0.852SS**SBendtrans-144.5120.8166.200000111.8
312A35.6Very low35.5Very low90 Ų90139.2 Ų139.274%0.74486%0.857SS**  trans87.548.515900000119.4A314A312-A314 PolarHBondContact O-N 3.27Å; A312-A314 VanDerWaalsContact O-N 3.12Å
313Q44.7Very low36.3Very low210 Ų210135 Ų13598%0.98185%0.847SS**  trans-68.871.8135.5-84.2174.2-22.800109.9
314A37.7Very low36.1Very low92 Ų92135.4 Ų135.476%0.7684%0.844SS**  trans-152.721.7-179.300000115A312A312-A314 PolarHBondContact O-N 3.27Å; A312-A314 VanDerWaalsContact O-N 3.12Å
315A35.9Very low35.9Very low98 Ų98134.4 Ų134.481%0.8184%0.836SS**SBendtrans-120.210.9-177.800000114.7
316A38Very low35.6Very low97 Ų97135.8 Ų135.880%0.80283%0.83SS**SBendtrans-106.810.5-169.400000115.8
317L37.5Very low35.6Very low178 Ų178137.3 Ų137.393%0.93282%0.818SS**SBendtrans-133.217.1-174.7-75.6173.7000115.8
318A36.3Very low35.3Very low96 Ų96137.8 Ų137.879%0.79381%0.807SS**  trans-117.519.6-171.400000116.7
319S36.6Very low35.1Very low127 Ų127139.9 Ų139.989%0.88880%0.799SS**  trans-117.121.4176.9-69.90000115.7
320L36.3Very low34.6Very low175 Ų175136.8 Ų136.892%0.91679%0.787SS**  trans-11179.1169.7-85.5161.8000111
321R30Very low34.2Very low251 Ų251137.8 Ų137.895%0.94778%0.777SS**  trans-165.6108.8153.9-142.7157.3175.2161.1-2.9112.9
322N31.1Very low34.3Very low152 Ų152137.2 Ų137.281%0.81377%0.767SS**  trans-67.3172.2163.3-110.74.1000111
323P46.7Very low34Very low110 Ų110141.2 Ų141.271%0.71477%0.77SS**  cis-147.8-179.328.939.4-16.9000119
324Q27Very low33.5Very low157 Ų157139 Ų13973%0.73476%0.762SS**  trans101.8122.2139.5-101.1-167.5-29.900123.6
325Q30Very low33Very low140 Ų140141 Ų14165%0.65476%0.764SS**  trans74.1133.7148.8-62.8-176.520.700117.8
326Q30Very low33Very low143 Ų143143.5 Ų143.567%0.66876%0.763SS**  cis-167.8143.416-137.1165.80.300110
327Q29.6Very low32.6Very low140 Ų140144.5 Ų144.565%0.65476%0.764SS**  trans53.4140.9146.8-78.1171.4-4900119.4
328Q32Very low32.5Very low136 Ų136143.8 Ų143.864%0.63676%0.76SS**  cis179.5151.715.7-120.7159.8-3.400102.6
329Q30.3Very low32.6Very low146 Ų146146.9 Ų146.968%0.68276%0.758SS**  cis-174.9134.521.3-145.9160.1-4.100106.8
330D30.3Very low33.1Very low129 Ų129146.3 Ų146.369%0.6975%0.751SS**  trans44.9141.8137.5-68.9-49.9000121.9
331D30.5Very low32.9Very low125 Ų125145.5 Ų145.567%0.66874%0.743SS**  cis-169.7146.220.7-129.4-42.7000111
332S33.4Very low33.3Very low89 Ų89140 Ų14062%0.62273%0.731SS**  trans54143.4136-66.90000122
333E30.9Very low33.2Very low174 Ų174138.7 Ų138.781%0.81373%0.728SS**  cis-177.4170.57.6-115.3178.7160.200109.6
334M32.5Very low32.4Very low165 Ų165139.8 Ų139.881%0.81373%0.727SS**  trans90.191.9167.2-54.5-134.7-6700116.3
335V29Very low32.4Very low132 Ų132140 Ų14080%0.873%0.728SS**  5110859.9-176.20000112.8
336I34.1Very low32.5Very low152 Ų152140 Ų14078%0.77974%0.738SS**  -160.7106.6125.8-86.5145.9000106.5
337S29.8Very low32.3Very low117 Ų117136.7 Ų136.782%0.81874%0.742SS**  trans-96.9136.1154.3-69.70000106.7
338L35.5Very low32.9Very low163 Ų163136 Ų13685%0.85375%0.75SS**  trans-153.799157.2-97.1154.6000108.1
339E38.5Very low32.8Very low162 Ų162136.6 Ų136.676%0.75776%0.757SS**  trans-79.2155.2152.4-103.8-86.8150.400108.4E341E339-E341 PolarHBondContact OE2-N 3.1Å
340P47.9Very low32.8Very low115 Ų115136.1 Ų136.175%0.74776%0.764SS**  -144.2125.8115.432.4-15.4000114.8
341E32.3Very low32.9Very low157 Ų157136.9 Ų136.973%0.73477%0.768SS**  27.7136110.7-133.2-172.8144.300115.5E339E339-E341 PolarHBondContact OE2-N 3.1Å
342I36.9Very low33.1Very low137 Ų137136 Ų13670%0.70377%0.77SS**  -172.5153.552-38.2175.6000111.6
343V29.7Very low33.1Very low123 Ų123135.7 Ų135.775%0.74577%0.772SS**  trans106.6123.9145.4-159.50000122
344L30.9Very low34Very low134 Ų134136.7 Ų136.770%0.70278%0.777SS**  trans-49163.5170.9-56.496.8000115.6
345Q27.1Very low34.7Very low160 Ų160133 Ų13375%0.74877%0.765SS**  cis-179136.947.7-140.1127.727.800108.6
346T30.9Very low35.8Very low141 Ų141131.2 Ų131.287%0.86576%0.757SS**  169.9134.2110.339.30000109
347G26.8Very low36.5Very low74 Ų74129.1 Ų129.176%0.76375%0.753SS**  trans-90.4-162.717700000113.4
348P42.1Very low37.6Very low124 Ų124131.4 Ų131.481%0.80575%0.75SS**  cis-125.5168.8-5.838.9-22.1000114.5
349D29.9Very low38.3Very low149 Ų149130.5 Ų130.580%0.79774%0.742SS**  trans41.196145.9-159.321.7000119.5
350V29.2Very low38.8Very low136 Ų136130.7 Ų130.782%0.82474%0.743SS**  trans-146.4106.7141-83.80000109.8P352V350-P352 WeakPolarHBondContact O-CD 3.26Å
351N32Very low38.9Very low145 Ų145132.1 Ų132.178%0.77574%0.739SS**  trans-66.4127.7159.3-159.6-30.4000108.5A353N351-A353 PolarHBondContact OD1-N 3.41Å; N351-A353 VanDerWaalsContact OD1-N 3.09Å
352P35.5Very low39.8Very low108 Ų108131.3 Ų131.370%0.70174%0.739SS**  -135121.7124.733.6-20.9000111.4V350V350-P352 WeakPolarHBondContact O-CD 3.26Å
353A33.2Very low40.6Very low82 Ų82132.9 Ų132.968%0.67874%0.741SS**  trans50.688.2139.600000116.7N351N351-A353 PolarHBondContact OD1-N 3.41Å; N351-A353 VanDerWaalsContact OD1-N 3.09Å
354Q49.3Very low41.8Very low194 Ų194130.9 Ų130.991%0.90773%0.733SS**  trans-78.8143.3152.2-73.1-163.2-4500110.3
355P48.6Very low43.1Very low88 Ų88127.2 Ų127.257%0.57172%0.722SS**  trans-113.8145.3136.317.4-2.2000111.9
356P51Low44.3Very low95 Ų95125.6 Ų125.662%0.61771%0.714SS**  trans-68.9162.8-175.828-35.3000113.8Q358P356-Q358 PolarHBondContact O-N 2.96Å
357P49.2Very low45.8Very low108 Ų108123.9 Ų123.970%0.70170%0.696SS**THydrogen-bonded Turntrans-64.22.4-168.423.1-33.8000117.4Q359 H361P357-Q359 PolarHBondContact O-N 3.41Å; P357-H361 PolarHBondContact O-CD2 2.88Å
358Q52.1Low47.4Very low164 Ų164126.4 Ų126.477%0.76669%0.688SS**Hα-helixtrans-75.4-21178.9-67.4-122.913.800113.9P356P356-Q358 PolarHBondContact O-N 2.96Å
359Q51Low48.8Very low145 Ų145126.5 Ų126.568%0.67868%0.677SS**Hα-helixtrans-78.7-26.1-175.6-138.1-170.88400113.7P357P357-Q359 PolarHBondContact O-N 3.41Å
360Q49.4Very low50.7Low165 Ų165125.7 Ų125.777%0.77167%0.669SS**Hα-helixtrans-71.9-35.1173.6-89.4-166.89.600112.9S364Q360-S364 WeakPolarHBondContact O-CB 3.47Å; Q360-S364 PolarHBondContact O-N 3.36Å; Q360-S364 VanDerWaalsContact O-N 3.11Å
361H49.3Very low52.4Low146 Ų146123.8 Ų123.868%0.67665%0.651SS**Hα-helixtrans-70.7-36.1-178.1-76.8-76.3000113P357 A365P357-H361 PolarHBondContact O-CD2 2.88Å; H361-A365 WeakPolarHBondContact O-CB 3.48Å; H361-A365 PolarHBondContact O-N 3.42Å
362L52.3Low54.4Low140 Ų140122.7 Ų122.773%0.73364%0.641SS**Hα-helixtrans-73.5-35.2179-142.673.1000112.4H366L362-H366 PolarHBondContact O-N 2.97Å; L362-H366 VanDerWaalsContact O-N 3.08Å
363F54Low55.8Low170 Ų170123.9 Ų123.975%0.74664%0.637SS**Hα-helixtrans-69.6-37175.4-161.1-100.9000112H366 Q367F363-H366 PolarHBondContact O-N 2.94Å; F363-Q367 PolarHBondContact O-N 2.88Å
364S53.5Low57.7Low81 Ų81126.3 Ų126.357%0.56664%0.635SS**Hα-helixtrans-69.5-37.1175.3-158.10000112.5Q360 Q367 H368Q360-S364 WeakPolarHBondContact O-CB 3.47Å; Q360-S364 PolarHBondContact O-N 3.36Å; Q360-S364 VanDerWaalsContact O-N 3.11Å; S364-Q367 PolarHBondContact O-N 2.69Å; S364-H368 PolarHBondContact O-N 3.32Å
365A58.8Low58.3Low57 Ų57123.2 Ų123.247%0.47162%0.62SS.*Hα-helixtrans-66.3-38.6173.500000113H361 Q367 H368 Q369H361-A365 WeakPolarHBondContact O-CB 3.48Å; H361-A365 PolarHBondContact O-N 3.42Å; A365-Q367 VanDerWaalsContact C-N 3.3Å; A365-Q367 PolarHBondContact O-N 3.39Å; A365-H368 PolarHBondContact O-N 2.93Å; A365-Q369 PolarHBondContact O-N 3.46Å
366H52.4Low59.4Low125 Ų125125.4 Ų125.458%0.57962%0.623SS**Hα-helixtrans-66.1-32.6176.1-150.873.4000112L362 F363 Q370L362-H366 PolarHBondContact O-N 2.97Å; L362-H366 VanDerWaalsContact O-N 3.08Å; F363-H366 PolarHBondContact O-N 2.94Å; H366-Q370 PolarHBondContact O-N 3.11Å; H366-Q370 VanDerWaalsContact O-N 3.17Å
367Q62.4Low60Low106 Ų106127.4 Ų127.450%0.49562%0.624SS.*Hα-helixtrans-72.5-36.9173.4-135.4-131.2100.600112.5F363 S364 A365 Q369 Q370 Q371F363-Q367 PolarHBondContact O-N 2.88Å; S364-Q367 PolarHBondContact O-N 2.69Å; A365-Q367 VanDerWaalsContact C-N 3.3Å; A365-Q367 PolarHBondContact O-N 3.39Å; Q367-Q369 VanDerWaalsContact C-N 3.34Å; Q367-Q369 PolarHBondContact O-N 3.08Å; Q367-Q370 PolarHBondContact O-N 2.81Å; Q367-Q371 PolarHBondContact O-N 2.75Å; Q367-Q371 VanDerWaalsContact O-N 3.07Å
368H59.6Low61Low126 Ų126129.4 Ų129.458%0.58362%0.624SS**Hα-helixtrans-65-35.9175.1-143.480.5000112.2S364 A365 Q372S364-H368 PolarHBondContact O-N 3.32Å; A365-H368 PolarHBondContact O-N 2.93Å; H368-Q372 PolarHBondContact O-N 2.96Å
369Q71.6Confident61.7Low126 Ų126128 Ų12859%0.58962%0.618SS**Hα-helixtrans-70.4-38.4174.6-168.9178.473.200112.1A365 Q367 Q371 Q372 Q373A365-Q369 PolarHBondContact O-N 3.46Å; Q367-Q369 VanDerWaalsContact C-N 3.34Å; Q367-Q369 PolarHBondContact O-N 3.08Å; Q369-Q371 PolarHBondContact O-N 3.37Å; Q369-Q372 PolarHBondContact O-N 3.06Å; Q369-Q373 PolarHBondContact O-N 3.29Å; Q369-Q373 VanDerWaalsContact O-N 3.11Å
370Q69.4Low62.5Low133 Ų133127.1 Ų127.162%0.62161%0.613SS**Hα-helixtrans-66-36.5177.7-164.8178.483.500112.2H366 Q367 Q374H366-Q370 PolarHBondContact O-N 3.11Å; H366-Q370 VanDerWaalsContact O-N 3.17Å; Q367-Q370 PolarHBondContact O-N 2.81Å; Q370-Q374 PolarHBondContact O-N 3.47Å
371Q66.4Low63.6Low96 Ų96124.7 Ų124.745%0.44960%0.602SS.*Hα-helixtrans-70.5-34.5175.8-161.2174.85100112.2Q367 Q369 Q374 Q375Q367-Q371 PolarHBondContact O-N 2.75Å; Q367-Q371 VanDerWaalsContact O-N 3.07Å; Q369-Q371 PolarHBondContact O-N 3.37Å; Q371-Q374 PolarHBondContact O-N 3.3Å; Q371-Q375 PolarHBondContact O-N 3.26Å; Q371-Q375 VanDerWaalsContact O-N 3.14Å
372Q72.6Confident64.3Low122 Ų122123 Ų12357%0.5760%0.597SS**Hα-helixtrans-71.1-35.4178.7-153.2178.784.800112.5H368 Q369 Q374 Q375 Q376H368-Q372 PolarHBondContact O-N 2.96Å; Q369-Q372 PolarHBondContact O-N 3.06Å; Q372-Q374 VanDerWaalsContact C-N 3.32Å; Q372-Q375 PolarHBondContact O-N 3Å; Q372-Q376 PolarHBondContact O-N 2.86Å
373Q66.1Low65.2Low132 Ų132121.7 Ų121.762%0.61759%0.587SS**Hα-helixtrans-71-29.1175.2-153.6179.686.900112.1Q369 Q376 Q377Q369-Q373 PolarHBondContact O-N 3.29Å; Q369-Q373 VanDerWaalsContact O-N 3.11Å; Q373-Q376 PolarHBondContact O-N 3.43Å; Q373-Q377 PolarHBondContact O-N 3.5Å; Q373-Q377 VanDerWaalsContact O-N 3.13Å
374Q72.1Confident65.6Low134 Ų134118.9 Ų118.963%0.62658%0.576SS**Hα-helixtrans-72-34.7173.9-152175.586.700112Q370 Q371 Q372 Q376 Q377 Q378Q370-Q374 PolarHBondContact O-N 3.47Å; Q371-Q374 PolarHBondContact O-N 3.3Å; Q372-Q374 VanDerWaalsContact C-N 3.32Å; Q374-Q376 VanDerWaalsContact C-N 3.33Å; Q374-Q376 PolarHBondContact O-N 2.82Å; Q374-Q377 PolarHBondContact O-N 2.86Å; Q374-Q378 PolarHBondContact O-N 3.43Å; Q374-Q378 VanDerWaalsContact O-N 3.07Å
375Q62.5Low66.3Low129 Ų129120.2 Ų120.260%0.60357%0.574SS**Hα-helixtrans-67.3-31.6172.2-157.5-178.38100112.3Q371 Q372 Q378 Q379Q371-Q375 PolarHBondContact O-N 3.26Å; Q371-Q375 VanDerWaalsContact O-N 3.14Å; Q372-Q375 PolarHBondContact O-N 3Å; Q375-Q378 PolarHBondContact O-N 2.98Å; Q375-Q379 PolarHBondContact O-N 2.82Å
376Q72.7Confident66.3Low134 Ų134123.9 Ų123.963%0.62658%0.581SS**Hα-helixtrans-68.5-41.4171.3-91.8-169.753.500112.9Q372 Q373 Q374 Q378 Q379 H380Q372-Q376 PolarHBondContact O-N 2.86Å; Q373-Q376 PolarHBondContact O-N 3.43Å; Q374-Q376 VanDerWaalsContact C-N 3.33Å; Q374-Q376 PolarHBondContact O-N 2.82Å; Q376-Q378 VanDerWaalsContact C-N 3.27Å; Q376-Q378 PolarHBondContact O-N 2.98Å; Q376-Q379 PolarHBondContact O-N 2.6Å; Q376-H380 WeakPolarHBondContact O-CB 3.32Å; Q376-H380 PolarHBondContact O-N 2.94Å
377Q63.3Low66.6Low137 Ų137123.7 Ų123.764%0.6458%0.58SS**Hα-helixtrans-60.9-37.5173.1-87.7-170.753.400112Q373 Q374 H380 H381Q373-Q377 PolarHBondContact O-N 3.5Å; Q373-Q377 VanDerWaalsContact O-N 3.13Å; Q374-Q377 PolarHBondContact O-N 2.86Å; Q377-H380 PolarHBondContact O-N 2.93Å; Q377-H381 WeakPolarHBondContact O-CB 3.36Å; Q377-H381 PolarHBondContact O-N 3.32Å
378Q70.4Confident66.4Low150 Ų150122.1 Ų122.170%0.70158%0.58SS**Hα-helixtrans-68.5-40.8178.1-136-17490.600112.1Q374 Q375 Q376 H381 L382Q374-Q378 PolarHBondContact O-N 3.43Å; Q374-Q378 VanDerWaalsContact O-N 3.07Å; Q375-Q378 PolarHBondContact O-N 2.98Å; Q376-Q378 VanDerWaalsContact C-N 3.27Å; Q376-Q378 PolarHBondContact O-N 2.98Å; Q378-H381 PolarHBondContact O-N 3.22Å; Q378-L382 PolarHBondContact O-N 2.77Å
379Q66.1Low66.3Low135 Ų135119.5 Ų119.563%0.63157%0.57SS**Hα-helixtrans-65.4-39.1173.3-85.1-160.666.800112.9Q375 Q376 H381 L382 Q383Q375-Q379 PolarHBondContact O-N 2.82Å; Q376-Q379 PolarHBondContact O-N 2.6Å; Q379-H381 VanDerWaalsContact C-N 3.31Å; Q379-H381 PolarHBondContact O-N 3.34Å; Q379-L382 PolarHBondContact O-N 2.83Å; Q379-Q383 WeakPolarHBondContact O-CB 3.42Å; Q379-Q383 PolarHBondContact O-N 3.03Å
380H68.8Low65.3Low126 Ų126119.4 Ų119.458%0.58357%0.571SS**Hα-helixtrans-70-31.4179.4-153.8-63.7000111.9Q376 Q377 Q384Q376-H380 WeakPolarHBondContact O-CB 3.32Å; Q376-H380 PolarHBondContact O-N 2.94Å; Q377-H380 PolarHBondContact O-N 2.93Å; H380-Q384 WeakPolarHBondContact O-CB 3.19Å; H380-Q384 PolarHBondContact O-N 3.03Å
381H71.6Confident64.4Low114 Ų114121.7 Ų121.753%0.52858%0.579SS.*Hα-helixtrans-72-39.8173.3-15971.4000111.9Q377 Q378 Q379 Q383 Q384 Q385Q377-H381 WeakPolarHBondContact O-CB 3.36Å; Q377-H381 PolarHBondContact O-N 3.32Å; Q378-H381 PolarHBondContact O-N 3.22Å; Q379-H381 VanDerWaalsContact C-N 3.31Å; Q379-H381 PolarHBondContact O-N 3.34Å; H381-Q383 VanDerWaalsContact C-N 3.32Å; H381-Q383 PolarHBondContact O-N 2.96Å; H381-Q384 PolarHBondContact O-N 3.09Å; H381-Q385 PolarHBondContact O-N 2.9Å
382L64.5Low63.8Low109 Ų109124 Ų12457%0.57159%0.59SS**Hα-helixtrans-64.2-39174.6-154.176000111.4Q378 Q379 Q385 Q386Q378-L382 PolarHBondContact O-N 2.77Å; Q379-L382 PolarHBondContact O-N 2.83Å; L382-Q385 PolarHBondContact O-N 3.06Å; L382-Q386 WeakPolarHBondContact O-CG 3.43Å; L382-Q386 PolarHBondContact O-N 3.07Å
383Q70.9Confident62.7Low114 Ų114124.6 Ų124.653%0.53359%0.593SS.*Hα-helixtrans-66.3-41.7174.1-170.3170.582.700111.7Q379 H381 Q385 Q386 H387Q379-Q383 WeakPolarHBondContact O-CB 3.42Å; Q379-Q383 PolarHBondContact O-N 3.03Å; H381-Q383 VanDerWaalsContact C-N 3.32Å; H381-Q383 PolarHBondContact O-N 2.96Å; Q383-Q385 VanDerWaalsContact C-N 3.29Å; Q383-Q385 PolarHBondContact O-N 3.48Å; Q383-Q386 PolarHBondContact O-N 3.34Å; Q383-H387 PolarHBondContact O-CD2 3.47Å; Q383-H387 PolarHBondContact O-N 3.38Å
384Q62.5Low61.7Low111 Ų111126 Ų12652%0.51960%0.601SS.*Hα-helixtrans-60.6-39.5173.5-171.1-175.39100111.5H380 H381 H387 C388H380-Q384 WeakPolarHBondContact O-CB 3.19Å; H380-Q384 PolarHBondContact O-N 3.03Å; H381-Q384 PolarHBondContact O-N 3.09Å; Q384-H387 PolarHBondContact O-N 3.35Å; Q384-C388 PolarHBondContact O-N 3.15Å; Q384-C388 PolarHBondContact O-SG 3.22Å; Q384-C388 VanDerWaalsContact O-SG 3.37Å
385Q66.8Low60.6Low109 Ų109123.2 Ų123.251%0.50960%0.601SS.*Hα-helixtrans-67-37.2176.9-152-173.776.200112H381 L382 Q383 H387 C388 N389H381-Q385 PolarHBondContact O-N 2.9Å; L382-Q385 PolarHBondContact O-N 3.06Å; Q383-Q385 VanDerWaalsContact C-N 3.29Å; Q383-Q385 PolarHBondContact O-N 3.48Å; Q385-H387 VanDerWaalsContact C-N 3.33Å; Q385-H387 PolarHBondContact O-N 3.44Å; Q385-C388 PolarHBondContact O-N 3.43Å; Q385-N389 WeakPolarHBondContact O-CB 3.23Å; Q385-N389 PolarHBondContact O-N 3.22Å
386Q60.5Low59.9Low134 Ų134123.3 Ų123.363%0.62661%0.613SS**Hα-helixtrans-65.2-35172.5-63.7-127-24.700112.6L382 Q383 M390L382-Q386 WeakPolarHBondContact O-CG 3.43Å; L382-Q386 PolarHBondContact O-N 3.07Å; Q383-Q386 PolarHBondContact O-N 3.34Å; Q386-M390 PolarHBondContact O-N 2.72Å
387H58.4Low58.3Low121 Ų121126.4 Ų126.456%0.5663%0.627SS**Hα-helixtrans-69.5-39.9173.6-80.1-119.9000112.2Q383 Q384 Q385 M390 F391Q383-H387 PolarHBondContact O-CD2 3.47Å; Q383-H387 PolarHBondContact O-N 3.38Å; Q384-H387 PolarHBondContact O-N 3.35Å; Q385-H387 VanDerWaalsContact C-N 3.33Å; Q385-H387 PolarHBondContact O-N 3.44Å; H387-M390 PolarHBondContact O-N 3.47Å; H387-F391 PolarHBondContact O-N 3.08Å; H387-F391 VanDerWaalsContact O-N 3.14Å
388C58.2Low57.4Low72 Ų72124.5 Ų124.549%0.48664%0.635SS.*Hα-helixtrans-66.9-37.2173.9-67.70000112.2Q384 Q385 F391 Q392Q384-C388 PolarHBondContact O-N 3.15Å; Q384-C388 PolarHBondContact O-SG 3.22Å; Q384-C388 VanDerWaalsContact O-SG 3.37Å; Q385-C388 PolarHBondContact O-N 3.43Å; C388-F391 PolarHBondContact O-N 3.25Å; C388-Q392 PolarHBondContact O-N 3.14Å
389N56Low56.1Low71 Ų71125.6 Ų125.638%0.3864%0.64SS.*Hα-helixtrans-63.2-48.9173.7-95.9-11.6000111Q385 F391 Q392 H393Q385-N389 WeakPolarHBondContact O-CB 3.23Å; Q385-N389 PolarHBondContact O-N 3.22Å; N389-F391 PolarHBondContact O-N 3Å; N389-Q392 PolarHBondContact O-N 3.38Å; N389-H393 VanDerWaalsContact C-NE2 3.33Å; N389-H393 PolarHBondContact O-CD2 3.37Å; N389-H393 PolarHBondContact O-CE1 3.03Å; N389-H393 PolarHBondContact O-N 2.9Å; N389-H393 VanDerWaalsContact O-N 3.09Å; N389-H393 PolarHBondContact O-ND1 3.48Å; N389-H393 PolarHBondContact O-NE2 3.32Å
390M51.1Low55Low125 Ų125125.1 Ų125.162%0.61664%0.639SS**Hα-helixtrans-59.1-31175.6-78.9-149.5-57.100113.9Q386 H387 H393 M394Q386-M390 PolarHBondContact O-N 2.72Å; H387-M390 PolarHBondContact O-N 3.47Å; M390-H393 PolarHBondContact O-N 2.88Å; M390-M394 PolarHBondContact O-N 3.11Å
391F51.3Low53.8Low180 Ų180126.7 Ų126.779%0.78965%0.647SS**Hα-helixtrans-75-25.3177.6-144.4-95.4000113H387 C388 N389H387-F391 PolarHBondContact O-N 3.08Å; H387-F391 VanDerWaalsContact O-N 3.14Å; C388-F391 PolarHBondContact O-N 3.25Å; N389-F391 PolarHBondContact O-N 3Å
392Q52.8Low52.2Low144 Ų144129.7 Ų129.767%0.67366%0.661SS**Hα-helixtrans-76.1-29.1168.3-70.5-164.995.300112.6C388 N389 M394C388-Q392 PolarHBondContact O-N 3.14Å; N389-Q392 PolarHBondContact O-N 3.38Å; Q392-M394 VanDerWaalsContact C-N 3.26Å; Q392-M394 PolarHBondContact O-N 3.32Å
393H49.9Very low50.9Low136 Ų136133.7 Ų133.763%0.6368%0.679SS**THydrogen-bonded Turntrans-81.82.3179.2-46.1-38.5000114.3N389 M390N389-H393 VanDerWaalsContact C-NE2 3.33Å; N389-H393 PolarHBondContact O-CD2 3.37Å; N389-H393 PolarHBondContact O-CE1 3.03Å; N389-H393 PolarHBondContact O-N 2.9Å; N389-H393 VanDerWaalsContact O-N 3.09Å; N389-H393 PolarHBondContact O-ND1 3.48Å; N389-H393 PolarHBondContact O-NE2 3.32Å; M390-H393 PolarHBondContact O-N 2.88Å
394M46Very low49.5Very low160 Ų160139.9 Ų139.979%0.78870%0.697SS**THydrogen-bonded Turntrans-1076.3175.3-76.3-76.2-65.100113.1M390 Q392M390-M394 PolarHBondContact O-N 3.11Å; Q392-M394 VanDerWaalsContact C-N 3.26Å; Q392-M394 PolarHBondContact O-N 3.32Å
395A48.3Very low48.3Very low76 Ų76139.8 Ų139.863%0.62871%0.709SS**SBendtrans-78.4121.8167.600000109.1Q397A395-Q397 PolarHBondContact O-N 3.06Å
396P48Very low47.4Very low131 Ų131142.4 Ų142.485%0.85173%0.725SS**  trans-80.9114.8-178.830.5-29.2000109.9
397Q38.3Very low47.2Very low200 Ų200141.3 Ų141.394%0.93573%0.73SS**  trans-128.4101.2156.2-147.5-176.57.500108.6A395A395-Q397 PolarHBondContact O-N 3.06Å
398A46.1Very low47.2Very low97 Ų97141.1 Ų141.180%0.80274%0.739SS**  trans-86.8127.9179.300000110.3
399H43.1Very low47.2Very low172 Ų172143.2 Ų143.280%0.79675%0.752SS**  trans-153116150.5-147.464.6000112.3
400M41.4Very low47.3Very low126 Ų126145.3 Ų145.362%0.62177%0.77SS**  trans54.4111.8144.9-60.4-75-82.400119.6
401Q44.3Very low47.7Very low159 Ų159145 Ų14574%0.74378%0.777SS**  60.9103.976.8-66.1-83-24.400112.7
402H37.7Very low48Very low177 Ų177141.8 Ų141.882%0.81977%0.774SS**  trans-176.694.2142.1-74.3-38.6000110.3
403M37.9Very low48Very low192 Ų192140.6 Ų140.695%0.94678%0.779SS**  trans-131.9104.2150.5-76.6-64.6-85.600107
404R40.8Very low47.8Very low245 Ų245140 Ų14093%0.92579%0.79SS**PPolyproline II helixtrans-76.9133.8-178.6-170.8144.5158.9-175.2-7.2108.9
405S38.1Very low47.6Very low109 Ų109140.2 Ų140.276%0.76279%0.793SS**PPolyproline II helixtrans-60.3129.5177.547.20000112.5
406L48.4Very low47.2Very low164 Ų164142.9 Ų142.986%0.85980%0.802SS**PPolyproline II helixtrans-73.3144.4162.4-80.5149.8000109.8
407P55.4Low46.9Very low111 Ų111144.4 Ų144.472%0.72180%0.802SS**PPolyproline II helixtrans-70.1148.8173.429.3-32.2000110.9
408P57.4Low47.6Very low117 Ų117140 Ų14076%0.7679%0.791SS**PPolyproline II helixtrans-73.4149.9179.430.3-33.2000111.7
409P59.3Low47.8Very low115 Ų115141.3 Ų141.375%0.74779%0.791SS**PPolyproline II helixtrans-70.3156.8174.829.5-33.9000112.2
410P58.3Low47.9Very low116 Ų116140.9 Ų140.975%0.75379%0.794SS**PPolyproline II helixtrans-66.9152.6-179.127.9-34.6000112.6
411P58.5Low48.8Very low118 Ų118140.4 Ų140.477%0.76680%0.8SS**PPolyproline II helixtrans-71.9146-179.829.6-34000112.1
412P58.9Low49.5Very low113 Ų113138.2 Ų138.273%0.73480%0.8SS**PPolyproline II helixtrans-69.7153174.529.1-33.8000111.8
413P52Low50.2Low118 Ų118135.8 Ų135.877%0.76680%0.799SS**PPolyproline II helixtrans-63.5140.1-178.925.9-33.3000112L415P413-L415 PolarHBondContact O-N 3.12Å; P413-L415 VanDerWaalsContact O-N 3.14Å
414S45Very low50.9Low123 Ų123132.4 Ų132.486%0.8679%0.792SS**  trans-59.2111.4177.2-530000110.9
415L43.3Very low51Low166 Ų166126.3 Ų126.387%0.86978%0.784SS**  trans-100.3120.8164.3-68.9178000109.1P413P413-L415 PolarHBondContact O-N 3.12Å; P413-L415 VanDerWaalsContact O-N 3.14Å
416T38.3Very low51Low131 Ų131127.6 Ų127.680%0.80479%0.787SS**  trans-41130.5179.2-32.30000114
417L42.2Very low50.4Low163 Ų163126.5 Ų126.585%0.85379%0.788SS**PPolyproline II helixtrans-62.7132.5167-78.6155.9000111.2
418P54.2Low49.6Very low108 Ų108129.8 Ų129.870%0.70179%0.793SS**PPolyproline II helixtrans-88.2156.8150.417.2-2.4000111.4
419P49.7Very low48.5Very low125 Ų125131.9 Ų131.981%0.81279%0.793SS**PPolyproline II helixtrans-80.4150.3-161.17.28.4000113.7
420L45.5Very low47.5Very low163 Ų163134.3 Ų134.385%0.85379%0.794SS**PPolyproline II helixtrans-62.6137.4167.9-102.284.8000111.3
421P59.6Low46.3Very low115 Ų115136.8 Ų136.875%0.74780%0.796SS**PPolyproline II helixtrans-75.3146.2163.329.2-30.8000111.8
422P58.5Low45.2Very low114 Ų114140.5 Ų140.574%0.7480%0.803SS**PPolyproline II helixtrans-76.2156.4-174.430.6-35.3000113.6
423P54Low44.2Very low125 Ų125143.1 Ų143.181%0.81281%0.805SS**PPolyproline II helixtrans-77.8136.9177.430.8-33.1000112.3
424P52.5Low43.6Very low122 Ų122143.6 Ų143.679%0.79281%0.809SS**PPolyproline II helixtrans-80.8156.7169.230.2-31.3000112.8
425P41.8Very low43.4Very low117 Ų117142.3 Ų142.376%0.7681%0.805SS**PPolyproline II helixtrans-83.8158.3-156.432.9-36.1000115.4
426T38.7Very low43.3Very low135 Ų135140.1 Ų140.183%0.82880%0.801SS**PPolyproline II helixtrans-54.1126.8166.934.80000113.4
427T34.8Very low43.5Very low141 Ų141139.8 Ų139.887%0.86580%0.801SS**  trans-119.6114.6159.3-2.60000109.9
428H38.1Very low43.2Very low180 Ų180141 Ų14183%0.83380%0.802SS**  trans-69.7135.7160.9-78.6-79000110.1
429Q36.1Very low42.4Very low162 Ų162144.5 Ų144.576%0.75781%0.809SS**  trans-166.598.1151.2-99.2-11084.700106.9
430Q36.6Very low41.9Very low165 Ų165147 Ų14777%0.77182%0.815SS**  68.18793-154.1178.395.900110.5
431Q34Very low41.6Very low168 Ų168146.8 Ų146.879%0.78581%0.809SS**  559987.3-160.5173.16800113.4
432Q35.8Very low40.6Very low197 Ų197149 Ų14992%0.92181%0.809SS**  trans-131.8115.4155.6-86.9177.15.600109.4
433Q38.2Very low39.7Very low167 Ų167148.1 Ų148.178%0.7881%0.812SS**PPolyproline II helixtrans-83.6153165.5-70.2174.6-20.800109.4
434P38.4Very low39.7Very low129 Ų129148 Ų14884%0.83881%0.811SS**PPolyproline II helixtrans-84.3136163.110.55.3000111.6
435A41.4Very low39Very low95 Ų95154.8 Ų154.879%0.78583%0.832SS**PPolyproline II helixtrans-80.1156.6179.300000113.7
436P41.2Very low38.8Very low121 Ų121156.7 Ų156.779%0.78684%0.836SS**PPolyproline II helixtrans-91.6168.2168.237.5-31.3000112.1
437P43.3Very low38.8Very low123 Ų123157.8 Ų157.880%0.79984%0.836SS**PPolyproline II helixtrans-90.9144.6-165.735-31.3000112.6
438Q35.5Very low39.1Very low189 Ų189158.8 Ų158.888%0.88384%0.835SS**  trans-143.4128.3157.5-77.2-151.71.900113.8
439Q37.5Very low39.1Very low181 Ų181157.5 Ų157.585%0.84684%0.835SS**  trans12.8126147.5-57.3-162.624.400120.4
440L38.7Very low39.3Very low177 Ų177157.3 Ų157.393%0.92784%0.84SS**  trans-88.1126.8162.5-104.8125000109.9
441Q38.7Very low39.5Very low159 Ų159156.7 Ų156.774%0.74384%0.844SS**  trans-150.9129.5154.1-115.9-172.146.700111.7
442H39.8Very low39.9Very low161 Ų161155.9 Ų155.975%0.74585%0.849SS**  trans80.7112.4159.2-62.486.4000119.9
443A39.4Very low40.2Very low96 Ų96152.8 Ų152.879%0.79384%0.843SS**  trans-97.8152.1156.100000109.5
444P53.5Low40.4Very low122 Ų122151.6 Ų151.679%0.79285%0.848SS**  trans-107.6135.7167.635.5-24.7000112.3
445Q36.9Very low40.5Very low266 Ų266153.6 Ų153.6100%1.24385%0.849SS**  trans158.40139.5-85.2-88.72.200108.5

Retrieved 445 of 445 residues in 159.7 ms (Link to these results)