A0A087XQG2_POEFO Loading...

Transmembrane p24 trafficking protein 10

AlphaFold DB , UniProt , Accession A0A087XQG2, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 209 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
1M44.9Very low51.3Low218 Ų218123.5 Ų123.5100%1.07468%0.676SS**  0-33.90-91.7172.8-172.300114.4A3M1-A3 PolarHBondContact O-N 2.84Å
2V46Very low51.6Low114 Ų114124.2 Ų124.269%0.69168%0.678SS**Hα-helixtrans-69-29.9-176.6-1760000114.1
3A46.9Very low51.9Low76 Ų76125.6 Ų125.663%0.62868%0.683SS**Hα-helixtrans-73.5-33.2-179.800000114.1M1 R6 F7M1-A3 PolarHBondContact O-N 2.84Å; A3-R6 PolarHBondContact O-N 2.9Å; A3-F7 PolarHBondContact O-N 3.29Å
4M51.6Low52.2Low157 Ų157122.9 Ų122.977%0.77368%0.675SS**Hα-helixtrans-69.9-35.3177.5-83.9-77.9-179.500112.1R6 F7 A8M4-R6 VanDerWaalsContact C-N 3.34Å; M4-R6 PolarHBondContact O-N 3.36Å; M4-F7 PolarHBondContact O-N 3.07Å; M4-A8 PolarHBondContact O-N 2.93Å
5A52.2Low52.6Low63 Ų63122.7 Ų122.752%0.52168%0.679SS.*Hα-helixtrans-67.2-32.8177.400000112.9A9A5-A9 WeakPolarHBondContact O-CB 3.18Å; A5-A9 PolarHBondContact O-N 2.83Å; A5-A9 VanDerWaalsContact O-N 3.11Å
6R52.7Low52.8Low190 Ų190124.7 Ų124.772%0.71769%0.687SS**Hα-helixtrans-73.1-34.4176.2-71.8-166.2171.5-164-2.3113A3 M4 L10A3-R6 PolarHBondContact O-N 2.9Å; M4-R6 VanDerWaalsContact C-N 3.34Å; M4-R6 PolarHBondContact O-N 3.36Å; R6-L10 PolarHBondContact O-N 3.21Å
7F51.9Low53.3Low152 Ų152126.1 Ų126.167%0.66769%0.691SS**Hα-helixtrans-71.4-38.1173.8-99-86.1000112.3A3 M4 L10 L11A3-F7 PolarHBondContact O-N 3.29Å; M4-F7 PolarHBondContact O-N 3.07Å; F7-L10 PolarHBondContact O-N 3.02Å; F7-L11 PolarHBondContact O-N 3.23Å
8A54.5Low53.5Low52 Ų52128.3 Ų128.343%0.4370%0.696SS.*Hα-helixtrans-65.2-38.7174.700000112.5M4 L10 L11 L12M4-A8 PolarHBondContact O-N 2.93Å; A8-L10 VanDerWaalsContact C-N 3.32Å; A8-L10 PolarHBondContact O-N 3.12Å; A8-L11 PolarHBondContact O-N 3.02Å; A8-L12 PolarHBondContact O-N 3.13Å
9A54.1Low53.7Low60 Ų60126.9 Ų126.950%0.49670%0.697SS.*Hα-helixtrans-67.2-30.2176.400000113.3A5A5-A9 WeakPolarHBondContact O-CB 3.18Å; A5-A9 PolarHBondContact O-N 2.83Å; A5-A9 VanDerWaalsContact O-N 3.11Å
10L54.6Low54Low138 Ų138126.5 Ų126.572%0.72370%0.697SS**Hα-helixtrans-75-27.1176.3-126.390.8000113R6 F7 A8R6-L10 PolarHBondContact O-N 3.21Å; F7-L10 PolarHBondContact O-N 3.02Å; A8-L10 VanDerWaalsContact C-N 3.32Å; A8-L10 PolarHBondContact O-N 3.12Å
11L55.3Low54.5Low138 Ų138126.1 Ų126.172%0.72370%0.699SS**Hα-helixtrans-83.2-17.4179.1-97148.3000113.8F7 A8 P14F7-L11 PolarHBondContact O-N 3.23Å; A8-L11 PolarHBondContact O-N 3.02Å; L11-P14 WeakPolarHBondContact O-CD 3.47Å
12L54.2Low56.2Low132 Ų132118.1 Ų118.169%0.69166%0.664SS**SBendtrans-90.2-2.8177.3-93.6145.4000113.9A8A8-L12 PolarHBondContact O-N 3.13Å
13L56.3Low58.3Low143 Ų143116 Ų11675%0.74965%0.648SS**THydrogen-bonded Turntrans-77.7-14-175.4-134.579.9000117.3V15L13-V15 PolarHBondContact O-N 3.02Å
14P55.9Low60.4Low88 Ų88116 Ų11657%0.57164%0.644SS**THydrogen-bonded Turntrans-89.38.2-177.634.4-31.1000114.8L11 L16L11-P14 WeakPolarHBondContact O-CD 3.47Å; P14-L16 PolarHBondContact O-N 3.35Å
15V58.3Low62.4Low120 Ų120110.5 Ų110.573%0.72762%0.616SS**SBendtrans-9526-172.6-167.20000113.6L13L13-V15 PolarHBondContact O-N 3.02Å
16L56.1Low64.4Low154 Ų154113.3 Ų113.381%0.80662%0.617SS**  trans-133.132.4-180-79.7159.2000112.4P14 E18P14-L16 PolarHBondContact O-N 3.35Å; L16-E18 VanDerWaalsContact C-N 3.33Å; L16-E18 PolarHBondContact O-N 2.92Å
17I60.2Low66.3Low149 Ų149104.3 Ų104.376%0.76458%0.582SS**  trans-88.183.1167.8-51.2175.8000106.9S19I17-S19 PolarHBondContact O-N 3.4Å
18E57.8Low68.1Low165 Ų16599.1 Ų99.177%0.77156%0.564SS**  trans-65.6111.1158.8-76-178.8175.900107.1L16 V20L16-E18 VanDerWaalsContact C-N 3.33Å; L16-E18 PolarHBondContact O-N 2.92Å; E18-V20 PolarHBondContact O-N 3.26Å; E18-V20 VanDerWaalsContact O-N 3.07Å
19S57.4Low69.8Low102 Ų10298.1 Ų98.171%0.71355%0.552SS**  trans-74.195.8171.556.70000108.4I17I17-S19 PolarHBondContact O-N 3.4Å
20V58.5Low71.4Confident118 Ų11899.1 Ų99.172%0.71555%0.55SS*.  trans-87.6105.1165-176.40000107.2E18 S22E18-V20 PolarHBondContact O-N 3.26Å; E18-V20 VanDerWaalsContact O-N 3.07Å; V20-S22 PolarHBondContact O-N 3.35Å
21V66Low73.1Confident119 Ų11994 Ų9472%0.72153%0.525SS*.  trans-9190.3172.5-175.60000107.1
22S79.1Confident75Confident51 Ų5194.9 Ų94.936%0.35752%0.519SS..  trans-123.6134.6168.7-179.20000108.4V20 L114V20-S22 PolarHBondContact O-N 3.35Å; S22-L114 PolarHBondContact OG-O 3.01Å
23I89.9Confident76.9Confident69 Ų6992.6 Ų92.635%0.35450%0.504SS..EExtended strand (participates in β ladder)trans-88114-179.4-58.9174.2000107.3F25 L35 L114I23-F25 HydrophobicContact CG2-CD1 4.05Å; I23-L35 HydrophobicContact CD1-CD1 4.33Å; I23-L35 HydrophobicContact CD1-CD2 3.54Å; I23-L114 PolarHBondContact N-O 3.02Å; I23-L114 PolarHBondContact O-N 3.41Å
24S92.4Very high78.8Confident77 Ų7788 Ų8854%0.53848%0.483SS..EExtended strand (participates in β ladder)trans-114.8130.4173.754.70000110.2V112 N113S24-V112 WeakPolarHBondContact CA-O 3.46Å; S24-N113 VanDerWaalsContact CB-OD1 3.25Å; S24-N113 WeakPolarHBondContact CB-OD1 3.42Å
25F93.7Very high80.6Confident41 Ų4186.1 Ų86.118%0.1847%0.468CS..EExtended strand (participates in β ladder)trans-147.2151.117762.3-90.4000112.2I23 L27 K33 F96 V112I23-F25 HydrophobicContact CG2-CD1 4.05Å; F25-L27 HydrophobicContact CE2-CB 4.42Å; F25-K33 HydrophobicContact CD2-CB 4.32Å; F25-K33 HydrophobicContact CD2-CD 3.71Å; F25-K33 HydrophobicContact CE2-CB 3.84Å; F25-K33 HydrophobicContact CE2-CD 4.07Å; F25-F96 AromaticContact CZ-CD2 3.7Å; F25-F96 HydrophobicContact CZ-CD2 3.7Å; F25-F96 HydrophobicContact CZ-CE2 4.11Å; F25-F96 HydrophobicContact CZ-CG 4.33Å; F25-V112 HydrophobicContact CD2-CB 4.31Å; F25-V112 HydrophobicContact CE1-CB 4.16Å; F25-V112 HydrophobicContact CE1-CG1 3.97Å; F25-V112 HydrophobicContact CE2-CB 3.88Å; F25-V112 HydrophobicContact CE2-CG1 4.27Å; F25-V112 HydrophobicContact CE2-CG2 4.1Å; F25-V112 HydrophobicContact CZ-CB 3.8Å; F25-V112 HydrophobicContact CZ-CG1 3.69Å; F25-V112 HydrophobicContact CZ-CG2 4.34Å; F25-V112 PolarHBondContact N-O 3.28Å; F25-V112 PolarHBondContact O-N 3.29Å
26F93.3Very high82.3Confident122 Ų12288.6 Ų88.654%0.53546%0.464SS..EExtended strand (participates in β ladder)trans-81.1129.9171.8-64.7-79.7000110.3P28 K33 D109 Q110 L111F26-P28 WeakPolarHBondContact O-CD 3.31Å; F26-K33 WeakPolarHBondContact O-CD 3.24Å; F26-K33 VanDerWaalsContact O-CE 3.31Å; F26-K33 WeakPolarHBondContact O-CE 3.4Å; F26-K33 PolarHBondContact O-NZ 2.9Å; F26-D109 HydrophobicContact CB-CB 4.1Å; F26-D109 HydrophobicContact CD1-CB 4.26Å; F26-Q110 CarbonylContact C-O 3.53Å; F26-Q110 WeakPolarHBondContact CA-O 3.29Å; F26-L111 HydrophobicContact CD1-CD1 4.1Å; F26-L111 HydrophobicContact CE1-CB 4.39Å; F26-L111 HydrophobicContact CE1-CD1 3.88Å; F26-L111 HydrophobicContact CE2-CD1 4.41Å; F26-L111 HydrophobicContact CG-CD1 4.46Å; F26-L111 HydrophobicContact CZ-CD1 4.04Å
27L93.1Very high83.9Confident0 Ų084.1 Ų84.10%044%0.439CS..EExtended strand (participates in β ladder)trans-107.5106.3175.8-17865.9000109.1F25 K33 T59 F96 Q110 V112F25-L27 HydrophobicContact CE2-CB 4.42Å; L27-K33 HydrophobicContact CD1-CB 3.89Å; L27-K33 HydrophobicContact CD1-CD 4.35Å; L27-K33 HydrophobicContact CD1-CG 3.9Å; L27-T59 HydrophobicContact CD2-CG2 3.65Å; L27-F96 HydrophobicContact CD2-CB 3.87Å; L27-Q110 HydrophobicContact CB-CB 4.49Å; L27-Q110 PolarHBondContact N-O 3.25Å; L27-Q110 PolarHBondContact O-N 3.18Å; L27-V112 HydrophobicContact CB-CG2 3.94Å; L27-V112 HydrophobicContact CD2-CG2 4.13Å
28P90.3Very high85.3Confident43 Ų4384.2 Ų84.228%0.27944%0.436SS..  trans-63.5156.1174.5-2232000112.8F26 S31 D109F26-P28 WeakPolarHBondContact O-CD 3.31Å; P28-S31 VanDerWaalsContact CD-OG 3.29Å; P28-S31 WeakPolarHBondContact CD-OG 3.48Å; P28-S31 WeakPolarHBondContact O-CB 3.47Å; P28-S31 PolarHBondContact O-N 3.26Å; P28-S31 PolarHBondContact O-OG 3.43Å; P28-D109 WeakPolarHBondContact CA-OD1 3.49Å
29V88.4Confident86.7Confident31 Ų3177 Ų7719%0.18840%0.403CS..THydrogen-bonded Turntrans-67.1141.9178-178.10000111.7S31 T57 V107V29-S31 PolarHBondContact O-N 3.02Å; V29-T57 HydrophobicContact CG2-CG2 4.35Å; V29-V107 HydrophobicContact CG2-CB 3.62Å; V29-V107 HydrophobicContact CG2-CG1 3.54Å
30N88.4Confident88.1Confident82 Ų8275 Ų7544%0.43938%0.382SS..THydrogen-bonded Turntrans56.429.1-176.8-61.4-38.8000113S98 S100N30-S98 WeakPolarHBondContact CA-O 3.4Å; N30-S98 PolarHBondContact N-O 2.89Å; N30-S100 PolarHBondContact OD1-N 3.19Å
31S91.6Very high89.4Confident30 Ų3074.1 Ų74.121%0.2137%0.368CS..  trans-120.5159.2177.183.50000111.6P28 V29 S98P28-S31 VanDerWaalsContact CD-OG 3.29Å; P28-S31 WeakPolarHBondContact CD-OG 3.48Å; P28-S31 WeakPolarHBondContact O-CB 3.47Å; P28-S31 PolarHBondContact O-N 3.26Å; P28-S31 PolarHBondContact O-OG 3.43Å; V29-S31 PolarHBondContact O-N 3.02Å; S31-S98 PolarHBondContact O-N 2.7Å
32R93.9Very high90.3Very high156 Ų15673.9 Ų73.959%0.58936%0.363SS*.EExtended strand (participates in β ladder)trans-119.2126.5174.7-168.9-176.993167.915.7108.9C34 E93 C95 F96 E97R32-C34 PolarHBondContact NE-SG 3.4Å; R32-E93 IonicContact NH2-OE2 3.77Å; R32-C95 HydrophobicContact CG-CB 4.31Å; R32-F96 VanDerWaalsContact CA-O 3.31Å; R32-F96 WeakPolarHBondContact CA-O 3.05Å; R32-E97 HydrophobicContact CB-CG 4.44Å; R32-E97 HydrophobicContact CG-CB 4.24Å
33K95Very high90.8Very high85 Ų8572.9 Ų72.937%0.3736%0.355SS..EExtended strand (participates in β ladder)trans-120.3140.6169.3-73.3-168.7169.8-172.70109.8F25 F26 L27 C95 F96F25-K33 HydrophobicContact CD2-CB 4.32Å; F25-K33 HydrophobicContact CD2-CD 3.71Å; F25-K33 HydrophobicContact CE2-CB 3.84Å; F25-K33 HydrophobicContact CE2-CD 4.07Å; F26-K33 WeakPolarHBondContact O-CD 3.24Å; F26-K33 VanDerWaalsContact O-CE 3.31Å; F26-K33 WeakPolarHBondContact O-CE 3.4Å; F26-K33 PolarHBondContact O-NZ 2.9Å; L27-K33 HydrophobicContact CD1-CB 3.89Å; L27-K33 HydrophobicContact CD1-CD 4.35Å; L27-K33 HydrophobicContact CD1-CG 3.9Å; K33-C95 CarbonylContact O-C 3.56Å; K33-C95 WeakPolarHBondContact O-CA 3.46Å; K33-F96 PolarHBondContact N-O 3.46Å; K33-F96 PolarHBondContact O-N 2.75Å
34C94.9Very high90.9Very high46 Ų4672.1 Ų72.131%0.31135%0.351SS..EExtended strand (participates in β ladder)trans-136.3141.8-174.3-54.40000111.3R32 E93 V94 C95R32-C34 PolarHBondContact NE-SG 3.4Å; C34-E93 VanDerWaalsContact CB-CD 3.44Å; C34-E93 HydrophobicContact CB-CG 3.5Å; C34-E93 WeakPolarHBondContact CB-OE1 3.44Å; C34-E93 PolarHBondContact SG-OE1 2.92Å; C34-E93 VanDerWaalsContact SG-OE1 3.4Å; C34-V94 CarbonylContact C-O 3.53Å; C34-V94 VanDerWaalsContact CA-O 3.23Å; C34-V94 WeakPolarHBondContact CA-O 3.44Å; C34-C95 HydrophobicContact CB-CB 4.09Å; C34-C95 WeakPolarHBondContact CB-SG 3.36Å; C34-C95 WeakPolarHBondContact SG-CB 3.24Å; C34-C95 CovalentContact SG-SG 2.04Å; C34-C95 PolarHBondContact SG-SG 3.39Å
35L94.2Very high90.9Very high49 Ų4968.5 Ų68.526%0.25733%0.326SS..EExtended strand (participates in β ladder)trans-105.6121.3170.6-17968.5000107.9I23 E93 V94 L114 M116I23-L35 HydrophobicContact CD1-CD1 4.33Å; I23-L35 HydrophobicContact CD1-CD2 3.54Å; L35-E93 CarbonylContact O-C 3.45Å; L35-E93 VanDerWaalsContact O-CA 3.3Å; L35-E93 WeakPolarHBondContact O-CA 3.44Å; L35-V94 PolarHBondContact N-O 3.33Å; L35-V94 PolarHBondContact O-N 3.35Å; L35-L114 HydrophobicContact CD2-CD2 3.88Å; L35-M116 HydrophobicContact CD2-CE 4.23Å
36R93.3Very high90.9Very high172 Ų17268 Ų6865%0.64933%0.327SS*.EExtended strand (participates in β ladder)trans-112.1130.2177.7-172174.666.5177.43.4109.6M91 F92 E93R36-M91 HydrophobicContact CG-CB 4.2Å; R36-M91 HydrophobicContact CG-SD 4.32Å; R36-F92 WeakPolarHBondContact CA-O 3.38Å; R36-E93 HydrophobicContact CB-CB 4.46Å; R36-E93 HydrophobicContact CB-CG 4.34Å; R36-E93 HydrophobicContact CG-CB 4.46Å
37E90.9Very high90.9Very high59 Ų5962.6 Ų62.628%0.27630%0.304SS..EExtended strand (participates in β ladder)trans-134.8141.5-176.5-164.6166175.400110.9I39 M91 F92 M116E37-I39 HydrophobicContact CG-CD1 4Å; E37-I39 HydrophobicContact CG-CG1 4.1Å; E37-M91 VanDerWaalsContact O-CA 3.28Å; E37-M91 WeakPolarHBondContact O-CA 3.5Å; E37-F92 HydrophobicContact CB-CZ 4.23Å; E37-F92 PolarHBondContact N-O 2.79Å; E37-F92 PolarHBondContact O-N 3.31Å; E37-M116 WeakPolarHBondContact OE2-CE 3.49Å
38E89.6Confident91Very high151 Ų15165.8 Ų65.871%0.70632%0.32SS*.EExtended strand (participates in β ladder)trans-91.4115.8173.7-73.7174.9-164.900108.5M91E38-M91 HydrophobicContact CB-CG 4.34Å; E38-M91 HydrophobicContact CG-CG 3.41Å; E38-M91 VanDerWaalsContact CG-CG 3.41Å; E38-M91 HydrophobicContact CG-SD 3.92Å
39I87.4Confident91.2Very high14 Ų1464 Ų647%0.07231%0.307CS..EExtended strand (participates in β ladder)trans-123.6151.5179.7-66.2-62.6000110.1E37 V43 V45 T86 D90 F92E37-I39 HydrophobicContact CG-CD1 4Å; E37-I39 HydrophobicContact CG-CG1 4.1Å; I39-V43 HydrophobicContact CG2-CB 3.75Å; I39-V43 HydrophobicContact CG2-CG1 3.94Å; I39-V43 HydrophobicContact CG2-CG2 4.2Å; I39-V45 HydrophobicContact CG2-CG2 4.45Å; I39-T86 HydrophobicContact CB-CG2 4.27Å; I39-T86 HydrophobicContact CG2-CG2 3.88Å; I39-D90 PolarHBondContact N-O 2.81Å; I39-F92 HydrophobicContact CB-CE1 4.08Å; I39-F92 HydrophobicContact CG1-CD1 4.36Å; I39-F92 HydrophobicContact CG1-CE1 3.52Å; I39-F92 HydrophobicContact CG1-CZ 4.22Å
40H85.4Confident91.5Very high61 Ų6166.6 Ų66.628%0.28232%0.317SS..  trans-71162.7178.8-63.957.5000110.8V43 T86 Y89 Y157H40-V43 HydrophobicContact CB-CG2 3.92Å; H40-T86 PolarHBondContact O-OG1 3.06Å; H40-Y89 HydrophobicContact CB-CD2 4.23Å; H40-Y89 HydrophobicContact CB-CE2 3.69Å; H40-Y89 AromaticContact CD2-CE2 3.42Å; H40-Y89 VanDerWaalsContact CD2-CE2 3.42Å; H40-Y89 WeakPolarHBondContact CD2-CE2 3.34Å; H40-Y89 AromaticContact CD2-CZ 3.38Å; H40-Y89 PolarHBondContact CD2-OH 3.14Å; H40-Y89 PolarHBondContact CE1-OH 3.24Å; H40-Y89 VanDerWaalsContact CE1-OH 3.32Å; H40-Y89 AromaticContact CG-CE2 3.58Å; H40-Y89 AromaticContact CG-CZ 3.49Å; H40-Y89 VanDerWaalsContact CG-CZ 3.49Å; H40-Y89 AromaticContact ND1-CZ 3.96Å; H40-Y89 AromaticContact NE2-CZ 3.8Å; H40-Y89 PolarHBondContact NE2-OH 2.96Å; H40-Y157 AromaticContact NE2-CD1 3.69Å; H40-Y157 AromaticContact NE2-CG 3.88Å
41K85.9Confident91.7Very high98 Ų9863.2 Ų63.243%0.42630%0.299SS..THydrogen-bonded Turntrans-62.3146173.5-168.1-175.9169.774.80111.5V43 E87 D88 Y89K41-V43 VanDerWaalsContact C-N 3.31Å; K41-V43 PolarHBondContact O-N 2.81Å; K41-E87 VanDerWaalsContact CG-O 3.27Å; K41-E87 WeakPolarHBondContact CG-O 3.47Å; K41-E87 PolarHBondContact NZ-O 3.47Å; K41-D88 IonicContact NZ-OD1 2.81Å; K41-D88 PolarHBondContact NZ-OD1 2.86Å; K41-Y89 HydrophobicContact CB-CD2 4.21Å
42D86.4Confident91.7Very high114 Ų11464.5 Ų64.561%0.6131%0.308SS*.THydrogen-bonded Turntrans62.331.1172.8-57.4-49000114.5T86D42-T86 VanDerWaalsContact CA-O 3.29Å; D42-T86 WeakPolarHBondContact CA-O 3.47Å; D42-T86 PolarHBondContact N-O 2.94Å; D42-T86 PolarHBondContact N-OG1 2.79Å
43V89.6Confident91.2Very high30 Ų3064.5 Ų64.518%0.18232%0.315CS..  trans-102.5127.8178.9179.30000110.3I39 H40 K41 T85 T86 H118I39-V43 HydrophobicContact CG2-CB 3.75Å; I39-V43 HydrophobicContact CG2-CG1 3.94Å; I39-V43 HydrophobicContact CG2-CG2 4.2Å; H40-V43 HydrophobicContact CB-CG2 3.92Å; K41-V43 VanDerWaalsContact C-N 3.31Å; K41-V43 PolarHBondContact O-N 2.81Å; V43-T85 WeakPolarHBondContact O-CA 3.32Å; V43-T86 PolarHBondContact N-OG1 2.53Å; V43-T86 PolarHBondContact O-N 2.89Å; V43-T86 PolarHBondContact O-OG1 2.82Å; V43-H118 HydrophobicContact CG1-CB 4.2Å
44L91.8Very high90.5Very high54 Ų5462.4 Ų62.428%0.28331%0.307SS..EExtended strand (participates in β ladder)trans-72.4126.7171.6179.266.8000109.9T46 H118 G119 A122 K123L44-T46 HydrophobicContact CD2-CG2 4.45Å; L44-T46 HydrophobicContact CG-CG2 4.31Å; L44-H118 CarbonylContact O-C 3.55Å; L44-H118 WeakPolarHBondContact O-CA 3.1Å; L44-G119 PolarHBondContact O-N 2.69Å; L44-A122 HydrophobicContact CB-CB 4.43Å; L44-A122 HydrophobicContact CD2-CB 4.15Å; L44-A122 HydrophobicContact CG-CB 4.04Å; L44-A122 WeakPolarHBondContact O-CB 2.98Å; L44-K123 HydrophobicContact CD2-CG 4.35Å
45V92.9Very high89.6Confident0 Ų064.5 Ų64.50%033%0.327CS..EExtended strand (participates in β ladder)trans-116.1127.9174.2-177.90000108.6I39 A83 F84 T86 F92 M116 K117I39-V45 HydrophobicContact CG2-CG2 4.45Å; V45-A83 VanDerWaalsContact O-CA 3.29Å; V45-A83 WeakPolarHBondContact O-CA 3.4Å; V45-F84 HydrophobicContact CB-CD1 4.48Å; V45-F84 HydrophobicContact CB-CD2 4.32Å; V45-F84 HydrophobicContact CB-CE1 4.03Å; V45-F84 HydrophobicContact CB-CE2 3.87Å; V45-F84 HydrophobicContact CB-CZ 3.7Å; V45-F84 HydrophobicContact CG1-CE1 3.89Å; V45-F84 HydrophobicContact CG1-CE2 4.35Å; V45-F84 HydrophobicContact CG1-CZ 3.69Å; V45-F84 HydrophobicContact CG2-CE2 4.02Å; V45-F84 HydrophobicContact CG2-CZ 4.16Å; V45-F84 PolarHBondContact N-O 2.93Å; V45-F84 PolarHBondContact O-N 2.86Å; V45-F84 VanDerWaalsContact O-O 3.13Å; V45-T86 HydrophobicContact CG2-CG2 4.4Å; V45-F92 HydrophobicContact CG1-CE1 4.41Å; V45-F92 HydrophobicContact CG1-CZ 3.98Å; V45-F92 HydrophobicContact CG2-CE1 3.99Å; V45-F92 HydrophobicContact CG2-CZ 4.35Å; V45-M116 HydrophobicContact CG1-CG 3.85Å; V45-M116 HydrophobicContact CG1-SD 3.91Å; V45-K117 WeakPolarHBondContact CA-O 3.21Å
46T93.1Very high88.9Confident32 Ų3267.4 Ų67.420%0.19634%0.343CS..EExtended strand (participates in β ladder)trans-125.2137.6174.756.50000109.1L44 F82 A83 M116 K117 A122L44-T46 HydrophobicContact CD2-CG2 4.45Å; L44-T46 HydrophobicContact CG-CG2 4.31Å; T46-F82 WeakPolarHBondContact CA-O 3.49Å; T46-A83 HydrophobicContact CG2-CB 3.9Å; T46-M116 WeakPolarHBondContact O-CA 3.48Å; T46-K117 PolarHBondContact N-O 3.46Å; T46-K117 PolarHBondContact O-N 3.31Å; T46-A122 HydrophobicContact CG2-CB 3.93Å; T46-A122 WeakPolarHBondContact OG1-CA 3.27Å; T46-A122 WeakPolarHBondContact OG1-CB 3.28Å
47G93.1Very high88.5Confident7 Ų760.1 Ų60.17%0.07232%0.317CS..EExtended strand (participates in β ladder)trans-138.7150.7174.700000112.8K81 F82 D115G47-K81 CarbonylContact O-C 3.51Å; G47-K81 VanDerWaalsContact O-CA 3.22Å; G47-K81 WeakPolarHBondContact O-CA 3.14Å; G47-F82 PolarHBondContact N-O 2.8Å; G47-F82 PolarHBondContact O-N 2.86Å; G47-D115 CarbonylContact C-O 3.52Å; G47-D115 WeakPolarHBondContact CA-O 3.19Å
48E94.3Very high88.4Confident68 Ų6862.7 Ų62.732%0.31833%0.328SS..EExtended strand (participates in β ladder)trans-120.2132.2172.9-176.6159.6-163.100108.5G80 K81 D115E48-G80 WeakPolarHBondContact CA-O 3.41Å; E48-K81 HydrophobicContact CB-CG 4.1Å; E48-K81 VanDerWaalsContact CD-NZ 3.3Å; E48-K81 HydrophobicContact CG-CG 3.98Å; E48-K81 WeakPolarHBondContact OE1-CE 3.13Å; E48-K81 IonicContact OE1-NZ 2.68Å; E48-K81 PolarHBondContact OE1-NZ 2.91Å; E48-K81 WeakPolarHBondContact OE2-CE 3.45Å; E48-K81 IonicContact OE2-NZ 3.02Å; E48-K81 PolarHBondContact OE2-NZ 2.94Å; E48-D115 PolarHBondContact N-O 3.31Å; E48-D115 PolarHBondContact O-N 3.45Å
49Y94.6Very high88.6Confident4 Ų455.7 Ų55.72%0.01630%0.295CS..EExtended strand (participates in β ladder)trans-126.1144.4179.266.8-89.5000110.8I51 L61 A77 K79 G80 F82 F96 N113Y49-I51 HydrophobicContact CD2-CD1 4.19Å; Y49-I51 HydrophobicContact CD2-CG1 4.24Å; Y49-L61 HydrophobicContact CD1-CD2 3.55Å; Y49-L61 HydrophobicContact CD2-CD2 4.49Å; Y49-L61 HydrophobicContact CE1-CD2 3.37Å; Y49-L61 HydrophobicContact CE2-CD2 4.37Å; Y49-L61 HydrophobicContact CG-CD2 4.12Å; Y49-A77 HydrophobicContact CE2-CB 3.77Å; Y49-K79 WeakPolarHBondContact O-CA 3.28Å; Y49-G80 VanDerWaalsContact CD1-O 3.32Å; Y49-G80 WeakPolarHBondContact CD1-O 3.22Å; Y49-G80 PolarHBondContact N-O 3.44Å; Y49-G80 PolarHBondContact O-N 2.65Å; Y49-F82 AromaticContact CD1-CD1 3.91Å; Y49-F82 HydrophobicContact CD1-CD1 3.91Å; Y49-F82 HydrophobicContact CD1-CE1 4.14Å; Y49-F82 HydrophobicContact CE1-CD1 4.25Å; Y49-F96 HydrophobicContact CD2-CE1 4.37Å; Y49-F96 HydrophobicContact CG-CE1 4.31Å; Y49-N113 CarbonylContact C-O 3.56Å; Y49-N113 VanDerWaalsContact CA-O 3.27Å; Y49-N113 WeakPolarHBondContact CA-O 3.29Å
50E95Very high89Confident87 Ų8756.6 Ų56.641%0.40730%0.3SS..EExtended strand (participates in β ladder)trans-138.4123.4174-174.3165.6-130.900109.2K79 N113E50-K79 HydrophobicContact CB-CG 4.46Å; E50-K79 HydrophobicContact CG-CD 4.35Å; E50-K79 HydrophobicContact CG-CG 4.46Å; E50-K79 IonicContact OE1-NZ 3.57Å; E50-K79 PolarHBondContact OE1-NZ 2.96Å; E50-K79 IonicContact OE2-NZ 3.16Å; E50-N113 HydrophobicContact CB-CB 4.49Å; E50-N113 PolarHBondContact N-O 3.41Å; E50-N113 PolarHBondContact O-N 3.28Å
51I93.4Very high89.5Confident10 Ų1053.7 Ų53.75%0.05129%0.287CS..EExtended strand (participates in β ladder)trans-114.6128.5-175.8-54.8175.9000107.6Y49 E53 T59 A77 T78 F96 Q110 V112Y49-I51 HydrophobicContact CD2-CD1 4.19Å; Y49-I51 HydrophobicContact CD2-CG1 4.24Å; I51-E53 PolarHBondContact O-N 2.68Å; I51-T59 HydrophobicContact CD1-CG2 3.87Å; I51-A77 HydrophobicContact CD1-CB 4.23Å; I51-A77 WeakPolarHBondContact CD1-O 3.49Å; I51-T78 WeakPolarHBondContact CB-O 3.37Å; I51-T78 PolarHBondContact N-O 2.94Å; I51-F96 HydrophobicContact CD1-CD1 3.78Å; I51-F96 HydrophobicContact CD1-CE1 3.93Å; I51-F96 HydrophobicContact CG1-CE1 4.43Å; I51-Q110 HydrophobicContact CG2-CB 4.4Å; I51-V112 HydrophobicContact CG1-CG1 4.27Å; I51-V112 HydrophobicContact CG1-CG2 4.21Å; I51-V112 HydrophobicContact CG2-CG2 4.23Å
52S91Very high90Very high58 Ų5853.7 Ų53.741%0.40629%0.287SS..  trans-62.7122.3175.2-177.90000110.4Q54 Q110 L111S52-Q54 PolarHBondContact O-N 2.89Å; S52-Q110 PolarHBondContact O-NE2 3.33Å; S52-L111 PolarHBondContact N-O 3.16Å
53E83.1Confident90.4Very high156 Ų15648.3 Ų48.373%0.72926%0.258SS*.  trans-68.6129.3177.9-69.5-171.1171.100111.1I51 T78I51-E53 PolarHBondContact O-N 2.68Å; E53-T78 HydrophobicContact CG-CG2 4.47Å
54Q81.2Confident90.6Very high41 Ų4147.8 Ų47.819%0.19226%0.255CS..  trans-132.6140.5174.6-79.5172.3-8.600110.4S52 N56 T57 P108 D109 Q110S52-Q54 PolarHBondContact O-N 2.89Å; Q54-N56 PolarHBondContact O-N 3.14Å; Q54-T57 HydrophobicContact CB-CG2 4.42Å; Q54-T57 WeakPolarHBondContact CB-OG1 3.46Å; Q54-T57 PolarHBondContact O-N 3.08Å; Q54-T57 PolarHBondContact O-OG1 3.47Å; Q54-P108 HydrophobicContact CG-CG 4.35Å; Q54-P108 PolarHBondContact OE1-O 3.5Å; Q54-D109 PolarHBondContact NE2-O 3Å; Q54-Q110 HydrophobicContact CB-CG 4.31Å; Q54-Q110 HydrophobicContact CG-CG 4.33Å
55A76.3Confident90.6Very high89 Ų8946.6 Ų46.674%0.73625%0.249SC*.THydrogen-bonded Turntrans-58.5132.3-177.300000111.4T57A55-T57 VanDerWaalsContact C-N 3.3Å; A55-T57 PolarHBondContact O-N 2.75Å
56N78.9Confident90.4Very high111 Ų11149.6 Ų49.659%0.59427%0.27SS*.THydrogen-bonded Turntrans59.131.2178.7-62.7-20.9000115.2Q54 S100 P101Q54-N56 PolarHBondContact O-N 3.14Å; N56-S100 WeakPolarHBondContact O-CB 3.43Å; N56-S100 PolarHBondContact O-OG 3.45Å; N56-P101 WeakPolarHBondContact O-CD 3.31Å
57T84Confident90.1Very high19 Ų1952.6 Ų52.612%0.11729%0.292CS..  trans-123137170.658.90000109.9V29 Q54 A55 V107 Q110V29-T57 HydrophobicContact CG2-CG2 4.35Å; Q54-T57 HydrophobicContact CB-CG2 4.42Å; Q54-T57 WeakPolarHBondContact CB-OG1 3.46Å; Q54-T57 PolarHBondContact O-N 3.08Å; Q54-T57 PolarHBondContact O-OG1 3.47Å; A55-T57 VanDerWaalsContact C-N 3.3Å; A55-T57 PolarHBondContact O-N 2.75Å; T57-V107 HydrophobicContact CG2-CG1 3.59Å; T57-Q110 PolarHBondContact OG1-NE2 3Å
58K90.3Very high89.8Confident112 Ų11256.8 Ų56.849%0.48732%0.32SS..EExtended strand (participates in β ladder)trans-122.8126.8177.6-75175.1162.4-1140108.3D76 K99K58-D76 VanDerWaalsContact CB-OD1 3.28Å; K58-D76 WeakPolarHBondContact CB-OD1 3.42Å; K58-D76 WeakPolarHBondContact CD-OD1 3.29Å; K58-D76 WeakPolarHBondContact CG-OD1 3.37Å; K58-D76 VanDerWaalsContact NZ-CG 3.32Å; K58-D76 IonicContact NZ-OD1 3.44Å; K58-D76 PolarHBondContact NZ-OD1 3.37Å; K58-D76 VanDerWaalsContact NZ-OD1 3.16Å; K58-D76 IonicContact NZ-OD2 2.65Å; K58-D76 PolarHBondContact NZ-OD2 2.9Å; K58-K99 PolarHBondContact N-O 3.32Å; K58-K99 PolarHBondContact O-N 2.95Å
59T93.3Very high89.6Confident4 Ų458.8 Ų58.83%0.02533%0.329CS..EExtended strand (participates in β ladder)trans-111.5128.3-178.5-43.20000109.6L27 I51 D76 A77 F96 E97 Q110L27-T59 HydrophobicContact CD2-CG2 3.65Å; I51-T59 HydrophobicContact CD1-CG2 3.87Å; T59-D76 CarbonylContact O-C 3.52Å; T59-D76 WeakPolarHBondContact O-CA 3.29Å; T59-D76 PolarHBondContact O-N 2.69Å; T59-A77 PolarHBondContact O-N 2.83Å; T59-F96 HydrophobicContact CG2-CB 4.32Å; T59-E97 CarbonylContact C-O 3.51Å; T59-E97 WeakPolarHBondContact CA-O 3.41Å; T59-Q110 PolarHBondContact OG1-NE2 3.46Å; T59-Q110 PolarHBondContact OG1-OE1 2.91Å
60N95.1Very high89.5Confident34 Ų3461.3 Ų61.318%0.18235%0.345CS..EExtended strand (participates in β ladder)trans-103135.9174.7-61.7-34.9000109.4E75 D76 F96 E97N60-E75 WeakPolarHBondContact OD1-CA 3.27Å; N60-D76 PolarHBondContact OD1-N 3.26Å; N60-F96 WeakPolarHBondContact O-CA 3.42Å; N60-E97 PolarHBondContact N-O 3.02Å; N60-E97 PolarHBondContact O-N 3.25Å
61L96.2Very high89.4Confident0 Ų059.5 Ų59.50%034%0.338CS..EExtended strand (participates in β ladder)trans-105.1129.7173171.660.4000108.9Y49 I63 Y72 S73 K74 A77 F82 V94 C95 F96Y49-L61 HydrophobicContact CD1-CD2 3.55Å; Y49-L61 HydrophobicContact CD2-CD2 4.49Å; Y49-L61 HydrophobicContact CE1-CD2 3.37Å; Y49-L61 HydrophobicContact CE2-CD2 4.37Å; Y49-L61 HydrophobicContact CG-CD2 4.12Å; L61-I63 HydrophobicContact CD1-CG1 4.39Å; L61-Y72 HydrophobicContact CD2-CD1 4.23Å; L61-Y72 HydrophobicContact CD2-CE1 3.89Å; L61-Y72 HydrophobicContact CG-CD1 4.45Å; L61-Y72 HydrophobicContact CG-CE1 4.44Å; L61-S73 WeakPolarHBondContact O-CA 3.46Å; L61-K74 HydrophobicContact CB-CB 4.38Å; L61-K74 PolarHBondContact N-O 2.95Å; L61-K74 PolarHBondContact O-N 3.13Å; L61-A77 HydrophobicContact CB-CB 4.01Å; L61-F82 HydrophobicContact CD2-CD1 4.28Å; L61-V94 HydrophobicContact CD1-CG1 3.71Å; L61-C95 WeakPolarHBondContact CA-O 3.31Å; L61-C95 WeakPolarHBondContact CD1-O 3.43Å; L61-F96 HydrophobicContact CB-CD1 4.5Å; L61-F96 HydrophobicContact CB-CE1 4.48Å; L61-F96 HydrophobicContact CD1-CD1 4.08Å; L61-F96 HydrophobicContact CD1-CD2 4.38Å; L61-F96 HydrophobicContact CD1-CE1 3.76Å; L61-F96 HydrophobicContact CD1-CE2 4.08Å; L61-F96 HydrophobicContact CD1-CG 4.39Å; L61-F96 HydrophobicContact CD1-CZ 3.76Å; L61-F96 HydrophobicContact CD2-CE1 4.38Å; L61-F96 HydrophobicContact CG-CE1 4.43Å
62K96.1Very high89.4Confident98 Ų9862.2 Ų62.243%0.42635%0.348SS..EExtended strand (participates in β ladder)trans-136128.8174-164.6-176.2-177.3-175.10109.8T64 T70 C95K62-T64 HydrophobicContact CD-CG2 4.01Å; K62-T64 HydrophobicContact CG-CG2 4.1Å; K62-T70 WeakPolarHBondContact CE-OG1 3.36Å; K62-T70 HydrophobicContact CG-CG2 4.08Å; K62-C95 PolarHBondContact N-O 3.46Å; K62-C95 PolarHBondContact O-N 3.45Å
63I95.6Very high89.6Confident0 Ų062.9 Ų62.90%035%0.353CS..EExtended strand (participates in β ladder)trans-111123.9173.9-51.3-175.2000107.5L61 L71 Y72 F82 F84 F92 E93 V94L61-I63 HydrophobicContact CD1-CG1 4.39Å; I63-L71 HydrophobicContact CB-CB 4.5Å; I63-L71 HydrophobicContact CG2-CB 4.23Å; I63-L71 HydrophobicContact CG2-CD1 4.29Å; I63-L71 PolarHBondContact O-N 2.81Å; I63-Y72 HydrophobicContact CD1-CD1 4.08Å; I63-Y72 HydrophobicContact CD1-CG 4.41Å; I63-Y72 HydrophobicContact CG1-CD1 4.31Å; I63-Y72 PolarHBondContact N-O 3.45Å; I63-Y72 PolarHBondContact O-N 3.32Å; I63-F82 HydrophobicContact CD1-CB 4.47Å; I63-F82 HydrophobicContact CD1-CD1 4.01Å; I63-F82 HydrophobicContact CD1-CD2 3.45Å; I63-F82 VanDerWaalsContact CD1-CD2 3.45Å; I63-F82 HydrophobicContact CD1-CE1 4.05Å; I63-F82 HydrophobicContact CD1-CE2 3.51Å; I63-F82 HydrophobicContact CD1-CG 3.71Å; I63-F82 HydrophobicContact CD1-CZ 3.8Å; I63-F84 HydrophobicContact CD1-CD1 4.43Å; I63-F84 HydrophobicContact CD1-CE1 4.05Å; I63-F84 HydrophobicContact CG2-CE1 3.92Å; I63-F84 HydrophobicContact CG2-CZ 4.15Å; I63-F92 HydrophobicContact CG2-CD2 4.38Å; I63-E93 WeakPolarHBondContact CA-O 3.45Å; I63-V94 HydrophobicContact CD1-CG1 4.43Å; I63-V94 HydrophobicContact CD1-CG2 4.21Å; I63-V94 HydrophobicContact CG1-CG1 4.19Å; I63-V94 HydrophobicContact CG1-CG2 4.18Å; I63-V94 HydrophobicContact CG2-CG2 4.18Å
64T93.9Very high90.2Very high19 Ų1960.1 Ų60.112%0.11734%0.338CS..EExtended strand (participates in β ladder)trans-129.8145.5-179.3470000111.3K62 H69 F92 E93K62-T64 HydrophobicContact CD-CG2 4.01Å; K62-T64 HydrophobicContact CG-CG2 4.1Å; T64-H69 CarbonylContact C-O 3.57Å; T64-H69 WeakPolarHBondContact CA-O 3.35Å; T64-F92 CarbonylContact O-C 3.6Å; T64-F92 VanDerWaalsContact O-CA 3.29Å; T64-F92 WeakPolarHBondContact O-CA 3.41Å; T64-E93 PolarHBondContact N-O 3.33Å; T64-E93 PolarHBondContact O-N 2.76Å
65D91.9Very high90.8Very high30 Ų3065.5 Ų65.516%0.1636%0.364CS..EExtended strand (participates in β ladder)trans-81.2172.3169.1-161.65.7000111.4S67 S68 H69 L71 D90 M91D65-S67 PolarHBondContact O-N 2.96Å; D65-S68 WeakPolarHBondContact O-CA 3.44Å; D65-S68 PolarHBondContact O-N 3.46Å; D65-H69 HydrophobicContact CB-CB 4.47Å; D65-H69 PolarHBondContact N-O 2.79Å; D65-L71 HydrophobicContact CB-CD1 4.29Å; D65-L71 HydrophobicContact CB-CG 4.42Å; D65-D90 WeakPolarHBondContact OD1-CB 3.27Å; D65-M91 CarbonylContact C-O 3.53Å
66S88.3Confident91.5Very high62 Ų6264.9 Ų64.943%0.43435%0.348SS..THydrogen-bonded Turntrans-62.5-30.3-179.394.30000112.5S68 D90 M91S66-S68 PolarHBondContact O-N 3Å; S66-S68 VanDerWaalsContact O-N 3.12Å; S66-D90 VanDerWaalsContact CB-CG 3.42Å; S66-D90 WeakPolarHBondContact CB-OD1 3.48Å; S66-D90 VanDerWaalsContact CB-OD2 3.27Å; S66-D90 WeakPolarHBondContact CB-OD2 3.34Å; S66-D90 PolarHBondContact OG-OD1 2.9Å; S66-D90 PolarHBondContact OG-OD2 2.85Å; S66-M91 PolarHBondContact N-O 2.76Å
67S87.3Confident92.2Very high96 Ų9659.8 Ų59.867%0.67132%0.321SS*.THydrogen-bonded Turntrans-73.88.4172.5-66.20000113.4D65 H69D65-S67 PolarHBondContact O-N 2.96Å; S67-H69 PolarHBondContact O-N 3.39Å; S67-H69 VanDerWaalsContact O-N 3.14Å
68S85.9Confident92.6Very high94 Ų9462 Ų6266%0.65734%0.335SS*.  trans60.515.8-176.1-58.90000114.6D65 S66D65-S68 WeakPolarHBondContact O-CA 3.44Å; D65-S68 PolarHBondContact O-N 3.46Å; S66-S68 PolarHBondContact O-N 3Å; S66-S68 VanDerWaalsContact O-N 3.12Å
69H91Very high92.8Very high110 Ų11062.1 Ų62.151%0.50934%0.336SS..  trans-69.1133.1171.1-175.7-132.7000109.4T64 D65 S67 L71T64-H69 CarbonylContact C-O 3.57Å; T64-H69 WeakPolarHBondContact CA-O 3.35Å; D65-H69 HydrophobicContact CB-CB 4.47Å; D65-H69 PolarHBondContact N-O 2.79Å; S67-H69 PolarHBondContact O-N 3.39Å; S67-H69 VanDerWaalsContact O-N 3.14Å; H69-L71 PolarHBondContact O-N 3.23Å
70T92.4Very high92.8Very high57 Ų5762.9 Ų62.935%0.3534%0.344SS..EExtended strand (participates in β ladder)trans-88.8107.6-176.8-56.70000109.5K62K62-T70 WeakPolarHBondContact CE-OG1 3.36Å; K62-T70 HydrophobicContact CG-CG2 4.08Å
71L91.9Very high92.8Very high49 Ų4968 Ų6826%0.25737%0.365SS..EExtended strand (participates in β ladder)trans-77.8-37.2-179.5-57.7177.4000111.4I63 D65 H69 F84 F92I63-L71 HydrophobicContact CB-CB 4.5Å; I63-L71 HydrophobicContact CG2-CB 4.23Å; I63-L71 HydrophobicContact CG2-CD1 4.29Å; I63-L71 PolarHBondContact O-N 2.81Å; D65-L71 HydrophobicContact CB-CD1 4.29Å; D65-L71 HydrophobicContact CB-CG 4.42Å; H69-L71 PolarHBondContact O-N 3.23Å; L71-F84 HydrophobicContact CD1-CD2 3.78Å; L71-F84 HydrophobicContact CD1-CE2 3.83Å; L71-F84 HydrophobicContact CD1-CG 4.37Å; L71-F84 HydrophobicContact CD1-CZ 4.45Å; L71-F92 HydrophobicContact CD1-CB 4.27Å
72Y94.4Very high92.6Very high67 Ų6768.6 Ų68.626%0.26337%0.367SS..EExtended strand (participates in β ladder)trans-151.9142.4178.2-177.5-103.1000110.2L61 I63 K74 F82L61-Y72 HydrophobicContact CD2-CD1 4.23Å; L61-Y72 HydrophobicContact CD2-CE1 3.89Å; L61-Y72 HydrophobicContact CG-CD1 4.45Å; L61-Y72 HydrophobicContact CG-CE1 4.44Å; I63-Y72 HydrophobicContact CD1-CD1 4.08Å; I63-Y72 HydrophobicContact CD1-CG 4.41Å; I63-Y72 HydrophobicContact CG1-CD1 4.31Å; I63-Y72 PolarHBondContact N-O 3.45Å; I63-Y72 PolarHBondContact O-N 3.32Å; Y72-K74 HydrophobicContact CE1-CB 3.84Å; Y72-F82 HydrophobicContact CD1-CB 3.93Å; Y72-F82 HydrophobicContact CD1-CG 4.48Å; Y72-F82 HydrophobicContact CD2-CB 4.24Å; Y72-F82 HydrophobicContact CE1-CB 3.93Å; Y72-F82 HydrophobicContact CE2-CB 4.25Å; Y72-F82 HydrophobicContact CG-CB 4.09Å
73S95.4Very high92.5Very high73 Ų7367.2 Ų67.251%0.5137%0.374SS..EExtended strand (participates in β ladder)trans-145.5134.8173.2-169.60000110.7L61L61-S73 WeakPolarHBondContact O-CA 3.46Å
74K95.1Very high92.3Very high97 Ų9768.1 Ų68.142%0.42238%0.378SS..EExtended strand (participates in β ladder)trans-136.8118.1178.1-174.767.5176-1780109.8L61 Y72 A77L61-K74 HydrophobicContact CB-CB 4.38Å; L61-K74 PolarHBondContact N-O 2.95Å; L61-K74 PolarHBondContact O-N 3.13Å; Y72-K74 HydrophobicContact CE1-CB 3.84Å; K74-A77 HydrophobicContact CB-CB 4.45Å; K74-A77 HydrophobicContact CG-CB 4.09Å
75E93.3Very high92.2Very high154 Ų15470.9 Ų70.972%0.7240%0.395SS*.THydrogen-bonded Turntrans-80.3148.7169.6-60.2-173.7173.600110.5N60 A77N60-E75 WeakPolarHBondContact OD1-CA 3.27Å; E75-A77 VanDerWaalsContact C-N 3.27Å; E75-A77 PolarHBondContact O-N 3.39Å
76D91.7Very high92Very high76 Ų7670 Ų7041%0.40639%0.391SS..THydrogen-bonded Turntrans4848.9-178.9-66.4-27.5000112.4K58 T59 N60 T78K58-D76 VanDerWaalsContact CB-OD1 3.28Å; K58-D76 WeakPolarHBondContact CB-OD1 3.42Å; K58-D76 WeakPolarHBondContact CD-OD1 3.29Å; K58-D76 WeakPolarHBondContact CG-OD1 3.37Å; K58-D76 VanDerWaalsContact NZ-CG 3.32Å; K58-D76 IonicContact NZ-OD1 3.44Å; K58-D76 PolarHBondContact NZ-OD1 3.37Å; K58-D76 VanDerWaalsContact NZ-OD1 3.16Å; K58-D76 IonicContact NZ-OD2 2.65Å; K58-D76 PolarHBondContact NZ-OD2 2.9Å; T59-D76 CarbonylContact O-C 3.52Å; T59-D76 WeakPolarHBondContact O-CA 3.29Å; T59-D76 PolarHBondContact O-N 2.69Å; N60-D76 PolarHBondContact OD1-N 3.26Å; D76-T78 PolarHBondContact O-N 3.03Å
77A92.7Very high91.9Very high4 Ų473.3 Ų73.33%0.03340%0.4CS..  trans-68.8126.1179.200000110.7Y49 I51 T59 L61 K74 E75Y49-A77 HydrophobicContact CE2-CB 3.77Å; I51-A77 HydrophobicContact CD1-CB 4.23Å; I51-A77 WeakPolarHBondContact CD1-O 3.49Å; T59-A77 PolarHBondContact O-N 2.83Å; L61-A77 HydrophobicContact CB-CB 4.01Å; K74-A77 HydrophobicContact CB-CB 4.45Å; K74-A77 HydrophobicContact CG-CB 4.09Å; E75-A77 VanDerWaalsContact C-N 3.27Å; E75-A77 PolarHBondContact O-N 3.39Å
78T92.5Very high91.6Very high67 Ų6773.1 Ų73.141%0.41139%0.391SS..SBendtrans-117.3-67.2173.251.60000110.3I51 E53 D76I51-T78 WeakPolarHBondContact CB-O 3.37Å; I51-T78 PolarHBondContact N-O 2.94Å; E53-T78 HydrophobicContact CG-CG2 4.47Å; D76-T78 PolarHBondContact O-N 3.03Å
79K94.7Very high91.2Very high114 Ų11474 Ų7450%0.49638%0.38SS..EExtended strand (participates in β ladder)trans-135.7140.3174.2-175.1173.8-171151.80110.2Y49 E50Y49-K79 WeakPolarHBondContact O-CA 3.28Å; E50-K79 HydrophobicContact CB-CG 4.46Å; E50-K79 HydrophobicContact CG-CD 4.35Å; E50-K79 HydrophobicContact CG-CG 4.46Å; E50-K79 IonicContact OE1-NZ 3.57Å; E50-K79 PolarHBondContact OE1-NZ 2.96Å; E50-K79 IonicContact OE2-NZ 3.16Å
80G93.8Very high90.6Very high20 Ų2070.4 Ų70.421%0.20637%0.365CS..EExtended strand (participates in β ladder)trans-177.5174.8177.900000113.9E48 Y49E48-G80 WeakPolarHBondContact CA-O 3.41Å; Y49-G80 VanDerWaalsContact CD1-O 3.32Å; Y49-G80 WeakPolarHBondContact CD1-O 3.22Å; Y49-G80 PolarHBondContact N-O 3.44Å; Y49-G80 PolarHBondContact O-N 2.65Å
81K94.2Very high90.5Very high142 Ų14270.4 Ų70.462%0.61736%0.362SS*.EExtended strand (participates in β ladder)trans-121.6148.4172.4-59-177.6-167.4-116.80109.3G47 E48G47-K81 CarbonylContact O-C 3.51Å; G47-K81 VanDerWaalsContact O-CA 3.22Å; G47-K81 WeakPolarHBondContact O-CA 3.14Å; E48-K81 HydrophobicContact CB-CG 4.1Å; E48-K81 VanDerWaalsContact CD-NZ 3.3Å; E48-K81 HydrophobicContact CG-CG 3.98Å; E48-K81 WeakPolarHBondContact OE1-CE 3.13Å; E48-K81 IonicContact OE1-NZ 2.68Å; E48-K81 PolarHBondContact OE1-NZ 2.91Å; E48-K81 WeakPolarHBondContact OE2-CE 3.45Å; E48-K81 IonicContact OE2-NZ 3.02Å; E48-K81 PolarHBondContact OE2-NZ 2.94Å
82F93.6Very high90.5Very high11 Ų1168.1 Ų68.15%0.04835%0.35CS..EExtended strand (participates in β ladder)trans-132.515517260.2-97.3000109.8T46 G47 Y49 L61 I63 Y72 F84 L114 M116T46-F82 WeakPolarHBondContact CA-O 3.49Å; G47-F82 PolarHBondContact N-O 2.8Å; G47-F82 PolarHBondContact O-N 2.86Å; Y49-F82 AromaticContact CD1-CD1 3.91Å; Y49-F82 HydrophobicContact CD1-CD1 3.91Å; Y49-F82 HydrophobicContact CD1-CE1 4.14Å; Y49-F82 HydrophobicContact CE1-CD1 4.25Å; L61-F82 HydrophobicContact CD2-CD1 4.28Å; I63-F82 HydrophobicContact CD1-CB 4.47Å; I63-F82 HydrophobicContact CD1-CD1 4.01Å; I63-F82 HydrophobicContact CD1-CD2 3.45Å; I63-F82 VanDerWaalsContact CD1-CD2 3.45Å; I63-F82 HydrophobicContact CD1-CE1 4.05Å; I63-F82 HydrophobicContact CD1-CE2 3.51Å; I63-F82 HydrophobicContact CD1-CG 3.71Å; I63-F82 HydrophobicContact CD1-CZ 3.8Å; Y72-F82 HydrophobicContact CD1-CB 3.93Å; Y72-F82 HydrophobicContact CD1-CG 4.48Å; Y72-F82 HydrophobicContact CD2-CB 4.24Å; Y72-F82 HydrophobicContact CE1-CB 3.93Å; Y72-F82 HydrophobicContact CE2-CB 4.25Å; Y72-F82 HydrophobicContact CG-CB 4.09Å; F82-F84 HydrophobicContact CD2-CD1 4.05Å; F82-F84 AromaticContact CD2-CE1 3.99Å; F82-F84 HydrophobicContact CD2-CE1 3.99Å; F82-F84 HydrophobicContact CE2-CD1 4.4Å; F82-F84 AromaticContact CE2-CE1 3.88Å; F82-F84 HydrophobicContact CE2-CE1 3.88Å; F82-L114 HydrophobicContact CE1-CD1 4.04Å; F82-L114 HydrophobicContact CZ-CD1 4.12Å; F82-M116 HydrophobicContact CZ-SD 4.43Å
83A93.3Very high90.5Very high69 Ų6967.6 Ų67.657%0.5735%0.35SS*.EExtended strand (participates in β ladder)trans-145.7135.9174.700000109.1V45 T46V45-A83 VanDerWaalsContact O-CA 3.29Å; V45-A83 WeakPolarHBondContact O-CA 3.4Å; T46-A83 HydrophobicContact CG2-CB 3.9Å
84F92.1Very high90.5Very high19 Ų1964.1 Ų64.18%0.08333%0.326CS..EExtended strand (participates in β ladder)trans-149.3161.4173.163-90000109.5V45 I63 L71 F82 T86 F92V45-F84 HydrophobicContact CB-CD1 4.48Å; V45-F84 HydrophobicContact CB-CD2 4.32Å; V45-F84 HydrophobicContact CB-CE1 4.03Å; V45-F84 HydrophobicContact CB-CE2 3.87Å; V45-F84 HydrophobicContact CB-CZ 3.7Å; V45-F84 HydrophobicContact CG1-CE1 3.89Å; V45-F84 HydrophobicContact CG1-CE2 4.35Å; V45-F84 HydrophobicContact CG1-CZ 3.69Å; V45-F84 HydrophobicContact CG2-CE2 4.02Å; V45-F84 HydrophobicContact CG2-CZ 4.16Å; V45-F84 PolarHBondContact N-O 2.93Å; V45-F84 PolarHBondContact O-N 2.86Å; V45-F84 VanDerWaalsContact O-O 3.13Å; I63-F84 HydrophobicContact CD1-CD1 4.43Å; I63-F84 HydrophobicContact CD1-CE1 4.05Å; I63-F84 HydrophobicContact CG2-CE1 3.92Å; I63-F84 HydrophobicContact CG2-CZ 4.15Å; L71-F84 HydrophobicContact CD1-CD2 3.78Å; L71-F84 HydrophobicContact CD1-CE2 3.83Å; L71-F84 HydrophobicContact CD1-CG 4.37Å; L71-F84 HydrophobicContact CD1-CZ 4.45Å; F82-F84 HydrophobicContact CD2-CD1 4.05Å; F82-F84 AromaticContact CD2-CE1 3.99Å; F82-F84 HydrophobicContact CD2-CE1 3.99Å; F82-F84 HydrophobicContact CE2-CD1 4.4Å; F82-F84 AromaticContact CE2-CE1 3.88Å; F82-F84 HydrophobicContact CE2-CE1 3.88Å; F84-T86 HydrophobicContact CE2-CG2 4.3Å; F84-F92 AromaticContact CE2-CD1 3.87Å; F84-F92 HydrophobicContact CE2-CD1 3.87Å; F84-F92 HydrophobicContact CE2-CE1 4.09Å; F84-F92 HydrophobicContact CE2-CG 4.09Å; F84-F92 AromaticContact CZ-CD1 3.87Å; F84-F92 HydrophobicContact CZ-CD1 3.87Å; F84-F92 AromaticContact CZ-CD2 3.81Å; F84-F92 HydrophobicContact CZ-CD2 3.81Å; F84-F92 AromaticContact CZ-CE1 3.87Å; F84-F92 HydrophobicContact CZ-CE1 3.87Å; F84-F92 AromaticContact CZ-CE2 3.88Å; F84-F92 HydrophobicContact CZ-CE2 3.88Å; F84-F92 AromaticContact CZ-CG 3.82Å; F84-F92 HydrophobicContact CZ-CG 3.82Å; F84-F92 AromaticContact CZ-CZ 3.91Å; F84-F92 HydrophobicContact CZ-CZ 3.91Å
85T90.8Very high90.5Very high78 Ų7859.9 Ų59.948%0.47931%0.308SS..EExtended strand (participates in β ladder)trans-114.5136.6175-54.50000108.4V43V43-T85 WeakPolarHBondContact O-CA 3.32Å
86T88.3Confident90.6Very high10 Ų1052.6 Ų52.66%0.06127%0.274CS..  trans-72.6126.3177.750.50000110.5I39 H40 D42 V43 V45 F84 F92I39-T86 HydrophobicContact CB-CG2 4.27Å; I39-T86 HydrophobicContact CG2-CG2 3.88Å; H40-T86 PolarHBondContact O-OG1 3.06Å; D42-T86 VanDerWaalsContact CA-O 3.29Å; D42-T86 WeakPolarHBondContact CA-O 3.47Å; D42-T86 PolarHBondContact N-O 2.94Å; D42-T86 PolarHBondContact N-OG1 2.79Å; V43-T86 PolarHBondContact N-OG1 2.53Å; V43-T86 PolarHBondContact O-N 2.89Å; V43-T86 PolarHBondContact O-OG1 2.82Å; V45-T86 HydrophobicContact CG2-CG2 4.4Å; F84-T86 HydrophobicContact CE2-CG2 4.3Å; T86-F92 HydrophobicContact CG2-CD1 4.42Å
87E84.9Confident90.8Very high133 Ų13352.5 Ų52.562%0.62127%0.271SS*.  trans-83-38.7179.7-70.7-176.3-169.100112.2K41K41-E87 VanDerWaalsContact CG-O 3.27Å; K41-E87 WeakPolarHBondContact CG-O 3.47Å; K41-E87 PolarHBondContact NZ-O 3.47Å
88D82.1Confident90.7Very high92 Ų9252.3 Ų52.349%0.49227%0.27SS..SBendtrans-127.3168.1-179.7-76.3-41.3000111.1K41 D90K41-D88 IonicContact NZ-OD1 2.81Å; K41-D88 PolarHBondContact NZ-OD1 2.86Å; D88-D90 PolarHBondContact O-N 3.12Å
89Y77.1Confident90.6Very high111 Ų11153.7 Ų53.744%0.43527%0.27SS..SBendtrans-75.681.4176.6-146.1-69.7000108.7H40 K41 Y157H40-Y89 HydrophobicContact CB-CD2 4.23Å; H40-Y89 HydrophobicContact CB-CE2 3.69Å; H40-Y89 AromaticContact CD2-CE2 3.42Å; H40-Y89 VanDerWaalsContact CD2-CE2 3.42Å; H40-Y89 WeakPolarHBondContact CD2-CE2 3.34Å; H40-Y89 AromaticContact CD2-CZ 3.38Å; H40-Y89 PolarHBondContact CD2-OH 3.14Å; H40-Y89 PolarHBondContact CE1-OH 3.24Å; H40-Y89 VanDerWaalsContact CE1-OH 3.32Å; H40-Y89 AromaticContact CG-CE2 3.58Å; H40-Y89 AromaticContact CG-CZ 3.49Å; H40-Y89 VanDerWaalsContact CG-CZ 3.49Å; H40-Y89 AromaticContact ND1-CZ 3.96Å; H40-Y89 AromaticContact NE2-CZ 3.8Å; H40-Y89 PolarHBondContact NE2-OH 2.96Å; K41-Y89 HydrophobicContact CB-CD2 4.21Å; Y89-Y157 WeakPolarHBondContact OH-CE2 3.45Å; Y89-Y157 VanDerWaalsContact OH-CZ 3.24Å
90D78.8Confident90.1Very high36 Ų3648.9 Ų48.919%0.19325%0.251CS..EExtended strand (participates in β ladder)trans-142.2165.3-165.4-150.4-2.6000113.1I39 D65 S66 D88I39-D90 PolarHBondContact N-O 2.81Å; D65-D90 WeakPolarHBondContact OD1-CB 3.27Å; S66-D90 VanDerWaalsContact CB-CG 3.42Å; S66-D90 WeakPolarHBondContact CB-OD1 3.48Å; S66-D90 VanDerWaalsContact CB-OD2 3.27Å; S66-D90 WeakPolarHBondContact CB-OD2 3.34Å; S66-D90 PolarHBondContact OG-OD1 2.9Å; S66-D90 PolarHBondContact OG-OD2 2.85Å; D88-D90 PolarHBondContact O-N 3.12Å
91M89.3Confident89.2Confident56 Ų5653.5 Ų53.528%0.27628%0.277SS..EExtended strand (participates in β ladder)trans-89.8125176.3-71.4-179.2-74.700110.5R36 E37 E38 D65 S66R36-M91 HydrophobicContact CG-CB 4.2Å; R36-M91 HydrophobicContact CG-SD 4.32Å; E37-M91 VanDerWaalsContact O-CA 3.28Å; E37-M91 WeakPolarHBondContact O-CA 3.5Å; E38-M91 HydrophobicContact CB-CG 4.34Å; E38-M91 HydrophobicContact CG-CG 3.41Å; E38-M91 VanDerWaalsContact CG-CG 3.41Å; E38-M91 HydrophobicContact CG-SD 3.92Å; D65-M91 CarbonylContact C-O 3.53Å; S66-M91 PolarHBondContact N-O 2.76Å
92F92.6Very high87.8Confident2 Ų253 Ų531%0.00928%0.279CS..EExtended strand (participates in β ladder)trans-100.4155.6163.169.7-97.4000111.4R36 E37 I39 V45 I63 T64 L71 F84 T86 V94 M116R36-F92 WeakPolarHBondContact CA-O 3.38Å; E37-F92 HydrophobicContact CB-CZ 4.23Å; E37-F92 PolarHBondContact N-O 2.79Å; E37-F92 PolarHBondContact O-N 3.31Å; I39-F92 HydrophobicContact CB-CE1 4.08Å; I39-F92 HydrophobicContact CG1-CD1 4.36Å; I39-F92 HydrophobicContact CG1-CE1 3.52Å; I39-F92 HydrophobicContact CG1-CZ 4.22Å; V45-F92 HydrophobicContact CG1-CE1 4.41Å; V45-F92 HydrophobicContact CG1-CZ 3.98Å; V45-F92 HydrophobicContact CG2-CE1 3.99Å; V45-F92 HydrophobicContact CG2-CZ 4.35Å; I63-F92 HydrophobicContact CG2-CD2 4.38Å; T64-F92 CarbonylContact O-C 3.6Å; T64-F92 VanDerWaalsContact O-CA 3.29Å; T64-F92 WeakPolarHBondContact O-CA 3.41Å; L71-F92 HydrophobicContact CD1-CB 4.27Å; F84-F92 AromaticContact CE2-CD1 3.87Å; F84-F92 HydrophobicContact CE2-CD1 3.87Å; F84-F92 HydrophobicContact CE2-CE1 4.09Å; F84-F92 HydrophobicContact CE2-CG 4.09Å; F84-F92 AromaticContact CZ-CD1 3.87Å; F84-F92 HydrophobicContact CZ-CD1 3.87Å; F84-F92 AromaticContact CZ-CD2 3.81Å; F84-F92 HydrophobicContact CZ-CD2 3.81Å; F84-F92 AromaticContact CZ-CE1 3.87Å; F84-F92 HydrophobicContact CZ-CE1 3.87Å; F84-F92 AromaticContact CZ-CE2 3.88Å; F84-F92 HydrophobicContact CZ-CE2 3.88Å; F84-F92 AromaticContact CZ-CG 3.82Å; F84-F92 HydrophobicContact CZ-CG 3.82Å; F84-F92 AromaticContact CZ-CZ 3.91Å; F84-F92 HydrophobicContact CZ-CZ 3.91Å; T86-F92 HydrophobicContact CG2-CD1 4.42Å; F92-V94 HydrophobicContact CD2-CG2 3.86Å; F92-V94 HydrophobicContact CE2-CG2 3.74Å; F92-M116 HydrophobicContact CE2-CE 3.86Å; F92-M116 HydrophobicContact CE2-SD 3.78Å; F92-M116 HydrophobicContact CZ-CE 3.71Å; F92-M116 HydrophobicContact CZ-SD 3.89Å
93E94.3Very high86.3Confident55 Ų5554.1 Ų54.126%0.25729%0.293SS..EExtended strand (participates in β ladder)trans-126122.5178-172.4-179.5-14900109.7R32 C34 L35 R36 I63 T64R32-E93 IonicContact NH2-OE2 3.77Å; C34-E93 VanDerWaalsContact CB-CD 3.44Å; C34-E93 HydrophobicContact CB-CG 3.5Å; C34-E93 WeakPolarHBondContact CB-OE1 3.44Å; C34-E93 PolarHBondContact SG-OE1 2.92Å; C34-E93 VanDerWaalsContact SG-OE1 3.4Å; L35-E93 CarbonylContact O-C 3.45Å; L35-E93 VanDerWaalsContact O-CA 3.3Å; L35-E93 WeakPolarHBondContact O-CA 3.44Å; R36-E93 HydrophobicContact CB-CB 4.46Å; R36-E93 HydrophobicContact CB-CG 4.34Å; R36-E93 HydrophobicContact CG-CB 4.46Å; I63-E93 WeakPolarHBondContact CA-O 3.45Å; T64-E93 PolarHBondContact N-O 3.33Å; T64-E93 PolarHBondContact O-N 2.76Å
94V95.2Very high84.7Confident0 Ų057.9 Ų57.90%031%0.31CS..EExtended strand (participates in β ladder)trans-98106.7173.7-177.20000108.3C34 L35 L61 I63 F92 F96 L114 M116C34-V94 CarbonylContact C-O 3.53Å; C34-V94 VanDerWaalsContact CA-O 3.23Å; C34-V94 WeakPolarHBondContact CA-O 3.44Å; L35-V94 PolarHBondContact N-O 3.33Å; L35-V94 PolarHBondContact O-N 3.35Å; L61-V94 HydrophobicContact CD1-CG1 3.71Å; I63-V94 HydrophobicContact CD1-CG1 4.43Å; I63-V94 HydrophobicContact CD1-CG2 4.21Å; I63-V94 HydrophobicContact CG1-CG1 4.19Å; I63-V94 HydrophobicContact CG1-CG2 4.18Å; I63-V94 HydrophobicContact CG2-CG2 4.18Å; F92-V94 HydrophobicContact CD2-CG2 3.86Å; F92-V94 HydrophobicContact CE2-CG2 3.74Å; V94-F96 HydrophobicContact CG1-CE2 3.81Å; V94-F96 HydrophobicContact CG1-CZ 4.31Å; V94-L114 HydrophobicContact CG1-CD2 4.35Å; V94-M116 HydrophobicContact CG2-SD 4.31Å
95C95.6Very high83.4Confident9 Ų959.1 Ų59.16%0.06133%0.327CS..EExtended strand (participates in β ladder)trans-107.7133.5-177.6-71.90000112.7R32 K33 C34 L61 K62R32-C95 HydrophobicContact CG-CB 4.31Å; K33-C95 CarbonylContact O-C 3.56Å; K33-C95 WeakPolarHBondContact O-CA 3.46Å; C34-C95 HydrophobicContact CB-CB 4.09Å; C34-C95 WeakPolarHBondContact CB-SG 3.36Å; C34-C95 WeakPolarHBondContact SG-CB 3.24Å; C34-C95 CovalentContact SG-SG 2.04Å; C34-C95 PolarHBondContact SG-SG 3.39Å; L61-C95 WeakPolarHBondContact CA-O 3.31Å; L61-C95 WeakPolarHBondContact CD1-O 3.43Å; K62-C95 PolarHBondContact N-O 3.46Å; K62-C95 PolarHBondContact O-N 3.45Å
96F95.9Very high82.3Confident1 Ų167.9 Ų67.90%0.00435%0.352CS..EExtended strand (participates in β ladder)trans-109.1124167.4-62.2-96.7000109.2F25 L27 R32 K33 Y49 I51 T59 N60 L61 V94 V112 L114F25-F96 AromaticContact CZ-CD2 3.7Å; F25-F96 HydrophobicContact CZ-CD2 3.7Å; F25-F96 HydrophobicContact CZ-CE2 4.11Å; F25-F96 HydrophobicContact CZ-CG 4.33Å; L27-F96 HydrophobicContact CD2-CB 3.87Å; R32-F96 VanDerWaalsContact CA-O 3.31Å; R32-F96 WeakPolarHBondContact CA-O 3.05Å; K33-F96 PolarHBondContact N-O 3.46Å; K33-F96 PolarHBondContact O-N 2.75Å; Y49-F96 HydrophobicContact CD2-CE1 4.37Å; Y49-F96 HydrophobicContact CG-CE1 4.31Å; I51-F96 HydrophobicContact CD1-CD1 3.78Å; I51-F96 HydrophobicContact CD1-CE1 3.93Å; I51-F96 HydrophobicContact CG1-CE1 4.43Å; T59-F96 HydrophobicContact CG2-CB 4.32Å; N60-F96 WeakPolarHBondContact O-CA 3.42Å; L61-F96 HydrophobicContact CB-CD1 4.5Å; L61-F96 HydrophobicContact CB-CE1 4.48Å; L61-F96 HydrophobicContact CD1-CD1 4.08Å; L61-F96 HydrophobicContact CD1-CD2 4.38Å; L61-F96 HydrophobicContact CD1-CE1 3.76Å; L61-F96 HydrophobicContact CD1-CE2 4.08Å; L61-F96 HydrophobicContact CD1-CG 4.39Å; L61-F96 HydrophobicContact CD1-CZ 3.76Å; L61-F96 HydrophobicContact CD2-CE1 4.38Å; L61-F96 HydrophobicContact CG-CE1 4.43Å; V94-F96 HydrophobicContact CG1-CE2 3.81Å; V94-F96 HydrophobicContact CG1-CZ 4.31Å; F96-V112 HydrophobicContact CD1-CG1 3.99Å; F96-V112 HydrophobicContact CD2-CG1 4.27Å; F96-V112 HydrophobicContact CE1-CG1 3.79Å; F96-V112 HydrophobicContact CE2-CG1 4.08Å; F96-V112 HydrophobicContact CG-CG1 4.21Å; F96-V112 HydrophobicContact CZ-CG1 3.84Å; F96-L114 HydrophobicContact CE2-CD2 4.25Å; F96-L114 HydrophobicContact CZ-CD1 4.34Å
97E94.4Very high81.5Confident73 Ų7369.1 Ų69.134%0.34136%0.359SS..EExtended strand (participates in β ladder)trans-118.3115.3179.4-172.7-171-168.400109.5R32 T59 N60 K99R32-E97 HydrophobicContact CB-CG 4.44Å; R32-E97 HydrophobicContact CG-CB 4.24Å; T59-E97 CarbonylContact C-O 3.51Å; T59-E97 WeakPolarHBondContact CA-O 3.41Å; N60-E97 PolarHBondContact N-O 3.02Å; N60-E97 PolarHBondContact O-N 3.25Å; E97-K99 WeakPolarHBondContact OE1-CE 3.3Å; E97-K99 IonicContact OE1-NZ 2.75Å; E97-K99 VanDerWaalsContact OE2-CE 3.24Å; E97-K99 WeakPolarHBondContact OE2-CE 3.46Å; E97-K99 IonicContact OE2-NZ 2.69Å; E97-K99 PolarHBondContact OE2-NZ 3.3Å
98S91.8Very high81.3Confident1 Ų166.8 Ų66.81%0.00736%0.355CS..EExtended strand (participates in β ladder)trans-90.5132.2175.5-174.50000110.3N30 S31 Q110N30-S98 WeakPolarHBondContact CA-O 3.4Å; N30-S98 PolarHBondContact N-O 2.89Å; S31-S98 PolarHBondContact O-N 2.7Å; S98-Q110 PolarHBondContact OG-OE1 3.38Å
99K89.3Confident81.6Confident96 Ų9666.1 Ų66.142%0.41735%0.352SS..EExtended strand (participates in β ladder)trans-123.7127.4174.9-65.8-175.5-177.1173.30109.6K58 E97K58-K99 PolarHBondContact N-O 3.32Å; K58-K99 PolarHBondContact O-N 2.95Å; E97-K99 WeakPolarHBondContact OE1-CE 3.3Å; E97-K99 IonicContact OE1-NZ 2.75Å; E97-K99 VanDerWaalsContact OE2-CE 3.24Å; E97-K99 WeakPolarHBondContact OE2-CE 3.46Å; E97-K99 IonicContact OE2-NZ 2.69Å; E97-K99 PolarHBondContact OE2-NZ 3.3Å
100S84Confident82.2Confident12 Ų1261 Ų618%0.08433%0.332CS..  trans-129.3133.8173.5-1750000111.7N30 N56 M102N30-S100 PolarHBondContact OD1-N 3.19Å; N56-S100 WeakPolarHBondContact O-CB 3.43Å; N56-S100 PolarHBondContact O-OG 3.45Å; S100-M102 PolarHBondContact O-N 3.13Å
101P75.5Confident82.9Confident117 Ų11762.2 Ų62.276%0.7634%0.338SS*.THydrogen-bonded Turntrans-68.6-14.5177.926.8-33.1000113.9N56 G103N56-P101 WeakPolarHBondContact O-CD 3.31Å; P101-G103 PolarHBondContact O-N 3Å
102M64.9Low83.1Confident132 Ų13259.5 Ų59.565%0.6533%0.325SS*.THydrogen-bonded Turntrans-89.715.5-174.9-72.8-149.27600115.8S100S100-M102 PolarHBondContact O-N 3.13Å
103G62.3Low83.2Confident35 Ų3562 Ų6236%0.36134%0.338SS..THydrogen-bonded Turntrans61.4-154.4-179.600000113P101 G105P101-G103 PolarHBondContact O-N 3Å; G103-G105 PolarHBondContact O-N 2.88Å; G103-G105 VanDerWaalsContact O-N 3.11Å
104T60.4Low83.2Confident148 Ų14859.4 Ų59.491%0.90833%0.326SS*.THydrogen-bonded Turntrans-81.732.8179.456.60000113.5
105G63.6Low83.1Confident44 Ų4461.9 Ų61.945%0.45434%0.339SS..SBendtrans-59.7168170.600000111.5G103 V107G103-G105 PolarHBondContact O-N 2.88Å; G103-G105 VanDerWaalsContact O-N 3.11Å; G105-V107 PolarHBondContact O-N 3.33Å
106R66.9Low82.9Confident263 Ų26363 Ų6399%0.99234%0.344SS*.SBendtrans-66.166.5175.5-78.4-178.6166.8143.1-4.1111.8
107V72.3Confident82.7Confident36 Ų3666.1 Ų66.122%0.21836%0.358CS..PPolyproline II helixtrans-91.9128.1169.3-171.90000106.6V29 T57 G105V29-V107 HydrophobicContact CG2-CB 3.62Å; V29-V107 HydrophobicContact CG2-CG1 3.54Å; T57-V107 HydrophobicContact CG2-CG1 3.59Å; G105-V107 PolarHBondContact O-N 3.33Å
108P81.8Confident82.5Confident84 Ų8467.1 Ų67.155%0.54536%0.362SS..PPolyproline II helixtrans-63.7158.6176.824.8-30.8000111.2Q54Q54-P108 HydrophobicContact CG-CG 4.35Å; Q54-P108 PolarHBondContact OE1-O 3.5Å
109D86.9Confident82.3Confident77 Ų7767.8 Ų67.841%0.41237%0.369SS..PPolyproline II helixtrans-72.3140175.3-66.3-15.5000110.4F26 P28 Q54F26-D109 HydrophobicContact CB-CB 4.1Å; F26-D109 HydrophobicContact CD1-CB 4.26Å; P28-D109 WeakPolarHBondContact CA-OD1 3.49Å; Q54-D109 PolarHBondContact NE2-O 3Å
110Q90.6Very high82.2Confident5 Ų564.3 Ų64.32%0.02336%0.356CS..EExtended strand (participates in β ladder)trans-79.5133.9175.3-67.3-179.6-74.900109.8F26 L27 I51 S52 Q54 T57 T59 S98F26-Q110 CarbonylContact C-O 3.53Å; F26-Q110 WeakPolarHBondContact CA-O 3.29Å; L27-Q110 HydrophobicContact CB-CB 4.49Å; L27-Q110 PolarHBondContact N-O 3.25Å; L27-Q110 PolarHBondContact O-N 3.18Å; I51-Q110 HydrophobicContact CG2-CB 4.4Å; S52-Q110 PolarHBondContact O-NE2 3.33Å; Q54-Q110 HydrophobicContact CB-CG 4.31Å; Q54-Q110 HydrophobicContact CG-CG 4.33Å; T57-Q110 PolarHBondContact OG1-NE2 3Å; T59-Q110 PolarHBondContact OG1-NE2 3.46Å; T59-Q110 PolarHBondContact OG1-OE1 2.91Å; S98-Q110 PolarHBondContact OG-OE1 3.38Å
111L92.8Very high82.2Confident60 Ų6069.1 Ų69.131%0.31438%0.377SS..EExtended strand (participates in β ladder)trans-84.3124.9169.7-174.766.8000109.3F26 S52F26-L111 HydrophobicContact CD1-CD1 4.1Å; F26-L111 HydrophobicContact CE1-CB 4.39Å; F26-L111 HydrophobicContact CE1-CD1 3.88Å; F26-L111 HydrophobicContact CE2-CD1 4.41Å; F26-L111 HydrophobicContact CG-CD1 4.46Å; F26-L111 HydrophobicContact CZ-CD1 4.04Å; S52-L111 PolarHBondContact N-O 3.16Å
112V94.8Very high82.6Confident0 Ų064 Ų640%035%0.345CS..EExtended strand (participates in β ladder)trans-110.1122.9174.2179.70000108.3S24 F25 L27 I51 F96S24-V112 WeakPolarHBondContact CA-O 3.46Å; F25-V112 HydrophobicContact CD2-CB 4.31Å; F25-V112 HydrophobicContact CE1-CB 4.16Å; F25-V112 HydrophobicContact CE1-CG1 3.97Å; F25-V112 HydrophobicContact CE2-CB 3.88Å; F25-V112 HydrophobicContact CE2-CG1 4.27Å; F25-V112 HydrophobicContact CE2-CG2 4.1Å; F25-V112 HydrophobicContact CZ-CB 3.8Å; F25-V112 HydrophobicContact CZ-CG1 3.69Å; F25-V112 HydrophobicContact CZ-CG2 4.34Å; F25-V112 PolarHBondContact N-O 3.28Å; F25-V112 PolarHBondContact O-N 3.29Å; L27-V112 HydrophobicContact CB-CG2 3.94Å; L27-V112 HydrophobicContact CD2-CG2 4.13Å; I51-V112 HydrophobicContact CG1-CG1 4.27Å; I51-V112 HydrophobicContact CG1-CG2 4.21Å; I51-V112 HydrophobicContact CG2-CG2 4.23Å; F96-V112 HydrophobicContact CD1-CG1 3.99Å; F96-V112 HydrophobicContact CD2-CG1 4.27Å; F96-V112 HydrophobicContact CE1-CG1 3.79Å; F96-V112 HydrophobicContact CE2-CG1 4.08Å; F96-V112 HydrophobicContact CG-CG1 4.21Å; F96-V112 HydrophobicContact CZ-CG1 3.84Å
113N94.7Very high83.6Confident53 Ų5361.7 Ų61.728%0.28333%0.331SS..EExtended strand (participates in β ladder)trans-103.3127.6168.4-63-32000108.4S24 Y49 E50S24-N113 VanDerWaalsContact CB-OD1 3.25Å; S24-N113 WeakPolarHBondContact CB-OD1 3.42Å; Y49-N113 CarbonylContact C-O 3.56Å; Y49-N113 VanDerWaalsContact CA-O 3.27Å; Y49-N113 WeakPolarHBondContact CA-O 3.29Å; E50-N113 HydrophobicContact CB-CB 4.49Å; E50-N113 PolarHBondContact N-O 3.41Å; E50-N113 PolarHBondContact O-N 3.28Å
114L94.1Very high84.7Confident1 Ų163.4 Ų63.41%0.00533%0.332CS..EExtended strand (participates in β ladder)trans-128.1120.3177.3175.866.4000108.5S22 I23 L35 F82 V94 F96S22-L114 PolarHBondContact OG-O 3.01Å; I23-L114 PolarHBondContact N-O 3.02Å; I23-L114 PolarHBondContact O-N 3.41Å; L35-L114 HydrophobicContact CD2-CD2 3.88Å; F82-L114 HydrophobicContact CE1-CD1 4.04Å; F82-L114 HydrophobicContact CZ-CD1 4.12Å; V94-L114 HydrophobicContact CG1-CD2 4.35Å; F96-L114 HydrophobicContact CE2-CD2 4.25Å; F96-L114 HydrophobicContact CZ-CD1 4.34Å
115D92.9Very high85.9Confident52 Ų5257.4 Ų57.428%0.27829%0.293SS..EExtended strand (participates in β ladder)trans-109.1127.9167.8-174.5-6.6000107.6G47 E48G47-D115 CarbonylContact C-O 3.52Å; G47-D115 WeakPolarHBondContact CA-O 3.19Å; E48-D115 PolarHBondContact N-O 3.31Å; E48-D115 PolarHBondContact O-N 3.45Å
116M91.3Very high86.9Confident33 Ų3361.9 Ų61.916%0.16330%0.302CS..EExtended strand (participates in β ladder)trans-137133.2-177-163.1169.468.200109.8L35 E37 V45 T46 F82 F92 V94L35-M116 HydrophobicContact CD2-CE 4.23Å; E37-M116 WeakPolarHBondContact OE2-CE 3.49Å; V45-M116 HydrophobicContact CG1-CG 3.85Å; V45-M116 HydrophobicContact CG1-SD 3.91Å; T46-M116 WeakPolarHBondContact O-CA 3.48Å; F82-M116 HydrophobicContact CZ-SD 4.43Å; F92-M116 HydrophobicContact CE2-CE 3.86Å; F92-M116 HydrophobicContact CE2-SD 3.78Å; F92-M116 HydrophobicContact CZ-CE 3.71Å; F92-M116 HydrophobicContact CZ-SD 3.89Å; V94-M116 HydrophobicContact CG2-SD 4.31Å
117K91.1Very high87.8Confident67 Ų6755.1 Ų55.129%0.29128%0.282SS..EExtended strand (participates in β ladder)trans-126.3145.6-177-62.4167.3-175.8-82.10108.9V45 T46 E121 A122V45-K117 WeakPolarHBondContact CA-O 3.21Å; T46-K117 PolarHBondContact N-O 3.46Å; T46-K117 PolarHBondContact O-N 3.31Å; K117-E121 HydrophobicContact CB-CB 4.23Å; K117-E121 HydrophobicContact CB-CG 4.28Å; K117-E121 HydrophobicContact CD-CG 4.16Å; K117-E121 HydrophobicContact CG-CG 4.13Å; K117-E121 IonicContact NZ-OE1 3.91Å; K117-E121 PolarHBondContact NZ-OE1 2.82Å; K117-A122 HydrophobicContact CB-CB 4.35Å
118H90.8Very high88.3Confident93 Ų9356.1 Ų56.143%0.43129%0.285SS..EExtended strand (participates in β ladder)trans-129.7149.5-178.752.968.8000111.8V43 L44 V120 E121V43-H118 HydrophobicContact CG1-CB 4.2Å; L44-H118 CarbonylContact O-C 3.55Å; L44-H118 WeakPolarHBondContact O-CA 3.1Å; H118-V120 PolarHBondContact O-N 2.87Å; H118-E121 PolarHBondContact O-N 3.34Å
119G87.7Confident88.4Confident16 Ų1653 Ų5317%0.16527%0.267CS..G310 helixtrans60.7-123.1173.200000112.9L44 E121 A122 K123L44-G119 PolarHBondContact O-N 2.69Å; G119-E121 VanDerWaalsContact C-N 3.26Å; G119-E121 PolarHBondContact O-N 2.86Å; G119-A122 WeakPolarHBondContact O-CB 2.81Å; G119-A122 PolarHBondContact O-N 2.82Å; G119-A122 VanDerWaalsContact O-N 3.13Å; G119-K123 PolarHBondContact O-N 3.44Å
120V86.4Confident88.4Confident23 Ų2356.6 Ų56.614%0.13928%0.279CS..G310 helixtrans-61.9-33.9-175.6-177.40000111.8H118 A122 K123 Y125 D146 L147H118-V120 PolarHBondContact O-N 2.87Å; V120-A122 VanDerWaalsContact C-N 3.33Å; V120-K123 PolarHBondContact O-N 2.91Å; V120-Y125 HydrophobicContact CG1-CE2 4.27Å; V120-Y125 WeakPolarHBondContact CG1-OH 3.29Å; V120-D146 HydrophobicContact CG1-CB 4.39Å; V120-D146 HydrophobicContact CG2-CB 4.27Å; V120-L147 HydrophobicContact CG1-CB 4.29Å
121E83.9Confident88.2Confident112 Ų11262.1 Ų62.152%0.52331%0.312SS..G310 helixtrans-74.9-24.5178.9-157.5-170.6156.100112.8K117 H118 G119 K123K117-E121 HydrophobicContact CB-CB 4.23Å; K117-E121 HydrophobicContact CB-CG 4.28Å; K117-E121 HydrophobicContact CD-CG 4.16Å; K117-E121 HydrophobicContact CG-CG 4.13Å; K117-E121 IonicContact NZ-OE1 3.91Å; K117-E121 PolarHBondContact NZ-OE1 2.82Å; H118-E121 PolarHBondContact O-N 3.34Å; G119-E121 VanDerWaalsContact C-N 3.26Å; G119-E121 PolarHBondContact O-N 2.86Å; E121-K123 VanDerWaalsContact C-N 3.34Å
122A85.3Confident87.9Confident11 Ų1165.1 Ų65.19%0.09133%0.325CS..G310 helixtrans-78.1-18.417700000113L44 T46 K117 G119 V120L44-A122 HydrophobicContact CB-CB 4.43Å; L44-A122 HydrophobicContact CD2-CB 4.15Å; L44-A122 HydrophobicContact CG-CB 4.04Å; L44-A122 WeakPolarHBondContact O-CB 2.98Å; T46-A122 HydrophobicContact CG2-CB 3.93Å; T46-A122 WeakPolarHBondContact OG1-CA 3.27Å; T46-A122 WeakPolarHBondContact OG1-CB 3.28Å; K117-A122 HydrophobicContact CB-CB 4.35Å; G119-A122 WeakPolarHBondContact O-CB 2.81Å; G119-A122 PolarHBondContact O-N 2.82Å; G119-A122 VanDerWaalsContact O-N 3.13Å; V120-A122 VanDerWaalsContact C-N 3.33Å
123K85.3Confident87.5Confident82 Ų8273.9 Ų73.936%0.35736%0.363SS..SBendtrans-77.5130-177.5-68.3-174-172.8-178.10111.9L44 G119 V120 E121 Y125 D146L44-K123 HydrophobicContact CD2-CG 4.35Å; G119-K123 PolarHBondContact O-N 3.44Å; V120-K123 PolarHBondContact O-N 2.91Å; E121-K123 VanDerWaalsContact C-N 3.34Å; K123-Y125 HydrophobicContact CB-CD2 4.34Å; K123-Y125 HydrophobicContact CB-CE2 3.87Å; K123-Y125 WeakPolarHBondContact O-CD2 3.36Å; K123-Y125 PolarHBondContact O-N 2.79Å; K123-D146 IonicContact NZ-OD2 3.54Å; K123-D146 PolarHBondContact NZ-OD2 3.46Å
124N85.9Confident87Confident71 Ų7173.6 Ų73.638%0.3836%0.361SS..  trans-86.388.8172.6-168.3-17.6000111.4E126 E127 I128N124-E126 PolarHBondContact O-N 2.78Å; N124-E126 WeakPolarHBondContact OD1-CB 3.3Å; N124-E126 PolarHBondContact OD1-N 3.05Å; N124-E127 HydrophobicContact CB-CB 4.33Å; N124-E127 HydrophobicContact CB-CG 4.46Å; N124-E127 VanDerWaalsContact ND2-CD 3.32Å; N124-E127 WeakPolarHBondContact ND2-CG 2.89Å; N124-E127 PolarHBondContact ND2-OE1 2.92Å; N124-E127 PolarHBondContact O-N 3.24Å; N124-E127 PolarHBondContact OD1-N 2.81Å; N124-I128 WeakPolarHBondContact O-CG1 3.06Å; N124-I128 PolarHBondContact O-N 2.87Å
125Y84.9Confident86.8Confident22 Ų2279.8 Ų79.89%0.08639%0.388CS..Hα-helixtrans-62.3-25.2179-73.2-81.9000113.8V120 K123 A129 R143 D146V120-Y125 HydrophobicContact CG1-CE2 4.27Å; V120-Y125 WeakPolarHBondContact CG1-OH 3.29Å; K123-Y125 HydrophobicContact CB-CD2 4.34Å; K123-Y125 HydrophobicContact CB-CE2 3.87Å; K123-Y125 WeakPolarHBondContact O-CD2 3.36Å; K123-Y125 PolarHBondContact O-N 2.79Å; Y125-A129 VanDerWaalsContact O-CB 3.24Å; Y125-A129 WeakPolarHBondContact O-CB 3.07Å; Y125-A129 PolarHBondContact O-N 3.4Å; Y125-R143 HydrophobicContact CD1-CB 4.14Å; Y125-R143 HydrophobicContact CD2-CB 4.48Å; Y125-R143 HydrophobicContact CD2-CG 4.15Å; Y125-R143 HydrophobicContact CE1-CB 3.93Å; Y125-R143 HydrophobicContact CE1-CG 4.35Å; Y125-R143 HydrophobicContact CE2-CB 4.26Å; Y125-R143 HydrophobicContact CE2-CG 3.79Å; Y125-R143 HydrophobicContact CG-CB 4.43Å; Y125-D146 VanDerWaalsContact OH-CB 3.31Å; Y125-D146 WeakPolarHBondContact OH-CB 3.17Å; Y125-D146 PolarHBondContact OH-OD2 2.8Å
126E85.1Confident86.5Confident139 Ų13982.5 Ų82.565%0.6541%0.408SS*.Hα-helixtrans-70.7-36.7177.9-59.2-177.9179.900112.1N124 K130N124-E126 PolarHBondContact O-N 2.78Å; N124-E126 WeakPolarHBondContact OD1-CB 3.3Å; N124-E126 PolarHBondContact OD1-N 3.05Å; E126-K130 VanDerWaalsContact O-CG 3.31Å; E126-K130 WeakPolarHBondContact O-CG 3.41Å; E126-K130 PolarHBondContact O-N 2.9Å
127E84.4Confident86.4Confident121 Ų12186.6 Ų86.657%0.56543%0.43SS*.Hα-helixtrans-70.4-44.1174.9-77.1179-167.700111.2N124 A129 K130 V131N124-E127 HydrophobicContact CB-CB 4.33Å; N124-E127 HydrophobicContact CB-CG 4.46Å; N124-E127 VanDerWaalsContact ND2-CD 3.32Å; N124-E127 WeakPolarHBondContact ND2-CG 2.89Å; N124-E127 PolarHBondContact ND2-OE1 2.92Å; N124-E127 PolarHBondContact O-N 3.24Å; N124-E127 PolarHBondContact OD1-N 2.81Å; E127-A129 VanDerWaalsContact C-N 3.3Å; E127-A129 PolarHBondContact O-N 2.04Å; E127-K130 PolarHBondContact O-N 3.28Å; E127-K130 VanDerWaalsContact O-N 3.12Å; E127-V131 WeakPolarHBondContact O-CG2 3.23Å; E127-V131 PolarHBondContact O-N 2.82Å
128I83.6Confident86.2Confident56 Ų5686.9 Ų86.929%0.28743%0.433SS..Hα-helixtrans-58.4-45.5175.6-61.9168.1000110N124 K130 V131 E132N124-I128 WeakPolarHBondContact O-CG1 3.06Å; N124-I128 PolarHBondContact O-N 2.87Å; I128-K130 VanDerWaalsContact C-N 3.28Å; I128-K130 PolarHBondContact O-N 3.27Å; I128-V131 PolarHBondContact O-N 2.84Å; I128-E132 HydrophobicContact CG2-CG 4.42Å; I128-E132 WeakPolarHBondContact O-CB 3.31Å; I128-E132 PolarHBondContact O-N 3.19Å
129A83.6Confident86.1Confident19 Ų1983.6 Ų83.616%0.15742%0.419CS..Hα-helixtrans-57.6-38.717700000113.2Y125 E127 K133 L134 V139Y125-A129 VanDerWaalsContact O-CB 3.24Å; Y125-A129 WeakPolarHBondContact O-CB 3.07Å; Y125-A129 PolarHBondContact O-N 3.4Å; E127-A129 VanDerWaalsContact C-N 3.3Å; E127-A129 PolarHBondContact O-N 2.04Å; A129-K133 CarbonylContact O-C 3.58Å; A129-K133 WeakPolarHBondContact O-CA 3.41Å; A129-K133 PolarHBondContact O-N 3.43Å; A129-L134 PolarHBondContact O-N 3.21Å; A129-L134 VanDerWaalsContact O-N 3.07Å; A129-V139 HydrophobicContact CB-CG1 4.42Å; A129-V139 HydrophobicContact CB-CG2 3.38Å
130K86.6Confident86.1Confident153 Ų15389 Ų8967%0.66544%0.44SS*.Hα-helixtrans-70.8-41.1178.2-73167.4-173.6166.70112.1E126 E127 I128E126-K130 VanDerWaalsContact O-CG 3.31Å; E126-K130 WeakPolarHBondContact O-CG 3.41Å; E126-K130 PolarHBondContact O-N 2.9Å; E127-K130 PolarHBondContact O-N 3.28Å; E127-K130 VanDerWaalsContact O-N 3.12Å; I128-K130 VanDerWaalsContact C-N 3.28Å; I128-K130 PolarHBondContact O-N 3.27Å
131V87.8Confident86.3Confident120 Ų12092.9 Ų92.973%0.72746%0.459SS*.Hα-helixtrans-70.3-47.7-178.8174.30000110.9E127 I128 K133E127-V131 WeakPolarHBondContact O-CG2 3.23Å; E127-V131 PolarHBondContact O-N 2.82Å; I128-V131 PolarHBondContact O-N 2.84Å; V131-K133 VanDerWaalsContact C-N 3.32Å
132E85.9Confident86.6Confident124 Ų12492.2 Ų92.258%0.57945%0.452SS*.Hα-helixtrans-85.7-5.3-178.2-66.2-173.9177.200113.3I128 L134I128-E132 HydrophobicContact CG2-CG 4.42Å; I128-E132 WeakPolarHBondContact O-CB 3.31Å; I128-E132 PolarHBondContact O-N 3.19Å; E132-L134 VanDerWaalsContact C-N 3.26Å; E132-L134 HydrophobicContact CB-CD1 4.2Å; E132-L134 HydrophobicContact CB-CD2 4.2Å; E132-L134 HydrophobicContact CB-CG 3.79Å; E132-L134 PolarHBondContact O-N 2.87Å
133K86.1Confident86.8Confident184 Ų18498.6 Ų98.680%0.847%0.474SS*.THydrogen-bonded Turntrans54.241.5-178.2-57178.6-178.1175.40112.7A129 V131A129-K133 CarbonylContact O-C 3.58Å; A129-K133 WeakPolarHBondContact O-CA 3.41Å; A129-K133 PolarHBondContact O-N 3.43Å; V131-K133 VanDerWaalsContact C-N 3.32Å
134L84.4Confident87.1Confident47 Ų4799.9 Ų99.925%0.24648%0.484CS..  trans-71.8146.9179.6-61.5173.7000110.8A129 E132 E138 V139A129-L134 PolarHBondContact O-N 3.21Å; A129-L134 VanDerWaalsContact O-N 3.07Å; E132-L134 VanDerWaalsContact C-N 3.26Å; E132-L134 HydrophobicContact CB-CD1 4.2Å; E132-L134 HydrophobicContact CB-CD2 4.2Å; E132-L134 HydrophobicContact CB-CG 3.79Å; E132-L134 PolarHBondContact O-N 2.87Å; L134-E138 HydrophobicContact CB-CB 4.29Å; L134-E138 HydrophobicContact CD2-CB 4.48Å; L134-V139 HydrophobicContact CB-CG2 3.68Å; L134-V139 HydrophobicContact CD1-CG2 4.23Å
135K88.9Confident87.3Confident131 Ų131101.3 Ų101.357%0.5749%0.488SS*.  trans-70.3153.6169.3-63.5-175.8-158.6106.50110.1L137 E138 V139K135-L137 PolarHBondContact O-N 2.99Å; K135-L137 VanDerWaalsContact O-N 3.08Å; K135-E138 HydrophobicContact CB-CB 4.49Å; K135-E138 HydrophobicContact CB-CG 4.21Å; K135-E138 PolarHBondContact N-OE2 3.02Å; K135-E138 IonicContact NZ-OE1 2.84Å; K135-E138 PolarHBondContact NZ-OE1 2.95Å; K135-E138 WeakPolarHBondContact O-CB 3.1Å; K135-E138 PolarHBondContact O-N 3.17Å; K135-V139 WeakPolarHBondContact O-CG2 3.23Å; K135-V139 PolarHBondContact O-N 3.47Å; K135-V139 VanDerWaalsContact O-N 3.13Å
136P87.1Confident87.6Confident108 Ų108100.8 Ų100.870%0.70149%0.487SS*.Hα-helixtrans-50.8-39.1177.6-27.934.5000113.8V139 E140P136-V139 PolarHBondContact O-N 3.27Å; P136-E140 PolarHBondContact O-N 3.47Å
137L89.1Confident87.9Confident119 Ų11998 Ų9862%0.62348%0.476SS*.Hα-helixtrans-67.2-37.9176.6-174.767.6000113.2K135 V139 E140 L141K135-L137 PolarHBondContact O-N 2.99Å; K135-L137 VanDerWaalsContact O-N 3.08Å; L137-V139 VanDerWaalsContact C-N 3.32Å; L137-E140 PolarHBondContact O-N 2.93Å; L137-L141 WeakPolarHBondContact O-CG 3.35Å; L137-L141 PolarHBondContact O-N 2.89Å; L137-L141 VanDerWaalsContact O-N 3.14Å
138E87.3Confident88.3Confident73 Ų7395.5 Ų95.534%0.34147%0.472SS..Hα-helixtrans-69.1-33.9-179.9-68.9161.9-169.400110.8L134 K135 L141 R142L134-E138 HydrophobicContact CB-CB 4.29Å; L134-E138 HydrophobicContact CD2-CB 4.48Å; K135-E138 HydrophobicContact CB-CB 4.49Å; K135-E138 HydrophobicContact CB-CG 4.21Å; K135-E138 PolarHBondContact N-OE2 3.02Å; K135-E138 IonicContact NZ-OE1 2.84Å; K135-E138 PolarHBondContact NZ-OE1 2.95Å; K135-E138 WeakPolarHBondContact O-CB 3.1Å; K135-E138 PolarHBondContact O-N 3.17Å; E138-L141 PolarHBondContact O-N 2.91Å; E138-R142 WeakPolarHBondContact O-CB 3.44Å; E138-R142 PolarHBondContact O-N 2.95Å
139V88.7Confident88.7Confident25 Ų2598 Ų9815%0.15248%0.483CS..Hα-helixtrans-64.7-44.5175.2-179.50000111.5A129 L134 K135 P136 L137 R142 R143A129-V139 HydrophobicContact CB-CG1 4.42Å; A129-V139 HydrophobicContact CB-CG2 3.38Å; L134-V139 HydrophobicContact CB-CG2 3.68Å; L134-V139 HydrophobicContact CD1-CG2 4.23Å; K135-V139 WeakPolarHBondContact O-CG2 3.23Å; K135-V139 PolarHBondContact O-N 3.47Å; K135-V139 VanDerWaalsContact O-N 3.13Å; P136-V139 PolarHBondContact O-N 3.27Å; L137-V139 VanDerWaalsContact C-N 3.32Å; V139-R142 PolarHBondContact O-N 3.48Å; V139-R143 PolarHBondContact O-N 2.96Å
140E88.7Confident88.9Confident129 Ų12999 Ų9960%0.60349%0.488SS*.Hα-helixtrans-63.4-43.3177.2-71.9-177.3177.600111.6P136 L137 R142 R143 L144P136-E140 PolarHBondContact O-N 3.47Å; L137-E140 PolarHBondContact O-N 2.93Å; E140-R142 VanDerWaalsContact C-N 3.34Å; E140-R142 PolarHBondContact O-N 3.28Å; E140-R143 PolarHBondContact O-N 3.25Å; E140-L144 WeakPolarHBondContact O-CG 3.33Å; E140-L144 PolarHBondContact O-N 3.44Å
141L90.9Very high89.1Confident104 Ų10495.2 Ų95.255%0.54548%0.475SS..Hα-helixtrans-60.9-43.2175.1-72174.5000111.8L137 E138 R143 L144 E145L137-L141 WeakPolarHBondContact O-CG 3.35Å; L137-L141 PolarHBondContact O-N 2.89Å; L137-L141 VanDerWaalsContact O-N 3.14Å; E138-L141 PolarHBondContact O-N 2.91Å; L141-R143 VanDerWaalsContact C-N 3.34Å; L141-R143 PolarHBondContact O-N 3.49Å; L141-L144 PolarHBondContact O-N 3.45Å; L141-E145 WeakPolarHBondContact O-CB 3.49Å; L141-E145 PolarHBondContact O-N 3.32Å
142R89.2Confident89.4Confident99 Ų9993.6 Ų93.637%0.37447%0.465SS..Hα-helixtrans-63.5-39.9177.7-172.867.9-160.4161.510.5112.2E138 V139 E140 E145 D146E138-R142 WeakPolarHBondContact O-CB 3.44Å; E138-R142 PolarHBondContact O-N 2.95Å; V139-R142 PolarHBondContact O-N 3.48Å; E140-R142 VanDerWaalsContact C-N 3.34Å; E140-R142 PolarHBondContact O-N 3.28Å; R142-E145 IonicContact CZ-OE2 3.87Å; R142-E145 IonicContact NE-OE2 3.31Å; R142-E145 IonicContact NH1-OE1 3.02Å; R142-E145 PolarHBondContact NH1-OE1 2.88Å; R142-E145 IonicContact NH1-OE2 2.79Å; R142-E145 PolarHBondContact NH1-OE2 3.32Å; R142-E145 PolarHBondContact O-N 2.96Å; R142-D146 IonicContact CZ-OD1 3.33Å; R142-D146 IonicContact NE-OD1 3.35Å; R142-D146 PolarHBondContact NE-OD1 3.06Å; R142-D146 IonicContact NH2-OD1 2.83Å; R142-D146 PolarHBondContact NH2-OD1 3.03Å; R142-D146 PolarHBondContact O-N 2.85Å
143R88.9Confident89.6Confident144 Ų14492.1 Ų92.154%0.54346%0.461SS..Hα-helixtrans-63.3-41.5175.2-175.1177.4-178.1-174.11.8111.9Y125 V139 E140 L141 L147Y125-R143 HydrophobicContact CD1-CB 4.14Å; Y125-R143 HydrophobicContact CD2-CB 4.48Å; Y125-R143 HydrophobicContact CD2-CG 4.15Å; Y125-R143 HydrophobicContact CE1-CB 3.93Å; Y125-R143 HydrophobicContact CE1-CG 4.35Å; Y125-R143 HydrophobicContact CE2-CB 4.26Å; Y125-R143 HydrophobicContact CE2-CG 3.79Å; Y125-R143 HydrophobicContact CG-CB 4.43Å; V139-R143 PolarHBondContact O-N 2.96Å; E140-R143 PolarHBondContact O-N 3.25Å; L141-R143 VanDerWaalsContact C-N 3.34Å; L141-R143 PolarHBondContact O-N 3.49Å; R143-L147 VanDerWaalsContact O-CB 3.29Å; R143-L147 WeakPolarHBondContact O-CB 3.25Å; R143-L147 PolarHBondContact O-N 2.96Å
144L91.3Very high89.6Confident110 Ų11086.5 Ų86.558%0.57644%0.44SS*.Hα-helixtrans-68.1-37.5177-70.1174.9000112.4E140 L141 L147 S148E140-L144 WeakPolarHBondContact O-CG 3.33Å; E140-L144 PolarHBondContact O-N 3.44Å; L141-L144 PolarHBondContact O-N 3.45Å; L144-L147 PolarHBondContact O-N 2.9Å; L144-S148 VanDerWaalsContact O-CB 3.31Å; L144-S148 WeakPolarHBondContact O-CB 3.43Å; L144-S148 PolarHBondContact O-N 2.79Å
145E91.6Very high90Very high100 Ų10091.1 Ų91.147%0.46746%0.458SS..Hα-helixtrans-61.3-54.5174.6-175.3-172.5176.800110.9L141 R142 L147 S148 E149L141-E145 WeakPolarHBondContact O-CB 3.49Å; L141-E145 PolarHBondContact O-N 3.32Å; R142-E145 IonicContact CZ-OE2 3.87Å; R142-E145 IonicContact NE-OE2 3.31Å; R142-E145 IonicContact NH1-OE1 3.02Å; R142-E145 PolarHBondContact NH1-OE1 2.88Å; R142-E145 IonicContact NH1-OE2 2.79Å; R142-E145 PolarHBondContact NH1-OE2 3.32Å; R142-E145 PolarHBondContact O-N 2.96Å; E145-L147 VanDerWaalsContact C-N 3.29Å; E145-L147 PolarHBondContact O-N 2.84Å; E145-S148 PolarHBondContact O-N 2.63Å; E145-S148 VanDerWaalsContact O-N 3.13Å; E145-E149 PolarHBondContact O-N 2.83Å
146D90.4Very high90.1Very high12 Ų1287.7 Ų87.76%0.06445%0.454CS..Hα-helixtrans-58.6-40.3178-80.76.2000111.5V120 K123 Y125 R142 S150V120-D146 HydrophobicContact CG1-CB 4.39Å; V120-D146 HydrophobicContact CG2-CB 4.27Å; K123-D146 IonicContact NZ-OD2 3.54Å; K123-D146 PolarHBondContact NZ-OD2 3.46Å; Y125-D146 VanDerWaalsContact OH-CB 3.31Å; Y125-D146 WeakPolarHBondContact OH-CB 3.17Å; Y125-D146 PolarHBondContact OH-OD2 2.8Å; R142-D146 IonicContact CZ-OD1 3.33Å; R142-D146 IonicContact NE-OD1 3.35Å; R142-D146 PolarHBondContact NE-OD1 3.06Å; R142-D146 IonicContact NH2-OD1 2.83Å; R142-D146 PolarHBondContact NH2-OD1 3.03Å; R142-D146 PolarHBondContact O-N 2.85Å; D146-S150 WeakPolarHBondContact O-CB 3.29Å; D146-S150 PolarHBondContact O-N 3.11Å
147L90.9Very high90.1Very high79 Ų7986.9 Ų86.941%0.41444%0.438SS..Hα-helixtrans-64.4-45.1175.9-177.563.9000111.8V120 R143 L144 E145 E149 S150 I151V120-L147 HydrophobicContact CG1-CB 4.29Å; R143-L147 VanDerWaalsContact O-CB 3.29Å; R143-L147 WeakPolarHBondContact O-CB 3.25Å; R143-L147 PolarHBondContact O-N 2.96Å; L144-L147 PolarHBondContact O-N 2.9Å; E145-L147 VanDerWaalsContact C-N 3.29Å; E145-L147 PolarHBondContact O-N 2.84Å; L147-E149 VanDerWaalsContact C-N 3.34Å; L147-S150 PolarHBondContact O-N 3.2Å; L147-I151 HydrophobicContact CD1-CD1 4.24Å; L147-I151 HydrophobicContact CG-CD1 4Å; L147-I151 VanDerWaalsContact O-CG1 3.29Å; L147-I151 WeakPolarHBondContact O-CG1 3.33Å; L147-I151 PolarHBondContact O-N 2.76Å
148S94.3Very high90.2Very high69 Ų6987.3 Ų87.348%0.48344%0.438SS..Hα-helixtrans-63.5-41.7178.5-174.20000111.4L144 E145 I151 V152L144-S148 VanDerWaalsContact O-CB 3.31Å; L144-S148 WeakPolarHBondContact O-CB 3.43Å; L144-S148 PolarHBondContact O-N 2.79Å; E145-S148 PolarHBondContact O-N 2.63Å; E145-S148 VanDerWaalsContact O-N 3.13Å; S148-I151 PolarHBondContact O-N 3.36Å; S148-V152 VanDerWaalsContact O-CG2 3.3Å; S148-V152 WeakPolarHBondContact O-CG2 3.43Å; S148-V152 PolarHBondContact O-N 3.01Å
149E91.5Very high90.5Very high108 Ų10889.6 Ų89.651%0.50545%0.447SS..Hα-helixtrans-63.8-45177.5-174.4174.6-172.400111.3E145 L147 I151 V152 N153E145-E149 PolarHBondContact O-N 2.83Å; L147-E149 VanDerWaalsContact C-N 3.34Å; E149-I151 VanDerWaalsContact C-N 3.34Å; E149-I151 PolarHBondContact O-N 3.2Å; E149-V152 PolarHBondContact O-N 2.7Å; E149-N153 PolarHBondContact O-N 2.93Å; E149-N153 PolarHBondContact O-ND2 3.35Å
150S87.8Confident90.7Very high40 Ų4094.4 Ų94.428%0.2847%0.466SS..Hα-helixtrans-55.8-48.3174.2-168.40000111.5D146 L147 V152 N153 D154D146-S150 WeakPolarHBondContact O-CB 3.29Å; D146-S150 PolarHBondContact O-N 3.11Å; L147-S150 PolarHBondContact O-N 3.2Å; S150-V152 PolarHBondContact O-N 2.96Å; S150-N153 PolarHBondContact O-N 3.36Å; S150-D154 VanDerWaalsContact O-CG 3.26Å; S150-D154 PolarHBondContact O-N 3.23Å
151I91.5Very high90.9Very high74 Ų7495.9 Ų95.938%0.37947%0.466SS..Hα-helixtrans-62.4-43.6-179.8-70.7167.6000111.4L147 S148 E149 N153 D154 F155L147-I151 HydrophobicContact CD1-CD1 4.24Å; L147-I151 HydrophobicContact CG-CD1 4Å; L147-I151 VanDerWaalsContact O-CG1 3.29Å; L147-I151 WeakPolarHBondContact O-CG1 3.33Å; L147-I151 PolarHBondContact O-N 2.76Å; S148-I151 PolarHBondContact O-N 3.36Å; E149-I151 VanDerWaalsContact C-N 3.34Å; E149-I151 PolarHBondContact O-N 3.2Å; I151-N153 VanDerWaalsContact C-N 3.32Å; I151-N153 PolarHBondContact O-N 2.95Å; I151-D154 PolarHBondContact O-N 3.43Å; I151-F155 HydrophobicContact CG2-CD2 3.5Å; I151-F155 VanDerWaalsContact CG2-CD2 3.5Å; I151-F155 HydrophobicContact CG2-CE2 3.46Å; I151-F155 VanDerWaalsContact CG2-CE2 3.46Å; I151-F155 VanDerWaalsContact O-CD2 3.23Å; I151-F155 WeakPolarHBondContact O-CD2 3.38Å; I151-F155 PolarHBondContact O-N 3.07Å
152V94.1Very high91Very high87 Ų8797 Ų9753%0.52747%0.468SS..Hα-helixtrans-62.6-41.4179169.50000111S148 E149 S150 F155 A156S148-V152 VanDerWaalsContact O-CG2 3.3Å; S148-V152 WeakPolarHBondContact O-CG2 3.43Å; S148-V152 PolarHBondContact O-N 3.01Å; E149-V152 PolarHBondContact O-N 2.7Å; S150-V152 PolarHBondContact O-N 2.96Å; V152-F155 PolarHBondContact O-N 3.06Å; V152-A156 WeakPolarHBondContact O-CB 3.17Å; V152-A156 PolarHBondContact O-N 3.27Å
153N88.9Confident91.4Very high92 Ų9296.8 Ų96.849%0.49247%0.472SS..Hα-helixtrans-64.2-44.1176.4-71.6-25.2000111.5E149 S150 I151 F155 A156 Y157E149-N153 PolarHBondContact O-N 2.93Å; E149-N153 PolarHBondContact O-ND2 3.35Å; S150-N153 PolarHBondContact O-N 3.36Å; I151-N153 VanDerWaalsContact C-N 3.32Å; I151-N153 PolarHBondContact O-N 2.95Å; N153-F155 PolarHBondContact O-N 3.47Å; N153-A156 PolarHBondContact O-N 3.48Å; N153-Y157 PolarHBondContact O-N 2.77Å
154D86.4Confident91.6Very high67 Ų6795.1 Ų95.136%0.35847%0.47SS..Hα-helixtrans-62.1-43.7176.6-67.8-19.1000111.5S150 I151 A156 Y157 M158S150-D154 VanDerWaalsContact O-CG 3.26Å; S150-D154 PolarHBondContact O-N 3.23Å; I151-D154 PolarHBondContact O-N 3.43Å; D154-A156 PolarHBondContact O-N 2.92Å; D154-Y157 WeakPolarHBondContact O-CB 3.43Å; D154-Y157 PolarHBondContact O-N 3.24Å; D154-M158 WeakPolarHBondContact O-CG 3.43Å; D154-M158 PolarHBondContact O-N 3.38Å
155F92.6Very high91.8Very high143 Ų14396.4 Ų96.463%0.62748%0.475SS*.Hα-helixtrans-61.8-42.2175-89.6-67.4000112.4I151 V152 N153 Y157 M158 K159I151-F155 HydrophobicContact CG2-CD2 3.5Å; I151-F155 VanDerWaalsContact CG2-CD2 3.5Å; I151-F155 HydrophobicContact CG2-CE2 3.46Å; I151-F155 VanDerWaalsContact CG2-CE2 3.46Å; I151-F155 VanDerWaalsContact O-CD2 3.23Å; I151-F155 WeakPolarHBondContact O-CD2 3.38Å; I151-F155 PolarHBondContact O-N 3.07Å; V152-F155 PolarHBondContact O-N 3.06Å; N153-F155 PolarHBondContact O-N 3.47Å; F155-Y157 VanDerWaalsContact C-N 3.31Å; F155-Y157 PolarHBondContact O-N 3.21Å; F155-M158 PolarHBondContact O-N 3.49Å; F155-K159 WeakPolarHBondContact O-CB 3.35Å; F155-K159 PolarHBondContact O-N 2.86Å
156A91.8Very high92Very high59 Ų5998.8 Ų98.849%0.48848%0.479SS..Hα-helixtrans-62.1-41.4177.100000111.3V152 N153 D154 K160V152-A156 WeakPolarHBondContact O-CB 3.17Å; V152-A156 PolarHBondContact O-N 3.27Å; N153-A156 PolarHBondContact O-N 3.48Å; D154-A156 PolarHBondContact O-N 2.92Å; A156-K160 PolarHBondContact O-N 3.38Å
157Y87.1Confident92.3Very high91 Ų91103.3 Ų103.336%0.35750%0.504SS..Hα-helixtrans-63-49.5174.3173.7-107.4000112.2H40 Y89 N153 D154 F155 K159 K160 R161H40-Y157 AromaticContact NE2-CD1 3.69Å; H40-Y157 AromaticContact NE2-CG 3.88Å; Y89-Y157 WeakPolarHBondContact OH-CE2 3.45Å; Y89-Y157 VanDerWaalsContact OH-CZ 3.24Å; N153-Y157 PolarHBondContact O-N 2.77Å; D154-Y157 WeakPolarHBondContact O-CB 3.43Å; D154-Y157 PolarHBondContact O-N 3.24Å; F155-Y157 VanDerWaalsContact C-N 3.31Å; F155-Y157 PolarHBondContact O-N 3.21Å; Y157-K159 VanDerWaalsContact C-N 3.3Å; Y157-K159 PolarHBondContact O-N 3.28Å; Y157-K160 PolarHBondContact O-N 3.25Å; Y157-R161 PolarHBondContact O-N 3.4Å
158M89.8Confident92.4Very high128 Ų128103.4 Ų103.463%0.63151%0.508SS*.Hα-helixtrans-58.8-42.6178.6-72.1-172.876.700111.9D154 F155 R161 E162D154-M158 WeakPolarHBondContact O-CG 3.43Å; D154-M158 PolarHBondContact O-N 3.38Å; F155-M158 PolarHBondContact O-N 3.49Å; M158-R161 PolarHBondContact O-N 3.42Å; M158-E162 PolarHBondContact O-N 2.97Å
159K95.3Very high92.5Very high122 Ų122105.5 Ų105.553%0.5351%0.513SS..Hα-helixtrans-62.3-44.8177-177.6179176.1-177.60111.9F155 Y157 R161 E162 E163F155-K159 WeakPolarHBondContact O-CB 3.35Å; F155-K159 PolarHBondContact O-N 2.86Å; Y157-K159 VanDerWaalsContact C-N 3.3Å; Y157-K159 PolarHBondContact O-N 3.28Å; K159-R161 VanDerWaalsContact C-N 3.31Å; K159-R161 PolarHBondContact O-N 3.29Å; K159-E162 WeakPolarHBondContact O-CB 3.46Å; K159-E162 PolarHBondContact O-N 2.78Å; K159-E163 WeakPolarHBondContact CE-OE1 3.32Å; K159-E163 WeakPolarHBondContact O-CG 3.31Å; K159-E163 PolarHBondContact O-N 3.47Å
160K92.7Very high92.7Very high125 Ų125105.5 Ų105.554%0.54351%0.513SS..Hα-helixtrans-59.8-44.2177.5-175.9178.6178-176.50111.4A156 Y157 E162 E163 E164A156-K160 PolarHBondContact O-N 3.38Å; Y157-K160 PolarHBondContact O-N 3.25Å; K160-E162 VanDerWaalsContact C-N 3.34Å; K160-E162 PolarHBondContact O-N 3.07Å; K160-E163 PolarHBondContact O-N 3.04Å; K160-E164 WeakPolarHBondContact CE-OE1 3.29Å; K160-E164 WeakPolarHBondContact O-CG 3.42Å; K160-E164 PolarHBondContact O-N 2.73Å
161R91.6Very high93Very high160 Ų160105.6 Ų105.660%0.60451%0.514SS*.Hα-helixtrans-64.5-38.5177.3-170.4-175.3178173.34.2112.3Y157 M158 K159 E164 M165Y157-R161 PolarHBondContact O-N 3.4Å; M158-R161 PolarHBondContact O-N 3.42Å; K159-R161 VanDerWaalsContact C-N 3.31Å; K159-R161 PolarHBondContact O-N 3.29Å; R161-E164 PolarHBondContact O-N 3.03Å; R161-M165 VanDerWaalsContact O-CB 3.32Å; R161-M165 WeakPolarHBondContact O-CB 3.47Å; R161-M165 PolarHBondContact O-N 2.93Å
162E94.7Very high93.2Very high127 Ų127105.7 Ų105.759%0.59352%0.519SS*.Hα-helixtrans-61.5-45.5173.8-174-164.5163.900111.1M158 K159 K160 E164 M165 R166M158-E162 PolarHBondContact O-N 2.97Å; K159-E162 WeakPolarHBondContact O-CB 3.46Å; K159-E162 PolarHBondContact O-N 2.78Å; K160-E162 VanDerWaalsContact C-N 3.34Å; K160-E162 PolarHBondContact O-N 3.07Å; E162-E164 PolarHBondContact O-N 2.93Å; E162-M165 PolarHBondContact O-N 3.39Å; E162-R166 VanDerWaalsContact O-CB 3.29Å; E162-R166 WeakPolarHBondContact O-CB 3.27Å; E162-R166 PolarHBondContact O-N 2.92Å
163E95.8Very high93.2Very high95 Ų95106.4 Ų106.444%0.44452%0.519SS..Hα-helixtrans-59.5-45.9178.2-73.2175-176.900111.5K159 K160 R166 D167K159-E163 WeakPolarHBondContact CE-OE1 3.32Å; K159-E163 WeakPolarHBondContact O-CG 3.31Å; K159-E163 PolarHBondContact O-N 3.47Å; K160-E163 PolarHBondContact O-N 3.04Å; E163-R166 PolarHBondContact O-N 2.97Å; E163-D167 PolarHBondContact O-N 2.96Å
164E94.4Very high93.5Very high109 Ų109105 Ų10551%0.50951%0.514SS..Hα-helixtrans-63.7-41.9175.6-69.3173.8-173.100112.1K160 R161 E162 R166 D167 T168K160-E164 WeakPolarHBondContact CE-OE1 3.29Å; K160-E164 WeakPolarHBondContact O-CG 3.42Å; K160-E164 PolarHBondContact O-N 2.73Å; R161-E164 PolarHBondContact O-N 3.03Å; E162-E164 PolarHBondContact O-N 2.93Å; E164-R166 VanDerWaalsContact C-N 3.31Å; E164-R166 PolarHBondContact O-N 3.04Å; E164-D167 PolarHBondContact O-N 3.38Å; E164-T168 WeakPolarHBondContact O-CG2 3.41Å; E164-T168 PolarHBondContact O-N 2.88Å; E164-T168 PolarHBondContact O-OG1 2.98Å
165M94.6Very high94Very high137 Ų137109.7 Ų109.768%0.67553%0.527SS*.Hα-helixtrans-66.5-35.2176.7-170.1172.4-18000111.8R161 E162 T168 N169R161-M165 VanDerWaalsContact O-CB 3.32Å; R161-M165 WeakPolarHBondContact O-CB 3.47Å; R161-M165 PolarHBondContact O-N 2.93Å; E162-M165 PolarHBondContact O-N 3.39Å; M165-T168 WeakPolarHBondContact CA-OG1 3.37Å; M165-T168 PolarHBondContact O-OG1 3.11Å; M165-N169 VanDerWaalsContact O-CB 3.27Å; M165-N169 WeakPolarHBondContact O-CB 3.38Å; M165-N169 PolarHBondContact O-N 3.49Å
166R96.3Very high94.2Very high150 Ų150106.6 Ų106.657%0.56652%0.52SS*.Hα-helixtrans-68.5-43.6176.4-170.6172.668.689.60.9111.2E162 E163 E164 N169 E170E162-R166 VanDerWaalsContact O-CB 3.29Å; E162-R166 WeakPolarHBondContact O-CB 3.27Å; E162-R166 PolarHBondContact O-N 2.92Å; E163-R166 PolarHBondContact O-N 2.97Å; E164-R166 VanDerWaalsContact C-N 3.31Å; E164-R166 PolarHBondContact O-N 3.04Å; R166-N169 PolarHBondContact O-N 3.48Å; R166-E170 WeakPolarHBondContact O-CB 3.38Å; R166-E170 PolarHBondContact O-N 2.88Å
167D95.7Very high94.5Very high108 Ų108108.3 Ų108.358%0.57852%0.52SS*.Hα-helixtrans-66.7-40.8179.9-162.946.3000112.1E163 E164 N169 E170 S171E163-D167 PolarHBondContact O-N 2.96Å; E164-D167 PolarHBondContact O-N 3.38Å; D167-N169 PolarHBondContact O-N 3.13Å; D167-E170 PolarHBondContact O-N 3.4Å; D167-S171 WeakPolarHBondContact O-CB 3.3Å; D167-S171 PolarHBondContact O-N 3.47Å; D167-S171 PolarHBondContact O-OG 2.88Å
168T94.5Very high94.9Very high81 Ų81111.6 Ų111.650%0.49753%0.533SS..Hα-helixtrans-64.5-39172.951.50000112.2E164 M165 S171 T172E164-T168 WeakPolarHBondContact O-CG2 3.41Å; E164-T168 PolarHBondContact O-N 2.88Å; E164-T168 PolarHBondContact O-OG1 2.98Å; M165-T168 WeakPolarHBondContact CA-OG1 3.37Å; M165-T168 PolarHBondContact O-OG1 3.11Å; T168-S171 PolarHBondContact O-OG 3.23Å; T168-S171 VanDerWaalsContact O-OG 3.07Å; T168-T172 VanDerWaalsContact O-CB 3.27Å; T168-T172 WeakPolarHBondContact O-CB 3.27Å; T168-T172 PolarHBondContact O-N 3.39Å; T168-T172 PolarHBondContact O-OG1 3.21Å
169N95.7Very high95.3Very high112 Ų112112.7 Ų112.760%0.59953%0.534SS*.Hα-helixtrans-66.6-44.2175.1-171.334.2000111.9M165 R166 D167 T172 N173M165-N169 VanDerWaalsContact O-CB 3.27Å; M165-N169 WeakPolarHBondContact O-CB 3.38Å; M165-N169 PolarHBondContact O-N 3.49Å; R166-N169 PolarHBondContact O-N 3.48Å; D167-N169 PolarHBondContact O-N 3.13Å; N169-T172 PolarHBondContact O-N 3.41Å; N169-N173 VanDerWaalsContact O-CB 3.3Å; N169-N173 WeakPolarHBondContact O-CB 3.26Å; N169-N173 PolarHBondContact O-N 3.38Å
170E95.3Very high95.3Very high108 Ų108110.2 Ų110.251%0.50553%0.532SS..Hα-helixtrans-64.3-45.9179.4-175.9170.1175.100112.1R166 D167 T172 N173 T174R166-E170 WeakPolarHBondContact O-CB 3.38Å; R166-E170 PolarHBondContact O-N 2.88Å; D167-E170 PolarHBondContact O-N 3.4Å; E170-T172 VanDerWaalsContact C-N 3.35Å; E170-T172 PolarHBondContact O-N 3.45Å; E170-N173 PolarHBondContact O-N 3.34Å; E170-T174 WeakPolarHBondContact O-CB 3.39Å; E170-T174 PolarHBondContact O-N 3.45Å; E170-T174 PolarHBondContact O-OG1 3.08Å
171S93.9Very high95.6Very high42 Ų42108 Ų10829%0.29453%0.529SS..Hα-helixtrans-64.9-37.7176.761.10000112.4D167 T168 R175D167-S171 WeakPolarHBondContact O-CB 3.3Å; D167-S171 PolarHBondContact O-N 3.47Å; D167-S171 PolarHBondContact O-OG 2.88Å; T168-S171 PolarHBondContact O-OG 3.23Å; T168-S171 VanDerWaalsContact O-OG 3.07Å; S171-R175 VanDerWaalsContact O-CG 3.26Å; S171-R175 WeakPolarHBondContact O-CG 3.35Å; S171-R175 PolarHBondContact O-N 3.33Å; S171-R175 VanDerWaalsContact O-N 3.13Å
172T95.5Very high95.8Very high77 Ų77107 Ų10747%0.47253%0.529SS..Hα-helixtrans-66.3-47.8175-600000111.3T168 N169 E170 T174 R175 V176T168-T172 VanDerWaalsContact O-CB 3.27Å; T168-T172 WeakPolarHBondContact O-CB 3.27Å; T168-T172 PolarHBondContact O-N 3.39Å; T168-T172 PolarHBondContact O-OG1 3.21Å; N169-T172 PolarHBondContact O-N 3.41Å; E170-T172 VanDerWaalsContact C-N 3.35Å; E170-T172 PolarHBondContact O-N 3.45Å; T172-T174 VanDerWaalsContact C-N 3.3Å; T172-T174 PolarHBondContact O-N 3.31Å; T172-R175 PolarHBondContact O-N 3.48Å; T172-V176 HydrophobicContact CG2-CG2 4.44Å; T172-V176 WeakPolarHBondContact O-CG2 3.47Å; T172-V176 PolarHBondContact O-N 3.44Å
173N95.7Very high96Very high101 Ų101104 Ų10454%0.5452%0.522SS..Hα-helixtrans-57.1-45.8177.6-174.64000111.1N169 E170 R175 V176 L177N169-N173 VanDerWaalsContact O-CB 3.3Å; N169-N173 WeakPolarHBondContact O-CB 3.26Å; N169-N173 PolarHBondContact O-N 3.38Å; E170-N173 PolarHBondContact O-N 3.34Å; N173-R175 PolarHBondContact O-N 3.03Å; N173-V176 PolarHBondContact O-N 3.41Å; N173-L177 WeakPolarHBondContact O-CB 3.4Å; N173-L177 PolarHBondContact O-N 2.94Å
174T95.1Very high96.1Very high62 Ų62104.9 Ų104.938%0.3853%0.528SS..Hα-helixtrans-59.6-44.9177.9-61.20000112.1E170 T172 L177 Y178E170-T174 WeakPolarHBondContact O-CB 3.39Å; E170-T174 PolarHBondContact O-N 3.45Å; E170-T174 PolarHBondContact O-OG1 3.08Å; T172-T174 VanDerWaalsContact C-N 3.3Å; T172-T174 PolarHBondContact O-N 3.31Å; T174-L177 PolarHBondContact O-N 2.9Å; T174-Y178 HydrophobicContact CG2-CD2 3.85Å; T174-Y178 HydrophobicContact CG2-CE2 3.41Å; T174-Y178 VanDerWaalsContact CG2-CE2 3.41Å; T174-Y178 WeakPolarHBondContact O-CD2 3.39Å; T174-Y178 PolarHBondContact O-N 3.47Å; T174-Y178 VanDerWaalsContact O-N 3.08Å
175R96.4Very high96.2Very high166 Ų166103.4 Ų103.463%0.62653%0.529SS*.Hα-helixtrans-62.9-43.5176.7-68.9169.2-169.7-167.25.2112S171 T172 N173 L177 Y178 F179S171-R175 VanDerWaalsContact O-CG 3.26Å; S171-R175 WeakPolarHBondContact O-CG 3.35Å; S171-R175 PolarHBondContact O-N 3.33Å; S171-R175 VanDerWaalsContact O-N 3.13Å; T172-R175 PolarHBondContact O-N 3.48Å; N173-R175 PolarHBondContact O-N 3.03Å; R175-L177 VanDerWaalsContact C-N 3.32Å; R175-L177 PolarHBondContact O-N 3.04Å; R175-Y178 PolarHBondContact O-N 3.35Å; R175-F179 WeakPolarHBondContact O-CD2 3.45Å; R175-F179 PolarHBondContact O-N 3.48Å
176V97.3Very high96.4Very high79 Ų7999.4 Ų99.448%0.47951%0.514SS..Hα-helixtrans-63.3-40.1178171.50000111.1T172 N173 F179 S180T172-V176 HydrophobicContact CG2-CG2 4.44Å; T172-V176 WeakPolarHBondContact O-CG2 3.47Å; T172-V176 PolarHBondContact O-N 3.44Å; N173-V176 PolarHBondContact O-N 3.41Å; V176-F179 PolarHBondContact O-N 2.97Å; V176-S180 WeakPolarHBondContact O-CB 3.08Å; V176-S180 PolarHBondContact O-N 3.35Å; V176-S180 PolarHBondContact O-OG 2.77Å
177L96.6Very high96.4Very high95 Ų9597.3 Ų97.350%0.49751%0.513SS..Hα-helixtrans-60.3-48.7175.3-171.2157.6000110.8N173 T174 R175 F179 S180 V181N173-L177 WeakPolarHBondContact O-CB 3.4Å; N173-L177 PolarHBondContact O-N 2.94Å; T174-L177 PolarHBondContact O-N 2.9Å; R175-L177 VanDerWaalsContact C-N 3.32Å; R175-L177 PolarHBondContact O-N 3.04Å; L177-F179 PolarHBondContact O-N 3.25Å; L177-S180 WeakPolarHBondContact O-CB 3.37Å; L177-S180 PolarHBondContact O-N 3.4Å; L177-S180 VanDerWaalsContact O-N 3.14Å; L177-V181 HydrophobicContact CD2-CG2 3.91Å; L177-V181 WeakPolarHBondContact O-CG2 3.45Å; L177-V181 PolarHBondContact O-N 2.9Å
178Y96.1Very high96.5Very high159 Ų15996.7 Ų96.762%0.62451%0.509SS*.Hα-helixtrans-60.2-43.5177.5-75.7-61.6000112.7T174 R175 S180 V181 F182T174-Y178 HydrophobicContact CG2-CD2 3.85Å; T174-Y178 HydrophobicContact CG2-CE2 3.41Å; T174-Y178 VanDerWaalsContact CG2-CE2 3.41Å; T174-Y178 WeakPolarHBondContact O-CD2 3.39Å; T174-Y178 PolarHBondContact O-N 3.47Å; T174-Y178 VanDerWaalsContact O-N 3.08Å; R175-Y178 PolarHBondContact O-N 3.35Å; Y178-S180 VanDerWaalsContact C-N 3.31Å; Y178-S180 PolarHBondContact O-N 3.3Å; Y178-V181 PolarHBondContact O-N 3.38Å; Y178-F182 WeakPolarHBondContact O-CB 3.37Å; Y178-F182 PolarHBondContact O-N 3.3Å
179F97.4Very high96.7Very high151 Ų15194.6 Ų94.666%0.66250%0.503SS*.Hα-helixtrans-63.1-37.6174.6-71.5-42.2000112.7R175 V176 L177 F182 S183R175-F179 WeakPolarHBondContact O-CD2 3.45Å; R175-F179 PolarHBondContact O-N 3.48Å; V176-F179 PolarHBondContact O-N 2.97Å; L177-F179 PolarHBondContact O-N 3.25Å; F179-F182 PolarHBondContact O-N 3.33Å; F179-S183 WeakPolarHBondContact O-CB 3.34Å; F179-S183 PolarHBondContact O-N 3.43Å
180S96.8Very high96.8Very high70 Ų7094.3 Ų94.349%0.4950%0.501SS..Hα-helixtrans-66.2-43.8177.6-58.80000111.8V176 L177 Y178 S183 M184V176-S180 WeakPolarHBondContact O-CB 3.08Å; V176-S180 PolarHBondContact O-N 3.35Å; V176-S180 PolarHBondContact O-OG 2.77Å; L177-S180 WeakPolarHBondContact O-CB 3.37Å; L177-S180 PolarHBondContact O-N 3.4Å; L177-S180 VanDerWaalsContact O-N 3.14Å; Y178-S180 VanDerWaalsContact C-N 3.31Å; Y178-S180 PolarHBondContact O-N 3.3Å; S180-S183 PolarHBondContact O-N 3.41Å; S180-M184 WeakPolarHBondContact O-CB 3.49Å; S180-M184 PolarHBondContact O-N 3.37Å
181V97.6Very high96.8Very high78 Ų7891.4 Ų91.447%0.47350%0.495SS..Hα-helixtrans-62.8-47175.21720000110.7L177 Y178 S183 M184 C185L177-V181 HydrophobicContact CD2-CG2 3.91Å; L177-V181 WeakPolarHBondContact O-CG2 3.45Å; L177-V181 PolarHBondContact O-N 2.9Å; Y178-V181 PolarHBondContact O-N 3.38Å; V181-S183 VanDerWaalsContact C-N 3.34Å; V181-S183 PolarHBondContact O-N 2.98Å; V181-M184 PolarHBondContact O-N 3.41Å; V181-C185 PolarHBondContact O-N 3.14Å; V181-C185 PolarHBondContact O-SG 2.93Å; V181-C185 VanDerWaalsContact O-SG 3.37Å
182F97.5Very high97Very high140 Ų14093.7 Ų93.761%0.61451%0.508SS*.Hα-helixtrans-58.7-44.7177.3176.2-102000112.1Y178 F179 C185 C186Y178-F182 WeakPolarHBondContact O-CB 3.37Å; Y178-F182 PolarHBondContact O-N 3.3Å; F179-F182 PolarHBondContact O-N 3.33Å; F182-C185 PolarHBondContact O-N 2.98Å; F182-C186 VanDerWaalsContact CZ-SG 3.57Å; F182-C186 PolarHBondContact O-N 3.21Å; F182-C186 PolarHBondContact O-SG 3.47Å
183S97.4Very high97.1Very high63 Ų6398.4 Ų98.444%0.44152%0.517SS..Hα-helixtrans-60.1-46.6176.1-1760000111.9F179 S180 V181 C185 C186 L187F179-S183 WeakPolarHBondContact O-CB 3.34Å; F179-S183 PolarHBondContact O-N 3.43Å; S180-S183 PolarHBondContact O-N 3.41Å; V181-S183 VanDerWaalsContact C-N 3.34Å; V181-S183 PolarHBondContact O-N 2.98Å; S183-C185 VanDerWaalsContact C-N 3.34Å; S183-C185 PolarHBondContact O-N 3.4Å; S183-C186 WeakPolarHBondContact O-CB 3.37Å; S183-C186 PolarHBondContact O-N 3.08Å; S183-C186 VanDerWaalsContact O-N 3.15Å; S183-L187 WeakPolarHBondContact O-CG 3.43Å; S183-L187 PolarHBondContact O-N 3.49Å
184M97.6Very high97.1Very high115 Ų11599.6 Ų99.657%0.56752%0.519SS*.Hα-helixtrans-59.7-43.5177.2-17162.4166.100112S180 V181 C186 L187 I188S180-M184 WeakPolarHBondContact O-CB 3.49Å; S180-M184 PolarHBondContact O-N 3.37Å; V181-M184 PolarHBondContact O-N 3.41Å; M184-C186 PolarHBondContact O-N 2.95Å; M184-L187 PolarHBondContact O-N 3.15Å; M184-I188 HydrophobicContact CG-CD1 4.28Å; M184-I188 WeakPolarHBondContact O-CG1 3.43Å; M184-I188 PolarHBondContact O-N 2.94Å; M184-I188 VanDerWaalsContact O-N 3.08Å
185C97.8Very high97Very high78 Ų78100.7 Ų100.753%0.52753%0.525SS..Hα-helixtrans-61.2-42.9174.6-69.20000112.2V181 F182 S183 I188 G189V181-C185 PolarHBondContact O-N 3.14Å; V181-C185 PolarHBondContact O-SG 2.93Å; V181-C185 VanDerWaalsContact O-SG 3.37Å; F182-C185 PolarHBondContact O-N 2.98Å; S183-C185 VanDerWaalsContact C-N 3.34Å; S183-C185 PolarHBondContact O-N 3.4Å; C185-I188 PolarHBondContact O-N 3.41Å; C185-G189 PolarHBondContact O-N 3.33Å
186C97.8Very high96.9Very high53 Ų5398.7 Ų98.736%0.35852%0.522SS..Hα-helixtrans-60.8-44.1176.2-68.40000111.9F182 S183 M184 G189 L190F182-C186 VanDerWaalsContact CZ-SG 3.57Å; F182-C186 PolarHBondContact O-N 3.21Å; F182-C186 PolarHBondContact O-SG 3.47Å; S183-C186 WeakPolarHBondContact O-CB 3.37Å; S183-C186 PolarHBondContact O-N 3.08Å; S183-C186 VanDerWaalsContact O-N 3.15Å; M184-C186 PolarHBondContact O-N 2.95Å; C186-G189 PolarHBondContact O-N 3.02Å; C186-L190 WeakPolarHBondContact O-CG 3.25Å; C186-L190 PolarHBondContact O-N 2.87Å
187L97.6Very high96.8Very high106 Ų106101.4 Ų101.456%0.55552%0.524SS*.Hα-helixtrans-62.8-42.9178.5-70.1176000112.2S183 M184 G189 L190 A191S183-L187 WeakPolarHBondContact O-CG 3.43Å; S183-L187 PolarHBondContact O-N 3.49Å; M184-L187 PolarHBondContact O-N 3.15Å; L187-G189 VanDerWaalsContact C-N 3.35Å; L187-L190 PolarHBondContact O-N 3.38Å; L187-A191 WeakPolarHBondContact O-CB 3.41Å; L187-A191 PolarHBondContact O-N 2.93Å
188I97.6Very high96.5Very high95 Ų95101.2 Ų101.249%0.48752%0.523SS..Hα-helixtrans-64-42.1175.2-65.3167.3000110.6M184 C185 A191 T192M184-I188 HydrophobicContact CG-CD1 4.28Å; M184-I188 WeakPolarHBondContact O-CG1 3.43Å; M184-I188 PolarHBondContact O-N 2.94Å; M184-I188 VanDerWaalsContact O-N 3.08Å; C185-I188 PolarHBondContact O-N 3.41Å; I188-A191 PolarHBondContact O-N 3.25Å; I188-T192 HydrophobicContact CG2-CG2 4.49Å; I188-T192 WeakPolarHBondContact O-CG2 3.32Å; I188-T192 PolarHBondContact O-N 2.97Å; I188-T192 PolarHBondContact O-OG1 3.36Å
189G97.7Very high96Very high36 Ų36102.2 Ų102.237%0.37153%0.526SS..Hα-helixtrans-59.8-45.5175.400000112.6C185 C186 L187 T192 W193C185-G189 PolarHBondContact O-N 3.33Å; C186-G189 PolarHBondContact O-N 3.02Å; L187-G189 VanDerWaalsContact C-N 3.35Å; G189-T192 PolarHBondContact O-OG1 2.85Å; G189-W193 WeakPolarHBondContact O-CB 3.37Å; G189-W193 PolarHBondContact O-N 3.39Å
190L97.4Very high95.6Very high106 Ų106103.4 Ų103.456%0.55553%0.526SS*.Hα-helixtrans-66.2-41.6176.3-69.7176.2000112.2C186 L187 W193 Q194C186-L190 WeakPolarHBondContact O-CG 3.25Å; C186-L190 PolarHBondContact O-N 2.87Å; L187-L190 PolarHBondContact O-N 3.38Å; L190-W193 PolarHBondContact O-N 3.01Å; L190-Q194 WeakPolarHBondContact O-CB 3.39Å; L190-Q194 VanDerWaalsContact O-CG 3.25Å; L190-Q194 WeakPolarHBondContact O-CG 3.37Å; L190-Q194 PolarHBondContact O-N 3.02Å
191A96.9Very high95.2Very high47 Ų47104.5 Ų104.539%0.38852%0.522SS..Hα-helixtrans-63.3-44.9178.500000112.1L187 I188 Q194 V195L187-A191 WeakPolarHBondContact O-CB 3.41Å; L187-A191 PolarHBondContact O-N 2.93Å; I188-A191 PolarHBondContact O-N 3.25Å; A191-Q194 PolarHBondContact O-N 2.91Å; A191-V195 WeakPolarHBondContact O-CG2 3.41Å; A191-V195 PolarHBondContact O-N 3.25Å; A191-V195 VanDerWaalsContact O-N 3.1Å
192T96.7Very high94.6Very high90 Ų90105 Ų10555%0.55252%0.518SS*.Hα-helixtrans-65-41.7176.453.10000111.8I188 G189 V195 F196I188-T192 HydrophobicContact CG2-CG2 4.49Å; I188-T192 WeakPolarHBondContact O-CG2 3.32Å; I188-T192 PolarHBondContact O-N 2.97Å; I188-T192 PolarHBondContact O-OG1 3.36Å; G189-T192 PolarHBondContact O-OG1 2.85Å; T192-V195 PolarHBondContact O-N 3.35Å; T192-F196 PolarHBondContact O-N 3.1Å
193W97.4Very high93.8Very high177 Ų177106.1 Ų106.167%0.6752%0.523SS*.Hα-helixtrans-59.5-45.9173.5-177.9-89.9000112.1G189 L190 V195 F196 Y197G189-W193 WeakPolarHBondContact O-CB 3.37Å; G189-W193 PolarHBondContact O-N 3.39Å; L190-W193 PolarHBondContact O-N 3.01Å; W193-V195 PolarHBondContact O-N 3.43Å; W193-F196 PolarHBondContact O-N 3.35Å; W193-Y197 WeakPolarHBondContact O-CB 3.41Å; W193-Y197 PolarHBondContact O-N 2.98Å
194Q95.8Very high93Very high125 Ų125107 Ų10758%0.58453%0.534SS*.Hα-helixtrans-57.2-46.4177-79174.6-13.900111.8L190 A191 Y197 L198L190-Q194 WeakPolarHBondContact O-CB 3.39Å; L190-Q194 VanDerWaalsContact O-CG 3.25Å; L190-Q194 WeakPolarHBondContact O-CG 3.37Å; L190-Q194 PolarHBondContact O-N 3.02Å; A191-Q194 PolarHBondContact O-N 2.91Å; Q194-Y197 PolarHBondContact O-N 3.47Å; Q194-L198 WeakPolarHBondContact O-CG 3.44Å; Q194-L198 PolarHBondContact O-N 2.84Å
195V94.9Very high92.1Very high85 Ų85108 Ų10852%0.51554%0.535SS..Hα-helixtrans-63.9-43.2177.91740000111.5A191 T192 W193 L198 R199A191-V195 WeakPolarHBondContact O-CG2 3.41Å; A191-V195 PolarHBondContact O-N 3.25Å; A191-V195 VanDerWaalsContact O-N 3.1Å; T192-V195 PolarHBondContact O-N 3.35Å; W193-V195 PolarHBondContact O-N 3.43Å; V195-L198 PolarHBondContact O-N 2.85Å; V195-R199 WeakPolarHBondContact O-CB 3.47Å; V195-R199 WeakPolarHBondContact O-CG 3.47Å; V195-R199 PolarHBondContact O-N 3.09Å
196F94.1Very high90.5Very high124 Ų124113.6 Ų113.654%0.54455%0.55SS.*Hα-helixtrans-64.1-44.2177.8-177.8-98.3000111.9T192 W193 R199 R200T192-F196 PolarHBondContact O-N 3.1Å; W193-F196 PolarHBondContact O-N 3.35Å; F196-R199 PolarHBondContact O-N 2.89Å; F196-R200 WeakPolarHBondContact O-CB 3.36Å; F196-R200 PolarHBondContact O-N 3.33Å
197Y94Very high88.8Confident136 Ų136116.8 Ų116.853%0.53356%0.563SS.*Hα-helixtrans-58.6-49.6176.4178.4-94.6000111.3W193 Q194 R199 R200 F201W193-Y197 WeakPolarHBondContact O-CB 3.41Å; W193-Y197 PolarHBondContact O-N 2.98Å; Q194-Y197 PolarHBondContact O-N 3.47Å; Y197-R199 PolarHBondContact O-N 2.95Å; Y197-R200 PolarHBondContact O-N 2.96Å; Y197-F201 VanDerWaalsContact O-CB 3.32Å; Y197-F201 WeakPolarHBondContact O-CB 3.32Å; Y197-F201 PolarHBondContact O-N 3.42Å
198L90.3Very high86.8Confident91 Ų91117.6 Ų117.648%0.47657%0.567SS.*Hα-helixtrans-61-44.7177.3-73.4174.4000111.8Q194 V195 R200 F201 F202Q194-L198 WeakPolarHBondContact O-CG 3.44Å; Q194-L198 PolarHBondContact O-N 2.84Å; V195-L198 PolarHBondContact O-N 2.85Å; L198-R200 PolarHBondContact O-N 3.28Å; L198-F201 PolarHBondContact O-N 3.27Å; L198-F202 HydrophobicContact CB-CE2 4.49Å; L198-F202 WeakPolarHBondContact O-CD2 3.48Å; L198-F202 PolarHBondContact O-N 3.44Å
199R87Confident84.4Confident181 Ų181125.5 Ų125.568%0.68360%0.602SS**Hα-helixtrans-59.9-43.9175.7-80.3-170.2170.1-164.9-2112.4V195 F196 Y197 K203V195-R199 WeakPolarHBondContact O-CB 3.47Å; V195-R199 WeakPolarHBondContact O-CG 3.47Å; V195-R199 PolarHBondContact O-N 3.09Å; F196-R199 PolarHBondContact O-N 2.89Å; Y197-R199 PolarHBondContact O-N 2.95Å; R199-K203 WeakPolarHBondContact O-CG 3.37Å; R199-K203 PolarHBondContact O-N 3.48Å; R199-K203 VanDerWaalsContact O-N 3.09Å
200R87.3Confident83.7Confident175 Ų175130 Ų13066%0.6661%0.613SS**Hα-helixtrans-66-40177.7-177.7169.4175.2156.5-2.5111.5F196 Y197 L198 K203 A204F196-R200 WeakPolarHBondContact O-CB 3.36Å; F196-R200 PolarHBondContact O-N 3.33Å; Y197-R200 PolarHBondContact O-N 2.96Å; L198-R200 PolarHBondContact O-N 3.28Å; R200-K203 PolarHBondContact O-N 3.34Å; R200-A204 WeakPolarHBondContact O-CB 3.11Å; R200-A204 PolarHBondContact O-N 3.28Å
201F88.8Confident83Confident94 Ų94131.3 Ų131.341%0.41262%0.616SS.*Hα-helixtrans-61.4-47.3176.5-176.9-94.2000111.8Y197 L198 A204 K205Y197-F201 VanDerWaalsContact O-CB 3.32Å; Y197-F201 WeakPolarHBondContact O-CB 3.32Å; Y197-F201 PolarHBondContact O-N 3.42Å; L198-F201 PolarHBondContact O-N 3.27Å; F201-A204 PolarHBondContact O-N 3.37Å; F201-K205 HydrophobicContact CE1-CG 4.4Å; F201-K205 HydrophobicContact CZ-CG 4.34Å; F201-K205 PolarHBondContact O-N 2.98Å; F201-K205 VanDerWaalsContact O-N 3.13Å
202F85.3Confident82.2Confident88 Ų88135.9 Ų135.939%0.38663%0.629SS.*Hα-helixtrans-65.6-39.6178-74.9-59.8000113.2L198 K205 K206 L207L198-F202 HydrophobicContact CB-CE2 4.49Å; L198-F202 WeakPolarHBondContact O-CD2 3.48Å; L198-F202 PolarHBondContact O-N 3.44Å; F202-K205 PolarHBondContact O-N 3.13Å; F202-K206 PolarHBondContact O-N 3.49Å; F202-L207 HydrophobicContact CD1-CB 4.34Å; F202-L207 HydrophobicContact CD1-CD1 4.28Å; F202-L207 PolarHBondContact O-N 3.27Å
203K79.7Confident81.4Confident164 Ų164138.6 Ų138.671%0.71363%0.633SS**Hα-helixtrans-62-44.1173.3-77.1-172.4176.3-168.70112.3R199 R200 K205 K206R199-K203 WeakPolarHBondContact O-CG 3.37Å; R199-K203 PolarHBondContact O-N 3.48Å; R199-K203 VanDerWaalsContact O-N 3.09Å; R200-K203 PolarHBondContact O-N 3.34Å; K203-K205 VanDerWaalsContact C-N 3.27Å; K203-K205 PolarHBondContact O-N 3.35Å; K203-K206 PolarHBondContact O-N 3.42Å
204A80.8Confident80.4Confident81 Ų81136.3 Ų136.367%0.66963%0.631SS**Hα-helixtrans-65.6-29.5-179.900000113R200 F201R200-A204 WeakPolarHBondContact O-CB 3.11Å; R200-A204 PolarHBondContact O-N 3.28Å; F201-A204 PolarHBondContact O-N 3.37Å
205K80.3Confident79.4Confident136 Ų136137 Ų13759%0.59163%0.634SS**THydrogen-bonded Turntrans-91.23.3178.6-69.5-68.9-173.1178.90114.4F201 F202 K203 L207F201-K205 HydrophobicContact CE1-CG 4.4Å; F201-K205 HydrophobicContact CZ-CG 4.34Å; F201-K205 PolarHBondContact O-N 2.98Å; F201-K205 VanDerWaalsContact O-N 3.13Å; F202-K205 PolarHBondContact O-N 3.13Å; K203-K205 VanDerWaalsContact C-N 3.27Å; K203-K205 PolarHBondContact O-N 3.35Å; K205-L207 VanDerWaalsContact C-N 3.25Å; K205-L207 HydrophobicContact CB-CD1 3.98Å; K205-L207 HydrophobicContact CB-CG 4.41Å; K205-L207 PolarHBondContact O-N 3.27Å
206K64.3Low78.2Confident196 Ų196140.7 Ų140.785%0.85264%0.643SS**THydrogen-bonded Turntrans51.536.8-179.3-66.6-172.3175.6-173.90114.3F202 K203F202-K206 PolarHBondContact O-N 3.49Å; K203-K206 PolarHBondContact O-N 3.42Å
207L61.6Low77Confident120 Ų120142 Ų14263%0.62865%0.65SS**SBendtrans-90-14.3-179.3-80.9159.9000113.7F202 K205F202-L207 HydrophobicContact CD1-CB 4.34Å; F202-L207 HydrophobicContact CD1-CD1 4.28Å; F202-L207 PolarHBondContact O-N 3.27Å; K205-L207 VanDerWaalsContact C-N 3.25Å; K205-L207 HydrophobicContact CB-CD1 3.98Å; K205-L207 HydrophobicContact CB-CG 4.41Å; K205-L207 PolarHBondContact O-N 3.27Å
208I54.5Low75.6Confident122 Ų122142.5 Ų142.563%0.62666%0.66SS**  trans-144127175.6-54.5175.3000106.3
209E47.5Very low74.3Confident262 Ų262147.2 Ų147.2100%1.22468%0.677SS**  trans-74.70176.4-158.2164.9-160.500111.4

Retrieved 209 of 209 residues in 232.6 ms (Link to these results)