A0A096N3T7_PAPAN Loading...

Cysteine rich hydrophobic domain 2

AlphaFold DB (Q9UKJ5), UniProt , Accession A0A096N3T7, Species PAPAN (Papio anubis, Olive baboon), Gene CHIC2, Length 165 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
1M51.8Low59.9Low249 Ų249132.3 Ų132.3100%1.22766%0.661SS**  052.80-168148.9175.600108.5
2A59.6Low60.6Low90 Ų90130.9 Ų130.974%0.74465%0.651SS**  trans-153.942-164.600000111.2
3D59.8Low61.5Low130 Ų130127.8 Ų127.870%0.69564%0.638SS**SBendtrans-146.622.1-173.4-163.537.1000112.2
4F55.3Low62.3Low141 Ų141128.9 Ų128.962%0.61864%0.64SS**SBendtrans-115.8-27.4175.5-166.4-105.3000112.1Y8F4-Y8 AromaticContact CD1-CE2 3.88Å; F4-Y8 HydrophobicContact CD1-CE2 3.88Å; F4-Y8 HydrophobicContact CE1-CD2 4.47Å; F4-Y8 AromaticContact CE1-CE2 3.42Å; F4-Y8 HydrophobicContact CE1-CE2 3.42Å; F4-Y8 VanDerWaalsContact CE1-CE2 3.42Å; F4-Y8 HydrophobicContact CE2-CE2 4.29Å; F4-Y8 AromaticContact CZ-CE2 3.65Å; F4-Y8 HydrophobicContact CZ-CE2 3.65Å; F4-Y8 AromaticContact CZ-CZ 3.96Å; F4-Y8 WeakPolarHBondContact CZ-OH 3.22Å; F4-Y8 VanDerWaalsContact O-CD2 3.23Å; F4-Y8 WeakPolarHBondContact O-CD2 3.35Å
5D60.4Low63Low124 Ų124128.7 Ų128.766%0.66364%0.637SS**Hα-helixtrans-81.4-22.4-179.2-64.6-27.4000113.3
6E60.6Low63.7Low122 Ų122128.2 Ų128.257%0.5763%0.625SS**Hα-helixtrans-72.6-31-175.6-166.5161.7-171.700113.1E10E6-E10 PolarHBondContact O-N 2.95Å
7I60.5Low64.3Low96 Ų96123.5 Ų123.549%0.49261%0.612SS.*Hα-helixtrans-70.5-34.6179-60.6172.3000111.6E11I7-E11 PolarHBondContact O-N 2.68Å
8Y62.3Low64.9Low123 Ų123119.9 Ų119.948%0.48260%0.595SS.*Hα-helixtrans-72.2-37179.3-71.3-81.2000112.4F4 E12F4-Y8 AromaticContact CD1-CE2 3.88Å; F4-Y8 HydrophobicContact CD1-CE2 3.88Å; F4-Y8 HydrophobicContact CE1-CD2 4.47Å; F4-Y8 AromaticContact CE1-CE2 3.42Å; F4-Y8 HydrophobicContact CE1-CE2 3.42Å; F4-Y8 VanDerWaalsContact CE1-CE2 3.42Å; F4-Y8 HydrophobicContact CE2-CE2 4.29Å; F4-Y8 AromaticContact CZ-CE2 3.65Å; F4-Y8 HydrophobicContact CZ-CE2 3.65Å; F4-Y8 AromaticContact CZ-CZ 3.96Å; F4-Y8 WeakPolarHBondContact CZ-OH 3.22Å; F4-Y8 VanDerWaalsContact O-CD2 3.23Å; F4-Y8 WeakPolarHBondContact O-CD2 3.35Å; Y8-E12 WeakPolarHBondContact O-CG 3.18Å; Y8-E12 PolarHBondContact O-N 3.16Å; Y8-E12 VanDerWaalsContact O-N 3.12Å
9E61.7Low65.2Low137 Ų137119.5 Ų119.564%0.6459%0.592SS**Hα-helixtrans-66.8-39.4178.3-69-171.3172.100111.6D13E9-D13 PolarHBondContact O-N 3.12Å; E9-D13 VanDerWaalsContact O-N 3.14Å
10E61.9Low65.5Low124 Ų124120.2 Ų120.258%0.57959%0.593SS**Hα-helixtrans-65.9-43.6175.9-72.2-171.1157.900112.5E6 D13 E14E6-E10 PolarHBondContact O-N 2.95Å; E10-D13 PolarHBondContact O-N 2.99Å; E10-E14 WeakPolarHBondContact O-CG 3.37Å; E10-E14 PolarHBondContact O-N 3.47Å
11E65.1Low65.6Low119 Ų119120.1 Ų120.156%0.55659%0.591SS**Hα-helixtrans-62.5-42.4177.4-77.1-174.5173.700112.3I7 D13 E14 E15I7-E11 PolarHBondContact O-N 2.68Å; E11-D13 PolarHBondContact O-N 3.13Å; E11-E14 PolarHBondContact O-N 3.13Å; E11-E15 WeakPolarHBondContact O-CB 3.49Å; E11-E15 PolarHBondContact O-N 3.11Å
12E68.3Low66.4Low116 Ų116110.8 Ų110.854%0.54255%0.546SS..Hα-helixtrans-64.9-38.2177.6-75.7-173.2-177.200112.5Y8 R16Y8-E12 WeakPolarHBondContact O-CG 3.18Å; Y8-E12 PolarHBondContact O-N 3.16Å; Y8-E12 VanDerWaalsContact O-N 3.12Å; E12-R16 WeakPolarHBondContact O-CB 3.5Å; E12-R16 PolarHBondContact O-N 3.21Å
13D72.8Confident66.8Low91 Ų91111 Ų11149%0.48753%0.534SS..Hα-helixtrans-72.2-37.1177.5-81.3-16.2000112E9 E10 E11 R16 A17E9-D13 PolarHBondContact O-N 3.12Å; E9-D13 VanDerWaalsContact O-N 3.14Å; E10-D13 PolarHBondContact O-N 2.99Å; E11-D13 PolarHBondContact O-N 3.13Å; D13-R16 PolarHBondContact O-N 3.31Å; D13-R16 IonicContact OD1-CZ 3.48Å; D13-R16 IonicContact OD1-NH1 3.41Å; D13-R16 PolarHBondContact OD1-NH1 3.37Å; D13-R16 IonicContact OD1-NH2 3.71Å; D13-A17 VanDerWaalsContact O-CB 3.32Å; D13-A17 WeakPolarHBondContact O-CB 3.39Å; D13-A17 PolarHBondContact O-N 3.37Å
14E72.3Confident67.1Low143 Ų143113.2 Ų113.267%0.66854%0.538SS*.Hα-helixtrans-63.6-44171.7-76.6-167.4169.200112.1E10 E11 A17 L18E10-E14 WeakPolarHBondContact O-CG 3.37Å; E10-E14 PolarHBondContact O-N 3.47Å; E11-E14 PolarHBondContact O-N 3.13Å; E14-A17 PolarHBondContact O-N 3.2Å; E14-L18 WeakPolarHBondContact O-CB 3.45Å; E14-L18 PolarHBondContact O-N 2.65Å
15E72.1Confident67.7Low125 Ų125115.7 Ų115.758%0.58454%0.544SS*.Hα-helixtrans-62.3-45.3177.1-171.1171.5-164.700110.7E11 A17 L18 E19E11-E15 WeakPolarHBondContact O-CB 3.49Å; E11-E15 PolarHBondContact O-N 3.11Å; E15-A17 PolarHBondContact O-N 3.37Å; E15-L18 WeakPolarHBondContact O-CB 3.33Å; E15-L18 PolarHBondContact O-N 3.06Å; E15-E19 WeakPolarHBondContact O-CG 3.38Å; E15-E19 PolarHBondContact O-N 3.36Å
16R74.3Confident68.2Low121 Ų121112.1 Ų112.146%0.45753%0.529SS..Hα-helixtrans-62.2-42.1176.1-165.8-175.8-57.6131.99.2112E12 D13 L18 E19 E20E12-R16 WeakPolarHBondContact O-CB 3.5Å; E12-R16 PolarHBondContact O-N 3.21Å; D13-R16 PolarHBondContact O-N 3.31Å; D13-R16 IonicContact OD1-CZ 3.48Å; D13-R16 IonicContact OD1-NH1 3.41Å; D13-R16 PolarHBondContact OD1-NH1 3.37Å; D13-R16 IonicContact OD1-NH2 3.71Å; R16-L18 VanDerWaalsContact C-N 3.32Å; R16-L18 PolarHBondContact O-N 2.97Å; R16-E19 PolarHBondContact O-N 2.96Å; R16-E20 WeakPolarHBondContact O-CG 3.48Å; R16-E20 PolarHBondContact O-N 3.34Å
17A74.9Confident69.4Low48 Ų48110 Ų11040%0.39753%0.526SS..Hα-helixtrans-64.8-37.7176.600000111.9D13 E14 E15 E20 Q21D13-A17 VanDerWaalsContact O-CB 3.32Å; D13-A17 WeakPolarHBondContact O-CB 3.39Å; D13-A17 PolarHBondContact O-N 3.37Å; E14-A17 PolarHBondContact O-N 3.2Å; E15-A17 PolarHBondContact O-N 3.37Å; A17-E20 PolarHBondContact O-N 2.95Å; A17-Q21 WeakPolarHBondContact O-CG 3.28Å; A17-Q21 PolarHBondContact O-N 3.48Å
18L74Confident70.8Confident60 Ų60112.5 Ų112.531%0.31454%0.54SS..Hα-helixtrans-67-43.3174.6-170.775.7000111.3E14 E15 R16 Q21 L22E14-L18 WeakPolarHBondContact O-CB 3.45Å; E14-L18 PolarHBondContact O-N 2.65Å; E15-L18 WeakPolarHBondContact O-CB 3.33Å; E15-L18 PolarHBondContact O-N 3.06Å; R16-L18 VanDerWaalsContact C-N 3.32Å; R16-L18 PolarHBondContact O-N 2.97Å; L18-Q21 PolarHBondContact O-N 3.45Å; L18-L22 HydrophobicContact CD2-CD1 4.45Å; L18-L22 HydrophobicContact CG-CD1 4.11Å; L18-L22 WeakPolarHBondContact O-CB 3.32Å; L18-L22 VanDerWaalsContact O-CG 3.28Å; L18-L22 WeakPolarHBondContact O-CG 3.41Å; L18-L22 PolarHBondContact O-N 3.41Å
19E71.5Confident72.3Confident112 Ų112108.3 Ų108.352%0.52353%0.528SS..Hα-helixtrans-59.3-45173.9-75.5-166.4145.700111.6E15 R16 Q21 L22 L23E15-E19 WeakPolarHBondContact O-CG 3.38Å; E15-E19 PolarHBondContact O-N 3.36Å; R16-E19 PolarHBondContact O-N 2.96Å; E19-Q21 PolarHBondContact O-N 2.98Å; E19-L22 PolarHBondContact O-N 2.85Å; E19-L23 WeakPolarHBondContact O-CB 3.36Å; E19-L23 VanDerWaalsContact O-CG 3.28Å; E19-L23 WeakPolarHBondContact O-CG 3.47Å; E19-L23 PolarHBondContact O-N 3.34Å
20E70.1Confident73.9Confident132 Ų132102.4 Ų102.462%0.61750%0.501SS*.Hα-helixtrans-62-41.9175.5-76.8-171171.800112.2R16 A17 L23 K24R16-E20 WeakPolarHBondContact O-CG 3.48Å; R16-E20 PolarHBondContact O-N 3.34Å; A17-E20 PolarHBondContact O-N 2.95Å; E20-L23 PolarHBondContact O-N 3.28Å; E20-K24 WeakPolarHBondContact O-CB 3.05Å; E20-K24 PolarHBondContact O-N 2.94Å
21Q68.6Low75.6Confident119 Ų11999.4 Ų99.456%0.55649%0.491SS*.Hα-helixtrans-64.2-43.8174.4-77.6-170-3.200111.7A17 L18 E19 L23 K24 Y25A17-Q21 WeakPolarHBondContact O-CG 3.28Å; A17-Q21 PolarHBondContact O-N 3.48Å; L18-Q21 PolarHBondContact O-N 3.45Å; E19-Q21 PolarHBondContact O-N 2.98Å; Q21-L23 VanDerWaalsContact C-N 3.33Å; Q21-L23 PolarHBondContact O-N 3.48Å; Q21-K24 WeakPolarHBondContact O-CB 3.39Å; Q21-K24 PolarHBondContact O-N 2.91Å; Q21-K24 VanDerWaalsContact O-N 3.13Å; Q21-Y25 WeakPolarHBondContact O-CD2 3.28Å; Q21-Y25 PolarHBondContact O-N 2.81Å
22L68.8Low77Confident53 Ų5394 Ų9428%0.27747%0.466SS..Hα-helixtrans-64.2-38.4177.9-76.8168.9000111.8L18 E19 K24 Y25 S26 P157L18-L22 HydrophobicContact CD2-CD1 4.45Å; L18-L22 HydrophobicContact CG-CD1 4.11Å; L18-L22 WeakPolarHBondContact O-CB 3.32Å; L18-L22 VanDerWaalsContact O-CG 3.28Å; L18-L22 WeakPolarHBondContact O-CG 3.41Å; L18-L22 PolarHBondContact O-N 3.41Å; E19-L22 PolarHBondContact O-N 2.85Å; L22-K24 VanDerWaalsContact C-N 3.33Å; L22-Y25 PolarHBondContact O-N 2.9Å; L22-S26 PolarHBondContact O-N 3.49Å; L22-P157 HydrophobicContact CB-CB 3.77Å; L22-P157 HydrophobicContact CB-CG 4.49Å; L22-P157 HydrophobicContact CD1-CB 4.47Å
23L66.9Low78.3Confident94 Ų9491 Ų9149%0.49245%0.45SS..Hα-helixtrans-63.8-37.7172.2-75.4169.5000111.7E19 E20 Q21 Y25 S26E19-L23 WeakPolarHBondContact O-CB 3.36Å; E19-L23 VanDerWaalsContact O-CG 3.28Å; E19-L23 WeakPolarHBondContact O-CG 3.47Å; E19-L23 PolarHBondContact O-N 3.34Å; E20-L23 PolarHBondContact O-N 3.28Å; Q21-L23 VanDerWaalsContact C-N 3.33Å; Q21-L23 PolarHBondContact O-N 3.48Å; L23-Y25 VanDerWaalsContact C-N 3.28Å; L23-Y25 PolarHBondContact O-N 3.21Å; L23-S26 VanDerWaalsContact O-CB 3.29Å; L23-S26 WeakPolarHBondContact O-CB 3.4Å; L23-S26 PolarHBondContact O-N 3.33Å; L23-S26 VanDerWaalsContact O-N 3.11Å; L23-S26 PolarHBondContact O-OG 2.81Å
24K66.5Low79.3Confident178 Ų17888.1 Ų88.177%0.77444%0.442SS*.Hα-helixtrans-64.9-29.8177.9-167.4176.8-178.2179.50113.5E20 Q21 L22E20-K24 WeakPolarHBondContact O-CB 3.05Å; E20-K24 PolarHBondContact O-N 2.94Å; Q21-K24 WeakPolarHBondContact O-CB 3.39Å; Q21-K24 PolarHBondContact O-N 2.91Å; Q21-K24 VanDerWaalsContact O-N 3.13Å; L22-K24 VanDerWaalsContact C-N 3.33Å
25Y67.9Low80.3Confident193 Ų19383.7 Ų83.776%0.75743%0.426SS*.THydrogen-bonded Turntrans-94.96.1174.9-69.6-72.9000113.6Q21 L22 L23Q21-Y25 WeakPolarHBondContact O-CD2 3.28Å; Q21-Y25 PolarHBondContact O-N 2.81Å; L22-Y25 PolarHBondContact O-N 2.9Å; L23-Y25 VanDerWaalsContact C-N 3.28Å; L23-Y25 PolarHBondContact O-N 3.21Å
26S72.1Confident81.1Confident48 Ų4878.8 Ų78.834%0.33641%0.409SS..PPolyproline II helixtrans-63.6135.5176.366.90000110L22 L23L22-S26 PolarHBondContact O-N 3.49Å; L23-S26 VanDerWaalsContact O-CB 3.29Å; L23-S26 WeakPolarHBondContact O-CB 3.4Å; L23-S26 PolarHBondContact O-N 3.33Å; L23-S26 VanDerWaalsContact O-N 3.11Å; L23-S26 PolarHBondContact O-OG 2.81Å
27P85.3Confident81.8Confident79 Ų7982 Ų8251%0.51343%0.429SS..PPolyproline II helixtrans-63.5152178.624-31.6000110.9F155P27-F155 HydrophobicContact CB-CD2 4.19Å; P27-F155 HydrophobicContact CG-CB 3.66Å; P27-F155 HydrophobicContact CG-CD1 4.36Å; P27-F155 HydrophobicContact CG-CD2 3.56Å; P27-F155 HydrophobicContact CG-CE2 4.25Å; P27-F155 HydrophobicContact CG-CG 3.6Å
28D89.6Confident82.4Confident147 Ų14782.6 Ų82.679%0.78643%0.428SS*.PPolyproline II helixtrans-52.6136.6-179.7-77.1-36.3000111.6
29P93.9Very high83Confident35 Ų3583.9 Ų83.923%0.22744%0.438CS..PPolyproline II helixtrans-65.9143.9-177.626.6-34.1000111.4V31 L152 I153 E154P29-V31 PolarHBondContact O-N 2.68Å; P29-L152 HydrophobicContact CB-CB 4.44Å; P29-I153 CarbonylContact C-O 3.58Å; P29-I153 VanDerWaalsContact CA-O 3.31Å; P29-I153 WeakPolarHBondContact CA-O 3.29Å; P29-E154 HydrophobicContact CB-CG 3.88Å
30V95.8Very high83.7Confident13 Ų1378.9 Ų78.98%0.07942%0.415CS..EExtended strand (participates in β ladder)trans-74.2126.2171.2-175.60000108.7P52 L55 I153 F155V30-P52 HydrophobicContact CG1-CB 3.67Å; V30-P52 HydrophobicContact CG1-CG 3.85Å; V30-L55 HydrophobicContact CG2-CD2 3.88Å; V30-L55 HydrophobicContact CG2-CG 4.25Å; V30-I153 HydrophobicContact CB-CB 4.15Å; V30-I153 PolarHBondContact N-O 3.46Å; V30-I153 PolarHBondContact O-N 2.84Å; V30-F155 HydrophobicContact CG2-CE2 3.96Å; V30-F155 HydrophobicContact CG2-CZ 3.9Å
31V96.1Very high84.5Confident61 Ų6177.2 Ų77.237%0.3741%0.406SS..EExtended strand (participates in β ladder)trans-101.3116.3-177.5-172.10000109.8P29 R33 V150 L152P29-V31 PolarHBondContact O-N 2.68Å; V31-R33 HydrophobicContact CG1-CG 4.04Å; V31-V150 HydrophobicContact CG1-CB 3.85Å; V31-V150 HydrophobicContact CG1-CG1 4.06Å; V31-V150 HydrophobicContact CG1-CG2 3.91Å; V31-L152 HydrophobicContact CB-CD2 4.35Å; V31-L152 HydrophobicContact CG1-CD2 4.21Å; V31-L152 HydrophobicContact CG2-CD2 3.78Å
32V96.3Very high85.5Confident5 Ų572.2 Ų72.23%0.0339%0.386CS..EExtended strand (participates in β ladder)trans-100.9112.5172.7-1760000109.2F47 E48 F64 I68 I151 I153V32-F47 HydrophobicContact CG1-CB 4.4Å; V32-E48 HydrophobicContact CG1-CB 4.37Å; V32-F64 HydrophobicContact CG2-CE2 4.12Å; V32-F64 HydrophobicContact CG2-CZ 4.07Å; V32-I68 HydrophobicContact CG1-CD1 4.05Å; V32-I151 HydrophobicContact CB-CB 4.2Å; V32-I151 PolarHBondContact N-O 3.28Å; V32-I151 PolarHBondContact O-N 3.2Å; V32-I153 HydrophobicContact CG2-CD1 3.92Å
33R95Very high86.6Confident55 Ų5569.8 Ų69.821%0.20837%0.373CS..  trans-92.9165.9-174.2-66.6177.8173.1-98-14.4112.5V31 E48 E142 E148 V150V31-R33 HydrophobicContact CG1-CG 4.04Å; R33-E48 PolarHBondContact O-N 3.44Å; R33-E142 VanDerWaalsContact CZ-CG 3.44Å; R33-E142 IonicContact CZ-OE1 3.48Å; R33-E142 IonicContact CZ-OE2 3.16Å; R33-E142 VanDerWaalsContact NE-CD 3.32Å; R33-E142 IonicContact NE-OE1 3.92Å; R33-E142 PolarHBondContact NE-OE1 3.12Å; R33-E142 IonicContact NE-OE2 3Å; R33-E142 PolarHBondContact NE-OE2 3.09Å; R33-E142 VanDerWaalsContact NH1-N 3.16Å; R33-E142 IonicContact NH1-OE1 2.67Å; R33-E142 IonicContact NH1-OE2 3.63Å; R33-E142 IonicContact NH2-OE1 3.89Å; R33-E142 PolarHBondContact NH2-OE1 3.02Å; R33-E142 IonicContact NH2-OE2 2.65Å; R33-E148 IonicContact CZ-OE1 2.94Å; R33-E148 IonicContact NH1-OE1 3.8Å; R33-E148 PolarHBondContact NH1-OE1 3.43Å; R33-V150 HydrophobicContact CG-CG1 4.13Å
34G93.2Very high87.8Confident30 Ų3065.6 Ų65.631%0.30935%0.352SS..BIsolated β-bridgetrans-71.3132.8173.400000111.9K46G34-K46 CarbonylContact C-O 3.55Å; G34-K46 VanDerWaalsContact CA-O 3.27Å; G34-K46 WeakPolarHBondContact CA-O 3.28Å
35S93.5Very high88.9Confident50 Ų5059.6 Ų59.635%0.3533%0.328SS..  trans-115.116.4174.855.80000112.3K46 F47 E48S35-K46 PolarHBondContact N-O 3.07Å; S35-F47 PolarHBondContact OG-O 2.85Å; S35-E48 WeakPolarHBondContact OG-CA 3.39Å; S35-E48 PolarHBondContact OG-N 3.47Å
36G89.3Confident90.2Very high21 Ų2155 Ų5522%0.21631%0.312CS..  trans-89.3158.8-174.200000114S44 N45 K46G36-S44 WeakPolarHBondContact CA-OG 3.41Å; G36-S44 PolarHBondContact N-OG 2.86Å; G36-N45 WeakPolarHBondContact CA-OD1 3.31Å; G36-K46 PolarHBondContact N-O 3.28Å
37H88.4Confident91.4Very high189 Ų18952.7 Ų52.788%0.87530%0.296SS*.SBendtrans-87.4-12.3176.5-57.2-64.9000113.7N45H37-N45 PolarHBondContact N-OD1 3.41Å
38V87.1Confident91.8Very high61 Ų6153 Ų5337%0.3729%0.291SS..  trans-123.1126.8-177.8-179.50000108.9V40 N45 L79 V83V38-V40 HydrophobicContact CG1-CG2 4.19Å; V38-N45 HydrophobicContact CB-CB 4.15Å; V38-N45 PolarHBondContact N-OD1 3.39Å; V38-N45 WeakPolarHBondContact O-CB 3.46Å; V38-N45 PolarHBondContact O-N 3.33Å; V38-N45 PolarHBondContact O-OD1 2.67Å; V38-L79 HydrophobicContact CG1-CD2 4.11Å; V38-V83 HydrophobicContact CG1-CG2 4.18Å
39T87.7Confident92.1Very high87 Ų8748.1 Ų48.153%0.53427%0.268SS..EExtended strand (participates in β ladder)trans-124.3130.3176.9-63.60000109.7L43T39-L43 WeakPolarHBondContact CA-O 3.27Å
40V85.4Confident92.2Very high7 Ų753.3 Ų53.34%0.04229%0.289CS..EExtended strand (participates in β ladder)trans-126.3114.3-178.6-179.20000109.1V38 G42 L43 L79 V83V38-V40 HydrophobicContact CG1-CG2 4.19Å; V40-G42 VanDerWaalsContact C-N 3.25Å; V40-G42 PolarHBondContact O-N 2.86Å; V40-L43 PolarHBondContact N-O 2.84Å; V40-L43 WeakPolarHBondContact O-CB 3.47Å; V40-L43 PolarHBondContact O-N 2.81Å; V40-L79 HydrophobicContact CB-CD1 4.16Å; V40-L79 HydrophobicContact CG2-CD1 4.19Å; V40-L79 HydrophobicContact CG2-CD2 4.11Å; V40-L79 HydrophobicContact CG2-CG 4.1Å; V40-V83 HydrophobicContact CG2-CG2 3.73Å
41F86.3Confident92.2Very high97 Ų9755.1 Ų55.143%0.42530%0.296SS..THydrogen-bonded Turntrans49.542.6-172.1-55.4-78.5000113.7L43 L86 V104 Y149F41-L43 VanDerWaalsContact C-N 3.26Å; F41-L43 PolarHBondContact O-N 2.92Å; F41-L86 HydrophobicContact CZ-CD1 4.19Å; F41-V104 HydrophobicContact CE2-CG1 3.64Å; F41-V104 HydrophobicContact CZ-CG1 3.9Å; F41-Y149 WeakPolarHBondContact O-CE2 3.49Å
42G90.3Very high92.1Very high13 Ų1353.5 Ų53.513%0.13429%0.287CS..THydrogen-bonded Turntrans80.6-5.6-179.100000115V40 M147 E148 Y149V40-G42 VanDerWaalsContact C-N 3.25Å; V40-G42 PolarHBondContact O-N 2.86Å; G42-M147 WeakPolarHBondContact CA-O 3.29Å; G42-E148 CarbonylContact O-C 3.54Å; G42-E148 VanDerWaalsContact O-CA 3.31Å; G42-E148 WeakPolarHBondContact O-CA 3.42Å; G42-Y149 PolarHBondContact O-N 3.1Å
43L91.2Very high92.1Very high2 Ų257.8 Ų57.81%0.0132%0.318CS..EExtended strand (participates in β ladder)trans-91.1115.5175.9-174.565.5000110.2T39 V40 F41 F47 L75 T111 R112 I115 Y149T39-L43 WeakPolarHBondContact CA-O 3.27Å; V40-L43 PolarHBondContact N-O 2.84Å; V40-L43 WeakPolarHBondContact O-CB 3.47Å; V40-L43 PolarHBondContact O-N 2.81Å; F41-L43 VanDerWaalsContact C-N 3.26Å; F41-L43 PolarHBondContact O-N 2.92Å; L43-F47 HydrophobicContact CD1-CE2 4.3Å; L43-F47 HydrophobicContact CD1-CZ 4.13Å; L43-L75 HydrophobicContact CD1-CD2 4.27Å; L43-L75 HydrophobicContact CD2-CD2 3.79Å; L43-L75 HydrophobicContact CG-CD2 3.96Å; L43-T111 HydrophobicContact CD2-CG2 3.99Å; L43-R112 HydrophobicContact CD2-CG 4.34Å; L43-I115 HydrophobicContact CD1-CD1 4.21Å; L43-I115 HydrophobicContact CD2-CD1 4.06Å; L43-Y149 HydrophobicContact CB-CD2 4.05Å; L43-Y149 HydrophobicContact CD1-CG 4.33Å
44S92Very high92Very high7 Ų759 Ų595%0.04933%0.334CS..EExtended strand (participates in β ladder)trans-68148.5174.1175.40000111.4G36 K46G36-S44 WeakPolarHBondContact CA-OG 3.41Å; G36-S44 PolarHBondContact N-OG 2.86Å; S44-K46 PolarHBondContact O-N 2.83Å; S44-K46 PolarHBondContact OG-N 3.44Å; S44-K46 PolarHBondContact OG-O 2.95Å
45N90.7Very high92Very high52 Ų5257.5 Ų57.528%0.27832%0.319SS..SBendtrans-73.4-8.9174.477.9-30000114.3G36 H37 V38 L79G36-N45 WeakPolarHBondContact CA-OD1 3.31Å; H37-N45 PolarHBondContact N-OD1 3.41Å; V38-N45 HydrophobicContact CB-CB 4.15Å; V38-N45 PolarHBondContact N-OD1 3.39Å; V38-N45 WeakPolarHBondContact O-CB 3.46Å; V38-N45 PolarHBondContact O-N 3.33Å; V38-N45 PolarHBondContact O-OD1 2.67Å; N45-L79 HydrophobicContact CB-CD2 3.19Å
46K94.8Very high92.1Very high95 Ų9559.9 Ų59.941%0.41333%0.332SS..  trans-152.9135.8177.7-173.2-176.4175.1-166.20110.3G34 S35 G36 S44 N72G34-K46 CarbonylContact C-O 3.55Å; G34-K46 VanDerWaalsContact CA-O 3.27Å; G34-K46 WeakPolarHBondContact CA-O 3.28Å; S35-K46 PolarHBondContact N-O 3.07Å; G36-K46 PolarHBondContact N-O 3.28Å; S44-K46 PolarHBondContact O-N 2.83Å; S44-K46 PolarHBondContact OG-N 3.44Å; S44-K46 PolarHBondContact OG-O 2.95Å; K46-N72 WeakPolarHBondContact CA-OD1 3.4Å
47F96.4Very high92.2Very high0 Ų062.8 Ų62.80%036%0.362CS..BIsolated β-bridgetrans-92.5147.7165.2-73.1-77000110.7V32 S35 L43 S49 V71 N72 L75 L136 Y149 I151V32-F47 HydrophobicContact CG1-CB 4.4Å; S35-F47 PolarHBondContact OG-O 2.85Å; L43-F47 HydrophobicContact CD1-CE2 4.3Å; L43-F47 HydrophobicContact CD1-CZ 4.13Å; F47-S49 PolarHBondContact O-N 3.45Å; F47-V71 HydrophobicContact CD2-CG1 3.83Å; F47-V71 HydrophobicContact CE2-CG1 4.1Å; F47-N72 PolarHBondContact N-OD1 3.15Å; F47-N72 PolarHBondContact O-ND2 3.36Å; F47-N72 VanDerWaalsContact O-ND2 3.08Å; F47-L75 HydrophobicContact CD2-CD1 3.65Å; F47-L75 HydrophobicContact CE2-CD1 3.78Å; F47-L136 HydrophobicContact CZ-CD1 4.11Å; F47-Y149 WeakPolarHBondContact CE1-O 3.18Å; F47-I151 HydrophobicContact CB-CD1 4.39Å; F47-I151 HydrophobicContact CD1-CD1 4.07Å; F47-I151 HydrophobicContact CD1-CG1 4.16Å; F47-I151 HydrophobicContact CD2-CD1 3.8Å; F47-I151 HydrophobicContact CD2-CG1 4.4Å; F47-I151 HydrophobicContact CE1-CD1 4.32Å; F47-I151 HydrophobicContact CE1-CG1 3.99Å; F47-I151 HydrophobicContact CE2-CD1 4.03Å; F47-I151 HydrophobicContact CE2-CG1 4.21Å; F47-I151 HydrophobicContact CG-CD1 3.81Å; F47-I151 HydrophobicContact CG-CG1 4.38Å; F47-I151 HydrophobicContact CZ-CD1 4.29Å; F47-I151 HydrophobicContact CZ-CG1 4Å
48E95.5Very high92.5Very high85 Ų8558.4 Ų58.440%0.39734%0.34SS..  trans-53.9133172.5-173.1160.8-113.900111.7V32 R33 S35 E50V32-E48 HydrophobicContact CG1-CB 4.37Å; R33-E48 PolarHBondContact O-N 3.44Å; S35-E48 WeakPolarHBondContact OG-CA 3.39Å; S35-E48 PolarHBondContact OG-N 3.47Å; E48-E50 HydrophobicContact CG-CB 3.93Å
49S94.5Very high92.9Very high45 Ų4556.1 Ų56.132%0.31533%0.326SS..  trans-108.43.3-178.959.80000112.7F47F47-S49 PolarHBondContact O-N 3.45Å
50E95.8Very high93.3Very high144 Ų14453.7 Ų53.767%0.67332%0.315SS*.SBendtrans-70.1140.1171.8-172.7168.1-17900109.2E48 P52 F64E48-E50 HydrophobicContact CG-CB 3.93Å; E50-P52 WeakPolarHBondContact O-CD 3.26Å; E50-F64 VanDerWaalsContact O-CE1 3.28Å; E50-F64 WeakPolarHBondContact O-CE1 3.46Å
51F96.3Very high93.9Very high51 Ų5156.6 Ų56.622%0.22433%0.334CS..PPolyproline II helixtrans-77.2120.2-176.9-178.5-100.5000109.7S53 L55 V59 P61 F64F51-S53 PolarHBondContact O-N 3.41Å; F51-L55 HydrophobicContact CE1-CB 4.3Å; F51-L55 HydrophobicContact CE2-CB 4.07Å; F51-L55 HydrophobicContact CZ-CB 3.68Å; F51-V59 HydrophobicContact CE2-CG1 4.14Å; F51-V59 HydrophobicContact CZ-CG1 4.47Å; F51-V59 WeakPolarHBondContact CZ-O 3.25Å; F51-P61 HydrophobicContact CB-CB 4.41Å; F51-P61 HydrophobicContact CD1-CG 4.3Å; F51-P61 HydrophobicContact CD2-CB 3.85Å; F51-P61 HydrophobicContact CD2-CG 4.16Å; F51-P61 HydrophobicContact CE1-CG 4.29Å; F51-P61 HydrophobicContact CE2-CB 4.2Å; F51-P61 HydrophobicContact CE2-CG 4.13Å; F51-P61 HydrophobicContact CG-CB 4.03Å; F51-P61 HydrophobicContact CG-CG 4.22Å; F51-P61 HydrophobicContact CZ-CG 4.2Å; F51-F64 HydrophobicContact CD2-CB 3.82Å; F51-F64 AromaticContact CD2-CD1 3.97Å; F51-F64 HydrophobicContact CD2-CD1 3.97Å; F51-F64 AromaticContact CD2-CG 3.86Å; F51-F64 HydrophobicContact CD2-CG 3.86Å; F51-F64 HydrophobicContact CE2-CB 3.97Å; F51-F64 HydrophobicContact CE2-CG 4.3Å
52P95.3Very high94.4Very high27 Ų2757.9 Ų57.918%0.17534%0.342CS..PPolyproline II helixtrans-71125.9179.428.2-34000110.2V30 E50 S54 L55 F64V30-P52 HydrophobicContact CG1-CB 3.67Å; V30-P52 HydrophobicContact CG1-CG 3.85Å; E50-P52 WeakPolarHBondContact O-CD 3.26Å; P52-S54 PolarHBondContact O-N 3.2Å; P52-S54 VanDerWaalsContact O-N 3.12Å; P52-L55 HydrophobicContact CG-CB 4.29Å; P52-L55 HydrophobicContact CG-CD1 3.49Å; P52-L55 VanDerWaalsContact CG-CD1 3.49Å; P52-L55 HydrophobicContact CG-CG 3.77Å; P52-L55 WeakPolarHBondContact O-CB 3.43Å; P52-L55 PolarHBondContact O-N 3.1Å; P52-F64 VanDerWaalsContact CD-CZ 3.44Å; P52-F64 HydrophobicContact CG-CE2 3.95Å; P52-F64 HydrophobicContact CG-CZ 4.11Å
53S94.6Very high94.7Very high96 Ų9660.5 Ų60.567%0.67135%0.35SS*.G310 helixtrans-57.9-28.9-17856.40000113.1F51 L55 T56F51-S53 PolarHBondContact O-N 3.41Å; S53-L55 PolarHBondContact O-N 3.49Å; S53-L55 VanDerWaalsContact O-N 3.13Å; S53-T56 WeakPolarHBondContact O-CB 3.35Å; S53-T56 PolarHBondContact O-N 2.94Å; S53-T56 PolarHBondContact O-OG1 2.86Å
54S93Very high95Very high79 Ų7960.4 Ų60.455%0.55235%0.35SS*.G310 helixtrans-61.4-16.3174.6-48.90000114.5P52P52-S54 PolarHBondContact O-N 3.2Å; P52-S54 VanDerWaalsContact O-N 3.12Å
55L94.5Very high95.2Very high0 Ų065.7 Ų65.70%037%0.372CS..G310 helixtrans-94.90.5175.3-65.3-175.7000113.5V30 F51 P52 S53 G57 K58 V59 F64 L132 I153 F155V30-L55 HydrophobicContact CG2-CD2 3.88Å; V30-L55 HydrophobicContact CG2-CG 4.25Å; F51-L55 HydrophobicContact CE1-CB 4.3Å; F51-L55 HydrophobicContact CE2-CB 4.07Å; F51-L55 HydrophobicContact CZ-CB 3.68Å; P52-L55 HydrophobicContact CG-CB 4.29Å; P52-L55 HydrophobicContact CG-CD1 3.49Å; P52-L55 VanDerWaalsContact CG-CD1 3.49Å; P52-L55 HydrophobicContact CG-CG 3.77Å; P52-L55 WeakPolarHBondContact O-CB 3.43Å; P52-L55 PolarHBondContact O-N 3.1Å; S53-L55 PolarHBondContact O-N 3.49Å; S53-L55 VanDerWaalsContact O-N 3.13Å; L55-G57 PolarHBondContact O-N 2.91Å; L55-K58 WeakPolarHBondContact O-CB 3.45Å; L55-K58 PolarHBondContact O-N 3.49Å; L55-V59 HydrophobicContact CB-CG1 3.92Å; L55-V59 HydrophobicContact CD1-CG1 3.95Å; L55-V59 HydrophobicContact CG-CG1 4.41Å; L55-V59 PolarHBondContact O-N 2.93Å; L55-F64 HydrophobicContact CD1-CD2 3.82Å; L55-F64 HydrophobicContact CD1-CE2 4.06Å; L55-L132 HydrophobicContact CD2-CD1 4.49Å; L55-L132 HydrophobicContact CD2-CD2 4.44Å; L55-I153 HydrophobicContact CD1-CD1 3.71Å; L55-I153 HydrophobicContact CD2-CG2 4.12Å; L55-F155 HydrophobicContact CD2-CE1 4.44Å; L55-F155 HydrophobicContact CD2-CZ 4.27Å
56T94.1Very high95.5Very high99 Ų9964.6 Ų64.661%0.60737%0.37SS*.THydrogen-bonded Turntrans-58.2128.5178.8-56.70000110.1S53 K58S53-T56 WeakPolarHBondContact O-CB 3.35Å; S53-T56 PolarHBondContact O-N 2.94Å; S53-T56 PolarHBondContact O-OG1 2.86Å; T56-K58 PolarHBondContact O-N 3.2Å
57G93.3Very high95.6Very high83 Ų8360.1 Ų60.186%0.85635%0.351SS*.THydrogen-bonded Turntrans76.61.8-176.200000115.2L55L55-G57 PolarHBondContact O-N 2.91Å
58K93.9Very high95.7Very high97 Ų9760.1 Ų60.142%0.42235%0.351SS..THydrogen-bonded Turntrans-107.6-41177.7-57.6-71.4-174157.50112.7L55 T56 L132 F155L55-K58 WeakPolarHBondContact O-CB 3.45Å; L55-K58 PolarHBondContact O-N 3.49Å; T56-K58 PolarHBondContact O-N 3.2Å; K58-L132 HydrophobicContact CB-CD1 4.45Å; K58-F155 HydrophobicContact CG-CE1 4.47Å
59V96.1Very high95.7Very high12 Ų1259.5 Ų59.57%0.07335%0.35CS..SBendtrans-142.2148176.657.30000110F51 L55 E63 Y127 L130 L132F51-V59 HydrophobicContact CE2-CG1 4.14Å; F51-V59 HydrophobicContact CZ-CG1 4.47Å; F51-V59 WeakPolarHBondContact CZ-O 3.25Å; L55-V59 HydrophobicContact CB-CG1 3.92Å; L55-V59 HydrophobicContact CD1-CG1 3.95Å; L55-V59 HydrophobicContact CG-CG1 4.41Å; L55-V59 PolarHBondContact O-N 2.93Å; V59-E63 HydrophobicContact CG2-CB 4.03Å; V59-Y127 HydrophobicContact CG2-CE1 3.94Å; V59-L130 HydrophobicContact CB-CD1 3.86Å; V59-L130 HydrophobicContact CG2-CD1 3.83Å; V59-L132 HydrophobicContact CB-CD1 4.29Å; V59-L132 HydrophobicContact CG1-CD1 4.27Å
60A96Very high95.8Very high37 Ų3761.4 Ų61.431%0.30635%0.35SS..  trans-70.3137177.200000111.3E62 E63 F64A60-E62 VanDerWaalsContact CB-CD 3.48Å; A60-E62 HydrophobicContact CB-CG 4.35Å; A60-E62 WeakPolarHBondContact CB-OE1 3.42Å; A60-E62 PolarHBondContact O-N 3.41Å; A60-E63 HydrophobicContact CB-CG 4.46Å; A60-E63 PolarHBondContact O-N 3.35Å; A60-E63 VanDerWaalsContact O-N 3.1Å; A60-F64 PolarHBondContact O-N 3.24Å
61P96.7Very high95.9Very high68 Ų6854.6 Ų54.644%0.44232%0.318SS..Hα-helixtrans-56.9-33.2-177.8-27.535.6000114.9F51 K65F51-P61 HydrophobicContact CB-CB 4.41Å; F51-P61 HydrophobicContact CD1-CG 4.3Å; F51-P61 HydrophobicContact CD2-CB 3.85Å; F51-P61 HydrophobicContact CD2-CG 4.16Å; F51-P61 HydrophobicContact CE1-CG 4.29Å; F51-P61 HydrophobicContact CE2-CB 4.2Å; F51-P61 HydrophobicContact CE2-CG 4.13Å; F51-P61 HydrophobicContact CG-CB 4.03Å; F51-P61 HydrophobicContact CG-CG 4.22Å; F51-P61 HydrophobicContact CZ-CG 4.2Å; P61-K65 VanDerWaalsContact O-CB 3.25Å; P61-K65 WeakPolarHBondContact O-CB 3.08Å; P61-K65 PolarHBondContact O-N 3.01Å
62E96.8Very high95.8Very high124 Ų12453 Ų5358%0.57931%0.313SS*.Hα-helixtrans-67.3-37.5177.362.6-83.3-163.200112.8A60 K65 A66A60-E62 VanDerWaalsContact CB-CD 3.48Å; A60-E62 HydrophobicContact CB-CG 4.35Å; A60-E62 WeakPolarHBondContact CB-OE1 3.42Å; A60-E62 PolarHBondContact O-N 3.41Å; E62-K65 PolarHBondContact O-N 2.92Å; E62-A66 VanDerWaalsContact O-CB 3.26Å; E62-A66 WeakPolarHBondContact O-CB 3.42Å; E62-A66 PolarHBondContact O-N 3.14Å
63E96.5Very high95.8Very high67 Ų6754.8 Ų54.831%0.31333%0.325SS..Hα-helixtrans-69.5-45.6176.4-73.5-60.4151.400110.5V59 A60 K65 A66 S67 R125 L126V59-E63 HydrophobicContact CG2-CB 4.03Å; A60-E63 HydrophobicContact CB-CG 4.46Å; A60-E63 PolarHBondContact O-N 3.35Å; A60-E63 VanDerWaalsContact O-N 3.1Å; E63-K65 VanDerWaalsContact C-N 3.33Å; E63-K65 PolarHBondContact O-N 2.91Å; E63-A66 PolarHBondContact O-N 3.49Å; E63-S67 PolarHBondContact O-N 2.81Å; E63-S67 PolarHBondContact O-OG 2.71Å; E63-S67 VanDerWaalsContact O-OG 3.12Å; E63-R125 IonicContact OE2-NH2 3.45Å; E63-R125 PolarHBondContact OE2-NH2 2.94Å; E63-L126 HydrophobicContact CB-CD2 3.75Å; E63-L126 HydrophobicContact CG-CD2 3.85Å
64F97.3Very high95.7Very high1 Ų151 Ų510%0.00430%0.299CS..Hα-helixtrans-54.4-51.6173.2174.2-89.5000111V32 E50 F51 P52 L55 A60 A66 S67 I68 W134 I153V32-F64 HydrophobicContact CG2-CE2 4.12Å; V32-F64 HydrophobicContact CG2-CZ 4.07Å; E50-F64 VanDerWaalsContact O-CE1 3.28Å; E50-F64 WeakPolarHBondContact O-CE1 3.46Å; F51-F64 HydrophobicContact CD2-CB 3.82Å; F51-F64 AromaticContact CD2-CD1 3.97Å; F51-F64 HydrophobicContact CD2-CD1 3.97Å; F51-F64 AromaticContact CD2-CG 3.86Å; F51-F64 HydrophobicContact CD2-CG 3.86Å; F51-F64 HydrophobicContact CE2-CB 3.97Å; F51-F64 HydrophobicContact CE2-CG 4.3Å; P52-F64 VanDerWaalsContact CD-CZ 3.44Å; P52-F64 HydrophobicContact CG-CE2 3.95Å; P52-F64 HydrophobicContact CG-CZ 4.11Å; L55-F64 HydrophobicContact CD1-CD2 3.82Å; L55-F64 HydrophobicContact CD1-CE2 4.06Å; A60-F64 PolarHBondContact O-N 3.24Å; F64-A66 VanDerWaalsContact C-N 3.32Å; F64-A66 PolarHBondContact O-N 3.46Å; F64-S67 PolarHBondContact O-N 2.84Å; F64-I68 HydrophobicContact CD1-CG1 4.34Å; F64-I68 HydrophobicContact CE1-CG1 3.84Å; F64-I68 HydrophobicContact CE2-CG1 4.15Å; F64-I68 HydrophobicContact CZ-CD1 4.25Å; F64-I68 HydrophobicContact CZ-CG1 3.72Å; F64-I68 PolarHBondContact O-N 2.83Å; F64-W134 AromaticContact CD2-CH2 3.42Å; F64-W134 HydrophobicContact CD2-CH2 3.42Å; F64-W134 VanDerWaalsContact CD2-CH2 3.42Å; F64-W134 AromaticContact CD2-CZ2 3.51Å; F64-W134 HydrophobicContact CD2-CZ2 3.51Å; F64-W134 AromaticContact CE2-CH2 3.48Å; F64-W134 HydrophobicContact CE2-CH2 3.48Å; F64-W134 VanDerWaalsContact CE2-CH2 3.48Å; F64-W134 AromaticContact CE2-CZ2 3.83Å; F64-W134 HydrophobicContact CE2-CZ2 3.83Å; F64-W134 HydrophobicContact CE2-CZ3 4.5Å; F64-W134 HydrophobicContact CG-CH2 4.31Å; F64-W134 HydrophobicContact CZ-CH2 4.41Å; F64-I153 HydrophobicContact CD2-CD1 4.42Å; F64-I153 HydrophobicContact CE2-CD1 3.88Å
65K97.2Very high95.7Very high118 Ų11847.2 Ų47.251%0.51327%0.272SS..Hα-helixtrans-62.5-39.2-179.3-172.7173.2-1761760111.4P61 E62 E63 N69P61-K65 VanDerWaalsContact O-CB 3.25Å; P61-K65 WeakPolarHBondContact O-CB 3.08Å; P61-K65 PolarHBondContact O-N 3.01Å; E62-K65 PolarHBondContact O-N 2.92Å; E63-K65 VanDerWaalsContact C-N 3.33Å; E63-K65 PolarHBondContact O-N 2.91Å; K65-N69 WeakPolarHBondContact O-CB 3.37Å; K65-N69 PolarHBondContact O-N 3.28Å; K65-N69 PolarHBondContact O-ND2 3.28Å
66A96.9Very high95.4Very high28 Ų2855.4 Ų55.423%0.23131%0.308CS..Hα-helixtrans-63.3-47.8176.300000111.8E62 E63 F64 N69 R70E62-A66 VanDerWaalsContact O-CB 3.26Å; E62-A66 WeakPolarHBondContact O-CB 3.42Å; E62-A66 PolarHBondContact O-N 3.14Å; E63-A66 PolarHBondContact O-N 3.49Å; F64-A66 VanDerWaalsContact C-N 3.32Å; F64-A66 PolarHBondContact O-N 3.46Å; A66-N69 PolarHBondContact O-N 3.24Å; A66-R70 WeakPolarHBondContact O-CG 3.34Å; A66-R70 PolarHBondContact O-N 2.81Å
67S97.1Very high95Very high1 Ų158.3 Ų58.31%0.00731%0.312CS..Hα-helixtrans-62.3-47.3178.9-54.80000111.6E63 F64 N69 R70 V71 E122 Y127E63-S67 PolarHBondContact O-N 2.81Å; E63-S67 PolarHBondContact O-OG 2.71Å; E63-S67 VanDerWaalsContact O-OG 3.12Å; F64-S67 PolarHBondContact O-N 2.84Å; S67-N69 VanDerWaalsContact C-N 3.32Å; S67-N69 PolarHBondContact O-N 3.34Å; S67-R70 WeakPolarHBondContact O-CB 3.28Å; S67-R70 PolarHBondContact O-N 3.16Å; S67-R70 VanDerWaalsContact O-N 3.15Å; S67-V71 PolarHBondContact O-N 2.64Å; S67-V71 VanDerWaalsContact O-N 3.1Å; S67-E122 VanDerWaalsContact OG-CD 3.22Å; S67-E122 PolarHBondContact OG-OE2 3.02Å; S67-Y127 WeakPolarHBondContact CB-OH 3.41Å; S67-Y127 WeakPolarHBondContact OG-CE2 3.35Å; S67-Y127 PolarHBondContact OG-OH 3.02Å
68I97.4Very high94.4Very high0 Ų056.4 Ų56.40%028%0.282CS..Hα-helixtrans-60.9-40.3175.5-70.4-68.4000111.6V32 F64 R70 V71 N72 W134 I151V32-I68 HydrophobicContact CG1-CD1 4.05Å; F64-I68 HydrophobicContact CD1-CG1 4.34Å; F64-I68 HydrophobicContact CE1-CG1 3.84Å; F64-I68 HydrophobicContact CE2-CG1 4.15Å; F64-I68 HydrophobicContact CZ-CD1 4.25Å; F64-I68 HydrophobicContact CZ-CG1 3.72Å; F64-I68 PolarHBondContact O-N 2.83Å; I68-R70 VanDerWaalsContact C-N 3.31Å; I68-R70 PolarHBondContact O-N 2.87Å; I68-V71 PolarHBondContact O-N 2.87Å; I68-N72 WeakPolarHBondContact CG2-ND2 3.44Å; I68-N72 WeakPolarHBondContact O-CB 3.31Å; I68-N72 PolarHBondContact O-N 2.82Å; I68-W134 HydrophobicContact CD1-CH2 4.01Å; I68-W134 HydrophobicContact CD1-CZ3 3.57Å; I68-W134 HydrophobicContact CG1-CH2 3.93Å; I68-W134 HydrophobicContact CG1-CZ3 3.93Å; I68-I151 HydrophobicContact CD1-CD1 3.89Å
69N97Very high93.6Very high72 Ų7252.1 Ų52.139%0.38526%0.264SS..Hα-helixtrans-64.5-33.8177.2-77.3-26.7000112.8K65 A66 S67 S73K65-N69 WeakPolarHBondContact O-CB 3.37Å; K65-N69 PolarHBondContact O-N 3.28Å; K65-N69 PolarHBondContact O-ND2 3.28Å; A66-N69 PolarHBondContact O-N 3.24Å; S67-N69 VanDerWaalsContact C-N 3.32Å; S67-N69 PolarHBondContact O-N 3.34Å; N69-S73 VanDerWaalsContact O-CB 3.3Å; N69-S73 WeakPolarHBondContact O-CB 3.3Å; N69-S73 PolarHBondContact O-N 3.31Å; N69-S73 PolarHBondContact O-OG 3.06Å
70R96.3Very high92.7Very high85 Ų8555.2 Ų55.232%0.32128%0.284SS..Hα-helixtrans-66.4-42.9172.7-67.7-179-164.497.56.8111.1A66 S67 I68 S73 C74 L118 E122 R125A66-R70 WeakPolarHBondContact O-CG 3.34Å; A66-R70 PolarHBondContact O-N 2.81Å; S67-R70 WeakPolarHBondContact O-CB 3.28Å; S67-R70 PolarHBondContact O-N 3.16Å; S67-R70 VanDerWaalsContact O-N 3.15Å; I68-R70 VanDerWaalsContact C-N 3.31Å; I68-R70 PolarHBondContact O-N 2.87Å; R70-S73 WeakPolarHBondContact O-CB 3.35Å; R70-S73 PolarHBondContact O-N 2.7Å; R70-C74 PolarHBondContact O-N 3.37Å; R70-L118 HydrophobicContact CB-CD1 4.29Å; R70-L118 HydrophobicContact CB-CD2 3.95Å; R70-E122 VanDerWaalsContact CD-OE1 3.29Å; R70-E122 WeakPolarHBondContact CD-OE1 3.25Å; R70-E122 IonicContact CZ-OE1 3.49Å; R70-E122 IonicContact NE-OE1 3.69Å; R70-E122 IonicContact NH1-OE1 2.68Å; R70-E122 PolarHBondContact NH1-OE1 3.22Å; R70-E122 IonicContact NH1-OE2 2.71Å; R70-R125 VanDerWaalsContact NH1-NH2 3.13Å
71V96.6Very high91.8Very high1 Ų156.7 Ų56.71%0.00629%0.289CS..Hα-helixtrans-60.7-49.6174.5177.50000110.7F47 S67 I68 S73 C74 L75 I115 L118 L119 I151F47-V71 HydrophobicContact CD2-CG1 3.83Å; F47-V71 HydrophobicContact CE2-CG1 4.1Å; S67-V71 PolarHBondContact O-N 2.64Å; S67-V71 VanDerWaalsContact O-N 3.1Å; I68-V71 PolarHBondContact O-N 2.87Å; V71-S73 VanDerWaalsContact C-N 3.27Å; V71-S73 PolarHBondContact O-N 2.86Å; V71-C74 WeakPolarHBondContact O-CA 3.43Å; V71-C74 VanDerWaalsContact O-CB 3.29Å; V71-C74 WeakPolarHBondContact O-CB 3.11Å; V71-C74 PolarHBondContact O-N 3.24Å; V71-L75 HydrophobicContact CG1-CD1 4.31Å; V71-L75 PolarHBondContact O-N 3.22Å; V71-I115 HydrophobicContact CG1-CG1 4.5Å; V71-I115 HydrophobicContact CG1-CG2 4.05Å; V71-L118 HydrophobicContact CB-CD2 4.3Å; V71-L118 HydrophobicContact CG2-CD2 3.76Å; V71-L119 HydrophobicContact CG2-CD2 3.97Å; V71-I151 HydrophobicContact CG1-CD1 4.21Å
72N96.1Very high90.9Very high19 Ų1953.6 Ų53.610%0.10227%0.269CS..Hα-helixtrans-61.8-34.4178.2-76.1-24.3000112.4K46 F47 I68 L75 K76K46-N72 WeakPolarHBondContact CA-OD1 3.4Å; F47-N72 PolarHBondContact N-OD1 3.15Å; F47-N72 PolarHBondContact O-ND2 3.36Å; F47-N72 VanDerWaalsContact O-ND2 3.08Å; I68-N72 WeakPolarHBondContact CG2-ND2 3.44Å; I68-N72 WeakPolarHBondContact O-CB 3.31Å; I68-N72 PolarHBondContact O-N 2.82Å; N72-L75 PolarHBondContact O-N 3.02Å; N72-K76 WeakPolarHBondContact O-CB 3.39Å; N72-K76 PolarHBondContact O-N 3.21Å
73S94.5Very high90Very high63 Ų6349.8 Ų49.844%0.44125%0.254SS..Hα-helixtrans-66.5-38.2173.3-64.10000112.4N69 R70 V71 K77N69-S73 VanDerWaalsContact O-CB 3.3Å; N69-S73 WeakPolarHBondContact O-CB 3.3Å; N69-S73 PolarHBondContact O-N 3.31Å; N69-S73 PolarHBondContact O-OG 3.06Å; R70-S73 WeakPolarHBondContact O-CB 3.35Å; R70-S73 PolarHBondContact O-N 2.7Å; V71-S73 VanDerWaalsContact C-N 3.27Å; V71-S73 PolarHBondContact O-N 2.86Å; S73-K77 WeakPolarHBondContact O-CG 3.47Å; S73-K77 PolarHBondContact O-N 3.28Å
74C92.5Very high89.3Confident17 Ų1756.1 Ų56.112%0.11528%0.275CS..Hα-helixtrans-63-45172.6-176.30000111.3R70 V71 K77 N78 S114R70-C74 PolarHBondContact O-N 3.37Å; V71-C74 WeakPolarHBondContact O-CA 3.43Å; V71-C74 VanDerWaalsContact O-CB 3.29Å; V71-C74 WeakPolarHBondContact O-CB 3.11Å; V71-C74 PolarHBondContact O-N 3.24Å; C74-K77 PolarHBondContact O-N 3.31Å; C74-N78 PolarHBondContact O-N 2.8Å; C74-N78 PolarHBondContact O-ND2 2.94Å; C74-S114 PolarHBondContact SG-OG 3.38Å
75L92.1Very high88.6Confident0 Ų062.2 Ų62.20%030%0.298CS..Hα-helixtrans-60.9-48.7176.9-72169.6000112.1L43 F47 V71 N72 K77 N78 L79 T111 I115L43-L75 HydrophobicContact CD1-CD2 4.27Å; L43-L75 HydrophobicContact CD2-CD2 3.79Å; L43-L75 HydrophobicContact CG-CD2 3.96Å; F47-L75 HydrophobicContact CD2-CD1 3.65Å; F47-L75 HydrophobicContact CE2-CD1 3.78Å; V71-L75 HydrophobicContact CG1-CD1 4.31Å; V71-L75 PolarHBondContact O-N 3.22Å; N72-L75 PolarHBondContact O-N 3.02Å; L75-K77 PolarHBondContact O-N 3.36Å; L75-N78 PolarHBondContact O-N 3.42Å; L75-L79 WeakPolarHBondContact O-CB 3.44Å; L75-L79 PolarHBondContact O-N 3.08Å; L75-T111 HydrophobicContact CD2-CG2 4.27Å; L75-I115 HydrophobicContact CD2-CD1 3.55Å; L75-I115 HydrophobicContact CG-CD1 4.08Å
76K88.6Confident87.8Confident171 Ų17158.6 Ų58.674%0.74328%0.284SS*.Hα-helixtrans-57.6-35.2-179.9-172.6177.2-179.1-1800112.8N72 P80N72-K76 WeakPolarHBondContact O-CB 3.39Å; N72-K76 PolarHBondContact O-N 3.21Å; K76-P80 VanDerWaalsContact O-CD 3.25Å; K76-P80 WeakPolarHBondContact O-CD 3.27Å
77K86.1Confident87Confident160 Ų16062.4 Ų62.470%0.69630%0.3SS*.Hα-helixtrans-74.4-38.5179.1-71.9175.3-178.7-178.60112.9S73 C74 L75S73-K77 WeakPolarHBondContact O-CG 3.47Å; S73-K77 PolarHBondContact O-N 3.28Å; C74-K77 PolarHBondContact O-N 3.31Å; L75-K77 PolarHBondContact O-N 3.36Å
78N79.9Confident86.3Confident43 Ų4365.3 Ų65.323%0.2332%0.32CS..Hα-helixtrans-96.5-35.9-169.6-70.3-81.8000113.7C74 L75 V81 N82 T111C74-N78 PolarHBondContact O-N 2.8Å; C74-N78 PolarHBondContact O-ND2 2.94Å; L75-N78 PolarHBondContact O-N 3.42Å; N78-V81 WeakPolarHBondContact O-CB 3.46Å; N78-V81 PolarHBondContact O-N 3.27Å; N78-N82 PolarHBondContact O-N 3.2Å; N78-N82 VanDerWaalsContact O-N 3.15Å; N78-N82 PolarHBondContact O-OD1 2.99Å; N78-N82 VanDerWaalsContact O-OD1 3.1Å; N78-T111 HydrophobicContact CB-CG2 3.88Å
79L77Confident85.4Confident7 Ų765.5 Ų65.54%0.03732%0.322CS..Hα-helixtrans-64.8-38.7-172.4-145.179.6000115.9V38 V40 N45 L75 V81 N82 V83V38-L79 HydrophobicContact CG1-CD2 4.11Å; V40-L79 HydrophobicContact CB-CD1 4.16Å; V40-L79 HydrophobicContact CG2-CD1 4.19Å; V40-L79 HydrophobicContact CG2-CD2 4.11Å; V40-L79 HydrophobicContact CG2-CG 4.1Å; N45-L79 HydrophobicContact CB-CD2 3.19Å; L75-L79 WeakPolarHBondContact O-CB 3.44Å; L75-L79 PolarHBondContact O-N 3.08Å; L79-V81 PolarHBondContact O-N 3.39Å; L79-N82 WeakPolarHBondContact O-CB 3.26Å; L79-N82 PolarHBondContact O-N 2.93Å; L79-N82 VanDerWaalsContact O-N 3.1Å; L79-V83 WeakPolarHBondContact O-CG2 3.43Å; L79-V83 PolarHBondContact O-N 3.1Å
80P77.2Confident84.5Confident77 Ų7765.2 Ų65.250%0.533%0.325SS..Hα-helixtrans-63.9-32.617824.3-33.5000112.2K76 R84K76-P80 VanDerWaalsContact O-CD 3.25Å; K76-P80 WeakPolarHBondContact O-CD 3.27Å; P80-R84 WeakPolarHBondContact O-CB 3.35Å; P80-R84 PolarHBondContact O-N 2.73Å
81V78.4Confident83.8Confident68 Ų6868 Ų6841%0.41235%0.346SS..Hα-helixtrans-63.6-50172.4-179.80000109N78 L79 V83 R84 W85N78-V81 WeakPolarHBondContact O-CB 3.46Å; N78-V81 PolarHBondContact O-N 3.27Å; L79-V81 PolarHBondContact O-N 3.39Å; V81-V83 VanDerWaalsContact C-N 3.32Å; V81-V83 PolarHBondContact O-N 3.15Å; V81-R84 PolarHBondContact O-N 3.29Å; V81-W85 PolarHBondContact O-N 2.95Å
82N77.6Confident82.8Confident3 Ų370.6 Ų70.62%0.01636%0.363CS..Hα-helixtrans-57.7-42.7179-60.72.2000112.4N78 L79 W85 L86 L107 T111N78-N82 PolarHBondContact O-N 3.2Å; N78-N82 VanDerWaalsContact O-N 3.15Å; N78-N82 PolarHBondContact O-OD1 2.99Å; N78-N82 VanDerWaalsContact O-OD1 3.1Å; L79-N82 WeakPolarHBondContact O-CB 3.26Å; L79-N82 PolarHBondContact O-N 2.93Å; L79-N82 VanDerWaalsContact O-N 3.1Å; N82-W85 PolarHBondContact O-N 3.4Å; N82-L86 VanDerWaalsContact O-CB 3.31Å; N82-L86 WeakPolarHBondContact O-CB 3.48Å; N82-L86 PolarHBondContact O-N 3.4Å; N82-L107 WeakPolarHBondContact OD1-CB 3.48Å; N82-T111 PolarHBondContact ND2-OG1 2.83Å
83V77.7Confident81.6Confident44 Ų4471.9 Ų71.927%0.26737%0.373SS..Hα-helixtrans-65.4-43.2178.2174.30000111.2V38 V40 L79 V81 W85 L86 L87V38-V83 HydrophobicContact CG1-CG2 4.18Å; V40-V83 HydrophobicContact CG2-CG2 3.73Å; L79-V83 WeakPolarHBondContact O-CG2 3.43Å; L79-V83 PolarHBondContact O-N 3.1Å; V81-V83 VanDerWaalsContact C-N 3.32Å; V81-V83 PolarHBondContact O-N 3.15Å; V83-W85 VanDerWaalsContact C-N 3.34Å; V83-W85 PolarHBondContact O-N 2.89Å; V83-L86 WeakPolarHBondContact O-CB 3.38Å; V83-L86 PolarHBondContact O-N 3.12Å; V83-L87 HydrophobicContact CG1-CD1 4.24Å; V83-L87 HydrophobicContact CG1-CG 4.49Å; V83-L87 WeakPolarHBondContact O-CG 2.99Å; V83-L87 PolarHBondContact O-N 3.39Å
84R82Confident80.5Confident201 Ų20174.8 Ų74.876%0.75839%0.392SS*.Hα-helixtrans-61.8-42.7177.3-174.1176.4179.3168.4-0.1111.9P80 V81 C88P80-R84 WeakPolarHBondContact O-CB 3.35Å; P80-R84 PolarHBondContact O-N 2.73Å; V81-R84 PolarHBondContact O-N 3.29Å; R84-C88 WeakPolarHBondContact O-CB 3.4Å; R84-C88 PolarHBondContact O-N 3.36Å; R84-C88 VanDerWaalsContact O-N 3.1Å
85W82Confident79.6Confident128 Ų12879.4 Ų79.449%0.48542%0.423SS..Hα-helixtrans-68.4-36.4175.1-77.799.2000112.2V81 N82 V83 C88 G89 P103 V104 L107V81-W85 PolarHBondContact O-N 2.95Å; N82-W85 PolarHBondContact O-N 3.4Å; V83-W85 VanDerWaalsContact C-N 3.34Å; V83-W85 PolarHBondContact O-N 2.89Å; W85-C88 PolarHBondContact O-N 3.02Å; W85-G89 PolarHBondContact O-N 3.03Å; W85-P103 HydrophobicContact CE3-CB 4.18Å; W85-V104 HydrophobicContact CB-CG2 4.22Å; W85-V104 VanDerWaalsContact O-CG2 3.29Å; W85-V104 WeakPolarHBondContact O-CG2 3.41Å; W85-L107 HydrophobicContact CB-CD1 3.53Å; W85-L107 HydrophobicContact CD2-CD1 4.13Å; W85-L107 HydrophobicContact CG-CD1 3.37Å
86L80.2Confident78.6Confident42 Ų4281.9 Ų81.922%0.2244%0.438CS..Hα-helixtrans-60.2-48.7174.3177.566.4000111.2F41 N82 V83 C88 G89 C90 M101 V104F41-L86 HydrophobicContact CZ-CD1 4.19Å; N82-L86 VanDerWaalsContact O-CB 3.31Å; N82-L86 WeakPolarHBondContact O-CB 3.48Å; N82-L86 PolarHBondContact O-N 3.4Å; V83-L86 WeakPolarHBondContact O-CB 3.38Å; V83-L86 PolarHBondContact O-N 3.12Å; L86-C88 PolarHBondContact O-N 3.22Å; L86-G89 PolarHBondContact O-N 2.74Å; L86-C90 PolarHBondContact O-N 2.71Å; L86-C90 PolarHBondContact O-SG 2.85Å; L86-M101 HydrophobicContact CD1-CE 3.67Å; L86-V104 HydrophobicContact CB-CG1 3.76Å; L86-V104 HydrophobicContact CD1-CG1 3.71Å; L86-V104 HydrophobicContact CG-CG1 4.31Å
87L81.5Confident78.1Confident108 Ų10882.2 Ų82.257%0.56545%0.447SS*.Hα-helixtrans-61.6-44.6178.2-68.7173.6000111.7V83 C90 L91V83-L87 HydrophobicContact CG1-CD1 4.24Å; V83-L87 HydrophobicContact CG1-CG 4.49Å; V83-L87 WeakPolarHBondContact O-CG 2.99Å; V83-L87 PolarHBondContact O-N 3.39Å; L87-C90 PolarHBondContact O-N 3.37Å; L87-L91 WeakPolarHBondContact O-CD1 3.49Å; L87-L91 WeakPolarHBondContact O-CG 3.4Å; L87-L91 PolarHBondContact O-N 2.84Å
88C81.4Confident77.4Confident63 Ų6375.9 Ų75.943%0.42643%0.427SS..Hα-helixtrans-60.7-44.1174.4-173.80000111.9R84 W85 L86 C90 L91 C92R84-C88 WeakPolarHBondContact O-CB 3.4Å; R84-C88 PolarHBondContact O-N 3.36Å; R84-C88 VanDerWaalsContact O-N 3.1Å; W85-C88 PolarHBondContact O-N 3.02Å; L86-C88 PolarHBondContact O-N 3.22Å; C88-C90 PolarHBondContact O-N 3.12Å; C88-L91 PolarHBondContact O-N 3.37Å; C88-C92 PolarHBondContact O-N 3.04Å; C88-C92 PolarHBondContact O-SG 3.07Å
89G77.8Confident77.1Confident3 Ų378.2 Ų78.23%0.03145%0.446CS..Hα-helixtrans-59.8-44.9177.200000112.4W85 L86 C92 C93 S100W85-G89 PolarHBondContact O-N 3.03Å; L86-G89 PolarHBondContact O-N 2.74Å; G89-C92 CarbonylContact O-C 3.5Å; G89-C92 PolarHBondContact O-N 3.3Å; G89-C93 WeakPolarHBondContact O-CA 3.36Å; G89-C93 WeakPolarHBondContact O-CB 3.44Å; G89-C93 PolarHBondContact O-N 3.32Å; G89-S100 PolarHBondContact O-OG 3.41Å
90C79.5Confident76.9Confident67 Ų6778.9 Ų78.945%0.45345%0.451SS..Hα-helixtrans-64.3-44.2176.5-69.50000112.3L86 L87 C88 C92 C93L86-C90 PolarHBondContact O-N 2.71Å; L86-C90 PolarHBondContact O-SG 2.85Å; L87-C90 PolarHBondContact O-N 3.37Å; C88-C90 PolarHBondContact O-N 3.12Å; C90-C92 VanDerWaalsContact C-N 3.28Å; C90-C92 PolarHBondContact O-N 2.81Å; C90-C93 VanDerWaalsContact O-CB 3.24Å; C90-C93 WeakPolarHBondContact O-CB 3.43Å; C90-C93 PolarHBondContact O-N 3.28Å
91L81Confident76.6Confident144 Ų14477.3 Ų77.375%0.75444%0.437SS*.Hα-helixtrans-60.3-38.2176.9-78157.7000112L87 C88L87-L91 WeakPolarHBondContact O-CD1 3.49Å; L87-L91 WeakPolarHBondContact O-CG 3.4Å; L87-L91 PolarHBondContact O-N 2.84Å; C88-L91 PolarHBondContact O-N 3.37Å
92C75.3Confident76.6Confident54 Ų5481.9 Ų81.937%0.36545%0.448SS..THydrogen-bonded Turntrans-932.1-179.9-62.80000114C88 G89 C90 C94 C95 T96C88-C92 PolarHBondContact O-N 3.04Å; C88-C92 PolarHBondContact O-SG 3.07Å; G89-C92 CarbonylContact O-C 3.5Å; G89-C92 PolarHBondContact O-N 3.3Å; C90-C92 VanDerWaalsContact C-N 3.28Å; C90-C92 PolarHBondContact O-N 2.81Å; C92-C94 VanDerWaalsContact C-N 3.31Å; C92-C94 PolarHBondContact O-N 2.93Å; C92-C95 PolarHBondContact O-N 3.48Å; C92-C95 VanDerWaalsContact O-N 3.11Å; C92-T96 PolarHBondContact O-N 3.47Å; C92-T96 PolarHBondContact O-OG1 3.29Å
93C72Confident76.6Confident47 Ų4784.1 Ų84.132%0.31846%0.462SS..G310 helixtrans-60.9-40.1-170.9-173.10000111.9G89 C90 C95 T96 G98 S100G89-C93 WeakPolarHBondContact O-CA 3.36Å; G89-C93 WeakPolarHBondContact O-CB 3.44Å; G89-C93 PolarHBondContact O-N 3.32Å; C90-C93 VanDerWaalsContact O-CB 3.24Å; C90-C93 WeakPolarHBondContact O-CB 3.43Å; C90-C93 PolarHBondContact O-N 3.28Å; C93-C95 VanDerWaalsContact C-N 3.26Å; C93-C95 PolarHBondContact O-N 2.84Å; C93-T96 PolarHBondContact O-N 3.34Å; C93-G98 PolarHBondContact O-N 3.48Å; C93-S100 WeakPolarHBondContact CA-OG 3.22Å
94C70.5Confident76.5Confident124 Ų12482 Ų8284%0.83845%0.45SS*.G310 helixtrans-66.9-25.5179.5-57.50000113.3C92C92-C94 VanDerWaalsContact C-N 3.31Å; C92-C94 PolarHBondContact O-N 2.93Å
95C74Confident76.4Confident113 Ų11375.5 Ų75.576%0.76443%0.429SS*.G310 helixtrans-91.5-13-174.3-560000113.5C92 C93C92-C95 PolarHBondContact O-N 3.48Å; C92-C95 VanDerWaalsContact O-N 3.11Å; C93-C95 VanDerWaalsContact C-N 3.26Å; C93-C95 PolarHBondContact O-N 2.84Å
96T71.1Confident76.4Confident53 Ų5371.7 Ų71.733%0.32542%0.421SS..THydrogen-bonded Turntrans-126.215.4-170.160.60000113.5C92 C93 G98 C99 S100C92-T96 PolarHBondContact O-N 3.47Å; C92-T96 PolarHBondContact O-OG1 3.29Å; C93-T96 PolarHBondContact O-N 3.34Å; T96-G98 PolarHBondContact O-N 3.12Å; T96-G98 VanDerWaalsContact O-N 3.11Å; T96-C99 VanDerWaalsContact O-CB 3.22Å; T96-C99 WeakPolarHBondContact O-CB 3.23Å; T96-C99 PolarHBondContact O-N 3Å; T96-C99 PolarHBondContact O-SG 2.9Å; T96-C99 VanDerWaalsContact O-SG 3.36Å; T96-S100 WeakPolarHBondContact OG1-CB 3.35Å; T96-S100 PolarHBondContact OG1-N 2.85Å; T96-S100 PolarHBondContact OG1-OG 3.27Å
97L77Confident76.3Confident178 Ų17871.3 Ų71.393%0.93242%0.419SS*.THydrogen-bonded Turntrans50.333.7-173.8-62.5172.7000112.4C99L97-C99 VanDerWaalsContact C-N 3.35Å; L97-C99 PolarHBondContact O-N 2.95Å
98G72.4Confident76.4Confident27 Ų2766.4 Ų66.428%0.27839%0.394SS..THydrogen-bonded Turntrans81.7-1.9-177.100000116.1C93 T96 S100 M101C93-G98 PolarHBondContact O-N 3.48Å; T96-G98 PolarHBondContact O-N 3.12Å; T96-G98 VanDerWaalsContact O-N 3.11Å; G98-S100 PolarHBondContact O-N 3.41Å; G98-M101 WeakPolarHBondContact O-CB 3.36Å; G98-M101 PolarHBondContact O-N 2.84Å
99C72.6Confident76.7Confident92 Ų9267.1 Ų67.162%0.62239%0.39SS*.G310 helixtrans-60.2-26.6175.7-68.60000112.8T96 L97 M101 W102T96-C99 VanDerWaalsContact O-CB 3.22Å; T96-C99 WeakPolarHBondContact O-CB 3.23Å; T96-C99 PolarHBondContact O-N 3Å; T96-C99 PolarHBondContact O-SG 2.9Å; T96-C99 VanDerWaalsContact O-SG 3.36Å; L97-C99 VanDerWaalsContact C-N 3.35Å; L97-C99 PolarHBondContact O-N 2.95Å; C99-M101 PolarHBondContact O-N 3.2Å; C99-M101 VanDerWaalsContact O-N 3.09Å; C99-W102 WeakPolarHBondContact O-CB 3.46Å; C99-W102 PolarHBondContact O-N 2.83Å; C99-W102 VanDerWaalsContact O-N 3.12Å
100S73.6Confident77.3Confident21 Ų2175.4 Ų75.415%0.14742%0.42CS..G310 helixtrans-61.2-13.7174620000114.2G89 C93 T96 G98 P103G89-S100 PolarHBondContact O-OG 3.41Å; C93-S100 WeakPolarHBondContact CA-OG 3.22Å; T96-S100 WeakPolarHBondContact OG1-CB 3.35Å; T96-S100 PolarHBondContact OG1-N 2.85Å; T96-S100 PolarHBondContact OG1-OG 3.27Å; G98-S100 PolarHBondContact O-N 3.41Å; S100-P103 WeakPolarHBondContact O-CD 3.39Å
101M71.9Confident77.8Confident43 Ų4372.2 Ų72.221%0.21240%0.399CS..G310 helixtrans-87.1-15.2177.7-62.5-62.8-73.900113.2L86 G98 C99 V104 I105L86-M101 HydrophobicContact CD1-CE 3.67Å; G98-M101 WeakPolarHBondContact O-CB 3.36Å; G98-M101 PolarHBondContact O-N 2.84Å; C99-M101 PolarHBondContact O-N 3.2Å; C99-M101 VanDerWaalsContact O-N 3.09Å; M101-V104 WeakPolarHBondContact O-CB 3.4Å; M101-V104 PolarHBondContact O-N 2.92Å; M101-V104 VanDerWaalsContact O-N 3.13Å; M101-I105 WeakPolarHBondContact O-CG1 3.43Å; M101-I105 PolarHBondContact O-N 3Å
102W77.3Confident78.4Confident165 Ų16568.1 Ų68.163%0.62537%0.373SS*.Hα-helixtrans-59.2-45.3179.1-178.1-101.6000113.9C99 V104 I105 C106C99-W102 WeakPolarHBondContact O-CB 3.46Å; C99-W102 PolarHBondContact O-N 2.83Å; C99-W102 VanDerWaalsContact O-N 3.12Å; W102-V104 PolarHBondContact O-N 3.37Å; W102-I105 PolarHBondContact O-N 3.05Å; W102-C106 VanDerWaalsContact CE2-SG 3.56Å; W102-C106 PolarHBondContact NE1-SG 3.42Å; W102-C106 VanDerWaalsContact NE1-SG 3.39Å; W102-C106 WeakPolarHBondContact O-CB 3.49Å; W102-C106 PolarHBondContact O-N 3.3Å; W102-C106 PolarHBondContact O-SG 2.88Å; W102-C106 VanDerWaalsContact O-SG 3.41Å
103P77.4Confident79.3Confident49 Ų4973.4 Ų73.432%0.31839%0.385SS..Hα-helixtrans-55.8-38.9174.6-25.435.2000112.3W85 S100 C106 L107W85-P103 HydrophobicContact CE3-CB 4.18Å; S100-P103 WeakPolarHBondContact O-CD 3.39Å; P103-C106 PolarHBondContact O-N 2.68Å; P103-L107 VanDerWaalsContact O-CB 3.32Å; P103-L107 WeakPolarHBondContact O-CB 3.4Å; P103-L107 WeakPolarHBondContact O-CG 3.42Å; P103-L107 PolarHBondContact O-N 2.76Å
104V76.7Confident80.3Confident1 Ų173.6 Ų73.61%0.00639%0.387CS..Hα-helixtrans-68.2-43.7-178.5-173.40000111.2F41 W85 L86 M101 W102 L107 S108F41-V104 HydrophobicContact CE2-CG1 3.64Å; F41-V104 HydrophobicContact CZ-CG1 3.9Å; W85-V104 HydrophobicContact CB-CG2 4.22Å; W85-V104 VanDerWaalsContact O-CG2 3.29Å; W85-V104 WeakPolarHBondContact O-CG2 3.41Å; L86-V104 HydrophobicContact CB-CG1 3.76Å; L86-V104 HydrophobicContact CD1-CG1 3.71Å; L86-V104 HydrophobicContact CG-CG1 4.31Å; M101-V104 WeakPolarHBondContact O-CB 3.4Å; M101-V104 PolarHBondContact O-N 2.92Å; M101-V104 VanDerWaalsContact O-N 3.13Å; W102-V104 PolarHBondContact O-N 3.37Å; V104-L107 PolarHBondContact O-N 2.98Å; V104-S108 PolarHBondContact O-N 2.92Å
105I78.3Confident81.5Confident64 Ų6467.7 Ų67.733%0.32835%0.347SS..Hα-helixtrans-62.1-44.9174.6-65.1165.4000110.3M101 W102 L107 S108 K109M101-I105 WeakPolarHBondContact O-CG1 3.43Å; M101-I105 PolarHBondContact O-N 3Å; W102-I105 PolarHBondContact O-N 3.05Å; I105-L107 PolarHBondContact O-N 3.32Å; I105-S108 PolarHBondContact O-N 3.43Å; I105-K109 HydrophobicContact CG2-CD 4.21Å; I105-K109 WeakPolarHBondContact O-CB 3.42Å; I105-K109 WeakPolarHBondContact O-CG 3.2Å; I105-K109 PolarHBondContact O-N 3.03Å
106C81.8Confident82.6Confident48 Ų4866.5 Ų66.532%0.32433%0.331SS..Hα-helixtrans-62.2-41.6177.2-75.80000112.4W102 P103 K109 R110W102-C106 VanDerWaalsContact CE2-SG 3.56Å; W102-C106 PolarHBondContact NE1-SG 3.42Å; W102-C106 VanDerWaalsContact NE1-SG 3.39Å; W102-C106 WeakPolarHBondContact O-CB 3.49Å; W102-C106 PolarHBondContact O-N 3.3Å; W102-C106 PolarHBondContact O-SG 2.88Å; W102-C106 VanDerWaalsContact O-SG 3.41Å; P103-C106 PolarHBondContact O-N 2.68Å; C106-K109 PolarHBondContact O-N 3.26Å; C106-R110 WeakPolarHBondContact O-CB 3.29Å; C106-R110 PolarHBondContact O-N 2.84Å
107L79.2Confident83.9Confident34 Ų3471.8 Ų71.818%0.17835%0.349CS..Hα-helixtrans-64.9-45.3177.1-78.3173.6000112N82 W85 P103 V104 I105 K109 R110 T111N82-L107 WeakPolarHBondContact OD1-CB 3.48Å; W85-L107 HydrophobicContact CB-CD1 3.53Å; W85-L107 HydrophobicContact CD2-CD1 4.13Å; W85-L107 HydrophobicContact CG-CD1 3.37Å; P103-L107 VanDerWaalsContact O-CB 3.32Å; P103-L107 WeakPolarHBondContact O-CB 3.4Å; P103-L107 WeakPolarHBondContact O-CG 3.42Å; P103-L107 PolarHBondContact O-N 2.76Å; V104-L107 PolarHBondContact O-N 2.98Å; I105-L107 PolarHBondContact O-N 3.32Å; L107-K109 PolarHBondContact O-N 2.84Å; L107-R110 WeakPolarHBondContact O-CB 3.3Å; L107-R110 PolarHBondContact O-N 3.14Å; L107-T111 PolarHBondContact O-N 3.02Å; L107-T111 PolarHBondContact O-OG1 2.99Å; L107-T111 VanDerWaalsContact O-OG1 3.13Å
108S83.4Confident84.8Confident4 Ų465.1 Ų65.13%0.02831%0.314CS..Hα-helixtrans-59.3-47.7173.1179.40000111.3V104 I105 R110 T111 R112V104-S108 PolarHBondContact O-N 2.92Å; I105-S108 PolarHBondContact O-N 3.43Å; S108-R110 VanDerWaalsContact C-N 3.29Å; S108-R110 PolarHBondContact O-N 3.04Å; S108-T111 PolarHBondContact O-N 3.03Å; S108-R112 WeakPolarHBondContact O-CG 3.4Å; S108-R112 PolarHBondContact O-N 3.48Å
109K88.3Confident86Confident79 Ų7964 Ų6434%0.34330%0.302SS..Hα-helixtrans-56.5-41.8174.6-75.8178.9178.9179.40112I105 C106 L107 R112 R113I105-K109 HydrophobicContact CG2-CD 4.21Å; I105-K109 WeakPolarHBondContact O-CB 3.42Å; I105-K109 WeakPolarHBondContact O-CG 3.2Å; I105-K109 PolarHBondContact O-N 3.03Å; C106-K109 PolarHBondContact O-N 3.26Å; L107-K109 PolarHBondContact O-N 2.84Å; K109-R112 PolarHBondContact O-N 3.01Å; K109-R113 WeakPolarHBondContact O-CG 3.29Å; K109-R113 PolarHBondContact O-N 3.32Å
110R89.9Confident87.2Confident176 Ų17663.8 Ų63.866%0.66429%0.292SS*.Hα-helixtrans-63.3-45.4178-176.9177.6-176.5163.12.2111.8C106 L107 S108 R113 S114C106-R110 WeakPolarHBondContact O-CB 3.29Å; C106-R110 PolarHBondContact O-N 2.84Å; L107-R110 WeakPolarHBondContact O-CB 3.3Å; L107-R110 PolarHBondContact O-N 3.14Å; S108-R110 VanDerWaalsContact C-N 3.29Å; S108-R110 PolarHBondContact O-N 3.04Å; R110-R113 PolarHBondContact O-N 2.9Å; R110-S114 PolarHBondContact O-N 3.24Å
111T90.5Very high88.4Confident0 Ų069.2 Ų69.20%031%0.309CS..Hα-helixtrans-60.9-46.4177.3-52.70000111.1L43 L75 N78 N82 L107 S108 R113 S114 I115L43-T111 HydrophobicContact CD2-CG2 3.99Å; L75-T111 HydrophobicContact CD2-CG2 4.27Å; N78-T111 HydrophobicContact CB-CG2 3.88Å; N82-T111 PolarHBondContact ND2-OG1 2.83Å; L107-T111 PolarHBondContact O-N 3.02Å; L107-T111 PolarHBondContact O-OG1 2.99Å; L107-T111 VanDerWaalsContact O-OG1 3.13Å; S108-T111 PolarHBondContact O-N 3.03Å; T111-R113 PolarHBondContact O-N 3.22Å; T111-S114 WeakPolarHBondContact O-CB 3.43Å; T111-S114 PolarHBondContact O-N 3.37Å; T111-S114 VanDerWaalsContact O-N 3.14Å; T111-I115 HydrophobicContact CG2-CD1 4.2Å; T111-I115 WeakPolarHBondContact O-CG1 3.44Å; T111-I115 PolarHBondContact O-N 3.2Å
112R93.3Very high89.6Confident59 Ų5967.2 Ų67.222%0.22330%0.299CS..Hα-helixtrans-59-48.6177.6-64.2-177.2-35.7-155.611.1112.2L43 S108 K109 S114 I115 E116 L136 Y149L43-R112 HydrophobicContact CD2-CG 4.34Å; S108-R112 WeakPolarHBondContact O-CG 3.4Å; S108-R112 PolarHBondContact O-N 3.48Å; K109-R112 PolarHBondContact O-N 3.01Å; R112-S114 PolarHBondContact O-N 3.38Å; R112-I115 WeakPolarHBondContact O-CA 3.38Å; R112-I115 WeakPolarHBondContact O-CB 3.44Å; R112-I115 PolarHBondContact O-N 3.07Å; R112-E116 WeakPolarHBondContact O-CG 3.49Å; R112-E116 PolarHBondContact O-N 3.1Å; R112-L136 HydrophobicContact CB-CD2 4.27Å; R112-L136 HydrophobicContact CG-CD2 4.43Å; R112-Y149 VanDerWaalsContact CD-CZ 3.41Å; R112-Y149 WeakPolarHBondContact CD-OH 3.32Å; R112-Y149 PolarHBondContact NH1-OH 3.43Å
113R93.6Very high90.6Very high165 Ų16559.3 Ų59.362%0.62327%0.269SS*.Hα-helixtrans-57.8-36.9175.7-74178.3-178.5176.9-0.7112.6K109 R110 T111 I115 E116 K117K109-R113 WeakPolarHBondContact O-CG 3.29Å; K109-R113 PolarHBondContact O-N 3.32Å; R110-R113 PolarHBondContact O-N 2.9Å; T111-R113 PolarHBondContact O-N 3.22Å; R113-I115 VanDerWaalsContact C-N 3.34Å; R113-E116 WeakPolarHBondContact CA-OE2 3.44Å; R113-K117 WeakPolarHBondContact O-CB 3.47Å; R113-K117 VanDerWaalsContact O-CG 3.31Å; R113-K117 WeakPolarHBondContact O-CG 3.5Å; R113-K117 PolarHBondContact O-N 3.18Å
114S93.9Very high91.5Very high51 Ų5161.5 Ų61.536%0.35728%0.278SS..Hα-helixtrans-68.2-34.7176.7-167.10000112.4C74 R110 T111 R112 L118C74-S114 PolarHBondContact SG-OG 3.38Å; R110-S114 PolarHBondContact O-N 3.24Å; T111-S114 WeakPolarHBondContact O-CB 3.43Å; T111-S114 PolarHBondContact O-N 3.37Å; T111-S114 VanDerWaalsContact O-N 3.14Å; R112-S114 PolarHBondContact O-N 3.38Å; S114-L118 WeakPolarHBondContact O-CB 3.38Å; S114-L118 PolarHBondContact O-N 2.82Å
115I95.7Very high92.5Very high0 Ų065.1 Ų65.10%029%0.292CS..Hα-helixtrans-71.8-47.3174.8-65166.3000109.9L43 V71 L75 T111 R112 R113 K117 L118 L119 L136L43-I115 HydrophobicContact CD1-CD1 4.21Å; L43-I115 HydrophobicContact CD2-CD1 4.06Å; V71-I115 HydrophobicContact CG1-CG1 4.5Å; V71-I115 HydrophobicContact CG1-CG2 4.05Å; L75-I115 HydrophobicContact CD2-CD1 3.55Å; L75-I115 HydrophobicContact CG-CD1 4.08Å; T111-I115 HydrophobicContact CG2-CD1 4.2Å; T111-I115 WeakPolarHBondContact O-CG1 3.44Å; T111-I115 PolarHBondContact O-N 3.2Å; R112-I115 WeakPolarHBondContact O-CA 3.38Å; R112-I115 WeakPolarHBondContact O-CB 3.44Å; R112-I115 PolarHBondContact O-N 3.07Å; R113-I115 VanDerWaalsContact C-N 3.34Å; I115-K117 VanDerWaalsContact C-N 3.32Å; I115-K117 PolarHBondContact O-N 3.29Å; I115-L118 WeakPolarHBondContact O-CA 3.41Å; I115-L118 WeakPolarHBondContact O-CB 3.45Å; I115-L118 PolarHBondContact O-N 3.29Å; I115-L119 HydrophobicContact CG2-CD1 4.11Å; I115-L119 HydrophobicContact CG2-CG 4.22Å; I115-L119 WeakPolarHBondContact O-CG 3.43Å; I115-L119 PolarHBondContact O-N 3.36Å; I115-L136 HydrophobicContact CB-CD2 4.42Å; I115-L136 HydrophobicContact CG2-CD1 4.36Å; I115-L136 HydrophobicContact CG2-CD2 4.22Å
116E96.8Very high93.3Very high88 Ų8863.7 Ų63.741%0.41129%0.285SS..Hα-helixtrans-54.6-47.4176.4-71.5161.8179.200111.1R112 R113 L118 L119 E120 L136R112-E116 WeakPolarHBondContact O-CG 3.49Å; R112-E116 PolarHBondContact O-N 3.1Å; R113-E116 WeakPolarHBondContact CA-OE2 3.44Å; E116-L118 VanDerWaalsContact C-N 3.31Å; E116-L118 PolarHBondContact O-N 2.97Å; E116-L119 PolarHBondContact O-N 3.33Å; E116-E120 WeakPolarHBondContact O-CB 3.4Å; E116-E120 PolarHBondContact O-N 3.19Å; E116-L136 HydrophobicContact CG-CB 4.24Å; E116-L136 HydrophobicContact CG-CD2 4.33Å
117K97.1Very high94Very high164 Ų16461.4 Ų61.471%0.71327%0.269SS*.Hα-helixtrans-61.6-36.6174.7-75.2-175.9178.5-165.10113.6R113 I115 W121R113-K117 WeakPolarHBondContact O-CB 3.47Å; R113-K117 VanDerWaalsContact O-CG 3.31Å; R113-K117 WeakPolarHBondContact O-CG 3.5Å; R113-K117 PolarHBondContact O-N 3.18Å; I115-K117 VanDerWaalsContact C-N 3.32Å; I115-K117 PolarHBondContact O-N 3.29Å; K117-W121 PolarHBondContact O-N 3.43Å
118L97.3Very high94.8Very high37 Ų3762.9 Ų62.919%0.19428%0.275CS..Hα-helixtrans-69-43.7177.3177.367.5000111R70 V71 S114 I115 E116 E120 W121 E122R70-L118 HydrophobicContact CB-CD1 4.29Å; R70-L118 HydrophobicContact CB-CD2 3.95Å; V71-L118 HydrophobicContact CB-CD2 4.3Å; V71-L118 HydrophobicContact CG2-CD2 3.76Å; S114-L118 WeakPolarHBondContact O-CB 3.38Å; S114-L118 PolarHBondContact O-N 2.82Å; I115-L118 WeakPolarHBondContact O-CA 3.41Å; I115-L118 WeakPolarHBondContact O-CB 3.45Å; I115-L118 PolarHBondContact O-N 3.29Å; E116-L118 VanDerWaalsContact C-N 3.31Å; E116-L118 PolarHBondContact O-N 2.97Å; L118-E120 VanDerWaalsContact C-N 3.31Å; L118-W121 PolarHBondContact O-N 3.5Å; L118-E122 WeakPolarHBondContact O-CG 3.31Å; L118-E122 PolarHBondContact O-N 2.92Å
119L97.8Very high95.3Very high4 Ų470.4 Ų70.42%0.02131%0.307CS..Hα-helixtrans-62.2-41.7175.8-67.1-179.9000111V71 I115 E116 W121 E122 N123 W134 L136V71-L119 HydrophobicContact CG2-CD2 3.97Å; I115-L119 HydrophobicContact CG2-CD1 4.11Å; I115-L119 HydrophobicContact CG2-CG 4.22Å; I115-L119 WeakPolarHBondContact O-CG 3.43Å; I115-L119 PolarHBondContact O-N 3.36Å; E116-L119 PolarHBondContact O-N 3.33Å; L119-W121 VanDerWaalsContact C-N 3.32Å; L119-W121 PolarHBondContact O-N 2.85Å; L119-E122 PolarHBondContact O-N 3.22Å; L119-N123 WeakPolarHBondContact O-CB 3.36Å; L119-N123 PolarHBondContact O-N 3.44Å; L119-N123 PolarHBondContact O-ND2 2.89Å; L119-W134 HydrophobicContact CD2-CB 4.19Å; L119-W134 HydrophobicContact CD2-CE3 3.93Å; L119-L136 HydrophobicContact CD1-CB 4Å
120E97.6Very high95.6Very high88 Ų8869.4 Ų69.441%0.41131%0.305SS..Hα-helixtrans-60.5-42.2175.4-172.554.3-147.700112E116 L118 N123 N124E116-E120 WeakPolarHBondContact O-CB 3.4Å; E116-E120 PolarHBondContact O-N 3.19Å; L118-E120 VanDerWaalsContact C-N 3.31Å; E120-N123 PolarHBondContact O-N 3.2Å; E120-N124 PolarHBondContact O-N 3.44Å; E120-N124 VanDerWaalsContact O-N 3.12Å; E120-N124 PolarHBondContact O-ND2 3.46Å; E120-N124 PolarHBondContact OE1-ND2 3.39Å
121W97.6Very high95.8Very high134 Ų13462.7 Ų62.751%0.50829%0.285SS..Hα-helixtrans-64.2-42.9174.5-179.785.8000112.4K117 L118 L119 N123 R125K117-W121 PolarHBondContact O-N 3.43Å; L118-W121 PolarHBondContact O-N 3.5Å; L119-W121 VanDerWaalsContact C-N 3.32Å; L119-W121 PolarHBondContact O-N 2.85Å; W121-N123 VanDerWaalsContact C-N 3.34Å; W121-R125 WeakPolarHBondContact O-CB 3.42Å; W121-R125 PolarHBondContact O-N 3.49Å
122E97.6Very high96Very high1 Ų162.7 Ų62.71%0.00529%0.285CS..Hα-helixtrans-62.5-40.2175.8-74-71.3168.200112.4S67 R70 L118 L119 R125 L126 Y127S67-E122 VanDerWaalsContact OG-CD 3.22Å; S67-E122 PolarHBondContact OG-OE2 3.02Å; R70-E122 VanDerWaalsContact CD-OE1 3.29Å; R70-E122 WeakPolarHBondContact CD-OE1 3.25Å; R70-E122 IonicContact CZ-OE1 3.49Å; R70-E122 IonicContact NE-OE1 3.69Å; R70-E122 IonicContact NH1-OE1 2.68Å; R70-E122 PolarHBondContact NH1-OE1 3.22Å; R70-E122 IonicContact NH1-OE2 2.71Å; L118-E122 WeakPolarHBondContact O-CG 3.31Å; L118-E122 PolarHBondContact O-N 2.92Å; L119-E122 PolarHBondContact O-N 3.22Å; E122-R125 PolarHBondContact O-N 3.05Å; E122-R125 IonicContact OE1-NH2 3.72Å; E122-R125 IonicContact OE2-CZ 3.36Å; E122-R125 IonicContact OE2-NE 3.7Å; E122-R125 PolarHBondContact OE2-NE 3.48Å; E122-R125 IonicContact OE2-NH2 3.06Å; E122-R125 PolarHBondContact OE2-NH2 3.13Å; E122-L126 PolarHBondContact O-N 2.93Å; E122-Y127 HydrophobicContact CB-CD2 4.04Å; E122-Y127 HydrophobicContact CB-CE2 4.01Å; E122-Y127 PolarHBondContact O-N 2.97Å
123N97.8Very high96.1Very high0 Ų061.9 Ų61.90%028%0.283CS..Hα-helixtrans-59.6-54.8177.4-75.7-27.1000111.6L119 E120 W121 R125 L126 Y127 H128 H133 W134L119-N123 WeakPolarHBondContact O-CB 3.36Å; L119-N123 PolarHBondContact O-N 3.44Å; L119-N123 PolarHBondContact O-ND2 2.89Å; E120-N123 PolarHBondContact O-N 3.2Å; W121-N123 VanDerWaalsContact C-N 3.34Å; N123-R125 VanDerWaalsContact C-N 3.28Å; N123-R125 PolarHBondContact O-N 2.84Å; N123-L126 PolarHBondContact O-N 3.32Å; N123-Y127 PolarHBondContact O-N 3.45Å; N123-Y127 VanDerWaalsContact O-N 3.15Å; N123-H128 WeakPolarHBondContact O-CB 3.34Å; N123-H128 PolarHBondContact O-N 3.18Å; N123-H133 PolarHBondContact ND2-CE1 3.48Å; N123-H133 VanDerWaalsContact ND2-CE1 3.32Å; N123-H133 PolarHBondContact ND2-ND1 3.01Å; N123-W134 PolarHBondContact ND2-O 2.9Å; N123-W134 WeakPolarHBondContact OD1-CB 3.31Å; N123-W134 PolarHBondContact OD1-N 3.39Å
124N97.2Very high96.3Very high94 Ų9454.1 Ų54.150%0.50325%0.254SS..Hα-helixtrans-63.5-34.7179.4-71.2-54.9000112.3E120 H128E120-N124 PolarHBondContact O-N 3.44Å; E120-N124 VanDerWaalsContact O-N 3.12Å; E120-N124 PolarHBondContact O-ND2 3.46Å; E120-N124 PolarHBondContact OE1-ND2 3.39Å; N124-H128 PolarHBondContact OD1-ND1 3.29Å
125R96.8Very high96.5Very high77 Ų7756.2 Ų56.229%0.29125%0.254SS..Hα-helixtrans-67.4-48.1179.3-179.2177.178.4115.79.7112.4E63 R70 W121 E122 N123 K129E63-R125 IonicContact OE2-NH2 3.45Å; E63-R125 PolarHBondContact OE2-NH2 2.94Å; R70-R125 VanDerWaalsContact NH1-NH2 3.13Å; W121-R125 WeakPolarHBondContact O-CB 3.42Å; W121-R125 PolarHBondContact O-N 3.49Å; E122-R125 PolarHBondContact O-N 3.05Å; E122-R125 IonicContact OE1-NH2 3.72Å; E122-R125 IonicContact OE2-CZ 3.36Å; E122-R125 IonicContact OE2-NE 3.7Å; E122-R125 PolarHBondContact OE2-NE 3.48Å; E122-R125 IonicContact OE2-NH2 3.06Å; E122-R125 PolarHBondContact OE2-NH2 3.13Å; N123-R125 VanDerWaalsContact C-N 3.28Å; N123-R125 PolarHBondContact O-N 2.84Å; R125-K129 PolarHBondContact O-NZ 3.1Å
126L96.1Very high96.5Very high35 Ų3557.2 Ų57.218%0.18326%0.26CS..THydrogen-bonded Turntrans-137.3-58-165.917964.7000113.3E63 E122 N123 H128 K129 L130E63-L126 HydrophobicContact CB-CD2 3.75Å; E63-L126 HydrophobicContact CG-CD2 3.85Å; E122-L126 PolarHBondContact O-N 2.93Å; N123-L126 PolarHBondContact O-N 3.32Å; L126-H128 PolarHBondContact O-N 3.02Å; L126-K129 WeakPolarHBondContact O-CB 3.32Å; L126-K129 PolarHBondContact O-N 3.33Å; L126-L130 HydrophobicContact CD1-CD1 3.96Å; L126-L130 HydrophobicContact CD1-CG 4.32Å; L126-L130 HydrophobicContact CD2-CD1 4.41Å; L126-L130 HydrophobicContact CG-CD1 3.9Å; L126-L130 PolarHBondContact O-N 3.18Å
127Y97Very high96.5Very high0 Ų054 Ų540%025%0.247CC..G310 helixtrans-67.2-33.7-161.6-67-74.6000113.7V59 S67 E122 N123 K129 L130 C131 L132 W134V59-Y127 HydrophobicContact CG2-CE1 3.94Å; S67-Y127 WeakPolarHBondContact CB-OH 3.41Å; S67-Y127 WeakPolarHBondContact OG-CE2 3.35Å; S67-Y127 PolarHBondContact OG-OH 3.02Å; E122-Y127 HydrophobicContact CB-CD2 4.04Å; E122-Y127 HydrophobicContact CB-CE2 4.01Å; E122-Y127 PolarHBondContact O-N 2.97Å; N123-Y127 PolarHBondContact O-N 3.45Å; N123-Y127 VanDerWaalsContact O-N 3.15Å; Y127-K129 VanDerWaalsContact C-N 3.26Å; Y127-K129 PolarHBondContact O-N 3.03Å; Y127-L130 CarbonylContact O-C 3.54Å; Y127-L130 WeakPolarHBondContact O-CA 3.44Å; Y127-L130 WeakPolarHBondContact O-CB 3.39Å; Y127-L130 PolarHBondContact O-N 3.23Å; Y127-C131 PolarHBondContact O-N 2.94Å; Y127-L132 CarbonylContact C-O 3.54Å; Y127-L132 WeakPolarHBondContact CB-O 3.44Å; Y127-L132 HydrophobicContact CD1-CB 4.17Å; Y127-L132 HydrophobicContact CD1-CD1 4.02Å; Y127-L132 WeakPolarHBondContact O-CA 3.39Å; Y127-L132 PolarHBondContact O-N 3.04Å; Y127-W134 AromaticContact CD1-CD1 3.73Å; Y127-W134 AromaticContact CD1-CE2 3.93Å; Y127-W134 HydrophobicContact CD1-CZ2 4.41Å; Y127-W134 AromaticContact CD1-NE1 3.13Å; Y127-W134 AromaticContact CD2-CD1 3.8Å; Y127-W134 HydrophobicContact CD2-CD2 4.43Å; Y127-W134 HydrophobicContact CD2-CG 4.23Å; Y127-W134 AromaticContact CD2-NE1 3.77Å; Y127-W134 AromaticContact CE1-CE2 3.48Å; Y127-W134 VanDerWaalsContact CE1-CE2 3.48Å; Y127-W134 AromaticContact CE1-CZ2 3.54Å; Y127-W134 HydrophobicContact CE1-CZ2 3.54Å; Y127-W134 AromaticContact CE1-NE1 3.16Å; Y127-W134 HydrophobicContact CE2-CD2 4.18Å; Y127-W134 AromaticContact CE2-CE2 3.79Å; Y127-W134 HydrophobicContact CE2-CG 4.45Å; Y127-W134 HydrophobicContact CE2-CZ2 4.07Å; Y127-W134 AromaticContact CE2-NE1 3.83Å; Y127-W134 AromaticContact CG-CD1 3.55Å; Y127-W134 HydrophobicContact CG-CG 4.4Å; Y127-W134 AromaticContact CG-NE1 3.45Å; Y127-W134 AromaticContact CZ-CE2 3.43Å; Y127-W134 VanDerWaalsContact CZ-CE2 3.43Å; Y127-W134 AromaticContact CZ-CZ2 3.35Å; Y127-W134 AromaticContact CZ-NE1 3.55Å; Y127-W134 VanDerWaalsContact OH-CZ2 3.26Å; Y127-W134 WeakPolarHBondContact OH-CZ2 3.41Å
128H95.3Very high96.4Very high65 Ų6551.6 Ų51.630%0.30124%0.237SC..G310 helixtrans-61-36.1174.9-70.5160.5000112.3N123 N124 L126 L130 C131 L132 H133N123-H128 WeakPolarHBondContact O-CB 3.34Å; N123-H128 PolarHBondContact O-N 3.18Å; N124-H128 PolarHBondContact OD1-ND1 3.29Å; L126-H128 PolarHBondContact O-N 3.02Å; H128-L130 PolarHBondContact O-N 3.15Å; H128-C131 PolarHBondContact O-N 3.38Å; H128-C131 VanDerWaalsContact O-N 3.07Å; H128-L132 PolarHBondContact N-O 3.34Å; H128-H133 AromaticContact CD2-ND1 3.97Å; H128-H133 AromaticContact NE2-ND1 3.28Å; H128-H133 PolarHBondContact NE2-ND1 2.75Å
129K93.9Very high96.2Very high162 Ų16255.1 Ų55.170%0.70425%0.247SC*.G310 helixtrans-66.9-22.2175-56173.8-177.6163.40112.6R125 L126 Y127R125-K129 PolarHBondContact O-NZ 3.1Å; L126-K129 WeakPolarHBondContact O-CB 3.32Å; L126-K129 PolarHBondContact O-N 3.33Å; Y127-K129 VanDerWaalsContact C-N 3.26Å; Y127-K129 PolarHBondContact O-N 3.03Å
130L94.2Very high95.9Very high58 Ų5860.6 Ų60.630%0.30427%0.271SS..G310 helixtrans-94.47.5176.7-57.2178.3000112.4V59 L126 Y127 H128 L132V59-L130 HydrophobicContact CB-CD1 3.86Å; V59-L130 HydrophobicContact CG2-CD1 3.83Å; L126-L130 HydrophobicContact CD1-CD1 3.96Å; L126-L130 HydrophobicContact CD1-CG 4.32Å; L126-L130 HydrophobicContact CD2-CD1 4.41Å; L126-L130 HydrophobicContact CG-CD1 3.9Å; L126-L130 PolarHBondContact O-N 3.18Å; Y127-L130 CarbonylContact O-C 3.54Å; Y127-L130 WeakPolarHBondContact O-CA 3.44Å; Y127-L130 WeakPolarHBondContact O-CB 3.39Å; Y127-L130 PolarHBondContact O-N 3.23Å; H128-L130 PolarHBondContact O-N 3.15Å; L130-L132 VanDerWaalsContact C-N 3.26Å; L130-L132 HydrophobicContact CB-CD1 4.14Å; L130-L132 HydrophobicContact CB-CG 4.25Å; L130-L132 PolarHBondContact O-N 3.39Å
131C93.7Very high95.5Very high35 Ų3557.2 Ų57.224%0.23626%0.257CS..THydrogen-bonded Turntrans56.240.2-170.9-50.40000112.2Y127 H128 L156 K158Y127-C131 PolarHBondContact O-N 2.94Å; H128-C131 PolarHBondContact O-N 3.38Å; H128-C131 VanDerWaalsContact O-N 3.07Å; C131-L156 HydrophobicContact CB-CB 4.24Å; C131-L156 PolarHBondContact O-N 3.05Å; C131-K158 HydrophobicContact CB-CG 4.32Å
132L95.3Very high94.9Very high0 Ų058 Ų580%027%0.266CS..EExtended strand (participates in β ladder)trans-122.8146.3176.9-63.6174000109.9L55 K58 V59 Y127 H128 L130 I153 E154 F155L55-L132 HydrophobicContact CD2-CD1 4.49Å; L55-L132 HydrophobicContact CD2-CD2 4.44Å; K58-L132 HydrophobicContact CB-CD1 4.45Å; V59-L132 HydrophobicContact CB-CD1 4.29Å; V59-L132 HydrophobicContact CG1-CD1 4.27Å; Y127-L132 CarbonylContact C-O 3.54Å; Y127-L132 WeakPolarHBondContact CB-O 3.44Å; Y127-L132 HydrophobicContact CD1-CB 4.17Å; Y127-L132 HydrophobicContact CD1-CD1 4.02Å; Y127-L132 WeakPolarHBondContact O-CA 3.39Å; Y127-L132 PolarHBondContact O-N 3.04Å; H128-L132 PolarHBondContact N-O 3.34Å; L130-L132 VanDerWaalsContact C-N 3.26Å; L130-L132 HydrophobicContact CB-CD1 4.14Å; L130-L132 HydrophobicContact CB-CG 4.25Å; L130-L132 PolarHBondContact O-N 3.39Å; L132-I153 HydrophobicContact CB-CG2 4.34Å; L132-I153 HydrophobicContact CD2-CG2 4.1Å; L132-E154 CarbonylContact C-O 3.58Å; L132-E154 VanDerWaalsContact CA-O 3.27Å; L132-E154 WeakPolarHBondContact CA-O 3.46Å; L132-F155 HydrophobicContact CD2-CD1 3.53Å; L132-F155 HydrophobicContact CD2-CE1 3.71Å; L132-F155 HydrophobicContact CD2-CG 4.3Å
133H96.3Very high94.3Very high41 Ų4164 Ų6419%0.1930%0.303CS..EExtended strand (participates in β ladder)trans-134.1117175.5-177.867.4000111N123 H128 I153 E154 L156N123-H133 PolarHBondContact ND2-CE1 3.48Å; N123-H133 VanDerWaalsContact ND2-CE1 3.32Å; N123-H133 PolarHBondContact ND2-ND1 3.01Å; H128-H133 AromaticContact CD2-ND1 3.97Å; H128-H133 AromaticContact NE2-ND1 3.28Å; H128-H133 PolarHBondContact NE2-ND1 2.75Å; H133-I153 WeakPolarHBondContact O-CA 3.37Å; H133-E154 HydrophobicContact CB-CB 4.34Å; H133-E154 IonicContact CD2-OE2 2.74Å; H133-E154 PolarHBondContact N-O 3.11Å; H133-E154 PolarHBondContact O-N 3.32Å; H133-L156 HydrophobicContact CB-CD1 4.3Å; H133-L156 HydrophobicContact CB-CD2 3.87Å; H133-L156 HydrophobicContact CB-CG 4.04Å
134W97.6Very high93.6Very high2 Ų266.6 Ų66.61%0.00832%0.317CS..EExtended strand (participates in β ladder)trans-93128.7178.5-71.846.5000110.3F64 I68 L119 N123 Y127 I151 L152 I153F64-W134 AromaticContact CD2-CH2 3.42Å; F64-W134 HydrophobicContact CD2-CH2 3.42Å; F64-W134 VanDerWaalsContact CD2-CH2 3.42Å; F64-W134 AromaticContact CD2-CZ2 3.51Å; F64-W134 HydrophobicContact CD2-CZ2 3.51Å; F64-W134 AromaticContact CE2-CH2 3.48Å; F64-W134 HydrophobicContact CE2-CH2 3.48Å; F64-W134 VanDerWaalsContact CE2-CH2 3.48Å; F64-W134 AromaticContact CE2-CZ2 3.83Å; F64-W134 HydrophobicContact CE2-CZ2 3.83Å; F64-W134 HydrophobicContact CE2-CZ3 4.5Å; F64-W134 HydrophobicContact CG-CH2 4.31Å; F64-W134 HydrophobicContact CZ-CH2 4.41Å; I68-W134 HydrophobicContact CD1-CH2 4.01Å; I68-W134 HydrophobicContact CD1-CZ3 3.57Å; I68-W134 HydrophobicContact CG1-CH2 3.93Å; I68-W134 HydrophobicContact CG1-CZ3 3.93Å; L119-W134 HydrophobicContact CD2-CB 4.19Å; L119-W134 HydrophobicContact CD2-CE3 3.93Å; N123-W134 PolarHBondContact ND2-O 2.9Å; N123-W134 WeakPolarHBondContact OD1-CB 3.31Å; N123-W134 PolarHBondContact OD1-N 3.39Å; Y127-W134 AromaticContact CD1-CD1 3.73Å; Y127-W134 AromaticContact CD1-CE2 3.93Å; Y127-W134 HydrophobicContact CD1-CZ2 4.41Å; Y127-W134 AromaticContact CD1-NE1 3.13Å; Y127-W134 AromaticContact CD2-CD1 3.8Å; Y127-W134 HydrophobicContact CD2-CD2 4.43Å; Y127-W134 HydrophobicContact CD2-CG 4.23Å; Y127-W134 AromaticContact CD2-NE1 3.77Å; Y127-W134 AromaticContact CE1-CE2 3.48Å; Y127-W134 VanDerWaalsContact CE1-CE2 3.48Å; Y127-W134 AromaticContact CE1-CZ2 3.54Å; Y127-W134 HydrophobicContact CE1-CZ2 3.54Å; Y127-W134 AromaticContact CE1-NE1 3.16Å; Y127-W134 HydrophobicContact CE2-CD2 4.18Å; Y127-W134 AromaticContact CE2-CE2 3.79Å; Y127-W134 HydrophobicContact CE2-CG 4.45Å; Y127-W134 HydrophobicContact CE2-CZ2 4.07Å; Y127-W134 AromaticContact CE2-NE1 3.83Å; Y127-W134 AromaticContact CG-CD1 3.55Å; Y127-W134 HydrophobicContact CG-CG 4.4Å; Y127-W134 AromaticContact CG-NE1 3.45Å; Y127-W134 AromaticContact CZ-CE2 3.43Å; Y127-W134 VanDerWaalsContact CZ-CE2 3.43Å; Y127-W134 AromaticContact CZ-CZ2 3.35Å; Y127-W134 AromaticContact CZ-NE1 3.55Å; Y127-W134 VanDerWaalsContact OH-CZ2 3.26Å; Y127-W134 WeakPolarHBondContact OH-CZ2 3.41Å; W134-I151 HydrophobicContact CD2-CG2 4.3Å; W134-I151 HydrophobicContact CE3-CG2 3.64Å; W134-I151 HydrophobicContact CZ3-CG2 4.23Å; W134-L152 CarbonylContact C-O 3.56Å; W134-L152 VanDerWaalsContact CA-O 3.3Å; W134-L152 WeakPolarHBondContact CA-O 3.39Å; W134-I153 HydrophobicContact CD2-CD1 4.06Å; W134-I153 HydrophobicContact CD2-CG1 3.8Å; W134-I153 VanDerWaalsContact CE2-CD1 3.49Å; W134-I153 HydrophobicContact CE3-CG1 4.41Å; W134-I153 HydrophobicContact CG-CG1 4.03Å; W134-I153 HydrophobicContact CH2-CD1 3.97Å; W134-I153 HydrophobicContact CZ2-CD1 3.45Å; W134-I153 VanDerWaalsContact CZ2-CD1 3.45Å; W134-I153 HydrophobicContact CZ2-CG1 4.12Å; W134-I153 HydrophobicContact CZ3-CD1 4.46Å
135R97.2Very high93Very high95 Ų9568.7 Ų68.736%0.35833%0.328SS..EExtended strand (participates in β ladder)trans-140.314817565.9177.3-175.1140.8-7112.6I151 L152 E154R135-I151 WeakPolarHBondContact O-CA 3.38Å; R135-L152 HydrophobicContact CG-CB 3.95Å; R135-L152 PolarHBondContact N-O 3.49Å; R135-L152 PolarHBondContact O-N 3.48Å; R135-E154 WeakPolarHBondContact CD-OE2 3.22Å; R135-E154 IonicContact CZ-OE1 3.39Å; R135-E154 IonicContact CZ-OE2 2.64Å; R135-E154 IonicContact NE-OE1 3.42Å; R135-E154 PolarHBondContact NE-OE1 3.29Å; R135-E154 IonicContact NE-OE2 2.71Å; R135-E154 PolarHBondContact NE-OE2 3.11Å; R135-E154 VanDerWaalsContact NE-OE2 3.16Å; R135-E154 IonicContact NH2-OE1 3.62Å; R135-E154 PolarHBondContact NH2-OE1 2.9Å
136L97.1Very high92.5Very high22 Ų2271.1 Ų71.112%0.11534%0.344CS..EExtended strand (participates in β ladder)trans-81.9121.8170.3-170.669.3000108.4F47 R112 I115 E116 L119 Y149 I151F47-L136 HydrophobicContact CZ-CD1 4.11Å; R112-L136 HydrophobicContact CB-CD2 4.27Å; R112-L136 HydrophobicContact CG-CD2 4.43Å; I115-L136 HydrophobicContact CB-CD2 4.42Å; I115-L136 HydrophobicContact CG2-CD1 4.36Å; I115-L136 HydrophobicContact CG2-CD2 4.22Å; E116-L136 HydrophobicContact CG-CB 4.24Å; E116-L136 HydrophobicContact CG-CD2 4.33Å; L119-L136 HydrophobicContact CD1-CB 4Å; L136-Y149 HydrophobicContact CD1-CD1 4.42Å; L136-Y149 HydrophobicContact CD2-CD1 4.09Å; L136-Y149 HydrophobicContact CG-CD1 3.94Å; L136-I151 HydrophobicContact CD1-CG1 4.36Å
137S96Very high92.4Very high20 Ų2073.5 Ų73.514%0.1436%0.355CS..EExtended strand (participates in β ladder)trans-131.3153.3-178.3-170.30000111.5Y149 V150S137-Y149 CarbonylContact O-C 3.05Å; S137-Y149 WeakPolarHBondContact O-CA 3.45Å; S137-V150 PolarHBondContact N-O 3Å; S137-V150 PolarHBondContact O-N 3.13Å
138K94.5Very high92.2Very high114 Ų11474.8 Ų74.850%0.49636%0.362SS..EExtended strand (participates in β ladder)trans-97117.8177.6-164.1-178.7177-179.40108.7M147 E148 Y149K138-M147 HydrophobicContact CD-CB 4.24Å; K138-M147 HydrophobicContact CD-CE 4.25Å; K138-M147 HydrophobicContact CG-CB 4.07Å; K138-M147 HydrophobicContact CG-CE 3.84Å; K138-E148 CarbonylContact C-O 3.47Å; K138-E148 WeakPolarHBondContact CA-O 3.44Å; K138-Y149 HydrophobicContact CB-CD1 4.43Å; K138-Y149 HydrophobicContact CB-CE1 4.19Å
139R93.7Very high92.2Very high110 Ų11073 Ų7342%0.41535%0.352SS..EExtended strand (participates in β ladder)trans-125164179.5-68-66.6-170.3158.31.4110.6M147 E148 V150R139-M147 CarbonylContact O-C 3.49Å; R139-M147 WeakPolarHBondContact O-CA 3.44Å; R139-E148 PolarHBondContact N-O 3.5Å; R139-E148 PolarHBondContact O-N 2.8Å; R139-V150 HydrophobicContact CB-CG1 4.46Å; R139-V150 HydrophobicContact CB-CG2 3.93Å; R139-V150 HydrophobicContact CG-CG2 3.48Å; R139-V150 VanDerWaalsContact CG-CG2 3.48Å
140K92.1Very high92.4Very high119 Ų11965.3 Ų65.352%0.51732%0.319SS..EExtended strand (participates in β ladder)trans-75.1134.9171.2-170.7-179.8179-175.90108.5N145 M147K140-N145 WeakPolarHBondContact CE-OD1 3.47Å; K140-N145 PolarHBondContact NZ-OD1 3.36Å; K140-M147 HydrophobicContact CB-SD 4.29Å
141C87.8Confident92.5Very high18 Ų1862.6 Ų62.612%0.12230%0.304CS..  trans-64.4143.2174.9-164.40000110.2T143 N144 M146 E148C141-T143 VanDerWaalsContact C-N 3.31Å; C141-T143 PolarHBondContact SG-OG1 2.85Å; C141-T143 VanDerWaalsContact SG-OG1 3.39Å; C141-N144 VanDerWaalsContact CB-OD1 3.28Å; C141-N144 WeakPolarHBondContact CB-OD1 3.46Å; C141-M146 WeakPolarHBondContact CB-O 3.4Å; C141-M146 PolarHBondContact N-O 3.23Å; C141-E148 HydrophobicContact CB-CG 4.2Å; C141-E148 PolarHBondContact SG-OE2 3.24Å; C141-E148 VanDerWaalsContact SG-OE2 3.33Å
142E85.1Confident92.7Very high150 Ų15060.9 Ų60.970%0.70129%0.293SS*.SBendtrans-67.1-32.9175.9-91.4160.1-158.600112.4R33R33-E142 VanDerWaalsContact CZ-CG 3.44Å; R33-E142 IonicContact CZ-OE1 3.48Å; R33-E142 IonicContact CZ-OE2 3.16Å; R33-E142 VanDerWaalsContact NE-CD 3.32Å; R33-E142 IonicContact NE-OE1 3.92Å; R33-E142 PolarHBondContact NE-OE1 3.12Å; R33-E142 IonicContact NE-OE2 3Å; R33-E142 PolarHBondContact NE-OE2 3.09Å; R33-E142 VanDerWaalsContact NH1-N 3.16Å; R33-E142 IonicContact NH1-OE1 2.67Å; R33-E142 IonicContact NH1-OE2 3.63Å; R33-E142 IonicContact NH2-OE1 3.89Å; R33-E142 PolarHBondContact NH2-OE1 3.02Å; R33-E142 IonicContact NH2-OE2 2.65Å
143T84.7Confident92.8Very high127 Ų12760.9 Ų60.978%0.77929%0.293SS*.SBendtrans-94.4-16.3-171.558.30000114C141C141-T143 VanDerWaalsContact C-N 3.31Å; C141-T143 PolarHBondContact SG-OG1 2.85Å; C141-T143 VanDerWaalsContact SG-OG1 3.39Å
144N83.1Confident92.7Very high55 Ų5561.3 Ų61.329%0.29430%0.295SS..SBendtrans-150.8168.7-178.866.147.2000111.8C141 M146C141-N144 VanDerWaalsContact CB-OD1 3.28Å; C141-N144 WeakPolarHBondContact CB-OD1 3.46Å; N144-M146 WeakPolarHBondContact ND2-CE 3.41Å; N144-M146 PolarHBondContact O-N 3.41Å; N144-M146 WeakPolarHBondContact OD1-CA 3.39Å; N144-M146 WeakPolarHBondContact OD1-CB 3.24Å; N144-M146 WeakPolarHBondContact OD1-CG 3.4Å; N144-M146 PolarHBondContact OD1-N 2.92Å
145N85.1Confident92.4Very high138 Ų13862.6 Ų62.674%0.73830%0.301SS*.SBendtrans-78.99.4179-72-39.2000114.3K140K140-N145 WeakPolarHBondContact CE-OD1 3.47Å; K140-N145 PolarHBondContact NZ-OD1 3.36Å
146M87.8Confident92.1Very high127 Ų12761 Ų6163%0.62630%0.299SS*.SBendtrans-80.9157177.5-53.7-169.5-8100110.9C141 N144C141-M146 WeakPolarHBondContact CB-O 3.4Å; C141-M146 PolarHBondContact N-O 3.23Å; N144-M146 WeakPolarHBondContact ND2-CE 3.41Å; N144-M146 PolarHBondContact O-N 3.41Å; N144-M146 WeakPolarHBondContact OD1-CA 3.39Å; N144-M146 WeakPolarHBondContact OD1-CB 3.24Å; N144-M146 WeakPolarHBondContact OD1-CG 3.4Å; N144-M146 PolarHBondContact OD1-N 2.92Å
147M92.2Very high91.3Very high85 Ų8562.4 Ų62.442%0.41931%0.309SS..EExtended strand (participates in β ladder)trans-91137.8171.9-60.3-65.6-66.700110G42 K138 R139 K140G42-M147 WeakPolarHBondContact CA-O 3.29Å; K138-M147 HydrophobicContact CD-CB 4.24Å; K138-M147 HydrophobicContact CD-CE 4.25Å; K138-M147 HydrophobicContact CG-CB 4.07Å; K138-M147 HydrophobicContact CG-CE 3.84Å; R139-M147 CarbonylContact O-C 3.49Å; R139-M147 WeakPolarHBondContact O-CA 3.44Å; K140-M147 HydrophobicContact CB-SD 4.29Å
148E94.3Very high90.1Very high28 Ų2867.9 Ų67.913%0.13133%0.331CS..EExtended strand (participates in β ladder)trans-125.2155.5177.462.9178.8-179.200111.2R33 G42 K138 R139 C141 V150R33-E148 IonicContact CZ-OE1 2.94Å; R33-E148 IonicContact NH1-OE1 3.8Å; R33-E148 PolarHBondContact NH1-OE1 3.43Å; G42-E148 CarbonylContact O-C 3.54Å; G42-E148 VanDerWaalsContact O-CA 3.31Å; G42-E148 WeakPolarHBondContact O-CA 3.42Å; K138-E148 CarbonylContact C-O 3.47Å; K138-E148 WeakPolarHBondContact CA-O 3.44Å; R139-E148 PolarHBondContact N-O 3.5Å; R139-E148 PolarHBondContact O-N 2.8Å; C141-E148 HydrophobicContact CB-CG 4.2Å; C141-E148 PolarHBondContact SG-OE2 3.24Å; C141-E148 VanDerWaalsContact SG-OE2 3.33Å; E148-V150 HydrophobicContact CG-CG1 3.95Å
149Y95.4Very high88.7Confident28 Ų2868.5 Ų68.511%0.1134%0.344CS..EExtended strand (participates in β ladder)trans-89123.3168.5-76.3-80.7000109.3F41 G42 L43 F47 R112 L136 S137 K138F41-Y149 WeakPolarHBondContact O-CE2 3.49Å; G42-Y149 PolarHBondContact O-N 3.1Å; L43-Y149 HydrophobicContact CB-CD2 4.05Å; L43-Y149 HydrophobicContact CD1-CG 4.33Å; F47-Y149 WeakPolarHBondContact CE1-O 3.18Å; R112-Y149 VanDerWaalsContact CD-CZ 3.41Å; R112-Y149 WeakPolarHBondContact CD-OH 3.32Å; R112-Y149 PolarHBondContact NH1-OH 3.43Å; L136-Y149 HydrophobicContact CD1-CD1 4.42Å; L136-Y149 HydrophobicContact CD2-CD1 4.09Å; L136-Y149 HydrophobicContact CG-CD1 3.94Å; S137-Y149 CarbonylContact O-C 3.05Å; S137-Y149 WeakPolarHBondContact O-CA 3.45Å; K138-Y149 HydrophobicContact CB-CD1 4.43Å; K138-Y149 HydrophobicContact CB-CE1 4.19Å
150V96.4Very high87.1Confident0 Ų066.3 Ų66.30%035%0.345CS..EExtended strand (participates in β ladder)trans-117.9155175-59.50000109.7V31 R33 S137 R139 E148 L152V31-V150 HydrophobicContact CG1-CB 3.85Å; V31-V150 HydrophobicContact CG1-CG1 4.06Å; V31-V150 HydrophobicContact CG1-CG2 3.91Å; R33-V150 HydrophobicContact CG-CG1 4.13Å; S137-V150 PolarHBondContact N-O 3Å; S137-V150 PolarHBondContact O-N 3.13Å; R139-V150 HydrophobicContact CB-CG1 4.46Å; R139-V150 HydrophobicContact CB-CG2 3.93Å; R139-V150 HydrophobicContact CG-CG2 3.48Å; R139-V150 VanDerWaalsContact CG-CG2 3.48Å; E148-V150 HydrophobicContact CG-CG1 3.95Å; V150-L152 HydrophobicContact CG2-CD2 3.87Å; V150-L152 HydrophobicContact CG2-CG 4.23Å
151I97.5Very high85.7Confident0 Ų067.8 Ų67.80%036%0.357CS..EExtended strand (participates in β ladder)trans-91.3122.1167.6-60169.6000106.8V32 F47 I68 V71 W134 R135 L136 I153V32-I151 HydrophobicContact CB-CB 4.2Å; V32-I151 PolarHBondContact N-O 3.28Å; V32-I151 PolarHBondContact O-N 3.2Å; F47-I151 HydrophobicContact CB-CD1 4.39Å; F47-I151 HydrophobicContact CD1-CD1 4.07Å; F47-I151 HydrophobicContact CD1-CG1 4.16Å; F47-I151 HydrophobicContact CD2-CD1 3.8Å; F47-I151 HydrophobicContact CD2-CG1 4.4Å; F47-I151 HydrophobicContact CE1-CD1 4.32Å; F47-I151 HydrophobicContact CE1-CG1 3.99Å; F47-I151 HydrophobicContact CE2-CD1 4.03Å; F47-I151 HydrophobicContact CE2-CG1 4.21Å; F47-I151 HydrophobicContact CG-CD1 3.81Å; F47-I151 HydrophobicContact CG-CG1 4.38Å; F47-I151 HydrophobicContact CZ-CD1 4.29Å; F47-I151 HydrophobicContact CZ-CG1 4Å; I68-I151 HydrophobicContact CD1-CD1 3.89Å; V71-I151 HydrophobicContact CG1-CD1 4.21Å; W134-I151 HydrophobicContact CD2-CG2 4.3Å; W134-I151 HydrophobicContact CE3-CG2 3.64Å; W134-I151 HydrophobicContact CZ3-CG2 4.23Å; R135-I151 WeakPolarHBondContact O-CA 3.38Å; L136-I151 HydrophobicContact CD1-CG1 4.36Å; I151-I153 HydrophobicContact CG2-CG1 4.49Å
152L97Very high84.4Confident0 Ų075.9 Ų75.90%039%0.39CS..EExtended strand (participates in β ladder)trans-96.8135.7171.7-61.3-179.7000108.8P29 V31 W134 R135 V150P29-L152 HydrophobicContact CB-CB 4.44Å; V31-L152 HydrophobicContact CB-CD2 4.35Å; V31-L152 HydrophobicContact CG1-CD2 4.21Å; V31-L152 HydrophobicContact CG2-CD2 3.78Å; W134-L152 CarbonylContact C-O 3.56Å; W134-L152 VanDerWaalsContact CA-O 3.3Å; W134-L152 WeakPolarHBondContact CA-O 3.39Å; R135-L152 HydrophobicContact CG-CB 3.95Å; R135-L152 PolarHBondContact N-O 3.49Å; R135-L152 PolarHBondContact O-N 3.48Å; V150-L152 HydrophobicContact CG2-CD2 3.87Å; V150-L152 HydrophobicContact CG2-CG 4.23Å
153I96.9Very high83Confident0 Ų076.5 Ų76.50%039%0.386CS..EExtended strand (participates in β ladder)trans-114.5102.2172.5-53.5171.8000106.5P29 V30 V32 L55 F64 L132 H133 W134 I151P29-I153 CarbonylContact C-O 3.58Å; P29-I153 VanDerWaalsContact CA-O 3.31Å; P29-I153 WeakPolarHBondContact CA-O 3.29Å; V30-I153 HydrophobicContact CB-CB 4.15Å; V30-I153 PolarHBondContact N-O 3.46Å; V30-I153 PolarHBondContact O-N 2.84Å; V32-I153 HydrophobicContact CG2-CD1 3.92Å; L55-I153 HydrophobicContact CD1-CD1 3.71Å; L55-I153 HydrophobicContact CD2-CG2 4.12Å; F64-I153 HydrophobicContact CD2-CD1 4.42Å; F64-I153 HydrophobicContact CE2-CD1 3.88Å; L132-I153 HydrophobicContact CB-CG2 4.34Å; L132-I153 HydrophobicContact CD2-CG2 4.1Å; H133-I153 WeakPolarHBondContact O-CA 3.37Å; W134-I153 HydrophobicContact CD2-CD1 4.06Å; W134-I153 HydrophobicContact CD2-CG1 3.8Å; W134-I153 VanDerWaalsContact CE2-CD1 3.49Å; W134-I153 HydrophobicContact CE3-CG1 4.41Å; W134-I153 HydrophobicContact CG-CG1 4.03Å; W134-I153 HydrophobicContact CH2-CD1 3.97Å; W134-I153 HydrophobicContact CZ2-CD1 3.45Å; W134-I153 VanDerWaalsContact CZ2-CD1 3.45Å; W134-I153 HydrophobicContact CZ2-CG1 4.12Å; W134-I153 HydrophobicContact CZ3-CD1 4.46Å; I151-I153 HydrophobicContact CG2-CG1 4.49Å
154E94.9Very high81.8Confident50 Ų5076 Ų7623%0.23439%0.385CS..EExtended strand (participates in β ladder)trans-89.7146.6-178.4-70.7172.9161.700110.3P29 L132 H133 R135P29-E154 HydrophobicContact CB-CG 3.88Å; L132-E154 CarbonylContact C-O 3.58Å; L132-E154 VanDerWaalsContact CA-O 3.27Å; L132-E154 WeakPolarHBondContact CA-O 3.46Å; H133-E154 HydrophobicContact CB-CB 4.34Å; H133-E154 IonicContact CD2-OE2 2.74Å; H133-E154 PolarHBondContact N-O 3.11Å; H133-E154 PolarHBondContact O-N 3.32Å; R135-E154 WeakPolarHBondContact CD-OE2 3.22Å; R135-E154 IonicContact CZ-OE1 3.39Å; R135-E154 IonicContact CZ-OE2 2.64Å; R135-E154 IonicContact NE-OE1 3.42Å; R135-E154 PolarHBondContact NE-OE1 3.29Å; R135-E154 IonicContact NE-OE2 2.71Å; R135-E154 PolarHBondContact NE-OE2 3.11Å; R135-E154 VanDerWaalsContact NE-OE2 3.16Å; R135-E154 IonicContact NH2-OE1 3.62Å; R135-E154 PolarHBondContact NH2-OE1 2.9Å
155F92.5Very high80.8Confident29 Ų2984.8 Ų84.813%0.12743%0.432CS..EExtended strand (participates in β ladder)trans-93.2114.9174.6-61.9-89.5000108P27 V30 L55 K58 L132P27-F155 HydrophobicContact CB-CD2 4.19Å; P27-F155 HydrophobicContact CG-CB 3.66Å; P27-F155 HydrophobicContact CG-CD1 4.36Å; P27-F155 HydrophobicContact CG-CD2 3.56Å; P27-F155 HydrophobicContact CG-CE2 4.25Å; P27-F155 HydrophobicContact CG-CG 3.6Å; V30-F155 HydrophobicContact CG2-CE2 3.96Å; V30-F155 HydrophobicContact CG2-CZ 3.9Å; L55-F155 HydrophobicContact CD2-CE1 4.44Å; L55-F155 HydrophobicContact CD2-CZ 4.27Å; K58-F155 HydrophobicContact CG-CE1 4.47Å; L132-F155 HydrophobicContact CD2-CD1 3.53Å; L132-F155 HydrophobicContact CD2-CE1 3.71Å; L132-F155 HydrophobicContact CD2-CG 4.3Å
156L89.9Confident80.6Confident60 Ų6082.2 Ų82.231%0.31442%0.416SS..PPolyproline II helixtrans-71.3140.3175.1-63.9176.4000109.2C131 H133 K158C131-L156 HydrophobicContact CB-CB 4.24Å; C131-L156 PolarHBondContact O-N 3.05Å; H133-L156 HydrophobicContact CB-CD1 4.3Å; H133-L156 HydrophobicContact CB-CD2 3.87Å; H133-L156 HydrophobicContact CB-CG 4.04Å; L156-K158 PolarHBondContact O-N 3.18Å
157P81.1Confident80.3Confident52 Ų5279.8 Ų79.834%0.33841%0.405SS..PPolyproline II helixtrans-59.5136.4178.226.4-33.8000109.6L22L22-P157 HydrophobicContact CB-CB 3.77Å; L22-P157 HydrophobicContact CB-CG 4.49Å; L22-P157 HydrophobicContact CD1-CB 4.47Å
158K70.5Confident79.6Confident136 Ų13679.5 Ų79.559%0.59141%0.405SS*.PPolyproline II helixtrans-88.3134.4168.8-68.7-171.9175-166.20107.6C131 L156 P160C131-K158 HydrophobicContact CB-CG 4.32Å; L156-K158 PolarHBondContact O-N 3.18Å; K158-P160 WeakPolarHBondContact O-CD 3.22Å
159T65Low78.7Confident127 Ų12782.5 Ų82.578%0.77942%0.421SS*.PPolyproline II helixtrans-53.1124.2162.760000107.9I161T159-I161 PolarHBondContact O-N 3.19Å
160P60.4Low77.7Confident64 Ų6485.9 Ų85.942%0.41644%0.44SS..  trans-67.5104.9-17925.9-32.4000109.1K158 F162 R163K158-P160 WeakPolarHBondContact O-CD 3.22Å; P160-F162 PolarHBondContact O-N 3.36Å; P160-R163 PolarHBondContact O-N 3.39Å; P160-R163 VanDerWaalsContact O-N 3.16Å
161I61.2Low76.4Confident150 Ų15091.7 Ų91.777%0.76947%0.47SS*.THydrogen-bonded Turntrans-60.5-6.5177.756.5168.8000114.5T159T159-I161 PolarHBondContact O-N 3.19Å
162F60.5Low74.9Confident188 Ų18898.2 Ų98.283%0.82550%0.503SS*.THydrogen-bonded Turntrans-95.93.2179.6-66.8-72.1000113.5P160 P164P160-F162 PolarHBondContact O-N 3.36Å; F162-P164 WeakPolarHBondContact O-CD 3.47Å
163R55.6Low73.2Confident163 Ų163105.8 Ų105.862%0.61554%0.542SS*.SBendtrans-74.9119.2167.1-129.3178.4-175135.8-3107.2P160P160-R163 PolarHBondContact O-N 3.39Å; P160-R163 VanDerWaalsContact O-N 3.16Å
164P60.9Low71.3Confident116 Ų116114.6 Ų114.675%0.75359%0.587SS**  trans-61.3140.5165.127.4-30.8000108.1F162F162-P164 WeakPolarHBondContact O-CD 3.47Å
165D62.6Low69.1Low240 Ų240120.5 Ų120.5100%1.28362%0.619SS**  trans-54.70167.2-63.6-33.7000111.1

Retrieved 165 of 165 residues in 642.9 ms (Link to these results)