A0A5K4F4N8_SCHMA Loading...

Mediator of RNA polymerase II transcription subunit 7

AlphaFold DB , UniProt , Accession A0A5K4F4N8, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 127 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
1M39.5Very low39.3Very low249 Ų249134 Ų134100%1.22774%0.736SS**  0107.80-73.6172.1173.500107.2S3M1-S3 PolarHBondContact O-N 3.08Å
2A37.4Very low41Very low105 Ų105128.4 Ų128.487%0.86871%0.714SS**  trans-76.7104.4172.800000107.7
3S37Very low42.3Very low118 Ų118126.8 Ų126.883%0.82570%0.695SS**  trans-84.6111.1162.8-173.60000106.7M1 G5M1-S3 PolarHBondContact O-N 3.08Å; S3-G5 PolarHBondContact O-N 3.36Å
4Q35.4Very low44Very low176 Ų176118.1 Ų118.182%0.82265%0.648SS**  trans-63.398.8172.1-63.8-169-5.200108.3S6Q4-S6 PolarHBondContact O-N 2.59Å
5G34.9Very low45.5Very low57 Ų57111.3 Ų111.359%0.58861%0.61SS**  trans-73.1101.6159.600000106.9S3 Y7S3-G5 PolarHBondContact O-N 3.36Å; G5-Y7 VanDerWaalsContact C-N 3.31Å; G5-Y7 PolarHBondContact O-N 3.49Å
6S36.5Very low46.8Very low81 Ų81107.9 Ų107.957%0.56659%0.588SS**  trans-55102.1163-64.30000107.2Q4 Y8Q4-S6 PolarHBondContact O-N 2.59Å; S6-Y8 VanDerWaalsContact CB-CE2 3.49Å; S6-Y8 WeakPolarHBondContact O-CD2 3.18Å; S6-Y8 PolarHBondContact O-N 3.12Å
7Y38.6Very low47.9Very low210 Ų210102.3 Ų102.382%0.82456%0.559SS**  trans-66.487.4161.5-78.8-92.7000105.7G5 N9G5-Y7 VanDerWaalsContact C-N 3.31Å; G5-Y7 PolarHBondContact O-N 3.49Å; Y7-N9 PolarHBondContact O-N 2.93Å
8Y39.1Very low48.5Very low199 Ų199103 Ų10378%0.7856%0.556SS**  trans-66.887157.6-68.5-85000105.1S6 A10S6-Y8 VanDerWaalsContact CB-CE2 3.49Å; S6-Y8 WeakPolarHBondContact O-CD2 3.18Å; S6-Y8 PolarHBondContact O-N 3.12Å; Y8-A10 PolarHBondContact O-N 2.88Å
9N39.3Very low48.9Very low85 Ų85104.2 Ų104.246%0.45556%0.562SS.*  trans-62.793.7162.1-74.5-35.4000105.2Y7 Y11Y7-N9 PolarHBondContact O-N 2.93Å; N9-Y11 HydrophobicContact CB-CE1 4.09Å; N9-Y11 HydrophobicContact CB-CE2 3.99Å; N9-Y11 VanDerWaalsContact O-CD2 3.24Å; N9-Y11 WeakPolarHBondContact O-CD2 3.17Å; N9-Y11 PolarHBondContact O-N 3.04Å
10A48Very low49.3Very low88 Ų88103.3 Ų103.373%0.72756%0.556SS**  trans-69.685.9174.200000106.8Y8 S12Y8-A10 PolarHBondContact O-N 2.88Å; A10-S12 PolarHBondContact O-N 3.04Å; A10-S12 VanDerWaalsContact O-N 3.16Å
11Y47Very low49.6Very low106 Ų10699.9 Ų99.942%0.41655%0.546SS..PPolyproline II helixtrans-61.5118.8174.7-62.1-68000108.5N9 Q29 F33N9-Y11 HydrophobicContact CB-CE1 4.09Å; N9-Y11 HydrophobicContact CB-CE2 3.99Å; N9-Y11 VanDerWaalsContact O-CD2 3.24Å; N9-Y11 WeakPolarHBondContact O-CD2 3.17Å; N9-Y11 PolarHBondContact O-N 3.04Å; Y11-Q29 HydrophobicContact CD1-CG 4.2Å; Y11-Q29 HydrophobicContact CE1-CG 3.91Å; Y11-F33 HydrophobicContact CD1-CD1 4.2Å; Y11-F33 AromaticContact CD1-CE1 3.4Å; Y11-F33 HydrophobicContact CD1-CE1 3.4Å; Y11-F33 HydrophobicContact CD1-CZ 4.28Å; Y11-F33 HydrophobicContact CD2-CE1 4.44Å; Y11-F33 AromaticContact CE1-CD1 3.76Å; Y11-F33 HydrophobicContact CE1-CD1 3.76Å; Y11-F33 AromaticContact CE1-CE1 3.44Å; Y11-F33 HydrophobicContact CE1-CE1 3.44Å; Y11-F33 VanDerWaalsContact CE1-CE1 3.44Å; Y11-F33 HydrophobicContact CE2-CE1 4.5Å; Y11-F33 AromaticContact CG-CE1 3.9Å; Y11-F33 HydrophobicContact CG-CE1 3.9Å; Y11-F33 HydrophobicContact CG-CZ 4.42Å
12S59.2Low50.6Low67 Ų6791.9 Ų91.947%0.46951%0.511SS..EExtended strand (participates in β ladder)trans-93.9118.7172.6-63.90000108A10 Q28A10-S12 PolarHBondContact O-N 3.04Å; A10-S12 VanDerWaalsContact O-N 3.16Å; S12-Q28 PolarHBondContact O-N 2.89Å
13F58.6Low51.8Low107 Ų10788 Ų8847%0.46948%0.476SS..EExtended strand (participates in β ladder)trans-97.7127.8173.7-64.5-89.6000108.5Y26 C27 F33 V35F13-Y26 WeakPolarHBondContact CA-O 3.43Å; F13-C27 HydrophobicContact CD1-CB 4.32Å; F13-C27 HydrophobicContact CE1-CB 4.15Å; F13-F33 HydrophobicContact CE1-CE2 4.23Å; F13-F33 AromaticContact CE1-CZ 3.86Å; F13-F33 HydrophobicContact CE1-CZ 3.86Å; F13-F33 HydrophobicContact CZ-CE2 4.33Å; F13-F33 AromaticContact CZ-CZ 3.78Å; F13-F33 HydrophobicContact CZ-CZ 3.78Å; F13-V35 HydrophobicContact CE1-CG1 4.41Å; F13-V35 HydrophobicContact CE1-CG2 4.25Å
14S65Low53.1Low6 Ų683.8 Ų83.84%0.04245%0.445CS..EExtended strand (participates in β ladder)trans-110.2127.4174.2-600000108.7Y26 H61S14-Y26 PolarHBondContact N-O 3.44Å; S14-Y26 PolarHBondContact O-N 3.42Å; S14-H61 PolarHBondContact OG-CD2 3.42Å
15L66.4Low54.4Low15 Ų1580 Ų808%0.07943%0.426CS..EExtended strand (participates in β ladder)trans-94.3127.1176.8-166.864.1000109.4L23 F25 V52 L60 H61L15-L23 HydrophobicContact CD1-CB 3.9Å; L15-L23 HydrophobicContact CD1-CD1 4.35Å; L15-L23 HydrophobicContact CD1-CD2 4.26Å; L15-L23 HydrophobicContact CD1-CG 4.41Å; L15-L23 HydrophobicContact CD2-CD1 4.16Å; L15-L23 HydrophobicContact CD2-CD2 4Å; L15-L23 HydrophobicContact CG-CD2 4.03Å; L15-F25 HydrophobicContact CD1-CD1 3.9Å; L15-F25 HydrophobicContact CD1-CD2 4.24Å; L15-F25 HydrophobicContact CD1-CE1 3.71Å; L15-F25 HydrophobicContact CD1-CE2 4.05Å; L15-F25 HydrophobicContact CD1-CG 4.17Å; L15-F25 HydrophobicContact CD1-CZ 3.78Å; L15-V52 HydrophobicContact CD2-CB 4.22Å; L15-V52 HydrophobicContact CD2-CG1 3.5Å; L15-V52 VanDerWaalsContact CD2-CG1 3.5Å; L15-V52 HydrophobicContact CD2-CG2 3.61Å; L15-L60 HydrophobicContact CB-CD2 4.26Å; L15-L60 HydrophobicContact CD2-CD2 3.9Å; L15-L60 HydrophobicContact CG-CD2 3.76Å; L15-L60 WeakPolarHBondContact O-CA 3.49Å; L15-H61 PolarHBondContact O-N 2.93Å
16F67.1Low55.5Low58 Ų5882.1 Ų82.125%0.25442%0.417SS..EExtended strand (participates in β ladder)trans-122140.5179.2-73-102.9000110.8T24 Y26 H61 N62F16-T24 PolarHBondContact N-O 3.08Å; F16-T24 PolarHBondContact O-N 2.77Å; F16-Y26 HydrophobicContact CB-CD2 4.21Å; F16-Y26 HydrophobicContact CB-CE2 4Å; F16-Y26 AromaticContact CD2-CD2 3.29Å; F16-Y26 HydrophobicContact CD2-CD2 3.29Å; F16-Y26 AromaticContact CD2-CE2 3.79Å; F16-Y26 HydrophobicContact CD2-CE2 3.79Å; F16-Y26 HydrophobicContact CD2-CG 4.12Å; F16-Y26 AromaticContact CE2-CD2 3.79Å; F16-Y26 HydrophobicContact CE2-CD2 3.79Å; F16-Y26 HydrophobicContact CE2-CE2 4.42Å; F16-Y26 HydrophobicContact CE2-CG 4.19Å; F16-Y26 AromaticContact CG-CD2 3.95Å; F16-Y26 HydrophobicContact CG-CD2 3.95Å; F16-Y26 AromaticContact CG-CE2 3.98Å; F16-Y26 HydrophobicContact CG-CE2 3.98Å; F16-H61 HydrophobicContact CE1-CB 4.46Å; F16-H61 HydrophobicContact CE2-CB 4.23Å; F16-H61 HydrophobicContact CZ-CB 4.14Å; F16-N62 WeakPolarHBondContact CA-OD1 3.46Å; F16-N62 HydrophobicContact CD1-CB 3.57Å; F16-N62 HydrophobicContact CE1-CB 3.84Å
17A65.2Low56.2Low12 Ų1279.7 Ų79.710%0.09940%0.399CS..EExtended strand (participates in β ladder)trans-86.5119.1162.500000108.9L60 N62 L66A17-L60 HydrophobicContact CB-CD1 3.91Å; A17-L60 HydrophobicContact CB-CD2 4.49Å; A17-N62 PolarHBondContact N-OD1 3.33Å; A17-N62 VanDerWaalsContact N-OD1 3.13Å; A17-N62 PolarHBondContact O-ND2 3.14Å; A17-L66 HydrophobicContact CB-CD1 4.39Å
18K59.8Low56.8Low115 Ų11576.2 Ų76.250%0.539%0.391SS..EExtended strand (participates in β ladder)trans-97.9-44.5177.4-81.8-169.4-179.7172.90113.5V22 T24 Y26K18-V22 PolarHBondContact N-O 3.3Å; K18-T24 HydrophobicContact CD-CG2 4.46Å; K18-T24 WeakPolarHBondContact CD-OG1 3.49Å; K18-Y26 WeakPolarHBondContact CE-OH 3.38Å; K18-Y26 PolarHBondContact NZ-OH 2.79Å
19N55.9Low57.4Low126 Ų12669.3 Ų69.367%0.67437%0.365SS*.EExtended strand (participates in β ladder)trans-146.8151.8174.4-75.6-60.6000107.1G21 V22N19-G21 PolarHBondContact O-N 3.43Å; N19-V22 PolarHBondContact O-N 3.25Å
20L56.7Low58Low85 Ų8576.8 Ų76.845%0.44539%0.389SS..THydrogen-bonded Turntrans-31.1106.1178.8-58.6165.3000112.6E73L20-E73 WeakPolarHBondContact CD1-OE1 3.29Å; L20-E73 HydrophobicContact CD2-CB 3.98Å; L20-E73 HydrophobicContact CD2-CG 3.53Å; L20-E73 WeakPolarHBondContact CD2-OE1 3.41Å
21G55.6Low57.8Low32 Ų3278 Ų7833%0.3338%0.383SS..THydrogen-bonded Turntrans89.3-12.617800000117N19 L23N19-G21 PolarHBondContact O-N 3.43Å; G21-L23 PolarHBondContact O-N 3.15Å
22V59.9Low57.6Low82 Ų8282 Ų8250%0.49741%0.406SS..EExtended strand (participates in β ladder)trans-94.2103-179.6-174.80000110.7K18 N19K18-V22 PolarHBondContact N-O 3.3Å; N19-V22 PolarHBondContact O-N 3.25Å
23L63Low56.8Low24 Ų2481.8 Ų81.813%0.12640%0.396CS..EExtended strand (participates in β ladder)trans-77.6128167.6-66.1-177.4000110.4L15 G21 Y49 V52 L60 F78L15-L23 HydrophobicContact CD1-CB 3.9Å; L15-L23 HydrophobicContact CD1-CD1 4.35Å; L15-L23 HydrophobicContact CD1-CD2 4.26Å; L15-L23 HydrophobicContact CD1-CG 4.41Å; L15-L23 HydrophobicContact CD2-CD1 4.16Å; L15-L23 HydrophobicContact CD2-CD2 4Å; L15-L23 HydrophobicContact CG-CD2 4.03Å; G21-L23 PolarHBondContact O-N 3.15Å; L23-Y49 HydrophobicContact CD1-CD2 4.04Å; L23-Y49 HydrophobicContact CD1-CE2 3.59Å; L23-V52 HydrophobicContact CD1-CG1 3.93Å; L23-V52 HydrophobicContact CD2-CG1 4.15Å; L23-L60 HydrophobicContact CD2-CD2 3.79Å; L23-F78 HydrophobicContact CD2-CE2 4.24Å; L23-F78 HydrophobicContact CD2-CZ 3.66Å; L23-F78 HydrophobicContact CG-CZ 4.4Å
24T63.3Low56Low29 Ų2982.7 Ų82.718%0.17841%0.411CS..EExtended strand (participates in β ladder)trans-116.2125.5172.2-54.20000110F16 K18 Y26F16-T24 PolarHBondContact N-O 3.08Å; F16-T24 PolarHBondContact O-N 2.77Å; K18-T24 HydrophobicContact CD-CG2 4.46Å; K18-T24 WeakPolarHBondContact CD-OG1 3.49Å; T24-Y26 HydrophobicContact CG2-CD2 3.95Å; T24-Y26 HydrophobicContact CG2-CE2 3.55Å
25F63.8Low55.1Low97 Ų9785 Ų8543%0.42542%0.424SS..EExtended strand (participates in β ladder)trans-84.6125.9170.1-66.4-90.2000109.7L15 L43L15-F25 HydrophobicContact CD1-CD1 3.9Å; L15-F25 HydrophobicContact CD1-CD2 4.24Å; L15-F25 HydrophobicContact CD1-CE1 3.71Å; L15-F25 HydrophobicContact CD1-CE2 4.05Å; L15-F25 HydrophobicContact CD1-CG 4.17Å; L15-F25 HydrophobicContact CD1-CZ 3.78Å; F25-L43 HydrophobicContact CE2-CD1 4.14Å; F25-L43 HydrophobicContact CZ-CD1 4.49Å; F25-L43 HydrophobicContact CZ-CD2 4.43Å
26Y57.1Low54.2Low101 Ų10189 Ų8940%0.39645%0.451SS..EExtended strand (participates in β ladder)trans-107.8120.5166.5-73.3-95.3000108.1F13 S14 F16 K18 T24F13-Y26 WeakPolarHBondContact CA-O 3.43Å; S14-Y26 PolarHBondContact N-O 3.44Å; S14-Y26 PolarHBondContact O-N 3.42Å; F16-Y26 HydrophobicContact CB-CD2 4.21Å; F16-Y26 HydrophobicContact CB-CE2 4Å; F16-Y26 AromaticContact CD2-CD2 3.29Å; F16-Y26 HydrophobicContact CD2-CD2 3.29Å; F16-Y26 AromaticContact CD2-CE2 3.79Å; F16-Y26 HydrophobicContact CD2-CE2 3.79Å; F16-Y26 HydrophobicContact CD2-CG 4.12Å; F16-Y26 AromaticContact CE2-CD2 3.79Å; F16-Y26 HydrophobicContact CE2-CD2 3.79Å; F16-Y26 HydrophobicContact CE2-CE2 4.42Å; F16-Y26 HydrophobicContact CE2-CG 4.19Å; F16-Y26 AromaticContact CG-CD2 3.95Å; F16-Y26 HydrophobicContact CG-CD2 3.95Å; F16-Y26 AromaticContact CG-CE2 3.98Å; F16-Y26 HydrophobicContact CG-CE2 3.98Å; K18-Y26 WeakPolarHBondContact CE-OH 3.38Å; K18-Y26 PolarHBondContact NZ-OH 2.79Å; T24-Y26 HydrophobicContact CG2-CD2 3.95Å; T24-Y26 HydrophobicContact CG2-CE2 3.55Å
27C51.1Low53.4Low29 Ų2994.4 Ų94.420%0.19648%0.477CS..EExtended strand (participates in β ladder)trans-82.3117.2161.3-170.50000107.7F13 Q29 F33 V35F13-C27 HydrophobicContact CD1-CB 4.32Å; F13-C27 HydrophobicContact CE1-CB 4.15Å; C27-Q29 PolarHBondContact O-N 3.1Å; C27-F33 HydrophobicContact CB-CE1 4.18Å; C27-F33 HydrophobicContact CB-CE2 4.32Å; C27-F33 HydrophobicContact CB-CZ 3.68Å; C27-F33 WeakPolarHBondContact SG-CE1 3.44Å; C27-F33 WeakPolarHBondContact SG-CZ 3.43Å; C27-V35 HydrophobicContact CB-CG2 4.05Å
28Q51.5Low52.7Low138 Ų13899.5 Ų99.565%0.64550%0.5SS*.EExtended strand (participates in β ladder)trans-71.7110161.6-77.9-170.2-0.300107S12S12-Q28 PolarHBondContact O-N 2.89Å
29Q53.2Low52.5Low54 Ų5498.6 Ų98.625%0.25250%0.501SS..  trans-135.8133.6-177.2-148.8-166-18.700109.5Y11 C27 D31 F33Y11-Q29 HydrophobicContact CD1-CG 4.2Å; Y11-Q29 HydrophobicContact CE1-CG 3.91Å; C27-Q29 PolarHBondContact O-N 3.1Å; Q29-D31 WeakPolarHBondContact CB-O 3.31Å; Q29-D31 HydrophobicContact CG-CB 4.19Å; Q29-D31 WeakPolarHBondContact CG-O 3.35Å; Q29-D31 VanDerWaalsContact NE2-CB 3.25Å; Q29-D31 PolarHBondContact NE2-O 3.46Å; Q29-D31 VanDerWaalsContact NE2-O 3.13Å; Q29-D31 PolarHBondContact OE1-O 3.31Å; Q29-F33 VanDerWaalsContact CD-CE1 3.47Å; Q29-F33 HydrophobicContact CG-CD1 4.04Å; Q29-F33 HydrophobicContact CG-CE1 4.02Å
30Y50.7Low52.4Low241 Ų24197.1 Ų97.195%0.94549%0.492SS*.SBendtrans-81.9-0.3162.5-80.1-78.5000112.2
31D45Very low52.6Low114 Ų11495.7 Ų95.761%0.6149%0.489SS*.SBendtrans-128.6171.7173.4-80.3-47.9000107.3Q29Q29-D31 WeakPolarHBondContact CB-O 3.31Å; Q29-D31 HydrophobicContact CG-CB 4.19Å; Q29-D31 WeakPolarHBondContact CG-O 3.35Å; Q29-D31 VanDerWaalsContact NE2-CB 3.25Å; Q29-D31 PolarHBondContact NE2-O 3.46Å; Q29-D31 VanDerWaalsContact NE2-O 3.13Å; Q29-D31 PolarHBondContact OE1-O 3.31Å
32E41.3Very low52.8Low191 Ų19198.2 Ų98.289%0.89350%0.501SS*.  trans-114.2106.1-179.4-176179.9-178.400108.2
33F43Very low53Low62 Ų6295.3 Ų95.327%0.27248%0.483SS..  trans-111.8130.6163.874.6-110.2000108Y11 F13 C27 Q29 V35Y11-F33 HydrophobicContact CD1-CD1 4.2Å; Y11-F33 AromaticContact CD1-CE1 3.4Å; Y11-F33 HydrophobicContact CD1-CE1 3.4Å; Y11-F33 HydrophobicContact CD1-CZ 4.28Å; Y11-F33 HydrophobicContact CD2-CE1 4.44Å; Y11-F33 AromaticContact CE1-CD1 3.76Å; Y11-F33 HydrophobicContact CE1-CD1 3.76Å; Y11-F33 AromaticContact CE1-CE1 3.44Å; Y11-F33 HydrophobicContact CE1-CE1 3.44Å; Y11-F33 VanDerWaalsContact CE1-CE1 3.44Å; Y11-F33 HydrophobicContact CE2-CE1 4.5Å; Y11-F33 AromaticContact CG-CE1 3.9Å; Y11-F33 HydrophobicContact CG-CE1 3.9Å; Y11-F33 HydrophobicContact CG-CZ 4.42Å; F13-F33 HydrophobicContact CE1-CE2 4.23Å; F13-F33 AromaticContact CE1-CZ 3.86Å; F13-F33 HydrophobicContact CE1-CZ 3.86Å; F13-F33 HydrophobicContact CZ-CE2 4.33Å; F13-F33 AromaticContact CZ-CZ 3.78Å; F13-F33 HydrophobicContact CZ-CZ 3.78Å; C27-F33 HydrophobicContact CB-CE1 4.18Å; C27-F33 HydrophobicContact CB-CE2 4.32Å; C27-F33 HydrophobicContact CB-CZ 3.68Å; C27-F33 WeakPolarHBondContact SG-CE1 3.44Å; C27-F33 WeakPolarHBondContact SG-CZ 3.43Å; Q29-F33 VanDerWaalsContact CD-CE1 3.47Å; Q29-F33 HydrophobicContact CG-CD1 4.04Å; Q29-F33 HydrophobicContact CG-CE1 4.02Å; F33-V35 HydrophobicContact CD2-CB 4.41Å; F33-V35 HydrophobicContact CD2-CG2 3.92Å; F33-V35 HydrophobicContact CE2-CB 4Å; F33-V35 HydrophobicContact CE2-CG1 4.42Å; F33-V35 HydrophobicContact CE2-CG2 3.3Å; F33-V35 HydrophobicContact CZ-CG2 4.07Å; F33-V35 PolarHBondContact O-N 3.18Å
34V41.5Very low53.2Low126 Ų12697.2 Ų97.276%0.76449%0.491SS*.  trans-68.4103.3166.8179.60000105.7P36V34-P36 VanDerWaalsContact O-CD 3.29Å; V34-P36 WeakPolarHBondContact O-CD 3.47Å; V34-P36 VanDerWaalsContact O-N 3.09Å
35V46.6Very low53.4Low54 Ų54100.2 Ų100.233%0.32751%0.506SS..  trans-56.8118.3166.3-1700000104.3F13 C27 F33 H37F13-V35 HydrophobicContact CE1-CG1 4.41Å; F13-V35 HydrophobicContact CE1-CG2 4.25Å; C27-V35 HydrophobicContact CB-CG2 4.05Å; F33-V35 HydrophobicContact CD2-CB 4.41Å; F33-V35 HydrophobicContact CD2-CG2 3.92Å; F33-V35 HydrophobicContact CE2-CB 4Å; F33-V35 HydrophobicContact CE2-CG1 4.42Å; F33-V35 HydrophobicContact CE2-CG2 3.3Å; F33-V35 HydrophobicContact CZ-CG2 4.07Å; F33-V35 PolarHBondContact O-N 3.18Å; V35-H37 PolarHBondContact O-N 3.01Å
36P48.2Very low54Low99 Ų9997.1 Ų97.164%0.64350%0.496SS*.  trans-53.9124.1171.420.6-28.2000105.4V34 M38V34-P36 VanDerWaalsContact O-CD 3.29Å; V34-P36 WeakPolarHBondContact O-CD 3.47Å; V34-P36 VanDerWaalsContact O-N 3.09Å; P36-M38 PolarHBondContact O-N 3.44Å
37H49Very low55Low171 Ų17198.5 Ų98.579%0.79251%0.509SS*.  trans-56.197.5168.649.6-82.1000104.4V35 D39V35-H37 PolarHBondContact O-N 3.01Å; H37-D39 PolarHBondContact O-N 3.3Å
38M50.1Low56.2Low119 Ų119100.4 Ų100.459%0.58653%0.527SS*.  trans-64.6114.6173.1-174.3173-66.800103.3P36 L40 C42 L43P36-M38 PolarHBondContact O-N 3.44Å; M38-L40 PolarHBondContact O-N 3.09Å; M38-C42 HydrophobicContact CG-CB 3.87Å; M38-C42 HydrophobicContact SD-CB 4.32Å; M38-L43 HydrophobicContact CB-CD1 4.01Å; M38-L43 HydrophobicContact CB-CG 4.4Å; M38-L43 HydrophobicContact CG-CD1 4.16Å; M38-L43 HydrophobicContact CG-CG 4.02Å; M38-L43 HydrophobicContact SD-CD1 4.39Å; M38-L43 HydrophobicContact SD-CD2 4.06Å; M38-L43 HydrophobicContact SD-CG 3.77Å
39D55.4Low57.6Low97 Ų9794.4 Ų94.452%0.51950%0.499SS..  trans-50.2133177.7-168.2-48.9000107.5H37 S41 C42 L43H37-D39 PolarHBondContact O-N 3.3Å; D39-S41 PolarHBondContact O-N 3.28Å; D39-S41 WeakPolarHBondContact OD1-CB 3.28Å; D39-S41 PolarHBondContact OD1-N 3.46Å; D39-S41 PolarHBondContact OD1-OG 3.06Å; D39-C42 WeakPolarHBondContact O-CB 3.45Å; D39-C42 PolarHBondContact O-N 3.35Å; D39-L43 PolarHBondContact O-N 2.75Å
40L55.4Low59Low94 Ų9493.5 Ų93.549%0.49249%0.494SS..Hα-helixtrans-54.2-29.3-178.1-74.3170.2000110.8M38 C42 L43 Q44M38-L40 PolarHBondContact O-N 3.09Å; L40-C42 VanDerWaalsContact C-N 3.31Å; L40-C42 PolarHBondContact O-N 3.05Å; L40-L43 HydrophobicContact CD2-CD1 4.43Å; L40-L43 CarbonylContact O-C 3.57Å; L40-L43 PolarHBondContact O-N 3.04Å; L40-L43 VanDerWaalsContact O-N 3.08Å; L40-Q44 WeakPolarHBondContact O-CB 3.48Å; L40-Q44 WeakPolarHBondContact O-CG 3.5Å; L40-Q44 PolarHBondContact O-N 3.15Å
41S61.1Low60.7Low56 Ų5685.9 Ų85.939%0.39247%0.466SS..Hα-helixtrans-56.7-38.7174.154.70000113.8D39D39-S41 PolarHBondContact O-N 3.28Å; D39-S41 WeakPolarHBondContact OD1-CB 3.28Å; D39-S41 PolarHBondContact OD1-N 3.46Å; D39-S41 PolarHBondContact OD1-OG 3.06Å
42C59.4Low62.6Low84 Ų8481.1 Ų81.157%0.56844%0.441SS*.Hα-helixtrans-72.5-34.7175.5-680000111.8M38 D39 L40M38-C42 HydrophobicContact CG-CB 3.87Å; M38-C42 HydrophobicContact SD-CB 4.32Å; D39-C42 WeakPolarHBondContact O-CB 3.45Å; D39-C42 PolarHBondContact O-N 3.35Å; L40-C42 VanDerWaalsContact C-N 3.31Å; L40-C42 PolarHBondContact O-N 3.05Å
43L64.4Low64.8Low22 Ų2272 Ų7212%0.11540%0.399CS..Hα-helixtrans-74.1-36.8178.8-82.1155.2000112.3F25 M38 D39 L40 N45 S46 Y49F25-L43 HydrophobicContact CE2-CD1 4.14Å; F25-L43 HydrophobicContact CZ-CD1 4.49Å; F25-L43 HydrophobicContact CZ-CD2 4.43Å; M38-L43 HydrophobicContact CB-CD1 4.01Å; M38-L43 HydrophobicContact CB-CG 4.4Å; M38-L43 HydrophobicContact CG-CD1 4.16Å; M38-L43 HydrophobicContact CG-CG 4.02Å; M38-L43 HydrophobicContact SD-CD1 4.39Å; M38-L43 HydrophobicContact SD-CD2 4.06Å; M38-L43 HydrophobicContact SD-CG 3.77Å; D39-L43 PolarHBondContact O-N 2.75Å; L40-L43 HydrophobicContact CD2-CD1 4.43Å; L40-L43 CarbonylContact O-C 3.57Å; L40-L43 PolarHBondContact O-N 3.04Å; L40-L43 VanDerWaalsContact O-N 3.08Å; L43-N45 PolarHBondContact O-N 3.4Å; L43-S46 WeakPolarHBondContact O-CA 3.25Å; L43-S46 VanDerWaalsContact O-CB 3.25Å; L43-S46 WeakPolarHBondContact O-CB 3.32Å; L43-S46 PolarHBondContact O-N 2.76Å; L43-S46 PolarHBondContact O-OG 2.99Å; L43-Y49 WeakPolarHBondContact O-CB 3.42Å
44Q67.2Low66.9Low63 Ų6372.7 Ų72.729%0.29440%0.402SS..Hα-helixtrans-54.8-38.1-175.6-84169.6-15.600112.5L40 S46 Y49 V85L40-Q44 WeakPolarHBondContact O-CB 3.48Å; L40-Q44 WeakPolarHBondContact O-CG 3.5Å; L40-Q44 PolarHBondContact O-N 3.15Å; Q44-S46 VanDerWaalsContact C-N 3.33Å; Q44-Y49 HydrophobicContact CG-CE1 4.12Å; Q44-V85 WeakPolarHBondContact O-CG1 3.44Å
45N66.8Low69.1Low92 Ų9269.9 Ų69.949%0.49238%0.381SS..THydrogen-bonded Turntrans-85.9-2.3178-67.2-46.1000114L43L43-N45 PolarHBondContact O-N 3.4Å
46S75.9Confident71Confident33 Ų3367.4 Ų67.423%0.23137%0.366CS..SBendtrans-82.6143.1-178.2790000112L43 Q44 A48 Y49 Q50L43-S46 WeakPolarHBondContact O-CA 3.25Å; L43-S46 VanDerWaalsContact O-CB 3.25Å; L43-S46 WeakPolarHBondContact O-CB 3.32Å; L43-S46 PolarHBondContact O-N 2.76Å; L43-S46 PolarHBondContact O-OG 2.99Å; Q44-S46 VanDerWaalsContact C-N 3.33Å; S46-A48 PolarHBondContact O-N 3.3Å; S46-Y49 PolarHBondContact O-N 2.95Å; S46-Y49 VanDerWaalsContact OG-CB 3.31Å; S46-Y49 WeakPolarHBondContact OG-CB 3.16Å; S46-Y49 PolarHBondContact OG-N 2.98Å; S46-Y49 VanDerWaalsContact OG-N 3.13Å; S46-Q50 PolarHBondContact O-N 2.83Å
47I77.8Confident72.9Confident130 Ų13069 Ų6967%0.66736%0.359SS*.Hα-helixtrans-61.4-35.4173.5-63.5172.6000110.6Y49 Q50 K51I47-Y49 PolarHBondContact O-N 3.39Å; I47-Q50 PolarHBondContact O-N 3.2Å; I47-K51 HydrophobicContact CG2-CG 4.41Å; I47-K51 WeakPolarHBondContact O-CG 3.4Å; I47-K51 PolarHBondContact O-N 3.12Å
48A77.3Confident74.7Confident69 Ų6964.6 Ų64.657%0.5735%0.345SS*.Hα-helixtrans-61.6-43.2179.300000111.8S46 K51 V52S46-A48 PolarHBondContact O-N 3.3Å; A48-K51 PolarHBondContact O-N 3.33Å; A48-V52 WeakPolarHBondContact O-CG2 3.36Å; A48-V52 PolarHBondContact O-N 3.01Å; A48-V52 VanDerWaalsContact O-N 3.14Å
49Y81.3Confident76.3Confident12 Ų1263.5 Ų63.55%0.04734%0.335CS..Hα-helixtrans-62.5-47175.9-173.5-116.6000112.1L23 L43 Q44 S46 I47 K51 V52 L53 E81 V85L23-Y49 HydrophobicContact CD1-CD2 4.04Å; L23-Y49 HydrophobicContact CD1-CE2 3.59Å; L43-Y49 WeakPolarHBondContact O-CB 3.42Å; Q44-Y49 HydrophobicContact CG-CE1 4.12Å; S46-Y49 PolarHBondContact O-N 2.95Å; S46-Y49 VanDerWaalsContact OG-CB 3.31Å; S46-Y49 WeakPolarHBondContact OG-CB 3.16Å; S46-Y49 PolarHBondContact OG-N 2.98Å; S46-Y49 VanDerWaalsContact OG-N 3.13Å; I47-Y49 PolarHBondContact O-N 3.39Å; Y49-K51 PolarHBondContact O-N 3.43Å; Y49-V52 WeakPolarHBondContact O-CB 3.32Å; Y49-V52 PolarHBondContact O-N 2.96Å; Y49-V52 VanDerWaalsContact O-N 3.1Å; Y49-L53 HydrophobicContact CD1-CD1 3.91Å; Y49-L53 HydrophobicContact CD1-CG 4.38Å; Y49-L53 HydrophobicContact CE1-CD1 3.54Å; Y49-L53 HydrophobicContact CE1-CD2 4.42Å; Y49-L53 HydrophobicContact CE1-CG 4.13Å; Y49-L53 HydrophobicContact CE2-CD2 4.39Å; Y49-L53 WeakPolarHBondContact O-CG 3.45Å; Y49-L53 PolarHBondContact O-N 3.34Å; Y49-E81 PolarHBondContact OH-OE1 2.97Å; Y49-E81 PolarHBondContact OH-OE2 3.36Å; Y49-V85 HydrophobicContact CE1-CG2 4.39Å
50Q82.7Confident77.6Confident35 Ų3559.2 Ų59.216%0.16431%0.312CS..Hα-helixtrans-58.2-37.1177.4-67.7173.556.400112.4S46 I47 L53 E54 L82 V85 M89S46-Q50 PolarHBondContact O-N 2.83Å; I47-Q50 PolarHBondContact O-N 3.2Å; Q50-L53 PolarHBondContact O-N 3.28Å; Q50-E54 WeakPolarHBondContact O-CB 3.31Å; Q50-E54 PolarHBondContact O-N 3.21Å; Q50-L82 HydrophobicContact CB-CD1 3.85Å; Q50-L82 HydrophobicContact CG-CD1 4Å; Q50-V85 HydrophobicContact CG-CG1 4.17Å; Q50-M89 PolarHBondContact NE2-SD 2.93Å; Q50-M89 VanDerWaalsContact NE2-SD 3.39Å
51K85Confident78.9Confident80 Ų8061 Ų6135%0.34832%0.317SS..Hα-helixtrans-66.8-40176.5-75.3-73.8165.2-156.60112.9I47 A48 Y49 L53 E54 E55 Y59I47-K51 HydrophobicContact CG2-CG 4.41Å; I47-K51 WeakPolarHBondContact O-CG 3.4Å; I47-K51 PolarHBondContact O-N 3.12Å; A48-K51 PolarHBondContact O-N 3.33Å; Y49-K51 PolarHBondContact O-N 3.43Å; K51-L53 VanDerWaalsContact C-N 3.31Å; K51-L53 PolarHBondContact O-N 2.99Å; K51-E54 IonicContact NZ-OE2 2.76Å; K51-E54 PolarHBondContact NZ-OE2 3.11Å; K51-E54 PolarHBondContact O-N 3.32Å; K51-E55 PolarHBondContact O-N 3.39Å; K51-Y59 HydrophobicContact CB-CE2 3.91Å; K51-Y59 WeakPolarHBondContact O-CE2 3.46Å
52V85.8Confident80Confident14 Ų1459.4 Ų59.49%0.08530%0.304CS..Hα-helixtrans-60.5-42.6172.5172.50000111.2L15 L23 A48 Y49 E55 P56 Y59 F78L15-V52 HydrophobicContact CD2-CB 4.22Å; L15-V52 HydrophobicContact CD2-CG1 3.5Å; L15-V52 VanDerWaalsContact CD2-CG1 3.5Å; L15-V52 HydrophobicContact CD2-CG2 3.61Å; L23-V52 HydrophobicContact CD1-CG1 3.93Å; L23-V52 HydrophobicContact CD2-CG1 4.15Å; A48-V52 WeakPolarHBondContact O-CG2 3.36Å; A48-V52 PolarHBondContact O-N 3.01Å; A48-V52 VanDerWaalsContact O-N 3.14Å; Y49-V52 WeakPolarHBondContact O-CB 3.32Å; Y49-V52 PolarHBondContact O-N 2.96Å; Y49-V52 VanDerWaalsContact O-N 3.1Å; V52-E55 CarbonylContact O-C 3.6Å; V52-P56 VanDerWaalsContact O-CA 3.27Å; V52-P56 WeakPolarHBondContact O-CA 3.47Å; V52-P56 WeakPolarHBondContact O-CD 3.25Å; V52-P56 VanDerWaalsContact O-N 3.16Å; V52-Y59 HydrophobicContact CG2-CD2 4.23Å; V52-Y59 HydrophobicContact CG2-CG 4.08Å; V52-F78 HydrophobicContact CG1-CE2 4.28Å
53L86.3Confident81.3Confident1 Ų156.8 Ų56.81%0.00528%0.283CS..Hα-helixtrans-68.8-35.7179.4-61.8-178.7000112.5Y49 Q50 K51 F78 E81 L82Y49-L53 HydrophobicContact CD1-CD1 3.91Å; Y49-L53 HydrophobicContact CD1-CG 4.38Å; Y49-L53 HydrophobicContact CE1-CD1 3.54Å; Y49-L53 HydrophobicContact CE1-CD2 4.42Å; Y49-L53 HydrophobicContact CE1-CG 4.13Å; Y49-L53 HydrophobicContact CE2-CD2 4.39Å; Y49-L53 WeakPolarHBondContact O-CG 3.45Å; Y49-L53 PolarHBondContact O-N 3.34Å; Q50-L53 PolarHBondContact O-N 3.28Å; K51-L53 VanDerWaalsContact C-N 3.31Å; K51-L53 PolarHBondContact O-N 2.99Å; L53-F78 HydrophobicContact CB-CB 4.18Å; L53-F78 HydrophobicContact CD2-CB 3.8Å; L53-F78 HydrophobicContact CD2-CD1 3.74Å; L53-F78 HydrophobicContact CD2-CD2 3.93Å; L53-F78 HydrophobicContact CD2-CE1 4.27Å; L53-F78 HydrophobicContact CD2-CE2 4.43Å; L53-F78 HydrophobicContact CD2-CG 3.56Å; L53-F78 WeakPolarHBondContact O-CB 3.34Å; L53-E81 HydrophobicContact CD1-CB 4.19Å; L53-E81 HydrophobicContact CD1-CG 3.93Å; L53-L82 HydrophobicContact CB-CB 3.99Å; L53-L82 HydrophobicContact CB-CD1 4.28Å; L53-L82 HydrophobicContact CD1-CB 4.08Å; L53-L82 HydrophobicContact CD1-CD1 4.39Å
54E87.8Confident82.5Confident75 Ų7562.8 Ų62.835%0.3532%0.315SS..Hα-helixtrans-72.4-41.2179.7-171.8170.4-134.600112.2Q50 K51 W57 L82Q50-E54 WeakPolarHBondContact O-CB 3.31Å; Q50-E54 PolarHBondContact O-N 3.21Å; K51-E54 IonicContact NZ-OE2 2.76Å; K51-E54 PolarHBondContact NZ-OE2 3.11Å; K51-E54 PolarHBondContact O-N 3.32Å; E54-W57 WeakPolarHBondContact O-CH2 3.42Å; E54-L82 HydrophobicContact CB-CD2 4Å; E54-L82 HydrophobicContact CG-CD2 4.47Å
55E88.4Confident83.6Confident67 Ų6764.8 Ų64.831%0.31334%0.336SS..  trans-134.364.2-174.1-55.3-174.3123.700111.9K51 V52 W57 T58 Y59K51-E55 PolarHBondContact O-N 3.39Å; V52-E55 CarbonylContact O-C 3.6Å; E55-W57 HydrophobicContact CB-CD2 4.42Å; E55-W57 HydrophobicContact CB-CH2 4.14Å; E55-W57 HydrophobicContact CB-CZ2 3.66Å; E55-W57 HydrophobicContact CG-CH2 4.1Å; E55-W57 HydrophobicContact CG-CZ2 3.62Å; E55-W57 PolarHBondContact O-N 3.47Å; E55-W57 VanDerWaalsContact O-N 3.09Å; E55-T58 WeakPolarHBondContact O-CB 3.46Å; E55-T58 PolarHBondContact O-N 3.01Å; E55-Y59 HydrophobicContact CB-CE2 4.27Å; E55-Y59 VanDerWaalsContact O-CD2 3.27Å; E55-Y59 WeakPolarHBondContact O-CD2 3Å
56P85.3Confident84.5Confident2 Ų262 Ų621%0.01332%0.32CS..Hα-helixtrans-56.8-32-175.618.3-31.1000113.6V52 T58 Y59 L60 W63 F78V52-P56 VanDerWaalsContact O-CA 3.27Å; V52-P56 WeakPolarHBondContact O-CA 3.47Å; V52-P56 WeakPolarHBondContact O-CD 3.25Å; V52-P56 VanDerWaalsContact O-N 3.16Å; P56-T58 PolarHBondContact O-N 2.94Å; P56-Y59 PolarHBondContact O-N 3.24Å; P56-L60 HydrophobicContact CB-CD1 3.8Å; P56-L60 HydrophobicContact CB-CG 4.23Å; P56-L60 WeakPolarHBondContact O-CB 3.21Å; P56-L60 WeakPolarHBondContact O-CG 3.43Å; P56-L60 PolarHBondContact O-N 3.31Å; P56-W63 HydrophobicContact CB-CE3 4.02Å; P56-W63 HydrophobicContact CB-CH2 4.27Å; P56-W63 HydrophobicContact CB-CZ3 3.64Å; P56-W63 HydrophobicContact CG-CE3 4.49Å; P56-W63 HydrophobicContact CG-CH2 3.87Å; P56-W63 HydrophobicContact CG-CZ3 3.75Å; P56-F78 HydrophobicContact CB-CD2 3.75Å; P56-F78 HydrophobicContact CB-CE2 3.83Å; P56-F78 HydrophobicContact CG-CD2 4.05Å
57W88.5Confident85.3Confident132 Ų13264.3 Ų64.350%0.533%0.334SS..Hα-helixtrans-63.1-25.1177.757.484.3000114E54 E55 W63E54-W57 WeakPolarHBondContact O-CH2 3.42Å; E55-W57 HydrophobicContact CB-CD2 4.42Å; E55-W57 HydrophobicContact CB-CH2 4.14Å; E55-W57 HydrophobicContact CB-CZ2 3.66Å; E55-W57 HydrophobicContact CG-CH2 4.1Å; E55-W57 HydrophobicContact CG-CZ2 3.62Å; E55-W57 PolarHBondContact O-N 3.47Å; E55-W57 VanDerWaalsContact O-N 3.09Å; W57-W63 HydrophobicContact CB-CD2 3.96Å; W57-W63 HydrophobicContact CB-CG 3.91Å; W57-W63 HydrophobicContact CB-CZ2 4.34Å; W57-W63 HydrophobicContact CE3-CZ2 4.48Å
58T86.5Confident85.9Confident80 Ų8062.9 Ų62.949%0.49133%0.333SS..Hα-helixtrans-79.2-30.5179.2-58.20000111.5E55 P56E55-T58 WeakPolarHBondContact O-CB 3.46Å; E55-T58 PolarHBondContact O-N 3.01Å; P56-T58 PolarHBondContact O-N 2.94Å
59Y83.7Confident86.6Confident96 Ų9663.8 Ų63.838%0.37634%0.335SS..Hα-helixtrans-115.6-25.2-166.8-57.6-71.2000114.1K51 V52 E55 P56 H61K51-Y59 HydrophobicContact CB-CE2 3.91Å; K51-Y59 WeakPolarHBondContact O-CE2 3.46Å; V52-Y59 HydrophobicContact CG2-CD2 4.23Å; V52-Y59 HydrophobicContact CG2-CG 4.08Å; E55-Y59 HydrophobicContact CB-CE2 4.27Å; E55-Y59 VanDerWaalsContact O-CD2 3.27Å; E55-Y59 WeakPolarHBondContact O-CD2 3Å; P56-Y59 PolarHBondContact O-N 3.24Å; Y59-H61 PolarHBondContact O-N 2.88Å
60L83Confident86.9Confident7 Ų765.7 Ų65.74%0.03735%0.347CS..BIsolated β-bridgetrans-81.4114.3177.9-65.6-177.1000110.6L15 A17 L23 P56 N62 W63 V74 F78L15-L60 HydrophobicContact CB-CD2 4.26Å; L15-L60 HydrophobicContact CD2-CD2 3.9Å; L15-L60 HydrophobicContact CG-CD2 3.76Å; L15-L60 WeakPolarHBondContact O-CA 3.49Å; A17-L60 HydrophobicContact CB-CD1 3.91Å; A17-L60 HydrophobicContact CB-CD2 4.49Å; L23-L60 HydrophobicContact CD2-CD2 3.79Å; P56-L60 HydrophobicContact CB-CD1 3.8Å; P56-L60 HydrophobicContact CB-CG 4.23Å; P56-L60 WeakPolarHBondContact O-CB 3.21Å; P56-L60 WeakPolarHBondContact O-CG 3.43Å; P56-L60 PolarHBondContact O-N 3.31Å; L60-N62 PolarHBondContact O-N 3.33Å; L60-W63 HydrophobicContact CB-CB 4.2Å; L60-W63 HydrophobicContact CD1-CE3 3.92Å; L60-W63 HydrophobicContact CD1-CZ3 4.3Å; L60-W63 WeakPolarHBondContact O-CB 3.44Å; L60-W63 PolarHBondContact O-N 3.29Å; L60-W63 VanDerWaalsContact O-N 3.1Å; L60-V74 HydrophobicContact CD1-CG1 4.28Å; L60-F78 HydrophobicContact CD1-CE2 4.06Å; L60-F78 HydrophobicContact CD1-CZ 4.48Å
61H83.2Confident87.2Confident130 Ų13066 Ų6660%0.60235%0.349SS*.THydrogen-bonded Turntrans-68.5-20-175.3-140.2-70.5000113.3S14 L15 F16 Y59S14-H61 PolarHBondContact OG-CD2 3.42Å; L15-H61 PolarHBondContact O-N 2.93Å; F16-H61 HydrophobicContact CE1-CB 4.46Å; F16-H61 HydrophobicContact CE2-CB 4.23Å; F16-H61 HydrophobicContact CZ-CB 4.14Å; Y59-H61 PolarHBondContact O-N 2.88Å
62N84.2Confident87.5Confident23 Ų2368.6 Ų68.612%0.12336%0.363CS..THydrogen-bonded Turntrans-105.213.4176.567.2-39.3000113.6F16 A17 L60 D64 S65 L66F16-N62 WeakPolarHBondContact CA-OD1 3.46Å; F16-N62 HydrophobicContact CD1-CB 3.57Å; F16-N62 HydrophobicContact CE1-CB 3.84Å; A17-N62 PolarHBondContact N-OD1 3.33Å; A17-N62 VanDerWaalsContact N-OD1 3.13Å; A17-N62 PolarHBondContact O-ND2 3.14Å; L60-N62 PolarHBondContact O-N 3.33Å; N62-D64 PolarHBondContact O-N 3.31Å; N62-S65 WeakPolarHBondContact O-CB 3.36Å; N62-S65 PolarHBondContact O-N 3.13Å; N62-L66 WeakPolarHBondContact O-CG 3.28Å; N62-L66 PolarHBondContact O-N 3.1Å
63W86.6Confident87.6Confident30 Ų3072 Ų7211%0.11438%0.378CS..G310 helixtrans-52.3-53-176.3-178.1-101.1000112.6P56 W57 L60 S65 L66 Q71 V74 A75P56-W63 HydrophobicContact CB-CE3 4.02Å; P56-W63 HydrophobicContact CB-CH2 4.27Å; P56-W63 HydrophobicContact CB-CZ3 3.64Å; P56-W63 HydrophobicContact CG-CE3 4.49Å; P56-W63 HydrophobicContact CG-CH2 3.87Å; P56-W63 HydrophobicContact CG-CZ3 3.75Å; W57-W63 HydrophobicContact CB-CD2 3.96Å; W57-W63 HydrophobicContact CB-CG 3.91Å; W57-W63 HydrophobicContact CB-CZ2 4.34Å; W57-W63 HydrophobicContact CE3-CZ2 4.48Å; L60-W63 HydrophobicContact CB-CB 4.2Å; L60-W63 HydrophobicContact CD1-CE3 3.92Å; L60-W63 HydrophobicContact CD1-CZ3 4.3Å; L60-W63 WeakPolarHBondContact O-CB 3.44Å; L60-W63 PolarHBondContact O-N 3.29Å; L60-W63 VanDerWaalsContact O-N 3.1Å; W63-S65 PolarHBondContact O-N 3.36Å; W63-L66 HydrophobicContact CE3-CD1 4.36Å; W63-L66 WeakPolarHBondContact O-CB 3.43Å; W63-L66 PolarHBondContact O-N 3.47Å; W63-Q71 HydrophobicContact CD2-CG 4.21Å; W63-Q71 HydrophobicContact CE3-CG 4.48Å; W63-Q71 HydrophobicContact CH2-CB 3.8Å; W63-Q71 HydrophobicContact CH2-CG 4.21Å; W63-Q71 WeakPolarHBondContact CH2-O 3.27Å; W63-Q71 HydrophobicContact CZ2-CB 3.69Å; W63-Q71 HydrophobicContact CZ2-CG 3.9Å; W63-Q71 HydrophobicContact CZ3-CB 4.4Å; W63-Q71 HydrophobicContact CZ3-CG 4.48Å; W63-Q71 PolarHBondContact O-NE2 2.69Å; W63-V74 HydrophobicContact CZ3-CB 4.41Å; W63-V74 HydrophobicContact CZ3-CG1 4.07Å; W63-A75 HydrophobicContact CH2-CB 4.35Å
64D89.5Confident87.5Confident148 Ų14872.2 Ų72.279%0.79138%0.379SS*.G310 helixtrans-69.1-16.8-178.7-62.1-38.3000113.6N62N62-D64 PolarHBondContact O-N 3.31Å
65S90.8Very high87.5Confident105 Ų10569.8 Ų69.873%0.73437%0.371SS*.G310 helixtrans-83.1-14.3174.8-56.50000112.7N62 W63N62-S65 WeakPolarHBondContact O-CB 3.36Å; N62-S65 PolarHBondContact O-N 3.13Å; W63-S65 PolarHBondContact O-N 3.36Å
66L86Confident87.6Confident32 Ų3272.1 Ų72.117%0.16838%0.382CS..SBendtrans-78.7146.1175.1-58.9174.9000110A17 N62 W63 V70 Q71A17-L66 HydrophobicContact CB-CD1 4.39Å; N62-L66 WeakPolarHBondContact O-CG 3.28Å; N62-L66 PolarHBondContact O-N 3.1Å; W63-L66 HydrophobicContact CE3-CD1 4.36Å; W63-L66 WeakPolarHBondContact O-CB 3.43Å; W63-L66 PolarHBondContact O-N 3.47Å; L66-V70 HydrophobicContact CB-CB 4.37Å; L66-V70 HydrophobicContact CB-CG1 4.22Å; L66-V70 HydrophobicContact CD1-CG1 4.27Å; L66-V70 HydrophobicContact CD2-CG1 4.05Å; L66-V70 HydrophobicContact CG-CG1 4.4Å; L66-Q71 HydrophobicContact CB-CG 3.81Å; L66-Q71 PolarHBondContact O-NE2 2.83Å
67T91.1Very high87.7Confident83 Ų8375 Ų7551%0.50940%0.398SS..  trans-67.7151.9172.363.10000110.2S69 V70 Q71T67-S69 PolarHBondContact O-N 3.43Å; T67-S69 VanDerWaalsContact O-N 3.12Å; T67-V70 WeakPolarHBondContact O-CA 3.27Å; T67-V70 PolarHBondContact O-N 3.17Å; T67-V70 VanDerWaalsContact OG1-CG2 3.29Å; T67-V70 WeakPolarHBondContact OG1-CG2 3.49Å; T67-Q71 PolarHBondContact O-N 3.08Å
68P91Very high87.7Confident99 Ų9968.8 Ų68.864%0.64337%0.374SS*.Hα-helixtrans-54.8-35.1-179.2-28.935.7000113.9Q71 Q72P68-Q71 PolarHBondContact O-N 2.68Å; P68-Q72 WeakPolarHBondContact O-CB 3.46Å; P68-Q72 PolarHBondContact O-N 2.79Å
69S91.2Very high87.8Confident89 Ų8969.1 Ų69.162%0.62237%0.373SS*.Hα-helixtrans-63.2-43.4174.9-55.80000112.1T67 Q72 E73T67-S69 PolarHBondContact O-N 3.43Å; T67-S69 VanDerWaalsContact O-N 3.12Å; S69-Q72 PolarHBondContact O-N 2.88Å; S69-E73 WeakPolarHBondContact O-CB 3.29Å; S69-E73 PolarHBondContact O-N 3.04Å
70V88.7Confident88Confident51 Ų5168.7 Ų68.731%0.30938%0.383SS..Hα-helixtrans-69.4-39.2177.41760000110.8L66 T67 Q72 E73 V74L66-V70 HydrophobicContact CB-CB 4.37Å; L66-V70 HydrophobicContact CB-CG1 4.22Å; L66-V70 HydrophobicContact CD1-CG1 4.27Å; L66-V70 HydrophobicContact CD2-CG1 4.05Å; L66-V70 HydrophobicContact CG-CG1 4.4Å; T67-V70 WeakPolarHBondContact O-CA 3.27Å; T67-V70 PolarHBondContact O-N 3.17Å; T67-V70 VanDerWaalsContact OG1-CG2 3.29Å; T67-V70 WeakPolarHBondContact OG1-CG2 3.49Å; V70-Q72 PolarHBondContact O-N 2.88Å; V70-E73 PolarHBondContact O-N 3.35Å; V70-V74 HydrophobicContact CG1-CG2 4.14Å; V70-V74 WeakPolarHBondContact O-CB 3.24Å; V70-V74 VanDerWaalsContact O-CG2 3.23Å; V70-V74 WeakPolarHBondContact O-CG2 3.15Å; V70-V74 PolarHBondContact O-N 3.33Å
71Q89.6Confident88.1Confident42 Ų4270.7 Ų70.720%0.19639%0.392CS..Hα-helixtrans-58.4-47.2174-70.8179.4-10.100111.7W63 L66 T67 P68 E73 V74 A75W63-Q71 HydrophobicContact CD2-CG 4.21Å; W63-Q71 HydrophobicContact CE3-CG 4.48Å; W63-Q71 HydrophobicContact CH2-CB 3.8Å; W63-Q71 HydrophobicContact CH2-CG 4.21Å; W63-Q71 WeakPolarHBondContact CH2-O 3.27Å; W63-Q71 HydrophobicContact CZ2-CB 3.69Å; W63-Q71 HydrophobicContact CZ2-CG 3.9Å; W63-Q71 HydrophobicContact CZ3-CB 4.4Å; W63-Q71 HydrophobicContact CZ3-CG 4.48Å; W63-Q71 PolarHBondContact O-NE2 2.69Å; L66-Q71 HydrophobicContact CB-CG 3.81Å; L66-Q71 PolarHBondContact O-NE2 2.83Å; T67-Q71 PolarHBondContact O-N 3.08Å; P68-Q71 PolarHBondContact O-N 2.68Å; Q71-E73 VanDerWaalsContact C-N 3.33Å; Q71-E73 PolarHBondContact O-N 3.35Å; Q71-V74 PolarHBondContact O-N 2.91Å; Q71-A75 WeakPolarHBondContact O-CB 3.35Å; Q71-A75 PolarHBondContact O-N 3.38Å
72Q89.8Confident88.3Confident135 Ų13564.9 Ų64.963%0.63137%0.366SS*.Hα-helixtrans-61.4-43.8177.5-176.9177.5-1.800111.2P68 S69 V70 A75 Q76P68-Q72 WeakPolarHBondContact O-CB 3.46Å; P68-Q72 PolarHBondContact O-N 2.79Å; S69-Q72 PolarHBondContact O-N 2.88Å; V70-Q72 PolarHBondContact O-N 2.88Å; Q72-A75 PolarHBondContact O-N 2.93Å; Q72-Q76 VanDerWaalsContact O-CG 3.29Å; Q72-Q76 WeakPolarHBondContact O-CG 3.45Å; Q72-Q76 PolarHBondContact O-N 2.97Å
73E88Confident88.4Confident86 Ų8667.2 Ų67.240%0.40238%0.384SS..Hα-helixtrans-65.6-44.6179.5-158.8-177.8169.600112L20 S69 V70 Q71 A75 Q76 N77L20-E73 WeakPolarHBondContact CD1-OE1 3.29Å; L20-E73 HydrophobicContact CD2-CB 3.98Å; L20-E73 HydrophobicContact CD2-CG 3.53Å; L20-E73 WeakPolarHBondContact CD2-OE1 3.41Å; S69-E73 WeakPolarHBondContact O-CB 3.29Å; S69-E73 PolarHBondContact O-N 3.04Å; V70-E73 PolarHBondContact O-N 3.35Å; Q71-E73 VanDerWaalsContact C-N 3.33Å; Q71-E73 PolarHBondContact O-N 3.35Å; E73-A75 PolarHBondContact O-N 2.78Å; E73-Q76 PolarHBondContact O-N 3.09Å; E73-N77 WeakPolarHBondContact O-CB 3.39Å; E73-N77 PolarHBondContact O-N 3.35Å; E73-N77 PolarHBondContact O-ND2 2.93Å
74V85Confident88.3Confident4 Ų469.2 Ų69.22%0.02440%0.403CS..Hα-helixtrans-60-46.5174.6170.20000110.7L60 W63 V70 Q71 Q76 N77 F78L60-V74 HydrophobicContact CD1-CG1 4.28Å; W63-V74 HydrophobicContact CZ3-CB 4.41Å; W63-V74 HydrophobicContact CZ3-CG1 4.07Å; V70-V74 HydrophobicContact CG1-CG2 4.14Å; V70-V74 WeakPolarHBondContact O-CB 3.24Å; V70-V74 VanDerWaalsContact O-CG2 3.23Å; V70-V74 WeakPolarHBondContact O-CG2 3.15Å; V70-V74 PolarHBondContact O-N 3.33Å; Q71-V74 PolarHBondContact O-N 2.91Å; V74-Q76 PolarHBondContact O-N 3.04Å; V74-N77 PolarHBondContact O-N 3Å; V74-F78 HydrophobicContact CG1-CD1 4.28Å; V74-F78 HydrophobicContact CG1-CD2 4.03Å; V74-F78 HydrophobicContact CG1-CE1 4.02Å; V74-F78 HydrophobicContact CG1-CE2 3.75Å; V74-F78 HydrophobicContact CG1-CG 4.28Å; V74-F78 HydrophobicContact CG1-CZ 3.73Å; V74-F78 WeakPolarHBondContact O-CB 3.34Å; V74-F78 WeakPolarHBondContact O-CD1 3.31Å; V74-F78 VanDerWaalsContact O-CG 3.31Å; V74-F78 WeakPolarHBondContact O-CG 3.46Å; V74-F78 PolarHBondContact O-N 3.42Å
75A88.5Confident87.9Confident24 Ų2462.5 Ų62.520%0.19837%0.367CS..Hα-helixtrans-61.5-43.9178.600000112.2W63 Q71 Q72 E73 F78 L79W63-A75 HydrophobicContact CH2-CB 4.35Å; Q71-A75 WeakPolarHBondContact O-CB 3.35Å; Q71-A75 PolarHBondContact O-N 3.38Å; Q72-A75 PolarHBondContact O-N 2.93Å; E73-A75 PolarHBondContact O-N 2.78Å; A75-F78 PolarHBondContact O-N 3.27Å; A75-L79 WeakPolarHBondContact O-CB 3.21Å; A75-L79 VanDerWaalsContact O-CG 3.28Å; A75-L79 WeakPolarHBondContact O-CG 3.44Å; A75-L79 PolarHBondContact O-N 3.05Å
76Q89.3Confident87.5Confident116 Ų11662.2 Ų62.254%0.54235%0.352SS..Hα-helixtrans-64.4-43.8177.7-71.8-62.8-32.900112Q72 E73 V74 F78 L79 S80Q72-Q76 VanDerWaalsContact O-CG 3.29Å; Q72-Q76 WeakPolarHBondContact O-CG 3.45Å; Q72-Q76 PolarHBondContact O-N 2.97Å; E73-Q76 PolarHBondContact O-N 3.09Å; V74-Q76 PolarHBondContact O-N 3.04Å; Q76-F78 VanDerWaalsContact C-N 3.34Å; Q76-F78 PolarHBondContact O-N 2.48Å; Q76-L79 PolarHBondContact O-N 3.26Å; Q76-S80 PolarHBondContact O-N 2.71Å
77N86.9Confident87.3Confident63 Ų6364.5 Ų64.534%0.33737%0.368SS..Hα-helixtrans-62.4-43.5177.1-70.7-21.5000111.2E73 V74 S80 E81E73-N77 WeakPolarHBondContact O-CB 3.39Å; E73-N77 PolarHBondContact O-N 3.35Å; E73-N77 PolarHBondContact O-ND2 2.93Å; V74-N77 PolarHBondContact O-N 3Å; N77-S80 PolarHBondContact O-N 3.16Å; N77-E81 WeakPolarHBondContact O-CB 3.36Å; N77-E81 PolarHBondContact O-N 2.81Å
78F89.1Confident86.5Confident2 Ų265.1 Ų65.11%0.00937%0.365CS..Hα-helixtrans-66.8-38178.5-76.58.5000112.8L23 V52 L53 P56 L60 V74 A75 Q76 E81 L82L23-F78 HydrophobicContact CD2-CE2 4.24Å; L23-F78 HydrophobicContact CD2-CZ 3.66Å; L23-F78 HydrophobicContact CG-CZ 4.4Å; V52-F78 HydrophobicContact CG1-CE2 4.28Å; L53-F78 HydrophobicContact CB-CB 4.18Å; L53-F78 HydrophobicContact CD2-CB 3.8Å; L53-F78 HydrophobicContact CD2-CD1 3.74Å; L53-F78 HydrophobicContact CD2-CD2 3.93Å; L53-F78 HydrophobicContact CD2-CE1 4.27Å; L53-F78 HydrophobicContact CD2-CE2 4.43Å; L53-F78 HydrophobicContact CD2-CG 3.56Å; L53-F78 WeakPolarHBondContact O-CB 3.34Å; P56-F78 HydrophobicContact CB-CD2 3.75Å; P56-F78 HydrophobicContact CB-CE2 3.83Å; P56-F78 HydrophobicContact CG-CD2 4.05Å; L60-F78 HydrophobicContact CD1-CE2 4.06Å; L60-F78 HydrophobicContact CD1-CZ 4.48Å; V74-F78 HydrophobicContact CG1-CD1 4.28Å; V74-F78 HydrophobicContact CG1-CD2 4.03Å; V74-F78 HydrophobicContact CG1-CE1 4.02Å; V74-F78 HydrophobicContact CG1-CE2 3.75Å; V74-F78 HydrophobicContact CG1-CG 4.28Å; V74-F78 HydrophobicContact CG1-CZ 3.73Å; V74-F78 WeakPolarHBondContact O-CB 3.34Å; V74-F78 WeakPolarHBondContact O-CD1 3.31Å; V74-F78 VanDerWaalsContact O-CG 3.31Å; V74-F78 WeakPolarHBondContact O-CG 3.46Å; V74-F78 PolarHBondContact O-N 3.42Å; A75-F78 PolarHBondContact O-N 3.27Å; Q76-F78 VanDerWaalsContact C-N 3.34Å; Q76-F78 PolarHBondContact O-N 2.48Å; F78-E81 PolarHBondContact O-N 2.85Å; F78-L82 VanDerWaalsContact O-CB 3.25Å; F78-L82 WeakPolarHBondContact O-CB 2.93Å; F78-L82 PolarHBondContact O-N 3Å
79L89.4Confident85.5Confident87 Ų8762.2 Ų62.246%0.45534%0.343SS..Hα-helixtrans-65.8-40.5174.5-73.3172.9000112A75 Q76 E81 L82 S83A75-L79 WeakPolarHBondContact O-CB 3.21Å; A75-L79 VanDerWaalsContact O-CG 3.28Å; A75-L79 WeakPolarHBondContact O-CG 3.44Å; A75-L79 PolarHBondContact O-N 3.05Å; Q76-L79 PolarHBondContact O-N 3.26Å; L79-E81 VanDerWaalsContact C-N 3.33Å; L79-L82 PolarHBondContact O-N 2.97Å; L79-S83 PolarHBondContact O-N 3.42Å
80S87.7Confident84.4Confident86 Ų8661 Ų6160%0.60134%0.339SS*.Hα-helixtrans-61.4-44.6173.9-174.60000111Q76 N77 S83 S84Q76-S80 PolarHBondContact O-N 2.71Å; N77-S80 PolarHBondContact O-N 3.16Å; S80-S83 WeakPolarHBondContact O-CB 2.99Å; S80-S83 PolarHBondContact O-N 3.49Å; S80-S84 PolarHBondContact O-N 2.88Å; S80-S84 VanDerWaalsContact O-N 3.11Å
81E85Confident83Confident49 Ų4963.8 Ų63.823%0.22935%0.351CS..Hα-helixtrans-65.8-43.3177.4-174.1168.2-177.600112.1Y49 L53 N77 F78 L79 S83 S84 V85Y49-E81 PolarHBondContact OH-OE1 2.97Å; Y49-E81 PolarHBondContact OH-OE2 3.36Å; L53-E81 HydrophobicContact CD1-CB 4.19Å; L53-E81 HydrophobicContact CD1-CG 3.93Å; N77-E81 WeakPolarHBondContact O-CB 3.36Å; N77-E81 PolarHBondContact O-N 2.81Å; F78-E81 PolarHBondContact O-N 2.85Å; L79-E81 VanDerWaalsContact C-N 3.33Å; E81-S83 VanDerWaalsContact C-N 3.26Å; E81-S83 PolarHBondContact O-N 2.9Å; E81-S84 WeakPolarHBondContact O-CA 3.45Å; E81-S84 VanDerWaalsContact O-CB 3.32Å; E81-S84 WeakPolarHBondContact O-CB 3.23Å; E81-S84 PolarHBondContact O-N 3.36Å; E81-V85 HydrophobicContact CG-CG2 4.42Å; E81-V85 WeakPolarHBondContact O-CG2 3.23Å; E81-V85 PolarHBondContact O-N 3.47Å
82L86.6Confident81.5Confident9 Ų965.4 Ų65.45%0.04736%0.364CS..Hα-helixtrans-59.1-40176.4-178.161.9000111.2Q50 L53 E54 F78 L79 S84 K86Q50-L82 HydrophobicContact CB-CD1 3.85Å; Q50-L82 HydrophobicContact CG-CD1 4Å; L53-L82 HydrophobicContact CB-CB 3.99Å; L53-L82 HydrophobicContact CB-CD1 4.28Å; L53-L82 HydrophobicContact CD1-CB 4.08Å; L53-L82 HydrophobicContact CD1-CD1 4.39Å; E54-L82 HydrophobicContact CB-CD2 4Å; E54-L82 HydrophobicContact CG-CD2 4.47Å; F78-L82 VanDerWaalsContact O-CB 3.25Å; F78-L82 WeakPolarHBondContact O-CB 2.93Å; F78-L82 PolarHBondContact O-N 3Å; L79-L82 PolarHBondContact O-N 2.97Å; L82-S84 VanDerWaalsContact C-N 3.34Å; L82-K86 HydrophobicContact CD1-CD 4.38Å; L82-K86 HydrophobicContact CD1-CG 4.41Å; L82-K86 HydrophobicContact CG-CD 4.2Å; L82-K86 WeakPolarHBondContact O-CB 3.39Å; L82-K86 VanDerWaalsContact O-CG 3.31Å; L82-K86 WeakPolarHBondContact O-CG 3.07Å; L82-K86 PolarHBondContact O-N 3.4Å
83S87.5Confident79.7Confident72 Ų7266.3 Ų66.350%0.50337%0.368SS..Hα-helixtrans-63.2-40.8174.4-172.70000111.8L79 S80 E81 T87L79-S83 PolarHBondContact O-N 3.42Å; S80-S83 WeakPolarHBondContact O-CB 2.99Å; S80-S83 PolarHBondContact O-N 3.49Å; E81-S83 VanDerWaalsContact C-N 3.26Å; E81-S83 PolarHBondContact O-N 2.9Å; S83-T87 WeakPolarHBondContact O-CB 3.34Å; S83-T87 PolarHBondContact O-N 2.95Å; S83-T87 PolarHBondContact O-OG1 3.42Å
84S84.1Confident78Confident72 Ų7265.5 Ų65.550%0.50338%0.383SS..Hα-helixtrans-62.7-50.7176.2-168.30000111.2S80 E81 L82 K86 T87 E88S80-S84 PolarHBondContact O-N 2.88Å; S80-S84 VanDerWaalsContact O-N 3.11Å; E81-S84 WeakPolarHBondContact O-CA 3.45Å; E81-S84 VanDerWaalsContact O-CB 3.32Å; E81-S84 WeakPolarHBondContact O-CB 3.23Å; E81-S84 PolarHBondContact O-N 3.36Å; L82-S84 VanDerWaalsContact C-N 3.34Å; S84-K86 PolarHBondContact O-N 3.48Å; S84-T87 WeakPolarHBondContact O-CB 3.37Å; S84-T87 PolarHBondContact O-N 2.82Å; S84-T87 VanDerWaalsContact O-N 3.15Å; S84-E88 PolarHBondContact O-N 2.88Å
85V81.5Confident76.4Confident6 Ų670.7 Ų70.74%0.03641%0.414CS..Hα-helixtrans-59.1-45.7178.8171.30000111.3Q44 Y49 Q50 E81 T87 E88 M89Q44-V85 WeakPolarHBondContact O-CG1 3.44Å; Y49-V85 HydrophobicContact CE1-CG2 4.39Å; Q50-V85 HydrophobicContact CG-CG1 4.17Å; E81-V85 HydrophobicContact CG-CG2 4.42Å; E81-V85 WeakPolarHBondContact O-CG2 3.23Å; E81-V85 PolarHBondContact O-N 3.47Å; V85-T87 VanDerWaalsContact C-N 3.31Å; V85-T87 PolarHBondContact O-N 3.23Å; V85-E88 PolarHBondContact O-N 3.19Å; V85-M89 HydrophobicContact CG1-CE 3.91Å; V85-M89 HydrophobicContact CG1-SD 4.34Å; V85-M89 WeakPolarHBondContact O-CG 3.46Å; V85-M89 PolarHBondContact O-N 3.5Å
86K82.1Confident74.4Confident100 Ų10076 Ų7644%0.43543%0.433SS..Hα-helixtrans-61.6-38.4177-77.4178.4177.2175.60112.5L82 S84 M89 A90L82-K86 HydrophobicContact CD1-CD 4.38Å; L82-K86 HydrophobicContact CD1-CG 4.41Å; L82-K86 HydrophobicContact CG-CD 4.2Å; L82-K86 WeakPolarHBondContact O-CB 3.39Å; L82-K86 VanDerWaalsContact O-CG 3.31Å; L82-K86 WeakPolarHBondContact O-CG 3.07Å; L82-K86 PolarHBondContact O-N 3.4Å; S84-K86 PolarHBondContact O-N 3.48Å; K86-M89 HydrophobicContact CG-CE 4.31Å; K86-A90 WeakPolarHBondContact O-CB 3.46Å; K86-A90 PolarHBondContact O-N 3.18Å; K86-A90 VanDerWaalsContact O-N 3.09Å
87T80.5Confident72.5Confident79 Ų7974.2 Ų74.249%0.48543%0.427SS..Hα-helixtrans-66.8-44.8177.1-56.70000110.9S83 S84 V85 A90 I91S83-T87 WeakPolarHBondContact O-CB 3.34Å; S83-T87 PolarHBondContact O-N 2.95Å; S83-T87 PolarHBondContact O-OG1 3.42Å; S84-T87 WeakPolarHBondContact O-CB 3.37Å; S84-T87 PolarHBondContact O-N 2.82Å; S84-T87 VanDerWaalsContact O-N 3.15Å; V85-T87 VanDerWaalsContact C-N 3.31Å; V85-T87 PolarHBondContact O-N 3.23Å; T87-A90 PolarHBondContact O-N 3.2Å; T87-I91 HydrophobicContact CG2-CD1 4.09Å; T87-I91 VanDerWaalsContact O-CG1 3.28Å; T87-I91 WeakPolarHBondContact O-CG1 3.38Å; T87-I91 PolarHBondContact O-N 3Å
88E75.7Confident70.9Confident96 Ų9676.2 Ų76.245%0.44944%0.443SS..Hα-helixtrans-63.4-42.6179.2-171.3175.9165.500112.8S84 V85 I91 T92S84-E88 PolarHBondContact O-N 2.88Å; V85-E88 PolarHBondContact O-N 3.19Å; E88-I91 PolarHBondContact O-N 3.01Å; E88-T92 PolarHBondContact O-N 2.87Å; E88-T92 PolarHBondContact O-OG1 3.45Å
89M68.9Low69.3Low38 Ų3879.6 Ų79.619%0.18747%0.467CS..Hα-helixtrans-66.2-38.9175.3-70.3-175.5-5700112.5Q50 V85 K86 I91 T92 Q93Q50-M89 PolarHBondContact NE2-SD 2.93Å; Q50-M89 VanDerWaalsContact NE2-SD 3.39Å; V85-M89 HydrophobicContact CG1-CE 3.91Å; V85-M89 HydrophobicContact CG1-SD 4.34Å; V85-M89 WeakPolarHBondContact O-CG 3.46Å; V85-M89 PolarHBondContact O-N 3.5Å; K86-M89 HydrophobicContact CG-CE 4.31Å; M89-I91 VanDerWaalsContact C-N 3.3Å; M89-I91 PolarHBondContact O-N 2.97Å; M89-T92 PolarHBondContact O-N 2.92Å; M89-Q93 WeakPolarHBondContact O-CG 3.36Å; M89-Q93 PolarHBondContact O-N 3.13Å
90A67.7Low67.5Low65 Ų6582.7 Ų82.754%0.53748%0.481SS..Hα-helixtrans-63.3-38176.600000111.8K86 T87 G94K86-A90 WeakPolarHBondContact O-CB 3.46Å; K86-A90 PolarHBondContact O-N 3.18Å; K86-A90 VanDerWaalsContact O-N 3.09Å; T87-A90 PolarHBondContact O-N 3.2Å; A90-G94 PolarHBondContact O-N 3.48Å; A90-G94 VanDerWaalsContact O-N 3.1Å
91I59.8Low65.7Low108 Ų10884.9 Ų84.955%0.55448%0.48SS*.Hα-helixtrans-63.8-46.3174.8-66.9163.4000110.3T87 E88 M89 Q93 G94 V95T87-I91 HydrophobicContact CG2-CD1 4.09Å; T87-I91 VanDerWaalsContact O-CG1 3.28Å; T87-I91 WeakPolarHBondContact O-CG1 3.38Å; T87-I91 PolarHBondContact O-N 3Å; E88-I91 PolarHBondContact O-N 3.01Å; M89-I91 VanDerWaalsContact C-N 3.3Å; M89-I91 PolarHBondContact O-N 2.97Å; I91-Q93 PolarHBondContact O-N 2.96Å; I91-G94 PolarHBondContact O-N 2.82Å; I91-G94 VanDerWaalsContact O-N 3.15Å; I91-V95 WeakPolarHBondContact O-CG2 3.38Å; I91-V95 PolarHBondContact O-N 3.48Å
92T57.6Low63.9Low77 Ų7787.9 Ų87.947%0.47250%0.502SS..Hα-helixtrans-65.2-39-177.4-52.20000112E88 M89 G94 V95 F96E88-T92 PolarHBondContact O-N 2.87Å; E88-T92 PolarHBondContact O-OG1 3.45Å; M89-T92 PolarHBondContact O-N 2.92Å; T92-G94 VanDerWaalsContact C-N 3.34Å; T92-V95 PolarHBondContact O-N 3.45Å; T92-F96 PolarHBondContact O-N 3.48Å
93Q53.7Low62Low154 Ų15494.4 Ų94.472%0.7254%0.537SS*.Hα-helixtrans-68.8-30.6174.4-69.7-172.610.700113M89 I91 V95 F96M89-Q93 WeakPolarHBondContact O-CG 3.36Å; M89-Q93 PolarHBondContact O-N 3.13Å; I91-Q93 PolarHBondContact O-N 2.96Å; Q93-V95 VanDerWaalsContact C-N 3.26Å; Q93-V95 PolarHBondContact O-N 3.44Å; Q93-F96 PolarHBondContact O-N 3.42Å
94G51.2Low59.8Low69 Ų6997.9 Ų97.971%0.71155%0.545SS*.Hα-helixtrans-70.2-19.6174.400000114.4A90 I91 T92A90-G94 PolarHBondContact O-N 3.48Å; A90-G94 VanDerWaalsContact O-N 3.1Å; I91-G94 PolarHBondContact O-N 2.82Å; I91-G94 VanDerWaalsContact O-N 3.15Å; T92-G94 VanDerWaalsContact C-N 3.34Å
95V51.7Low57.6Low112 Ų112102.7 Ų102.768%0.67957%0.565SS**Hα-helixtrans-94.4-17178.1178.20000112.2I91 T92 Q93 D97I91-V95 WeakPolarHBondContact O-CG2 3.38Å; I91-V95 PolarHBondContact O-N 3.48Å; T92-V95 PolarHBondContact O-N 3.45Å; Q93-V95 VanDerWaalsContact C-N 3.26Å; Q93-V95 PolarHBondContact O-N 3.44Å; V95-D97 VanDerWaalsContact C-N 3.34Å; V95-D97 PolarHBondContact O-N 2.92Å
96F46.1Very low55.7Low137 Ų137107.4 Ų107.460%0.60159%0.594SS**  trans-70.890.2173.9-106.8-88000110.1T92 Q93 P98 F101T92-F96 PolarHBondContact O-N 3.48Å; Q93-F96 PolarHBondContact O-N 3.42Å; F96-P98 WeakPolarHBondContact O-CD 3.5Å; F96-F101 AromaticContact CE1-CE2 3.94Å; F96-F101 HydrophobicContact CE1-CE2 3.94Å
97D50.6Low53.3Low77 Ų77106.7 Ų106.741%0.41260%0.601SS.*  trans-83.8105.8163.2-170.7-20.2000108.4V95 S99 M100V95-D97 VanDerWaalsContact C-N 3.34Å; V95-D97 PolarHBondContact O-N 2.92Å; D97-S99 PolarHBondContact O-N 3.29Å; D97-S99 WeakPolarHBondContact OD1-CB 2.82Å; D97-S99 PolarHBondContact OD1-N 3.02Å; D97-S99 PolarHBondContact OD1-OG 3.02Å; D97-S99 PolarHBondContact OD2-OG 3.36Å; D97-S99 VanDerWaalsContact OD2-OG 3.08Å; D97-M100 HydrophobicContact CB-CG 3.91Å; D97-M100 WeakPolarHBondContact O-CB 3.29Å; D97-M100 PolarHBondContact O-N 2.85Å
98P51.8Low51.1Low105 Ų105108.9 Ų108.968%0.68262%0.618SS**G310 helixtrans-60.6-15.4178.423-31.3000113F96 M100 F101F96-P98 WeakPolarHBondContact O-CD 3.5Å; P98-M100 VanDerWaalsContact C-N 3.26Å; P98-M100 PolarHBondContact O-N 3.24Å; P98-F101 PolarHBondContact O-N 3.07Å
99S55.4Low48.9Very low74 Ų74110.2 Ų110.252%0.51763%0.629SS.*G310 helixtrans-71.3-18.1174.775.10000113.8D97 F101D97-S99 PolarHBondContact O-N 3.29Å; D97-S99 WeakPolarHBondContact OD1-CB 2.82Å; D97-S99 PolarHBondContact OD1-N 3.02Å; D97-S99 PolarHBondContact OD1-OG 3.02Å; D97-S99 PolarHBondContact OD2-OG 3.36Å; D97-S99 VanDerWaalsContact OD2-OG 3.08Å; S99-F101 PolarHBondContact O-N 3.22Å
100M52.3Low47.3Very low152 Ų152115.1 Ų115.175%0.74966%0.661SS**G310 helixtrans-71.4-18176.8-62.2-96.3-148.600112.9D97 P98D97-M100 HydrophobicContact CB-CG 3.91Å; D97-M100 WeakPolarHBondContact O-CB 3.29Å; D97-M100 PolarHBondContact O-N 2.85Å; P98-M100 VanDerWaalsContact C-N 3.26Å; P98-M100 PolarHBondContact O-N 3.24Å
101F49.9Very low45.6Very low131 Ų131115.9 Ų115.958%0.57567%0.667SS**G310 helixtrans-97.211-178.1-80.4-83.5000114.5F96 P98 S99 N103 Q104F96-F101 AromaticContact CE1-CE2 3.94Å; F96-F101 HydrophobicContact CE1-CE2 3.94Å; P98-F101 PolarHBondContact O-N 3.07Å; S99-F101 PolarHBondContact O-N 3.22Å; F101-N103 PolarHBondContact O-N 3.1Å; F101-Q104 PolarHBondContact O-N 3.28Å
102V48Very low44.4Very low113 Ų113115.8 Ų115.869%0.68568%0.682SS**THydrogen-bonded Turntrans-65.1-0.6176.3176.10000113.3
103N45.9Very low43.1Very low146 Ų146117.8 Ų117.878%0.78170%0.7SS**THydrogen-bonded Turntrans-138.973.7166.7-75.4-80.2000111.7F101F101-N103 PolarHBondContact O-N 3.1Å
104Q41.4Very low42.1Very low144 Ų144113.6 Ų113.667%0.67370%0.698SS**  trans-156.882.3147.1-112.3167.755.900108.8F101 V106F101-Q104 PolarHBondContact O-N 3.28Å; Q104-V106 HydrophobicContact CB-CG2 4.06Å; Q104-V106 HydrophobicContact CG-CG2 3.9Å; Q104-V106 PolarHBondContact O-N 3.13Å
105D38.1Very low41.3Very low173 Ų173119.4 Ų119.493%0.92571%0.706SS**  trans-57.473.9147.6-77.4-61.8000108.1S107D105-S107 PolarHBondContact O-N 3.01Å; D105-S107 VanDerWaalsContact O-N 3.12Å
106V40.7Very low40.5Very low106 Ų106122.3 Ų122.364%0.64272%0.718SS**  trans-82.379.6158.4-178.80000104.7Q104 C108Q104-V106 HydrophobicContact CB-CG2 4.06Å; Q104-V106 HydrophobicContact CG-CG2 3.9Å; Q104-V106 PolarHBondContact O-N 3.13Å; V106-C108 PolarHBondContact O-N 2.96Å; V106-C108 VanDerWaalsContact O-N 3.08Å
107S33.3Very low40Very low85 Ų85119 Ų11959%0.59472%0.723SS**  trans-53.7115.4159.8-155.90000105.9D105 D109D105-S107 PolarHBondContact O-N 3.01Å; D105-S107 VanDerWaalsContact O-N 3.12Å; S107-D109 PolarHBondContact O-N 3.34Å
108C33.4Very low39.2Very low124 Ų124122.7 Ų122.784%0.83874%0.743SS**SBendtrans-72.560.1168.154.10000108.9V106V106-C108 PolarHBondContact O-N 2.96Å; V106-C108 VanDerWaalsContact O-N 3.08Å
109D30.1Very low38.4Very low125 Ų125123.2 Ų123.267%0.66874%0.744SS**  trans-137.9132.1171.4-90.3-42.7000108S107S107-D109 PolarHBondContact O-N 3.34Å
110T34.9Very low37.6Very low141 Ų141126.1 Ų126.187%0.86576%0.759SS**  trans92.1121.3170-36.60000114
111A32.6Very low37Very low81 Ų81126.5 Ų126.567%0.66976%0.758SS**  cis-169.7160.8-4.700000108.2S113A111-S113 PolarHBondContact O-N 2.9Å
112A33.5Very low36.3Very low105 Ų105128 Ų12887%0.86877%0.773SS**  trans-43.7117.7150.900000111.4
113S30.5Very low36.2Very low120 Ų120131 Ų13184%0.83978%0.779SS**  trans-165.1133.7151.2-167.50000111.1A111A111-S113 PolarHBondContact O-N 2.9Å
114G33.5Very low36.1Very low66 Ų66128 Ų12868%0.6877%0.774SS**  trans130.649.4-178.500000111
115Q33.4Very low35.7Very low191 Ų191128.4 Ų128.489%0.89378%0.781SS**  44.993.2100.9-75.3-171.4-28.700112.7
116N36.1Very low35.7Very low172 Ų172126.4 Ų126.492%0.9278%0.775SS**  trans-101.6110.6154.4-145.9-6.2000108.1
117G34.7Very low35.8Very low68 Ų68134.2 Ų134.270%0.70180%0.8SS**  trans24.2103.9165.500000120.4
118N34.4Very low36Very low155 Ų155136.7 Ų136.783%0.82981%0.811SS**  trans-101.1110.3141.1-165.42.7000108.4T120N118-T120 PolarHBondContact O-N 2.79Å
119T35.2Very low36.1Very low115 Ų115137.3 Ų137.371%0.70681%0.809SS**  trans-51.5112.8177.6-50.10000110.5E121T119-E121 HydrophobicContact CG2-CG 3.96Å
120T39Very low36.4Very low136 Ų136138 Ų13883%0.83482%0.817SS**  trans-97.798.1160.7-43.80000106.9N118 N122N118-T120 PolarHBondContact O-N 2.79Å; T120-N122 PolarHBondContact O-N 2.93Å; T120-N122 VanDerWaalsContact O-N 3.12Å
121E38.3Very low36.5Very low159 Ų159137.8 Ų137.874%0.74381%0.814SS**  trans-58.1108.5171.6-68.1175.113000109.2T119 H123T119-E121 HydrophobicContact CG2-CG 3.96Å; E121-H123 PolarHBondContact O-N 3.12Å
122N36.3Very low36.8Very low163 Ų163141.4 Ų141.487%0.87282%0.823SS**  trans-88.988.4169.6-146.3-14.6000106.9T120T120-N122 PolarHBondContact O-N 2.93Å; T120-N122 VanDerWaalsContact O-N 3.12Å
123H44.5Very low37Very low176 Ų176143.8 Ų143.882%0.81582%0.82SS**PPolyproline II helixtrans-74.2130.4172.7-112.4141.1000109.7E121E121-H123 PolarHBondContact O-N 3.12Å
124A44.2Very low37.5Very low82 Ų82145.5 Ų145.568%0.67882%0.819SS**PPolyproline II helixtrans-59.6139-16900000114.2T126A124-T126 PolarHBondContact O-N 3.02Å
125N34.1Very low37.8Very low154 Ų154151.6 Ų151.682%0.82483%0.83SS**PPolyproline II helixtrans-51.6122.2150.5-179.54.3000110.2
126T37.6Very low38.1Very low130 Ų130148.3 Ų148.380%0.79882%0.824SS**  trans-156.8115149.9-22.30000112.3A124A124-T126 PolarHBondContact O-N 3.02Å
127K43.3Very low38.3Very low270 Ų270146.2 Ų146.2100%1.17482%0.816SS**  trans91.60156.9-151.3177.8-174.8-175.50119.1

Retrieved 127 of 127 residues in 194.7 ms (Link to these results)