A0A087Y0B1_POEFO Loading...

Link domain-containing protein

AlphaFold DB , UniProt , Accession A0A087Y0B1, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 277 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
1M52.8Low56.8Low221 Ų221110.5 Ų110.5100%1.08958%0.583SS**  0121.40-92.2130.570.500107.8
2N52Low56.6Low70 Ų70110.7 Ų110.737%0.37458%0.584SS.*  cis-166.236.521.7-89.3-22.4000112.3I4 W5 V6N2-I4 VanDerWaalsContact C-N 3.34Å; N2-W5 HydrophobicContact CB-CB 3.91Å; N2-W5 HydrophobicContact CB-CE3 4.04Å; N2-W5 VanDerWaalsContact CG-CE3 3.41Å; N2-W5 PolarHBondContact O-N 2.73Å; N2-V6 VanDerWaalsContact O-CG2 3.29Å; N2-V6 WeakPolarHBondContact O-CG2 3.29Å; N2-V6 PolarHBondContact O-N 3.13Å
3I56.2Low56.4Low142 Ų142106.2 Ų106.273%0.72857%0.573SS**Hα-helixtrans-66.1-38.7175-86.4161.3000111.6W5 V6 C7I3-W5 VanDerWaalsContact C-N 3.28Å; I3-W5 PolarHBondContact O-N 3.1Å; I3-V6 PolarHBondContact O-N 3.33Å; I3-C7 PolarHBondContact O-N 3.01Å; I3-C7 PolarHBondContact O-SG 3.33Å; I3-C7 VanDerWaalsContact O-SG 3.33Å
4I61.9Low56Low132 Ų132109 Ų10968%0.67758%0.577SS**Hα-helixtrans-63.3-37.2173.8-62.8166.8000110.5N2 C7 I8N2-I4 VanDerWaalsContact C-N 3.34Å; I4-C7 PolarHBondContact O-N 3.46Å; I4-I8 HydrophobicContact CG2-CD1 3.72Å; I4-I8 WeakPolarHBondContact O-CB 3.42Å; I4-I8 WeakPolarHBondContact O-CD1 3.3Å; I4-I8 WeakPolarHBondContact O-CG1 3.4Å; I4-I8 PolarHBondContact O-N 3.41Å
5W54.2Low55.5Low163 Ų163107.1 Ų107.162%0.61758%0.576SS**Hα-helixtrans-69.4-38.8177.2-16227.4000111.9N2 I3 I8 S9N2-W5 HydrophobicContact CB-CB 3.91Å; N2-W5 HydrophobicContact CB-CE3 4.04Å; N2-W5 VanDerWaalsContact CG-CE3 3.41Å; N2-W5 PolarHBondContact O-N 2.73Å; I3-W5 VanDerWaalsContact C-N 3.28Å; I3-W5 PolarHBondContact O-N 3.1Å; W5-I8 PolarHBondContact O-N 3.41Å; W5-S9 WeakPolarHBondContact O-CB 3.48Å; W5-S9 PolarHBondContact O-N 3.16Å; W5-S9 PolarHBondContact O-OG 3.47Å
6V58.4Low54.9Low97 Ų97105.7 Ų105.759%0.58858%0.577SS**Hα-helixtrans-64.9-39.8175.8172.90000111.6N2 I3 S10N2-V6 VanDerWaalsContact O-CG2 3.29Å; N2-V6 WeakPolarHBondContact O-CG2 3.29Å; N2-V6 PolarHBondContact O-N 3.13Å; I3-V6 PolarHBondContact O-N 3.33Å; V6-S10 VanDerWaalsContact O-CB 3.23Å; V6-S10 WeakPolarHBondContact O-CB 3.41Å; V6-S10 PolarHBondContact O-N 3.03Å
7C55.5Low54.7Low69 Ų69105.5 Ų105.547%0.46658%0.58SS.*Hα-helixtrans-67.4-38.8175.5-65.50000112.3I3 I4 S10 L11I3-C7 PolarHBondContact O-N 3.01Å; I3-C7 PolarHBondContact O-SG 3.33Å; I3-C7 VanDerWaalsContact O-SG 3.33Å; I4-C7 PolarHBondContact O-N 3.46Å; C7-S10 PolarHBondContact O-N 3.33Å; C7-L11 WeakPolarHBondContact O-CB 3.49Å; C7-L11 WeakPolarHBondContact O-CD1 3.28Å; C7-L11 WeakPolarHBondContact O-CG 3.45Å; C7-L11 PolarHBondContact O-N 3.49Å
8I60.5Low54.3Low84 Ų84107.2 Ų107.243%0.43158%0.581SS.*Hα-helixtrans-69.1-42.1176.7-67.7166000110.8I4 W5 S10 L11 L12I4-I8 HydrophobicContact CG2-CD1 3.72Å; I4-I8 WeakPolarHBondContact O-CB 3.42Å; I4-I8 WeakPolarHBondContact O-CD1 3.3Å; I4-I8 WeakPolarHBondContact O-CG1 3.4Å; I4-I8 PolarHBondContact O-N 3.41Å; W5-I8 PolarHBondContact O-N 3.41Å; I8-S10 VanDerWaalsContact C-N 3.31Å; I8-S10 PolarHBondContact O-N 3.42Å; I8-L11 PolarHBondContact O-N 2.97Å; I8-L12 HydrophobicContact CG2-CD1 3.92Å; I8-L12 WeakPolarHBondContact O-CB 3.49Å; I8-L12 VanDerWaalsContact O-CG 3.25Å; I8-L12 WeakPolarHBondContact O-CG 3.31Å; I8-L12 PolarHBondContact O-N 3.29Å
9S59.3Low53.7Low61 Ų61107.3 Ų107.343%0.42759%0.59SS.*Hα-helixtrans-64.3-35.4174.3-61.40000112.4W5 A13W5-S9 WeakPolarHBondContact O-CB 3.48Å; W5-S9 PolarHBondContact O-N 3.16Å; W5-S9 PolarHBondContact O-OG 3.47Å; S9-A13 PolarHBondContact O-N 3.25Å; S9-A13 VanDerWaalsContact O-N 3.12Å
10S58.6Low53.2Low55 Ų55109.8 Ų109.839%0.38560%0.603SS.*Hα-helixtrans-70.7-45.3175.9-166.70000111.6V6 C7 I8 L12 A13 F14V6-S10 VanDerWaalsContact O-CB 3.23Å; V6-S10 WeakPolarHBondContact O-CB 3.41Å; V6-S10 PolarHBondContact O-N 3.03Å; C7-S10 PolarHBondContact O-N 3.33Å; I8-S10 VanDerWaalsContact C-N 3.31Å; I8-S10 PolarHBondContact O-N 3.42Å; S10-L12 VanDerWaalsContact C-N 3.33Å; S10-L12 PolarHBondContact O-N 3.02Å; S10-A13 WeakPolarHBondContact O-CB 3.3Å; S10-A13 PolarHBondContact O-N 3.39Å; S10-A13 VanDerWaalsContact O-N 3.1Å; S10-F14 WeakPolarHBondContact O-CD2 3.44Å; S10-F14 PolarHBondContact O-N 3.48Å; S10-F14 WeakPolarHBondContact OG-CE2 3.39Å
11L55.6Low53.4Low121 Ų121110.6 Ų110.663%0.63460%0.602SS**Hα-helixtrans-62.8-36175.8-77.9161.9000113C7 I8 A13 F14 S15C7-L11 WeakPolarHBondContact O-CB 3.49Å; C7-L11 WeakPolarHBondContact O-CD1 3.28Å; C7-L11 WeakPolarHBondContact O-CG 3.45Å; C7-L11 PolarHBondContact O-N 3.49Å; I8-L11 PolarHBondContact O-N 2.97Å; L11-A13 VanDerWaalsContact C-N 3.34Å; L11-F14 PolarHBondContact O-N 3.43Å; L11-S15 PolarHBondContact O-N 3.22Å
12L54.6Low53.2Low113 Ų113106.3 Ų106.359%0.59258%0.584SS**Hα-helixtrans-72.5-25.9174-70.6170.1000112.9I8 S10 S15I8-L12 HydrophobicContact CG2-CD1 3.92Å; I8-L12 WeakPolarHBondContact O-CB 3.49Å; I8-L12 VanDerWaalsContact O-CG 3.25Å; I8-L12 WeakPolarHBondContact O-CG 3.31Å; I8-L12 PolarHBondContact O-N 3.29Å; S10-L12 VanDerWaalsContact C-N 3.33Å; S10-L12 PolarHBondContact O-N 3.02Å; L12-S15 PolarHBondContact O-OG 3.44Å
13A53.1Low53.9Low53 Ų53106.5 Ų106.544%0.43859%0.587SS.*Hα-helixtrans-74.3-36.2171.800000111.7S9 S10 L11 S16S9-A13 PolarHBondContact O-N 3.25Å; S9-A13 VanDerWaalsContact O-N 3.12Å; S10-A13 WeakPolarHBondContact O-CB 3.3Å; S10-A13 PolarHBondContact O-N 3.39Å; S10-A13 VanDerWaalsContact O-N 3.1Å; L11-A13 VanDerWaalsContact C-N 3.34Å; A13-S16 PolarHBondContact O-N 2.96Å; A13-S16 PolarHBondContact O-OG 3.14Å
14F51.1Low54.7Low145 Ų145102.9 Ų102.964%0.63658%0.575SS**Hα-helixtrans-73.4-29.8178.2-76.7-70.3000114.1S10 L11 S16S10-F14 WeakPolarHBondContact O-CD2 3.44Å; S10-F14 PolarHBondContact O-N 3.48Å; S10-F14 WeakPolarHBondContact OG-CE2 3.39Å; L11-F14 PolarHBondContact O-N 3.43Å; F14-S16 PolarHBondContact O-N 3.15Å
15S48.7Very low56.2Low81 Ų8198.7 Ų98.757%0.56655%0.554SS**THydrogen-bonded Turntrans-72.5-17.5173.660.30000113.4L11 L12 V17L11-S15 PolarHBondContact O-N 3.22Å; L12-S15 PolarHBondContact O-OG 3.44Å; S15-V17 VanDerWaalsContact C-N 3.32Å; S15-V17 PolarHBondContact O-N 3.35Å
16S45.3Very low58.1Low84 Ų8492.3 Ų92.359%0.58753%0.532SS*.THydrogen-bonded Turntrans-79.7-10.1179.672.50000114.5A13 F14A13-S16 PolarHBondContact O-N 2.96Å; A13-S16 PolarHBondContact O-OG 3.14Å; F14-S16 PolarHBondContact O-N 3.15Å
17V52.6Low59.8Low103 Ų10392.2 Ų92.262%0.62452%0.523SS*.SBendtrans-94.7-13.4-174.4179.70000113.6S15S15-V17 VanDerWaalsContact C-N 3.32Å; S15-V17 PolarHBondContact O-N 3.35Å
18F46.6Very low61.7Low136 Ų13691.9 Ų91.960%0.59652%0.519SS*.  trans-123.172.7173.3-60.7-81.4000109.4D20F18-D20 PolarHBondContact O-N 2.92Å
19S44Very low63.4Low109 Ų10992.4 Ų92.476%0.76252%0.518SS*.  trans-66.991.2148.8-75.30000106.3Q21S19-Q21 PolarHBondContact O-N 2.97Å
20D43.9Very low65.2Low157 Ų15790.4 Ų90.484%0.8450%0.504SS*.  trans-56.389.1157.4-105.1-46.9000105.9F18 N22F18-D20 PolarHBondContact O-N 2.92Å; D20-N22 PolarHBondContact O-N 3.3Å
21Q55.9Low66.5Low127 Ų12790.9 Ų90.959%0.59351%0.511SS*.  trans-68105.8175.3-161.9162.94600104.8S19 T23S19-Q21 PolarHBondContact O-N 2.97Å; Q21-T23 VanDerWaalsContact C-N 3.3Å; Q21-T23 WeakPolarHBondContact O-CG2 3.48Å; Q21-T23 PolarHBondContact O-N 3.03Å
22N49.3Very low67.6Low130 Ų13089 Ų8970%0.69551%0.513SS*.  trans-5691.1-178.6-173.24.4000109.6D20 S24D20-N22 PolarHBondContact O-N 3.3Å; N22-S24 VanDerWaalsContact CG-OG 3.24Å; N22-S24 PolarHBondContact ND2-OG 3.16Å; N22-S24 PolarHBondContact O-N 3.13Å; N22-S24 VanDerWaalsContact O-N 3.13Å; N22-S24 VanDerWaalsContact OD1-CB 3.23Å; N22-S24 WeakPolarHBondContact OD1-CB 3.32Å; N22-S24 PolarHBondContact OD1-OG 3.06Å
23T66Low68.5Low74 Ų7491.1 Ų91.145%0.45453%0.525SS..G310 helixtrans-76.610.8-177.4490000112.7Q21 N25 I26 L67Q21-T23 VanDerWaalsContact C-N 3.3Å; Q21-T23 WeakPolarHBondContact O-CG2 3.48Å; Q21-T23 PolarHBondContact O-N 3.03Å; T23-N25 PolarHBondContact O-N 3.08Å; T23-I26 PolarHBondContact O-N 3.03Å; T23-L67 HydrophobicContact CG2-CD2 4.35Å
24S74.1Confident70.2Confident66 Ų6694.4 Ų94.446%0.46253%0.531SS..G310 helixtrans-55.5-27.5-178.150.80000114.1N22N22-S24 VanDerWaalsContact CG-OG 3.24Å; N22-S24 PolarHBondContact ND2-OG 3.16Å; N22-S24 PolarHBondContact O-N 3.13Å; N22-S24 VanDerWaalsContact O-N 3.13Å; N22-S24 VanDerWaalsContact OD1-CB 3.23Å; N22-S24 WeakPolarHBondContact OD1-CB 3.32Å; N22-S24 PolarHBondContact OD1-OG 3.06Å
25N92.2Very high72.3Confident44 Ų4488 Ų8824%0.23551%0.505CS..G310 helixtrans-96.19.4179.9-68.6-27000114.1T23 Y44 Q45T23-N25 PolarHBondContact O-N 3.08Å; N25-Y44 HydrophobicContact CB-CD2 4Å; N25-Y44 HydrophobicContact CB-CE2 3.47Å; N25-Y44 VanDerWaalsContact CB-CE2 3.47Å; N25-Y44 CarbonylContact O-C 3.58Å; N25-Y44 WeakPolarHBondContact O-CA 3.24Å; N25-Q45 VanDerWaalsContact CB-O 3.28Å; N25-Q45 WeakPolarHBondContact CB-O 3.43Å; N25-Q45 PolarHBondContact O-N 3.24Å
26I94.4Very high74.6Confident30 Ų3085.3 Ų85.315%0.15449%0.485CS..EExtended strand (participates in β ladder)trans-100.4133.7178.7-59.8-61000110.2T23 V28 V42 Y44 F55 I63 L67T23-I26 PolarHBondContact O-N 3.03Å; I26-V28 HydrophobicContact CG2-CG2 4.36Å; I26-V42 HydrophobicContact CG2-CG1 3.42Å; I26-V42 VanDerWaalsContact CG2-CG1 3.42Å; I26-Y44 HydrophobicContact CD1-CD2 4.45Å; I26-F55 HydrophobicContact CD1-CE1 4.41Å; I26-F55 HydrophobicContact CD1-CZ 3.86Å; I26-I63 HydrophobicContact CD1-CD1 3.72Å; I26-I63 HydrophobicContact CD1-CG1 4.08Å; I26-I63 HydrophobicContact CG1-CD1 4.16Å; I26-L67 HydrophobicContact CG2-CD1 4.46Å
27K95.2Very high77.1Confident94 Ų9481.5 Ų81.541%0.40946%0.459SS..EExtended strand (participates in β ladder)trans-117.2139173.2-66.9-59.2-172.4-169.80110V42 S43 Q45 L51K27-V42 CarbonylContact O-C 3.58Å; K27-V42 WeakPolarHBondContact O-CA 2.91Å; K27-S43 PolarHBondContact N-O 3.33Å; K27-S43 PolarHBondContact O-N 3.03Å; K27-Q45 VanDerWaalsContact CE-CD 3.45Å; K27-Q45 HydrophobicContact CG-CB 3.91Å; K27-L51 HydrophobicContact CB-CD2 4.11Å; K27-L51 HydrophobicContact CG-CD2 4.05Å
28V95.4Very high79.2Confident62 Ų6276.6 Ų76.638%0.37643%0.429SS..EExtended strand (participates in β ladder)trans-122.3136-179-171.50000108.7I26 P30 T40 Q41 V42I26-V28 HydrophobicContact CG2-CG2 4.36Å; V28-P30 CarbonylContact C-O 3.56Å; V28-T40 HydrophobicContact CG1-CG2 3.97Å; V28-Q41 CarbonylContact C-O 3.54Å; V28-Q41 VanDerWaalsContact CA-O 3.31Å; V28-Q41 WeakPolarHBondContact CA-O 3.28Å; V28-V42 HydrophobicContact CG1-CG2 4.46Å; V28-V42 HydrophobicContact CG2-CG2 4.28Å
29F96.6Very high81.7Confident96 Ų9670.1 Ų70.142%0.42140%0.4SS..EExtended strand (participates in β ladder)trans-128.9132.6174.3174.8-96.2000109.9T40 Q41 L85 T87F29-T40 CarbonylContact O-C 3.56Å; F29-T40 VanDerWaalsContact O-CA 3.31Å; F29-T40 WeakPolarHBondContact O-CA 3.47Å; F29-Q41 HydrophobicContact CB-CB 4.42Å; F29-Q41 PolarHBondContact N-O 3.02Å; F29-Q41 PolarHBondContact O-N 3.41Å; F29-L85 HydrophobicContact CD1-CD1 4.24Å; F29-L85 HydrophobicContact CE1-CD1 3.89Å; F29-T87 HydrophobicContact CD1-CG2 4.05Å; F29-T87 HydrophobicContact CE1-CG2 4.04Å
30P95.4Very high84.3Confident18 Ų1865.4 Ų65.412%0.11737%0.367CS..SBendcis-57.6157.2-8.2-23.835.8000113.1V28 Q34V28-P30 CarbonylContact C-O 3.56Å; P30-Q34 HydrophobicContact CB-CB 3.98Å
31A87.4Confident86.9Confident65 Ų6558.3 Ų58.354%0.53733%0.329SS..SBendtrans-78.8177.4-178.400000111.9N33 Q34A31-N33 PolarHBondContact O-N 3.49Å; A31-Q34 VanDerWaalsContact O-CB 3.27Å; A31-Q34 WeakPolarHBondContact O-CB 3.44Å; A31-Q34 WeakPolarHBondContact O-CG 3.43Å; A31-Q34 PolarHBondContact O-N 3.32Å; A31-Q34 VanDerWaalsContact O-N 3.14Å
32A76.9Confident88.8Confident83 Ų8352.2 Ų52.269%0.68630%0.3SS*.THydrogen-bonded Turntrans61.437.6171.300000115.8Q34A32-Q34 PolarHBondContact O-N 2.95Å; A32-Q34 VanDerWaalsContact O-N 3.15Å
33N73.7Confident91.2Very high156 Ų15646.5 Ų46.583%0.83427%0.27SS*.THydrogen-bonded Turntrans58.122.1-175.5-51.6-31.9000113.2A31A31-N33 PolarHBondContact O-N 3.49Å
34Q88.6Confident92.6Very high122 Ų12246.2 Ų46.257%0.5726%0.261SS*.  trans-85.3148.4171.7-62.7175.415.900109.4P30 A31 A32 T40P30-Q34 HydrophobicContact CB-CB 3.98Å; A31-Q34 VanDerWaalsContact O-CB 3.27Å; A31-Q34 WeakPolarHBondContact O-CB 3.44Å; A31-Q34 WeakPolarHBondContact O-CG 3.43Å; A31-Q34 PolarHBondContact O-N 3.32Å; A31-Q34 VanDerWaalsContact O-N 3.14Å; A32-Q34 PolarHBondContact O-N 2.95Å; A32-Q34 VanDerWaalsContact O-N 3.15Å; Q34-T40 VanDerWaalsContact O-CG2 3.32Å; Q34-T40 WeakPolarHBondContact O-CG2 3.33Å
35S96Very high93.6Very high11 Ų1144.3 Ų44.38%0.07725%0.245CC..  trans-136158.2173.661.90000108.9G38 V39 D136 Q140S35-G38 WeakPolarHBondContact OG-CA 3.39Å; S35-V39 WeakPolarHBondContact CA-O 3.33Å; S35-D136 WeakPolarHBondContact OG-CB 3.22Å; S35-D136 PolarHBondContact OG-OD2 3.47Å; S35-Q140 PolarHBondContact O-NE2 3.05Å
36T97.4Very high93.7Very high24 Ų2442.7 Ų42.715%0.14724%0.236CC..BIsolated β-bridgetrans-110.3113.7174.6-54.10000108G38 V39 A80 R83 L85T36-G38 PolarHBondContact O-N 3.34Å; T36-V39 PolarHBondContact N-O 3.46Å; T36-V39 WeakPolarHBondContact O-CB 3.39Å; T36-V39 PolarHBondContact O-N 2.96Å; T36-A80 HydrophobicContact CG2-CB 4.32Å; T36-A80 VanDerWaalsContact CG2-O 3.3Å; T36-A80 WeakPolarHBondContact CG2-O 3.42Å; T36-A80 WeakPolarHBondContact O-CB 3.44Å; T36-R83 HydrophobicContact CG2-CB 3.76Å; T36-L85 HydrophobicContact CG2-CB 3.92Å
37A97Very high93.5Very high5 Ų547.9 Ų47.94%0.04127%0.265CS..THydrogen-bonded Turntrans51.936.4-168.500000113V39 E79 A80 F132A37-V39 PolarHBondContact O-N 3.38Å; A37-E79 HydrophobicContact CB-CG 3.9Å; A37-A80 HydrophobicContact CB-CB 4.16Å; A37-F132 WeakPolarHBondContact O-CE2 3.37Å
38G97.3Very high93.5Very high0 Ų050 Ų500%028%0.276CS..THydrogen-bonded Turntrans76.9-3.2-17400000115.4S35 T36 F132 N133S35-G38 WeakPolarHBondContact OG-CA 3.39Å; T36-G38 PolarHBondContact O-N 3.34Å; G38-F132 CarbonylContact O-C 3.57Å; G38-F132 WeakPolarHBondContact O-CA 3.36Å; G38-N133 WeakPolarHBondContact CA-O 3.21Å; G38-N133 PolarHBondContact O-N 2.96Å
39V98.6Very high93.3Very high0 Ų052.8 Ų52.80%029%0.289CS..EExtended strand (participates in β ladder)trans-91.7137.3-179.6179.20000111.7S35 T36 A37 A72 Q76 V77 A80 L85 F130 C131 F132S35-V39 WeakPolarHBondContact CA-O 3.33Å; T36-V39 PolarHBondContact N-O 3.46Å; T36-V39 WeakPolarHBondContact O-CB 3.39Å; T36-V39 PolarHBondContact O-N 2.96Å; A37-V39 PolarHBondContact O-N 3.38Å; V39-A72 HydrophobicContact CG1-CB 4.5Å; V39-A72 HydrophobicContact CG2-CB 4.43Å; V39-Q76 HydrophobicContact CG2-CB 4.08Å; V39-V77 HydrophobicContact CG1-CG2 4.28Å; V39-A80 HydrophobicContact CB-CB 3.65Å; V39-A80 HydrophobicContact CG1-CB 4.28Å; V39-A80 HydrophobicContact CG2-CB 3.73Å; V39-L85 HydrophobicContact CB-CD2 4.21Å; V39-L85 HydrophobicContact CG1-CD2 3.7Å; V39-F130 HydrophobicContact CG1-CB 4.19Å; V39-F130 HydrophobicContact CG1-CD1 3.91Å; V39-F130 HydrophobicContact CG1-CG 4.44Å; V39-C131 WeakPolarHBondContact CA-O 3.04Å; V39-F132 HydrophobicContact CG2-CD2 3.99Å
40T98.3Very high93.2Very high9 Ų953.6 Ų53.66%0.05529%0.294CS..EExtended strand (participates in β ladder)trans-130.3145.5168.457.70000110.8V28 F29 Q34 F130 C131V28-T40 HydrophobicContact CG1-CG2 3.97Å; F29-T40 CarbonylContact O-C 3.56Å; F29-T40 VanDerWaalsContact O-CA 3.31Å; F29-T40 WeakPolarHBondContact O-CA 3.47Å; Q34-T40 VanDerWaalsContact O-CG2 3.32Å; Q34-T40 WeakPolarHBondContact O-CG2 3.33Å; T40-F130 CarbonylContact O-C 3.45Å; T40-F130 VanDerWaalsContact O-CA 3.29Å; T40-F130 WeakPolarHBondContact O-CA 3.48Å; T40-C131 PolarHBondContact N-O 3.09Å; T40-C131 PolarHBondContact O-N 2.78Å
41Q98.3Very high93.2Very high8 Ų856.8 Ų56.84%0.03731%0.309CS..EExtended strand (participates in β ladder)trans-90.1128.5166.7-177.7165.55200109.7V28 F29 T87 R89 D128 V129 F130V28-Q41 CarbonylContact C-O 3.54Å; V28-Q41 VanDerWaalsContact CA-O 3.31Å; V28-Q41 WeakPolarHBondContact CA-O 3.28Å; F29-Q41 HydrophobicContact CB-CB 4.42Å; F29-Q41 PolarHBondContact N-O 3.02Å; F29-Q41 PolarHBondContact O-N 3.41Å; Q41-T87 VanDerWaalsContact OE1-CB 3.24Å; Q41-T87 PolarHBondContact OE1-OG1 3.29Å; Q41-R89 PolarHBondContact NE2-O 2.99Å; Q41-D128 HydrophobicContact CG-CB 4.32Å; Q41-V129 CarbonylContact C-O 3.12Å; Q41-V129 WeakPolarHBondContact CA-O 3.48Å; Q41-F130 HydrophobicContact CB-CD1 3.95Å; Q41-F130 HydrophobicContact CB-CE1 3.73Å; Q41-F130 HydrophobicContact CG-CD1 4.48Å; Q41-F130 HydrophobicContact CG-CE1 4.11Å; Q41-F130 HydrophobicContact CG-CZ 4.49Å
42V97.8Very high93.6Very high0 Ų057.8 Ų57.80%030%0.303CS..EExtended strand (participates in β ladder)trans-113123.5177.6-177.80000109.4I26 K27 V28 I63 L67 D128 V129 C131I26-V42 HydrophobicContact CG2-CG1 3.42Å; I26-V42 VanDerWaalsContact CG2-CG1 3.42Å; K27-V42 CarbonylContact O-C 3.58Å; K27-V42 WeakPolarHBondContact O-CA 2.91Å; V28-V42 HydrophobicContact CG1-CG2 4.46Å; V28-V42 HydrophobicContact CG2-CG2 4.28Å; V42-I63 HydrophobicContact CG1-CG1 4.33Å; V42-L67 HydrophobicContact CG1-CD1 3.99Å; V42-L67 HydrophobicContact CG2-CD1 3.91Å; V42-D128 WeakPolarHBondContact O-CB 3.24Å; V42-V129 HydrophobicContact CB-CG1 3.78Å; V42-V129 HydrophobicContact CG1-CG1 4.45Å; V42-V129 PolarHBondContact N-O 3.42Å; V42-V129 PolarHBondContact O-N 3.42Å; V42-C131 HydrophobicContact CG2-CB 4.29Å; V42-C131 WeakPolarHBondContact CG2-SG 3.43Å
43S97.6Very high94.6Very high9 Ų957.3 Ų57.36%0.06328%0.284CS..EExtended strand (participates in β ladder)trans-124.8154.2-177.4-53.30000110.4K27 D128K27-S43 PolarHBondContact N-O 3.33Å; K27-S43 PolarHBondContact O-N 3.03Å; S43-D128 PolarHBondContact OG-OD2 3.26Å
44Y96.8Very high95.8Very high68 Ų6850.6 Ų50.627%0.26725%0.25SS..EExtended strand (participates in β ladder)trans-92.5137.7171.7-179.6-97.2000110.5N25 I26 N46 L51 Q52 A54N25-Y44 HydrophobicContact CB-CD2 4Å; N25-Y44 HydrophobicContact CB-CE2 3.47Å; N25-Y44 VanDerWaalsContact CB-CE2 3.47Å; N25-Y44 CarbonylContact O-C 3.58Å; N25-Y44 WeakPolarHBondContact O-CA 3.24Å; I26-Y44 HydrophobicContact CD1-CD2 4.45Å; Y44-N46 HydrophobicContact CE1-CB 4.24Å; Y44-L51 CarbonylContact O-C 3.5Å; Y44-L51 WeakPolarHBondContact O-CA 3.48Å; Y44-Q52 HydrophobicContact CD1-CB 4.32Å; Y44-Q52 PolarHBondContact O-N 2.93Å; Y44-A54 HydrophobicContact CD1-CB 3.98Å; Y44-A54 HydrophobicContact CG-CB 3.72Å
45Q95.6Very high96.2Very high26 Ų2645.6 Ų45.612%0.12123%0.227CC..EExtended strand (participates in β ladder)trans-111.7127.1172.3-170.2-176.5-81.100109.2N25 K27 N49 Q50 L51N25-Q45 VanDerWaalsContact CB-O 3.28Å; N25-Q45 WeakPolarHBondContact CB-O 3.43Å; N25-Q45 PolarHBondContact O-N 3.24Å; K27-Q45 VanDerWaalsContact CE-CD 3.45Å; K27-Q45 HydrophobicContact CG-CB 3.91Å; Q45-N49 PolarHBondContact NE2-ND2 3.49Å; Q45-Q50 WeakPolarHBondContact CA-O 3.48Å; Q45-L51 HydrophobicContact CB-CD2 4.37Å
46N92.4Very high96.3Very high10 Ų1046.9 Ų46.95%0.05323%0.233CC..  trans-75.7176.6175.373.5-0.4000112.2Y44 Q48 N49 Q50 Q52Y44-N46 HydrophobicContact CE1-CB 4.24Å; N46-Q48 PolarHBondContact ND2-OE1 3.41Å; N46-Q48 PolarHBondContact O-N 2.62Å; N46-Q48 VanDerWaalsContact OD1-C 3.3Å; N46-Q48 WeakPolarHBondContact OD1-CA 3.37Å; N46-Q48 WeakPolarHBondContact OD1-CB 3.29Å; N46-Q48 PolarHBondContact OD1-N 3.03Å; N46-N49 PolarHBondContact O-N 3.06Å; N46-N49 PolarHBondContact OD1-N 3.37Å; N46-Q50 PolarHBondContact N-O 3.1Å; N46-Q50 PolarHBondContact ND2-OE1 3.05Å; N46-Q50 WeakPolarHBondContact OD1-CA 3.31Å; N46-Q50 WeakPolarHBondContact OD1-CB 3.26Å; N46-Q50 PolarHBondContact OD1-N 3.07Å; N46-Q50 PolarHBondContact OD1-O 3.44Å; N46-Q52 HydrophobicContact CB-CG 4.39Å; N46-Q52 VanDerWaalsContact CB-NE2 3.31Å; N46-Q52 PolarHBondContact ND2-NE2 3.14Å
47N92Very high96.4Very high139 Ų13946 Ų4674%0.74323%0.228SC*.THydrogen-bonded Turntrans-64.8-6.8177.7-58.2-16.3000114
48Q93.9Very high96.5Very high140 Ų14048.8 Ų48.865%0.65425%0.247SC*.THydrogen-bonded Turntrans-104.514.2177.3-61.1157.7-48.100111.5N46 Q50N46-Q48 PolarHBondContact ND2-OE1 3.41Å; N46-Q48 PolarHBondContact O-N 2.62Å; N46-Q48 VanDerWaalsContact OD1-C 3.3Å; N46-Q48 WeakPolarHBondContact OD1-CA 3.37Å; N46-Q48 WeakPolarHBondContact OD1-CB 3.29Å; N46-Q48 PolarHBondContact OD1-N 3.03Å; Q48-Q50 HydrophobicContact CB-CG 4.45Å; Q48-Q50 PolarHBondContact O-N 3.49Å
49N91.5Very high96.5Very high119 Ų11951.8 Ų51.864%0.63626%0.261SS*.SBendtrans60.624.2-177.4-68.852.2000115Q45 N46Q45-N49 PolarHBondContact NE2-ND2 3.49Å; N46-N49 PolarHBondContact O-N 3.06Å; N46-N49 PolarHBondContact OD1-N 3.37Å
50Q94.9Very high96.5Very high113 Ų11351.8 Ų51.853%0.52826%0.261SS..  trans-100.5134.9176.6-62.6176.1-47.800111Q45 N46 Q48Q45-Q50 WeakPolarHBondContact CA-O 3.48Å; N46-Q50 PolarHBondContact N-O 3.1Å; N46-Q50 PolarHBondContact ND2-OE1 3.05Å; N46-Q50 WeakPolarHBondContact OD1-CA 3.31Å; N46-Q50 WeakPolarHBondContact OD1-CB 3.26Å; N46-Q50 PolarHBondContact OD1-N 3.07Å; N46-Q50 PolarHBondContact OD1-O 3.44Å; Q48-Q50 HydrophobicContact CB-CG 4.45Å; Q48-Q50 PolarHBondContact O-N 3.49Å
51L95.6Very high96.5Very high85 Ų8554.6 Ų54.645%0.44527%0.271SS..EExtended strand (participates in β ladder)trans-71.6128.1174.4-65.2177.1000110.6K27 Y44 Q45K27-L51 HydrophobicContact CB-CD2 4.11Å; K27-L51 HydrophobicContact CG-CD2 4.05Å; Y44-L51 CarbonylContact O-C 3.5Å; Y44-L51 WeakPolarHBondContact O-CA 3.48Å; Q45-L51 HydrophobicContact CB-CD2 4.37Å
52Q96.1Very high96.5Very high86 Ų8660.6 Ų60.640%0.40230%0.297SS..EExtended strand (participates in β ladder)trans-125.7143.2178.6-61.3-168.117.800111.4Y44 N46 A54 R89Y44-Q52 HydrophobicContact CD1-CB 4.32Å; Y44-Q52 PolarHBondContact O-N 2.93Å; N46-Q52 HydrophobicContact CB-CG 4.39Å; N46-Q52 VanDerWaalsContact CB-NE2 3.31Å; N46-Q52 PolarHBondContact ND2-NE2 3.14Å; Q52-A54 PolarHBondContact O-N 2.98Å; Q52-R89 VanDerWaalsContact C-NH2 3.31Å
53Y97.9Very high96.5Very high73 Ų7361.7 Ų61.729%0.28630%0.302SS..  trans-71.7108168.8-73.2-49.2000109.3R89 Y90 R126 F127 D128Y53-R89 HydrophobicContact CE1-CB 4.41Å; Y53-R89 VanDerWaalsContact CE1-NE 3.3Å; Y53-R89 VanDerWaalsContact CG-NH2 3.3Å; Y53-R89 WeakPolarHBondContact OH-CA 3.47Å; Y53-Y90 VanDerWaalsContact CE1-O 3.3Å; Y53-Y90 WeakPolarHBondContact CE1-O 3.41Å; Y53-Y90 HydrophobicContact CE2-CD2 4.42Å; Y53-Y90 AromaticContact CZ-CD2 3.98Å; Y53-Y90 WeakPolarHBondContact OH-CD2 3.47Å; Y53-Y90 PolarHBondContact OH-N 2.76Å; Y53-R126 WeakPolarHBondContact CB-O 3.38Å; Y53-R126 VanDerWaalsContact O-CB 3.29Å; Y53-R126 WeakPolarHBondContact O-CB 3.11Å; Y53-F127 HydrophobicContact CD1-CB 4.19Å; Y53-F127 HydrophobicContact CD1-CD1 4.15Å; Y53-F127 HydrophobicContact CE1-CD1 4.27Å; Y53-F127 HydrophobicContact CG-CD1 4.3Å; Y53-D128 WeakPolarHBondContact CD1-OD1 3.44Å
54A97.4Very high96.5Very high16 Ų1661.2 Ų61.213%0.13230%0.299CS..  trans-124.3-7.2-166.400000114.6Y44 Q52 R126 F127Y44-A54 HydrophobicContact CD1-CB 3.98Å; Y44-A54 HydrophobicContact CG-CB 3.72Å; Q52-A54 PolarHBondContact O-N 2.98Å; A54-R126 PolarHBondContact O-NE 2.85Å; A54-R126 PolarHBondContact O-NH2 3.21Å; A54-F127 PolarHBondContact N-O 2.75Å
55F98.3Very high96.5Very high17 Ų1763.6 Ų63.68%0.07531%0.313CS..BIsolated β-bridgetrans-115.7124-173.7-45.9-54.7000111I26 E59 A60 I63 W92 R126 F127 V129I26-F55 HydrophobicContact CD1-CE1 4.41Å; I26-F55 HydrophobicContact CD1-CZ 3.86Å; F55-E59 HydrophobicContact CB-CB 4.26Å; F55-A60 HydrophobicContact CB-CB 4.08Å; F55-I63 HydrophobicContact CD1-CG2 4.48Å; F55-I63 HydrophobicContact CD2-CG2 4.32Å; F55-I63 HydrophobicContact CE1-CG1 4.35Å; F55-I63 HydrophobicContact CE2-CG2 4.36Å; F55-I63 HydrophobicContact CG-CG2 4.38Å; F55-I63 HydrophobicContact CZ-CG1 4.24Å; F55-I63 HydrophobicContact CZ-CG2 4.46Å; F55-W92 VanDerWaalsContact O-CD1 3.26Å; F55-W92 PolarHBondContact O-NE1 2.9Å; F55-R126 CarbonylContact O-C 3.59Å; F55-R126 VanDerWaalsContact O-CA 3.32Å; F55-R126 WeakPolarHBondContact O-CA 3.48Å; F55-F127 PolarHBondContact N-O 3.48Å; F55-F127 PolarHBondContact O-N 3.45Å; F55-V129 HydrophobicContact CD2-CG1 4.25Å
56N98.7Very high96.5Very high37 Ų3765 Ų6520%0.19833%0.325CS..  trans-72.9171.1160.573.843.7000110.9S58 E59 A60 V123 N125N56-S58 VanDerWaalsContact C-N 3.26Å; N56-S58 PolarHBondContact O-N 3.14Å; N56-S58 PolarHBondContact OD1-N 3.49Å; N56-E59 VanDerWaalsContact CG-CD 3.47Å; N56-E59 VanDerWaalsContact CG-OE2 3.31Å; N56-E59 PolarHBondContact N-OE2 2.99Å; N56-E59 PolarHBondContact ND2-OE1 2.88Å; N56-E59 PolarHBondContact ND2-OE2 2.7Å; N56-E59 PolarHBondContact O-N 3.32Å; N56-E59 VanDerWaalsContact O-N 3.16Å; N56-E59 WeakPolarHBondContact OD1-CG 3.42Å; N56-E59 PolarHBondContact OD1-N 3.16Å; N56-A60 VanDerWaalsContact O-CB 3.22Å; N56-A60 WeakPolarHBondContact O-CB 3.31Å; N56-A60 PolarHBondContact O-N 3.47Å; N56-V123 WeakPolarHBondContact CB-O 3.44Å; N56-N125 WeakPolarHBondContact CA-O 3.46Å
57A98.5Very high96.5Very high6 Ų667.3 Ų67.35%0.0534%0.337CS..Hα-helixtrans-60.3-33-173.300000113.6R61 W92 Q96 V123A57-R61 PolarHBondContact O-N 2.95Å; A57-W92 HydrophobicContact CB-CD2 4.06Å; A57-W92 HydrophobicContact CB-CE3 4.21Å; A57-W92 HydrophobicContact CB-CH2 4.42Å; A57-W92 HydrophobicContact CB-CZ2 4.24Å; A57-W92 HydrophobicContact CB-CZ3 4.41Å; A57-Q96 HydrophobicContact CB-CB 4.49Å; A57-Q96 HydrophobicContact CB-CG 4.47Å; A57-V123 HydrophobicContact CB-CB 3.95Å; A57-V123 HydrophobicContact CB-CG1 4.29Å; A57-V123 PolarHBondContact N-O 3.47Å
58S98.4Very high96.7Very high63 Ų6364 Ų6444%0.44134%0.336SS..Hα-helixtrans-77.1-40.6176.3-1800000112.3N56 A60 R61 K62N56-S58 VanDerWaalsContact C-N 3.26Å; N56-S58 PolarHBondContact O-N 3.14Å; N56-S58 PolarHBondContact OD1-N 3.49Å; S58-A60 VanDerWaalsContact C-N 3.3Å; S58-R61 PolarHBondContact O-N 3.27Å; S58-K62 WeakPolarHBondContact O-CG 3.19Å; S58-K62 PolarHBondContact O-N 2.97Å
59E98.4Very high96.8Very high64 Ų6459.1 Ų59.130%0.29931%0.314SS..Hα-helixtrans-64.3-38.3176-70.9167.216600111F55 N56 R61 K62 I63 R126F55-E59 HydrophobicContact CB-CB 4.26Å; N56-E59 VanDerWaalsContact CG-CD 3.47Å; N56-E59 VanDerWaalsContact CG-OE2 3.31Å; N56-E59 PolarHBondContact N-OE2 2.99Å; N56-E59 PolarHBondContact ND2-OE1 2.88Å; N56-E59 PolarHBondContact ND2-OE2 2.7Å; N56-E59 PolarHBondContact O-N 3.32Å; N56-E59 VanDerWaalsContact O-N 3.16Å; N56-E59 WeakPolarHBondContact OD1-CG 3.42Å; N56-E59 PolarHBondContact OD1-N 3.16Å; E59-R61 VanDerWaalsContact C-N 3.33Å; E59-R61 PolarHBondContact O-N 3.38Å; E59-K62 WeakPolarHBondContact O-CB 3.29Å; E59-K62 PolarHBondContact O-N 2.99Å; E59-K62 VanDerWaalsContact O-N 3.1Å; E59-I63 PolarHBondContact O-N 3.24Å; E59-R126 IonicContact OE1-NH2 3.86Å; E59-R126 PolarHBondContact OE1-NH2 3.26Å; E59-R126 IonicContact OE2-CZ 3.32Å; E59-R126 IonicContact OE2-NH1 3.97Å; E59-R126 IonicContact OE2-NH2 2.83Å; E59-R126 PolarHBondContact OE2-NH2 3.11Å
60A98.6Very high97.2Very high0 Ų056 Ų560%030%0.302CS..Hα-helixtrans-56.8-44175.600000112F55 N56 S58 I63 C64 I71 W92 V129F55-A60 HydrophobicContact CB-CB 4.08Å; N56-A60 VanDerWaalsContact O-CB 3.22Å; N56-A60 WeakPolarHBondContact O-CB 3.31Å; N56-A60 PolarHBondContact O-N 3.47Å; S58-A60 VanDerWaalsContact C-N 3.3Å; A60-I63 VanDerWaalsContact O-CG2 3.23Å; A60-I63 WeakPolarHBondContact O-CG2 3.42Å; A60-C64 PolarHBondContact O-N 2.91Å; A60-I71 HydrophobicContact CB-CD1 4.37Å; A60-W92 HydrophobicContact CB-CB 3.75Å; A60-W92 HydrophobicContact CB-CG 3.93Å; A60-V129 HydrophobicContact CB-CB 3.78Å; A60-V129 HydrophobicContact CB-CG2 3.68Å
61R98.6Very high97.3Very high68 Ų6851.3 Ų51.326%0.25728%0.28SS..Hα-helixtrans-64.2-43.5174.2-175.4175.3-68.41031.5111.8A57 S58 E59 I63 C64 Q65 I71 D94A57-R61 PolarHBondContact O-N 2.95Å; S58-R61 PolarHBondContact O-N 3.27Å; E59-R61 VanDerWaalsContact C-N 3.33Å; E59-R61 PolarHBondContact O-N 3.38Å; R61-I63 PolarHBondContact O-N 2.97Å; R61-C64 PolarHBondContact O-N 3.38Å; R61-Q65 WeakPolarHBondContact O-CG 3.49Å; R61-Q65 PolarHBondContact O-N 2.84Å; R61-Q65 VanDerWaalsContact O-N 3.14Å; R61-I71 HydrophobicContact CB-CD1 4.49Å; R61-I71 HydrophobicContact CB-CG2 4.4Å; R61-I71 HydrophobicContact CG-CG2 4.03Å; R61-D94 IonicContact CZ-OD1 2.81Å; R61-D94 IonicContact NE-OD1 2.76Å; R61-D94 PolarHBondContact NE-OD1 3.24Å; R61-D94 PolarHBondContact NH2-O 2.92Å; R61-D94 IonicContact NH2-OD1 3.24Å; R61-D94 PolarHBondContact NH2-OD1 2.88Å
62K97.9Very high97.5Very high133 Ų13347.2 Ų47.258%0.57826%0.259SS*.Hα-helixtrans-64.3-39.1-179.1-69.6176.5-178.5179.70112.3S58 E59 Q65 S66S58-K62 WeakPolarHBondContact O-CG 3.19Å; S58-K62 PolarHBondContact O-N 2.97Å; E59-K62 WeakPolarHBondContact O-CB 3.29Å; E59-K62 PolarHBondContact O-N 2.99Å; E59-K62 VanDerWaalsContact O-N 3.1Å; K62-Q65 WeakPolarHBondContact O-CB 3.34Å; K62-Q65 PolarHBondContact O-N 3.47Å; K62-S66 PolarHBondContact O-N 3.39Å; K62-S66 PolarHBondContact O-OG 3.29Å
63I97.1Very high97.6Very high23 Ų2344.4 Ų44.412%0.11825%0.249CC..Hα-helixtrans-69.3-36.2-179.8-16671000111.9I26 V42 F55 E59 A60 R61 Q65 S66 L67 V129I26-I63 HydrophobicContact CD1-CD1 3.72Å; I26-I63 HydrophobicContact CD1-CG1 4.08Å; I26-I63 HydrophobicContact CG1-CD1 4.16Å; V42-I63 HydrophobicContact CG1-CG1 4.33Å; F55-I63 HydrophobicContact CD1-CG2 4.48Å; F55-I63 HydrophobicContact CD2-CG2 4.32Å; F55-I63 HydrophobicContact CE1-CG1 4.35Å; F55-I63 HydrophobicContact CE2-CG2 4.36Å; F55-I63 HydrophobicContact CG-CG2 4.38Å; F55-I63 HydrophobicContact CZ-CG1 4.24Å; F55-I63 HydrophobicContact CZ-CG2 4.46Å; E59-I63 PolarHBondContact O-N 3.24Å; A60-I63 VanDerWaalsContact O-CG2 3.23Å; A60-I63 WeakPolarHBondContact O-CG2 3.42Å; R61-I63 PolarHBondContact O-N 2.97Å; I63-Q65 VanDerWaalsContact C-N 3.35Å; I63-S66 WeakPolarHBondContact CA-OG 3.35Å; I63-S66 PolarHBondContact O-N 3.47Å; I63-S66 PolarHBondContact O-OG 3.32Å; I63-L67 VanDerWaalsContact O-CG 3.31Å; I63-L67 WeakPolarHBondContact O-CG 3.46Å; I63-L67 PolarHBondContact O-N 2.85Å; I63-V129 HydrophobicContact CG2-CG1 3.56Å
64C97.6Very high97.7Very high0 Ų043.5 Ų43.50%025%0.246CC..Hα-helixtrans-62.3-45171-640000110.9A60 R61 S66 L67 G68 L69 C131A60-C64 PolarHBondContact O-N 2.91Å; R61-C64 PolarHBondContact O-N 3.38Å; C64-S66 PolarHBondContact O-N 3.13Å; C64-L67 CarbonylContact O-C 3.56Å; C64-L67 WeakPolarHBondContact O-CA 3.46Å; C64-L67 WeakPolarHBondContact O-CB 3.26Å; C64-L67 PolarHBondContact O-N 3.32Å; C64-G68 PolarHBondContact O-N 2.95Å; C64-L69 CarbonylContact C-O 3.53Å; C64-L69 HydrophobicContact CB-CB 4.37Å; C64-L69 CarbonylContact O-C 3.56Å; C64-L69 WeakPolarHBondContact O-CA 3.37Å; C64-L69 WeakPolarHBondContact O-CB 3.48Å; C64-L69 PolarHBondContact O-N 2.91Å; C64-C131 WeakPolarHBondContact CA-SG 3.37Å; C64-C131 HydrophobicContact CB-CB 3.82Å; C64-C131 WeakPolarHBondContact CB-SG 3.47Å; C64-C131 WeakPolarHBondContact SG-CA 3.32Å; C64-C131 WeakPolarHBondContact SG-CB 3.45Å; C64-C131 CovalentContact SG-SG 2.04Å; C64-C131 PolarHBondContact SG-SG 3.47Å
65Q97.3Very high97.7Very high118 Ų11846 Ų4655%0.55127%0.267SS*.Hα-helixtrans-62-40.6179.1-71.2171.1-16.500112.7R61 K62 I63 L67 G68 L69R61-Q65 WeakPolarHBondContact O-CG 3.49Å; R61-Q65 PolarHBondContact O-N 2.84Å; R61-Q65 VanDerWaalsContact O-N 3.14Å; K62-Q65 WeakPolarHBondContact O-CB 3.34Å; K62-Q65 PolarHBondContact O-N 3.47Å; I63-Q65 VanDerWaalsContact C-N 3.35Å; Q65-L67 PolarHBondContact O-N 3.2Å; Q65-G68 PolarHBondContact O-N 3.06Å; Q65-L69 WeakPolarHBondContact CA-O 3.41Å; Q65-L69 PolarHBondContact N-O 2.93Å
66S95.4Very high97.8Very high55 Ų5547.8 Ų47.839%0.38528%0.276SS..Hα-helixtrans-65.3-22.117660.60000113K62 I63 C64 G68K62-S66 PolarHBondContact O-N 3.39Å; K62-S66 PolarHBondContact O-OG 3.29Å; I63-S66 WeakPolarHBondContact CA-OG 3.35Å; I63-S66 PolarHBondContact O-N 3.47Å; I63-S66 PolarHBondContact O-OG 3.32Å; C64-S66 PolarHBondContact O-N 3.13Å; S66-G68 VanDerWaalsContact C-N 3.31Å
67L93.5Very high97.8Very high59 Ų5946 Ų4631%0.30927%0.266SS..THydrogen-bonded Turntrans-88.54.6173.1-62.5172.2000112.8T23 I26 V42 I63 C64 Q65 L69T23-L67 HydrophobicContact CG2-CD2 4.35Å; I26-L67 HydrophobicContact CG2-CD1 4.46Å; V42-L67 HydrophobicContact CG1-CD1 3.99Å; V42-L67 HydrophobicContact CG2-CD1 3.91Å; I63-L67 VanDerWaalsContact O-CG 3.31Å; I63-L67 WeakPolarHBondContact O-CG 3.46Å; I63-L67 PolarHBondContact O-N 2.85Å; C64-L67 CarbonylContact O-C 3.56Å; C64-L67 WeakPolarHBondContact O-CA 3.46Å; C64-L67 WeakPolarHBondContact O-CB 3.26Å; C64-L67 PolarHBondContact O-N 3.32Å; Q65-L67 PolarHBondContact O-N 3.2Å; L67-L69 VanDerWaalsContact C-N 3.26Å; L67-L69 HydrophobicContact CB-CD1 4.4Å; L67-L69 HydrophobicContact CB-CG 4.25Å; L67-L69 PolarHBondContact O-N 2.83Å
68G95.3Very high97.8Very high70 Ų7052.3 Ų52.372%0.72229%0.292SS*.THydrogen-bonded Turntrans72.319.4-175.100000113.7C64 Q65 S66C64-G68 PolarHBondContact O-N 2.95Å; Q65-G68 PolarHBondContact O-N 3.06Å; S66-G68 VanDerWaalsContact C-N 3.31Å
69L96.7Very high97.8Very high36 Ų3653 Ų5319%0.18829%0.289CS..  trans-113.3163.7-178.8-56.1-177.9000111.2C64 Q65 L67 C131 N133C64-L69 CarbonylContact C-O 3.53Å; C64-L69 HydrophobicContact CB-CB 4.37Å; C64-L69 CarbonylContact O-C 3.56Å; C64-L69 WeakPolarHBondContact O-CA 3.37Å; C64-L69 WeakPolarHBondContact O-CB 3.48Å; C64-L69 PolarHBondContact O-N 2.91Å; Q65-L69 WeakPolarHBondContact CA-O 3.41Å; Q65-L69 PolarHBondContact N-O 2.93Å; L67-L69 VanDerWaalsContact C-N 3.26Å; L67-L69 HydrophobicContact CB-CD1 4.4Å; L67-L69 HydrophobicContact CB-CG 4.25Å; L67-L69 PolarHBondContact O-N 2.83Å; L69-C131 HydrophobicContact CB-CB 3.94Å; L69-C131 HydrophobicContact CD1-CB 3.66Å; L69-C131 HydrophobicContact CG-CB 4.47Å; L69-N133 HydrophobicContact CD2-CB 3.66Å
70S98.4Very high97.8Very high54 Ų5450 Ų5038%0.37828%0.275SS..EExtended strand (participates in β ladder)trans-93.7159.2167.361.20000110.4C131 F132S70-C131 CarbonylContact O-C 3.46Å; S70-C131 VanDerWaalsContact O-CA 3.24Å; S70-C131 WeakPolarHBondContact O-CA 3.23Å; S70-F132 PolarHBondContact N-O 2.89Å; S70-F132 VanDerWaalsContact N-O 3.09Å; S70-F132 PolarHBondContact O-N 3.32Å; S70-F132 PolarHBondContact OG-O 2.91Å; S70-F132 VanDerWaalsContact OG-O 3.11Å
71I98.8Very high97.8Very high14 Ų1451 Ų517%0.07228%0.28CS..EExtended strand (participates in β ladder)trans-73.3134.3168.1-175.6168.1000108.6A60 R61 W92 D94 V129A60-I71 HydrophobicContact CB-CD1 4.37Å; R61-I71 HydrophobicContact CB-CD1 4.49Å; R61-I71 HydrophobicContact CB-CG2 4.4Å; R61-I71 HydrophobicContact CG-CG2 4.03Å; I71-W92 HydrophobicContact CD1-CB 4.46Å; I71-D94 HydrophobicContact CG2-CB 3.78Å; I71-D94 WeakPolarHBondContact CG2-OD1 3.4Å; I71-V129 HydrophobicContact CD1-CG2 3.79Å; I71-V129 HydrophobicContact CG1-CG2 3.86Å
72A98.8Very high97.8Very high0 Ų051.9 Ų51.90%030%0.297CS..PPolyproline II helixtrans-73.6137-177.800000111.1V39 Q76 V77 T93 D94 F130 F132V39-A72 HydrophobicContact CG1-CB 4.5Å; V39-A72 HydrophobicContact CG2-CB 4.43Å; A72-Q76 HydrophobicContact CB-CB 4.47Å; A72-V77 HydrophobicContact CB-CG2 3.83Å; A72-T93 CarbonylContact O-C 3.4Å; A72-T93 WeakPolarHBondContact O-CA 3.4Å; A72-T93 WeakPolarHBondContact O-CB 3.39Å; A72-D94 PolarHBondContact O-N 3.46Å; A72-F130 HydrophobicContact CB-CB 3.85Å; A72-F130 WeakPolarHBondContact CB-O 3.46Å; A72-F130 PolarHBondContact N-O 3.49Å; A72-F132 HydrophobicContact CB-CB 3.95Å
73S98.9Very high97.7Very high26 Ų2649.5 Ų49.518%0.18228%0.284CS..PPolyproline II helixtrans-71.5158.316664.60000111.2A75 Q76 V77 E95S73-A75 PolarHBondContact O-N 3.4Å; S73-Q76 PolarHBondContact O-N 2.93Å; S73-Q76 VanDerWaalsContact O-N 3.14Å; S73-Q76 VanDerWaalsContact OG-CD 3.29Å; S73-Q76 WeakPolarHBondContact OG-CG 3.33Å; S73-Q76 PolarHBondContact OG-N 2.96Å; S73-Q76 PolarHBondContact OG-OE1 3.44Å; S73-V77 WeakPolarHBondContact O-CG2 3.39Å; S73-V77 PolarHBondContact O-N 2.86Å; S73-E95 WeakPolarHBondContact CA-OE2 3.23Å
74K98.7Very high97.7Very high55 Ų5550.6 Ų50.624%0.23930%0.301CS..Hα-helixtrans-55.6-35.6171.9-69.4175.4-68.6176.60112.3V77 K78 T93 E95 I97 V99 L116 L118K74-V77 PolarHBondContact O-N 3.27Å; K74-K78 VanDerWaalsContact O-CB 3.32Å; K74-K78 WeakPolarHBondContact O-CB 3.19Å; K74-K78 PolarHBondContact O-N 3.24Å; K74-T93 HydrophobicContact CG-CG2 3.97Å; K74-E95 WeakPolarHBondContact CB-OE1 3.4Å; K74-E95 WeakPolarHBondContact CE-OE1 3.48Å; K74-E95 PolarHBondContact N-OE1 3.37Å; K74-E95 PolarHBondContact N-OE2 3.1Å; K74-I97 HydrophobicContact CD-CB 4.47Å; K74-I97 HydrophobicContact CD-CD1 4.28Å; K74-V99 HydrophobicContact CG-CG1 4.21Å; K74-L116 HydrophobicContact CB-CD2 4.06Å; K74-L116 WeakPolarHBondContact O-CD2 3.24Å; K74-L118 HydrophobicContact CD-CD2 4.46Å
75A98.7Very high97.7Very high69 Ų6950.7 Ų50.757%0.5730%0.302SS*.Hα-helixtrans-63.5-44.8178.800000111.4S73 K78 E79S73-A75 PolarHBondContact O-N 3.4Å; A75-K78 WeakPolarHBondContact O-CB 3.13Å; A75-K78 PolarHBondContact O-N 3.33Å; A75-E79 PolarHBondContact O-N 2.8Å
76Q98.8Very high97.8Very high54 Ų5447.5 Ų47.525%0.25229%0.287SS..Hα-helixtrans-64.5-42.8175.6-73.1157.5-34.500111.7V39 A72 S73 K78 E79 A80 F132V39-Q76 HydrophobicContact CG2-CB 4.08Å; A72-Q76 HydrophobicContact CB-CB 4.47Å; S73-Q76 PolarHBondContact O-N 2.93Å; S73-Q76 VanDerWaalsContact O-N 3.14Å; S73-Q76 VanDerWaalsContact OG-CD 3.29Å; S73-Q76 WeakPolarHBondContact OG-CG 3.33Å; S73-Q76 PolarHBondContact OG-N 2.96Å; S73-Q76 PolarHBondContact OG-OE1 3.44Å; Q76-K78 VanDerWaalsContact C-N 3.28Å; Q76-K78 PolarHBondContact O-N 3.42Å; Q76-E79 PolarHBondContact O-N 2.96Å; Q76-A80 WeakPolarHBondContact O-CB 3.45Å; Q76-A80 PolarHBondContact O-N 2.83Å; Q76-F132 HydrophobicContact CB-CD2 4.08Å; Q76-F132 HydrophobicContact CB-CE2 4.34Å; Q76-F132 HydrophobicContact CG-CD2 3.96Å; Q76-F132 HydrophobicContact CG-CE2 3.9Å; Q76-F132 HydrophobicContact CG-CG 4.4Å; Q76-F132 HydrophobicContact CG-CZ 4.31Å
77V98.8Very high97.9Very high0 Ų045.3 Ų45.30%027%0.271CS..Hα-helixtrans-64.1-35.3175.7-175.40000111.4V39 A72 S73 K74 A80 L81 T93 V99 P101 L116 F130V39-V77 HydrophobicContact CG1-CG2 4.28Å; A72-V77 HydrophobicContact CB-CG2 3.83Å; S73-V77 WeakPolarHBondContact O-CG2 3.39Å; S73-V77 PolarHBondContact O-N 2.86Å; K74-V77 PolarHBondContact O-N 3.27Å; V77-A80 PolarHBondContact O-N 2.93Å; V77-L81 WeakPolarHBondContact O-CB 3.39Å; V77-L81 PolarHBondContact O-N 3.44Å; V77-T93 HydrophobicContact CG2-CG2 4.16Å; V77-V99 HydrophobicContact CG1-CG2 4.13Å; V77-P101 HydrophobicContact CG1-CB 4.28Å; V77-P101 HydrophobicContact CG1-CG 4.21Å; V77-L116 HydrophobicContact CB-CD1 4.22Å; V77-L116 HydrophobicContact CG1-CD1 3.62Å; V77-F130 HydrophobicContact CG1-CD1 4.39Å; V77-F130 HydrophobicContact CG1-CD2 4.34Å; V77-F130 HydrophobicContact CG1-CE1 4.46Å; V77-F130 HydrophobicContact CG1-CE2 4.42Å; V77-F130 HydrophobicContact CG1-CG 4.33Å; V77-F130 HydrophobicContact CG1-CZ 4.49Å; V77-F130 HydrophobicContact CG2-CB 3.69Å; V77-F130 HydrophobicContact CG2-CD1 4.41Å; V77-F130 HydrophobicContact CG2-CD2 4.12Å; V77-F130 HydrophobicContact CG2-CG 3.82Å
78K98.7Very high98.1Very high138 Ų13845.1 Ų45.160%0.627%0.274SS*.Hα-helixtrans-66.9-41.1175.3-168.4-179.4178.4-174.20112.3K74 A75 Q76 L81 S82 L116K74-K78 VanDerWaalsContact O-CB 3.32Å; K74-K78 WeakPolarHBondContact O-CB 3.19Å; K74-K78 PolarHBondContact O-N 3.24Å; A75-K78 WeakPolarHBondContact O-CB 3.13Å; A75-K78 PolarHBondContact O-N 3.33Å; Q76-K78 VanDerWaalsContact C-N 3.28Å; Q76-K78 PolarHBondContact O-N 3.42Å; K78-L81 WeakPolarHBondContact O-CB 3.46Å; K78-L81 PolarHBondContact O-N 2.86Å; K78-S82 PolarHBondContact O-N 2.89Å; K78-S82 VanDerWaalsContact O-N 3.08Å; K78-L116 HydrophobicContact CB-CD2 4.19Å
79E98.4Very high98.2Very high78 Ų7844.1 Ų44.136%0.36425%0.249SC..Hα-helixtrans-62.6-46.4173.417461.2-160.900110.7A37 A75 Q76 L81 S82 R83A37-E79 HydrophobicContact CB-CG 3.9Å; A75-E79 PolarHBondContact O-N 2.8Å; Q76-E79 PolarHBondContact O-N 2.96Å; E79-L81 VanDerWaalsContact C-N 3.27Å; E79-L81 PolarHBondContact O-N 3.02Å; E79-S82 WeakPolarHBondContact CA-OG 3.22Å; E79-S82 PolarHBondContact O-N 3.31Å; E79-S82 VanDerWaalsContact O-N 3.09Å; E79-S82 PolarHBondContact O-OG 3.41Å; E79-R83 PolarHBondContact O-N 3.04Å; E79-R83 IonicContact OE1-CZ 3.71Å; E79-R83 VanDerWaalsContact OE1-CZ 3.28Å; E79-R83 IonicContact OE1-NE 3.04Å; E79-R83 PolarHBondContact OE1-NE 2.91Å; E79-R83 IonicContact OE1-NH2 3.83Å; E79-R83 PolarHBondContact OE1-NH2 3.46Å
80A98.5Very high98.3Very high0 Ų044.5 Ų44.50%025%0.248CC..Hα-helixtrans-58.4-40.6175.300000112.1T36 A37 V39 Q76 V77 S82 R83 G84 L85T36-A80 HydrophobicContact CG2-CB 4.32Å; T36-A80 VanDerWaalsContact CG2-O 3.3Å; T36-A80 WeakPolarHBondContact CG2-O 3.42Å; T36-A80 WeakPolarHBondContact O-CB 3.44Å; A37-A80 HydrophobicContact CB-CB 4.16Å; V39-A80 HydrophobicContact CB-CB 3.65Å; V39-A80 HydrophobicContact CG1-CB 4.28Å; V39-A80 HydrophobicContact CG2-CB 3.73Å; Q76-A80 WeakPolarHBondContact O-CB 3.45Å; Q76-A80 PolarHBondContact O-N 2.83Å; V77-A80 PolarHBondContact O-N 2.93Å; A80-S82 PolarHBondContact O-N 2.83Å; A80-R83 CarbonylContact O-C 3.56Å; A80-R83 WeakPolarHBondContact O-CA 3.19Å; A80-R83 PolarHBondContact O-N 3.33Å; A80-G84 PolarHBondContact O-N 3.42Å; A80-L85 VanDerWaalsContact C-CB 3.48Å; A80-L85 HydrophobicContact CB-CB 3.88Å; A80-L85 HydrophobicContact CB-CD2 3.6Å; A80-L85 HydrophobicContact CB-CG 4.38Å; A80-L85 VanDerWaalsContact O-CB 3.26Å; A80-L85 WeakPolarHBondContact O-CB 3.42Å; A80-L85 PolarHBondContact O-N 3.47Å
81L98.6Very high98.3Very high20 Ų2042 Ų4211%0.10523%0.23CC..Hα-helixtrans-59.7-43.4174.3169.963.7000112V77 K78 E79 R83 G84 L85 P101 I103 L116V77-L81 WeakPolarHBondContact O-CB 3.39Å; V77-L81 PolarHBondContact O-N 3.44Å; K78-L81 WeakPolarHBondContact O-CB 3.46Å; K78-L81 PolarHBondContact O-N 2.86Å; E79-L81 VanDerWaalsContact C-N 3.27Å; E79-L81 PolarHBondContact O-N 3.02Å; L81-R83 PolarHBondContact O-N 3.29Å; L81-R83 VanDerWaalsContact O-N 3.16Å; L81-G84 PolarHBondContact O-N 3.29Å; L81-L85 WeakPolarHBondContact CA-O 3.28Å; L81-L85 WeakPolarHBondContact CD1-O 3.08Å; L81-P101 HydrophobicContact CB-CB 4.01Å; L81-P101 HydrophobicContact CD1-CB 3.98Å; L81-P101 HydrophobicContact CD2-CB 4.26Å; L81-P101 HydrophobicContact CG-CB 4.31Å; L81-I103 HydrophobicContact CD1-CD1 4.36Å; L81-I103 HydrophobicContact CD1-CG1 3.46Å; L81-I103 VanDerWaalsContact CD1-CG1 3.46Å; L81-L116 HydrophobicContact CD2-CB 4.29Å
82S98.1Very high98.3Very high88 Ų8841.3 Ų41.362%0.61523%0.226SC*.Hα-helixtrans-64.1-17.4174.853.10000113.9K78 E79 A80K78-S82 PolarHBondContact O-N 2.89Å; K78-S82 VanDerWaalsContact O-N 3.08Å; E79-S82 WeakPolarHBondContact CA-OG 3.22Å; E79-S82 PolarHBondContact O-N 3.31Å; E79-S82 VanDerWaalsContact O-N 3.09Å; E79-S82 PolarHBondContact O-OG 3.41Å; A80-S82 PolarHBondContact O-N 2.83Å
83R97.1Very high98.3Very high82 Ų8241.4 Ų41.431%0.30923%0.227SC..THydrogen-bonded Turntrans-100.814.5174.9-59-164.6-167.6-135.5-9.1114T36 E79 A80 L81 T144T36-R83 HydrophobicContact CG2-CB 3.76Å; E79-R83 PolarHBondContact O-N 3.04Å; E79-R83 IonicContact OE1-CZ 3.71Å; E79-R83 VanDerWaalsContact OE1-CZ 3.28Å; E79-R83 IonicContact OE1-NE 3.04Å; E79-R83 PolarHBondContact OE1-NE 2.91Å; E79-R83 IonicContact OE1-NH2 3.83Å; E79-R83 PolarHBondContact OE1-NH2 3.46Å; A80-R83 CarbonylContact O-C 3.56Å; A80-R83 WeakPolarHBondContact O-CA 3.19Å; A80-R83 PolarHBondContact O-N 3.33Å; L81-R83 PolarHBondContact O-N 3.29Å; L81-R83 VanDerWaalsContact O-N 3.16Å; R83-T144 PolarHBondContact NH1-OG1 3.49Å
84G97.1Very high98.3Very high47 Ų4743.5 Ų43.549%0.48524%0.236SC..THydrogen-bonded Turntrans104.41.3173.200000115.6A80 L81 E86A80-G84 PolarHBondContact O-N 3.42Å; L81-G84 PolarHBondContact O-N 3.29Å; G84-E86 PolarHBondContact O-N 2.94Å
85L98.2Very high98.3Very high2 Ų244.6 Ų44.61%0.0124%0.242CC..  trans-70.3113.7176.4-173.470.3000110.5F29 T36 V39 A80 L81 P101 F130F29-L85 HydrophobicContact CD1-CD1 4.24Å; F29-L85 HydrophobicContact CE1-CD1 3.89Å; T36-L85 HydrophobicContact CG2-CB 3.92Å; V39-L85 HydrophobicContact CB-CD2 4.21Å; V39-L85 HydrophobicContact CG1-CD2 3.7Å; A80-L85 VanDerWaalsContact C-CB 3.48Å; A80-L85 HydrophobicContact CB-CB 3.88Å; A80-L85 HydrophobicContact CB-CD2 3.6Å; A80-L85 HydrophobicContact CB-CG 4.38Å; A80-L85 VanDerWaalsContact O-CB 3.26Å; A80-L85 WeakPolarHBondContact O-CB 3.42Å; A80-L85 PolarHBondContact O-N 3.47Å; L81-L85 WeakPolarHBondContact CA-O 3.28Å; L81-L85 WeakPolarHBondContact CD1-O 3.08Å; L85-P101 HydrophobicContact CD2-CG 4.41Å; L85-P101 HydrophobicContact CG-CG 4.41Å; L85-F130 HydrophobicContact CD2-CD1 4.45Å; L85-F130 HydrophobicContact CD2-CE1 4.26Å
86E97.9Very high98.3Very high50 Ų5046 Ų4623%0.23424%0.237CC..  trans-130.1138.2172.7171.7174.7131.200110.1G84 P101 R102 I103 H104G84-E86 PolarHBondContact O-N 2.94Å; E86-P101 WeakPolarHBondContact CA-O 3.25Å; E86-R102 VanDerWaalsContact CD-NH2 3.28Å; E86-R102 IonicContact OE1-CZ 3.73Å; E86-R102 IonicContact OE1-NH1 3.56Å; E86-R102 PolarHBondContact OE1-NH1 3.41Å; E86-R102 IonicContact OE1-NH2 3.47Å; E86-R102 PolarHBondContact OE1-NH2 2.9Å; E86-R102 IonicContact OE2-CZ 3.66Å; E86-R102 IonicContact OE2-NH2 3.28Å; E86-I103 HydrophobicContact CB-CD1 4.08Å; E86-I103 HydrophobicContact CB-CG1 4.15Å; E86-I103 WeakPolarHBondContact OE2-CA 3.46Å; E86-I103 VanDerWaalsContact OE2-CB 3.23Å; E86-I103 WeakPolarHBondContact OE2-CB 3.34Å; E86-I103 PolarHBondContact OE2-N 3.49Å; E86-H104 IonicContact OE2-CG 3.14Å; E86-H104 PolarHBondContact OE2-N 2.94Å; E86-H104 IonicContact OE2-ND1 2.76Å; E86-H104 PolarHBondContact OE2-ND1 3.45Å; E86-H104 VanDerWaalsContact OE2-ND1 3.1Å
87T97.6Very high98.2Very high9 Ų944.6 Ų44.66%0.05523%0.231CC..  trans-138.1167.8174.182.40000111.3F29 Q41 R89 I100 P101 R102 F130F29-T87 HydrophobicContact CD1-CG2 4.05Å; F29-T87 HydrophobicContact CE1-CG2 4.04Å; Q41-T87 VanDerWaalsContact OE1-CB 3.24Å; Q41-T87 PolarHBondContact OE1-OG1 3.29Å; T87-R89 PolarHBondContact OG1-O 3.44Å; T87-I100 VanDerWaalsContact O-CG2 3.31Å; T87-I100 WeakPolarHBondContact O-CG2 3.16Å; T87-P101 HydrophobicContact CG2-CG 4.16Å; T87-P101 PolarHBondContact N-O 3.27Å; T87-R102 WeakPolarHBondContact O-CD 3.42Å; T87-R102 PolarHBondContact O-NH1 3.32Å; T87-F130 HydrophobicContact CG2-CE1 4.19Å; T87-F130 HydrophobicContact CG2-CZ 4.4Å
88C97.4Very high98.2Very high55 Ų5544.6 Ų44.637%0.37223%0.231SC..SBendtrans-117.530.4170.8-1750000111.2C109C88-C109 HydrophobicContact CB-CB 3.83Å; C88-C109 WeakPolarHBondContact CB-SG 3.28Å; C88-C109 WeakPolarHBondContact SG-CB 3.06Å; C88-C109 CovalentContact SG-SG 2.01Å; C88-C109 PolarHBondContact SG-SG 3.39Å
89R97.8Very high98.2Very high50 Ų5038 Ų3819%0.18920%0.202CC..SBendtrans-134.8130.9-173.5-69.8-74.5-59.6-177.8-1.5109.8Q41 Q52 Y53 T87 G91 D128Q41-R89 PolarHBondContact NE2-O 2.99Å; Q52-R89 VanDerWaalsContact C-NH2 3.31Å; Y53-R89 HydrophobicContact CE1-CB 4.41Å; Y53-R89 VanDerWaalsContact CE1-NE 3.3Å; Y53-R89 VanDerWaalsContact CG-NH2 3.3Å; Y53-R89 WeakPolarHBondContact OH-CA 3.47Å; T87-R89 PolarHBondContact OG1-O 3.44Å; R89-G91 PolarHBondContact O-N 2.96Å; R89-D128 WeakPolarHBondContact CB-OD2 3.43Å; R89-D128 IonicContact CZ-OD1 3.64Å; R89-D128 IonicContact CZ-OD2 2.8Å; R89-D128 IonicContact NE-OD1 3.77Å; R89-D128 IonicContact NE-OD2 3.1Å; R89-D128 PolarHBondContact NE-OD2 3.14Å; R89-D128 IonicContact NH2-OD1 2.7Å; R89-D128 PolarHBondContact NH2-OD1 3.43Å; R89-D128 IonicContact NH2-OD2 3.8Å; R89-D128 PolarHBondContact NH2-OD2 3.29Å
90Y98.4Very high98.2Very high44 Ų4434.4 Ų34.417%0.17319%0.186CC..  trans-65.2129.1172.7-66-77.2000109.8Y53 V99 I100 W119 F127 D128Y53-Y90 VanDerWaalsContact CE1-O 3.3Å; Y53-Y90 WeakPolarHBondContact CE1-O 3.41Å; Y53-Y90 HydrophobicContact CE2-CD2 4.42Å; Y53-Y90 AromaticContact CZ-CD2 3.98Å; Y53-Y90 WeakPolarHBondContact OH-CD2 3.47Å; Y53-Y90 PolarHBondContact OH-N 2.76Å; Y90-V99 WeakPolarHBondContact CA-O 3.39Å; Y90-I100 HydrophobicContact CD1-CD1 3.44Å; Y90-I100 VanDerWaalsContact CD1-CD1 3.44Å; Y90-I100 HydrophobicContact CD1-CG1 3.41Å; Y90-I100 VanDerWaalsContact CD1-CG1 3.41Å; Y90-I100 HydrophobicContact CD2-CD1 3.95Å; Y90-I100 HydrophobicContact CE1-CD1 3.26Å; Y90-I100 HydrophobicContact CE1-CG1 3.65Å; Y90-I100 HydrophobicContact CE2-CD1 3.81Å; Y90-I100 HydrophobicContact CG-CD1 3.76Å; Y90-I100 HydrophobicContact CG-CG1 3.9Å; Y90-I100 VanDerWaalsContact CZ-CD1 3.45Å; Y90-W119 HydrophobicContact CD1-CB 3.72Å; Y90-W119 AromaticContact CD1-CG 3.86Å; Y90-W119 HydrophobicContact CD1-CG 3.86Å; Y90-W119 HydrophobicContact CE1-CB 3.61Å; Y90-W119 AromaticContact CE1-CD2 3.83Å; Y90-W119 HydrophobicContact CE1-CD2 3.83Å; Y90-W119 HydrophobicContact CE1-CE3 4.15Å; Y90-W119 AromaticContact CE1-CG 3.61Å; Y90-W119 HydrophobicContact CE1-CG 3.61Å; Y90-F127 VanDerWaalsContact CB-CD1 3.43Å; Y90-F127 HydrophobicContact CD2-CD1 4.38Å; Y90-F127 HydrophobicContact CD2-CE1 4.2Å; Y90-F127 HydrophobicContact CG-CD1 4.13Å; Y90-F127 HydrophobicContact CG-CE1 4.11Å; Y90-D128 WeakPolarHBondContact O-CB 3.25Å; Y90-D128 PolarHBondContact O-N 2.89Å
91G98.6Very high98.2Very high0 Ų034.4 Ų34.40%019%0.186CC..EExtended strand (participates in β ladder)trans-127.7137.9174.200000111.9R89 A98 V99 D128R89-G91 PolarHBondContact O-N 2.96Å; G91-A98 CarbonylContact O-C 3.52Å; G91-A98 VanDerWaalsContact O-CA 3.29Å; G91-A98 WeakPolarHBondContact O-CA 3.13Å; G91-V99 PolarHBondContact N-O 2.91Å; G91-V99 PolarHBondContact O-N 3.34Å; G91-D128 CarbonylContact C-O 3.55Å; G91-D128 WeakPolarHBondContact CA-O 3.4Å
92W98.9Very high98.2Very high0 Ų033.9 Ų33.90%018%0.182CC..EExtended strand (participates in β ladder)trans-63.7146.7172-72.8115.5000112.2F55 A57 A60 I71 Q96 A98 N125 F127 D128 V129 F130F55-W92 VanDerWaalsContact O-CD1 3.26Å; F55-W92 PolarHBondContact O-NE1 2.9Å; A57-W92 HydrophobicContact CB-CD2 4.06Å; A57-W92 HydrophobicContact CB-CE3 4.21Å; A57-W92 HydrophobicContact CB-CH2 4.42Å; A57-W92 HydrophobicContact CB-CZ2 4.24Å; A57-W92 HydrophobicContact CB-CZ3 4.41Å; A60-W92 HydrophobicContact CB-CB 3.75Å; A60-W92 HydrophobicContact CB-CG 3.93Å; I71-W92 HydrophobicContact CD1-CB 4.46Å; W92-Q96 VanDerWaalsContact CZ3-O 3.31Å; W92-Q96 WeakPolarHBondContact CZ3-O 3.35Å; W92-A98 HydrophobicContact CE3-CB 4.16Å; W92-A98 HydrophobicContact CZ3-CB 4.24Å; W92-N125 HydrophobicContact CZ2-CB 4.37Å; W92-N125 VanDerWaalsContact CZ2-O 3.3Å; W92-N125 WeakPolarHBondContact CZ2-O 3.34Å; W92-F127 HydrophobicContact CD2-CD2 4.08Å; W92-F127 AromaticContact CE2-CD2 3.49Å; W92-F127 VanDerWaalsContact CE2-CD2 3.49Å; W92-F127 HydrophobicContact CG-CB 4.48Å; W92-F127 AromaticContact CH2-CD2 3.98Å; W92-F127 HydrophobicContact CH2-CD2 3.98Å; W92-F127 AromaticContact CH2-CE2 3.99Å; W92-F127 HydrophobicContact CH2-CE2 3.99Å; W92-F127 AromaticContact CZ2-CD2 3.46Å; W92-F127 HydrophobicContact CZ2-CD2 3.46Å; W92-F127 VanDerWaalsContact CZ2-CD2 3.46Å; W92-F127 AromaticContact CZ2-CE2 3.8Å; W92-F127 HydrophobicContact CZ2-CE2 3.8Å; W92-F127 HydrophobicContact CZ3-CD2 4.48Å; W92-F127 AromaticContact NE1-CD2 3.76Å; W92-D128 PolarHBondContact N-O 3.48Å; W92-V129 HydrophobicContact CB-CB 4.47Å; W92-V129 HydrophobicContact CB-CG2 4.25Å; W92-F130 PolarHBondContact O-N 2.9Å
93T98.9Very high98.2Very high2 Ų233.1 Ų33.11%0.01217%0.17CC..  trans-118.2167.2170.557.60000110.1A72 K74 V77 E95 Q96 I97 V99A72-T93 CarbonylContact O-C 3.4Å; A72-T93 WeakPolarHBondContact O-CA 3.4Å; A72-T93 WeakPolarHBondContact O-CB 3.39Å; K74-T93 HydrophobicContact CG-CG2 3.97Å; V77-T93 HydrophobicContact CG2-CG2 4.16Å; T93-E95 WeakPolarHBondContact CB-OE2 3.11Å; T93-E95 PolarHBondContact O-N 3.43Å; T93-E95 PolarHBondContact OG1-OE2 3.12Å; T93-Q96 PolarHBondContact O-N 3.2Å; T93-I97 PolarHBondContact N-O 3.4Å; T93-I97 VanDerWaalsContact N-O 3.1Å; T93-I97 PolarHBondContact OG1-O 2.98Å; T93-V99 HydrophobicContact CG2-CB 4.47Å; T93-V99 HydrophobicContact CG2-CG1 4.05Å; T93-V99 HydrophobicContact CG2-CG2 3.58Å
94D98.6Very high98.2Very high71 Ų7135 Ų3538%0.3818%0.183SC..THydrogen-bonded Turntrans-58.5-32.5-178.2-167.839.4000112.9R61 I71 A72 Q96R61-D94 IonicContact CZ-OD1 2.81Å; R61-D94 IonicContact NE-OD1 2.76Å; R61-D94 PolarHBondContact NE-OD1 3.24Å; R61-D94 PolarHBondContact NH2-O 2.92Å; R61-D94 IonicContact NH2-OD1 3.24Å; R61-D94 PolarHBondContact NH2-OD1 2.88Å; I71-D94 HydrophobicContact CG2-CB 3.78Å; I71-D94 WeakPolarHBondContact CG2-OD1 3.4Å; A72-D94 PolarHBondContact O-N 3.46Å; D94-Q96 PolarHBondContact O-N 2.98Å
95E98.6Very high98.2Very high77 Ų7735.3 Ų35.336%0.3618%0.18SC..THydrogen-bonded Turntrans-73.210.4176.4-55.196.5132.900113.9S73 K74 T93 I97S73-E95 WeakPolarHBondContact CA-OE2 3.23Å; K74-E95 WeakPolarHBondContact CB-OE1 3.4Å; K74-E95 WeakPolarHBondContact CE-OE1 3.48Å; K74-E95 PolarHBondContact N-OE1 3.37Å; K74-E95 PolarHBondContact N-OE2 3.1Å; T93-E95 WeakPolarHBondContact CB-OE2 3.11Å; T93-E95 PolarHBondContact O-N 3.43Å; T93-E95 PolarHBondContact OG1-OE2 3.12Å; E95-I97 PolarHBondContact O-N 3.03Å
96Q98.5Very high98.1Very high99 Ų9938.8 Ų38.846%0.46320%0.199SC..SBendtrans57.835179.3-52.4175.47.200112.6A57 W92 T93 D94 V123A57-Q96 HydrophobicContact CB-CB 4.49Å; A57-Q96 HydrophobicContact CB-CG 4.47Å; W92-Q96 VanDerWaalsContact CZ3-O 3.31Å; W92-Q96 WeakPolarHBondContact CZ3-O 3.35Å; T93-Q96 PolarHBondContact O-N 3.2Å; D94-Q96 PolarHBondContact O-N 2.98Å; Q96-V123 HydrophobicContact CB-CG1 4.19Å
97I98.5Very high97.8Very high24 Ų2440.4 Ų40.412%0.12322%0.221CC..  trans-119.3131.2174.5-66167.9000107.3K74 T93 E95 V99 L118K74-I97 HydrophobicContact CD-CB 4.47Å; K74-I97 HydrophobicContact CD-CD1 4.28Å; T93-I97 PolarHBondContact N-O 3.4Å; T93-I97 VanDerWaalsContact N-O 3.1Å; T93-I97 PolarHBondContact OG1-O 2.98Å; E95-I97 PolarHBondContact O-N 3.03Å; I97-V99 HydrophobicContact CG2-CG1 4.24Å; I97-L118 HydrophobicContact CG2-CB 4.4Å; I97-L118 HydrophobicContact CG2-CD2 4.41Å; I97-L118 HydrophobicContact CG2-CG 4.46Å
98A98.6Very high97.6Very high0 Ų046.2 Ų46.20%025%0.251CS..EExtended strand (participates in β ladder)trans-78.6142.2171.800000109.5G91 W92 W119 F127G91-A98 CarbonylContact O-C 3.52Å; G91-A98 VanDerWaalsContact O-CA 3.29Å; G91-A98 WeakPolarHBondContact O-CA 3.13Å; W92-A98 HydrophobicContact CE3-CB 4.16Å; W92-A98 HydrophobicContact CZ3-CB 4.24Å; A98-W119 HydrophobicContact CB-CB 4.26Å; A98-W119 PolarHBondContact N-O 3.43Å; A98-W119 CarbonylContact O-C 3.55Å; A98-W119 WeakPolarHBondContact O-CA 3.37Å; A98-W119 WeakPolarHBondContact O-CB 3.4Å; A98-W119 PolarHBondContact O-N 2.99Å; A98-W119 VanDerWaalsContact O-O 3.12Å; A98-F127 HydrophobicContact CB-CD2 3.5Å; A98-F127 VanDerWaalsContact CB-CD2 3.5Å; A98-F127 HydrophobicContact CB-CE2 3.65Å; A98-F127 HydrophobicContact CB-CG 4.13Å; A98-F127 HydrophobicContact CB-CZ 4.37Å
99V98.7Very high97.5Very high0 Ų043.7 Ų43.70%024%0.235CC..EExtended strand (participates in β ladder)trans-135.3158.7-179.9-58.20000111.5K74 V77 Y90 G91 T93 I97 L116 V117 F130K74-V99 HydrophobicContact CG-CG1 4.21Å; V77-V99 HydrophobicContact CG1-CG2 4.13Å; Y90-V99 WeakPolarHBondContact CA-O 3.39Å; G91-V99 PolarHBondContact N-O 2.91Å; G91-V99 PolarHBondContact O-N 3.34Å; T93-V99 HydrophobicContact CG2-CB 4.47Å; T93-V99 HydrophobicContact CG2-CG1 4.05Å; T93-V99 HydrophobicContact CG2-CG2 3.58Å; I97-V99 HydrophobicContact CG2-CG1 4.24Å; V99-L116 HydrophobicContact CB-CD1 3.84Å; V99-L116 HydrophobicContact CB-CG 4.15Å; V99-L116 HydrophobicContact CG1-CD1 4.42Å; V99-L116 HydrophobicContact CG1-CD2 4.39Å; V99-L116 HydrophobicContact CG1-CG 4.28Å; V99-L116 HydrophobicContact CG2-CD1 3.82Å; V99-V117 CarbonylContact C-O 3.51Å; V99-V117 VanDerWaalsContact CA-O 3.25Å; V99-V117 WeakPolarHBondContact CA-O 3.33Å; V99-F130 HydrophobicContact CG2-CD2 3.87Å; V99-F130 HydrophobicContact CG2-CE2 3.64Å
100I98.4Very high97.2Very high3 Ų341.4 Ų41.42%0.01523%0.227CC..EExtended strand (participates in β ladder)trans-128.1114.1165.9-57-177.6000108.3T87 Y90 R102 V117T87-I100 VanDerWaalsContact O-CG2 3.31Å; T87-I100 WeakPolarHBondContact O-CG2 3.16Å; Y90-I100 HydrophobicContact CD1-CD1 3.44Å; Y90-I100 VanDerWaalsContact CD1-CD1 3.44Å; Y90-I100 HydrophobicContact CD1-CG1 3.41Å; Y90-I100 VanDerWaalsContact CD1-CG1 3.41Å; Y90-I100 HydrophobicContact CD2-CD1 3.95Å; Y90-I100 HydrophobicContact CE1-CD1 3.26Å; Y90-I100 HydrophobicContact CE1-CG1 3.65Å; Y90-I100 HydrophobicContact CE2-CD1 3.81Å; Y90-I100 HydrophobicContact CG-CD1 3.76Å; Y90-I100 HydrophobicContact CG-CG1 3.9Å; Y90-I100 VanDerWaalsContact CZ-CD1 3.45Å; I100-R102 HydrophobicContact CG2-CG 3.81Å; I100-V117 HydrophobicContact CB-CB 4.46Å; I100-V117 PolarHBondContact N-O 3.35Å; I100-V117 PolarHBondContact O-N 3.18Å
101P98.4Very high96.9Very high0 Ų044.1 Ų44.10%024%0.241CC..EExtended strand (participates in β ladder)trans-76121.5170.231.1-32.4000110.1V77 L81 L85 E86 T87 L116 F130V77-P101 HydrophobicContact CG1-CB 4.28Å; V77-P101 HydrophobicContact CG1-CG 4.21Å; L81-P101 HydrophobicContact CB-CB 4.01Å; L81-P101 HydrophobicContact CD1-CB 3.98Å; L81-P101 HydrophobicContact CD2-CB 4.26Å; L81-P101 HydrophobicContact CG-CB 4.31Å; L85-P101 HydrophobicContact CD2-CG 4.41Å; L85-P101 HydrophobicContact CG-CG 4.41Å; E86-P101 WeakPolarHBondContact CA-O 3.25Å; T87-P101 HydrophobicContact CG2-CG 4.16Å; T87-P101 PolarHBondContact N-O 3.27Å; P101-L116 HydrophobicContact CB-CD1 4.19Å; P101-F130 VanDerWaalsContact CD-CZ 3.47Å; P101-F130 HydrophobicContact CG-CE1 4.14Å; P101-F130 HydrophobicContact CG-CZ 3.84Å
102R98.2Very high96.8Very high8 Ų848.5 Ų48.53%0.0326%0.264CS..EExtended strand (participates in β ladder)trans-127.1123.7180-66.1-57.6-58.5155.69.9110.9E86 T87 I100 H104 K113 T114 G115 V117E86-R102 VanDerWaalsContact CD-NH2 3.28Å; E86-R102 IonicContact OE1-CZ 3.73Å; E86-R102 IonicContact OE1-NH1 3.56Å; E86-R102 PolarHBondContact OE1-NH1 3.41Å; E86-R102 IonicContact OE1-NH2 3.47Å; E86-R102 PolarHBondContact OE1-NH2 2.9Å; E86-R102 IonicContact OE2-CZ 3.66Å; E86-R102 IonicContact OE2-NH2 3.28Å; T87-R102 WeakPolarHBondContact O-CD 3.42Å; T87-R102 PolarHBondContact O-NH1 3.32Å; I100-R102 HydrophobicContact CG2-CG 3.81Å; R102-H104 PolarHBondContact NE-O 3.02Å; R102-H104 VanDerWaalsContact NE-O 3.15Å; R102-H104 PolarHBondContact NH2-O 3.42Å; R102-K113 WeakPolarHBondContact CB-O 3.47Å; R102-T114 CarbonylContact O-C 3.58Å; R102-G115 PolarHBondContact N-O 3.05Å; R102-G115 PolarHBondContact O-N 3.2Å; R102-V117 HydrophobicContact CG-CG2 4.33Å
103I98.1Very high96.7Very high72 Ų7253.9 Ų53.937%0.36929%0.288SS..SBendtrans-88.7-45.5169.1-58.9168.8000108.1L81 E86 T114L81-I103 HydrophobicContact CD1-CD1 4.36Å; L81-I103 HydrophobicContact CD1-CG1 3.46Å; L81-I103 VanDerWaalsContact CD1-CG1 3.46Å; E86-I103 HydrophobicContact CB-CD1 4.08Å; E86-I103 HydrophobicContact CB-CG1 4.15Å; E86-I103 WeakPolarHBondContact OE2-CA 3.46Å; E86-I103 VanDerWaalsContact OE2-CB 3.23Å; E86-I103 WeakPolarHBondContact OE2-CB 3.34Å; E86-I103 PolarHBondContact OE2-N 3.49Å; I103-T114 VanDerWaalsContact O-CG2 3.31Å; I103-T114 WeakPolarHBondContact O-CG2 3.38Å
104H97.3Very high96.7Very high122 Ų12257.9 Ų57.957%0.56531%0.312SS*.SBendtrans-102.6137.5-179.7-52.788.3000111.6E86 R102 L106E86-H104 IonicContact OE2-CG 3.14Å; E86-H104 PolarHBondContact OE2-N 2.94Å; E86-H104 IonicContact OE2-ND1 2.76Å; E86-H104 PolarHBondContact OE2-ND1 3.45Å; E86-H104 VanDerWaalsContact OE2-ND1 3.1Å; R102-H104 PolarHBondContact NE-O 3.02Å; R102-H104 VanDerWaalsContact NE-O 3.15Å; R102-H104 PolarHBondContact NH2-O 3.42Å; H104-L106 PolarHBondContact O-N 2.91Å
105A96.3Very high96.7Very high53 Ų5356 Ų5644%0.43831%0.309SS..  trans-68.1130171.500000109.2T114A105-T114 HydrophobicContact CB-CG2 4.02Å
106L95.9Very high96.6Very high75 Ų7553.9 Ų53.939%0.39330%0.3SS..BIsolated β-bridgetrans-143.5125.8-179.7-173.563000109H104 N108 C109 N112H104-L106 PolarHBondContact O-N 2.91Å; L106-N108 VanDerWaalsContact C-N 3.25Å; L106-N108 VanDerWaalsContact CG-OD1 3.27Å; L106-N108 WeakPolarHBondContact CG-OD1 3.39Å; L106-N108 PolarHBondContact O-N 3.34Å; L106-N108 VanDerWaalsContact O-N 3.15Å; L106-C109 HydrophobicContact CB-CB 4.11Å; L106-C109 HydrophobicContact CD2-CB 4.17Å; L106-C109 WeakPolarHBondContact CD2-SG 3.31Å; L106-C109 HydrophobicContact CG-CB 4.35Å; L106-C109 CarbonylContact O-C 3.57Å; L106-C109 PolarHBondContact O-N 3.47Å; L106-N112 PolarHBondContact N-OD1 3.49Å; L106-N112 PolarHBondContact O-N 2.93Å
107A91.4Very high96.6Very high85 Ų8549.7 Ų49.770%0.70228%0.281SS*.THydrogen-bonded Turntrans-57.7-36.6-167.100000113.6N112A107-N112 PolarHBondContact N-OD1 3.41Å
108N93.4Very high96.6Very high130 Ų13052.3 Ų52.370%0.69530%0.295SS*.THydrogen-bonded Turntrans-91.23179.861.6-39.4000114.2L106L106-N108 VanDerWaalsContact C-N 3.25Å; L106-N108 VanDerWaalsContact CG-OD1 3.27Å; L106-N108 WeakPolarHBondContact CG-OD1 3.39Å; L106-N108 PolarHBondContact O-N 3.34Å; L106-N108 VanDerWaalsContact O-N 3.15Å
109C95.3Very high96.5Very high3 Ų356.7 Ų56.72%0.0231%0.312CS..BIsolated β-bridgetrans-130.7126-177.5-52.80000111.2C88 L106 Q111 N112C88-C109 HydrophobicContact CB-CB 3.83Å; C88-C109 WeakPolarHBondContact CB-SG 3.28Å; C88-C109 WeakPolarHBondContact SG-CB 3.06Å; C88-C109 CovalentContact SG-SG 2.01Å; C88-C109 PolarHBondContact SG-SG 3.39Å; L106-C109 HydrophobicContact CB-CB 4.11Å; L106-C109 HydrophobicContact CD2-CB 4.17Å; L106-C109 WeakPolarHBondContact CD2-SG 3.31Å; L106-C109 HydrophobicContact CG-CB 4.35Å; L106-C109 CarbonylContact O-C 3.57Å; L106-C109 PolarHBondContact O-N 3.47Å; C109-Q111 PolarHBondContact O-N 3.03Å; C109-Q111 VanDerWaalsContact O-N 3.13Å; C109-N112 PolarHBondContact O-N 2.71Å
110G91.6Very high96.5Very high2 Ų266.5 Ų66.52%0.02135%0.349CS..G310 helixtrans59.927.1175.100000114.6N112 K113G110-N112 VanDerWaalsContact C-N 3.29Å; G110-N112 PolarHBondContact O-N 3.29Å; G110-K113 WeakPolarHBondContact O-CB 3.17Å; G110-K113 PolarHBondContact O-N 3.49Å; G110-K113 VanDerWaalsContact O-N 3.1Å
111Q93.3Very high96.3Very high100 Ų10067.3 Ų67.347%0.46736%0.356SS..G310 helixtrans55.739-178.5-56.4166.722.900113.5C109 K113C109-Q111 PolarHBondContact O-N 3.03Å; C109-Q111 VanDerWaalsContact O-N 3.13Å; Q111-K113 PolarHBondContact O-N 2.86Å; Q111-K113 VanDerWaalsContact O-N 3.13Å
112N96.1Very high96.3Very high93 Ų9371.1 Ų71.150%0.49738%0.381SS..G310 helixtrans60.519.9-178-155.247.9000114.3L106 A107 C109 G110L106-N112 PolarHBondContact N-OD1 3.49Å; L106-N112 PolarHBondContact O-N 2.93Å; A107-N112 PolarHBondContact N-OD1 3.41Å; C109-N112 PolarHBondContact O-N 2.71Å; G110-N112 VanDerWaalsContact C-N 3.29Å; G110-N112 PolarHBondContact O-N 3.29Å
113K96.8Very high96.4Very high112 Ų11274.1 Ų74.149%0.48740%0.4SS..  trans-96.5151.6176.3-62.5175.5-177.3168.50110.6R102 G110 Q111 V117R102-K113 WeakPolarHBondContact CB-O 3.47Å; G110-K113 WeakPolarHBondContact O-CB 3.17Å; G110-K113 PolarHBondContact O-N 3.49Å; G110-K113 VanDerWaalsContact O-N 3.1Å; Q111-K113 PolarHBondContact O-N 2.86Å; Q111-K113 VanDerWaalsContact O-N 3.13Å; K113-V117 HydrophobicContact CB-CG2 3.8Å
114T98.1Very high96.4Very high87 Ų8775.7 Ų75.753%0.53441%0.413SS..  trans-103.8170.7169.859.70000110.5R102 I103 A105R102-T114 CarbonylContact O-C 3.58Å; I103-T114 VanDerWaalsContact O-CG2 3.31Å; I103-T114 WeakPolarHBondContact O-CG2 3.38Å; A105-T114 HydrophobicContact CB-CG2 4.02Å
115G98.3Very high96.4Very high31 Ų3172.9 Ų72.932%0.3240%0.402SS..EExtended strand (participates in β ladder)trans84.5-164.8-174.100000112.4R102 V117R102-G115 PolarHBondContact N-O 3.05Å; R102-G115 PolarHBondContact O-N 3.2Å; G115-V117 PolarHBondContact O-N 3.27Å
116L98.4Very high96.5Very high32 Ų3276.1 Ų76.117%0.16840%0.403CS..EExtended strand (participates in β ladder)trans-81.9101.9173.2-169.869.5000108.4K74 V77 K78 L81 V99 P101 L118K74-L116 HydrophobicContact CB-CD2 4.06Å; K74-L116 WeakPolarHBondContact O-CD2 3.24Å; V77-L116 HydrophobicContact CB-CD1 4.22Å; V77-L116 HydrophobicContact CG1-CD1 3.62Å; K78-L116 HydrophobicContact CB-CD2 4.19Å; L81-L116 HydrophobicContact CD2-CB 4.29Å; V99-L116 HydrophobicContact CB-CD1 3.84Å; V99-L116 HydrophobicContact CB-CG 4.15Å; V99-L116 HydrophobicContact CG1-CD1 4.42Å; V99-L116 HydrophobicContact CG1-CD2 4.39Å; V99-L116 HydrophobicContact CG1-CG 4.28Å; V99-L116 HydrophobicContact CG2-CD1 3.82Å; P101-L116 HydrophobicContact CB-CD1 4.19Å; L116-L118 WeakPolarHBondContact O-CD1 3.5Å; L116-L118 PolarHBondContact O-N 2.92Å
117V98.3Very high96.7Very high11 Ų1173.2 Ų73.27%0.06739%0.387CS..EExtended strand (participates in β ladder)trans-82.1115.8-179-1750000109.2V99 I100 R102 K113 G115V99-V117 CarbonylContact C-O 3.51Å; V99-V117 VanDerWaalsContact CA-O 3.25Å; V99-V117 WeakPolarHBondContact CA-O 3.33Å; I100-V117 HydrophobicContact CB-CB 4.46Å; I100-V117 PolarHBondContact N-O 3.35Å; I100-V117 PolarHBondContact O-N 3.18Å; R102-V117 HydrophobicContact CG-CG2 4.33Å; K113-V117 HydrophobicContact CB-CG2 3.8Å; G115-V117 PolarHBondContact O-N 3.27Å
118L97.9Very high97Very high79 Ų7969.1 Ų69.141%0.41435%0.354SS..EExtended strand (participates in β ladder)trans-82.7137.7179-7280.2000111.3K74 I97 L116K74-L118 HydrophobicContact CD-CD2 4.46Å; I97-L118 HydrophobicContact CG2-CB 4.4Å; I97-L118 HydrophobicContact CG2-CD2 4.41Å; I97-L118 HydrophobicContact CG2-CG 4.46Å; L116-L118 WeakPolarHBondContact O-CD1 3.5Å; L116-L118 PolarHBondContact O-N 2.92Å
119W97.3Very high97.3Very high93 Ų9363 Ų6335%0.35232%0.321SS..EExtended strand (participates in β ladder)trans-129.2101.7173.8-173.2-98.7000109.9Y90 A98 A121 F127Y90-W119 HydrophobicContact CD1-CB 3.72Å; Y90-W119 AromaticContact CD1-CG 3.86Å; Y90-W119 HydrophobicContact CD1-CG 3.86Å; Y90-W119 HydrophobicContact CE1-CB 3.61Å; Y90-W119 AromaticContact CE1-CD2 3.83Å; Y90-W119 HydrophobicContact CE1-CD2 3.83Å; Y90-W119 HydrophobicContact CE1-CE3 4.15Å; Y90-W119 AromaticContact CE1-CG 3.61Å; Y90-W119 HydrophobicContact CE1-CG 3.61Å; A98-W119 HydrophobicContact CB-CB 4.26Å; A98-W119 PolarHBondContact N-O 3.43Å; A98-W119 CarbonylContact O-C 3.55Å; A98-W119 WeakPolarHBondContact O-CA 3.37Å; A98-W119 WeakPolarHBondContact O-CB 3.4Å; A98-W119 PolarHBondContact O-N 2.99Å; A98-W119 VanDerWaalsContact O-O 3.12Å; W119-A121 PolarHBondContact O-N 3.03Å; W119-F127 AromaticContact CD1-CZ 3.61Å; W119-F127 AromaticContact NE1-CZ 3.62Å
120R96.9Very high97.5Very high205 Ų20562.8 Ų62.877%0.77432%0.32SS*.  trans-81.6113.7175.7-65.6-172.7-178.499.6-2.8108.6
121A95.9Very high97.8Very high21 Ų2162.7 Ų62.717%0.17432%0.319CS..  trans-132.5160.1177.300000109.9W119 N125 F127W119-A121 PolarHBondContact O-N 3.03Å; A121-N125 HydrophobicContact CB-CB 4.23Å; A121-F127 HydrophobicContact CB-CE2 3.73Å; A121-F127 HydrophobicContact CB-CZ 3.95Å
122P98.5Very high98Very high80 Ų8059 Ų5952%0.51930%0.301SS..  trans-53.3141.1170.3-24.434.2000111.2T124 N125P122-T124 PolarHBondContact O-N 3.25Å; P122-N125 VanDerWaalsContact O-CB 3.31Å; P122-N125 WeakPolarHBondContact O-CB 3.49Å; P122-N125 PolarHBondContact O-N 2.76Å
123V98.4Very high98.1Very high71 Ų7156.5 Ų56.543%0.4329%0.288SS..THydrogen-bonded Turntrans-61.7-15.9-179-62.80000113.8N56 A57 Q96N56-V123 WeakPolarHBondContact CB-O 3.44Å; A57-V123 HydrophobicContact CB-CB 3.95Å; A57-V123 HydrophobicContact CB-CG1 4.29Å; A57-V123 PolarHBondContact N-O 3.47Å; Q96-V123 HydrophobicContact CB-CG1 4.19Å
124T98.4Very high98.1Very high104 Ų10457.6 Ų57.664%0.63830%0.295SS*.THydrogen-bonded Turntrans-81.7-17.1175.452.50000113.4P122P122-T124 PolarHBondContact O-N 3.25Å
125N98.6Very high97.9Very high63 Ų6357.2 Ų57.234%0.33730%0.295SS..SBendtrans-61.6149.2175.2-78.227.9000110N56 W92 A121 P122 F127N56-N125 WeakPolarHBondContact CA-O 3.46Å; W92-N125 HydrophobicContact CZ2-CB 4.37Å; W92-N125 VanDerWaalsContact CZ2-O 3.3Å; W92-N125 WeakPolarHBondContact CZ2-O 3.34Å; A121-N125 HydrophobicContact CB-CB 4.23Å; P122-N125 VanDerWaalsContact O-CB 3.31Å; P122-N125 WeakPolarHBondContact O-CB 3.49Å; P122-N125 PolarHBondContact O-N 2.76Å; N125-F127 HydrophobicContact CB-CD2 4.49Å; N125-F127 HydrophobicContact CB-CE2 3.82Å; N125-F127 HydrophobicContact CB-CZ 4.11Å
126R98.6Very high97.7Very high121 Ų12157.7 Ų57.746%0.45729%0.291SS..  trans-97.9132.8178.5-52.3-170.893.690.44.3109.4Y53 A54 F55 E59Y53-R126 WeakPolarHBondContact CB-O 3.38Å; Y53-R126 VanDerWaalsContact O-CB 3.29Å; Y53-R126 WeakPolarHBondContact O-CB 3.11Å; A54-R126 PolarHBondContact O-NE 2.85Å; A54-R126 PolarHBondContact O-NH2 3.21Å; F55-R126 CarbonylContact O-C 3.59Å; F55-R126 VanDerWaalsContact O-CA 3.32Å; F55-R126 WeakPolarHBondContact O-CA 3.48Å; E59-R126 IonicContact OE1-NH2 3.86Å; E59-R126 PolarHBondContact OE1-NH2 3.26Å; E59-R126 IonicContact OE2-CZ 3.32Å; E59-R126 IonicContact OE2-NH1 3.97Å; E59-R126 IonicContact OE2-NH2 2.83Å; E59-R126 PolarHBondContact OE2-NH2 3.11Å
127F98.7Very high97.6Very high14 Ų1456.7 Ų56.76%0.06129%0.287CS..BIsolated β-bridgetrans-140.5-174.4172.9-64.1-57.1000110.2Y53 A54 F55 Y90 W92 A98 W119 A121 N125Y53-F127 HydrophobicContact CD1-CB 4.19Å; Y53-F127 HydrophobicContact CD1-CD1 4.15Å; Y53-F127 HydrophobicContact CE1-CD1 4.27Å; Y53-F127 HydrophobicContact CG-CD1 4.3Å; A54-F127 PolarHBondContact N-O 2.75Å; F55-F127 PolarHBondContact N-O 3.48Å; F55-F127 PolarHBondContact O-N 3.45Å; Y90-F127 VanDerWaalsContact CB-CD1 3.43Å; Y90-F127 HydrophobicContact CD2-CD1 4.38Å; Y90-F127 HydrophobicContact CD2-CE1 4.2Å; Y90-F127 HydrophobicContact CG-CD1 4.13Å; Y90-F127 HydrophobicContact CG-CE1 4.11Å; W92-F127 HydrophobicContact CD2-CD2 4.08Å; W92-F127 AromaticContact CE2-CD2 3.49Å; W92-F127 VanDerWaalsContact CE2-CD2 3.49Å; W92-F127 HydrophobicContact CG-CB 4.48Å; W92-F127 AromaticContact CH2-CD2 3.98Å; W92-F127 HydrophobicContact CH2-CD2 3.98Å; W92-F127 AromaticContact CH2-CE2 3.99Å; W92-F127 HydrophobicContact CH2-CE2 3.99Å; W92-F127 AromaticContact CZ2-CD2 3.46Å; W92-F127 HydrophobicContact CZ2-CD2 3.46Å; W92-F127 VanDerWaalsContact CZ2-CD2 3.46Å; W92-F127 AromaticContact CZ2-CE2 3.8Å; W92-F127 HydrophobicContact CZ2-CE2 3.8Å; W92-F127 HydrophobicContact CZ3-CD2 4.48Å; W92-F127 AromaticContact NE1-CD2 3.76Å; A98-F127 HydrophobicContact CB-CD2 3.5Å; A98-F127 VanDerWaalsContact CB-CD2 3.5Å; A98-F127 HydrophobicContact CB-CE2 3.65Å; A98-F127 HydrophobicContact CB-CG 4.13Å; A98-F127 HydrophobicContact CB-CZ 4.37Å; W119-F127 AromaticContact CD1-CZ 3.61Å; W119-F127 AromaticContact NE1-CZ 3.62Å; A121-F127 HydrophobicContact CB-CE2 3.73Å; A121-F127 HydrophobicContact CB-CZ 3.95Å; N125-F127 HydrophobicContact CB-CD2 4.49Å; N125-F127 HydrophobicContact CB-CE2 3.82Å; N125-F127 HydrophobicContact CB-CZ 4.11Å
128D98.7Very high97.4Very high0 Ų060.1 Ų60.10%030%0.304CS..EExtended strand (participates in β ladder)trans-80.8-170.2164.1-63.1-10.8000108.2Q41 V42 S43 Y53 R89 Y90 G91 W92Q41-D128 HydrophobicContact CG-CB 4.32Å; V42-D128 WeakPolarHBondContact O-CB 3.24Å; S43-D128 PolarHBondContact OG-OD2 3.26Å; Y53-D128 WeakPolarHBondContact CD1-OD1 3.44Å; R89-D128 WeakPolarHBondContact CB-OD2 3.43Å; R89-D128 IonicContact CZ-OD1 3.64Å; R89-D128 IonicContact CZ-OD2 2.8Å; R89-D128 IonicContact NE-OD1 3.77Å; R89-D128 IonicContact NE-OD2 3.1Å; R89-D128 PolarHBondContact NE-OD2 3.14Å; R89-D128 IonicContact NH2-OD1 2.7Å; R89-D128 PolarHBondContact NH2-OD1 3.43Å; R89-D128 IonicContact NH2-OD2 3.8Å; R89-D128 PolarHBondContact NH2-OD2 3.29Å; Y90-D128 WeakPolarHBondContact O-CB 3.25Å; Y90-D128 PolarHBondContact O-N 2.89Å; G91-D128 CarbonylContact C-O 3.55Å; G91-D128 WeakPolarHBondContact CA-O 3.4Å; W92-D128 PolarHBondContact N-O 3.48Å
129V98.8Very high97.2Very high0 Ų061 Ų610%031%0.308CS..EExtended strand (participates in β ladder)trans-140.3148.7174.1630000111.4Q41 V42 F55 A60 I63 I71 W92Q41-V129 CarbonylContact C-O 3.12Å; Q41-V129 WeakPolarHBondContact CA-O 3.48Å; V42-V129 HydrophobicContact CB-CG1 3.78Å; V42-V129 HydrophobicContact CG1-CG1 4.45Å; V42-V129 PolarHBondContact N-O 3.42Å; V42-V129 PolarHBondContact O-N 3.42Å; F55-V129 HydrophobicContact CD2-CG1 4.25Å; A60-V129 HydrophobicContact CB-CB 3.78Å; A60-V129 HydrophobicContact CB-CG2 3.68Å; I63-V129 HydrophobicContact CG2-CG1 3.56Å; I71-V129 HydrophobicContact CD1-CG2 3.79Å; I71-V129 HydrophobicContact CG1-CG2 3.86Å; W92-V129 HydrophobicContact CB-CB 4.47Å; W92-V129 HydrophobicContact CB-CG2 4.25Å
130F98.9Very high96.9Very high0 Ų059 Ų590%030%0.303CS..EExtended strand (participates in β ladder)trans-95.5124164.8-66.7-77.9000109.6V39 T40 Q41 A72 V77 L85 T87 W92 V99 P101V39-F130 HydrophobicContact CG1-CB 4.19Å; V39-F130 HydrophobicContact CG1-CD1 3.91Å; V39-F130 HydrophobicContact CG1-CG 4.44Å; T40-F130 CarbonylContact O-C 3.45Å; T40-F130 VanDerWaalsContact O-CA 3.29Å; T40-F130 WeakPolarHBondContact O-CA 3.48Å; Q41-F130 HydrophobicContact CB-CD1 3.95Å; Q41-F130 HydrophobicContact CB-CE1 3.73Å; Q41-F130 HydrophobicContact CG-CD1 4.48Å; Q41-F130 HydrophobicContact CG-CE1 4.11Å; Q41-F130 HydrophobicContact CG-CZ 4.49Å; A72-F130 HydrophobicContact CB-CB 3.85Å; A72-F130 WeakPolarHBondContact CB-O 3.46Å; A72-F130 PolarHBondContact N-O 3.49Å; V77-F130 HydrophobicContact CG1-CD1 4.39Å; V77-F130 HydrophobicContact CG1-CD2 4.34Å; V77-F130 HydrophobicContact CG1-CE1 4.46Å; V77-F130 HydrophobicContact CG1-CE2 4.42Å; V77-F130 HydrophobicContact CG1-CG 4.33Å; V77-F130 HydrophobicContact CG1-CZ 4.49Å; V77-F130 HydrophobicContact CG2-CB 3.69Å; V77-F130 HydrophobicContact CG2-CD1 4.41Å; V77-F130 HydrophobicContact CG2-CD2 4.12Å; V77-F130 HydrophobicContact CG2-CG 3.82Å; L85-F130 HydrophobicContact CD2-CD1 4.45Å; L85-F130 HydrophobicContact CD2-CE1 4.26Å; T87-F130 HydrophobicContact CG2-CE1 4.19Å; T87-F130 HydrophobicContact CG2-CZ 4.4Å; W92-F130 PolarHBondContact O-N 2.9Å; V99-F130 HydrophobicContact CG2-CD2 3.87Å; V99-F130 HydrophobicContact CG2-CE2 3.64Å; P101-F130 VanDerWaalsContact CD-CZ 3.47Å; P101-F130 HydrophobicContact CG-CE1 4.14Å; P101-F130 HydrophobicContact CG-CZ 3.84Å
131C98.6Very high96.6Very high0 Ų053.5 Ų53.50%029%0.288CS..EExtended strand (participates in β ladder)trans-105157173.8-55.10000110.2V39 T40 V42 C64 L69 S70V39-C131 WeakPolarHBondContact CA-O 3.04Å; T40-C131 PolarHBondContact N-O 3.09Å; T40-C131 PolarHBondContact O-N 2.78Å; V42-C131 HydrophobicContact CG2-CB 4.29Å; V42-C131 WeakPolarHBondContact CG2-SG 3.43Å; C64-C131 WeakPolarHBondContact CA-SG 3.37Å; C64-C131 HydrophobicContact CB-CB 3.82Å; C64-C131 WeakPolarHBondContact CB-SG 3.47Å; C64-C131 WeakPolarHBondContact SG-CA 3.32Å; C64-C131 WeakPolarHBondContact SG-CB 3.45Å; C64-C131 CovalentContact SG-SG 2.04Å; C64-C131 PolarHBondContact SG-SG 3.47Å; L69-C131 HydrophobicContact CB-CB 3.94Å; L69-C131 HydrophobicContact CD1-CB 3.66Å; L69-C131 HydrophobicContact CG-CB 4.47Å; S70-C131 CarbonylContact O-C 3.46Å; S70-C131 VanDerWaalsContact O-CA 3.24Å; S70-C131 WeakPolarHBondContact O-CA 3.23Å
132F98.6Very high96.5Very high23 Ų2358.8 Ų58.810%0.10131%0.307CS..EExtended strand (participates in β ladder)trans-128.1126.3-177.3-179.6-104000111.2A37 G38 V39 S70 A72 Q76 E134 A137A37-F132 WeakPolarHBondContact O-CE2 3.37Å; G38-F132 CarbonylContact O-C 3.57Å; G38-F132 WeakPolarHBondContact O-CA 3.36Å; V39-F132 HydrophobicContact CG2-CD2 3.99Å; S70-F132 PolarHBondContact N-O 2.89Å; S70-F132 VanDerWaalsContact N-O 3.09Å; S70-F132 PolarHBondContact O-N 3.32Å; S70-F132 PolarHBondContact OG-O 2.91Å; S70-F132 VanDerWaalsContact OG-O 3.11Å; A72-F132 HydrophobicContact CB-CB 3.95Å; Q76-F132 HydrophobicContact CB-CD2 4.08Å; Q76-F132 HydrophobicContact CB-CE2 4.34Å; Q76-F132 HydrophobicContact CG-CD2 3.96Å; Q76-F132 HydrophobicContact CG-CE2 3.9Å; Q76-F132 HydrophobicContact CG-CG 4.4Å; Q76-F132 HydrophobicContact CG-CZ 4.31Å; F132-E134 HydrophobicContact CD1-CB 4.43Å; F132-E134 HydrophobicContact CE1-CB 3.8Å; F132-E134 HydrophobicContact CE1-CG 4.3Å; F132-A137 HydrophobicContact CE2-CB 3.69Å; F132-A137 HydrophobicContact CZ-CB 3.55Å
133N97.6Very high96Very high40 Ų4058.9 Ų58.921%0.21430%0.304CS..  trans-104.5106.1171.7-173-16.4000109.2G38 L69 S135 D136 A137G38-N133 WeakPolarHBondContact CA-O 3.21Å; G38-N133 PolarHBondContact O-N 2.96Å; L69-N133 HydrophobicContact CD2-CB 3.66Å; N133-S135 VanDerWaalsContact C-N 3.35Å; N133-S135 PolarHBondContact O-N 2.77Å; N133-S135 PolarHBondContact OD1-N 2.95Å; N133-S135 VanDerWaalsContact OD1-N 3.15Å; N133-D136 HydrophobicContact CB-CB 4.06Å; N133-D136 VanDerWaalsContact CG-CG 3.41Å; N133-D136 PolarHBondContact ND2-OD1 3.36Å; N133-D136 PolarHBondContact ND2-OD2 3.26Å; N133-D136 PolarHBondContact O-N 3.45Å; N133-D136 PolarHBondContact OD1-N 3.05Å; N133-A137 PolarHBondContact O-N 2.99Å; N133-A137 VanDerWaalsContact O-N 3.14Å
134E96.3Very high95.2Very high135 Ų13558.7 Ų58.763%0.63130%0.302SS*.Hα-helixtrans-64.4-38.7-178.6-175.4171.6-160.500112.6F132 D136 A137 I138F132-E134 HydrophobicContact CD1-CB 4.43Å; F132-E134 HydrophobicContact CE1-CB 3.8Å; F132-E134 HydrophobicContact CE1-CG 4.3Å; E134-D136 PolarHBondContact O-N 3.05Å; E134-A137 PolarHBondContact O-N 3.31Å; E134-I138 HydrophobicContact CG-CD1 4.03Å; E134-I138 WeakPolarHBondContact O-CG1 3.48Å; E134-I138 PolarHBondContact O-N 3.47Å
135S94.6Very high94.5Very high78 Ų7859 Ų5955%0.54530%0.304SS..Hα-helixtrans-61.8-46.1179.3-59.30000111.1N133 A137 I138 I139N133-S135 VanDerWaalsContact C-N 3.35Å; N133-S135 PolarHBondContact O-N 2.77Å; N133-S135 PolarHBondContact OD1-N 2.95Å; N133-S135 VanDerWaalsContact OD1-N 3.15Å; S135-A137 PolarHBondContact O-N 3.49Å; S135-I138 PolarHBondContact O-N 3.38Å; S135-I139 VanDerWaalsContact O-CG1 3.32Å; S135-I139 WeakPolarHBondContact O-CG1 3.49Å; S135-I139 PolarHBondContact O-N 3.15Å
136D94.5Very high93.6Very high42 Ų4261.4 Ų61.423%0.22532%0.321CS..Hα-helixtrans-65.3-40.1179-68.73.4000111.7S35 N133 E134 I138 I139 Q140S35-D136 WeakPolarHBondContact OG-CB 3.22Å; S35-D136 PolarHBondContact OG-OD2 3.47Å; N133-D136 HydrophobicContact CB-CB 4.06Å; N133-D136 VanDerWaalsContact CG-CG 3.41Å; N133-D136 PolarHBondContact ND2-OD1 3.36Å; N133-D136 PolarHBondContact ND2-OD2 3.26Å; N133-D136 PolarHBondContact O-N 3.45Å; N133-D136 PolarHBondContact OD1-N 3.05Å; E134-D136 PolarHBondContact O-N 3.05Å; D136-I138 VanDerWaalsContact C-N 3.33Å; D136-I138 PolarHBondContact O-N 3.45Å; D136-I139 PolarHBondContact O-N 3.33Å; D136-Q140 WeakPolarHBondContact O-CG 3.5Å; D136-Q140 PolarHBondContact O-N 3.42Å
137A95.3Very high92.1Very high11 Ų1161.6 Ų61.69%0.09133%0.331CS..Hα-helixtrans-58.7-46.7176.600000111F132 N133 E134 S135 I139 Q140 L141F132-A137 HydrophobicContact CE2-CB 3.69Å; F132-A137 HydrophobicContact CZ-CB 3.55Å; N133-A137 PolarHBondContact O-N 2.99Å; N133-A137 VanDerWaalsContact O-N 3.14Å; E134-A137 PolarHBondContact O-N 3.31Å; S135-A137 PolarHBondContact O-N 3.49Å; A137-I139 PolarHBondContact O-N 3.14Å; A137-Q140 PolarHBondContact O-N 2.99Å; A137-L141 WeakPolarHBondContact O-CD1 3.45Å; A137-L141 PolarHBondContact O-N 3.31Å
138I94.7Very high90.1Very high83 Ų8366.6 Ų66.643%0.42636%0.359SS..Hα-helixtrans-62.5-42.6178.9-67.9167.1000111.4E134 S135 D136 L141 K142E134-I138 HydrophobicContact CG-CD1 4.03Å; E134-I138 WeakPolarHBondContact O-CG1 3.48Å; E134-I138 PolarHBondContact O-N 3.47Å; S135-I138 PolarHBondContact O-N 3.38Å; D136-I138 VanDerWaalsContact C-N 3.33Å; D136-I138 PolarHBondContact O-N 3.45Å; I138-L141 PolarHBondContact O-N 3.48Å; I138-K142 PolarHBondContact O-N 3.47Å
139I93Very high88.1Confident96 Ų9672.5 Ų72.549%0.49240%0.397SS..Hα-helixtrans-61.9-50.1178.8-68.4165.2000110.2S135 D136 A137 L141 K142 D143S135-I139 VanDerWaalsContact O-CG1 3.32Å; S135-I139 WeakPolarHBondContact O-CG1 3.49Å; S135-I139 PolarHBondContact O-N 3.15Å; D136-I139 PolarHBondContact O-N 3.33Å; A137-I139 PolarHBondContact O-N 3.14Å; I139-L141 VanDerWaalsContact C-N 3.28Å; I139-L141 PolarHBondContact O-N 2.94Å; I139-K142 WeakPolarHBondContact O-CB 3.41Å; I139-K142 PolarHBondContact O-N 3.2Å; I139-D143 PolarHBondContact O-N 2.81Å; I139-D143 VanDerWaalsContact O-N 3.09Å
140Q92.1Very high85.6Confident52 Ų5280.3 Ų80.324%0.24344%0.438CS..Hα-helixtrans-64.6-31.5-179.9-68.7-178.923.400113.1S35 D136 A137 T144S35-Q140 PolarHBondContact O-NE2 3.05Å; D136-Q140 WeakPolarHBondContact O-CG 3.5Å; D136-Q140 PolarHBondContact O-N 3.42Å; A137-Q140 PolarHBondContact O-N 2.99Å; Q140-T144 PolarHBondContact O-N 3.06Å; Q140-T144 VanDerWaalsContact O-N 3.16Å; Q140-T144 PolarHBondContact O-OG1 3.17Å
141L90.8Very high82.9Confident89 Ų8985.7 Ų85.747%0.46648%0.475SS..Hα-helixtrans-62.5-44.6171.9-100.379.5000111.4A137 I138 I139 T144 V145A137-L141 WeakPolarHBondContact O-CD1 3.45Å; A137-L141 PolarHBondContact O-N 3.31Å; I138-L141 PolarHBondContact O-N 3.48Å; I139-L141 VanDerWaalsContact C-N 3.28Å; I139-L141 PolarHBondContact O-N 2.94Å; L141-T144 WeakPolarHBondContact O-CB 3.32Å; L141-T144 PolarHBondContact O-N 2.98Å; L141-V145 WeakPolarHBondContact O-CG2 3.48Å; L141-V145 PolarHBondContact O-N 3.26Å
142K92.5Very high80.2Confident133 Ų13391.5 Ų91.558%0.57852%0.516SS*.Hα-helixtrans-64.8-39.7179-71.4177.3179.3-1800112.6I138 I139 T144 V145 T146I138-K142 PolarHBondContact O-N 3.47Å; I139-K142 WeakPolarHBondContact O-CB 3.41Å; I139-K142 PolarHBondContact O-N 3.2Å; K142-T144 VanDerWaalsContact C-N 3.27Å; K142-T144 PolarHBondContact O-N 3.18Å; K142-V145 PolarHBondContact O-N 3.3Å; K142-T146 WeakPolarHBondContact O-CB 3.06Å; K142-T146 PolarHBondContact O-N 3.09Å; K142-T146 PolarHBondContact O-OG1 3.41Å
143D87.9Confident77.6Confident82 Ų8295.8 Ų95.844%0.43955%0.549SS..Hα-helixtrans-63.6-37.2176.9-65.4-22.8000111.1I139 V145 T146 N147I139-D143 PolarHBondContact O-N 2.81Å; I139-D143 VanDerWaalsContact O-N 3.09Å; D143-V145 VanDerWaalsContact C-N 3.33Å; D143-V145 PolarHBondContact O-N 3.4Å; D143-T146 PolarHBondContact O-N 3.07Å; D143-N147 WeakPolarHBondContact O-CB 3.43Å; D143-N147 VanDerWaalsContact O-CG 3.29Å; D143-N147 PolarHBondContact O-N 3.49Å; D143-N147 PolarHBondContact O-ND2 2.92Å
144T82.6Confident75.4Confident66 Ų66101.6 Ų101.641%0.40558%0.575SS.*Hα-helixtrans-64.4-39.4176.2-48.70000111.5R83 Q140 L141 K142R83-T144 PolarHBondContact NH1-OG1 3.49Å; Q140-T144 PolarHBondContact O-N 3.06Å; Q140-T144 VanDerWaalsContact O-N 3.16Å; Q140-T144 PolarHBondContact O-OG1 3.17Å; L141-T144 WeakPolarHBondContact O-CB 3.32Å; L141-T144 PolarHBondContact O-N 2.98Å; K142-T144 VanDerWaalsContact C-N 3.27Å; K142-T144 PolarHBondContact O-N 3.18Å
145V83.6Confident72.6Confident111 Ų111103.6 Ų103.667%0.67358%0.584SS**Hα-helixtrans-71.7-38.2178.5177.70000111.5L141 K142 D143L141-V145 WeakPolarHBondContact O-CG2 3.48Å; L141-V145 PolarHBondContact O-N 3.26Å; K142-V145 PolarHBondContact O-N 3.3Å; D143-V145 VanDerWaalsContact C-N 3.33Å; D143-V145 PolarHBondContact O-N 3.4Å
146T79Confident70Confident113 Ų113103.8 Ų103.869%0.69359%0.59SS**Hα-helixtrans-74.4-32.5-177.2-50.30000112.3K142 D143 N148K142-T146 WeakPolarHBondContact O-CB 3.06Å; K142-T146 PolarHBondContact O-N 3.09Å; K142-T146 PolarHBondContact O-OG1 3.41Å; D143-T146 PolarHBondContact O-N 3.07Å; T146-N148 VanDerWaalsContact C-N 3.31Å; T146-N148 PolarHBondContact O-N 2.84Å
147N66.6Low67Low126 Ų126109.7 Ų109.767%0.67462%0.621SS**THydrogen-bonded Turntrans-81.3-6.6179.4-69.2-48.9000114.2D143 P149D143-N147 WeakPolarHBondContact O-CB 3.43Å; D143-N147 VanDerWaalsContact O-CG 3.29Å; D143-N147 PolarHBondContact O-N 3.49Å; D143-N147 PolarHBondContact O-ND2 2.92Å; N147-P149 VanDerWaalsContact O-CD 3.31Å; N147-P149 WeakPolarHBondContact O-CD 3.49Å
148N57.5Low64.1Low119 Ų119114.2 Ų114.264%0.63665%0.652SS**SBendtrans-97.6101.9166.7-86.4-4.8000108.8T146 L150T146-N148 VanDerWaalsContact C-N 3.31Å; T146-N148 PolarHBondContact O-N 2.84Å; N148-L150 PolarHBondContact O-N 3.41Å
149P55.8Low61.2Low124 Ų124116.2 Ų116.281%0.80567%0.668SS**  trans-7776.7173.532.6-32000108.8N147N147-P149 VanDerWaalsContact O-CD 3.31Å; N147-P149 WeakPolarHBondContact O-CD 3.49Å
150L46.9Very low58.1Low164 Ų164118.6 Ų118.686%0.85968%0.682SS**  trans-153.1112.3156.3-153.661.1000112N148N148-L150 PolarHBondContact O-N 3.41Å
151S42.6Very low55.3Low112 Ų112120.9 Ų120.978%0.78370%0.704SS**  trans8878.5162.1-160.80000118.3
152S42.7Very low52.3Low123 Ų123122.9 Ų122.986%0.8672%0.72SS**  trans-138.879.2132.7620000110
153S42.4Very low49.5Very low113 Ų113123.7 Ų123.779%0.7973%0.73SS**  trans-103.411214872.50000107.5
154E52.5Low46.7Very low161 Ų161125.2 Ų125.275%0.75275%0.747SS**  trans-66.2148.5164-65.3173.8124.700110.1
155H36.5Very low44Very low178 Ų178127.6 Ų127.682%0.82476%0.761SS**  trans136.6136.6142-70.482.3000114.7
156A39.8Very low41.6Very low82 Ų82127.4 Ų127.468%0.67877%0.765SS**  trans-60.6146.4-170.200000115.8
157N32.4Very low39.4Very low165 Ų165127.3 Ų127.388%0.88277%0.769SS**  177.1152112.2-89.3-35.9000113.4
158S34.7Very low37.8Very low106 Ų106126.6 Ų126.674%0.74177%0.774SS**  trans-40.3146.2173.5-174.10000116.6
159V32.3Very low36.5Very low125 Ų125126.1 Ų126.176%0.75878%0.78SS**  159.7122.5115.6168.20000110.7
160N30Very low35.3Very low146 Ų146125.7 Ų125.778%0.78178%0.775SS**  trans22.6129.2149.1-83.610.4000123.6
161S32.3Very low35Very low100 Ų100126.2 Ų126.270%0.69977%0.773SS**  92.8127125.3-60.90000121.2
162T27.8Very low35.2Very low132 Ų132125.8 Ų125.881%0.8177%0.767SS**  trans108.4100.4135.4-19.70000118.2
163L34.3Very low35.1Very low150 Ų150124.9 Ų124.979%0.78576%0.758SS**  21.3124.3128-147.981000119.6
164S29.1Very low34.5Very low113 Ų113124.4 Ų124.479%0.7976%0.755SS**  trans177.7108.4135.8-74.20000107.2
165T26Very low33.5Very low116 Ų116125.1 Ų125.171%0.71276%0.756SS**  67.8129.370.7-53.60000114.3
166S33.7Very low33Very low108 Ų108123.2 Ų123.276%0.75576%0.757SS**  trans81.6137.1164.270.80000116.9
167S32.3Very low32.6Very low111 Ų111124.4 Ų124.478%0.77676%0.76SS**  cis-172.1154.21.530.60000110.1
168S31.6Very low32.4Very low110 Ų110123.5 Ų123.577%0.76976%0.761SS**  trans-58.1155175.2-34.80000115.7
169S31.5Very low32.1Very low110 Ų110125.2 Ų125.277%0.76976%0.762SS**  177.5110.3125-77.70000110.3
170T29.6Very low32.2Very low114 Ų114128.4 Ų128.470%0.69977%0.769SS**  57.7106.789.736.90000118.1
171H40.8Very low32.1Very low176 Ų176127 Ų12782%0.81577%0.765SS**  trans87.6153.7132.6-75.3-47.8000122.2
172P47.1Very low31.9Very low102 Ų102128.8 Ų128.866%0.66277%0.772SS**  trans-111.1-171.5-141.243.5-33.9000113.3
173P41.5Very low31.9Very low104 Ų104126.8 Ų126.868%0.67576%0.763SS**  trans-139153.3130.234-18.5000115.1F175P173-F175 HydrophobicContact CB-CE2 3.72Å; P173-F175 HydrophobicContact CB-CZ 3.88Å; P173-F175 HydrophobicContact CG-CE2 3.95Å; P173-F175 HydrophobicContact CG-CZ 4.48Å
174S28.7Very low31.9Very low104 Ų104126.6 Ų126.673%0.72776%0.763SS**  trans-93.9139170.1-53.90000110.8
175F32.1Very low32Very low175 Ų175130.5 Ų130.577%0.76877%0.769SS**  trans-155.1112.4152.2-43.9-80.7000106.6P173P173-F175 HydrophobicContact CB-CE2 3.72Å; P173-F175 HydrophobicContact CB-CZ 3.88Å; P173-F175 HydrophobicContact CG-CE2 3.95Å; P173-F175 HydrophobicContact CG-CZ 4.48Å
176T26.1Very low32.5Very low138 Ų138131.1 Ų131.185%0.84777%0.772SS**  80.513088.5-53.20000114.5
177S30.8Very low32.6Very low107 Ų107132.4 Ų132.475%0.74877%0.767SS**  trans-55.6150.6-169.2-35.80000118.7
178T29.6Very low32.8Very low146 Ų146132.4 Ų132.490%0.89676%0.764SS**  trans-151.6132135.9-1.80000111.6
179D28.2Very low32.9Very low143 Ų143132 Ų13277%0.76577%0.767SS**  trans-52.4141.1161.4-108.1-51.8000111.4
180E33.2Very low32.8Very low191 Ų191136.3 Ų136.389%0.89377%0.766SS**  trans-153.6132133-84.1-132.4125.700110.9
181T27.9Very low33.1Very low116 Ų116140.7 Ų140.771%0.71278%0.776SS**  trans-89.5124.4179.3-69.30000109.2
182V28.4Very low32.6Very low138 Ų138137.8 Ų137.884%0.83677%0.771SS**  trans-137.4119.3158.6177.80000109.9
183S28.3Very low32.7Very low90 Ų90135.9 Ų135.963%0.62977%0.769SS**  trans-76.5132.3179.4-730000112.8
184N34.7Very low32.2Very low146 Ų146135.9 Ų135.978%0.78177%0.772SS**  trans37.2118137.8-54.6-52.1000120.5
185E29.4Very low32.7Very low195 Ų195135.1 Ų135.191%0.91177%0.772SS**  -144.3115.4125-144.2-166.6152.200109.1
186V37.5Very low33Very low130 Ų130135 Ų13579%0.78877%0.774SS**  trans-95108.9175176.10000107.3
187E34.7Very low33.7Very low135 Ų135134.9 Ų134.963%0.63177%0.773SS**PPolyproline II helixtrans-64.2128.4172.5-172.2169.2148.400109.5A189 R190E187-A189 PolarHBondContact O-N 3.13Å; E187-R190 IonicContact OE1-CZ 2.88Å; E187-R190 IonicContact OE1-NH2 2.78Å; E187-R190 PolarHBondContact OE1-NH2 3.1Å; E187-R190 VanDerWaalsContact OE1-NH2 3.14Å
188P37.8Very low34.5Very low110 Ų110135.2 Ų135.271%0.71476%0.761SS**PPolyproline II helixtrans-69.3132.6178.827.1-31.6000110.2R190P188-R190 PolarHBondContact O-N 2.89Å
189A33.5Very low35.3Very low102 Ų102133.6 Ų133.684%0.84376%0.763SS**PPolyproline II helixtrans-55.3127.7178.300000111.4E187 F191E187-A189 PolarHBondContact O-N 3.13Å; A189-F191 PolarHBondContact O-N 2.97Å
190R29.3Very low36.3Very low200 Ų200128.2 Ų128.276%0.75574%0.741SS**PPolyproline II helixtrans-64.4126.3175.3-66.9-167.8175.4106.217.8110E187 P188 V192E187-R190 IonicContact OE1-CZ 2.88Å; E187-R190 IonicContact OE1-NH2 2.78Å; E187-R190 PolarHBondContact OE1-NH2 3.1Å; E187-R190 VanDerWaalsContact OE1-NH2 3.14Å; P188-R190 PolarHBondContact O-N 2.89Å; R190-V192 HydrophobicContact CB-CG2 4.25Å; R190-V192 PolarHBondContact O-N 3.25Å
191F35.1Very low37Very low206 Ų206121.6 Ų121.690%0.90472%0.716SS**  trans-65.797.3165.7-173.1-97.3000108.4A189A189-F191 PolarHBondContact O-N 2.97Å
192V31.7Very low37.9Very low115 Ų115124.1 Ų124.170%0.69772%0.717SS**  trans-107.9104.3170.1179.20000106.8R190 S194R190-V192 HydrophobicContact CB-CG2 4.25Å; R190-V192 PolarHBondContact O-N 3.25Å; V192-S194 PolarHBondContact O-N 3.2Å
193G48Very low39.1Very low62 Ų62123 Ų12364%0.63971%0.71SS**  trans-61.6123.4161.600000108.3
194S31.6Very low40.6Very low104 Ų104122 Ų12273%0.72770%0.7SS**  trans-151.8121.3162.8-98.50000112.5V192V192-S194 PolarHBondContact O-N 3.2Å
195A39.7Very low41.9Very low89 Ų89120.1 Ų120.174%0.73669%0.689SS**  trans33.697.3135.800000116.1T197A195-T197 PolarHBondContact O-N 3.01Å; A195-T197 VanDerWaalsContact O-N 3.11Å
196Q38.5Very low43.8Very low173 Ų173115.8 Ų115.881%0.80867%0.671SS**  trans-62.7105.8162.9-71.3171.6-2400109.7F198Q196-F198 PolarHBondContact O-N 3.19Å; Q196-F198 VanDerWaalsContact O-N 3.1Å
197T40.8Very low45.4Very low135 Ų135112.3 Ų112.383%0.82865%0.653SS**  trans-78.184.6157.443.30000107.8A195 A199A195-T197 PolarHBondContact O-N 3.01Å; A195-T197 VanDerWaalsContact O-N 3.11Å; T197-A199 PolarHBondContact O-N 2.88Å; T197-A199 VanDerWaalsContact O-N 3.13Å
198F46.5Very low47.2Very low113 Ų113109.2 Ų109.250%0.49665%0.646SS.*  trans-8093.2-174.8-154.5-100.1000109.6Q196 G200 S201 V204Q196-F198 PolarHBondContact O-N 3.19Å; Q196-F198 VanDerWaalsContact O-N 3.1Å; F198-G200 PolarHBondContact O-N 2.91Å; F198-S201 VanDerWaalsContact O-CB 3.28Å; F198-S201 WeakPolarHBondContact O-CB 3.1Å; F198-S201 PolarHBondContact O-N 3.2Å; F198-S201 PolarHBondContact O-OG 3.49Å; F198-V204 HydrophobicContact CE1-CG2 4.25Å
199A47.1Very low49.3Very low113 Ų113108.4 Ų108.493%0.93463%0.634SS**THydrogen-bonded Turntrans-70.49.3171.900000113.5T197T197-A199 PolarHBondContact O-N 2.88Å; T197-A199 VanDerWaalsContact O-N 3.13Å
200G48.4Very low51.5Low29 Ų29106.3 Ų106.330%0.29961%0.613SS.*THydrogen-bonded Turntrans-94.4-2.7163.400000114F198 K202 V203 V204F198-G200 PolarHBondContact O-N 2.91Å; G200-K202 VanDerWaalsContact C-N 3.26Å; G200-K202 PolarHBondContact O-N 3.42Å; G200-V203 PolarHBondContact O-N 3.26Å; G200-V204 PolarHBondContact O-N 3.04Å
201S47.5Very low54Low52 Ų5298.5 Ų98.536%0.36460%0.595SS.*Hα-helixtrans-61.8-30.2-170.8-720000113.5F198 L205F198-S201 VanDerWaalsContact O-CB 3.28Å; F198-S201 WeakPolarHBondContact O-CB 3.1Å; F198-S201 PolarHBondContact O-N 3.2Å; F198-S201 PolarHBondContact O-OG 3.49Å; S201-L205 WeakPolarHBondContact O-CB 3.41Å; S201-L205 VanDerWaalsContact O-CD1 3.31Å; S201-L205 WeakPolarHBondContact O-CD1 3.37Å; S201-L205 WeakPolarHBondContact O-CG 3.23Å; S201-L205 PolarHBondContact O-N 2.9Å
202K47.3Very low56.5Low170 Ų17093.8 Ų93.874%0.73958%0.578SS**Hα-helixtrans-71.1-39.7-178.9-66-158.1174.5-170.60112.6G200 I206G200-K202 VanDerWaalsContact C-N 3.26Å; G200-K202 PolarHBondContact O-N 3.42Å; K202-I206 WeakPolarHBondContact O-CB 3.33Å; K202-I206 VanDerWaalsContact O-CD1 3.23Å; K202-I206 WeakPolarHBondContact O-CD1 3.37Å; K202-I206 WeakPolarHBondContact O-CG1 3.41Å; K202-I206 PolarHBondContact O-N 3.1Å
203V54.8Low59.2Low113 Ų11393.2 Ų93.269%0.68557%0.571SS**Hα-helixtrans-73.3-38.4-179.2-176.10000110.6G200 S207G200-V203 PolarHBondContact O-N 3.26Å; V203-S207 WeakPolarHBondContact O-CB 3.19Å; V203-S207 PolarHBondContact O-N 2.96Å
204V59.5Low61Low71 Ų7197.4 Ų97.443%0.4357%0.571SS.*Hα-helixtrans-68.3-42.5175.9179.60000111.4F198 G200 S207 C208F198-V204 HydrophobicContact CE1-CG2 4.25Å; G200-V204 PolarHBondContact O-N 3.04Å; V204-S207 PolarHBondContact O-N 3.27Å; V204-C208 WeakPolarHBondContact O-CB 3.31Å; V204-C208 PolarHBondContact O-N 3.43Å; V204-C208 PolarHBondContact O-SG 3.41Å; V204-C208 VanDerWaalsContact O-SG 3.35Å
205L61.2Low63.6Low105 Ų10596.4 Ų96.455%0.5556%0.561SS.*Hα-helixtrans-64.1-43.4176.5-74.9168000111.9S201 C208 I209S201-L205 WeakPolarHBondContact O-CB 3.41Å; S201-L205 VanDerWaalsContact O-CD1 3.31Å; S201-L205 WeakPolarHBondContact O-CD1 3.37Å; S201-L205 WeakPolarHBondContact O-CG 3.23Å; S201-L205 PolarHBondContact O-N 2.9Å; L205-C208 PolarHBondContact O-N 3.03Å; L205-I209 WeakPolarHBondContact O-CB 3.49Å; L205-I209 WeakPolarHBondContact O-CD1 3.31Å; L205-I209 WeakPolarHBondContact O-CG1 3.36Å; L205-I209 PolarHBondContact O-N 3.41Å
206I68.8Low66Low104 Ų10496.7 Ų96.753%0.53355%0.549SS..Hα-helixtrans-63.8-43.8178.2-68162.8000110.3K202 C208 I209 C210K202-I206 WeakPolarHBondContact O-CB 3.33Å; K202-I206 VanDerWaalsContact O-CD1 3.23Å; K202-I206 WeakPolarHBondContact O-CD1 3.37Å; K202-I206 WeakPolarHBondContact O-CG1 3.41Å; K202-I206 PolarHBondContact O-N 3.1Å; I206-C208 PolarHBondContact O-N 2.81Å; I206-I209 PolarHBondContact O-N 2.87Å; I206-C210 WeakPolarHBondContact O-CB 3.35Å; I206-C210 PolarHBondContact O-N 3.16Å; I206-C210 PolarHBondContact O-SG 2.79Å
207S71.3Confident68.2Low57 Ų5794.6 Ų94.640%0.39954%0.541SS..Hα-helixtrans-61.7-43.7176.1-172.80000112.1V203 V204 C210 G211V203-S207 WeakPolarHBondContact O-CB 3.19Å; V203-S207 PolarHBondContact O-N 2.96Å; V204-S207 PolarHBondContact O-N 3.27Å; S207-C210 PolarHBondContact O-N 3.26Å; S207-G211 PolarHBondContact O-N 3.34Å
208C71.9Confident70.2Confident71 Ų7191.8 Ų91.848%0.4853%0.527SS..Hα-helixtrans-64.4-41.5176.2-76.20000112.4V204 L205 I206 G211 L212V204-C208 WeakPolarHBondContact O-CB 3.31Å; V204-C208 PolarHBondContact O-N 3.43Å; V204-C208 PolarHBondContact O-SG 3.41Å; V204-C208 VanDerWaalsContact O-SG 3.35Å; L205-C208 PolarHBondContact O-N 3.03Å; I206-C208 PolarHBondContact O-N 2.81Å; C208-G211 PolarHBondContact O-N 3.29Å; C208-L212 WeakPolarHBondContact O-CB 3.34Å; C208-L212 VanDerWaalsContact O-CG 3.25Å; C208-L212 WeakPolarHBondContact O-CG 3.31Å; C208-L212 PolarHBondContact O-N 3.39Å
209I83.6Confident72.1Confident93 Ų9391.6 Ų91.648%0.47753%0.531SS..Hα-helixtrans-64.6-46.9177.5-68.9162.1000110.1L205 I206 G211 L212 L213L205-I209 WeakPolarHBondContact O-CB 3.49Å; L205-I209 WeakPolarHBondContact O-CD1 3.31Å; L205-I209 WeakPolarHBondContact O-CG1 3.36Å; L205-I209 PolarHBondContact O-N 3.41Å; I206-I209 PolarHBondContact O-N 2.87Å; I209-G211 PolarHBondContact O-N 2.83Å; I209-L212 PolarHBondContact O-N 2.92Å; I209-L213 HydrophobicContact CG2-CD1 3.87Å; I209-L213 HydrophobicContact CG2-CG 4.32Å; I209-L213 WeakPolarHBondContact O-CB 3.49Å; I209-L213 VanDerWaalsContact O-CG 3.22Å; I209-L213 WeakPolarHBondContact O-CG 3.34Å; I209-L213 PolarHBondContact O-N 3.14Å
210C78.9Confident74Confident58 Ų5889.3 Ų89.339%0.39251%0.505SS..Hα-helixtrans-60-45.3176.5-69.80000111.5I206 S207 L212 L213 F214I206-C210 WeakPolarHBondContact O-CB 3.35Å; I206-C210 PolarHBondContact O-N 3.16Å; I206-C210 PolarHBondContact O-SG 2.79Å; S207-C210 PolarHBondContact O-N 3.26Å; C210-L212 PolarHBondContact O-N 2.88Å; C210-L213 PolarHBondContact O-N 2.83Å; C210-F214 WeakPolarHBondContact O-CD2 3.29Å; C210-F214 PolarHBondContact O-N 2.04Å
211G82.2Confident75.5Confident36 Ų3690.8 Ų90.837%0.37151%0.514SS..Hα-helixtrans-59.1-46.8176.400000113S207 C208 I209 L213 F214 T215S207-G211 PolarHBondContact O-N 3.34Å; C208-G211 PolarHBondContact O-N 3.29Å; I209-G211 PolarHBondContact O-N 2.83Å; G211-L213 PolarHBondContact O-N 2.88Å; G211-F214 PolarHBondContact O-N 2.78Å; G211-T215 WeakPolarHBondContact O-CG2 3.31Å; G211-T215 PolarHBondContact O-N 2.87Å; G211-T215 PolarHBondContact O-OG1 3.32Å
212L87.8Confident77.1Confident107 Ų10796.6 Ų96.656%0.5653%0.529SS*.Hα-helixtrans-64.4-38.5176.9-71.3171.2000112.5C208 I209 C210 T215 I216C208-L212 WeakPolarHBondContact O-CB 3.34Å; C208-L212 VanDerWaalsContact O-CG 3.25Å; C208-L212 WeakPolarHBondContact O-CG 3.31Å; C208-L212 PolarHBondContact O-N 3.39Å; I209-L212 PolarHBondContact O-N 2.92Å; C210-L212 PolarHBondContact O-N 2.88Å; L212-T215 WeakPolarHBondContact CA-OG1 3.4Å; L212-T215 PolarHBondContact O-N 2.76Å; L212-T215 PolarHBondContact O-OG1 2.94Å; L212-I216 WeakPolarHBondContact O-CB 3.3Å; L212-I216 WeakPolarHBondContact O-CD1 3.44Å; L212-I216 WeakPolarHBondContact O-CG1 3.34Å; L212-I216 PolarHBondContact O-N 2.9Å
213L88.3Confident78.6Confident103 Ų10393.2 Ų93.254%0.53952%0.519SS..Hα-helixtrans-65.4-41.4175.5-70.1174000111.2I209 C210 G211 I216 M217I209-L213 HydrophobicContact CG2-CD1 3.87Å; I209-L213 HydrophobicContact CG2-CG 4.32Å; I209-L213 WeakPolarHBondContact O-CB 3.49Å; I209-L213 VanDerWaalsContact O-CG 3.22Å; I209-L213 WeakPolarHBondContact O-CG 3.34Å; I209-L213 PolarHBondContact O-N 3.14Å; C210-L213 PolarHBondContact O-N 2.83Å; G211-L213 PolarHBondContact O-N 2.88Å; L213-I216 PolarHBondContact O-N 2.95Å; L213-M217 WeakPolarHBondContact O-CB 3.4Å; L213-M217 WeakPolarHBondContact O-CG 3.39Å; L213-M217 PolarHBondContact O-N 2.74Å
214F84.7Confident79.7Confident149 Ų14995 Ų9565%0.65452%0.517SS*.Hα-helixtrans-65.7-38.5176.4-84.2-67.1000112.9C210 G211 S218C210-F214 WeakPolarHBondContact O-CD2 3.29Å; C210-F214 PolarHBondContact O-N 2.04Å; G211-F214 PolarHBondContact O-N 2.78Å; F214-S218 WeakPolarHBondContact O-CB 3.47Å; F214-S218 PolarHBondContact O-N 3.03Å; F214-S218 PolarHBondContact O-OG 3.11Å
215T86.9Confident80.3Confident84 Ų8497.1 Ų97.152%0.51553%0.525SS..Hα-helixtrans-68.8-41.9176.557.20000111.7G211 L212 S218 L219G211-T215 WeakPolarHBondContact O-CG2 3.31Å; G211-T215 PolarHBondContact O-N 2.87Å; G211-T215 PolarHBondContact O-OG1 3.32Å; L212-T215 WeakPolarHBondContact CA-OG1 3.4Å; L212-T215 PolarHBondContact O-N 2.76Å; L212-T215 PolarHBondContact O-OG1 2.94Å; T215-S218 PolarHBondContact O-N 3.03Å; T215-L219 WeakPolarHBondContact O-CB 3.43Å; T215-L219 PolarHBondContact O-N 2.92Å
216I89.3Confident80.7Confident94 Ų9494 Ų9448%0.48252%0.519SS..Hα-helixtrans-62.8-46.2175.5-68.1165.9000110.5L212 L213 S218 L219 V220L212-I216 WeakPolarHBondContact O-CB 3.3Å; L212-I216 WeakPolarHBondContact O-CD1 3.44Å; L212-I216 WeakPolarHBondContact O-CG1 3.34Å; L212-I216 PolarHBondContact O-N 2.9Å; L213-I216 PolarHBondContact O-N 2.95Å; I216-S218 VanDerWaalsContact C-N 3.31Å; I216-S218 PolarHBondContact O-N 2.79Å; I216-L219 PolarHBondContact O-N 3.02Å; I216-V220 HydrophobicContact CG2-CG2 4.28Å; I216-V220 WeakPolarHBondContact O-CB 3.3Å; I216-V220 VanDerWaalsContact O-CG2 3.28Å; I216-V220 WeakPolarHBondContact O-CG2 3.29Å; I216-V220 PolarHBondContact O-N 3.19Å
217M86.2Confident80.6Confident129 Ų12998.2 Ų98.264%0.63553%0.528SS*.Hα-helixtrans-61.3-40.2177.4-73.1-60.9-6700111.9L213 A221L213-M217 WeakPolarHBondContact O-CB 3.4Å; L213-M217 WeakPolarHBondContact O-CG 3.39Å; L213-M217 PolarHBondContact O-N 2.74Å; M217-A221 VanDerWaalsContact O-CB 3.31Å; M217-A221 WeakPolarHBondContact O-CB 3.31Å; M217-A221 PolarHBondContact O-N 3.16Å
218S82.9Confident80.3Confident76 Ų76101.8 Ų101.853%0.53154%0.538SS..Hα-helixtrans-66.8-40.9176.2-58.90000112.1F214 T215 I216 A221 Y222F214-S218 WeakPolarHBondContact O-CB 3.47Å; F214-S218 PolarHBondContact O-N 3.03Å; F214-S218 PolarHBondContact O-OG 3.11Å; T215-S218 PolarHBondContact O-N 3.03Å; I216-S218 VanDerWaalsContact C-N 3.31Å; I216-S218 PolarHBondContact O-N 2.79Å; S218-A221 PolarHBondContact O-N 3.1Å; S218-Y222 WeakPolarHBondContact O-CB 3.46Å; S218-Y222 PolarHBondContact O-N 2.67Å
219L85.6Confident79.7Confident110 Ų110101.9 Ų101.958%0.57654%0.539SS*.Hα-helixtrans-65.8-43.8176.4-166.481.3000111.4T215 I216 Y222 L223T215-L219 WeakPolarHBondContact O-CB 3.43Å; T215-L219 PolarHBondContact O-N 2.92Å; I216-L219 PolarHBondContact O-N 3.02Å; L219-Y222 PolarHBondContact O-N 2.82Å; L219-L223 HydrophobicContact CD2-CD1 4.43Å; L219-L223 HydrophobicContact CG-CD1 4.18Å; L219-L223 WeakPolarHBondContact O-CB 3.44Å; L219-L223 VanDerWaalsContact O-CG 3.26Å; L219-L223 WeakPolarHBondContact O-CG 3.26Å; L219-L223 PolarHBondContact O-N 3.01Å
220V85.9Confident78.6Confident65 Ų65103 Ų10339%0.39454%0.542SS..Hα-helixtrans-64.2-41.2176.5171.60000110.9I216 L223 K224I216-V220 HydrophobicContact CG2-CG2 4.28Å; I216-V220 WeakPolarHBondContact O-CB 3.3Å; I216-V220 VanDerWaalsContact O-CG2 3.28Å; I216-V220 WeakPolarHBondContact O-CG2 3.29Å; I216-V220 PolarHBondContact O-N 3.19Å; V220-L223 PolarHBondContact O-N 2.86Å; V220-K224 VanDerWaalsContact O-CB 3.31Å; V220-K224 WeakPolarHBondContact O-CB 3.32Å; V220-K224 WeakPolarHBondContact O-CG 3.11Å; V220-K224 PolarHBondContact O-N 3.28Å
221A81.8Confident77.6Confident59 Ų59105.4 Ų105.449%0.48855%0.551SS.*Hα-helixtrans-63.1-41.9174.400000111.6M217 S218 K224 L225M217-A221 VanDerWaalsContact O-CB 3.31Å; M217-A221 WeakPolarHBondContact O-CB 3.31Å; M217-A221 PolarHBondContact O-N 3.16Å; S218-A221 PolarHBondContact O-N 3.1Å; A221-K224 PolarHBondContact O-N 3.22Å; A221-L225 VanDerWaalsContact O-CB 3.29Å; A221-L225 WeakPolarHBondContact O-CB 3.23Å; A221-L225 PolarHBondContact O-N 3.03Å
222Y79.3Confident76.7Confident175 Ų175111 Ų11169%0.68656%0.561SS**Hα-helixtrans-63.9-44.8176-172.9-94.6000112.2S218 L219 L225 G226S218-Y222 WeakPolarHBondContact O-CB 3.46Å; S218-Y222 PolarHBondContact O-N 2.67Å; L219-Y222 PolarHBondContact O-N 2.82Å; Y222-L225 PolarHBondContact O-N 2.87Å; Y222-G226 PolarHBondContact O-N 2.86Å
223L80.6Confident75.4Confident99 Ų99109.2 Ų109.252%0.51856%0.557SS.*Hα-helixtrans-67.6-37.3177.1-68.8169.5000112L219 V220 R227L219-L223 HydrophobicContact CD2-CD1 4.43Å; L219-L223 HydrophobicContact CG-CD1 4.18Å; L219-L223 WeakPolarHBondContact O-CB 3.44Å; L219-L223 VanDerWaalsContact O-CG 3.26Å; L219-L223 WeakPolarHBondContact O-CG 3.26Å; L219-L223 PolarHBondContact O-N 3.01Å; V220-L223 PolarHBondContact O-N 2.86Å; L223-R227 WeakPolarHBondContact O-CB 3.33Å; L223-R227 WeakPolarHBondContact O-CG 3.31Å; L223-R227 PolarHBondContact O-N 2.98Å
224K77.8Confident74.2Confident150 Ų150107.6 Ų107.665%0.65255%0.549SS*.Hα-helixtrans-65.6-42.1172.3-84.2-165.5175.3-176.10111.5V220 A221 R227 H228V220-K224 VanDerWaalsContact O-CB 3.31Å; V220-K224 WeakPolarHBondContact O-CB 3.32Å; V220-K224 WeakPolarHBondContact O-CG 3.11Å; V220-K224 PolarHBondContact O-N 3.28Å; A221-K224 PolarHBondContact O-N 3.22Å; K224-R227 PolarHBondContact O-N 3.18Å; K224-H228 VanDerWaalsContact O-CB 3.26Å; K224-H228 WeakPolarHBondContact O-CB 3.49Å; K224-H228 PolarHBondContact O-N 2.82Å
225L70.8Confident73.4Confident115 Ų115106.3 Ų106.360%0.60255%0.545SS*.Hα-helixtrans-68.8-39.6178.2-164.266000111.3A221 Y222 H228 C229A221-L225 VanDerWaalsContact O-CB 3.29Å; A221-L225 WeakPolarHBondContact O-CB 3.23Å; A221-L225 PolarHBondContact O-N 3.03Å; Y222-L225 PolarHBondContact O-N 2.87Å; L225-H228 PolarHBondContact O-N 2.71Å; L225-C229 WeakPolarHBondContact O-CB 3.44Å; L225-C229 PolarHBondContact O-N 2.86Å; L225-C229 PolarHBondContact O-SG 2.91Å
226G71Confident72.6Confident41 Ų41108 Ų10842%0.42355%0.545SS..Hα-helixtrans-63-4517300000112.7Y222 C229 H230Y222-G226 PolarHBondContact O-N 2.86Å; G226-C229 PolarHBondContact O-N 3.08Å; G226-H230 WeakPolarHBondContact O-CB 3.27Å; G226-H230 PolarHBondContact O-N 3.46Å
227R67Low71.4Confident191 Ų191110 Ų11072%0.72155%0.552SS**Hα-helixtrans-63.4-40.3172.7-80.9-178.7169.1-178.8-2.9112L223 K224 C229 H230 L231L223-R227 WeakPolarHBondContact O-CB 3.33Å; L223-R227 WeakPolarHBondContact O-CG 3.31Å; L223-R227 PolarHBondContact O-N 2.98Å; K224-R227 PolarHBondContact O-N 3.18Å; R227-C229 VanDerWaalsContact C-N 3.32Å; R227-C229 PolarHBondContact O-N 3.34Å; R227-H230 PolarHBondContact O-N 2.78Å; R227-L231 WeakPolarHBondContact O-CD1 3.42Å; R227-L231 PolarHBondContact O-N 3.02Å
228H63.3Low70.4Confident132 Ų132110.6 Ų110.661%0.61155%0.553SS**Hα-helixtrans-67.1-34.9179.3-158.1-13.5000112.2K224 L225 R232K224-H228 VanDerWaalsContact O-CB 3.26Å; K224-H228 WeakPolarHBondContact O-CB 3.49Å; K224-H228 PolarHBondContact O-N 2.82Å; L225-H228 PolarHBondContact O-N 2.71Å; H228-R232 VanDerWaalsContact O-CB 3.24Å; H228-R232 WeakPolarHBondContact O-CB 3.34Å; H228-R232 PolarHBondContact O-N 3.21Å; H228-R232 VanDerWaalsContact O-N 3.14Å
229C60.5Low69.8Low73 Ų73113.5 Ų113.549%0.49356%0.559SS.*Hα-helixtrans-70.5-37.1171.2-70.40000112.3L225 G226 R227 R232 S233L225-C229 WeakPolarHBondContact O-CB 3.44Å; L225-C229 PolarHBondContact O-N 2.86Å; L225-C229 PolarHBondContact O-SG 2.91Å; G226-C229 PolarHBondContact O-N 3.08Å; R227-C229 VanDerWaalsContact C-N 3.32Å; R227-C229 PolarHBondContact O-N 3.34Å; C229-R232 PolarHBondContact O-N 3.16Å; C229-S233 WeakPolarHBondContact O-CB 3.25Å; C229-S233 PolarHBondContact O-N 3.09Å; C229-S233 PolarHBondContact O-OG 3.26Å; C229-S233 VanDerWaalsContact O-OG 3.13Å
230H59.1Low69.1Low118 Ų118115.2 Ų115.255%0.54656%0.564SS.*Hα-helixtrans-65.4-50.8176.9-163.3-69.1000111.6G226 R227 R232 S233 D234G226-H230 WeakPolarHBondContact O-CB 3.27Å; G226-H230 PolarHBondContact O-N 3.46Å; R227-H230 PolarHBondContact O-N 2.78Å; H230-R232 VanDerWaalsContact C-N 3.28Å; H230-R232 PolarHBondContact O-N 2.65Å; H230-S233 WeakPolarHBondContact O-CB 3.5Å; H230-S233 PolarHBondContact O-N 3.33Å; H230-D234 IonicContact CE1-OD1 3.46Å; H230-D234 IonicContact CE1-OD2 2.82Å; H230-D234 PolarHBondContact CE1-OD2 2.7Å; H230-D234 IonicContact ND1-OD1 3.5Å; H230-D234 IonicContact ND1-OD2 3.22Å; H230-D234 PolarHBondContact ND1-OD2 3.25Å; H230-D234 VanDerWaalsContact O-CG 3.31Å; H230-D234 PolarHBondContact O-N 2.97Å
231L59.1Low68.5Low108 Ų108119 Ų11957%0.56558%0.577SS**Hα-helixtrans-58.9-39175.8-87.8132.8000112.2R227 S233 D234 E235R227-L231 WeakPolarHBondContact O-CD1 3.42Å; R227-L231 PolarHBondContact O-N 3.02Å; L231-S233 VanDerWaalsContact C-N 3.34Å; L231-D234 PolarHBondContact O-N 3.01Å; L231-E235 WeakPolarHBondContact O-CG 3.3Å; L231-E235 PolarHBondContact O-N 2.95Å
232R62.1Low68Low153 Ų153122.3 Ų122.358%0.57758%0.583SS**Hα-helixtrans-71.1-28.4176.9-170.9172.3-172.4-173.32112.9H228 C229 H230 K236H228-R232 VanDerWaalsContact O-CB 3.24Å; H228-R232 WeakPolarHBondContact O-CB 3.34Å; H228-R232 PolarHBondContact O-N 3.21Å; H228-R232 VanDerWaalsContact O-N 3.14Å; C229-R232 PolarHBondContact O-N 3.16Å; H230-R232 VanDerWaalsContact C-N 3.28Å; H230-R232 PolarHBondContact O-N 2.65Å; R232-K236 WeakPolarHBondContact O-CB 3.29Å; R232-K236 VanDerWaalsContact O-CG 3.24Å; R232-K236 WeakPolarHBondContact O-CG 3.32Å; R232-K236 PolarHBondContact O-N 3.47Å
233S61.4Low67.7Low69 Ų69120.5 Ų120.548%0.48358%0.58SS.*Hα-helixtrans-74.3-39.2172.7-72.70000111.2C229 H230 L231 K236 Q237C229-S233 WeakPolarHBondContact O-CB 3.25Å; C229-S233 PolarHBondContact O-N 3.09Å; C229-S233 PolarHBondContact O-OG 3.26Å; C229-S233 VanDerWaalsContact O-OG 3.13Å; H230-S233 WeakPolarHBondContact O-CB 3.5Å; H230-S233 PolarHBondContact O-N 3.33Å; L231-S233 VanDerWaalsContact C-N 3.34Å; S233-K236 PolarHBondContact O-N 2.82Å; S233-Q237 PolarHBondContact O-N 3.13Å
234D63.8Low67.5Low69 Ų69120.7 Ų120.737%0.36958%0.582SS.*Hα-helixtrans-63.3-45.2175.6-64.7-31000110.9H230 L231 K236 Q237 Q238H230-D234 IonicContact CE1-OD1 3.46Å; H230-D234 IonicContact CE1-OD2 2.82Å; H230-D234 PolarHBondContact CE1-OD2 2.7Å; H230-D234 IonicContact ND1-OD1 3.5Å; H230-D234 IonicContact ND1-OD2 3.22Å; H230-D234 PolarHBondContact ND1-OD2 3.25Å; H230-D234 VanDerWaalsContact O-CG 3.31Å; H230-D234 PolarHBondContact O-N 2.97Å; L231-D234 PolarHBondContact O-N 3.01Å; D234-K236 VanDerWaalsContact C-N 3.31Å; D234-K236 PolarHBondContact O-N 2.97Å; D234-Q237 PolarHBondContact O-N 3.45Å; D234-Q238 PolarHBondContact O-N 2.77Å
235E67.3Low67.2Low123 Ų123119.8 Ų119.858%0.57558%0.575SS**Hα-helixtrans-60-38.7174.2-76.9179.1145.200112.5L231 Q239L231-E235 WeakPolarHBondContact O-CG 3.3Å; L231-E235 PolarHBondContact O-N 2.95Å; E235-Q239 WeakPolarHBondContact O-CG 3.37Å; E235-Q239 PolarHBondContact O-N 3.14Å; E235-Q239 VanDerWaalsContact O-N 3.14Å
236K69.1Low67.7Low120 Ų120117.5 Ų117.552%0.52257%0.566SS.*Hα-helixtrans-71.5-37.8177.1-77.1178.9179-167.90112.6R232 S233 D234 Q239 Q240R232-K236 WeakPolarHBondContact O-CB 3.29Å; R232-K236 VanDerWaalsContact O-CG 3.24Å; R232-K236 WeakPolarHBondContact O-CG 3.32Å; R232-K236 PolarHBondContact O-N 3.47Å; S233-K236 PolarHBondContact O-N 2.82Å; D234-K236 VanDerWaalsContact C-N 3.31Å; D234-K236 PolarHBondContact O-N 2.97Å; K236-Q239 PolarHBondContact O-N 3.06Å; K236-Q240 PolarHBondContact O-N 3.46Å
237Q64.7Low68.2Low135 Ų135121.7 Ų121.763%0.63158%0.575SS**Hα-helixtrans-65.7-41175.6-79.6-168.9-24.200111.3S233 D234 Q240 Q241S233-Q237 PolarHBondContact O-N 3.13Å; D234-Q237 PolarHBondContact O-N 3.45Å; Q237-Q240 PolarHBondContact O-N 2.88Å; Q237-Q241 WeakPolarHBondContact O-CB 3.18Å; Q237-Q241 PolarHBondContact O-N 3.29Å
238Q65.1Low68.8Low141 Ų141115.1 Ų115.166%0.65956%0.556SS**Hα-helixtrans-62.9-41.7175.6-110.7177.3-16.200112.6D234 Q241 Q242D234-Q238 PolarHBondContact O-N 2.77Å; Q238-Q241 PolarHBondContact O-N 3.15Å; Q238-Q242 WeakPolarHBondContact O-CB 3.43Å; Q238-Q242 PolarHBondContact O-N 2.99Å
239Q70.4Confident69.9Low137 Ų137113.7 Ų113.764%0.6455%0.549SS*.Hα-helixtrans-65-42.7176.2-76.6-179.9-1200112.5E235 K236 Q241 Q242 Q243E235-Q239 WeakPolarHBondContact O-CG 3.37Å; E235-Q239 PolarHBondContact O-N 3.14Å; E235-Q239 VanDerWaalsContact O-N 3.14Å; K236-Q239 PolarHBondContact O-N 3.06Å; Q239-Q241 VanDerWaalsContact C-N 3.35Å; Q239-Q241 PolarHBondContact O-N 3.41Å; Q239-Q242 PolarHBondContact O-N 3.42Å; Q239-Q243 WeakPolarHBondContact O-CB 3.45Å; Q239-Q243 PolarHBondContact O-N 2.78Å; Q239-Q243 VanDerWaalsContact O-N 3.1Å
240Q71Confident71.1Confident146 Ų146116.4 Ų116.468%0.68256%0.555SS**Hα-helixtrans-64.1-41.6178.8-162.480.627.500111.4K236 Q237 Q243 D244K236-Q240 PolarHBondContact O-N 3.46Å; Q237-Q240 PolarHBondContact O-N 2.88Å; Q240-Q243 PolarHBondContact O-N 2.94Å; Q240-D244 WeakPolarHBondContact O-CB 3.41Å; Q240-D244 PolarHBondContact O-N 2.89Å
241Q73.4Confident72.1Confident144 Ų144117.5 Ų117.567%0.67355%0.554SS**Hα-helixtrans-71.2-35.8-179.6-166.71678.400112.3Q237 Q238 Q239 Q243 Y245Q237-Q241 WeakPolarHBondContact O-CB 3.18Å; Q237-Q241 PolarHBondContact O-N 3.29Å; Q238-Q241 PolarHBondContact O-N 3.15Å; Q239-Q241 VanDerWaalsContact C-N 3.35Å; Q239-Q241 PolarHBondContact O-N 3.41Å; Q241-Q243 VanDerWaalsContact C-N 3.33Å; Q241-Y245 WeakPolarHBondContact O-CB 3.48Å; Q241-Y245 PolarHBondContact O-N 3.01Å
242Q70.5Confident73.4Confident130 Ų130116.5 Ų116.561%0.60755%0.549SS*.Hα-helixtrans-63.9-41.2173.9-161.379.612.300111.2Q238 Q239 Y245 T246Q238-Q242 WeakPolarHBondContact O-CB 3.43Å; Q238-Q242 PolarHBondContact O-N 2.99Å; Q239-Q242 PolarHBondContact O-N 3.42Å; Q242-Y245 PolarHBondContact O-N 2.98Å; Q242-T246 PolarHBondContact O-N 3.36Å; Q242-T246 PolarHBondContact O-OG1 2.94Å; Q242-T246 VanDerWaalsContact O-OG1 3.08Å
243Q73.1Confident74.5Confident137 Ų137112.4 Ų112.464%0.6454%0.543SS*.Hα-helixtrans-72.2-36.8-178-159.4157.7-4.700112.3Q239 Q240 Q241 Q247Q239-Q243 WeakPolarHBondContact O-CB 3.45Å; Q239-Q243 PolarHBondContact O-N 2.78Å; Q239-Q243 VanDerWaalsContact O-N 3.1Å; Q240-Q243 PolarHBondContact O-N 2.94Å; Q241-Q243 VanDerWaalsContact C-N 3.33Å; Q243-Q247 WeakPolarHBondContact O-CB 3.37Å; Q243-Q247 PolarHBondContact O-N 3.44Å
244D76.4Confident75.7Confident102 Ų102113.9 Ų113.955%0.54555%0.549SS..Hα-helixtrans-66-41.4172.4-17172.5000111.9Q240 T248Q240-D244 WeakPolarHBondContact O-CB 3.41Å; Q240-D244 PolarHBondContact O-N 2.89Å; D244-T248 WeakPolarHBondContact O-CB 3.28Å; D244-T248 PolarHBondContact O-N 2.99Å; D244-T248 PolarHBondContact O-OG1 3.04Å
245Y71.6Confident76.8Confident132 Ų132115 Ų11552%0.51855%0.551SS.*Hα-helixtrans-62.4-47.9175.5-179.6-93.5000112.1Q241 Q242 T248 E249Q241-Y245 WeakPolarHBondContact O-CB 3.48Å; Q241-Y245 PolarHBondContact O-N 3.01Å; Q242-Y245 PolarHBondContact O-N 2.98Å; Y245-T248 WeakPolarHBondContact O-CB 3.32Å; Y245-T248 PolarHBondContact O-N 3.26Å; Y245-T248 VanDerWaalsContact O-N 3.16Å; Y245-E249 HydrophobicContact CD1-CG 4.42Å; Y245-E249 HydrophobicContact CE1-CG 3.88Å; Y245-E249 WeakPolarHBondContact CE1-OE1 3.4Å; Y245-E249 VanDerWaalsContact CE1-OE2 3.3Å; Y245-E249 WeakPolarHBondContact CE1-OE2 3.31Å; Y245-E249 PolarHBondContact O-N 3.5Å; Y245-E249 PolarHBondContact OH-OE1 2.81Å
246T82Confident77.6Confident66 Ų66112.6 Ų112.641%0.40555%0.545SS..Hα-helixtrans-64.2-42.8178.7-57.40000112.2Q242 T248 E249 E250Q242-T246 PolarHBondContact O-N 3.36Å; Q242-T246 PolarHBondContact O-OG1 2.94Å; Q242-T246 VanDerWaalsContact O-OG1 3.08Å; T246-T248 PolarHBondContact O-N 3.18Å; T246-E249 PolarHBondContact O-N 2.71Å; T246-E250 PolarHBondContact O-N 3.24Å
247Q81.3Confident78.4Confident130 Ų130111.8 Ų111.861%0.60755%0.545SS*.Hα-helixtrans-62.4-34.3175.4-172.7173.31600111.4Q243 W251Q243-Q247 WeakPolarHBondContact O-CB 3.37Å; Q243-Q247 PolarHBondContact O-N 3.44Å; Q247-W251 PolarHBondContact O-N 2.77Å
248T80.1Confident79.2Confident53 Ų53107.5 Ų107.533%0.32553%0.533SS..Hα-helixtrans-70.4-42.6177.9-57.60000111.8D244 Y245 T246 E250 W251 I252D244-T248 WeakPolarHBondContact O-CB 3.28Å; D244-T248 PolarHBondContact O-N 2.99Å; D244-T248 PolarHBondContact O-OG1 3.04Å; Y245-T248 WeakPolarHBondContact O-CB 3.32Å; Y245-T248 PolarHBondContact O-N 3.26Å; Y245-T248 VanDerWaalsContact O-N 3.16Å; T246-T248 PolarHBondContact O-N 3.18Å; T248-E250 PolarHBondContact O-N 2.76Å; T248-W251 PolarHBondContact O-N 2.86Å; T248-I252 HydrophobicContact CG2-CD1 3.96Å; T248-I252 HydrophobicContact CG2-CG1 4.5Å; T248-I252 VanDerWaalsContact O-CG1 3.28Å; T248-I252 WeakPolarHBondContact O-CG1 3.37Å; T248-I252 PolarHBondContact O-N 3.07Å
249E85.9Confident79.9Confident101 Ų101105.6 Ų105.647%0.47252%0.524SS..Hα-helixtrans-62.4-41.4175-75.7-170.1142.200112.3Y245 T246 I252 S253Y245-E249 HydrophobicContact CD1-CG 4.42Å; Y245-E249 HydrophobicContact CE1-CG 3.88Å; Y245-E249 WeakPolarHBondContact CE1-OE1 3.4Å; Y245-E249 VanDerWaalsContact CE1-OE2 3.3Å; Y245-E249 WeakPolarHBondContact CE1-OE2 3.31Å; Y245-E249 PolarHBondContact O-N 3.5Å; Y245-E249 PolarHBondContact OH-OE1 2.81Å; T246-E249 PolarHBondContact O-N 2.71Å; E249-I252 PolarHBondContact O-N 3.18Å; E249-S253 WeakPolarHBondContact O-CB 3.44Å; E249-S253 PolarHBondContact O-N 2.77Å
250E85.4Confident80.1Confident130 Ų130102.9 Ų102.961%0.60752%0.517SS*.Hα-helixtrans-61.8-44.9175.1-76-170.9158.700111.7T246 T248 I252 S253 V254T246-E250 PolarHBondContact O-N 3.24Å; T248-E250 PolarHBondContact O-N 2.76Å; E250-I252 PolarHBondContact O-N 2.84Å; E250-S253 PolarHBondContact O-N 2.7Å; E250-V254 VanDerWaalsContact O-CG2 3.29Å; E250-V254 WeakPolarHBondContact O-CG2 3.46Å; E250-V254 PolarHBondContact O-N 2.82Å
251W80.7Confident80.3Confident142 Ų14299.6 Ų99.654%0.53851%0.506SS..Hα-helixtrans-61.1-44.4178.2118.1-103.7000111.9Q247 T248 K255Q247-W251 PolarHBondContact O-N 2.77Å; T248-W251 PolarHBondContact O-N 2.86Å; W251-K255 HydrophobicContact CE3-CB 4.12Å; W251-K255 HydrophobicContact CE3-CD 4.27Å; W251-K255 HydrophobicContact CH2-CB 4.48Å; W251-K255 HydrophobicContact CH2-CD 3.22Å; W251-K255 HydrophobicContact CH2-CG 4.44Å; W251-K255 HydrophobicContact CZ2-CD 4.17Å; W251-K255 HydrophobicContact CZ3-CB 3.91Å; W251-K255 HydrophobicContact CZ3-CD 3.28Å; W251-K255 HydrophobicContact CZ3-CG 4.16Å; W251-K255 WeakPolarHBondContact O-CB 3.1Å; W251-K255 PolarHBondContact O-N 2.83Å
252I86.9Confident80.2Confident87 Ų87100 Ų10045%0.44651%0.506SS..Hα-helixtrans-64.2-46.6-180-67.1170000109.5T248 E249 E250 V254 K255 T256T248-I252 HydrophobicContact CG2-CD1 3.96Å; T248-I252 HydrophobicContact CG2-CG1 4.5Å; T248-I252 VanDerWaalsContact O-CG1 3.28Å; T248-I252 WeakPolarHBondContact O-CG1 3.37Å; T248-I252 PolarHBondContact O-N 3.07Å; E249-I252 PolarHBondContact O-N 3.18Å; E250-I252 PolarHBondContact O-N 2.84Å; I252-V254 PolarHBondContact O-N 2.84Å; I252-K255 PolarHBondContact O-N 3.15Å; I252-T256 PolarHBondContact O-N 3.28Å; I252-T256 PolarHBondContact O-OG1 2.95Å; I252-T256 VanDerWaalsContact O-OG1 3.06Å
253S85.2Confident80Confident66 Ų66100.9 Ų100.946%0.46251%0.51SS..Hα-helixtrans-59.4-47.2179.6-1730000112.1E249 E250 K255 T256 I257E249-S253 WeakPolarHBondContact O-CB 3.44Å; E249-S253 PolarHBondContact O-N 2.77Å; E250-S253 PolarHBondContact O-N 2.7Å; S253-K255 VanDerWaalsContact C-N 3.33Å; S253-K255 PolarHBondContact O-N 3.33Å; S253-T256 PolarHBondContact O-N 3.34Å; S253-I257 WeakPolarHBondContact O-CD1 3.49Å; S253-I257 VanDerWaalsContact O-CG1 3.28Å; S253-I257 WeakPolarHBondContact O-CG1 3.31Å; S253-I257 PolarHBondContact O-N 3.1Å
254V86.8Confident79.4Confident100 Ų10098.6 Ų98.661%0.60651%0.506SS*.Hα-helixtrans-61.5-42.2177.7172.50000111.3E250 I252 I257 A258E250-V254 VanDerWaalsContact O-CG2 3.29Å; E250-V254 WeakPolarHBondContact O-CG2 3.46Å; E250-V254 PolarHBondContact O-N 2.82Å; I252-V254 PolarHBondContact O-N 2.84Å; V254-I257 PolarHBondContact O-N 2.94Å; V254-A258 WeakPolarHBondContact O-CB 3.44Å; V254-A258 PolarHBondContact O-N 2.8Å
255K86.6Confident78.6Confident94 Ų94100.6 Ų100.641%0.40951%0.511SS..Hα-helixtrans-64.8-44.4178.5179.7169.4171.3-176.20111.9W251 I252 S253 I257 A258 E259W251-K255 HydrophobicContact CE3-CB 4.12Å; W251-K255 HydrophobicContact CE3-CD 4.27Å; W251-K255 HydrophobicContact CH2-CB 4.48Å; W251-K255 HydrophobicContact CH2-CD 3.22Å; W251-K255 HydrophobicContact CH2-CG 4.44Å; W251-K255 HydrophobicContact CZ2-CD 4.17Å; W251-K255 HydrophobicContact CZ3-CB 3.91Å; W251-K255 HydrophobicContact CZ3-CD 3.28Å; W251-K255 HydrophobicContact CZ3-CG 4.16Å; W251-K255 WeakPolarHBondContact O-CB 3.1Å; W251-K255 PolarHBondContact O-N 2.83Å; I252-K255 PolarHBondContact O-N 3.15Å; S253-K255 VanDerWaalsContact C-N 3.33Å; S253-K255 PolarHBondContact O-N 3.33Å; K255-I257 PolarHBondContact O-N 2.83Å; K255-A258 PolarHBondContact O-N 2.96Å; K255-E259 WeakPolarHBondContact CE-OE1 3.23Å; K255-E259 IonicContact NZ-OE1 3.96Å; K255-E259 WeakPolarHBondContact O-CG 3.36Å; K255-E259 PolarHBondContact O-N 3.01Å
256T83.9Confident77.9Confident72 Ų72101.3 Ų101.344%0.44252%0.519SS..Hα-helixtrans-61.6-44.5177.7-56.90000111.2I252 S253 A258 E259 T260I252-T256 PolarHBondContact O-N 3.28Å; I252-T256 PolarHBondContact O-OG1 2.95Å; I252-T256 VanDerWaalsContact O-OG1 3.06Å; S253-T256 PolarHBondContact O-N 3.34Å; T256-A258 VanDerWaalsContact C-N 3.32Å; T256-A258 PolarHBondContact O-N 3.1Å; T256-E259 PolarHBondContact O-N 3.02Å; T256-T260 PolarHBondContact O-N 3.38Å; T256-T260 PolarHBondContact O-OG1 3.13Å
257I86.5Confident76.6Confident102 Ų102104.3 Ų104.352%0.52353%0.533SS..Hα-helixtrans-59.9-43.1176.6-66.3163.7000111.1S253 V254 K255 E259 T260 T261S253-I257 WeakPolarHBondContact O-CD1 3.49Å; S253-I257 VanDerWaalsContact O-CG1 3.28Å; S253-I257 WeakPolarHBondContact O-CG1 3.31Å; S253-I257 PolarHBondContact O-N 3.1Å; V254-I257 PolarHBondContact O-N 2.94Å; K255-I257 PolarHBondContact O-N 2.83Å; I257-E259 VanDerWaalsContact C-N 3.35Å; I257-E259 PolarHBondContact O-N 3Å; I257-T260 PolarHBondContact O-N 2.81Å; I257-T261 WeakPolarHBondContact O-CB 3.33Å; I257-T261 PolarHBondContact O-N 3.19Å; I257-T261 PolarHBondContact O-OG1 3.13Å
258A80.9Confident75.5Confident46 Ų46106.2 Ų106.238%0.3854%0.542SS..Hα-helixtrans-65.7-36.5178.900000112.6V254 K255 T256 K262V254-A258 WeakPolarHBondContact O-CB 3.44Å; V254-A258 PolarHBondContact O-N 2.8Å; K255-A258 PolarHBondContact O-N 2.96Å; T256-A258 VanDerWaalsContact C-N 3.32Å; T256-A258 PolarHBondContact O-N 3.1Å; A258-K262 VanDerWaalsContact O-CG 3.31Å; A258-K262 WeakPolarHBondContact O-CG 3.45Å; A258-K262 PolarHBondContact O-N 3.33Å
259E79.3Confident74.3Confident101 Ų101114.4 Ų114.447%0.47257%0.567SS.*Hα-helixtrans-69.7-46.9175.5-75.2172.1176.900111.2K255 T256 I257 T261 K262 E263K255-E259 WeakPolarHBondContact CE-OE1 3.23Å; K255-E259 IonicContact NZ-OE1 3.96Å; K255-E259 WeakPolarHBondContact O-CG 3.36Å; K255-E259 PolarHBondContact O-N 3.01Å; T256-E259 PolarHBondContact O-N 3.02Å; I257-E259 VanDerWaalsContact C-N 3.35Å; I257-E259 PolarHBondContact O-N 3Å; E259-T261 VanDerWaalsContact C-N 3.31Å; E259-T261 PolarHBondContact O-N 3.29Å; E259-K262 WeakPolarHBondContact O-CB 3.35Å; E259-K262 PolarHBondContact O-N 2.96Å; E259-K262 VanDerWaalsContact O-N 3.14Å; E259-E263 WeakPolarHBondContact O-CG 3.27Å; E259-E263 PolarHBondContact O-N 2.7Å; E259-E263 VanDerWaalsContact O-N 3.13Å
260T75.3Confident72.8Confident80 Ų80115.6 Ų115.649%0.49158%0.575SS.*Hα-helixtrans-61.8-38177-48.40000112.2T256 I257 K262 E263 V264T256-T260 PolarHBondContact O-N 3.38Å; T256-T260 PolarHBondContact O-OG1 3.13Å; I257-T260 PolarHBondContact O-N 2.81Å; T260-K262 VanDerWaalsContact C-N 3.31Å; T260-K262 PolarHBondContact O-N 3.15Å; T260-E263 PolarHBondContact O-N 2.01Å; T260-V264 HydrophobicContact CG2-CG2 4.5Å; T260-V264 VanDerWaalsContact O-CG2 3.3Å; T260-V264 WeakPolarHBondContact O-CG2 3.05Å; T260-V264 PolarHBondContact O-N 3.47Å
261T74.8Confident71.4Confident76 Ų76117 Ų11747%0.46659%0.587SS.*Hα-helixtrans-65.4-35.9177.5-53.30000111.7I257 E259 Q265I257-T261 WeakPolarHBondContact O-CB 3.33Å; I257-T261 PolarHBondContact O-N 3.19Å; I257-T261 PolarHBondContact O-OG1 3.13Å; E259-T261 VanDerWaalsContact C-N 3.31Å; E259-T261 PolarHBondContact O-N 3.29Å; T261-Q265 WeakPolarHBondContact O-CB 3.04Å; T261-Q265 PolarHBondContact O-N 3.43Å; T261-Q265 VanDerWaalsContact O-N 3.13Å
262K70.3Confident70.2Confident152 Ų152117 Ų11766%0.66160%0.602SS**Hα-helixtrans-67.8-38.8175.9-73.7174.3-176.6-179.40112A258 E259 T260 Q265 Q266A258-K262 VanDerWaalsContact O-CG 3.31Å; A258-K262 WeakPolarHBondContact O-CG 3.45Å; A258-K262 PolarHBondContact O-N 3.33Å; E259-K262 WeakPolarHBondContact O-CB 3.35Å; E259-K262 PolarHBondContact O-N 2.96Å; E259-K262 VanDerWaalsContact O-N 3.14Å; T260-K262 VanDerWaalsContact C-N 3.31Å; T260-K262 PolarHBondContact O-N 3.15Å; K262-Q265 PolarHBondContact O-N 3.47Å; K262-Q266 PolarHBondContact O-N 2.79Å; K262-Q266 VanDerWaalsContact O-N 3.15Å
263E66.4Low68.4Low150 Ų150120.6 Ų120.670%0.70162%0.623SS**Hα-helixtrans-69.5-41.9178.6-58.4-129.6143.200111.6E259 T260 Q265 Q266 D267E259-E263 WeakPolarHBondContact O-CG 3.27Å; E259-E263 PolarHBondContact O-N 2.7Å; E259-E263 VanDerWaalsContact O-N 3.13Å; T260-E263 PolarHBondContact O-N 2.01Å; E263-Q265 VanDerWaalsContact C-N 3.27Å; E263-Q265 PolarHBondContact O-N 2.93Å; E263-Q266 PolarHBondContact O-N 3.24Å; E263-Q266 VanDerWaalsContact O-N 3.16Å; E263-D267 PolarHBondContact O-N 3.44Å; E263-D267 VanDerWaalsContact O-N 3.1Å
264V61.1Low66.6Low89 Ų89125.5 Ų125.554%0.53964%0.643SS.*Hα-helixtrans-61.7-35.1175.2173.40000111.8T260 Q268T260-V264 HydrophobicContact CG2-CG2 4.5Å; T260-V264 VanDerWaalsContact O-CG2 3.3Å; T260-V264 WeakPolarHBondContact O-CG2 3.05Å; T260-V264 PolarHBondContact O-N 3.47Å; V264-Q268 PolarHBondContact O-N 3.32Å
265Q58.9Low64.6Low143 Ų143123.8 Ų123.867%0.66865%0.646SS**Hα-helixtrans-80.3-17.1179.4-158.7156.87.400113.7T261 K262 E263T261-Q265 WeakPolarHBondContact O-CB 3.04Å; T261-Q265 PolarHBondContact O-N 3.43Å; T261-Q265 VanDerWaalsContact O-N 3.13Å; K262-Q265 PolarHBondContact O-N 3.47Å; E263-Q265 VanDerWaalsContact C-N 3.27Å; E263-Q265 PolarHBondContact O-N 2.93Å
266Q58.3Low62.6Low147 Ų147128.6 Ų128.669%0.68767%0.67SS**Hα-helixtrans-83.6-38.2174.1-169.3112.1-11.300111.4K262 E263 Q268 R269K262-Q266 PolarHBondContact O-N 2.79Å; K262-Q266 VanDerWaalsContact O-N 3.15Å; E263-Q266 PolarHBondContact O-N 3.24Å; E263-Q266 VanDerWaalsContact O-N 3.16Å; Q266-Q268 VanDerWaalsContact C-N 3.34Å; Q266-R269 PolarHBondContact O-N 3.14Å
267D55.2Low60.6Low129 Ų129137.7 Ų137.769%0.6971%0.707SS**Hα-helixtrans-67.8-34.5178.6-154.636.2000111.6E263 R269 I270E263-D267 PolarHBondContact O-N 3.44Å; E263-D267 VanDerWaalsContact O-N 3.1Å; D267-R269 PolarHBondContact O-N 3.33Å; D267-R269 VanDerWaalsContact O-N 3.16Å; D267-I270 PolarHBondContact O-N 3.45Å
268Q57.4Low59.3Low170 Ų170139.5 Ų139.579%0.79472%0.717SS**THydrogen-bonded Turntrans-75.92.2177.9-133.5177.5-30.900115V264 Q266V264-Q268 PolarHBondContact O-N 3.32Å; Q266-Q268 VanDerWaalsContact C-N 3.34Å
269R54.2Low58.1Low225 Ų225144.4 Ų144.485%0.84973%0.734SS**THydrogen-bonded Turntrans-103-3.3176.9-169.6176.4-88.4-152.2-3.4112.9Q266 D267Q266-R269 PolarHBondContact O-N 3.14Å; D267-R269 PolarHBondContact O-N 3.33Å; D267-R269 VanDerWaalsContact O-N 3.16Å
270I55Low57Low127 Ų127146.8 Ų146.865%0.65175%0.749SS**SBendtrans-113.565.4179.2-49.6175.3000108.5D267D267-I270 PolarHBondContact O-N 3.45Å
271D55.1Low55.9Low158 Ų158150.7 Ų150.785%0.84576%0.764SS**SBendtrans-17358165.3-90.9-32000110
272V56.8Low54.7Low142 Ų142155.4 Ų155.486%0.86178%0.783SS**  trans-159.793.2152.7-173.10000107.7
273D47.7Very low53.7Low164 Ų164155.6 Ų155.688%0.87779%0.791SS**  trans-158.877.1143.7-157.843.8000108.4
274D47.5Very low52.8Low168 Ų168156 Ų15690%0.89880%0.797SS**  trans-98.3117.5158.9-98.7-41.2000107.1
275G46.1Very low52.1Low64 Ų64161.2 Ų161.266%0.6682%0.817SS**  90.7146.2129.300000120.2
276E44.1Very low51.6Low196 Ų196162.7 Ų162.792%0.91683%0.829SS**  trans85124.9164.6-56.5-177.4160.100115.2
277E41.3Very low50.9Low262 Ų262164.1 Ų164.1100%1.22484%0.842SS**  cis-162.205.9-160.2178.4176.900108.2

Retrieved 277 of 277 residues in 70.5 ms (Link to these results)

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