A0A077ZDI0_TRITR Loading...

Carboxypeptidase A1

AlphaFold DB , UniProt , Accession A0A077ZDI0, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 372 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
1M26.8Very low28.3Very low227 Ų227113.4 Ų113.4100%1.11863%0.634SS**  066.60-66.6173.3-176.700108.1
2N23.2Very low28.7Very low161 Ų161108.1 Ų108.186%0.86162%0.615SS**  trans-113.887.8167.2-94.67.4000104.9S4N2-S4 PolarHBondContact O-N 3.34Å
3D28.2Very low29.4Very low161 Ų161104 Ų10486%0.86159%0.594SS**  trans-75.594.8172-64.1-33.1000107.2
4S23.8Very low30Very low90 Ų9099.1 Ų99.163%0.62957%0.565SS**  trans-11477171.763.90000109.2N2 D6N2-S4 PolarHBondContact O-N 3.34Å; S4-D6 PolarHBondContact O-N 3.26Å
5C22.9Very low30.5Very low117 Ų117101.5 Ų101.579%0.79157%0.566SS**  trans-82.452.6162.9-71.60000109.9F7C5-F7 VanDerWaalsContact C-N 3.27Å; C5-F7 PolarHBondContact O-N 3.21Å
6D24.9Very low31.2Very low90 Ų90100.8 Ų100.848%0.48156%0.561SS.*THydrogen-bonded Turntrans-82.29.7-173.6-95.3-19.6000114.5S4S4-D6 PolarHBondContact O-N 3.26Å
7F24.8Very low31.9Very low180 Ų18097.4 Ų97.479%0.78954%0.541SS*.THydrogen-bonded Turntrans-133.842.7-173.2-71.3-75.7000116.2C5C5-F7 VanDerWaalsContact C-N 3.27Å; C5-F7 PolarHBondContact O-N 3.21Å
8M31.6Very low32.5Very low76 Ų7693.8 Ų93.837%0.37452%0.524SS..THydrogen-bonded Turntrans-12977135-72.9-157.176.400107.6V110 L116M8-V110 HydrophobicContact CE-CG2 4.01Å; M8-L116 HydrophobicContact CE-CD2 4.27Å; M8-L116 HydrophobicContact SD-CD2 3.77Å
9T36.1Very low33.2Very low36 Ų3695.3 Ų95.322%0.22153%0.527CS..THydrogen-bonded Turntrans56.495.3-177.2640000112.7T13 L14 L17 M48T9-T13 HydrophobicContact CG2-CG2 3.52Å; T9-L14 VanDerWaalsContact OG1-CD2 3.24Å; T9-L14 WeakPolarHBondContact OG1-CD2 3.48Å; T9-L14 VanDerWaalsContact OG1-CG 3.28Å; T9-L14 WeakPolarHBondContact OG1-CG 3.4Å; T9-L17 HydrophobicContact CG2-CD1 4.03Å; T9-M48 HydrophobicContact CG2-CE 4.42Å; T9-M48 HydrophobicContact CG2-SD 3.95Å; T9-M48 PolarHBondContact OG1-SD 2.9Å
10D35.5Very low33.9Very low56 Ų5697.4 Ų97.430%0.29953%0.532SS..  trans-46.6154.2159.764.7-1.7000109.5A12 T13 L14D10-A12 CarbonylContact O-C 3.32Å; D10-A12 PolarHBondContact O-N 3.41Å; D10-T13 WeakPolarHBondContact O-CA 3.25Å; D10-T13 PolarHBondContact O-N 2.84Å; D10-T13 WeakPolarHBondContact OD1-CA 3.33Å; D10-T13 WeakPolarHBondContact OD1-CB 3.03Å; D10-T13 PolarHBondContact OD1-N 3.3Å; D10-T13 PolarHBondContact OD1-OG1 3.44Å; D10-L14 PolarHBondContact O-N 3.22Å
11G33.8Very low34.5Very low53 Ų5394.1 Ų94.155%0.54651%0.513SS..Hα-helixtrans-54.1-19.6179.200000113K15G11-K15 WeakPolarHBondContact O-CB 3.5Å; G11-K15 WeakPolarHBondContact O-CG 3.23Å; G11-K15 PolarHBondContact O-N 2.79Å
12A33.2Very low35.4Very low50 Ų5090.9 Ų90.941%0.41349%0.492SS..Hα-helixtrans-71.5-39.917100000113.1D10 K15 N16D10-A12 CarbonylContact O-C 3.32Å; D10-A12 PolarHBondContact O-N 3.41Å; A12-K15 CarbonylContact O-C 3.5Å; A12-K15 WeakPolarHBondContact O-CB 3.03Å; A12-K15 PolarHBondContact O-N 3.44Å; A12-N16 WeakPolarHBondContact O-CB 3.38Å; A12-N16 VanDerWaalsContact O-CG 3.23Å; A12-N16 PolarHBondContact O-N 3.09Å
13T38Very low36.5Very low55 Ų5586.4 Ų86.434%0.33747%0.466SS..Hα-helixtrans-72.1-37.3174.5-55.10000110.9T9 D10 K15 N16 L17T9-T13 HydrophobicContact CG2-CG2 3.52Å; D10-T13 WeakPolarHBondContact O-CA 3.25Å; D10-T13 PolarHBondContact O-N 2.84Å; D10-T13 WeakPolarHBondContact OD1-CA 3.33Å; D10-T13 WeakPolarHBondContact OD1-CB 3.03Å; D10-T13 PolarHBondContact OD1-N 3.3Å; D10-T13 PolarHBondContact OD1-OG1 3.44Å; T13-K15 VanDerWaalsContact C-N 3.32Å; T13-K15 PolarHBondContact O-N 3.42Å; T13-N16 CarbonylContact O-C 3.55Å; T13-N16 PolarHBondContact O-N 3.38Å; T13-N16 VanDerWaalsContact O-N 3.12Å; T13-L17 HydrophobicContact CG2-CD1 4.32Å; T13-L17 HydrophobicContact CG2-CG 4.43Å; T13-L17 WeakPolarHBondContact O-CB 3.31Å; T13-L17 VanDerWaalsContact O-CG 3.3Å; T13-L17 WeakPolarHBondContact O-CG 3.29Å; T13-L17 PolarHBondContact O-N 3.35Å
14L37.3Very low37.4Very low35 Ų3588.1 Ų88.118%0.18347%0.469CS..Hα-helixtrans-62.8-40.5169.8-71.1175.8000111.8T9 D10 S18 M48T9-L14 VanDerWaalsContact OG1-CD2 3.24Å; T9-L14 WeakPolarHBondContact OG1-CD2 3.48Å; T9-L14 VanDerWaalsContact OG1-CG 3.28Å; T9-L14 WeakPolarHBondContact OG1-CG 3.4Å; D10-L14 PolarHBondContact O-N 3.22Å; L14-S18 WeakPolarHBondContact O-CB 3.33Å; L14-S18 PolarHBondContact O-N 2.03Å; L14-M48 HydrophobicContact CD2-CE 3.5Å; L14-M48 VanDerWaalsContact CD2-CE 3.5Å; L14-M48 HydrophobicContact CD2-CG 3.79Å; L14-M48 HydrophobicContact CD2-SD 3.8Å
15K37.7Very low38.3Very low136 Ų13688.7 Ų88.759%0.59147%0.465SS*.Hα-helixtrans-65.1-36.8169.8-87-179176.4177.40112.5G11 A12 T13 S18 Q19G11-K15 WeakPolarHBondContact O-CB 3.5Å; G11-K15 WeakPolarHBondContact O-CG 3.23Å; G11-K15 PolarHBondContact O-N 2.79Å; A12-K15 CarbonylContact O-C 3.5Å; A12-K15 WeakPolarHBondContact O-CB 3.03Å; A12-K15 PolarHBondContact O-N 3.44Å; T13-K15 VanDerWaalsContact C-N 3.32Å; T13-K15 PolarHBondContact O-N 3.42Å; K15-S18 CarbonylContact O-C 3.59Å; K15-S18 PolarHBondContact O-N 2.9Å; K15-S18 PolarHBondContact O-OG 3.14Å; K15-Q19 VanDerWaalsContact O-CB 3.24Å; K15-Q19 WeakPolarHBondContact O-CB 3.18Å; K15-Q19 WeakPolarHBondContact O-CG 3.33Å; K15-Q19 PolarHBondContact O-N 3.43Å
16N41.9Very low39.2Very low89 Ų8983.5 Ų83.548%0.47643%0.43SS..Hα-helixtrans-70.7-40.3178.1-78.4-17.4000110.8A12 T13 S18 Q19 Q20A12-N16 WeakPolarHBondContact O-CB 3.38Å; A12-N16 VanDerWaalsContact O-CG 3.23Å; A12-N16 PolarHBondContact O-N 3.09Å; T13-N16 CarbonylContact O-C 3.55Å; T13-N16 PolarHBondContact O-N 3.38Å; T13-N16 VanDerWaalsContact O-N 3.12Å; N16-S18 VanDerWaalsContact C-N 3.34Å; N16-Q19 CarbonylContact O-C 3.6Å; N16-Q19 PolarHBondContact O-N 3.15Å; N16-Q20 WeakPolarHBondContact O-CA 3.09Å; N16-Q20 WeakPolarHBondContact O-CB 3.31Å; N16-Q20 PolarHBondContact O-N 3.09Å
17L43.2Very low40Very low44 Ų4484.5 Ų84.523%0.2344%0.435CS..Hα-helixtrans-62.4-44.7170.5-69.6167.1000109.4T9 T13 Q19 Q20 F21 M48T9-L17 HydrophobicContact CG2-CD1 4.03Å; T13-L17 HydrophobicContact CG2-CD1 4.32Å; T13-L17 HydrophobicContact CG2-CG 4.43Å; T13-L17 WeakPolarHBondContact O-CB 3.31Å; T13-L17 VanDerWaalsContact O-CG 3.3Å; T13-L17 WeakPolarHBondContact O-CG 3.29Å; T13-L17 PolarHBondContact O-N 3.35Å; L17-Q19 PolarHBondContact O-N 3.43Å; L17-Q20 PolarHBondContact O-N 3.05Å; L17-F21 HydrophobicContact CB-CD2 4.29Å; L17-F21 HydrophobicContact CB-CE2 4.45Å; L17-F21 HydrophobicContact CD2-CD2 4.3Å; L17-F21 HydrophobicContact CD2-CE2 3.63Å; L17-F21 WeakPolarHBondContact O-CB 3Å; L17-F21 WeakPolarHBondContact O-CD2 3.42Å; L17-F21 PolarHBondContact O-N 3.34Å; L17-M48 HydrophobicContact CD1-CE 4.01Å
18S42.5Very low41Very low33 Ų3377.1 Ų77.123%0.23140%0.402CS..Hα-helixtrans-68.2-22.8176.891.50000114L14 K15 N16 K22 Y28L14-S18 WeakPolarHBondContact O-CB 3.33Å; L14-S18 PolarHBondContact O-N 2.03Å; K15-S18 CarbonylContact O-C 3.59Å; K15-S18 PolarHBondContact O-N 2.9Å; K15-S18 PolarHBondContact O-OG 3.14Å; N16-S18 VanDerWaalsContact C-N 3.34Å; S18-K22 VanDerWaalsContact O-CB 3.22Å; S18-K22 WeakPolarHBondContact O-CB 3.49Å; S18-K22 VanDerWaalsContact O-CG 3.24Å; S18-K22 WeakPolarHBondContact O-CG 3.49Å; S18-K22 PolarHBondContact O-N 2.84Å; S18-Y28 WeakPolarHBondContact CA-OH 3.49Å; S18-Y28 PolarHBondContact O-OH 2.92Å
19Q46Very low41.4Very low122 Ų12276.8 Ų76.857%0.5740%0.404SS*.Hα-helixtrans-85.1-40.1173-77.7175.912.500111.5K15 N16 L17 F21 K22K15-Q19 VanDerWaalsContact O-CB 3.24Å; K15-Q19 WeakPolarHBondContact O-CB 3.18Å; K15-Q19 WeakPolarHBondContact O-CG 3.33Å; K15-Q19 PolarHBondContact O-N 3.43Å; N16-Q19 CarbonylContact O-C 3.6Å; N16-Q19 PolarHBondContact O-N 3.15Å; L17-Q19 PolarHBondContact O-N 3.43Å; Q19-F21 VanDerWaalsContact C-N 3.33Å; Q19-K22 WeakPolarHBondContact O-CB 3.14Å; Q19-K22 PolarHBondContact O-N 3.42Å
20Q46.7Very low41.7Very low136 Ų13676.6 Ų76.664%0.63640%0.402SS*.Hα-helixtrans-66.2-37.5179.3-178.7176.2-4.600110.9N16 L17N16-Q20 WeakPolarHBondContact O-CA 3.09Å; N16-Q20 WeakPolarHBondContact O-CB 3.31Å; N16-Q20 PolarHBondContact O-N 3.09Å; L17-Q20 PolarHBondContact O-N 3.05Å
21F46.5Very low41.7Very low29 Ų2974.6 Ų74.613%0.12739%0.391CS..THydrogen-bonded Turntrans-1007.1-180-62.7-61.4000113.8L17 Q19 H23 Y28 L87 E88L17-F21 HydrophobicContact CB-CD2 4.29Å; L17-F21 HydrophobicContact CB-CE2 4.45Å; L17-F21 HydrophobicContact CD2-CD2 4.3Å; L17-F21 HydrophobicContact CD2-CE2 3.63Å; L17-F21 WeakPolarHBondContact O-CB 3Å; L17-F21 WeakPolarHBondContact O-CD2 3.42Å; L17-F21 PolarHBondContact O-N 3.34Å; Q19-F21 VanDerWaalsContact C-N 3.33Å; F21-H23 VanDerWaalsContact C-N 3.31Å; F21-H23 PolarHBondContact O-N 3.12Å; F21-Y28 HydrophobicContact CB-CE1 4.19Å; F21-Y28 WeakPolarHBondContact O-CE1 3.41Å; F21-Y28 PolarHBondContact O-OH 2.91Å; F21-L87 HydrophobicContact CB-CD1 4.19Å; F21-L87 HydrophobicContact CD1-CB 4.2Å; F21-L87 HydrophobicContact CD1-CD1 4.44Å; F21-L87 HydrophobicContact CD2-CD1 4.24Å; F21-L87 HydrophobicContact CG-CD1 4.04Å; F21-E88 HydrophobicContact CD1-CG 4.27Å; F21-E88 HydrophobicContact CE1-CG 3.63Å; F21-E88 WeakPolarHBondContact CE1-OE1 3.02Å
22K45.1Very low41.5Very low159 Ų15978.9 Ų78.969%0.69140%0.4SS*.  trans-61.890.2-179-131.2178.3-171-169.40110.2S18 Q19 Y28S18-K22 VanDerWaalsContact O-CB 3.22Å; S18-K22 WeakPolarHBondContact O-CB 3.49Å; S18-K22 VanDerWaalsContact O-CG 3.24Å; S18-K22 WeakPolarHBondContact O-CG 3.49Å; S18-K22 PolarHBondContact O-N 2.84Å; Q19-K22 WeakPolarHBondContact O-CB 3.14Å; Q19-K22 PolarHBondContact O-N 3.42Å; K22-Y28 PolarHBondContact N-OH 3.15Å
23H46.3Very low41.4Very low68 Ų6877.5 Ų77.532%0.31539%0.387SS..  trans-88.9129.3174.2-120.8-71.2000108.6F21 N25 I26 D91F21-H23 VanDerWaalsContact C-N 3.31Å; F21-H23 PolarHBondContact O-N 3.12Å; H23-N25 PolarHBondContact O-N 2.9Å; H23-I26 HydrophobicContact CB-CB 3.88Å; H23-I26 HydrophobicContact CB-CD1 3.84Å; H23-I26 HydrophobicContact CB-CG1 3.77Å; H23-I26 PolarHBondContact O-N 3.22Å; H23-D91 IonicContact CE1-OD2 2.84Å; H23-D91 PolarHBondContact CE1-OD2 2.98Å; H23-D91 IonicContact ND1-OD2 3.2Å; H23-D91 PolarHBondContact ND1-OD2 3.04Å; H23-D91 IonicContact NE2-OD2 2.71Å
24E47.8Very low40.8Very low197 Ų19781.3 Ų81.392%0.92141%0.405SS*.THydrogen-bonded Turntrans-57.3-20.3177.7-67.2-175.3164.500113.1
25N43Very low40.5Very low102 Ų10285 Ų8555%0.54543%0.429SS..THydrogen-bonded Turntrans-112-8.8-174.4-60.6-37.2000114.9H23 L54 Y90H23-N25 PolarHBondContact O-N 2.9Å; N25-L54 WeakPolarHBondContact O-CD2 3.32Å; N25-Y90 HydrophobicContact CB-CE1 4.41Å
26I40.7Very low40.4Very low8 Ų884.9 Ų84.94%0.04143%0.431CS..  trans-111.9106.5-178.6-51.6172.8000108.6H23 Y28 L87 Y90 V100H23-I26 HydrophobicContact CB-CB 3.88Å; H23-I26 HydrophobicContact CB-CD1 3.84Å; H23-I26 HydrophobicContact CB-CG1 3.77Å; H23-I26 PolarHBondContact O-N 3.22Å; I26-Y28 HydrophobicContact CG2-CD1 4.2Å; I26-Y28 PolarHBondContact O-N 2.98Å; I26-L87 HydrophobicContact CG2-CD2 4.44Å; I26-Y90 VanDerWaalsContact CD1-CB 3.46Å; I26-Y90 HydrophobicContact CD1-CD1 3.35Å; I26-Y90 HydrophobicContact CD1-CD2 4.03Å; I26-Y90 HydrophobicContact CD1-CE1 4.05Å; I26-Y90 HydrophobicContact CD1-CG 3.32Å; I26-Y90 HydrophobicContact CG1-CD1 3.47Å; I26-Y90 VanDerWaalsContact CG1-CD1 3.47Å; I26-Y90 HydrophobicContact CG1-CD2 4.24Å; I26-Y90 HydrophobicContact CG1-CE1 3.61Å; I26-Y90 HydrophobicContact CG1-CE2 4.36Å; I26-Y90 HydrophobicContact CG1-CG 3.8Å; I26-V100 HydrophobicContact CG2-CG1 4.45Å
27N43.3Very low40.2Very low111 Ų11181.8 Ų81.859%0.59441%0.413SS*.  trans-74.576162.2-88.4-19.1000108.7T29N27-T29 PolarHBondContact O-N 3.39Å
28Y45.8Very low39.6Very low25 Ų2582.8 Ų82.810%0.09842%0.417CS..  trans-79.9115.3156.367.3-77.8000105.6S18 F21 K22 I26 I30 L87S18-Y28 WeakPolarHBondContact CA-OH 3.49Å; S18-Y28 PolarHBondContact O-OH 2.92Å; F21-Y28 HydrophobicContact CB-CE1 4.19Å; F21-Y28 WeakPolarHBondContact O-CE1 3.41Å; F21-Y28 PolarHBondContact O-OH 2.91Å; K22-Y28 PolarHBondContact N-OH 3.15Å; I26-Y28 HydrophobicContact CG2-CD1 4.2Å; I26-Y28 PolarHBondContact O-N 2.98Å; Y28-I30 HydrophobicContact CD2-CG1 4.13Å; Y28-I30 HydrophobicContact CE2-CD1 4.47Å; Y28-I30 HydrophobicContact CE2-CG1 4.13Å; Y28-I30 PolarHBondContact O-N 3.49Å; Y28-L87 HydrophobicContact CD1-CD2 4.13Å; Y28-L87 HydrophobicContact CG-CD2 4.15Å
29T40Very low39.7Very low69 Ų6984.3 Ų84.342%0.42342%0.423SS..EExtended strand (participates in β ladder)trans-84.7113.7165-50.50000103.6N27 V31N27-T29 PolarHBondContact O-N 3.39Å; T29-V31 HydrophobicContact CG2-CB 4.22Å; T29-V31 HydrophobicContact CG2-CG2 3.65Å; T29-V31 WeakPolarHBondContact O-CG2 3.25Å; T29-V31 PolarHBondContact O-N 3.14Å
30I40.9Very low39.7Very low32 Ų3278.7 Ų78.716%0.16440%0.397CS..EExtended strand (participates in β ladder)trans-62.395.2149-61.1179.6000102.1Y28 I32 F50Y28-I30 HydrophobicContact CD2-CG1 4.13Å; Y28-I30 HydrophobicContact CE2-CD1 4.47Å; Y28-I30 HydrophobicContact CE2-CG1 4.13Å; Y28-I30 PolarHBondContact O-N 3.49Å; I30-I32 HydrophobicContact CG2-CG1 4.13Å; I30-I32 PolarHBondContact O-N 3.49Å; I30-F50 HydrophobicContact CG1-CE1 4.36Å
31V35.8Very low39.5Very low13 Ų1372.8 Ų72.88%0.07937%0.37CS..  trans-73.786.3-175.7-1740000105.7T29 P33 Q37 Q51T29-V31 HydrophobicContact CG2-CB 4.22Å; T29-V31 HydrophobicContact CG2-CG2 3.65Å; T29-V31 WeakPolarHBondContact O-CG2 3.25Å; T29-V31 PolarHBondContact O-N 3.14Å; V31-P33 WeakPolarHBondContact O-CD 3.42Å; V31-Q37 HydrophobicContact CG1-CG 4.45Å; V31-Q51 HydrophobicContact CG2-CB 3.69Å
32I30Very low39.4Very low143 Ų14377.6 Ų77.673%0.73339%0.391SS*.  trans-70.4103.7159.8-54.3178.6000103.2I30I30-I32 HydrophobicContact CG2-CG1 4.13Å; I30-I32 PolarHBondContact O-N 3.49Å
33P30.2Very low39.5Very low21 Ų2171.2 Ų71.214%0.13637%0.368CS..  trans-59.6142.4-153.9-39.345.9000118.9V31 Q37 M38 C41V31-P33 WeakPolarHBondContact O-CD 3.42Å; P33-Q37 HydrophobicContact CB-CB 3.3Å; P33-Q37 WeakPolarHBondContact CB-O 3.44Å; P33-Q37 HydrophobicContact CG-CB 3.64Å; P33-Q37 WeakPolarHBondContact CG-O 3.24Å; P33-M38 VanDerWaalsContact CB-CA 3.5Å; P33-M38 HydrophobicContact CB-CB 4.2Å; P33-M38 HydrophobicContact CB-CG 3.76Å; P33-M38 WeakPolarHBondContact O-CG 3.03Å; P33-C41 VanDerWaalsContact CD-SG 3.54Å; P33-C41 HydrophobicContact CG-CB 3.71Å; P33-C41 WeakPolarHBondContact CG-SG 3.28Å
34D27.1Very low39.7Very low135 Ų13568 Ų6872%0.72235%0.353SS*.  trans-71166.4147.8-87-34.1000111E36 Q37 M38D34-E36 VanDerWaalsContact C-N 3.28Å; D34-E36 PolarHBondContact O-N 2.8Å; D34-Q37 PolarHBondContact O-N 3.21Å; D34-M38 PolarHBondContact O-N 2.53Å
35V29Very low39.8Very low113 Ų11362.9 Ų62.969%0.68534%0.339SS*.THydrogen-bonded Turntrans-46.3-34.4-159.4-172.70000116.5
36E36.2Very low40.2Very low134 Ų13464.7 Ų64.763%0.62635%0.349SS*.THydrogen-bonded Turntrans-80.7-36176.5-73.5-171.917600113.9D34 M38 D39D34-E36 VanDerWaalsContact C-N 3.28Å; D34-E36 PolarHBondContact O-N 2.8Å; E36-M38 PolarHBondContact O-N 3.19Å; E36-D39 PolarHBondContact O-N 3.48Å
37Q37.2Very low41Very low23 Ų2365.1 Ų65.111%0.10735%0.351CS..Hα-helixtrans-73.5-19.9174-78.7159.3-25.900110.1V31 P33 D34 D39 I40 C41 F194V31-Q37 HydrophobicContact CG1-CG 4.45Å; P33-Q37 HydrophobicContact CB-CB 3.3Å; P33-Q37 WeakPolarHBondContact CB-O 3.44Å; P33-Q37 HydrophobicContact CG-CB 3.64Å; P33-Q37 WeakPolarHBondContact CG-O 3.24Å; D34-Q37 PolarHBondContact O-N 3.21Å; Q37-D39 PolarHBondContact O-N 3.45Å; Q37-I40 PolarHBondContact O-N 3.43Å; Q37-C41 PolarHBondContact O-N 2.02Å; Q37-F194 HydrophobicContact CG-CD2 4.3Å; Q37-F194 HydrophobicContact CG-CE2 3.76Å
38M30.9Very low42.4Very low65 Ų6560.7 Ų60.732%0.3233%0.327SS..Hα-helixtrans-62.3-28.2177.8-73.9178.68500110.2P33 D34 E36 I40 K42P33-M38 VanDerWaalsContact CB-CA 3.5Å; P33-M38 HydrophobicContact CB-CB 4.2Å; P33-M38 HydrophobicContact CB-CG 3.76Å; P33-M38 WeakPolarHBondContact O-CG 3.03Å; D34-M38 PolarHBondContact O-N 2.53Å; E36-M38 PolarHBondContact O-N 3.19Å; M38-I40 VanDerWaalsContact C-N 3.34Å; M38-K42 HydrophobicContact CB-CD 4.3Å; M38-K42 WeakPolarHBondContact O-CA 3.38Å; M38-K42 WeakPolarHBondContact O-CB 3.32Å; M38-K42 WeakPolarHBondContact O-CG 3.4Å; M38-K42 PolarHBondContact O-N 2.99Å
39D45.9Very low44.1Very low66 Ų6659.7 Ų59.735%0.35332%0.323SS..Hα-helixtrans-63.6-40.5175.7-83.66.2000111.2E36 Q37 A43 R193E36-D39 PolarHBondContact O-N 3.48Å; Q37-D39 PolarHBondContact O-N 3.45Å; D39-A43 WeakPolarHBondContact O-CB 3.43Å; D39-A43 PolarHBondContact O-N 3.48Å; D39-R193 IonicContact OD2-NH1 3.6Å; D39-R193 PolarHBondContact OD2-NH1 3.31Å
40I45.6Very low46.1Very low3 Ų357 Ų572%0.01531%0.306CS..Hα-helixtrans-64.8-55.5173.8-70.6166.6000110.7Q37 M38 K42 A43 M44 A190 F194Q37-I40 PolarHBondContact O-N 3.43Å; M38-I40 VanDerWaalsContact C-N 3.34Å; I40-K42 VanDerWaalsContact C-N 3.34Å; I40-K42 PolarHBondContact O-N 2.85Å; I40-A43 PolarHBondContact O-N 2.85Å; I40-M44 HydrophobicContact CG2-CE 3.84Å; I40-M44 HydrophobicContact CG2-SD 3.48Å; I40-M44 WeakPolarHBondContact CG2-SD 3.43Å; I40-M44 VanDerWaalsContact O-CB 3.26Å; I40-M44 WeakPolarHBondContact O-CB 3.33Å; I40-M44 WeakPolarHBondContact O-CG 3.16Å; I40-M44 PolarHBondContact O-N 2.91Å; I40-A190 HydrophobicContact CB-CB 4.42Å; I40-A190 HydrophobicContact CG1-CB 3.85Å; I40-F194 HydrophobicContact CD1-CB 3.3Å; I40-F194 HydrophobicContact CD1-CD1 4.05Å; I40-F194 HydrophobicContact CD1-CD2 3.26Å; I40-F194 HydrophobicContact CD1-CE2 4.05Å; I40-F194 HydrophobicContact CD1-CG 3.26Å; I40-F194 HydrophobicContact CG1-CB 4.16Å
41C41.3Very low48.3Very low12 Ų1257.4 Ų57.48%0.08131%0.307CS..Hα-helixtrans-68.4-33.5-174.8-70.90000112.6P33 Q37 M44 S45 N46P33-C41 VanDerWaalsContact CD-SG 3.54Å; P33-C41 HydrophobicContact CG-CB 3.71Å; P33-C41 WeakPolarHBondContact CG-SG 3.28Å; Q37-C41 PolarHBondContact O-N 2.02Å; C41-M44 CarbonylContact O-C 3.54Å; C41-M44 VanDerWaalsContact O-C 3.32Å; C41-M44 PolarHBondContact O-N 3.25Å; C41-S45 PolarHBondContact O-N 3.22Å; C41-N46 PolarHBondContact O-N 3.36Å
42K45.4Very low50.6Low131 Ų13156.9 Ų56.957%0.5730%0.304SS*.Hα-helixtrans-70.1-44.3173.8-73.1174.2177.8172.90111.5M38 I40 M44 S45M38-K42 HydrophobicContact CB-CD 4.3Å; M38-K42 WeakPolarHBondContact O-CA 3.38Å; M38-K42 WeakPolarHBondContact O-CB 3.32Å; M38-K42 WeakPolarHBondContact O-CG 3.4Å; M38-K42 PolarHBondContact O-N 2.99Å; I40-K42 VanDerWaalsContact C-N 3.34Å; I40-K42 PolarHBondContact O-N 2.85Å; K42-M44 PolarHBondContact O-N 3.1Å; K42-S45 PolarHBondContact O-N 3.33Å
43A46.2Very low53.2Low24 Ų2450.2 Ų50.220%0.19827%0.271CS..Hα-helixtrans-57.3-34.6173.700000110.8D39 I40 P186 A190D39-A43 WeakPolarHBondContact O-CB 3.43Å; D39-A43 PolarHBondContact O-N 3.48Å; I40-A43 PolarHBondContact O-N 2.85Å; A43-P186 HydrophobicContact CB-CB 3.96Å; A43-A190 HydrophobicContact CB-CB 3.93Å
44M50.7Low55.3Low1 Ų151 Ų511%0.00527%0.273CS..THydrogen-bonded Turntrans-102.424.7-176.4-57.7173.7-175.200113.2I40 C41 K42 N46 N47 L108 P113 A190 I191I40-M44 HydrophobicContact CG2-CE 3.84Å; I40-M44 HydrophobicContact CG2-SD 3.48Å; I40-M44 WeakPolarHBondContact CG2-SD 3.43Å; I40-M44 VanDerWaalsContact O-CB 3.26Å; I40-M44 WeakPolarHBondContact O-CB 3.33Å; I40-M44 WeakPolarHBondContact O-CG 3.16Å; I40-M44 PolarHBondContact O-N 2.91Å; C41-M44 CarbonylContact O-C 3.54Å; C41-M44 VanDerWaalsContact O-C 3.32Å; C41-M44 PolarHBondContact O-N 3.25Å; K42-M44 PolarHBondContact O-N 3.1Å; M44-N46 PolarHBondContact O-N 3.28Å; M44-N47 HydrophobicContact CB-CB 3.76Å; M44-N47 WeakPolarHBondContact O-CB 3.42Å; M44-N47 PolarHBondContact O-N 3.44Å; M44-N47 VanDerWaalsContact O-N 3.09Å; M44-L108 HydrophobicContact CE-CD2 3.46Å; M44-L108 VanDerWaalsContact CE-CD2 3.46Å; M44-L108 HydrophobicContact SD-CD1 3.63Å; M44-L108 HydrophobicContact SD-CD2 3.54Å; M44-L108 VanDerWaalsContact SD-CD2 3.54Å; M44-L108 HydrophobicContact SD-CG 4.17Å; M44-P113 HydrophobicContact CB-CG 4.03Å; M44-P113 WeakPolarHBondContact O-CG 3.36Å; M44-A190 HydrophobicContact CE-CB 4.33Å; M44-I191 HydrophobicContact CE-CD1 4.5Å; M44-I191 HydrophobicContact CE-CG1 4.1Å
45S51.3Low57.3Low90 Ų9048.6 Ų48.663%0.62927%0.267SS*.THydrogen-bonded Turntrans5345.6172.3-58.40000115.6C41 K42C41-S45 PolarHBondContact O-N 3.22Å; K42-S45 PolarHBondContact O-N 3.33Å
46N50.5Low59.2Low139 Ų13948.1 Ų48.174%0.74326%0.261SS*.THydrogen-bonded Turntrans67.330.4-176.1-56.5-46.8000115.3C41 M44C41-N46 PolarHBondContact O-N 3.36Å; M44-N46 PolarHBondContact O-N 3.28Å
47N58.1Low60.9Low18 Ų1846.8 Ų46.810%0.09625%0.251CS..  trans-63.7157.5177-133.2-20.6000114.1M44 F49 V110 P113M44-N47 HydrophobicContact CB-CB 3.76Å; M44-N47 WeakPolarHBondContact O-CB 3.42Å; M44-N47 PolarHBondContact O-N 3.44Å; M44-N47 VanDerWaalsContact O-N 3.09Å; N47-F49 PolarHBondContact O-N 3.05Å; N47-V110 VanDerWaalsContact ND2-CB 3.3Å; N47-V110 WeakPolarHBondContact ND2-CB 3.43Å; N47-V110 WeakPolarHBondContact ND2-CG1 3.5Å; N47-V110 PolarHBondContact ND2-O 3.02Å; N47-P113 WeakPolarHBondContact ND2-CB 3.43Å
48M72.1Confident63Low18 Ų1852 Ų529%0.08929%0.287CS..  trans-73.6115178.9-58.9173.86100110.2T9 L14 L17 F50 P109T9-M48 HydrophobicContact CG2-CE 4.42Å; T9-M48 HydrophobicContact CG2-SD 3.95Å; T9-M48 PolarHBondContact OG1-SD 2.9Å; L14-M48 HydrophobicContact CD2-CE 3.5Å; L14-M48 VanDerWaalsContact CD2-CE 3.5Å; L14-M48 HydrophobicContact CD2-CG 3.79Å; L14-M48 HydrophobicContact CD2-SD 3.8Å; L17-M48 HydrophobicContact CD1-CE 4.01Å; M48-F50 HydrophobicContact CB-CD2 4.35Å; M48-F50 HydrophobicContact CB-CE2 3.66Å; M48-F50 HydrophobicContact CB-CZ 4.35Å; M48-F50 HydrophobicContact CE-CE1 4.46Å; M48-F50 HydrophobicContact CE-CE2 3.59Å; M48-F50 HydrophobicContact CE-CZ 3.27Å; M48-P109 WeakPolarHBondContact O-CD 3.44Å
49F80.5Confident65.7Low3 Ų349.5 Ų49.51%0.01327%0.274CS..  trans-116.6127.1170.6180-113.5000109.3N47 W63 Y106 L108 F194N47-F49 PolarHBondContact O-N 3.05Å; F49-W63 HydrophobicContact CE2-CH2 4.17Å; F49-W63 AromaticContact CE2-CZ3 3.79Å; F49-W63 HydrophobicContact CE2-CZ3 3.79Å; F49-W63 HydrophobicContact CZ-CZ3 4.2Å; F49-Y106 AromaticContact CE1-CD1 3.87Å; F49-Y106 HydrophobicContact CE1-CD1 3.87Å; F49-Y106 HydrophobicContact CE1-CE1 4.42Å; F49-Y106 HydrophobicContact CE2-CD1 4.41Å; F49-Y106 AromaticContact CZ-CD1 3.43Å; F49-Y106 HydrophobicContact CZ-CD1 3.43Å; F49-Y106 VanDerWaalsContact CZ-CD1 3.43Å; F49-Y106 HydrophobicContact CZ-CE1 4.33Å; F49-Y106 HydrophobicContact CZ-CG 4.13Å; F49-L108 HydrophobicContact CD2-CB 4.13Å; F49-L108 HydrophobicContact CD2-CD1 4.3Å; F49-L108 HydrophobicContact CE2-CB 4.49Å; F49-F194 HydrophobicContact CE1-CE1 4.44Å; F49-F194 AromaticContact CE1-CE2 3.99Å; F49-F194 HydrophobicContact CE1-CE2 3.99Å; F49-F194 AromaticContact CE1-CZ 3.73Å; F49-F194 HydrophobicContact CE1-CZ 3.73Å; F49-F194 HydrophobicContact CZ-CD1 4.5Å; F49-F194 AromaticContact CZ-CE1 3.67Å; F49-F194 HydrophobicContact CZ-CE1 3.67Å; F49-F194 HydrophobicContact CZ-CE2 4Å; F49-F194 AromaticContact CZ-CZ 3.4Å; F49-F194 HydrophobicContact CZ-CZ 3.4Å
50F83.8Confident68Low13 Ų1347.6 Ų47.66%0.05727%0.265CS..EExtended strand (participates in β ladder)trans-111.8129.1-174.1-70.1-92.3000111I30 M48 I52 I83 Y106 I107 P109I30-F50 HydrophobicContact CG1-CE1 4.36Å; M48-F50 HydrophobicContact CB-CD2 4.35Å; M48-F50 HydrophobicContact CB-CE2 3.66Å; M48-F50 HydrophobicContact CB-CZ 4.35Å; M48-F50 HydrophobicContact CE-CE1 4.46Å; M48-F50 HydrophobicContact CE-CE2 3.59Å; M48-F50 HydrophobicContact CE-CZ 3.27Å; F50-I52 HydrophobicContact CB-CG1 4.4Å; F50-I83 HydrophobicContact CB-CD1 4.45Å; F50-I83 HydrophobicContact CD1-CG2 4.31Å; F50-I83 HydrophobicContact CD2-CD1 3.46Å; F50-I83 VanDerWaalsContact CD2-CD1 3.46Å; F50-I83 HydrophobicContact CD2-CG1 4.44Å; F50-I83 HydrophobicContact CE1-CG2 4.24Å; F50-I83 HydrophobicContact CE2-CD1 3.64Å; F50-I83 HydrophobicContact CG-CD1 3.91Å; F50-I83 HydrophobicContact CG-CG1 4.44Å; F50-I83 HydrophobicContact CZ-CD1 4.24Å; F50-Y106 CarbonylContact O-C 3.4Å; F50-Y106 WeakPolarHBondContact O-CA 3.17Å; F50-I107 HydrophobicContact CB-CB 4.21Å; F50-I107 PolarHBondContact N-O 2.91Å; F50-I107 PolarHBondContact O-N 3.31Å; F50-P109 HydrophobicContact CD2-CG 4.11Å; F50-P109 HydrophobicContact CE2-CG 4.11Å
51Q86.6Confident70.3Confident41 Ų4147.5 Ų47.519%0.19227%0.265CS..EExtended strand (participates in β ladder)trans-111.4113.6163.3-176.8-179.7-30.600108.4V31 T104 W105 Y106V31-Q51 HydrophobicContact CG2-CB 3.69Å; Q51-T104 HydrophobicContact CG-CG2 3.89Å; Q51-W105 CarbonylContact C-O 3.6Å; Q51-W105 VanDerWaalsContact CA-O 3.29Å; Q51-W105 WeakPolarHBondContact CA-O 3.39Å; Q51-Y106 HydrophobicContact CB-CD1 4.14Å; Q51-Y106 HydrophobicContact CB-CE1 3.97Å; Q51-Y106 HydrophobicContact CG-CD1 4.07Å; Q51-Y106 HydrophobicContact CG-CE1 3.55Å
52I84.2Confident73Confident1 Ų146.9 Ų46.91%0.00526%0.261CS..EExtended strand (participates in β ladder)trans-117.2121.7-179.2-53.2172.8000109F50 I83 L86 L87 V100 W105 I107F50-I52 HydrophobicContact CB-CG1 4.4Å; I52-I83 HydrophobicContact CD1-CB 4.46Å; I52-I83 HydrophobicContact CD1-CG1 4.29Å; I52-I83 HydrophobicContact CD1-CG2 4.06Å; I52-L86 HydrophobicContact CD1-CB 4.34Å; I52-L86 HydrophobicContact CD1-CD1 4.09Å; I52-L86 HydrophobicContact CG2-CB 4.48Å; I52-L87 HydrophobicContact CD1-CD2 4.3Å; I52-L87 HydrophobicContact CD1-CG 4.34Å; I52-L87 HydrophobicContact CG2-CD2 4.11Å; I52-V100 HydrophobicContact CG2-CG1 4.46Å; I52-V100 HydrophobicContact CG2-CG2 4.33Å; I52-W105 HydrophobicContact CB-CB 4.19Å; I52-W105 PolarHBondContact N-O 3.36Å; I52-W105 PolarHBondContact O-N 2.66Å; I52-I107 HydrophobicContact CD1-CD1 4.22Å
53G83.3Confident75.5Confident4 Ų440.7 Ų40.74%0.04123%0.234CC..SBendtrans157.6160178.200000110.8V100G53-V100 WeakPolarHBondContact CA-O 3.27Å
54L74.9Confident78Confident37 Ų3739.5 Ų39.519%0.19422%0.224CC..  trans-69.6145.3170.8-54-175.8000111.6N25 D56 K59 V100 D101N25-L54 WeakPolarHBondContact O-CD2 3.32Å; L54-D56 VanDerWaalsContact CB-OD1 3.22Å; L54-D56 WeakPolarHBondContact CB-OD1 3.42Å; L54-K59 WeakPolarHBondContact O-CE 3.38Å; L54-K59 PolarHBondContact O-NZ 3.11Å; L54-V100 PolarHBondContact N-O 3.35Å; L54-D101 HydrophobicContact CD1-CB 4.37Å; L54-D101 WeakPolarHBondContact CD1-OD1 3.49Å
55S69.9Low80.2Confident85 Ų8539.5 Ų39.559%0.59422%0.224SC*.SBendtrans-99.322.9-176.2-520000113.8
56D69.3Low82.4Confident103 Ų10335.2 Ų35.255%0.55119%0.194SC*.SBendtrans-88.4-26.4-167.954.3-24.7000114.1L54L54-D56 VanDerWaalsContact CB-OD1 3.22Å; L54-D56 WeakPolarHBondContact CB-OD1 3.42Å
57Y71.4Confident84.6Confident105 Ų10528.7 Ų28.741%0.41216%0.16SC..SBendtrans-155.5162175.456.9-82.4000112.2K59 D101Y57-K59 HydrophobicContact CD2-CD 4.25Å; Y57-K59 HydrophobicContact CD2-CG 3.59Å; Y57-K59 HydrophobicContact CE1-CD 4.34Å; Y57-K59 HydrophobicContact CE2-CD 3.68Å; Y57-K59 HydrophobicContact CE2-CG 3.29Å; Y57-K59 HydrophobicContact CG-CG 4.42Å; Y57-K59 PolarHBondContact O-N 3.42Å; Y57-D101 PolarHBondContact OH-O 2.88Å
58P81.5Confident86.5Confident133 Ų13327.9 Ų27.986%0.86416%0.156SC*.  trans-62.9128.4173-21.633.5000111.6
59K86.4Confident87.7Confident13 Ų1327.2 Ų27.26%0.05715%0.152CC..  trans-128.1152.4-175.4-72.2179.2-63.2172.60111.1L54 Y57 S61 V100 D101 L103L54-K59 WeakPolarHBondContact O-CE 3.38Å; L54-K59 PolarHBondContact O-NZ 3.11Å; Y57-K59 HydrophobicContact CD2-CD 4.25Å; Y57-K59 HydrophobicContact CD2-CG 3.59Å; Y57-K59 HydrophobicContact CE1-CD 4.34Å; Y57-K59 HydrophobicContact CE2-CD 3.68Å; Y57-K59 HydrophobicContact CE2-CG 3.29Å; Y57-K59 HydrophobicContact CG-CG 4.42Å; Y57-K59 PolarHBondContact O-N 3.42Å; K59-S61 PolarHBondContact O-N 2.89Å; K59-V100 PolarHBondContact NZ-O 3.16Å; K59-D101 WeakPolarHBondContact CD-O 3.38Å; K59-D101 PolarHBondContact NZ-O 2.76Å; K59-D101 VanDerWaalsContact NZ-O 3.16Å; K59-L103 WeakPolarHBondContact CE-O 3.3Å; K59-L103 PolarHBondContact NZ-O 2.64Å
60P94Very high88.5Confident26 Ų2627.2 Ų27.217%0.16915%0.153CC..  trans-60.9133.8169.128.6-36.2000110.3L103 T104 V203 V321 A325P60-L103 HydrophobicContact CB-CD2 4.46Å; P60-L103 HydrophobicContact CG-CD2 3.68Å; P60-L103 WeakPolarHBondContact O-CA 3.45Å; P60-T104 PolarHBondContact O-N 3.37Å; P60-V203 HydrophobicContact CB-CB 4.35Å; P60-V203 HydrophobicContact CB-CG2 3.57Å; P60-V321 HydrophobicContact CB-CG1 3.77Å; P60-V321 HydrophobicContact CG-CG1 4.1Å; P60-A325 HydrophobicContact CB-CB 4.24Å; P60-A325 HydrophobicContact CG-CB 3.81Å
61S94.5Very high89.2Confident0 Ų028.5 Ų28.50%016%0.157CC..EExtended strand (participates in β ladder)trans-102.9142.8-175-66.20000112.2K59 T104 E201 F202 V203 S204K59-S61 PolarHBondContact O-N 2.89Å; S61-T104 CarbonylContact C-O 3.59Å; S61-T104 WeakPolarHBondContact CA-O 3.45Å; S61-E201 PolarHBondContact N-O 3.35Å; S61-E201 WeakPolarHBondContact OG-CG 3.29Å; S61-E201 PolarHBondContact OG-OE1 2.89Å; S61-F202 WeakPolarHBondContact O-CA 3.48Å; S61-V203 PolarHBondContact O-N 3.41Å; S61-S204 PolarHBondContact O-N 3.3Å
62I97.9Very high89.8Confident0 Ų026.7 Ų26.70%015%0.149CC..EExtended strand (participates in β ladder)trans-109.6121.9170-60-168.2000107.8L103 T104 W105 Y106 A318 V321I62-L103 HydrophobicContact CD1-CD1 3.74Å; I62-L103 HydrophobicContact CG1-CD1 4.37Å; I62-T104 PolarHBondContact N-O 2.81Å; I62-W105 HydrophobicContact CB-CD2 4.42Å; I62-W105 HydrophobicContact CB-CE3 4.1Å; I62-W105 HydrophobicContact CB-CZ3 4.37Å; I62-W105 HydrophobicContact CD1-CE3 4.47Å; I62-W105 HydrophobicContact CD1-CH2 3.83Å; I62-W105 HydrophobicContact CD1-CZ2 4.03Å; I62-W105 HydrophobicContact CD1-CZ3 4.06Å; I62-W105 HydrophobicContact CG2-CE3 3.95Å; I62-W105 HydrophobicContact CG2-CZ3 3.93Å; I62-Y106 PolarHBondContact O-N 2.86Å; I62-A318 HydrophobicContact CD1-CB 4.14Å; I62-V321 HydrophobicContact CD1-CB 4.47Å; I62-V321 HydrophobicContact CD1-CG2 4.11Å; I62-V321 HydrophobicContact CG1-CG2 4.24Å
63W98Very high90.4Very high0 Ų029.8 Ų29.80%016%0.161CC..EExtended strand (participates in β ladder)trans-88.4129.8164.5177.3-85.6000109.5F49 D65 Y106 L108 I191 F194 I195 F202 S204 F205 I206F49-W63 HydrophobicContact CE2-CH2 4.17Å; F49-W63 AromaticContact CE2-CZ3 3.79Å; F49-W63 HydrophobicContact CE2-CZ3 3.79Å; F49-W63 HydrophobicContact CZ-CZ3 4.2Å; W63-D65 HydrophobicContact CZ2-CB 4.14Å; W63-D65 PolarHBondContact NE1-OD2 3.16Å; W63-Y106 WeakPolarHBondContact CA-O 3.28Å; W63-L108 HydrophobicContact CH2-CB 4.29Å; W63-L108 HydrophobicContact CH2-CD2 4.06Å; W63-L108 HydrophobicContact CZ2-CB 4.2Å; W63-L108 HydrophobicContact CZ2-CD2 3.99Å; W63-I191 HydrophobicContact CH2-CG1 4.18Å; W63-I191 HydrophobicContact CH2-CG2 4.48Å; W63-I191 HydrophobicContact CZ2-CB 4.49Å; W63-I191 HydrophobicContact CZ2-CD1 4.24Å; W63-I191 HydrophobicContact CZ2-CG1 3.88Å; W63-I191 HydrophobicContact CZ2-CG2 4Å; W63-F194 HydrophobicContact CE3-CD1 4.08Å; W63-F194 HydrophobicContact CE3-CE1 4.06Å; W63-F194 HydrophobicContact CH2-CD1 4.41Å; W63-F194 AromaticContact CZ3-CD1 3.48Å; W63-F194 HydrophobicContact CZ3-CD1 3.48Å; W63-F194 VanDerWaalsContact CZ3-CD1 3.48Å; W63-F194 AromaticContact CZ3-CE1 3.65Å; W63-F194 HydrophobicContact CZ3-CE1 3.65Å; W63-F194 HydrophobicContact CZ3-CG 4.48Å; W63-I195 HydrophobicContact CD2-CD1 4.02Å; W63-I195 HydrophobicContact CD2-CG1 4.46Å; W63-I195 HydrophobicContact CE3-CD1 4.28Å; W63-I195 HydrophobicContact CE3-CG1 4.22Å; W63-I195 HydrophobicContact CG-CD1 4.25Å; W63-F202 HydrophobicContact CB-CD1 3.8Å; W63-F202 HydrophobicContact CB-CE1 3.91Å; W63-F202 HydrophobicContact CE3-CE1 4.19Å; W63-F202 HydrophobicContact CE3-CZ 4.37Å; W63-S204 PolarHBondContact N-O 3.48Å; W63-F205 HydrophobicContact CB-CD2 4.04Å; W63-F205 AromaticContact CD1-CD2 3.22Å; W63-F205 AromaticContact CD1-CE2 3.14Å; W63-F205 AromaticContact CD1-CG 3.94Å; W63-F205 AromaticContact CD1-CZ 3.81Å; W63-F205 HydrophobicContact CD2-CE2 4.49Å; W63-F205 AromaticContact CG-CD2 3.73Å; W63-F205 HydrophobicContact CG-CD2 3.73Å; W63-F205 AromaticContact CG-CE2 3.91Å; W63-F205 HydrophobicContact CG-CE2 3.91Å; W63-F205 AromaticContact NE1-CD2 3.88Å; W63-F205 AromaticContact NE1-CE2 3.28Å; W63-F205 VanDerWaalsContact NE1-CE2 3.28Å; W63-F205 AromaticContact NE1-CZ 3.74Å; W63-F205 CarbonylContact O-C 3.23Å; W63-F205 WeakPolarHBondContact O-CA 3.35Å; W63-I206 PolarHBondContact O-N 2.86Å
64L98.4Very high91.1Very high0 Ų030.2 Ų30.20%016%0.161CC..EExtended strand (participates in β ladder)trans-130.8121.8170.2-173.3148.6000109.6A79 I82 Y106 I107 L108 I206 L208 I314L64-A79 HydrophobicContact CD2-CB 3.92Å; L64-I82 HydrophobicContact CD1-CD1 3.92Å; L64-I82 HydrophobicContact CD1-CG2 4.37Å; L64-Y106 PolarHBondContact N-O 3.45Å; L64-I107 HydrophobicContact CB-CG1 4.27Å; L64-I107 HydrophobicContact CD2-CG2 3.73Å; L64-I107 CarbonylContact O-C 3.56Å; L64-I107 VanDerWaalsContact O-CA 3.24Å; L64-I107 WeakPolarHBondContact O-CA 3.4Å; L64-L108 PolarHBondContact O-N 2.91Å; L64-I206 CarbonylContact C-O 3.56Å; L64-I206 VanDerWaalsContact CA-O 3.26Å; L64-I206 WeakPolarHBondContact CA-O 3.43Å; L64-I206 HydrophobicContact CD1-CG2 4.46Å; L64-I206 HydrophobicContact CG-CB 4.43Å; L64-L208 HydrophobicContact CD2-CD1 4.04Å; L64-L208 HydrophobicContact CD2-CG 4.46Å; L64-I314 HydrophobicContact CD1-CD1 3.69Å
65D97.6Very high92.2Very high0 Ų028.4 Ų28.40%015%0.152CC..EExtended strand (participates in β ladder)trans-125.1162.5173.27364.9000112.7W63 L108 V111 F205 I206 T207 L208W63-D65 HydrophobicContact CZ2-CB 4.14Å; W63-D65 PolarHBondContact NE1-OD2 3.16Å; D65-L108 CarbonylContact C-O 3.53Å; D65-L108 VanDerWaalsContact CA-O 3.27Å; D65-L108 WeakPolarHBondContact CA-O 3.15Å; D65-L108 HydrophobicContact CB-CB 4.16Å; D65-V111 HydrophobicContact CB-CG2 3.65Å; D65-F205 VanDerWaalsContact OD2-CZ 3.32Å; D65-F205 WeakPolarHBondContact OD2-CZ 3.35Å; D65-I206 PolarHBondContact N-O 2.92Å; D65-T207 VanDerWaalsContact OD1-CB 3.25Å; D65-T207 WeakPolarHBondContact OD1-CB 3.41Å; D65-T207 PolarHBondContact OD1-OG1 2.79Å; D65-L208 PolarHBondContact O-N 3.01Å
66A98Very high93.4Very high0 Ų025 Ų250%013%0.128CC..EExtended strand (participates in β ladder)trans-151.2167.8177.200000111.2I68 A75 A79 L108 P109 V110 V111 L208A66-I68 VanDerWaalsContact C-N 3.31Å; A66-I68 PolarHBondContact O-N 3.18Å; A66-A75 HydrophobicContact CB-CB 4.04Å; A66-A75 WeakPolarHBondContact CB-O 3.34Å; A66-A79 HydrophobicContact CB-CB 3.8Å; A66-L108 PolarHBondContact N-O 2.91Å; A66-P109 CarbonylContact C-O 3.5Å; A66-P109 WeakPolarHBondContact CB-O 3.49Å; A66-P109 CarbonylContact O-C 3.21Å; A66-V110 CarbonylContact O-C 3.54Å; A66-V110 WeakPolarHBondContact O-CA 3.4Å; A66-V111 WeakPolarHBondContact O-CG2 3.36Å; A66-V111 PolarHBondContact O-N 2.94Å; A66-L208 HydrophobicContact CB-CB 3.92Å; A66-L208 HydrophobicContact CB-CD1 4.3Å; A66-L208 HydrophobicContact CB-CG 4.48Å
67G96Very high94.6Very high3 Ų322 Ų223%0.03112%0.115CC..  trans65.734.4172.700000113.3N112G67-N112 WeakPolarHBondContact O-CB 3.41Å; G67-N112 PolarHBondContact O-N 2.9Å
68I98Very high95.8Very high1 Ų117 Ų171%0.00510%0.095CC..SBendtrans-73.7-35.4171.5-173.1168.9000111.7A66 V111 N112 L155 N156 F159 H209A66-I68 VanDerWaalsContact C-N 3.31Å; A66-I68 PolarHBondContact O-N 3.18Å; I68-V111 HydrophobicContact CB-CB 3.97Å; I68-V111 HydrophobicContact CB-CG1 4.1Å; I68-V111 HydrophobicContact CB-CG2 4.35Å; I68-V111 HydrophobicContact CD1-CG1 4.33Å; I68-V111 HydrophobicContact CG1-CB 4.36Å; I68-V111 HydrophobicContact CG1-CG1 3.92Å; I68-N112 VanDerWaalsContact O-CB 3.3Å; I68-N112 WeakPolarHBondContact O-CB 3.46Å; I68-N112 PolarHBondContact O-ND2 3.38Å; I68-L155 HydrophobicContact CD1-CB 3.89Å; I68-L155 HydrophobicContact CG1-CB 3.51Å; I68-L155 HydrophobicContact CG1-CD1 4.18Å; I68-N156 HydrophobicContact CD1-CB 4.06Å; I68-F159 HydrophobicContact CD1-CE2 3.95Å; I68-F159 HydrophobicContact CD1-CZ 4.45Å; I68-H209 WeakPolarHBondContact CG2-CE1 3.22Å; I68-H209 WeakPolarHBondContact CG2-NE2 3.24Å
69H98.4Very high96.5Very high4 Ų410.7 Ų10.72%0.0195%0.054CC..SBendtrans-97.1127.8163.8-54.6142.1000110.2R71 E72 R131 D154 N156 H209H69-R71 PolarHBondContact O-N 3.29Å; H69-E72 VanDerWaalsContact CB-CD 3.5Å; H69-E72 HydrophobicContact CB-CG 4.02Å; H69-E72 VanDerWaalsContact CB-OE1 3.3Å; H69-E72 WeakPolarHBondContact CB-OE1 3.3Å; H69-E72 IonicContact CE1-OE1 3.79Å; H69-E72 IonicContact CG-OE1 3.89Å; H69-E72 IonicContact CG-OE2 2.66Å; H69-E72 VanDerWaalsContact ND1-CD 3.32Å; H69-E72 IonicContact ND1-OE1 2.92Å; H69-E72 PolarHBondContact ND1-OE1 2.94Å; H69-E72 IonicContact ND1-OE2 3.23Å; H69-E72 PolarHBondContact ND1-OE2 3.46Å; H69-E72 PolarHBondContact O-N 3.48Å; H69-R131 CarbonylContact C-O 3.52Å; H69-R131 VanDerWaalsContact CA-O 3.3Å; H69-R131 WeakPolarHBondContact CA-O 3.24Å; H69-R131 HydrophobicContact CB-CG 4.19Å; H69-R131 VanDerWaalsContact CE1-CZ 3.42Å; H69-R131 PolarHBondContact CE1-NH1 2.89Å; H69-R131 PolarHBondContact CE1-NH2 2.93Å; H69-R131 PolarHBondContact ND1-NH1 2.95Å; H69-R131 VanDerWaalsContact NE2-CZ 3.29Å; H69-R131 PolarHBondContact NE2-NH2 2.91Å; H69-D154 IonicContact CD2-OD1 2.6Å; H69-D154 PolarHBondContact CD2-OD1 3.35Å; H69-D154 IonicContact NE2-OD1 2.95Å; H69-D154 PolarHBondContact NE2-OD1 3Å; H69-D154 VanDerWaalsContact NE2-OD1 3.1Å; H69-N156 VanDerWaalsContact NE2-CB 3.31Å; H69-N156 WeakPolarHBondContact NE2-CB 3.35Å; H69-H209 AromaticContact CE1-CE1 3.28Å; H69-H209 PolarHBondContact CE1-CE1 3.47Å; H69-H209 AromaticContact CE1-ND1 3.35Å; H69-H209 PolarHBondContact CE1-ND1 3.21Å; H69-H209 AromaticContact ND1-CE1 3.52Å; H69-H209 AromaticContact ND1-ND1 3.21Å; H69-H209 PolarHBondContact ND1-ND1 3.5Å; H69-H209 AromaticContact NE2-CE1 3.91Å
70A97.1Very high96.7Very high2 Ų213.3 Ų13.32%0.0177%0.068CC..THydrogen-bonded Turntrans-63.5-34.1-170.500000114.8E72 W73 G115 S119 W130 R131A70-E72 VanDerWaalsContact C-N 3.25Å; A70-E72 PolarHBondContact O-N 3.27Å; A70-W73 PolarHBondContact O-NE1 3.03Å; A70-G115 VanDerWaalsContact CB-O 3.24Å; A70-G115 WeakPolarHBondContact CB-O 3.41Å; A70-S119 PolarHBondContact O-OG 2.95Å; A70-W130 CarbonylContact C-O 3.59Å; A70-W130 VanDerWaalsContact CB-O 3.28Å; A70-W130 WeakPolarHBondContact CB-O 3.48Å; A70-R131 PolarHBondContact N-O 3.09Å
71R97.7Very high96.5Very high41 Ų4113 Ų1316%0.1557%0.065CC..THydrogen-bonded Turntrans-72.4-11.4-178.563.4-166.6-172.5-161-0.7115.1H69 W73 R128 L129 W130 E175 F296H69-R71 PolarHBondContact O-N 3.29Å; R71-W73 VanDerWaalsContact C-N 3.35Å; R71-W73 PolarHBondContact O-N 3.41Å; R71-R128 PolarHBondContact O-NH1 2.92Å; R71-L129 WeakPolarHBondContact CD-O 3.48Å; R71-W130 VanDerWaalsContact CB-O 3.27Å; R71-W130 WeakPolarHBondContact CB-O 3.46Å; R71-W130 PolarHBondContact N-O 3.05Å; R71-E175 IonicContact NH1-OE2 2.79Å; R71-E175 PolarHBondContact NH1-OE2 3.43Å; R71-F296 HydrophobicContact CG-CD1 3.78Å; R71-F296 HydrophobicContact CG-CE1 3.91Å; R71-F296 HydrophobicContact CG-CG 4.13Å; R71-F296 HydrophobicContact CG-CZ 4.44Å
72E98.4Very high96.5Very high3 Ų313 Ų131%0.0147%0.065CC..  trans-92.455.9-168.8-65.3174.8-161.100112H69 A70 I74 A75 P76 H209 S210 F296H69-E72 VanDerWaalsContact CB-CD 3.5Å; H69-E72 HydrophobicContact CB-CG 4.02Å; H69-E72 VanDerWaalsContact CB-OE1 3.3Å; H69-E72 WeakPolarHBondContact CB-OE1 3.3Å; H69-E72 IonicContact CE1-OE1 3.79Å; H69-E72 IonicContact CG-OE1 3.89Å; H69-E72 IonicContact CG-OE2 2.66Å; H69-E72 VanDerWaalsContact ND1-CD 3.32Å; H69-E72 IonicContact ND1-OE1 2.92Å; H69-E72 PolarHBondContact ND1-OE1 2.94Å; H69-E72 IonicContact ND1-OE2 3.23Å; H69-E72 PolarHBondContact ND1-OE2 3.46Å; H69-E72 PolarHBondContact O-N 3.48Å; A70-E72 VanDerWaalsContact C-N 3.25Å; A70-E72 PolarHBondContact O-N 3.27Å; E72-I74 PolarHBondContact O-N 2.94Å; E72-A75 WeakPolarHBondContact O-CB 3.35Å; E72-A75 PolarHBondContact O-N 3.22Å; E72-P76 WeakPolarHBondContact O-CD 3.37Å; E72-H209 WeakPolarHBondContact OE2-CA 3.43Å; E72-H209 VanDerWaalsContact OE2-CB 3.31Å; E72-H209 WeakPolarHBondContact OE2-CB 3.43Å; E72-H209 IonicContact OE2-CG 3.31Å; E72-H209 IonicContact OE2-ND1 2.75Å; E72-H209 PolarHBondContact OE2-ND1 3.3Å; E72-S210 WeakPolarHBondContact CB-OG 3.37Å; E72-S210 VanDerWaalsContact CG-O 3.22Å; E72-S210 WeakPolarHBondContact CG-O 3.32Å; E72-S210 VanDerWaalsContact OE1-O 3.11Å; E72-S210 PolarHBondContact OE2-N 3.08Å; E72-F296 HydrophobicContact CG-CD1 3.74Å; E72-F296 HydrophobicContact CG-CE1 3.61Å
73W97.2Very high96Very high66 Ų6613.4 Ų13.425%0.257%0.067CC..THydrogen-bonded Turntrans-59.2-25-167.9-66.23.8000115.4A70 R71 A75 P76 S77 S119 R120 R128A70-W73 PolarHBondContact O-NE1 3.03Å; R71-W73 VanDerWaalsContact C-N 3.35Å; R71-W73 PolarHBondContact O-N 3.41Å; W73-A75 PolarHBondContact O-N 3.02Å; W73-P76 WeakPolarHBondContact O-CD 3.09Å; W73-S77 PolarHBondContact O-N 3.14Å; W73-S77 PolarHBondContact O-OG 2.61Å; W73-S119 WeakPolarHBondContact CZ2-O 3.04Å; W73-S119 PolarHBondContact NE1-OG 2.86Å; W73-R120 HydrophobicContact CD2-CG 4.49Å; W73-R120 HydrophobicContact CH2-CB 4.25Å; W73-R120 HydrophobicContact CH2-CG 3.74Å; W73-R120 HydrophobicContact CZ2-CB 4Å; W73-R120 HydrophobicContact CZ2-CG 3.31Å; W73-R120 HydrophobicContact CZ3-CG 4.48Å; W73-R128 VanDerWaalsContact CH2-CD 3.49Å
74I97.7Very high95.4Very high12 Ų1215.3 Ų15.36%0.0628%0.079CC..Hα-helixtrans-66.4-27.2177.4-170.757.9000112.6E72 T78 S210 L286 L298 I303 T306E72-I74 PolarHBondContact O-N 2.94Å; I74-T78 VanDerWaalsContact O-CB 3.32Å; I74-T78 WeakPolarHBondContact O-CB 3.26Å; I74-T78 PolarHBondContact O-N 2.92Å; I74-T78 PolarHBondContact O-OG1 3.14Å; I74-S210 WeakPolarHBondContact CG2-OG 3.05Å; I74-L286 HydrophobicContact CG2-CB 4.18Å; I74-L286 HydrophobicContact CG2-CD1 4.29Å; I74-L298 HydrophobicContact CB-CD2 4.13Å; I74-L298 HydrophobicContact CD1-CD2 3.94Å; I74-L298 HydrophobicContact CG1-CD2 3.74Å; I74-I303 HydrophobicContact CD1-CB 4.32Å; I74-I303 HydrophobicContact CD1-CG1 4.13Å; I74-T306 HydrophobicContact CD1-CG2 4.17Å; I74-T306 HydrophobicContact CG1-CG2 3.74Å
75A98.4Very high95Very high0 Ų017 Ų170%09%0.087CC..Hα-helixtrans-68.2-52.9-179.400000111.9A66 E72 W73 S77 T78 A79 L208 L286A66-A75 HydrophobicContact CB-CB 4.04Å; A66-A75 WeakPolarHBondContact CB-O 3.34Å; E72-A75 WeakPolarHBondContact O-CB 3.35Å; E72-A75 PolarHBondContact O-N 3.22Å; W73-A75 PolarHBondContact O-N 3.02Å; A75-S77 VanDerWaalsContact C-N 3.32Å; A75-S77 PolarHBondContact O-N 3.39Å; A75-T78 WeakPolarHBondContact O-CB 3.34Å; A75-T78 PolarHBondContact O-N 3.02Å; A75-T78 VanDerWaalsContact O-N 3.1Å; A75-A79 PolarHBondContact O-N 3.38Å; A75-L208 HydrophobicContact CB-CB 3.88Å; A75-L208 VanDerWaalsContact CB-O 3.24Å; A75-L208 WeakPolarHBondContact CB-O 3.34Å; A75-L286 HydrophobicContact CB-CD1 4.22Å
76P95.7Very high94.5Very high12 Ų1217 Ų178%0.0789%0.087CC..Hα-helixtrans-54.3-44.3171.6-3035.5000113.6E72 W73 T78 A79 I80 P109 V110E72-P76 WeakPolarHBondContact O-CD 3.37Å; W73-P76 WeakPolarHBondContact O-CD 3.09Å; P76-T78 VanDerWaalsContact C-N 3.29Å; P76-T78 PolarHBondContact O-N 3.45Å; P76-A79 PolarHBondContact O-N 3.41Å; P76-I80 WeakPolarHBondContact O-CG1 3.16Å; P76-I80 PolarHBondContact O-N 3.38Å; P76-P109 WeakPolarHBondContact CA-O 3.28Å; P76-P109 WeakPolarHBondContact CB-O 3.38Å; P76-V110 HydrophobicContact CB-CG2 3.91Å; P76-V110 HydrophobicContact CG-CG2 4.11Å
77S94Very high93.9Very high41 Ų4117.2 Ų17.229%0.2879%0.088SC..Hα-helixtrans-60.7-39.5177.2-590000112.2W73 A75 I80 I81W73-S77 PolarHBondContact O-N 3.14Å; W73-S77 PolarHBondContact O-OG 2.61Å; A75-S77 VanDerWaalsContact C-N 3.32Å; A75-S77 PolarHBondContact O-N 3.39Å; S77-I80 PolarHBondContact O-N 2.73Å; S77-I81 WeakPolarHBondContact O-CG1 3.38Å; S77-I81 PolarHBondContact O-N 3.02Å
78T97.4Very high93.4Very high0 Ų021 Ų210%011%0.105CC..Hα-helixtrans-66.3-41.9176.8-61.80000111.7I74 A75 P76 I80 I81 I82 L208 L286 T310I74-T78 VanDerWaalsContact O-CB 3.32Å; I74-T78 WeakPolarHBondContact O-CB 3.26Å; I74-T78 PolarHBondContact O-N 2.92Å; I74-T78 PolarHBondContact O-OG1 3.14Å; A75-T78 WeakPolarHBondContact O-CB 3.34Å; A75-T78 PolarHBondContact O-N 3.02Å; A75-T78 VanDerWaalsContact O-N 3.1Å; P76-T78 VanDerWaalsContact C-N 3.29Å; P76-T78 PolarHBondContact O-N 3.45Å; T78-I80 VanDerWaalsContact C-N 3.33Å; T78-I80 PolarHBondContact O-N 3.17Å; T78-I81 PolarHBondContact O-N 3Å; T78-I82 HydrophobicContact CG2-CD1 3.87Å; T78-I82 WeakPolarHBondContact O-CD1 3.35Å; T78-I82 VanDerWaalsContact O-CG1 3.31Å; T78-I82 WeakPolarHBondContact O-CG1 3.39Å; T78-I82 PolarHBondContact O-N 2.9Å; T78-L208 HydrophobicContact CG2-CD1 3.82Å; T78-L286 HydrophobicContact CG2-CD1 4.12Å; T78-T310 HydrophobicContact CG2-CG2 3.86Å
79A95.5Very high92.8Very high0 Ų022.9 Ų22.90%012%0.115CC..Hα-helixtrans-60.6-41.2174.700000112.3L64 A66 A75 P76 I82 I83 I107 P109 L208L64-A79 HydrophobicContact CD2-CB 3.92Å; A66-A79 HydrophobicContact CB-CB 3.8Å; A75-A79 PolarHBondContact O-N 3.38Å; P76-A79 PolarHBondContact O-N 3.41Å; A79-I82 PolarHBondContact O-N 2.84Å; A79-I83 WeakPolarHBondContact O-CG1 3.49Å; A79-I83 PolarHBondContact O-N 3.42Å; A79-I107 HydrophobicContact CB-CG2 4.43Å; A79-P109 HydrophobicContact CB-CB 3.97Å; A79-P109 HydrophobicContact CB-CG 4.44Å; A79-L208 HydrophobicContact CB-CD1 4.36Å
80I90.3Very high92.1Very high68 Ų6823.4 Ų23.435%0.34912%0.117SC..Hα-helixtrans-63.7-43.3174.5-64.1-61.7000111.4P76 S77 T78 I82 I83 T84 P109P76-I80 WeakPolarHBondContact O-CG1 3.16Å; P76-I80 PolarHBondContact O-N 3.38Å; S77-I80 PolarHBondContact O-N 2.73Å; T78-I80 VanDerWaalsContact C-N 3.33Å; T78-I80 PolarHBondContact O-N 3.17Å; I80-I82 VanDerWaalsContact C-N 3.29Å; I80-I82 PolarHBondContact O-N 3.49Å; I80-I83 HydrophobicContact CD1-CD1 4.16Å; I80-I83 WeakPolarHBondContact O-CB 3.35Å; I80-I83 PolarHBondContact O-N 2.99Å; I80-T84 PolarHBondContact O-N 3.05Å; I80-T84 PolarHBondContact O-OG1 2.99Å; I80-T84 VanDerWaalsContact O-OG1 3.14Å; I80-P109 HydrophobicContact CD1-CB 3.88Å; I80-P109 HydrophobicContact CD1-CG 3.81Å; I80-P109 HydrophobicContact CG1-CB 4.3Å
81I90.4Very high91.4Very high21 Ų2126.4 Ų26.411%0.10813%0.132CC..Hα-helixtrans-60-41.5176-69.4162.6000110.8S77 T78 I83 T84 E85 I303 I304S77-I81 WeakPolarHBondContact O-CG1 3.38Å; S77-I81 PolarHBondContact O-N 3.02Å; T78-I81 PolarHBondContact O-N 3Å; I81-I83 PolarHBondContact O-N 3.38Å; I81-T84 CarbonylContact O-C 3.49Å; I81-T84 WeakPolarHBondContact O-CB 3.4Å; I81-T84 PolarHBondContact O-N 2.86Å; I81-T84 VanDerWaalsContact O-N 3.16Å; I81-E85 HydrophobicContact CG2-CG 4.35Å; I81-E85 WeakPolarHBondContact O-CG 3.42Å; I81-E85 PolarHBondContact O-N 2.97Å; I81-I303 HydrophobicContact CD1-CG2 4.17Å; I81-I304 HydrophobicContact CD1-CD1 3.99Å; I81-I304 HydrophobicContact CG1-CD1 4.37Å
82I94Very high90.9Very high0 Ų033.8 Ų33.80%016%0.16CC..Hα-helixtrans-64.2-40.7177.4-67.8157.1000111.6L64 T78 A79 I80 T84 E85 L86 I107 L208 W311 I314L64-I82 HydrophobicContact CD1-CD1 3.92Å; L64-I82 HydrophobicContact CD1-CG2 4.37Å; T78-I82 HydrophobicContact CG2-CD1 3.87Å; T78-I82 WeakPolarHBondContact O-CD1 3.35Å; T78-I82 VanDerWaalsContact O-CG1 3.31Å; T78-I82 WeakPolarHBondContact O-CG1 3.39Å; T78-I82 PolarHBondContact O-N 2.9Å; A79-I82 PolarHBondContact O-N 2.84Å; I80-I82 VanDerWaalsContact C-N 3.29Å; I80-I82 PolarHBondContact O-N 3.49Å; I82-T84 VanDerWaalsContact C-N 3.31Å; I82-T84 PolarHBondContact O-N 3.21Å; I82-E85 PolarHBondContact O-N 3.07Å; I82-L86 HydrophobicContact CG2-CD1 4.26Å; I82-L86 WeakPolarHBondContact O-CG 3.4Å; I82-L86 PolarHBondContact O-N 3.37Å; I82-I107 HydrophobicContact CG2-CD1 4.39Å; I82-L208 HydrophobicContact CD1-CD1 4.12Å; I82-W311 HydrophobicContact CB-CE3 4.46Å; I82-W311 HydrophobicContact CG1-CE3 4.25Å; I82-W311 HydrophobicContact CG2-CE3 3.79Å; I82-W311 HydrophobicContact CG2-CZ3 3.86Å; I82-I314 HydrophobicContact CD1-CD1 3.34Å; I82-I314 HydrophobicContact CG1-CD1 4.24Å
83I87.8Confident90.6Very high8 Ų835.7 Ų35.74%0.04117%0.171CC..Hα-helixtrans-58.1-46.5172-71.1158.4000110.1F50 I52 A79 I80 I81 E85 L86 L87 I107 P109F50-I83 HydrophobicContact CB-CD1 4.45Å; F50-I83 HydrophobicContact CD1-CG2 4.31Å; F50-I83 HydrophobicContact CD2-CD1 3.46Å; F50-I83 VanDerWaalsContact CD2-CD1 3.46Å; F50-I83 HydrophobicContact CD2-CG1 4.44Å; F50-I83 HydrophobicContact CE1-CG2 4.24Å; F50-I83 HydrophobicContact CE2-CD1 3.64Å; F50-I83 HydrophobicContact CG-CD1 3.91Å; F50-I83 HydrophobicContact CG-CG1 4.44Å; F50-I83 HydrophobicContact CZ-CD1 4.24Å; I52-I83 HydrophobicContact CD1-CB 4.46Å; I52-I83 HydrophobicContact CD1-CG1 4.29Å; I52-I83 HydrophobicContact CD1-CG2 4.06Å; A79-I83 WeakPolarHBondContact O-CG1 3.49Å; A79-I83 PolarHBondContact O-N 3.42Å; I80-I83 HydrophobicContact CD1-CD1 4.16Å; I80-I83 WeakPolarHBondContact O-CB 3.35Å; I80-I83 PolarHBondContact O-N 2.99Å; I81-I83 PolarHBondContact O-N 3.38Å; I83-E85 PolarHBondContact O-N 2.89Å; I83-L86 PolarHBondContact O-N 3.49Å; I83-L87 HydrophobicContact CG2-CD1 3.8Å; I83-L87 HydrophobicContact CG2-CG 4.45Å; I83-L87 VanDerWaalsContact O-CG 3.32Å; I83-L87 WeakPolarHBondContact O-CG 3.38Å; I83-L87 PolarHBondContact O-N 3.41Å; I83-L87 VanDerWaalsContact O-N 3.08Å; I83-I107 HydrophobicContact CD1-CB 4.22Å; I83-I107 HydrophobicContact CD1-CG2 3.71Å; I83-I107 HydrophobicContact CG1-CB 4.15Å; I83-I107 HydrophobicContact CG1-CD1 3.66Å; I83-I107 HydrophobicContact CG1-CG1 4.49Å; I83-I107 HydrophobicContact CG1-CG2 3.87Å; I83-P109 HydrophobicContact CD1-CG 3.65Å
84T86.3Confident90.5Very high39 Ų3936.3 Ų36.324%0.23919%0.19CC..Hα-helixtrans-61.6-43.1177.4-57.90000111.9I80 I81 I82 L86 L87 E88I80-T84 PolarHBondContact O-N 3.05Å; I80-T84 PolarHBondContact O-OG1 2.99Å; I80-T84 VanDerWaalsContact O-OG1 3.14Å; I81-T84 CarbonylContact O-C 3.49Å; I81-T84 WeakPolarHBondContact O-CB 3.4Å; I81-T84 PolarHBondContact O-N 2.86Å; I81-T84 VanDerWaalsContact O-N 3.16Å; I82-T84 VanDerWaalsContact C-N 3.31Å; I82-T84 PolarHBondContact O-N 3.21Å; T84-L86 PolarHBondContact O-N 3.12Å; T84-L87 PolarHBondContact O-N 3.44Å; T84-E88 HydrophobicContact CG2-CG 3.76Å; T84-E88 WeakPolarHBondContact O-CB 3.49Å; T84-E88 PolarHBondContact O-N 2.84Å
85E89.4Confident90.4Very high36 Ų3637.9 Ų37.917%0.16820%0.202CC..Hα-helixtrans-59.4-44.7176.6-72.2-67.8162.800111.7I81 I82 I83 L87 N89 W311I81-E85 HydrophobicContact CG2-CG 4.35Å; I81-E85 WeakPolarHBondContact O-CG 3.42Å; I81-E85 PolarHBondContact O-N 2.97Å; I82-E85 PolarHBondContact O-N 3.07Å; I83-E85 PolarHBondContact O-N 2.89Å; E85-L87 PolarHBondContact O-N 3.38Å; E85-N89 WeakPolarHBondContact O-CB 3.32Å; E85-N89 PolarHBondContact O-N 3.27Å; E85-N89 PolarHBondContact OE2-ND2 2.88Å; E85-W311 HydrophobicContact CB-CD2 4.03Å; E85-W311 HydrophobicContact CB-CG 4.13Å; E85-W311 HydrophobicContact CB-CZ2 4.39Å; E85-W311 HydrophobicContact CG-CB 4.41Å; E85-W311 HydrophobicContact CG-CD2 4.36Å; E85-W311 HydrophobicContact CG-CG 3.92Å
86L87.1Confident89.9Confident0 Ų037.9 Ų37.90%020%0.202CC..Hα-helixtrans-62.8-39.8177.6-74.6166.5000112.6I52 I82 I83 T84 V100 W105 I107 W311I52-L86 HydrophobicContact CD1-CB 4.34Å; I52-L86 HydrophobicContact CD1-CD1 4.09Å; I52-L86 HydrophobicContact CG2-CB 4.48Å; I82-L86 HydrophobicContact CG2-CD1 4.26Å; I82-L86 WeakPolarHBondContact O-CG 3.4Å; I82-L86 PolarHBondContact O-N 3.37Å; I83-L86 PolarHBondContact O-N 3.49Å; T84-L86 PolarHBondContact O-N 3.12Å; L86-V100 HydrophobicContact CD2-CG2 4.07Å; L86-W105 HydrophobicContact CD1-CB 4.36Å; L86-W105 HydrophobicContact CD1-CD2 3.78Å; L86-W105 HydrophobicContact CD1-CE3 4.01Å; L86-W105 HydrophobicContact CD1-CG 3.92Å; L86-W105 HydrophobicContact CD2-CD2 4.21Å; L86-W105 HydrophobicContact CD2-CZ2 4.04Å; L86-I107 HydrophobicContact CD1-CD1 3.72Å; L86-W311 HydrophobicContact CD2-CH2 3.56Å; L86-W311 HydrophobicContact CD2-CZ2 4.33Å; L86-W311 HydrophobicContact CD2-CZ3 4.25Å; L86-W311 HydrophobicContact CG-CH2 3.93Å; L86-W311 HydrophobicContact CG-CZ3 4.28Å
87L86Confident89.5Confident5 Ų541.9 Ų41.93%0.02622%0.215CC..Hα-helixtrans-83.7-47.7-175.2-64.3176.3000112.7F21 I26 Y28 I52 I83 T84 E85F21-L87 HydrophobicContact CB-CD1 4.19Å; F21-L87 HydrophobicContact CD1-CB 4.2Å; F21-L87 HydrophobicContact CD1-CD1 4.44Å; F21-L87 HydrophobicContact CD2-CD1 4.24Å; F21-L87 HydrophobicContact CG-CD1 4.04Å; I26-L87 HydrophobicContact CG2-CD2 4.44Å; Y28-L87 HydrophobicContact CD1-CD2 4.13Å; Y28-L87 HydrophobicContact CG-CD2 4.15Å; I52-L87 HydrophobicContact CD1-CD2 4.3Å; I52-L87 HydrophobicContact CD1-CG 4.34Å; I52-L87 HydrophobicContact CG2-CD2 4.11Å; I83-L87 HydrophobicContact CG2-CD1 3.8Å; I83-L87 HydrophobicContact CG2-CG 4.45Å; I83-L87 VanDerWaalsContact O-CG 3.32Å; I83-L87 WeakPolarHBondContact O-CG 3.38Å; I83-L87 PolarHBondContact O-N 3.41Å; I83-L87 VanDerWaalsContact O-N 3.08Å; T84-L87 PolarHBondContact O-N 3.44Å; E85-L87 PolarHBondContact O-N 3.38Å
88E83.7Confident89.3Confident81 Ų8141.4 Ų41.438%0.37921%0.214SC..Hα-helixtrans-76.4-28.4-174.3-67.3-168.3170.600113.3F21 T84F21-E88 HydrophobicContact CD1-CG 4.27Å; F21-E88 HydrophobicContact CE1-CG 3.63Å; F21-E88 WeakPolarHBondContact CE1-OE1 3.02Å; T84-E88 HydrophobicContact CG2-CG 3.76Å; T84-E88 WeakPolarHBondContact O-CB 3.49Å; T84-E88 PolarHBondContact O-N 2.84Å
89N85.7Confident89.2Confident41 Ų4141.9 Ų41.922%0.21922%0.216CC..SBendtrans-100.31.7-178.2-66.9-53.1000114.1E85 D91 R92 D93 V96E85-N89 WeakPolarHBondContact O-CB 3.32Å; E85-N89 PolarHBondContact O-N 3.27Å; E85-N89 PolarHBondContact OE2-ND2 2.88Å; N89-D91 VanDerWaalsContact C-N 3.28Å; N89-D91 PolarHBondContact O-N 2.77Å; N89-R92 PolarHBondContact O-N 3.49Å; N89-D93 HydrophobicContact CB-CB 4.37Å; N89-D93 PolarHBondContact O-N 3.19Å; N89-V96 HydrophobicContact CB-CB 4.32Å; N89-V96 HydrophobicContact CB-CG1 4.2Å; N89-V96 HydrophobicContact CB-CG2 4.09Å
90Y83.7Confident88.7Confident15 Ų1541.9 Ų41.96%0.05922%0.216CC..THydrogen-bonded Turntrans-52.8-43.9175.7176.5-101.3000113N25 I26 R97 V100 D101N25-Y90 HydrophobicContact CB-CE1 4.41Å; I26-Y90 VanDerWaalsContact CD1-CB 3.46Å; I26-Y90 HydrophobicContact CD1-CD1 3.35Å; I26-Y90 HydrophobicContact CD1-CD2 4.03Å; I26-Y90 HydrophobicContact CD1-CE1 4.05Å; I26-Y90 HydrophobicContact CD1-CG 3.32Å; I26-Y90 HydrophobicContact CG1-CD1 3.47Å; I26-Y90 VanDerWaalsContact CG1-CD1 3.47Å; I26-Y90 HydrophobicContact CG1-CD2 4.24Å; I26-Y90 HydrophobicContact CG1-CE1 3.61Å; I26-Y90 HydrophobicContact CG1-CE2 4.36Å; I26-Y90 HydrophobicContact CG1-CG 3.8Å; Y90-R97 HydrophobicContact CD2-CB 4.39Å; Y90-R97 HydrophobicContact CD2-CG 4.26Å; Y90-R97 HydrophobicContact CE2-CB 4.41Å; Y90-R97 HydrophobicContact CE2-CG 3.81Å; Y90-R97 WeakPolarHBondContact O-CB 3.29Å; Y90-R97 PolarHBondContact O-NE 3.17Å; Y90-V100 HydrophobicContact CD2-CB 3.58Å; Y90-V100 HydrophobicContact CD2-CG1 3.71Å; Y90-V100 HydrophobicContact CD2-CG2 3.87Å; Y90-V100 HydrophobicContact CE2-CB 3.69Å; Y90-V100 HydrophobicContact CE2-CG1 3.6Å; Y90-V100 HydrophobicContact CE2-CG2 4.49Å; Y90-D101 VanDerWaalsContact CE2-OD1 3.3Å; Y90-D101 WeakPolarHBondContact CE2-OD1 3.49Å; Y90-D101 PolarHBondContact OH-OD1 3.09Å; Y90-D101 VanDerWaalsContact OH-OD1 3.05Å
91D84Confident88.5Confident65 Ų6540.6 Ų40.635%0.34821%0.21SC..THydrogen-bonded Turntrans-913179.7-82.5-12.7000114.6H23 N89 R97H23-D91 IonicContact CE1-OD2 2.84Å; H23-D91 PolarHBondContact CE1-OD2 2.98Å; H23-D91 IonicContact ND1-OD2 3.2Å; H23-D91 PolarHBondContact ND1-OD2 3.04Å; H23-D91 IonicContact NE2-OD2 2.71Å; N89-D91 VanDerWaalsContact C-N 3.28Å; N89-D91 PolarHBondContact O-N 2.77Å; D91-R97 IonicContact OD1-CZ 3.83Å; D91-R97 IonicContact OD1-NE 3.66Å; D91-R97 IonicContact OD1-NH2 3.54Å; D91-R97 PolarHBondContact OD1-NH2 3.06Å
92R87Confident88.5Confident196 Ų19643 Ų4374%0.7422%0.223SC*.THydrogen-bonded Turntrans-121.5-30.9-171.2-59179-178169.73.9114.3N89N89-R92 PolarHBondContact O-N 3.49Å
93D91.5Very high88.4Confident43 Ų4343 Ų4323%0.2322%0.223CC..  trans-119.5117.6177.5-178.1-26.8000109.3N89 S95 V96 R97 R315N89-D93 HydrophobicContact CB-CB 4.37Å; N89-D93 PolarHBondContact O-N 3.19Å; D93-S95 PolarHBondContact O-N 3.22Å; D93-S95 WeakPolarHBondContact OD1-CA 3.36Å; D93-S95 VanDerWaalsContact OD1-CB 3.24Å; D93-S95 WeakPolarHBondContact OD1-CB 3.09Å; D93-S95 PolarHBondContact OD1-N 3.36Å; D93-S95 PolarHBondContact OD1-OG 2.82Å; D93-V96 HydrophobicContact CB-CB 4.01Å; D93-V96 HydrophobicContact CB-CG2 3.67Å; D93-V96 PolarHBondContact O-N 2.77Å; D93-V96 PolarHBondContact OD1-N 2.9Å; D93-R97 PolarHBondContact O-N 3.22Å; D93-R315 IonicContact OD1-NH2 3.54Å; D93-R315 IonicContact OD2-CZ 2.66Å; D93-R315 IonicContact OD2-NH1 3.83Å; D93-R315 PolarHBondContact OD2-NH1 3.16Å; D93-R315 IonicContact OD2-NH2 2.89Å; D93-R315 PolarHBondContact OD2-NH2 3.46Å
94A95Very high88.6Confident80 Ų8043.2 Ų43.266%0.66122%0.224SC*.Hα-helixtrans-60.1-29.2-178.900000113.3A98A94-A98 WeakPolarHBondContact O-CB 3.19Å; A94-A98 PolarHBondContact O-N 3.21Å
95S94.8Very high88.9Confident44 Ų4441.4 Ų41.431%0.30821%0.213SC..Hα-helixtrans-71.5-43.7174.8-23.20000110.5D93 R97 A98 Y99 R315D93-S95 PolarHBondContact O-N 3.22Å; D93-S95 WeakPolarHBondContact OD1-CA 3.36Å; D93-S95 VanDerWaalsContact OD1-CB 3.24Å; D93-S95 WeakPolarHBondContact OD1-CB 3.09Å; D93-S95 PolarHBondContact OD1-N 3.36Å; D93-S95 PolarHBondContact OD1-OG 2.82Å; S95-R97 VanDerWaalsContact C-N 3.32Å; S95-R97 PolarHBondContact O-N 2.89Å; S95-A98 CarbonylContact O-C 3.46Å; S95-A98 WeakPolarHBondContact O-CB 3.34Å; S95-A98 PolarHBondContact O-N 3.1Å; S95-A98 VanDerWaalsContact O-N 3.14Å; S95-Y99 WeakPolarHBondContact O-CD1 3.39Å; S95-Y99 WeakPolarHBondContact O-CD2 3.45Å; S95-Y99 PolarHBondContact O-N 3.47Å; S95-R315 VanDerWaalsContact CB-NH2 3.31Å; S95-R315 PolarHBondContact OG-NH2 2.75Å; S95-R315 VanDerWaalsContact OG-NH2 3.1Å
96V88.5Confident89.1Confident0 Ų040.3 Ų40.30%021%0.207CC..Hα-helixtrans-62.4-42.7176.6-179.40000110.5N89 D93 A98 Y99 V100 W311N89-V96 HydrophobicContact CB-CB 4.32Å; N89-V96 HydrophobicContact CB-CG1 4.2Å; N89-V96 HydrophobicContact CB-CG2 4.09Å; D93-V96 HydrophobicContact CB-CB 4.01Å; D93-V96 HydrophobicContact CB-CG2 3.67Å; D93-V96 PolarHBondContact O-N 2.77Å; D93-V96 PolarHBondContact OD1-N 2.9Å; V96-A98 VanDerWaalsContact C-N 3.34Å; V96-A98 PolarHBondContact O-N 3.21Å; V96-Y99 WeakPolarHBondContact O-CB 3.26Å; V96-Y99 PolarHBondContact O-N 3.35Å; V96-Y99 VanDerWaalsContact O-N 3.12Å; V96-V100 PolarHBondContact O-N 3.43Å; V96-W311 HydrophobicContact CG2-CZ2 4.1Å
97R87.6Confident89.3Confident96 Ų9640.3 Ų40.336%0.36221%0.207SC..Hα-helixtrans-54.2-51.5170.6-173.9169.9-71.4153.5-9.8111.4Y90 D91 D93 S95 Y99 V100 D101Y90-R97 HydrophobicContact CD2-CB 4.39Å; Y90-R97 HydrophobicContact CD2-CG 4.26Å; Y90-R97 HydrophobicContact CE2-CB 4.41Å; Y90-R97 HydrophobicContact CE2-CG 3.81Å; Y90-R97 WeakPolarHBondContact O-CB 3.29Å; Y90-R97 PolarHBondContact O-NE 3.17Å; D91-R97 IonicContact OD1-CZ 3.83Å; D91-R97 IonicContact OD1-NE 3.66Å; D91-R97 IonicContact OD1-NH2 3.54Å; D91-R97 PolarHBondContact OD1-NH2 3.06Å; D93-R97 PolarHBondContact O-N 3.22Å; S95-R97 VanDerWaalsContact C-N 3.32Å; S95-R97 PolarHBondContact O-N 2.89Å; R97-Y99 PolarHBondContact O-N 2.97Å; R97-V100 PolarHBondContact O-N 3.28Å; R97-V100 VanDerWaalsContact O-N 3.09Å; R97-D101 WeakPolarHBondContact CG-OD2 3.18Å; R97-D101 WeakPolarHBondContact O-CB 3.44Å; R97-D101 VanDerWaalsContact O-CG 3.24Å; R97-D101 PolarHBondContact O-N 3.16Å
98A90.8Very high89.6Confident32 Ų3240 Ų4026%0.26421%0.206SC..Hα-helixtrans-58.8-36.5177.900000112.5A94 S95 V96 L102A94-A98 WeakPolarHBondContact O-CB 3.19Å; A94-A98 PolarHBondContact O-N 3.21Å; S95-A98 CarbonylContact O-C 3.46Å; S95-A98 WeakPolarHBondContact O-CB 3.34Å; S95-A98 PolarHBondContact O-N 3.1Å; S95-A98 VanDerWaalsContact O-N 3.14Å; V96-A98 VanDerWaalsContact C-N 3.34Å; V96-A98 PolarHBondContact O-N 3.21Å; A98-L102 HydrophobicContact CB-CD1 4.27Å; A98-L102 WeakPolarHBondContact O-CB 3.45Å; A98-L102 WeakPolarHBondContact O-CG 3.43Å; A98-L102 PolarHBondContact O-N 3.22Å
99Y93.4Very high90Very high9 Ų936.4 Ų36.44%0.03519%0.189CC..Hα-helixtrans-66.6-33.3176.1-59.3-31.7000113.4S95 V96 R97 L103 W105 W311 R315 A318 D319 I322S95-Y99 WeakPolarHBondContact O-CD1 3.39Å; S95-Y99 WeakPolarHBondContact O-CD2 3.45Å; S95-Y99 PolarHBondContact O-N 3.47Å; V96-Y99 WeakPolarHBondContact O-CB 3.26Å; V96-Y99 PolarHBondContact O-N 3.35Å; V96-Y99 VanDerWaalsContact O-N 3.12Å; R97-Y99 PolarHBondContact O-N 2.97Å; Y99-L103 WeakPolarHBondContact O-CB 3.35Å; Y99-L103 PolarHBondContact O-N 3.13Å; Y99-W105 PolarHBondContact O-NE1 3.22Å; Y99-W311 HydrophobicContact CD2-CH2 4.13Å; Y99-W311 HydrophobicContact CD2-CZ2 4.15Å; Y99-R315 HydrophobicContact CE2-CB 4.03Å; Y99-R315 HydrophobicContact CE2-CG 3.69Å; Y99-A318 HydrophobicContact CD1-CB 3.71Å; Y99-A318 HydrophobicContact CE1-CB 3.83Å; Y99-A318 HydrophobicContact CG-CB 4.2Å; Y99-D319 WeakPolarHBondContact CE1-OD1 3.33Å; Y99-D319 PolarHBondContact OH-OD1 3.05Å; Y99-I322 HydrophobicContact CD1-CD1 3.86Å; Y99-I322 HydrophobicContact CE1-CD1 4.22Å
100V86.5Confident90.2Very high0 Ų034.5 Ų34.50%018%0.18CC..Hα-helixtrans-82.5-36.6176.6174.20000111.4I26 I52 G53 L54 K59 L86 Y90 V96 R97 L103I26-V100 HydrophobicContact CG2-CG1 4.45Å; I52-V100 HydrophobicContact CG2-CG1 4.46Å; I52-V100 HydrophobicContact CG2-CG2 4.33Å; G53-V100 WeakPolarHBondContact CA-O 3.27Å; L54-V100 PolarHBondContact N-O 3.35Å; K59-V100 PolarHBondContact NZ-O 3.16Å; L86-V100 HydrophobicContact CD2-CG2 4.07Å; Y90-V100 HydrophobicContact CD2-CB 3.58Å; Y90-V100 HydrophobicContact CD2-CG1 3.71Å; Y90-V100 HydrophobicContact CD2-CG2 3.87Å; Y90-V100 HydrophobicContact CE2-CB 3.69Å; Y90-V100 HydrophobicContact CE2-CG1 3.6Å; Y90-V100 HydrophobicContact CE2-CG2 4.49Å; V96-V100 PolarHBondContact O-N 3.43Å; R97-V100 PolarHBondContact O-N 3.28Å; R97-V100 VanDerWaalsContact O-N 3.09Å; V100-L103 VanDerWaalsContact O-O 3.14Å
101D85.6Confident90.7Very high41 Ų4133.8 Ų33.822%0.21918%0.177CC..Hα-helixtrans-70.5-46-179-71.7-1.8000111.2L54 Y57 K59 Y90 R97L54-D101 HydrophobicContact CD1-CB 4.37Å; L54-D101 WeakPolarHBondContact CD1-OD1 3.49Å; Y57-D101 PolarHBondContact OH-O 2.88Å; K59-D101 WeakPolarHBondContact CD-O 3.38Å; K59-D101 PolarHBondContact NZ-O 2.76Å; K59-D101 VanDerWaalsContact NZ-O 3.16Å; Y90-D101 VanDerWaalsContact CE2-OD1 3.3Å; Y90-D101 WeakPolarHBondContact CE2-OD1 3.49Å; Y90-D101 PolarHBondContact OH-OD1 3.09Å; Y90-D101 VanDerWaalsContact OH-OD1 3.05Å; R97-D101 WeakPolarHBondContact CG-OD2 3.18Å; R97-D101 WeakPolarHBondContact O-CB 3.44Å; R97-D101 VanDerWaalsContact O-CG 3.24Å; R97-D101 PolarHBondContact O-N 3.16Å
102L90.1Very high91.2Very high73 Ų7330.7 Ų30.738%0.38216%0.16SC..Hα-helixtrans-95.6-12.3-170.1-58.2174.4000114.4A98 I322A98-L102 HydrophobicContact CB-CD1 4.27Å; A98-L102 WeakPolarHBondContact O-CB 3.45Å; A98-L102 WeakPolarHBondContact O-CG 3.43Å; A98-L102 PolarHBondContact O-N 3.22Å; L102-I322 HydrophobicContact CB-CD1 4.25Å; L102-I322 HydrophobicContact CB-CG1 4.34Å; L102-I322 HydrophobicContact CD1-CD1 4.12Å; L102-I322 HydrophobicContact CD1-CG2 4.07Å
103L93Very high91.3Very high0 Ų022 Ų220%013%0.129CC..  trans-123.3164.8179.9-48.7171.9000111.2K59 P60 I62 Y99 V100 W105 A318 V321 I322K59-L103 WeakPolarHBondContact CE-O 3.3Å; K59-L103 PolarHBondContact NZ-O 2.64Å; P60-L103 HydrophobicContact CB-CD2 4.46Å; P60-L103 HydrophobicContact CG-CD2 3.68Å; P60-L103 WeakPolarHBondContact O-CA 3.45Å; I62-L103 HydrophobicContact CD1-CD1 3.74Å; I62-L103 HydrophobicContact CG1-CD1 4.37Å; Y99-L103 WeakPolarHBondContact O-CB 3.35Å; Y99-L103 PolarHBondContact O-N 3.13Å; V100-L103 VanDerWaalsContact O-O 3.14Å; L103-W105 HydrophobicContact CD1-CZ2 3.9Å; L103-A318 HydrophobicContact CD1-CB 3.81Å; L103-V321 HydrophobicContact CD2-CB 4.32Å; L103-V321 HydrophobicContact CD2-CG1 3.62Å; L103-I322 HydrophobicContact CD1-CD1 4.21Å; L103-I322 HydrophobicContact CD1-CG1 4.19Å; L103-I322 HydrophobicContact CD2-CD1 4.36Å; L103-I322 HydrophobicContact CD2-CG1 3.57Å; L103-I322 HydrophobicContact CG-CD1 4.21Å; L103-I322 HydrophobicContact CG-CG1 3.97Å
104T91.5Very high91.3Very high12 Ų1222.1 Ų22.17%0.07413%0.13CC..EExtended strand (participates in β ladder)trans-115.5124.2161.6-56.50000108.6Q51 P60 S61 I62 Y106Q51-T104 HydrophobicContact CG-CG2 3.89Å; P60-T104 PolarHBondContact O-N 3.37Å; S61-T104 CarbonylContact C-O 3.59Å; S61-T104 WeakPolarHBondContact CA-O 3.45Å; I62-T104 PolarHBondContact N-O 2.81Å; T104-Y106 HydrophobicContact CG2-CD2 4.11Å; T104-Y106 HydrophobicContact CG2-CE1 4.5Å; T104-Y106 HydrophobicContact CG2-CE2 3.51Å
105W92.7Very high91.3Very high0 Ų018.3 Ų18.30%010%0.098CC..EExtended strand (participates in β ladder)trans-99.2123.4177.9-6177.2000109.3Q51 I52 I62 L86 Y99 L103 I107 W311 I314 A318Q51-W105 CarbonylContact C-O 3.6Å; Q51-W105 VanDerWaalsContact CA-O 3.29Å; Q51-W105 WeakPolarHBondContact CA-O 3.39Å; I52-W105 HydrophobicContact CB-CB 4.19Å; I52-W105 PolarHBondContact N-O 3.36Å; I52-W105 PolarHBondContact O-N 2.66Å; I62-W105 HydrophobicContact CB-CD2 4.42Å; I62-W105 HydrophobicContact CB-CE3 4.1Å; I62-W105 HydrophobicContact CB-CZ3 4.37Å; I62-W105 HydrophobicContact CD1-CE3 4.47Å; I62-W105 HydrophobicContact CD1-CH2 3.83Å; I62-W105 HydrophobicContact CD1-CZ2 4.03Å; I62-W105 HydrophobicContact CD1-CZ3 4.06Å; I62-W105 HydrophobicContact CG2-CE3 3.95Å; I62-W105 HydrophobicContact CG2-CZ3 3.93Å; L86-W105 HydrophobicContact CD1-CB 4.36Å; L86-W105 HydrophobicContact CD1-CD2 3.78Å; L86-W105 HydrophobicContact CD1-CE3 4.01Å; L86-W105 HydrophobicContact CD1-CG 3.92Å; L86-W105 HydrophobicContact CD2-CD2 4.21Å; L86-W105 HydrophobicContact CD2-CZ2 4.04Å; Y99-W105 PolarHBondContact O-NE1 3.22Å; L103-W105 HydrophobicContact CD1-CZ2 3.9Å; W105-I107 HydrophobicContact CB-CD1 4.26Å; W105-I107 HydrophobicContact CB-CG1 4.19Å; W105-I107 HydrophobicContact CE3-CD1 4.5Å; W105-W311 HydrophobicContact CH2-CH2 4.27Å; W105-W311 AromaticContact CH2-CZ3 3.97Å; W105-W311 HydrophobicContact CH2-CZ3 3.97Å; W105-W311 HydrophobicContact CZ2-CH2 4.43Å; W105-W311 HydrophobicContact CZ3-CZ3 4.37Å; W105-I314 HydrophobicContact CH2-CG2 3.86Å; W105-I314 HydrophobicContact CZ3-CG2 3.83Å; W105-A318 HydrophobicContact CH2-CB 4Å; W105-A318 HydrophobicContact CZ2-CB 3.95Å
106Y93Very high91.2Very high13 Ų1316.6 Ų16.65%0.0519%0.085CC..EExtended strand (participates in β ladder)trans-107.3108.6168.4-69.2-77.1000108.1F49 F50 Q51 I62 W63 L64 T104 F194 E201 F202F49-Y106 AromaticContact CE1-CD1 3.87Å; F49-Y106 HydrophobicContact CE1-CD1 3.87Å; F49-Y106 HydrophobicContact CE1-CE1 4.42Å; F49-Y106 HydrophobicContact CE2-CD1 4.41Å; F49-Y106 AromaticContact CZ-CD1 3.43Å; F49-Y106 HydrophobicContact CZ-CD1 3.43Å; F49-Y106 VanDerWaalsContact CZ-CD1 3.43Å; F49-Y106 HydrophobicContact CZ-CE1 4.33Å; F49-Y106 HydrophobicContact CZ-CG 4.13Å; F50-Y106 CarbonylContact O-C 3.4Å; F50-Y106 WeakPolarHBondContact O-CA 3.17Å; Q51-Y106 HydrophobicContact CB-CD1 4.14Å; Q51-Y106 HydrophobicContact CB-CE1 3.97Å; Q51-Y106 HydrophobicContact CG-CD1 4.07Å; Q51-Y106 HydrophobicContact CG-CE1 3.55Å; I62-Y106 PolarHBondContact O-N 2.86Å; W63-Y106 WeakPolarHBondContact CA-O 3.28Å; L64-Y106 PolarHBondContact N-O 3.45Å; T104-Y106 HydrophobicContact CG2-CD2 4.11Å; T104-Y106 HydrophobicContact CG2-CE1 4.5Å; T104-Y106 HydrophobicContact CG2-CE2 3.51Å; Y106-F194 AromaticContact CD1-CE1 3.96Å; Y106-F194 HydrophobicContact CD1-CE1 3.96Å; Y106-F194 AromaticContact CD1-CZ 3.62Å; Y106-F194 HydrophobicContact CD1-CZ 3.62Å; Y106-F194 HydrophobicContact CE1-CE1 4.31Å; Y106-F194 AromaticContact CE1-CZ 3.66Å; Y106-F194 HydrophobicContact CE1-CZ 3.66Å; Y106-F194 HydrophobicContact CG-CE1 4.1Å; Y106-F194 HydrophobicContact CG-CZ 4.22Å; Y106-E201 VanDerWaalsContact CE2-OE1 3.3Å; Y106-E201 WeakPolarHBondContact CE2-OE1 3.28Å; Y106-F202 AromaticContact CD2-CE1 3.43Å; Y106-F202 HydrophobicContact CD2-CE1 3.43Å; Y106-F202 VanDerWaalsContact CD2-CE1 3.43Å; Y106-F202 AromaticContact CD2-CZ 3.72Å; Y106-F202 HydrophobicContact CD2-CZ 3.72Å; Y106-F202 HydrophobicContact CE2-CE1 4.12Å; Y106-F202 HydrophobicContact CE2-CZ 4.08Å; Y106-F202 HydrophobicContact CG-CE1 4.05Å; Y106-F202 HydrophobicContact CG-CZ 4.24Å
107I92.2Very high91.3Very high0 Ų020.5 Ų20.50%010%0.104CC..EExtended strand (participates in β ladder)trans-116121.8-174.2-51.2-180000109.8F50 I52 L64 A79 I82 I83 L86 W105 P109F50-I107 HydrophobicContact CB-CB 4.21Å; F50-I107 PolarHBondContact N-O 2.91Å; F50-I107 PolarHBondContact O-N 3.31Å; I52-I107 HydrophobicContact CD1-CD1 4.22Å; L64-I107 HydrophobicContact CB-CG1 4.27Å; L64-I107 HydrophobicContact CD2-CG2 3.73Å; L64-I107 CarbonylContact O-C 3.56Å; L64-I107 VanDerWaalsContact O-CA 3.24Å; L64-I107 WeakPolarHBondContact O-CA 3.4Å; A79-I107 HydrophobicContact CB-CG2 4.43Å; I82-I107 HydrophobicContact CG2-CD1 4.39Å; I83-I107 HydrophobicContact CD1-CB 4.22Å; I83-I107 HydrophobicContact CD1-CG2 3.71Å; I83-I107 HydrophobicContact CG1-CB 4.15Å; I83-I107 HydrophobicContact CG1-CD1 3.66Å; I83-I107 HydrophobicContact CG1-CG1 4.49Å; I83-I107 HydrophobicContact CG1-CG2 3.87Å; L86-I107 HydrophobicContact CD1-CD1 3.72Å; W105-I107 HydrophobicContact CB-CD1 4.26Å; W105-I107 HydrophobicContact CB-CG1 4.19Å; W105-I107 HydrophobicContact CE3-CD1 4.5Å; I107-P109 HydrophobicContact CG2-CG 4.29Å
108L91.8Very high91.5Very high0 Ų018.9 Ų18.90%010%0.099CC..EExtended strand (participates in β ladder)trans-116.291.5175179.859.4000109.6M44 F49 W63 L64 D65 A66 V110 V111 I191M44-L108 HydrophobicContact CE-CD2 3.46Å; M44-L108 VanDerWaalsContact CE-CD2 3.46Å; M44-L108 HydrophobicContact SD-CD1 3.63Å; M44-L108 HydrophobicContact SD-CD2 3.54Å; M44-L108 VanDerWaalsContact SD-CD2 3.54Å; M44-L108 HydrophobicContact SD-CG 4.17Å; F49-L108 HydrophobicContact CD2-CB 4.13Å; F49-L108 HydrophobicContact CD2-CD1 4.3Å; F49-L108 HydrophobicContact CE2-CB 4.49Å; W63-L108 HydrophobicContact CH2-CB 4.29Å; W63-L108 HydrophobicContact CH2-CD2 4.06Å; W63-L108 HydrophobicContact CZ2-CB 4.2Å; W63-L108 HydrophobicContact CZ2-CD2 3.99Å; L64-L108 PolarHBondContact O-N 2.91Å; D65-L108 CarbonylContact C-O 3.53Å; D65-L108 VanDerWaalsContact CA-O 3.27Å; D65-L108 WeakPolarHBondContact CA-O 3.15Å; D65-L108 HydrophobicContact CB-CB 4.16Å; A66-L108 PolarHBondContact N-O 2.91Å; L108-V110 PolarHBondContact O-N 2.94Å; L108-V111 HydrophobicContact CD2-CB 4.48Å; L108-V111 HydrophobicContact CD2-CG2 3.77Å; L108-V111 HydrophobicContact CG-CG2 4.15Å; L108-I191 HydrophobicContact CD2-CD1 4.42Å; L108-I191 HydrophobicContact CD2-CG1 4.4Å
109P91.8Very high91.8Very high4 Ų417.3 Ų17.33%0.0269%0.087CC..SBendtrans-65.2-23.7-172.6-24.436.4000114.8M48 F50 A66 P76 A79 I80 I83 I107M48-P109 WeakPolarHBondContact O-CD 3.44Å; F50-P109 HydrophobicContact CD2-CG 4.11Å; F50-P109 HydrophobicContact CE2-CG 4.11Å; A66-P109 CarbonylContact C-O 3.5Å; A66-P109 WeakPolarHBondContact CB-O 3.49Å; A66-P109 CarbonylContact O-C 3.21Å; P76-P109 WeakPolarHBondContact CA-O 3.28Å; P76-P109 WeakPolarHBondContact CB-O 3.38Å; A79-P109 HydrophobicContact CB-CB 3.97Å; A79-P109 HydrophobicContact CB-CG 4.44Å; I80-P109 HydrophobicContact CD1-CB 3.88Å; I80-P109 HydrophobicContact CD1-CG 3.81Å; I80-P109 HydrophobicContact CG1-CB 4.3Å; I83-P109 HydrophobicContact CD1-CG 3.65Å; I107-P109 HydrophobicContact CG2-CG 4.29Å
110V91Very high91.7Very high2 Ų223.1 Ų23.11%0.01211%0.109CC..  trans-139.6103-179.4178.90000108.8M8 N47 A66 P76 L108 P113 L116M8-V110 HydrophobicContact CE-CG2 4.01Å; N47-V110 VanDerWaalsContact ND2-CB 3.3Å; N47-V110 WeakPolarHBondContact ND2-CB 3.43Å; N47-V110 WeakPolarHBondContact ND2-CG1 3.5Å; N47-V110 PolarHBondContact ND2-O 3.02Å; A66-V110 CarbonylContact O-C 3.54Å; A66-V110 WeakPolarHBondContact O-CA 3.4Å; P76-V110 HydrophobicContact CB-CG2 3.91Å; P76-V110 HydrophobicContact CG-CG2 4.11Å; L108-V110 PolarHBondContact O-N 2.94Å; V110-P113 HydrophobicContact CG1-CB 4.23Å; V110-L116 HydrophobicContact CB-CD2 4.35Å; V110-L116 HydrophobicContact CG1-CB 4.2Å; V110-L116 HydrophobicContact CG1-CD2 3.69Å; V110-L116 HydrophobicContact CG2-CD2 3.63Å
111V93.7Very high92.1Very high0 Ų027 Ų270%014%0.14CC..SBendtrans-72.9-37.1173.8172.80000111.2D65 A66 I68 L108 P113 L155 E187 I191D65-V111 HydrophobicContact CB-CG2 3.65Å; A66-V111 WeakPolarHBondContact O-CG2 3.36Å; A66-V111 PolarHBondContact O-N 2.94Å; I68-V111 HydrophobicContact CB-CB 3.97Å; I68-V111 HydrophobicContact CB-CG1 4.1Å; I68-V111 HydrophobicContact CB-CG2 4.35Å; I68-V111 HydrophobicContact CD1-CG1 4.33Å; I68-V111 HydrophobicContact CG1-CB 4.36Å; I68-V111 HydrophobicContact CG1-CG1 3.92Å; L108-V111 HydrophobicContact CD2-CB 4.48Å; L108-V111 HydrophobicContact CD2-CG2 3.77Å; L108-V111 HydrophobicContact CG-CG2 4.15Å; V111-P113 WeakPolarHBondContact O-CD 3.27Å; V111-L155 HydrophobicContact CG1-CD1 4.15Å; V111-E187 HydrophobicContact CG1-CB 4.27Å; V111-E187 WeakPolarHBondContact O-CG 3.21Å; V111-I191 HydrophobicContact CG1-CD1 3.73Å; V111-I191 HydrophobicContact CG2-CD1 4.07Å
112N94.2Very high92.5Very high0 Ų027.6 Ų27.60%015%0.148CC..  trans-113.673.2-173.7-177-5.6000111.4G67 I68 D114 G115 L116 K132 N133 L155G67-N112 WeakPolarHBondContact O-CB 3.41Å; G67-N112 PolarHBondContact O-N 2.9Å; I68-N112 VanDerWaalsContact O-CB 3.3Å; I68-N112 WeakPolarHBondContact O-CB 3.46Å; I68-N112 PolarHBondContact O-ND2 3.38Å; N112-D114 PolarHBondContact OD1-OD1 2.95Å; N112-G115 WeakPolarHBondContact OD1-CA 3.33Å; N112-G115 PolarHBondContact OD1-N 2.81Å; N112-L116 WeakPolarHBondContact O-CB 3.36Å; N112-L116 PolarHBondContact O-N 2.82Å; N112-K132 VanDerWaalsContact ND2-C 3.26Å; N112-K132 PolarHBondContact ND2-O 3Å; N112-N133 PolarHBondContact ND2-N 3.25Å; N112-N133 VanDerWaalsContact OD1-CA 3.28Å; N112-N133 WeakPolarHBondContact OD1-CA 3.24Å; N112-L155 HydrophobicContact CB-CD1 3.78Å
113P88.8Confident92.7Very high14 Ų1431 Ų319%0.09117%0.166CC..Hα-helixtrans-65-43.6-176.119.7-28.4000113.4M44 N47 V110 V111 L116 E117M44-P113 HydrophobicContact CB-CG 4.03Å; M44-P113 WeakPolarHBondContact O-CG 3.36Å; N47-P113 WeakPolarHBondContact ND2-CB 3.43Å; V110-P113 HydrophobicContact CG1-CB 4.23Å; V111-P113 WeakPolarHBondContact O-CD 3.27Å; P113-L116 PolarHBondContact O-N 2.94Å; P113-E117 WeakPolarHBondContact O-CB 3.46Å; P113-E117 WeakPolarHBondContact O-CG 3.21Å; P113-E117 PolarHBondContact O-N 2.89Å
114D91.7Very high92.9Very high44 Ų4433.2 Ų33.224%0.23518%0.178CC..Hα-helixtrans-65.6-40.9-178.462.7-23000111.5N112 F118 R134N112-D114 PolarHBondContact OD1-OD1 2.95Å; D114-F118 WeakPolarHBondContact O-CB 3.36Å; D114-F118 PolarHBondContact O-N 3.01Å; D114-R134 VanDerWaalsContact C-CG 3.45Å; D114-R134 HydrophobicContact CB-CB 4Å; D114-R134 HydrophobicContact CB-CG 3.99Å; D114-R134 VanDerWaalsContact O-CG 3.28Å; D114-R134 WeakPolarHBondContact O-CG 3.16Å; D114-R134 VanDerWaalsContact OD2-CA 3.22Å; D114-R134 WeakPolarHBondContact OD2-CA 3.28Å; D114-R134 WeakPolarHBondContact OD2-CB 3.2Å; D114-R134 PolarHBondContact OD2-N 3.44Å
115G94.4Very high93.1Very high0 Ų036.8 Ų36.80%020%0.202CC..Hα-helixtrans-65.2-44.2172.100000111.8A70 N112 F118 S119A70-G115 VanDerWaalsContact CB-O 3.24Å; A70-G115 WeakPolarHBondContact CB-O 3.41Å; N112-G115 WeakPolarHBondContact OD1-CA 3.33Å; N112-G115 PolarHBondContact OD1-N 2.81Å; G115-F118 PolarHBondContact O-N 2.97Å; G115-S119 PolarHBondContact O-N 3.47Å
116L92.9Very high93.3Very high8 Ų846 Ų464%0.04224%0.237CC..Hα-helixtrans-59.2-49.9177.6178.861.9000111.2M8 V110 N112 P113 F118 S119 R120M8-L116 HydrophobicContact CE-CD2 4.27Å; M8-L116 HydrophobicContact SD-CD2 3.77Å; V110-L116 HydrophobicContact CB-CD2 4.35Å; V110-L116 HydrophobicContact CG1-CB 4.2Å; V110-L116 HydrophobicContact CG1-CD2 3.69Å; V110-L116 HydrophobicContact CG2-CD2 3.63Å; N112-L116 WeakPolarHBondContact O-CB 3.36Å; N112-L116 PolarHBondContact O-N 2.82Å; P113-L116 PolarHBondContact O-N 2.94Å; L116-F118 VanDerWaalsContact C-N 3.32Å; L116-F118 PolarHBondContact O-N 3.15Å; L116-S119 PolarHBondContact O-N 3.07Å; L116-S119 VanDerWaalsContact O-N 3.13Å; L116-S119 PolarHBondContact O-OG 3.18Å; L116-R120 HydrophobicContact CD1-CG 4.23Å; L116-R120 WeakPolarHBondContact O-CG 3.38Å; L116-R120 PolarHBondContact O-N 3.27Å; L116-R120 VanDerWaalsContact O-N 3.08Å
117E90.5Very high93.5Very high83 Ų8346.6 Ų46.639%0.38824%0.241SC..Hα-helixtrans-57-45.5177.1-76.5-55.8117.900111.5P113 S119 R120 A121P113-E117 WeakPolarHBondContact O-CB 3.46Å; P113-E117 WeakPolarHBondContact O-CG 3.21Å; P113-E117 PolarHBondContact O-N 2.89Å; E117-S119 PolarHBondContact O-N 2.79Å; E117-R120 PolarHBondContact O-N 3.32Å; E117-A121 PolarHBondContact O-N 3.44Å
118F93.1Very high93.7Very high61 Ų6147.6 Ų47.627%0.26825%0.245SC..Hα-helixtrans-59.4-48.3175.1-179.4-102.4000111.5D114 G115 L116 R120 A121 V127 W130 R134D114-F118 WeakPolarHBondContact O-CB 3.36Å; D114-F118 PolarHBondContact O-N 3.01Å; G115-F118 PolarHBondContact O-N 2.97Å; L116-F118 VanDerWaalsContact C-N 3.32Å; L116-F118 PolarHBondContact O-N 3.15Å; F118-R120 PolarHBondContact O-N 2.93Å; F118-A121 VanDerWaalsContact O-CB 3.31Å; F118-A121 WeakPolarHBondContact O-CB 3.38Å; F118-A121 PolarHBondContact O-N 2.91Å; F118-A121 VanDerWaalsContact O-N 3.08Å; F118-V127 HydrophobicContact CD1-CG1 4.31Å; F118-V127 HydrophobicContact CE1-CB 4.33Å; F118-V127 HydrophobicContact CE1-CG1 4.09Å; F118-V127 HydrophobicContact CE1-CG2 4.38Å; F118-V127 HydrophobicContact CE2-CG1 4.47Å; F118-V127 HydrophobicContact CZ-CB 4.39Å; F118-V127 HydrophobicContact CZ-CG1 4.17Å; F118-V127 HydrophobicContact CZ-CG2 3.98Å; F118-V127 WeakPolarHBondContact O-CG1 3.48Å; F118-W130 HydrophobicContact CD1-CB 3.67Å; F118-W130 AromaticContact CD1-CD1 3.9Å; F118-W130 AromaticContact CD1-CD2 3.77Å; F118-W130 HydrophobicContact CD1-CD2 3.77Å; F118-W130 HydrophobicContact CD1-CE3 4.23Å; F118-W130 AromaticContact CD1-CG 3.47Å; F118-W130 HydrophobicContact CD1-CG 3.47Å; F118-W130 VanDerWaalsContact CD1-CG 3.47Å; F118-W130 HydrophobicContact CE1-CB 3.88Å; F118-W130 AromaticContact CE1-CD2 3.64Å; F118-W130 HydrophobicContact CE1-CD2 3.64Å; F118-W130 AromaticContact CE1-CE3 3.61Å; F118-W130 HydrophobicContact CE1-CE3 3.61Å; F118-W130 AromaticContact CE1-CG 3.76Å; F118-W130 HydrophobicContact CE1-CG 3.76Å; F118-W130 HydrophobicContact CE1-CZ3 4.45Å; F118-W130 HydrophobicContact CZ-CE3 4.47Å; F118-R134 HydrophobicContact CB-CG 4.14Å
119S95.2Very high94Very high0 Ų050.4 Ų50.40%026%0.26CS..Hα-helixtrans-61.8-28.4-177.574.90000113.3A70 W73 G115 L116 E117 V127 R128A70-S119 PolarHBondContact O-OG 2.95Å; W73-S119 WeakPolarHBondContact CZ2-O 3.04Å; W73-S119 PolarHBondContact NE1-OG 2.86Å; G115-S119 PolarHBondContact O-N 3.47Å; L116-S119 PolarHBondContact O-N 3.07Å; L116-S119 VanDerWaalsContact O-N 3.13Å; L116-S119 PolarHBondContact O-OG 3.18Å; E117-S119 PolarHBondContact O-N 2.79Å; S119-V127 VanDerWaalsContact CA-O 3.31Å; S119-V127 WeakPolarHBondContact CA-O 3.46Å; S119-R128 WeakPolarHBondContact O-CA 3.24Å
120R92.1Very high94.3Very high131 Ų13151.9 Ų51.949%0.49427%0.265SS..Hα-helixtrans-83.7-12.8179.8-68.516664.189.2-0.7113.5W73 L116 E117 F118 S122W73-R120 HydrophobicContact CD2-CG 4.49Å; W73-R120 HydrophobicContact CH2-CB 4.25Å; W73-R120 HydrophobicContact CH2-CG 3.74Å; W73-R120 HydrophobicContact CZ2-CB 4Å; W73-R120 HydrophobicContact CZ2-CG 3.31Å; W73-R120 HydrophobicContact CZ3-CG 4.48Å; L116-R120 HydrophobicContact CD1-CG 4.23Å; L116-R120 WeakPolarHBondContact O-CG 3.38Å; L116-R120 PolarHBondContact O-N 3.27Å; L116-R120 VanDerWaalsContact O-N 3.08Å; E117-R120 PolarHBondContact O-N 3.32Å; F118-R120 PolarHBondContact O-N 2.93Å; R120-S122 VanDerWaalsContact C-N 3.28Å; R120-S122 PolarHBondContact O-N 2.97Å
121A94.4Very high94.6Very high80 Ų8052.4 Ų52.466%0.66127%0.267SS*.SBendtrans-70.6-20.2-173.800000114E117 F118 V127E117-A121 PolarHBondContact O-N 3.44Å; F118-A121 VanDerWaalsContact O-CB 3.31Å; F118-A121 WeakPolarHBondContact O-CB 3.38Å; F118-A121 PolarHBondContact O-N 2.91Å; F118-A121 VanDerWaalsContact O-N 3.08Å; A121-V127 HydrophobicContact CB-CG1 4.36Å
122S95.4Very high94.8Very high54 Ų5452.6 Ų52.638%0.37827%0.267SS..  trans-160.4153.1-179.7-179.60000112.2R120 D124R120-S122 VanDerWaalsContact C-N 3.28Å; R120-S122 PolarHBondContact O-N 2.97Å; S122-D124 VanDerWaalsContact C-N 3.28Å; S122-D124 PolarHBondContact OG-N 3.33Å; S122-D124 VanDerWaalsContact OG-N 3.11Å
123N94.2Very high95Very high144 Ų14452.6 Ų52.677%0.7727%0.267SS*.SBendtrans-81.5-2170.7-72.3-32000113.5
124D97.4Very high95.3Very high48 Ų4855 Ų5526%0.25728%0.275SS..SBendtrans-56.3126.7170.5-174.7-49000109.3S122 R126 V127 R128S122-D124 VanDerWaalsContact C-N 3.28Å; S122-D124 PolarHBondContact OG-N 3.33Å; S122-D124 VanDerWaalsContact OG-N 3.11Å; D124-R126 PolarHBondContact O-N 3.41Å; D124-R126 VanDerWaalsContact OD1-CB 3.28Å; D124-R126 WeakPolarHBondContact OD1-CB 3.48Å; D124-R126 WeakPolarHBondContact OD1-CG 3.35Å; D124-R126 IonicContact OD1-CZ 3.29Å; D124-R126 PolarHBondContact OD1-N 3.12Å; D124-R126 IonicContact OD1-NE 2.68Å; D124-R126 PolarHBondContact OD1-NE 3.26Å; D124-R126 IonicContact OD1-NH2 3.4Å; D124-R126 IonicContact OD2-CZ 3.54Å; D124-R126 IonicContact OD2-NE 2.69Å; D124-R126 PolarHBondContact OD2-NE 2.87Å; D124-R126 IonicContact OD2-NH2 2.82Å; D124-R126 PolarHBondContact OD2-NH2 3.27Å; D124-V127 HydrophobicContact CB-CB 4.41Å; D124-V127 HydrophobicContact CB-CG2 4.2Å; D124-V127 CarbonylContact O-C 3.55Å; D124-V127 WeakPolarHBondContact O-CA 3.22Å; D124-V127 WeakPolarHBondContact O-CB 3.24Å; D124-V127 PolarHBondContact O-N 3.06Å; D124-R128 PolarHBondContact O-N 2.95Å
125P96Very high95.4Very high87 Ų8754.2 Ų54.257%0.56527%0.272SS*.Hα-helixtrans-54.2-30.8-178.1-28.835.9000114.5V127 L129P125-V127 PolarHBondContact O-N 3.09Å; P125-L129 HydrophobicContact CB-CD1 4.19Å; P125-L129 VanDerWaalsContact O-CB 3.23Å; P125-L129 WeakPolarHBondContact O-CB 3.33Å; P125-L129 PolarHBondContact O-N 3.48Å
126R94.8Very high95.3Very high194 Ų19458.2 Ų58.273%0.73231%0.306SS*.Hα-helixtrans-68.6-19.2177.2-60.4171.1-68.8-1800.6113D124D124-R126 PolarHBondContact O-N 3.41Å; D124-R126 VanDerWaalsContact OD1-CB 3.28Å; D124-R126 WeakPolarHBondContact OD1-CB 3.48Å; D124-R126 WeakPolarHBondContact OD1-CG 3.35Å; D124-R126 IonicContact OD1-CZ 3.29Å; D124-R126 PolarHBondContact OD1-N 3.12Å; D124-R126 IonicContact OD1-NE 2.68Å; D124-R126 PolarHBondContact OD1-NE 3.26Å; D124-R126 IonicContact OD1-NH2 3.4Å; D124-R126 IonicContact OD2-CZ 3.54Å; D124-R126 IonicContact OD2-NE 2.69Å; D124-R126 PolarHBondContact OD2-NE 2.87Å; D124-R126 IonicContact OD2-NH2 2.82Å; D124-R126 PolarHBondContact OD2-NH2 3.27Å
127V97.6Very high95.3Very high25 Ų2560.2 Ų60.215%0.15232%0.323CS..Hα-helixtrans-101.9-58177.1-178.40000109.1F118 S119 A121 D124 P125 L129 W130F118-V127 HydrophobicContact CD1-CG1 4.31Å; F118-V127 HydrophobicContact CE1-CB 4.33Å; F118-V127 HydrophobicContact CE1-CG1 4.09Å; F118-V127 HydrophobicContact CE1-CG2 4.38Å; F118-V127 HydrophobicContact CE2-CG1 4.47Å; F118-V127 HydrophobicContact CZ-CB 4.39Å; F118-V127 HydrophobicContact CZ-CG1 4.17Å; F118-V127 HydrophobicContact CZ-CG2 3.98Å; F118-V127 WeakPolarHBondContact O-CG1 3.48Å; S119-V127 VanDerWaalsContact CA-O 3.31Å; S119-V127 WeakPolarHBondContact CA-O 3.46Å; A121-V127 HydrophobicContact CB-CG1 4.36Å; D124-V127 HydrophobicContact CB-CB 4.41Å; D124-V127 HydrophobicContact CB-CG2 4.2Å; D124-V127 CarbonylContact O-C 3.55Å; D124-V127 WeakPolarHBondContact O-CA 3.22Å; D124-V127 WeakPolarHBondContact O-CB 3.24Å; D124-V127 PolarHBondContact O-N 3.06Å; P125-V127 PolarHBondContact O-N 3.09Å; V127-L129 VanDerWaalsContact C-N 3.27Å; V127-L129 PolarHBondContact O-N 3.44Å; V127-W130 WeakPolarHBondContact O-CB 3.16Å; V127-W130 PolarHBondContact O-N 3.14Å
128R97Very high95.4Very high21 Ų2158.3 Ų58.38%0.07932%0.319CS..Hα-helixtrans-58.3-34.8-176.3178.756-172.780.30.8114.1R71 W73 S119 D124 F296 L297R71-R128 PolarHBondContact O-NH1 2.92Å; W73-R128 VanDerWaalsContact CH2-CD 3.49Å; S119-R128 WeakPolarHBondContact O-CA 3.24Å; D124-R128 PolarHBondContact O-N 2.95Å; R128-F296 PolarHBondContact NH2-O 3.25Å; R128-L297 HydrophobicContact CG-CD2 3.72Å
129L97.5Very high95.3Very high58 Ų5858.1 Ų58.130%0.30433%0.325SS..THydrogen-bonded Turntrans-98.317.3-178.5-53.2177.7000112.8R71 P125 V127 R131 F296 L297R71-L129 WeakPolarHBondContact CD-O 3.48Å; P125-L129 HydrophobicContact CB-CD1 4.19Å; P125-L129 VanDerWaalsContact O-CB 3.23Å; P125-L129 WeakPolarHBondContact O-CB 3.33Å; P125-L129 PolarHBondContact O-N 3.48Å; V127-L129 VanDerWaalsContact C-N 3.27Å; V127-L129 PolarHBondContact O-N 3.44Å; L129-R131 PolarHBondContact O-N 2.83Å; L129-F296 HydrophobicContact CD2-CB 4.1Å; L129-L297 HydrophobicContact CD2-CD2 4.13Å; L129-L297 HydrophobicContact CD2-CG 4.38Å
130W98Very high94.9Very high36 Ų3660.6 Ų60.614%0.13634%0.337CS..  trans-59.5128.1175-172-95.5000111.4A70 R71 F118 V127 K132 N133 R134 L151A70-W130 CarbonylContact C-O 3.59Å; A70-W130 VanDerWaalsContact CB-O 3.28Å; A70-W130 WeakPolarHBondContact CB-O 3.48Å; R71-W130 VanDerWaalsContact CB-O 3.27Å; R71-W130 WeakPolarHBondContact CB-O 3.46Å; R71-W130 PolarHBondContact N-O 3.05Å; F118-W130 HydrophobicContact CD1-CB 3.67Å; F118-W130 AromaticContact CD1-CD1 3.9Å; F118-W130 AromaticContact CD1-CD2 3.77Å; F118-W130 HydrophobicContact CD1-CD2 3.77Å; F118-W130 HydrophobicContact CD1-CE3 4.23Å; F118-W130 AromaticContact CD1-CG 3.47Å; F118-W130 HydrophobicContact CD1-CG 3.47Å; F118-W130 VanDerWaalsContact CD1-CG 3.47Å; F118-W130 HydrophobicContact CE1-CB 3.88Å; F118-W130 AromaticContact CE1-CD2 3.64Å; F118-W130 HydrophobicContact CE1-CD2 3.64Å; F118-W130 AromaticContact CE1-CE3 3.61Å; F118-W130 HydrophobicContact CE1-CE3 3.61Å; F118-W130 AromaticContact CE1-CG 3.76Å; F118-W130 HydrophobicContact CE1-CG 3.76Å; F118-W130 HydrophobicContact CE1-CZ3 4.45Å; F118-W130 HydrophobicContact CZ-CE3 4.47Å; V127-W130 WeakPolarHBondContact O-CB 3.16Å; V127-W130 PolarHBondContact O-N 3.14Å; W130-K132 HydrophobicContact CZ2-CB 4.18Å; W130-K132 PolarHBondContact NE1-O 2.92Å; W130-N133 PolarHBondContact NE1-O 3.12Å; W130-N133 VanDerWaalsContact NE1-O 3.16Å; W130-R134 VanDerWaalsContact CE2-NH1 3.31Å; W130-L151 HydrophobicContact CH2-CB 4.43Å; W130-L151 HydrophobicContact CZ2-CB 4.5Å; W130-L151 WeakPolarHBondContact CZ2-O 3.41Å
131R98.3Very high94.3Very high13 Ų1361 Ų615%0.04935%0.349CS..  trans-96.4-47.3-176.6179.9-178.5171.677.82.9113.6H69 A70 L129 D154 E175H69-R131 CarbonylContact C-O 3.52Å; H69-R131 VanDerWaalsContact CA-O 3.3Å; H69-R131 WeakPolarHBondContact CA-O 3.24Å; H69-R131 HydrophobicContact CB-CG 4.19Å; H69-R131 VanDerWaalsContact CE1-CZ 3.42Å; H69-R131 PolarHBondContact CE1-NH1 2.89Å; H69-R131 PolarHBondContact CE1-NH2 2.93Å; H69-R131 PolarHBondContact ND1-NH1 2.95Å; H69-R131 VanDerWaalsContact NE2-CZ 3.29Å; H69-R131 PolarHBondContact NE2-NH2 2.91Å; A70-R131 PolarHBondContact N-O 3.09Å; L129-R131 PolarHBondContact O-N 2.83Å; R131-D154 IonicContact CZ-OD1 3.52Å; R131-D154 IonicContact CZ-OD2 3.35Å; R131-D154 IonicContact NE-OD1 2.84Å; R131-D154 IonicContact NE-OD2 2.79Å; R131-D154 PolarHBondContact NE-OD2 3.12Å; R131-D154 IonicContact NH2-OD1 2.68Å; R131-D154 IonicContact NH2-OD2 3.15Å; R131-D154 PolarHBondContact NH2-OD2 3.28Å; R131-E175 WeakPolarHBondContact CB-OE2 3.47Å; R131-E175 WeakPolarHBondContact CD-O 3.42Å; R131-E175 PolarHBondContact NE-O 2.94Å
132K98.2Very high93.1Very high3 Ų359.7 Ų59.71%0.01333%0.334CS..SBendtrans-75.9174.9-166-62.8-168.1-63.5168.60112.6N112 W130 L151 G152 V153 D154 P172 E175N112-K132 VanDerWaalsContact ND2-C 3.26Å; N112-K132 PolarHBondContact ND2-O 3Å; W130-K132 HydrophobicContact CZ2-CB 4.18Å; W130-K132 PolarHBondContact NE1-O 2.92Å; K132-L151 WeakPolarHBondContact CE-O 3.49Å; K132-L151 PolarHBondContact NZ-O 3.12Å; K132-G152 WeakPolarHBondContact CD-O 3.44Å; K132-G152 WeakPolarHBondContact CE-O 3.44Å; K132-G152 PolarHBondContact NZ-O 2.87Å; K132-V153 WeakPolarHBondContact CA-O 3.37Å; K132-V153 VanDerWaalsContact CB-O 3.27Å; K132-V153 WeakPolarHBondContact CB-O 3.22Å; K132-D154 HydrophobicContact CG-CB 4.42Å; K132-P172 PolarHBondContact NZ-O 2.93Å; K132-E175 WeakPolarHBondContact CG-O 3.46Å
133N96.7Very high91.4Very high0 Ų065.8 Ų65.80%036%0.361CS..  trans-70.8-170.416273.9-3.2000110.9N112 W130 S135 G152 V153 L155 E185 E187N112-N133 PolarHBondContact ND2-N 3.25Å; N112-N133 VanDerWaalsContact OD1-CA 3.28Å; N112-N133 WeakPolarHBondContact OD1-CA 3.24Å; W130-N133 PolarHBondContact NE1-O 3.12Å; W130-N133 VanDerWaalsContact NE1-O 3.16Å; N133-S135 PolarHBondContact OD1-N 3.29Å; N133-S135 PolarHBondContact OD1-OG 3.39Å; N133-S135 VanDerWaalsContact OD1-OG 3.12Å; N133-G152 WeakPolarHBondContact O-CA 3.35Å; N133-G152 WeakPolarHBondContact OD1-CA 3.4Å; N133-V153 PolarHBondContact N-O 2.56Å; N133-V153 PolarHBondContact OD1-N 3.41Å; N133-V153 PolarHBondContact OD1-O 2.77Å; N133-L155 HydrophobicContact CB-CD1 4.21Å; N133-L155 HydrophobicContact CB-CD2 4.29Å; N133-L155 HydrophobicContact CB-CG 4.22Å; N133-E185 PolarHBondContact ND2-OE2 3.38Å; N133-E187 PolarHBondContact ND2-OE2 2.69Å
134R96.1Very high89.9Confident65 Ų6567.6 Ų67.625%0.24537%0.365CS..  trans-116.330177.6-52.4-63.3-63145.20.2112.2D114 F118 W130 L151D114-R134 VanDerWaalsContact C-CG 3.45Å; D114-R134 HydrophobicContact CB-CB 4Å; D114-R134 HydrophobicContact CB-CG 3.99Å; D114-R134 VanDerWaalsContact O-CG 3.28Å; D114-R134 WeakPolarHBondContact O-CG 3.16Å; D114-R134 VanDerWaalsContact OD2-CA 3.22Å; D114-R134 WeakPolarHBondContact OD2-CA 3.28Å; D114-R134 WeakPolarHBondContact OD2-CB 3.2Å; D114-R134 PolarHBondContact OD2-N 3.44Å; F118-R134 HydrophobicContact CB-CG 4.14Å; W130-R134 VanDerWaalsContact CE2-NH1 3.31Å; R134-L151 VanDerWaalsContact NH2-CD1 3.27Å
135S93.7Very high88.4Confident27 Ų2773.4 Ų73.419%0.18939%0.392CS..PPolyproline II helixtrans-57.3157.5173.766.80000112.5N133 L151 G152 E185N133-S135 PolarHBondContact OD1-N 3.29Å; N133-S135 PolarHBondContact OD1-OG 3.39Å; N133-S135 VanDerWaalsContact OD1-OG 3.12Å; S135-L151 WeakPolarHBondContact O-CD2 3.38Å; S135-G152 PolarHBondContact O-N 3.49Å; S135-G152 VanDerWaalsContact O-N 3.12Å; S135-G152 WeakPolarHBondContact OG-CA 3.25Å; S135-E185 WeakPolarHBondContact CB-OE2 3.3Å; S135-E185 PolarHBondContact OG-OE2 3.42Å
136A93.3Very high87.5Confident85 Ų8571.5 Ų71.570%0.70239%0.389SS*.PPolyproline II helixtrans-53.7146.7-173.400000112.2S138A136-S138 PolarHBondContact O-N 3.29Å
137A92Very high87Confident49 Ų4968.6 Ų68.641%0.40538%0.383SS..PPolyproline II helixtrans-62.8129.5-172.200000111.4C149 C150 L151A137-C149 HydrophobicContact CB-CB 4.15Å; A137-C150 VanDerWaalsContact CA-O 3.3Å; A137-C150 WeakPolarHBondContact CA-O 3.36Å; A137-L151 HydrophobicContact CB-CD2 3.78Å; A137-L151 HydrophobicContact CB-CG 4.12Å
138S92.8Very high86.5Confident43 Ų4372.1 Ų72.130%0.30140%0.398SS..EExtended strand (participates in β ladder)trans-95.8136.3168-70.50000108.6A136 C149 C150 P172A136-S138 PolarHBondContact O-N 3.29Å; S138-C149 WeakPolarHBondContact O-CA 3.46Å; S138-C150 PolarHBondContact N-O 3.06Å; S138-C150 PolarHBondContact O-N 3.48Å; S138-P172 WeakPolarHBondContact O-CG 3.49Å
139C90.7Very high86.3Confident57 Ų5774 Ų7439%0.38541%0.413SS..EExtended strand (participates in β ladder)trans-114.9133.4-174.2-560000111.3Q147 H148 C149C139-Q147 HydrophobicContact CB-CG 3.68Å; C139-H148 CarbonylContact C-O 3.59Å; C139-H148 WeakPolarHBondContact CA-O 3.21Å; C139-C149 HydrophobicContact CB-CB 4.04Å; C139-C149 WeakPolarHBondContact CB-SG 3.46Å; C139-C149 WeakPolarHBondContact SG-CB 3.04Å; C139-C149 CovalentContact SG-SG 2.04Å; C139-C149 PolarHBondContact SG-SG 2.92Å
140I86.9Confident86.2Confident52 Ų5272.5 Ų72.527%0.26741%0.407SS..EExtended strand (participates in β ladder)trans-104.3151167.149.3166.7000109.9P142 H148 D171 P172I140-P142 WeakPolarHBondContact O-CD 3.34Å; I140-H148 HydrophobicContact CG1-CB 4.35Å; I140-H148 PolarHBondContact N-O 3.26Å; I140-H148 PolarHBondContact O-N 3.27Å; I140-D171 WeakPolarHBondContact CD1-OD1 3.39Å; I140-P172 HydrophobicContact CG1-CG 4.23Å; I140-P172 HydrophobicContact CG2-CG 3.81Å
141L80.2Confident86.1Confident141 Ų14173.9 Ų73.974%0.73842%0.417SS*.  trans-102.184.2171.2-70.5169.4000108.4L143 Q147L141-L143 PolarHBondContact O-N 3.01Å; L141-Q147 HydrophobicContact CD2-CB 3.99Å; L141-Q147 HydrophobicContact CD2-CG 4.18Å
142P68.6Low86.1Confident52 Ų5273.4 Ų73.434%0.33842%0.416SS..  trans-61.2135168.624.1-31.3000109.3I140 Q144 M145 G146 H148I140-P142 WeakPolarHBondContact O-CD 3.34Å; P142-Q144 PolarHBondContact O-N 2.85Å; P142-M145 HydrophobicContact CG-CB 4.45Å; P142-G146 WeakPolarHBondContact CD-O 3.25Å; P142-G146 VanDerWaalsContact CG-O 3.23Å; P142-G146 WeakPolarHBondContact CG-O 3.47Å; P142-H148 HydrophobicContact CG-CB 4.22Å
143L60.1Low86.1Confident181 Ų18173.4 Ų73.495%0.94842%0.416SS*.THydrogen-bonded Turntrans-52.1-18.8-170.1-76.5157.1000115.5L141L141-L143 PolarHBondContact O-N 3.01Å
144Q62.4Low86.2Confident183 Ų18373.4 Ų73.486%0.85542%0.416SS*.THydrogen-bonded Turntrans-137-0.1-170-70.9-172.3-26.900117P142P142-Q144 PolarHBondContact O-N 2.85Å
145M65.9Low86.3Confident170 Ų17070.3 Ų70.384%0.83741%0.405SS*.THydrogen-bonded Turntrans-128.79.5-169.2-67-65.4-69.900115.5P142P142-M145 HydrophobicContact CG-CB 4.45Å
146G76.9Confident86.5Confident47 Ų4769.3 Ų69.349%0.48540%0.398SS..  trans81.4179.9-174.300000112.7P142 H148P142-G146 WeakPolarHBondContact CD-O 3.25Å; P142-G146 VanDerWaalsContact CG-O 3.23Å; P142-G146 WeakPolarHBondContact CG-O 3.47Å; G146-H148 PolarHBondContact O-N 2.69Å
147Q83Confident86.7Confident133 Ų13365.9 Ų65.962%0.62137%0.366SS*.  trans-71.4124-176.9-170.4178.222.400110.6C139 L141C139-Q147 HydrophobicContact CB-CG 3.68Å; L141-Q147 HydrophobicContact CD2-CB 3.99Å; L141-Q147 HydrophobicContact CD2-CG 4.18Å
148H87.9Confident87Confident99 Ų9963.5 Ų63.546%0.45835%0.347SS..EExtended strand (participates in β ladder)trans-111.1118.6177-169.1-138.8000109.3C139 I140 P142 G146 C173C139-H148 CarbonylContact C-O 3.59Å; C139-H148 WeakPolarHBondContact CA-O 3.21Å; I140-H148 HydrophobicContact CG1-CB 4.35Å; I140-H148 PolarHBondContact N-O 3.26Å; I140-H148 PolarHBondContact O-N 3.27Å; P142-H148 HydrophobicContact CG-CB 4.22Å; G146-H148 PolarHBondContact O-N 2.69Å; H148-C173 PolarHBondContact CE1-SG 2.8Å; H148-C173 PolarHBondContact ND1-SG 2.92Å
149C92.8Very high87.3Confident59 Ų5961.5 Ų61.540%0.39933%0.333SS..EExtended strand (participates in β ladder)trans-116.9129.2-173.7-56.60000110.6A137 S138 C139A137-C149 HydrophobicContact CB-CB 4.15Å; S138-C149 WeakPolarHBondContact O-CA 3.46Å; C139-C149 HydrophobicContact CB-CB 4.04Å; C139-C149 WeakPolarHBondContact CB-SG 3.46Å; C139-C149 WeakPolarHBondContact SG-CB 3.04Å; C139-C149 CovalentContact SG-SG 2.04Å; C139-C149 PolarHBondContact SG-SG 2.92Å
150C95.4Very high87.7Confident27 Ų2761.6 Ų61.618%0.18233%0.329CS..EExtended strand (participates in β ladder)trans-129.4145.7-179.3-69.10000110.8A137 S138 P172 C173A137-C150 VanDerWaalsContact CA-O 3.3Å; A137-C150 WeakPolarHBondContact CA-O 3.36Å; S138-C150 PolarHBondContact N-O 3.06Å; S138-C150 PolarHBondContact O-N 3.48Å; C150-P172 HydrophobicContact CB-CB 4.39Å; C150-P172 VanDerWaalsContact CB-O 3.22Å; C150-P172 WeakPolarHBondContact CB-O 3.24Å; C150-C173 VanDerWaalsContact CB-CA 3.49Å; C150-C173 HydrophobicContact CB-CB 3.82Å; C150-C173 WeakPolarHBondContact CB-SG 3.38Å; C150-C173 WeakPolarHBondContact SG-CA 3.21Å; C150-C173 WeakPolarHBondContact SG-CB 3.3Å; C150-C173 CovalentContact SG-SG 2.03Å; C150-C173 PolarHBondContact SG-SG 2.92Å
151L96.2Very high88.2Confident66 Ų6659.7 Ų59.735%0.34632%0.319SS..  trans-90.8148.5-174-70.4156.5000111.2W130 K132 R134 S135 A137W130-L151 HydrophobicContact CH2-CB 4.43Å; W130-L151 HydrophobicContact CZ2-CB 4.5Å; W130-L151 WeakPolarHBondContact CZ2-O 3.41Å; K132-L151 WeakPolarHBondContact CE-O 3.49Å; K132-L151 PolarHBondContact NZ-O 3.12Å; R134-L151 VanDerWaalsContact NH2-CD1 3.27Å; S135-L151 WeakPolarHBondContact O-CD2 3.38Å; A137-L151 HydrophobicContact CB-CD2 3.78Å; A137-L151 HydrophobicContact CB-CG 4.12Å
152G97.7Very high89Confident3 Ų355.3 Ų55.33%0.03130%0.297CS..  trans77.9161.8166.600000116.3K132 N133 S135 Y177K132-G152 WeakPolarHBondContact CD-O 3.44Å; K132-G152 WeakPolarHBondContact CE-O 3.44Å; K132-G152 PolarHBondContact NZ-O 2.87Å; N133-G152 WeakPolarHBondContact O-CA 3.35Å; N133-G152 WeakPolarHBondContact OD1-CA 3.4Å; S135-G152 PolarHBondContact O-N 3.49Å; S135-G152 VanDerWaalsContact O-N 3.12Å; S135-G152 WeakPolarHBondContact OG-CA 3.25Å; G152-Y177 WeakPolarHBondContact O-CD1 3.45Å
153V98.4Very high90.4Very high2 Ų255.9 Ų55.91%0.01229%0.292CS..  trans-124.5143.8179.2169.40000110K132 N133 L155 N158 Y177 E185K132-V153 WeakPolarHBondContact CA-O 3.37Å; K132-V153 VanDerWaalsContact CB-O 3.27Å; K132-V153 WeakPolarHBondContact CB-O 3.22Å; N133-V153 PolarHBondContact N-O 2.56Å; N133-V153 PolarHBondContact OD1-N 3.41Å; N133-V153 PolarHBondContact OD1-O 2.77Å; V153-L155 PolarHBondContact O-N 3.27Å; V153-N158 HydrophobicContact CG1-CB 4.07Å; V153-Y177 HydrophobicContact CB-CD1 4.47Å; V153-Y177 HydrophobicContact CG2-CD1 3.7Å; V153-Y177 HydrophobicContact CG2-CE1 3.65Å; V153-E185 HydrophobicContact CB-CG 3.61Å; V153-E185 HydrophobicContact CG1-CG 3.56Å; V153-E185 HydrophobicContact CG2-CG 4.02Å; V153-E185 WeakPolarHBondContact CG2-OE1 3.4Å; V153-E185 WeakPolarHBondContact CG2-OE2 3.3Å
154D98.6Very high92.1Very high0 Ų048.9 Ų48.90%026%0.263CS..  trans-73100.9166.7-172.4-10.2000109H69 R131 K132 N156 R157 N158 Y177H69-D154 IonicContact CD2-OD1 2.6Å; H69-D154 PolarHBondContact CD2-OD1 3.35Å; H69-D154 IonicContact NE2-OD1 2.95Å; H69-D154 PolarHBondContact NE2-OD1 3Å; H69-D154 VanDerWaalsContact NE2-OD1 3.1Å; R131-D154 IonicContact CZ-OD1 3.52Å; R131-D154 IonicContact CZ-OD2 3.35Å; R131-D154 IonicContact NE-OD1 2.84Å; R131-D154 IonicContact NE-OD2 2.79Å; R131-D154 PolarHBondContact NE-OD2 3.12Å; R131-D154 IonicContact NH2-OD1 2.68Å; R131-D154 IonicContact NH2-OD2 3.15Å; R131-D154 PolarHBondContact NH2-OD2 3.28Å; K132-D154 HydrophobicContact CG-CB 4.42Å; D154-N156 PolarHBondContact O-N 2.93Å; D154-N156 PolarHBondContact OD1-N 2.71Å; D154-R157 HydrophobicContact CB-CB 4.18Å; D154-R157 HydrophobicContact CB-CG 3.96Å; D154-R157 WeakPolarHBondContact O-CB 3.35Å; D154-R157 PolarHBondContact O-N 3.48Å; D154-R157 WeakPolarHBondContact OD2-CG 3.31Å; D154-N158 PolarHBondContact O-N 2.9Å; D154-Y177 WeakPolarHBondContact CB-O 3.42Å; D154-Y177 PolarHBondContact N-O 2.79Å
155L98.4Very high93.7Very high0 Ų046.5 Ų46.50%025%0.253CS..G310 helixtrans-59.6-32.9-177.2-64178.8000112I68 V111 N112 N133 V153 R157 N158 F159 E185 E187 T188I68-L155 HydrophobicContact CD1-CB 3.89Å; I68-L155 HydrophobicContact CG1-CB 3.51Å; I68-L155 HydrophobicContact CG1-CD1 4.18Å; V111-L155 HydrophobicContact CG1-CD1 4.15Å; N112-L155 HydrophobicContact CB-CD1 3.78Å; N133-L155 HydrophobicContact CB-CD1 4.21Å; N133-L155 HydrophobicContact CB-CD2 4.29Å; N133-L155 HydrophobicContact CB-CG 4.22Å; V153-L155 PolarHBondContact O-N 3.27Å; L155-R157 PolarHBondContact O-N 3.39Å; L155-R157 VanDerWaalsContact O-N 3.15Å; L155-N158 WeakPolarHBondContact O-CB 3.36Å; L155-N158 PolarHBondContact O-N 2.93Å; L155-N158 VanDerWaalsContact O-N 3.09Å; L155-F159 WeakPolarHBondContact O-CD2 3.45Å; L155-F159 VanDerWaalsContact O-CE2 3.3Å; L155-F159 WeakPolarHBondContact O-CE2 3.4Å; L155-E185 HydrophobicContact CD2-CB 3.52Å; L155-E185 HydrophobicContact CD2-CG 3.71Å; L155-E187 HydrophobicContact CD1-CB 3.87Å; L155-E187 HydrophobicContact CD1-CG 4.06Å; L155-E187 HydrophobicContact CD2-CB 4.19Å; L155-T188 HydrophobicContact CB-CG2 3.98Å; L155-T188 HydrophobicContact CD2-CG2 3.83Å; L155-T188 HydrophobicContact CG-CG2 4.47Å
156N98.3Very high95.2Very high7 Ų741.2 Ų41.24%0.03723%0.229CC..G310 helixtrans-83.221.9175.6-15832.7000113.1I68 H69 D154 G266 G267 S268I68-N156 HydrophobicContact CD1-CB 4.06Å; H69-N156 VanDerWaalsContact NE2-CB 3.31Å; H69-N156 WeakPolarHBondContact NE2-CB 3.35Å; D154-N156 PolarHBondContact O-N 2.93Å; D154-N156 PolarHBondContact OD1-N 2.71Å; N156-G266 CarbonylContact C-O 3.42Å; N156-G267 VanDerWaalsContact OD1-CA 3.24Å; N156-G267 WeakPolarHBondContact OD1-CA 3.2Å; N156-S268 PolarHBondContact OD1-N 3.18Å
157R98.3Very high96.1Very high12 Ų1240.2 Ų40.25%0.04522%0.219CC..G310 helixtrans-1260.5163.7-61.5-65.9-179-88.4-1.6111.7D154 L155 W163 G167 H178 S265 G266D154-R157 HydrophobicContact CB-CB 4.18Å; D154-R157 HydrophobicContact CB-CG 3.96Å; D154-R157 WeakPolarHBondContact O-CB 3.35Å; D154-R157 PolarHBondContact O-N 3.48Å; D154-R157 WeakPolarHBondContact OD2-CG 3.31Å; L155-R157 PolarHBondContact O-N 3.39Å; L155-R157 VanDerWaalsContact O-N 3.15Å; R157-W163 PolarHBondContact O-NE1 3.43Å; R157-G167 PolarHBondContact NE-O 3.48Å; R157-H178 HydrophobicContact CB-CB 3.68Å; R157-H178 WeakPolarHBondContact O-CB 3.47Å; R157-S265 WeakPolarHBondContact CD-O 3.1Å; R157-G266 CarbonylContact C-O 3.51Å; R157-G266 VanDerWaalsContact C-O 3.23Å; R157-G266 WeakPolarHBondContact CA-O 3.33Å; R157-G266 PolarHBondContact N-O 3.41Å
158N98.4Very high96.7Very high0 Ų035.2 Ų35.20%020%0.204CC..  trans-102.74-168.4-167.8-111.3000113.7V153 D154 L155 H178 G181 P182 F183 S184 E185 T188 G266V153-N158 HydrophobicContact CG1-CB 4.07Å; D154-N158 PolarHBondContact O-N 2.9Å; L155-N158 WeakPolarHBondContact O-CB 3.36Å; L155-N158 PolarHBondContact O-N 2.93Å; L155-N158 VanDerWaalsContact O-N 3.09Å; N158-H178 PolarHBondContact ND2-O 3.44Å; N158-G181 PolarHBondContact ND2-O 2.75Å; N158-P182 CarbonylContact O-C 3.57Å; N158-P182 WeakPolarHBondContact O-CA 3.45Å; N158-F183 PolarHBondContact O-N 3.11Å; N158-F183 WeakPolarHBondContact OD1-CA 3.38Å; N158-F183 PolarHBondContact OD1-N 3.01Å; N158-S184 PolarHBondContact ND2-OG 3.19Å; N158-S184 PolarHBondContact OD1-N 3.41Å; N158-E185 PolarHBondContact OD1-N 2.85Å; N158-T188 HydrophobicContact CB-CG2 3.92Å; N158-T188 PolarHBondContact OD1-OG1 3.18Å; N158-G266 PolarHBondContact N-O 3.43Å
159F98.7Very high97.1Very high0 Ų031.9 Ų31.90%019%0.191CC..SBendtrans-85.3151177-68.4-106.3000112.1I68 L155 F161 F183 T188 I191 G266 W271I68-F159 HydrophobicContact CD1-CE2 3.95Å; I68-F159 HydrophobicContact CD1-CZ 4.45Å; L155-F159 WeakPolarHBondContact O-CD2 3.45Å; L155-F159 VanDerWaalsContact O-CE2 3.3Å; L155-F159 WeakPolarHBondContact O-CE2 3.4Å; F159-F161 VanDerWaalsContact C-N 3.25Å; F159-F161 PolarHBondContact O-N 3.22Å; F159-F183 HydrophobicContact CB-CE1 4.11Å; F159-F183 HydrophobicContact CB-CZ 4.39Å; F159-F183 AromaticContact CD1-CE1 3.58Å; F159-F183 HydrophobicContact CD1-CE1 3.58Å; F159-F183 HydrophobicContact CD1-CZ 4.32Å; F159-F183 HydrophobicContact CE1-CE1 4.25Å; F159-F183 HydrophobicContact CG-CE1 4.05Å; F159-T188 HydrophobicContact CD2-CG2 4.01Å; F159-T188 HydrophobicContact CE2-CG2 3.45Å; F159-T188 VanDerWaalsContact CE2-CG2 3.45Å; F159-T188 HydrophobicContact CZ-CG2 3.83Å; F159-I191 HydrophobicContact CE1-CB 4.48Å; F159-I191 HydrophobicContact CE1-CG2 4.12Å; F159-I191 HydrophobicContact CZ-CD1 4.26Å; F159-G266 WeakPolarHBondContact CB-O 3.15Å; F159-G266 PolarHBondContact N-O 3.43Å; F159-G266 VanDerWaalsContact O-CA 3.29Å; F159-G266 WeakPolarHBondContact O-CA 3.27Å; F159-W271 HydrophobicContact CB-CB 3.73Å; F159-W271 HydrophobicContact CB-CG 4.06Å; F159-W271 HydrophobicContact CD1-CB 4.16Å; F159-W271 AromaticContact CD1-CD2 3.84Å; F159-W271 HydrophobicContact CD1-CD2 3.84Å; F159-W271 AromaticContact CD1-CE3 3.73Å; F159-W271 HydrophobicContact CD1-CE3 3.73Å; F159-W271 HydrophobicContact CD1-CG 4.01Å; F159-W271 HydrophobicContact CD1-CZ3 4.46Å; F159-W271 HydrophobicContact CE1-CE3 4.08Å; F159-W271 HydrophobicContact CE1-CZ3 4.44Å; F159-W271 HydrophobicContact CG-CB 4.32Å
160D98Very high97.2Very high59 Ų5935 Ų3532%0.31620%0.204SC..SBendtrans-72.969.7177-179.840.3000113P182 F183 K275D160-P182 HydrophobicContact CB-CB 3.77Å; D160-P182 HydrophobicContact CB-CG 4.41Å; D160-F183 HydrophobicContact CB-CD2 4.08Å; D160-F183 HydrophobicContact CB-CE2 3.26Å; D160-F183 HydrophobicContact CB-CZ 3.85Å; D160-F183 VanDerWaalsContact N-CZ 3.3Å; D160-K275 VanDerWaalsContact O-CE 3.23Å; D160-K275 WeakPolarHBondContact O-CE 3.45Å; D160-K275 WeakPolarHBondContact O-CG 3.49Å; D160-K275 IonicContact OD1-NZ 3.68Å; D160-K275 IonicContact OD2-NZ 3.41Å; D160-K275 PolarHBondContact OD2-NZ 3.18Å
161F97.6Very high97.2Very high13 Ų1336.3 Ų36.36%0.05721%0.209CC..SBendtrans-142.4108.8169-179.7-96.7000110.3F159 W163 Y219 H221 G266 D270 W271 A274F159-F161 VanDerWaalsContact C-N 3.25Å; F159-F161 PolarHBondContact O-N 3.22Å; F161-W163 PolarHBondContact O-N 2.82Å; F161-Y219 HydrophobicContact CE1-CD1 4Å; F161-Y219 HydrophobicContact CE2-CD1 4.02Å; F161-Y219 AromaticContact CE2-CE1 3.95Å; F161-Y219 HydrophobicContact CE2-CE1 3.95Å; F161-Y219 AromaticContact CZ-CD1 3.38Å; F161-Y219 HydrophobicContact CZ-CD1 3.38Å; F161-Y219 AromaticContact CZ-CE1 3.8Å; F161-Y219 HydrophobicContact CZ-CE1 3.8Å; F161-Y219 AromaticContact CZ-CG 3.99Å; F161-Y219 HydrophobicContact CZ-CG 3.99Å; F161-H221 HydrophobicContact CD1-CB 4.47Å; F161-H221 HydrophobicContact CE1-CB 3.84Å; F161-H221 AromaticContact CE1-CG 3.71Å; F161-H221 AromaticContact CE1-ND1 3.29Å; F161-H221 VanDerWaalsContact CE1-ND1 3.29Å; F161-H221 WeakPolarHBondContact CE1-ND1 3.44Å; F161-H221 AromaticContact CZ-CE1 3.88Å; F161-H221 AromaticContact CZ-ND1 3.45Å; F161-H221 WeakPolarHBondContact CZ-ND1 3.45Å; F161-G266 PolarHBondContact O-N 3.01Å; F161-D270 HydrophobicContact CB-CB 4.43Å; F161-D270 HydrophobicContact CD1-CB 3.36Å; F161-D270 HydrophobicContact CE1-CB 3.58Å; F161-D270 WeakPolarHBondContact CE1-OD2 3.24Å; F161-D270 HydrophobicContact CG-CB 3.86Å; F161-D270 HydrophobicContact CZ-CB 4.28Å; F161-W271 HydrophobicContact CB-CB 4.14Å; F161-A274 HydrophobicContact CD2-CB 3.53Å; F161-A274 HydrophobicContact CE2-CB 3.36Å; F161-A274 HydrophobicContact CZ-CB 4.45Å
162N97.4Very high97.1Very high49 Ų4933.3 Ų33.326%0.26219%0.194SC..SBendtrans4834.1-173.8-71.958.7000111.8G164 E165 H221 S265N162-G164 PolarHBondContact O-N 3.44Å; N162-E165 HydrophobicContact CB-CB 4.49Å; N162-E165 HydrophobicContact CB-CG 4.3Å; N162-E165 WeakPolarHBondContact CB-OE2 3.38Å; N162-E165 PolarHBondContact ND2-OE1 2.86Å; N162-E165 PolarHBondContact ND2-OE2 3.23Å; N162-E165 VanDerWaalsContact O-CB 3.26Å; N162-E165 WeakPolarHBondContact O-CB 3.45Å; N162-E165 VanDerWaalsContact O-CG 3.29Å; N162-E165 WeakPolarHBondContact O-CG 3.16Å; N162-E165 PolarHBondContact O-N 3.16Å; N162-H221 HydrophobicContact CB-CB 4.21Å; N162-S265 WeakPolarHBondContact O-CB 3.34Å; N162-S265 PolarHBondContact O-OG 3.32Å
163W97.8Very high97Very high63 Ų6335 Ų3524%0.23920%0.204CC..THydrogen-bonded Turntrans-55.8130.1-165.5179.985.8000111.3R157 F161 E165 H178 G179 G181 P182R157-W163 PolarHBondContact O-NE1 3.43Å; F161-W163 PolarHBondContact O-N 2.82Å; W163-E165 PolarHBondContact O-N 3.16Å; W163-H178 AromaticContact CE2-CG 3.96Å; W163-H178 AromaticContact CH2-CE1 3.94Å; W163-H178 AromaticContact CH2-NE2 3.78Å; W163-H178 HydrophobicContact CZ2-CB 4.28Å; W163-H178 AromaticContact CZ2-CD2 3.63Å; W163-H178 AromaticContact CZ2-CE1 3.98Å; W163-H178 AromaticContact CZ2-CG 3.69Å; W163-H178 AromaticContact CZ2-ND1 3.94Å; W163-H178 AromaticContact CZ2-NE2 3.82Å; W163-H178 PolarHBondContact NE1-O 2.98Å; W163-H178 VanDerWaalsContact NE1-O 3.16Å; W163-G179 WeakPolarHBondContact CZ2-O 3.13Å; W163-G181 VanDerWaalsContact CE2-C 3.47Å; W163-G181 VanDerWaalsContact CH2-CA 3.41Å; W163-G181 VanDerWaalsContact CZ2-C 3.48Å; W163-P182 HydrophobicContact CB-CB 4.27Å; W163-P182 HydrophobicContact CD2-CB 4.45Å; W163-P182 HydrophobicContact CG-CB 3.99Å; W163-P182 HydrophobicContact CG-CG 4.48Å
164G95.6Very high96.9Very high34 Ų3439.6 Ų39.635%0.35123%0.226SC..THydrogen-bonded Turntrans698.3-179.300000117.1N162 H178N162-G164 PolarHBondContact O-N 3.44Å; G164-H178 VanDerWaalsContact CA-CE1 3.43Å; G164-H178 WeakPolarHBondContact CA-CE1 3.29Å; G164-H178 WeakPolarHBondContact CA-ND1 3.39Å
165E97Very high96.8Very high134 Ų13442.9 Ų42.963%0.62624%0.241SC*.SBendtrans-76.4-44.2177.8-69.6-179.5-167.200113.4N162 W163N162-E165 HydrophobicContact CB-CB 4.49Å; N162-E165 HydrophobicContact CB-CG 4.3Å; N162-E165 WeakPolarHBondContact CB-OE2 3.38Å; N162-E165 PolarHBondContact ND2-OE1 2.86Å; N162-E165 PolarHBondContact ND2-OE2 3.23Å; N162-E165 VanDerWaalsContact O-CB 3.26Å; N162-E165 WeakPolarHBondContact O-CB 3.45Å; N162-E165 VanDerWaalsContact O-CG 3.29Å; N162-E165 WeakPolarHBondContact O-CG 3.16Å; N162-E165 PolarHBondContact O-N 3.16Å; W163-E165 PolarHBondContact O-N 3.16Å
166V97Very high96.8Very high58 Ų5844.7 Ų44.735%0.35225%0.252SS..SBendtrans-152.3151.8-178.568.30000112.1G168 H221 P263 S265V166-G168 PolarHBondContact O-N 2.81Å; V166-G168 VanDerWaalsContact O-N 3.09Å; V166-H221 WeakPolarHBondContact CG1-O 3.24Å; V166-P263 HydrophobicContact CG1-CB 4.06Å; V166-P263 HydrophobicContact CG2-CB 4.12Å; V166-S265 WeakPolarHBondContact O-CB 3.32Å; V166-S265 PolarHBondContact O-N 2.87Å
167G95.3Very high96.8Very high26 Ų2645.3 Ų45.327%0.26825%0.254SS..SBendtrans70.21.5174.300000115.8R157R157-G167 PolarHBondContact NE-O 3.48Å
168G95.5Very high96.7Very high29 Ų2944.9 Ų44.930%0.29925%0.253SS..  trans-111175.6167.500000111.9V166 V176V166-G168 PolarHBondContact O-N 2.81Å; V166-G168 VanDerWaalsContact O-N 3.09Å; G168-V176 CarbonylContact C-O 3.59Å; G168-V176 WeakPolarHBondContact CA-O 3.22Å
169S96.4Very high96.7Very high28 Ų2845 Ų4520%0.19625%0.254CS..BIsolated β-bridgetrans-133.9148.1178-176.20000112.2D171 V176 Y177 H178S169-D171 WeakPolarHBondContact OG-CB 3.48Å; S169-D171 PolarHBondContact OG-N 2.95Å; S169-V176 PolarHBondContact N-O 3.45Å; S169-Y177 WeakPolarHBondContact O-CA 3.29Å; S169-Y177 VanDerWaalsContact O-CD2 3.26Å; S169-Y177 WeakPolarHBondContact O-CD2 3.24Å; S169-H178 PolarHBondContact O-CD2 3.15Å; S169-H178 PolarHBondContact O-N 2.98Å; S169-H178 PolarHBondContact O-NE2 2.65Å
170N94.7Very high96.6Very high124 Ų12449.9 Ų49.966%0.66329%0.288SS*.SBendtrans-86.2-9.1167.5-69.5-58.3000112.9P172 H178N170-P172 WeakPolarHBondContact O-CD 3.47Å; N170-H178 PolarHBondContact OD1-CE1 3.49Å; N170-H178 PolarHBondContact OD1-NE2 3.42Å
171D95Very high96.6Very high55 Ų5547.8 Ų47.829%0.29428%0.28SS..  trans-82.6116.5175.6-174.5-21.9000109.5I140 S169 C173 E174 Y177I140-D171 WeakPolarHBondContact CD1-OD1 3.39Å; S169-D171 WeakPolarHBondContact OG-CB 3.48Å; S169-D171 PolarHBondContact OG-N 2.95Å; D171-C173 PolarHBondContact O-N 2.75Å; D171-C173 VanDerWaalsContact O-N 3.13Å; D171-C173 VanDerWaalsContact OD1-CB 3.31Å; D171-C173 WeakPolarHBondContact OD1-CB 3.44Å; D171-C173 PolarHBondContact OD1-N 2.79Å; D171-E174 HydrophobicContact CB-CB 4.45Å; D171-E174 HydrophobicContact CB-CG 3.85Å; D171-E174 WeakPolarHBondContact O-CB 3.28Å; D171-E174 PolarHBondContact O-N 2.86Å; D171-E174 VanDerWaalsContact O-N 3.12Å; D171-Y177 WeakPolarHBondContact O-CB 3.42Å; D171-Y177 WeakPolarHBondContact O-CD2 3.42Å
172P95.6Very high96.6Very high3 Ų349.7 Ų49.72%0.01929%0.294CS..THydrogen-bonded Turntrans-64-15.8-179.429-36.3000114.2K132 S138 I140 C150 N170 Y177K132-P172 PolarHBondContact NZ-O 2.93Å; S138-P172 WeakPolarHBondContact O-CG 3.49Å; I140-P172 HydrophobicContact CG1-CG 4.23Å; I140-P172 HydrophobicContact CG2-CG 3.81Å; C150-P172 HydrophobicContact CB-CB 4.39Å; C150-P172 VanDerWaalsContact CB-O 3.22Å; C150-P172 WeakPolarHBondContact CB-O 3.24Å; N170-P172 WeakPolarHBondContact O-CD 3.47Å; P172-Y177 VanDerWaalsContact CA-CG 3.49Å; P172-Y177 HydrophobicContact CB-CD1 4.17Å; P172-Y177 HydrophobicContact CB-CD2 4.33Å; P172-Y177 HydrophobicContact CB-CE1 4.05Å; P172-Y177 HydrophobicContact CB-CE2 4.24Å; P172-Y177 HydrophobicContact CB-CG 4.32Å
173C94.5Very high96.6Very high38 Ų3848.9 Ų48.926%0.25729%0.288SS..THydrogen-bonded Turntrans-87.9-10178.4-60.60000113.7H148 C150 D171H148-C173 PolarHBondContact CE1-SG 2.8Å; H148-C173 PolarHBondContact ND1-SG 2.92Å; C150-C173 VanDerWaalsContact CB-CA 3.49Å; C150-C173 HydrophobicContact CB-CB 3.82Å; C150-C173 WeakPolarHBondContact CB-SG 3.38Å; C150-C173 WeakPolarHBondContact SG-CA 3.21Å; C150-C173 WeakPolarHBondContact SG-CB 3.3Å; C150-C173 CovalentContact SG-SG 2.03Å; C150-C173 PolarHBondContact SG-SG 2.92Å; D171-C173 PolarHBondContact O-N 2.75Å; D171-C173 VanDerWaalsContact O-N 3.13Å; D171-C173 VanDerWaalsContact OD1-CB 3.31Å; D171-C173 WeakPolarHBondContact OD1-CB 3.44Å; D171-C173 PolarHBondContact OD1-N 2.79Å
174E96.2Very high96.6Very high99 Ų9947.8 Ų47.846%0.46329%0.29SS..SBendtrans-77.4147.2172.5-71.8-72.4174.200111.2D171 V176 Y177D171-E174 HydrophobicContact CB-CB 4.45Å; D171-E174 HydrophobicContact CB-CG 3.85Å; D171-E174 WeakPolarHBondContact O-CB 3.28Å; D171-E174 PolarHBondContact O-N 2.86Å; D171-E174 VanDerWaalsContact O-N 3.12Å; E174-V176 PolarHBondContact O-N 3.33Å; E174-Y177 WeakPolarHBondContact O-CB 3.43Å; E174-Y177 PolarHBondContact O-N 3.31Å
175E96.9Very high96.6Very high69 Ų6946.9 Ų46.932%0.32228%0.277SS..THydrogen-bonded Turntrans-64.5-25.4178.5-73.3-72.5118.200112.4R71 R131 K132R71-E175 IonicContact NH1-OE2 2.79Å; R71-E175 PolarHBondContact NH1-OE2 3.43Å; R131-E175 WeakPolarHBondContact CB-OE2 3.47Å; R131-E175 WeakPolarHBondContact CD-O 3.42Å; R131-E175 PolarHBondContact NE-O 2.94Å; K132-E175 WeakPolarHBondContact CG-O 3.46Å
176V97.8Very high96.3Very high38 Ų3843.7 Ų43.723%0.2327%0.268CS..THydrogen-bonded Turntrans-10221.6-179.7-61.80000112.8G168 S169 E174 H178G168-V176 CarbonylContact C-O 3.59Å; G168-V176 WeakPolarHBondContact CA-O 3.22Å; S169-V176 PolarHBondContact N-O 3.45Å; E174-V176 PolarHBondContact O-N 3.33Å; V176-H178 PolarHBondContact O-N 3.01Å
177Y98.2Very high96.1Very high20 Ų2041.2 Ų41.28%0.07825%0.252CS..BIsolated β-bridgetrans-58.1119.3175.7176.8-123.2000110.8G152 V153 D154 S169 D171 P172 E174 G179G152-Y177 WeakPolarHBondContact O-CD1 3.45Å; V153-Y177 HydrophobicContact CB-CD1 4.47Å; V153-Y177 HydrophobicContact CG2-CD1 3.7Å; V153-Y177 HydrophobicContact CG2-CE1 3.65Å; D154-Y177 WeakPolarHBondContact CB-O 3.42Å; D154-Y177 PolarHBondContact N-O 2.79Å; S169-Y177 WeakPolarHBondContact O-CA 3.29Å; S169-Y177 VanDerWaalsContact O-CD2 3.26Å; S169-Y177 WeakPolarHBondContact O-CD2 3.24Å; D171-Y177 WeakPolarHBondContact O-CB 3.42Å; D171-Y177 WeakPolarHBondContact O-CD2 3.42Å; P172-Y177 VanDerWaalsContact CA-CG 3.49Å; P172-Y177 HydrophobicContact CB-CD1 4.17Å; P172-Y177 HydrophobicContact CB-CD2 4.33Å; P172-Y177 HydrophobicContact CB-CE1 4.05Å; P172-Y177 HydrophobicContact CB-CE2 4.24Å; P172-Y177 HydrophobicContact CB-CG 4.32Å; E174-Y177 WeakPolarHBondContact O-CB 3.43Å; E174-Y177 PolarHBondContact O-N 3.31Å; Y177-G179 VanDerWaalsContact C-N 3.35Å; Y177-G179 PolarHBondContact O-N 3.07Å
178H97.9Very high96.1Very high4 Ų440 Ų402%0.01924%0.24CC..  trans-87.53.2-168.759.6-174.5000115.7R157 N158 W163 G164 S169 N170 V176R157-H178 HydrophobicContact CB-CB 3.68Å; R157-H178 WeakPolarHBondContact O-CB 3.47Å; N158-H178 PolarHBondContact ND2-O 3.44Å; W163-H178 AromaticContact CE2-CG 3.96Å; W163-H178 AromaticContact CH2-CE1 3.94Å; W163-H178 AromaticContact CH2-NE2 3.78Å; W163-H178 HydrophobicContact CZ2-CB 4.28Å; W163-H178 AromaticContact CZ2-CD2 3.63Å; W163-H178 AromaticContact CZ2-CE1 3.98Å; W163-H178 AromaticContact CZ2-CG 3.69Å; W163-H178 AromaticContact CZ2-ND1 3.94Å; W163-H178 AromaticContact CZ2-NE2 3.82Å; W163-H178 PolarHBondContact NE1-O 2.98Å; W163-H178 VanDerWaalsContact NE1-O 3.16Å; G164-H178 VanDerWaalsContact CA-CE1 3.43Å; G164-H178 WeakPolarHBondContact CA-CE1 3.29Å; G164-H178 WeakPolarHBondContact CA-ND1 3.39Å; S169-H178 PolarHBondContact O-CD2 3.15Å; S169-H178 PolarHBondContact O-N 2.98Å; S169-H178 PolarHBondContact O-NE2 2.65Å; N170-H178 PolarHBondContact OD1-CE1 3.49Å; N170-H178 PolarHBondContact OD1-NE2 3.42Å; V176-H178 PolarHBondContact O-N 3.01Å
179G97.6Very high96Very high3 Ų339.8 Ų39.83%0.03123%0.232CC..  trans87.9-176-175.600000113.6W163 Y177 G181W163-G179 WeakPolarHBondContact CZ2-O 3.13Å; Y177-G179 VanDerWaalsContact C-N 3.35Å; Y177-G179 PolarHBondContact O-N 3.07Å; G179-G181 VanDerWaalsContact C-N 3.33Å
180S96Very high95.7Very high101 Ų10138.7 Ų38.771%0.70622%0.224SC*.SBendtrans-81.9-14.7-178.757.80000113.5S184S180-S184 WeakPolarHBondContact OG-CB 3.26Å
181G97.7Very high95.7Very high15 Ų1532.8 Ų32.816%0.15519%0.193CC..SBendtrans-176.6169.7-179.700000110.3N158 W163 G179 F183 S184N158-G181 PolarHBondContact ND2-O 2.75Å; W163-G181 VanDerWaalsContact CE2-C 3.47Å; W163-G181 VanDerWaalsContact CH2-CA 3.41Å; W163-G181 VanDerWaalsContact CZ2-C 3.48Å; G179-G181 VanDerWaalsContact C-N 3.33Å; G181-F183 PolarHBondContact O-N 3.49Å; G181-S184 WeakPolarHBondContact O-CB 3.03Å; G181-S184 PolarHBondContact O-N 3.1Å; G181-S184 PolarHBondContact O-OG 2.97Å
182P98.1Very high95.6Very high53 Ų5333.8 Ų33.834%0.34419%0.192SC..THydrogen-bonded Turntrans-61.2136171.727.7-33.7000110N158 D160 W163 S184N158-P182 CarbonylContact O-C 3.57Å; N158-P182 WeakPolarHBondContact O-CA 3.45Å; D160-P182 HydrophobicContact CB-CB 3.77Å; D160-P182 HydrophobicContact CB-CG 4.41Å; W163-P182 HydrophobicContact CB-CB 4.27Å; W163-P182 HydrophobicContact CD2-CB 4.45Å; W163-P182 HydrophobicContact CG-CB 3.99Å; W163-P182 HydrophobicContact CG-CG 4.48Å; P182-S184 PolarHBondContact O-N 3.36Å
183F97.4Very high95.5Very high33 Ų3339 Ų3915%0.14521%0.212CC..THydrogen-bonded Turntrans57.732.2-176.6-47.3-67.9000113.7N158 F159 D160 G181 E185 D189 R192 W271N158-F183 PolarHBondContact O-N 3.11Å; N158-F183 WeakPolarHBondContact OD1-CA 3.38Å; N158-F183 PolarHBondContact OD1-N 3.01Å; F159-F183 HydrophobicContact CB-CE1 4.11Å; F159-F183 HydrophobicContact CB-CZ 4.39Å; F159-F183 AromaticContact CD1-CE1 3.58Å; F159-F183 HydrophobicContact CD1-CE1 3.58Å; F159-F183 HydrophobicContact CD1-CZ 4.32Å; F159-F183 HydrophobicContact CE1-CE1 4.25Å; F159-F183 HydrophobicContact CG-CE1 4.05Å; D160-F183 HydrophobicContact CB-CD2 4.08Å; D160-F183 HydrophobicContact CB-CE2 3.26Å; D160-F183 HydrophobicContact CB-CZ 3.85Å; D160-F183 VanDerWaalsContact N-CZ 3.3Å; G181-F183 PolarHBondContact O-N 3.49Å; F183-E185 PolarHBondContact O-N 2.74Å; F183-D189 HydrophobicContact CB-CB 4.11Å; F183-R192 HydrophobicContact CD1-CB 3.86Å; F183-R192 HydrophobicContact CD1-CG 4.32Å; F183-R192 HydrophobicContact CD2-CG 4.4Å; F183-R192 HydrophobicContact CE1-CB 3.68Å; F183-R192 HydrophobicContact CE1-CG 4Å; F183-R192 HydrophobicContact CE2-CG 4.03Å; F183-R192 HydrophobicContact CG-CB 4.42Å; F183-R192 HydrophobicContact CZ-CB 4.07Å; F183-R192 HydrophobicContact CZ-CG 3.85Å; F183-W271 AromaticContact CZ-CD1 3.69Å; F183-W271 HydrophobicContact CZ-CD2 4.33Å; F183-W271 AromaticContact CZ-CE2 3.83Å; F183-W271 HydrophobicContact CZ-CG 4.28Å; F183-W271 HydrophobicContact CZ-CZ2 4.43Å; F183-W271 AromaticContact CZ-NE1 3.42Å
184S97.1Very high95.3Very high40 Ų4037.6 Ų37.628%0.2820%0.201SC..  trans-66.9-24.7173.866.10000112.5N158 S180 G181 P182N158-S184 PolarHBondContact ND2-OG 3.19Å; N158-S184 PolarHBondContact OD1-N 3.41Å; S180-S184 WeakPolarHBondContact OG-CB 3.26Å; G181-S184 WeakPolarHBondContact O-CB 3.03Å; G181-S184 PolarHBondContact O-N 3.1Å; G181-S184 PolarHBondContact O-OG 2.97Å; P182-S184 PolarHBondContact O-N 3.36Å
185E96.2Very high95.1Very high14 Ų1433 Ų337%0.06518%0.18CC..SBendtrans-94.5142.3-176.3-52.3-51.510400111.5N133 S135 V153 L155 N158 F183 E187 T188 D189N133-E185 PolarHBondContact ND2-OE2 3.38Å; S135-E185 WeakPolarHBondContact CB-OE2 3.3Å; S135-E185 PolarHBondContact OG-OE2 3.42Å; V153-E185 HydrophobicContact CB-CG 3.61Å; V153-E185 HydrophobicContact CG1-CG 3.56Å; V153-E185 HydrophobicContact CG2-CG 4.02Å; V153-E185 WeakPolarHBondContact CG2-OE1 3.4Å; V153-E185 WeakPolarHBondContact CG2-OE2 3.3Å; L155-E185 HydrophobicContact CD2-CB 3.52Å; L155-E185 HydrophobicContact CD2-CG 3.71Å; N158-E185 PolarHBondContact OD1-N 2.85Å; F183-E185 PolarHBondContact O-N 2.74Å; E185-E187 PolarHBondContact O-N 3.24Å; E185-T188 PolarHBondContact O-N 2.82Å; E185-T188 PolarHBondContact O-OG1 2.99Å; E185-T188 VanDerWaalsContact O-OG1 3.07Å; E185-D189 WeakPolarHBondContact O-CB 3.4Å; E185-D189 PolarHBondContact O-N 3.39Å
186P91.9Very high94.9Very high67 Ų6732.4 Ų32.444%0.43518%0.183SC..Hα-helixtrans-61.4-33-178.425.6-33.8000112.4A43 A190A43-P186 HydrophobicContact CB-CB 3.96Å; P186-A190 WeakPolarHBondContact O-CB 3.4Å; P186-A190 PolarHBondContact O-N 2.83Å
187E93.1Very high94.6Very high7 Ų734 Ų343%0.03320%0.196CC..Hα-helixtrans-66-49179.6-58.478.9-172.100112V111 N133 L155 E185 A190 I191V111-E187 HydrophobicContact CG1-CB 4.27Å; V111-E187 WeakPolarHBondContact O-CG 3.21Å; N133-E187 PolarHBondContact ND2-OE2 2.69Å; L155-E187 HydrophobicContact CD1-CB 3.87Å; L155-E187 HydrophobicContact CD1-CG 4.06Å; L155-E187 HydrophobicContact CD2-CB 4.19Å; E185-E187 PolarHBondContact O-N 3.24Å; E187-A190 PolarHBondContact O-N 3.41Å; E187-I191 WeakPolarHBondContact O-CG1 3.32Å; E187-I191 PolarHBondContact O-N 2.87Å
188T95.2Very high94.2Very high0 Ų035 Ų350%020%0.2CC..Hα-helixtrans-70.2-38.2-179.557.20000111.4L155 N158 F159 E185 A190 I191 R192L155-T188 HydrophobicContact CB-CG2 3.98Å; L155-T188 HydrophobicContact CD2-CG2 3.83Å; L155-T188 HydrophobicContact CG-CG2 4.47Å; N158-T188 HydrophobicContact CB-CG2 3.92Å; N158-T188 PolarHBondContact OD1-OG1 3.18Å; F159-T188 HydrophobicContact CD2-CG2 4.01Å; F159-T188 HydrophobicContact CE2-CG2 3.45Å; F159-T188 VanDerWaalsContact CE2-CG2 3.45Å; F159-T188 HydrophobicContact CZ-CG2 3.83Å; E185-T188 PolarHBondContact O-N 2.82Å; E185-T188 PolarHBondContact O-OG1 2.99Å; E185-T188 VanDerWaalsContact O-OG1 3.07Å; T188-A190 VanDerWaalsContact C-N 3.34Å; T188-I191 PolarHBondContact O-N 2.95Å; T188-R192 WeakPolarHBondContact O-CB 3.06Å; T188-R192 PolarHBondContact O-N 3.39Å
189D93.6Very high93.8Very high25 Ų2539.8 Ų39.813%0.13423%0.233CC..Hα-helixtrans-66.4-37.2176.8-170.135.8000112F183 E185 R192 R193F183-D189 HydrophobicContact CB-CB 4.11Å; E185-D189 WeakPolarHBondContact O-CB 3.4Å; E185-D189 PolarHBondContact O-N 3.39Å; D189-R192 WeakPolarHBondContact O-CB 3.37Å; D189-R192 PolarHBondContact O-N 3.18Å; D189-R192 IonicContact OD1-CZ 3.07Å; D189-R192 IonicContact OD1-NE 3.5Å; D189-R192 PolarHBondContact OD1-NE 3.23Å; D189-R192 IonicContact OD1-NH2 3.02Å; D189-R192 PolarHBondContact OD1-NH2 3.39Å; D189-R193 WeakPolarHBondContact O-CB 3.32Å; D189-R193 VanDerWaalsContact O-CG 3.26Å; D189-R193 WeakPolarHBondContact O-CG 3.33Å; D189-R193 PolarHBondContact O-N 3.19Å; D189-R193 IonicContact OD1-NE 3.9Å; D189-R193 IonicContact OD2-CZ 2.75Å; D189-R193 IonicContact OD2-NE 3.42Å; D189-R193 PolarHBondContact OD2-NE 3Å; D189-R193 IonicContact OD2-NH2 3.38Å; D189-R193 PolarHBondContact OD2-NH2 2.71Å
190A89.5Confident93.4Very high4 Ų443.1 Ų43.13%0.03327%0.267CS..Hα-helixtrans-63.9-45.1175.400000112.4I40 A43 M44 P186 E187 T188 R192 R193 F194I40-A190 HydrophobicContact CB-CB 4.42Å; I40-A190 HydrophobicContact CG1-CB 3.85Å; A43-A190 HydrophobicContact CB-CB 3.93Å; M44-A190 HydrophobicContact CE-CB 4.33Å; P186-A190 WeakPolarHBondContact O-CB 3.4Å; P186-A190 PolarHBondContact O-N 2.83Å; E187-A190 PolarHBondContact O-N 3.41Å; T188-A190 VanDerWaalsContact C-N 3.34Å; A190-R192 VanDerWaalsContact C-N 3.34Å; A190-R192 PolarHBondContact O-N 2.96Å; A190-R193 PolarHBondContact O-N 3.26Å; A190-F194 WeakPolarHBondContact O-CB 3.31Å; A190-F194 PolarHBondContact O-N 3.15Å
191I93.4Very high93.2Very high0 Ų041 Ų410%025%0.246CC..Hα-helixtrans-59.1-47.6174.4-67.5171.5000110.2M44 W63 L108 V111 F159 E187 T188 R193 F194 I195 W271M44-I191 HydrophobicContact CE-CD1 4.5Å; M44-I191 HydrophobicContact CE-CG1 4.1Å; W63-I191 HydrophobicContact CH2-CG1 4.18Å; W63-I191 HydrophobicContact CH2-CG2 4.48Å; W63-I191 HydrophobicContact CZ2-CB 4.49Å; W63-I191 HydrophobicContact CZ2-CD1 4.24Å; W63-I191 HydrophobicContact CZ2-CG1 3.88Å; W63-I191 HydrophobicContact CZ2-CG2 4Å; L108-I191 HydrophobicContact CD2-CD1 4.42Å; L108-I191 HydrophobicContact CD2-CG1 4.4Å; V111-I191 HydrophobicContact CG1-CD1 3.73Å; V111-I191 HydrophobicContact CG2-CD1 4.07Å; F159-I191 HydrophobicContact CE1-CB 4.48Å; F159-I191 HydrophobicContact CE1-CG2 4.12Å; F159-I191 HydrophobicContact CZ-CD1 4.26Å; E187-I191 WeakPolarHBondContact O-CG1 3.32Å; E187-I191 PolarHBondContact O-N 2.87Å; T188-I191 PolarHBondContact O-N 2.95Å; I191-R193 PolarHBondContact O-N 2.76Å; I191-F194 PolarHBondContact O-N 2.65Å; I191-I195 HydrophobicContact CG2-CD1 3.76Å; I191-I195 PolarHBondContact O-N 3.06Å; I191-W271 HydrophobicContact CG2-CZ3 4.45Å
192R94.3Very high93.1Very high77 Ų7740.8 Ų40.829%0.29124%0.241SC..Hα-helixtrans-55.3-52.7177.1179-162.869.484.4-5.8111.5F183 T188 D189 A190 F194 S196 W271F183-R192 HydrophobicContact CD1-CB 3.86Å; F183-R192 HydrophobicContact CD1-CG 4.32Å; F183-R192 HydrophobicContact CD2-CG 4.4Å; F183-R192 HydrophobicContact CE1-CB 3.68Å; F183-R192 HydrophobicContact CE1-CG 4Å; F183-R192 HydrophobicContact CE2-CG 4.03Å; F183-R192 HydrophobicContact CG-CB 4.42Å; F183-R192 HydrophobicContact CZ-CB 4.07Å; F183-R192 HydrophobicContact CZ-CG 3.85Å; T188-R192 WeakPolarHBondContact O-CB 3.06Å; T188-R192 PolarHBondContact O-N 3.39Å; D189-R192 WeakPolarHBondContact O-CB 3.37Å; D189-R192 PolarHBondContact O-N 3.18Å; D189-R192 IonicContact OD1-CZ 3.07Å; D189-R192 IonicContact OD1-NE 3.5Å; D189-R192 PolarHBondContact OD1-NE 3.23Å; D189-R192 IonicContact OD1-NH2 3.02Å; D189-R192 PolarHBondContact OD1-NH2 3.39Å; A190-R192 VanDerWaalsContact C-N 3.34Å; A190-R192 PolarHBondContact O-N 2.96Å; R192-F194 VanDerWaalsContact C-N 3.35Å; R192-F194 PolarHBondContact O-N 3.24Å; R192-S196 WeakPolarHBondContact O-CB 3.41Å; R192-S196 PolarHBondContact O-N 2.87Å; R192-S196 PolarHBondContact O-OG 2.85Å; R192-W271 HydrophobicContact CB-CH2 4.42Å; R192-W271 HydrophobicContact CB-CZ2 4.16Å; R192-W271 HydrophobicContact CG-CZ2 3.89Å
193R92.5Very high93.1Very high113 Ų11339.5 Ų39.543%0.42623%0.233SC..Hα-helixtrans-59.6-46.1-178.1-72.7173.4-169.1-171.71.5111.2D39 D189 A190 I191 S196 S197D39-R193 IonicContact OD2-NH1 3.6Å; D39-R193 PolarHBondContact OD2-NH1 3.31Å; D189-R193 WeakPolarHBondContact O-CB 3.32Å; D189-R193 VanDerWaalsContact O-CG 3.26Å; D189-R193 WeakPolarHBondContact O-CG 3.33Å; D189-R193 PolarHBondContact O-N 3.19Å; D189-R193 IonicContact OD1-NE 3.9Å; D189-R193 IonicContact OD2-CZ 2.75Å; D189-R193 IonicContact OD2-NE 3.42Å; D189-R193 PolarHBondContact OD2-NE 3Å; D189-R193 IonicContact OD2-NH2 3.38Å; D189-R193 PolarHBondContact OD2-NH2 2.71Å; A190-R193 PolarHBondContact O-N 3.26Å; I191-R193 PolarHBondContact O-N 2.76Å; R193-S196 PolarHBondContact O-N 2.9Å; R193-S197 WeakPolarHBondContact O-CB 3.45Å; R193-S197 PolarHBondContact O-N 2.87Å; R193-S197 PolarHBondContact O-OG 2.81Å
194F89.8Confident93.1Very high7 Ų738 Ų383%0.03123%0.226CC..Hα-helixtrans-65.8-44.4-176.5-177.9-96.5000113.7Q37 I40 F49 W63 Y106 A190 I191 R192 S197 R198 F202Q37-F194 HydrophobicContact CG-CD2 4.3Å; Q37-F194 HydrophobicContact CG-CE2 3.76Å; I40-F194 HydrophobicContact CD1-CB 3.3Å; I40-F194 HydrophobicContact CD1-CD1 4.05Å; I40-F194 HydrophobicContact CD1-CD2 3.26Å; I40-F194 HydrophobicContact CD1-CE2 4.05Å; I40-F194 HydrophobicContact CD1-CG 3.26Å; I40-F194 HydrophobicContact CG1-CB 4.16Å; F49-F194 HydrophobicContact CE1-CE1 4.44Å; F49-F194 AromaticContact CE1-CE2 3.99Å; F49-F194 HydrophobicContact CE1-CE2 3.99Å; F49-F194 AromaticContact CE1-CZ 3.73Å; F49-F194 HydrophobicContact CE1-CZ 3.73Å; F49-F194 HydrophobicContact CZ-CD1 4.5Å; F49-F194 AromaticContact CZ-CE1 3.67Å; F49-F194 HydrophobicContact CZ-CE1 3.67Å; F49-F194 HydrophobicContact CZ-CE2 4Å; F49-F194 AromaticContact CZ-CZ 3.4Å; F49-F194 HydrophobicContact CZ-CZ 3.4Å; W63-F194 HydrophobicContact CE3-CD1 4.08Å; W63-F194 HydrophobicContact CE3-CE1 4.06Å; W63-F194 HydrophobicContact CH2-CD1 4.41Å; W63-F194 AromaticContact CZ3-CD1 3.48Å; W63-F194 HydrophobicContact CZ3-CD1 3.48Å; W63-F194 VanDerWaalsContact CZ3-CD1 3.48Å; W63-F194 AromaticContact CZ3-CE1 3.65Å; W63-F194 HydrophobicContact CZ3-CE1 3.65Å; W63-F194 HydrophobicContact CZ3-CG 4.48Å; Y106-F194 AromaticContact CD1-CE1 3.96Å; Y106-F194 HydrophobicContact CD1-CE1 3.96Å; Y106-F194 AromaticContact CD1-CZ 3.62Å; Y106-F194 HydrophobicContact CD1-CZ 3.62Å; Y106-F194 HydrophobicContact CE1-CE1 4.31Å; Y106-F194 AromaticContact CE1-CZ 3.66Å; Y106-F194 HydrophobicContact CE1-CZ 3.66Å; Y106-F194 HydrophobicContact CG-CE1 4.1Å; Y106-F194 HydrophobicContact CG-CZ 4.22Å; A190-F194 WeakPolarHBondContact O-CB 3.31Å; A190-F194 PolarHBondContact O-N 3.15Å; I191-F194 PolarHBondContact O-N 2.65Å; R192-F194 VanDerWaalsContact C-N 3.35Å; R192-F194 PolarHBondContact O-N 3.24Å; F194-S197 PolarHBondContact O-OG 3.25Å; F194-R198 PolarHBondContact O-NH1 2.89Å; F194-R198 VanDerWaalsContact O-NH1 3.15Å; F194-F202 HydrophobicContact CD1-CZ 4.12Å; F194-F202 HydrophobicContact CE1-CE2 4.38Å; F194-F202 AromaticContact CE1-CZ 3.66Å; F194-F202 HydrophobicContact CE1-CZ 3.66Å
195I93.5Very high93.2Very high3 Ų336 Ų362%0.01521%0.212CC..Hα-helixtrans-70.1-41.9177-70.5173.3000110.1W63 I191 S197 R198 S199 F202 F205 W271 A276 I278W63-I195 HydrophobicContact CD2-CD1 4.02Å; W63-I195 HydrophobicContact CD2-CG1 4.46Å; W63-I195 HydrophobicContact CE3-CD1 4.28Å; W63-I195 HydrophobicContact CE3-CG1 4.22Å; W63-I195 HydrophobicContact CG-CD1 4.25Å; I191-I195 HydrophobicContact CG2-CD1 3.76Å; I191-I195 PolarHBondContact O-N 3.06Å; I195-S197 PolarHBondContact O-N 3.46Å; I195-R198 CarbonylContact O-C 3.52Å; I195-R198 VanDerWaalsContact O-C 3.29Å; I195-R198 PolarHBondContact O-N 3.34Å; I195-R198 VanDerWaalsContact O-N 3.14Å; I195-S199 PolarHBondContact O-N 2.9Å; I195-F202 HydrophobicContact CB-CD2 4.35Å; I195-F202 HydrophobicContact CB-CE2 4.31Å; I195-F202 HydrophobicContact CG1-CD2 4.24Å; I195-F202 HydrophobicContact CG1-CE2 4.03Å; I195-F202 HydrophobicContact CG1-CZ 4.4Å; I195-F202 HydrophobicContact CG2-CD2 4.04Å; I195-F202 HydrophobicContact CG2-CE2 4.49Å; I195-F205 HydrophobicContact CD1-CD2 3.92Å; I195-F205 HydrophobicContact CD1-CE2 3.74Å; I195-W271 HydrophobicContact CB-CH2 4.03Å; I195-W271 HydrophobicContact CD1-CH2 4.23Å; I195-W271 HydrophobicContact CD1-CZ3 3.91Å; I195-W271 HydrophobicContact CG2-CH2 3.97Å; I195-W271 HydrophobicContact CG2-CZ3 4.43Å; I195-A276 HydrophobicContact CG2-CB 3.82Å; I195-I278 HydrophobicContact CG2-CD1 4Å
196S91.7Very high93.3Very high57 Ų5735.4 Ų35.440%0.39921%0.209SC..Hα-helixtrans-68.5-33.8-178-56.30000112.8R192 R193 R198 S199R192-S196 WeakPolarHBondContact O-CB 3.41Å; R192-S196 PolarHBondContact O-N 2.87Å; R192-S196 PolarHBondContact O-OG 2.85Å; R193-S196 PolarHBondContact O-N 2.9Å; S196-R198 PolarHBondContact O-N 2.85Å; S196-S199 PolarHBondContact O-N 2.84Å
197S91.5Very high93.7Very high70 Ų7032.2 Ų32.249%0.4919%0.188SC..THydrogen-bonded Turntrans-69.3-12.8175.573.20000113.2R193 F194 I195R193-S197 WeakPolarHBondContact O-CB 3.45Å; R193-S197 PolarHBondContact O-N 2.87Å; R193-S197 PolarHBondContact O-OG 2.81Å; F194-S197 PolarHBondContact O-OG 3.25Å; I195-S197 PolarHBondContact O-N 3.46Å
198R90.7Very high93.9Very high43 Ų4331.9 Ų31.916%0.16219%0.187CC..THydrogen-bonded Turntrans-119.433.9178-67.4171.9-17870.75.6111.5F194 I195 S196 G200 E201 F202F194-R198 PolarHBondContact O-NH1 2.89Å; F194-R198 VanDerWaalsContact O-NH1 3.15Å; I195-R198 CarbonylContact O-C 3.52Å; I195-R198 VanDerWaalsContact O-C 3.29Å; I195-R198 PolarHBondContact O-N 3.34Å; I195-R198 VanDerWaalsContact O-N 3.14Å; S196-R198 PolarHBondContact O-N 2.85Å; R198-G200 PolarHBondContact O-N 2.99Å; R198-E201 HydrophobicContact CB-CB 4.06Å; R198-E201 WeakPolarHBondContact CB-OE2 3.16Å; R198-E201 WeakPolarHBondContact CD-OE2 3.1Å; R198-E201 WeakPolarHBondContact CG-OE2 3.49Å; R198-E201 WeakPolarHBondContact O-CB 3.08Å; R198-E201 PolarHBondContact O-N 3.01Å; R198-F202 HydrophobicContact CB-CD2 4.23Å; R198-F202 HydrophobicContact CB-CE2 3.72Å; R198-F202 HydrophobicContact CG-CE2 4.49Å
199S88.2Confident94.1Very high103 Ų10331.9 Ų31.972%0.7219%0.187SC*.THydrogen-bonded Turntrans-52.6127-179.2177.80000111.5I195 S196 E201I195-S199 PolarHBondContact O-N 2.9Å; S196-S199 PolarHBondContact O-N 2.84Å; S199-E201 VanDerWaalsContact C-N 3.34Å
200G89.3Confident94.3Very high73 Ų7330.9 Ų30.975%0.75318%0.182SC*.THydrogen-bonded Turntrans88.5-10.4-177.800000115.2R198R198-G200 PolarHBondContact O-N 2.99Å
201E92.3Very high94.7Very high57 Ų5733.6 Ų33.627%0.26619%0.192SC..THydrogen-bonded Turntrans-78.5-43.1175.8-163.4-166.4125.800111.8S61 Y106 R198 S199 V203S61-E201 PolarHBondContact N-O 3.35Å; S61-E201 WeakPolarHBondContact OG-CG 3.29Å; S61-E201 PolarHBondContact OG-OE1 2.89Å; Y106-E201 VanDerWaalsContact CE2-OE1 3.3Å; Y106-E201 WeakPolarHBondContact CE2-OE1 3.28Å; R198-E201 HydrophobicContact CB-CB 4.06Å; R198-E201 WeakPolarHBondContact CB-OE2 3.16Å; R198-E201 WeakPolarHBondContact CD-OE2 3.1Å; R198-E201 WeakPolarHBondContact CG-OE2 3.49Å; R198-E201 WeakPolarHBondContact O-CB 3.08Å; R198-E201 PolarHBondContact O-N 3.01Å; S199-E201 VanDerWaalsContact C-N 3.34Å; E201-V203 PolarHBondContact O-N 2.96Å
202F95.7Very high94.9Very high11 Ų1134.2 Ų34.25%0.04820%0.196CC..EExtended strand (participates in β ladder)trans-76.4119.1-179.2-67.1-79.2000111.9S61 W63 Y106 F194 I195 R198 I278S61-F202 WeakPolarHBondContact O-CA 3.48Å; W63-F202 HydrophobicContact CB-CD1 3.8Å; W63-F202 HydrophobicContact CB-CE1 3.91Å; W63-F202 HydrophobicContact CE3-CE1 4.19Å; W63-F202 HydrophobicContact CE3-CZ 4.37Å; Y106-F202 AromaticContact CD2-CE1 3.43Å; Y106-F202 HydrophobicContact CD2-CE1 3.43Å; Y106-F202 VanDerWaalsContact CD2-CE1 3.43Å; Y106-F202 AromaticContact CD2-CZ 3.72Å; Y106-F202 HydrophobicContact CD2-CZ 3.72Å; Y106-F202 HydrophobicContact CE2-CE1 4.12Å; Y106-F202 HydrophobicContact CE2-CZ 4.08Å; Y106-F202 HydrophobicContact CG-CE1 4.05Å; Y106-F202 HydrophobicContact CG-CZ 4.24Å; F194-F202 HydrophobicContact CD1-CZ 4.12Å; F194-F202 HydrophobicContact CE1-CE2 4.38Å; F194-F202 AromaticContact CE1-CZ 3.66Å; F194-F202 HydrophobicContact CE1-CZ 3.66Å; I195-F202 HydrophobicContact CB-CD2 4.35Å; I195-F202 HydrophobicContact CB-CE2 4.31Å; I195-F202 HydrophobicContact CG1-CD2 4.24Å; I195-F202 HydrophobicContact CG1-CE2 4.03Å; I195-F202 HydrophobicContact CG1-CZ 4.4Å; I195-F202 HydrophobicContact CG2-CD2 4.04Å; I195-F202 HydrophobicContact CG2-CE2 4.49Å; R198-F202 HydrophobicContact CB-CD2 4.23Å; R198-F202 HydrophobicContact CB-CE2 3.72Å; R198-F202 HydrophobicContact CG-CE2 4.49Å; F202-I278 HydrophobicContact CB-CD1 3.64Å; F202-I278 HydrophobicContact CB-CG1 3.88Å; F202-I278 HydrophobicContact CG-CD1 4.36Å
203V97.6Very high95.1Very high26 Ų2631.6 Ų31.616%0.15819%0.187CC..EExtended strand (participates in β ladder)trans-102.4-24.9176.4-173.90000111.4P60 S61 E201 I278 K279 Y280 V321P60-V203 HydrophobicContact CB-CB 4.35Å; P60-V203 HydrophobicContact CB-CG2 3.57Å; S61-V203 PolarHBondContact O-N 3.41Å; E201-V203 PolarHBondContact O-N 2.96Å; V203-I278 WeakPolarHBondContact O-CG2 3.23Å; V203-K279 PolarHBondContact O-N 3.01Å; V203-Y280 HydrophobicContact CG1-CD2 4.11Å; V203-Y280 HydrophobicContact CG1-CE2 4.41Å; V203-Y280 PolarHBondContact O-N 2.9Å; V203-V321 HydrophobicContact CB-CG1 3.84Å; V203-V321 HydrophobicContact CB-CG2 4.34Å; V203-V321 HydrophobicContact CG1-CB 4.42Å; V203-V321 HydrophobicContact CG1-CG1 3.97Å; V203-V321 HydrophobicContact CG1-CG2 4.14Å; V203-V321 HydrophobicContact CG2-CG1 4.43Å
204S98.6Very high95.4Very high0 Ų026.3 Ų26.30%017%0.167CC..EExtended strand (participates in β ladder)trans-130.9145.5175.8-174.60000112.7S61 W63 I278 Y280 V317S61-S204 PolarHBondContact O-N 3.3Å; W63-S204 PolarHBondContact N-O 3.48Å; S204-I278 VanDerWaalsContact C-CG2 3.48Å; S204-Y280 CarbonylContact C-O 3.47Å; S204-Y280 WeakPolarHBondContact CA-O 3.48Å; S204-Y280 PolarHBondContact OG-O 3.48Å; S204-V317 VanDerWaalsContact OG-CG1 3.25Å; S204-V317 WeakPolarHBondContact OG-CG1 3.39Å
205F98.8Very high95.9Very high0 Ų026 Ų260%017%0.166CC..EExtended strand (participates in β ladder)trans-133121.3173.6-177-81.4000108.3W63 D65 I195 T207 A272 I278 Y280 S281 Y282W63-F205 HydrophobicContact CB-CD2 4.04Å; W63-F205 AromaticContact CD1-CD2 3.22Å; W63-F205 AromaticContact CD1-CE2 3.14Å; W63-F205 AromaticContact CD1-CG 3.94Å; W63-F205 AromaticContact CD1-CZ 3.81Å; W63-F205 HydrophobicContact CD2-CE2 4.49Å; W63-F205 AromaticContact CG-CD2 3.73Å; W63-F205 HydrophobicContact CG-CD2 3.73Å; W63-F205 AromaticContact CG-CE2 3.91Å; W63-F205 HydrophobicContact CG-CE2 3.91Å; W63-F205 AromaticContact NE1-CD2 3.88Å; W63-F205 AromaticContact NE1-CE2 3.28Å; W63-F205 VanDerWaalsContact NE1-CE2 3.28Å; W63-F205 AromaticContact NE1-CZ 3.74Å; W63-F205 CarbonylContact O-C 3.23Å; W63-F205 WeakPolarHBondContact O-CA 3.35Å; D65-F205 VanDerWaalsContact OD2-CZ 3.32Å; D65-F205 WeakPolarHBondContact OD2-CZ 3.35Å; I195-F205 HydrophobicContact CD1-CD2 3.92Å; I195-F205 HydrophobicContact CD1-CE2 3.74Å; F205-T207 HydrophobicContact CE1-CG2 4.01Å; F205-A272 HydrophobicContact CB-CB 3.81Å; F205-A272 HydrophobicContact CD1-CB 3.7Å; F205-A272 HydrophobicContact CD2-CB 3.62Å; F205-A272 HydrophobicContact CE1-CB 4.17Å; F205-A272 HydrophobicContact CE2-CB 4.1Å; F205-A272 HydrophobicContact CG-CB 3.42Å; F205-A272 VanDerWaalsContact CG-CB 3.42Å; F205-A272 HydrophobicContact CZ-CB 4.37Å; F205-I278 HydrophobicContact CB-CB 4.47Å; F205-I278 HydrophobicContact CB-CD1 3.99Å; F205-I278 HydrophobicContact CB-CG2 3.93Å; F205-I278 HydrophobicContact CD2-CD1 4.15Å; F205-I278 HydrophobicContact CG-CD1 4.5Å; F205-Y280 PolarHBondContact N-O 3.37Å; F205-S281 CarbonylContact O-C 3.59Å; F205-S281 VanDerWaalsContact O-CA 3.28Å; F205-S281 WeakPolarHBondContact O-CA 3.2Å; F205-Y282 PolarHBondContact O-N 2.99Å
206I98.9Very high96.1Very high0 Ų026.1 Ų26.10%017%0.167CC..EExtended strand (participates in β ladder)trans-127.7120179.9-56.5176.1000107.6W63 L64 D65 L208 Y282 L284 I314 V317W63-I206 PolarHBondContact O-N 2.86Å; L64-I206 CarbonylContact C-O 3.56Å; L64-I206 VanDerWaalsContact CA-O 3.26Å; L64-I206 WeakPolarHBondContact CA-O 3.43Å; L64-I206 HydrophobicContact CD1-CG2 4.46Å; L64-I206 HydrophobicContact CG-CB 4.43Å; D65-I206 PolarHBondContact N-O 2.92Å; I206-L208 HydrophobicContact CG2-CD2 3.94Å; I206-Y282 WeakPolarHBondContact CA-O 3.47Å; I206-L284 HydrophobicContact CG2-CD1 4.1Å; I206-I314 HydrophobicContact CD1-CG1 4.19Å; I206-I314 HydrophobicContact CD1-CG2 4.25Å; I206-V317 HydrophobicContact CD1-CB 4.27Å; I206-V317 HydrophobicContact CD1-CG1 4.11Å; I206-V317 HydrophobicContact CD1-CG2 4.32Å
207T98.8Very high96.4Very high0 Ų023.9 Ų23.90%015%0.149CC..EExtended strand (participates in β ladder)trans-112.4127.2172.1-176.90000109.5D65 F205 E269 Y282 L283 L284D65-T207 VanDerWaalsContact OD1-CB 3.25Å; D65-T207 WeakPolarHBondContact OD1-CB 3.41Å; D65-T207 PolarHBondContact OD1-OG1 2.79Å; F205-T207 HydrophobicContact CE1-CG2 4.01Å; T207-E269 HydrophobicContact CG2-CB 4.27Å; T207-Y282 PolarHBondContact N-O 3.43Å; T207-L283 HydrophobicContact CG2-CB 3.89Å; T207-L283 HydrophobicContact CG2-CD1 4.42Å; T207-L283 HydrophobicContact CG2-CG 3.89Å; T207-L283 WeakPolarHBondContact O-CA 3.29Å; T207-L284 PolarHBondContact O-N 3.21Å
208L98.9Very high96.8Very high0 Ų020.5 Ų20.50%013%0.126CC..EExtended strand (participates in β ladder)trans-96.9125.7-177.4-56.6-178.3000110.1L64 D65 A66 A75 T78 A79 I82 I206 L284 L286 T310L64-L208 HydrophobicContact CD2-CD1 4.04Å; L64-L208 HydrophobicContact CD2-CG 4.46Å; D65-L208 PolarHBondContact O-N 3.01Å; A66-L208 HydrophobicContact CB-CB 3.92Å; A66-L208 HydrophobicContact CB-CD1 4.3Å; A66-L208 HydrophobicContact CB-CG 4.48Å; A75-L208 HydrophobicContact CB-CB 3.88Å; A75-L208 VanDerWaalsContact CB-O 3.24Å; A75-L208 WeakPolarHBondContact CB-O 3.34Å; T78-L208 HydrophobicContact CG2-CD1 3.82Å; A79-L208 HydrophobicContact CB-CD1 4.36Å; I82-L208 HydrophobicContact CD1-CD1 4.12Å; I206-L208 HydrophobicContact CG2-CD2 3.94Å; L208-L284 HydrophobicContact CD2-CB 3.99Å; L208-L284 HydrophobicContact CD2-CD2 3.91Å; L208-L284 HydrophobicContact CD2-CG 4.48Å; L208-L286 HydrophobicContact CB-CD1 4.4Å; L208-T310 HydrophobicContact CD2-CG2 4.41Å
209H98.7Very high97.1Very high0 Ų020.5 Ų20.50%013%0.126CC..EExtended strand (participates in β ladder)trans-126.2174.7178.5-77-93.1000111I68 H69 E72 L283 L284 L286I68-H209 WeakPolarHBondContact CG2-CE1 3.22Å; I68-H209 WeakPolarHBondContact CG2-NE2 3.24Å; H69-H209 AromaticContact CE1-CE1 3.28Å; H69-H209 PolarHBondContact CE1-CE1 3.47Å; H69-H209 AromaticContact CE1-ND1 3.35Å; H69-H209 PolarHBondContact CE1-ND1 3.21Å; H69-H209 AromaticContact ND1-CE1 3.52Å; H69-H209 AromaticContact ND1-ND1 3.21Å; H69-H209 PolarHBondContact ND1-ND1 3.5Å; H69-H209 AromaticContact NE2-CE1 3.91Å; E72-H209 WeakPolarHBondContact OE2-CA 3.43Å; E72-H209 VanDerWaalsContact OE2-CB 3.31Å; E72-H209 WeakPolarHBondContact OE2-CB 3.43Å; E72-H209 IonicContact OE2-CG 3.31Å; E72-H209 IonicContact OE2-ND1 2.75Å; E72-H209 PolarHBondContact OE2-ND1 3.3Å; H209-L283 HydrophobicContact CB-CD2 4.01Å; H209-L284 CarbonylContact C-O 3.45Å; H209-L284 WeakPolarHBondContact CA-O 3.32Å; H209-L284 WeakPolarHBondContact CB-O 3.49Å; H209-L284 PolarHBondContact N-O 3.15Å; H209-L284 VanDerWaalsContact O-O 3.05Å; H209-L286 VanDerWaalsContact O-CB 3.3Å; H209-L286 WeakPolarHBondContact O-CB 3.19Å; H209-L286 WeakPolarHBondContact O-CG 3.48Å; H209-L286 PolarHBondContact O-N 3.46Å
210S98.1Very high97.5Very high4 Ų415.8 Ų15.83%0.0289%0.094CC..EExtended strand (participates in β ladder)trans-146.6153.7160.372.50000111.2E72 I74 E285 F296E72-S210 WeakPolarHBondContact CB-OG 3.37Å; E72-S210 VanDerWaalsContact CG-O 3.22Å; E72-S210 WeakPolarHBondContact CG-O 3.32Å; E72-S210 VanDerWaalsContact OE1-O 3.11Å; E72-S210 PolarHBondContact OE2-N 3.08Å; I74-S210 WeakPolarHBondContact CG2-OG 3.05Å; S210-E285 WeakPolarHBondContact CA-OE2 3.35Å; S210-E285 PolarHBondContact N-OE2 2.85Å; S210-F296 WeakPolarHBondContact O-CE1 3.37Å
211Y97.8Very high97.9Very high62 Ų6213.5 Ų13.524%0.2436%0.063CC..SBendcis-133.5156.63.565-78.6000109.8E285 L286 P288 G295 F296Y211-E285 PolarHBondContact N-OE2 2.94Å; Y211-E285 VanDerWaalsContact N-OE2 3.09Å; Y211-L286 WeakPolarHBondContact CA-O 3.25Å; Y211-P288 VanDerWaalsContact CB-CD 3.46Å; Y211-P288 HydrophobicContact CD2-CG 4.03Å; Y211-P288 HydrophobicContact CG-CG 4.32Å; Y211-G295 VanDerWaalsContact CD1-C 3.41Å; Y211-F296 AromaticContact CD1-CD1 3.97Å; Y211-F296 HydrophobicContact CD1-CD1 3.97Å; Y211-F296 HydrophobicContact CD1-CD2 4.2Å; Y211-F296 AromaticContact CD1-CE1 3.99Å; Y211-F296 HydrophobicContact CD1-CE1 3.99Å; Y211-F296 HydrophobicContact CD1-CE2 4.17Å; Y211-F296 HydrophobicContact CD1-CG 4.09Å; Y211-F296 HydrophobicContact CD1-CZ 4.04Å; Y211-F296 HydrophobicContact CE1-CD1 4.4Å; Y211-F296 AromaticContact CE1-CD2 3.82Å; Y211-F296 HydrophobicContact CE1-CD2 3.82Å; Y211-F296 HydrophobicContact CE1-CE1 4.32Å; Y211-F296 AromaticContact CE1-CE2 3.68Å; Y211-F296 HydrophobicContact CE1-CE2 3.68Å; Y211-F296 HydrophobicContact CE1-CG 4.17Å; Y211-F296 AromaticContact CE1-CZ 3.92Å; Y211-F296 HydrophobicContact CE1-CZ 3.92Å
212S98Very high98.1Very high12 Ų1218.2 Ų18.28%0.0848%0.079CC..SBendtrans176.4-8.7162.3-85.10000112.7L286 P288 K290S212-L286 PolarHBondContact N-O 3.28Å; S212-L286 VanDerWaalsContact N-O 3.08Å; S212-P288 CarbonylContact C-O 3.59Å; S212-P288 PolarHBondContact N-O 3.28Å; S212-K290 PolarHBondContact O-N 3.46Å
213Q98.4Very high98.1Very high23 Ų2324.5 Ų24.511%0.10710%0.102CC..  trans56.564.3-165.8-61.3172.8-174.800111T250 R251 Y252 E253 E285 L286 R287 H289Q213-T250 VanDerWaalsContact CD-CG2 3.49Å; Q213-T250 HydrophobicContact CG-CG2 4.16Å; Q213-R251 WeakPolarHBondContact CB-O 3.3Å; Q213-R251 PolarHBondContact NE2-O 3.1Å; Q213-Y252 VanDerWaalsContact C-CD1 3.5Å; Q213-Y252 HydrophobicContact CB-CD1 4.37Å; Q213-Y252 HydrophobicContact CB-CD2 3.77Å; Q213-Y252 HydrophobicContact CB-CE1 4.42Å; Q213-Y252 HydrophobicContact CB-CE2 3.83Å; Q213-Y252 HydrophobicContact CB-CG 4.05Å; Q213-Y252 HydrophobicContact CG-CD2 4.21Å; Q213-Y252 HydrophobicContact CG-CE2 3.81Å; Q213-Y252 CarbonylContact O-C 3.55Å; Q213-Y252 WeakPolarHBondContact O-CA 3.32Å; Q213-E253 PolarHBondContact O-N 3.31Å; Q213-E285 CarbonylContact C-O 3.29Å; Q213-E285 WeakPolarHBondContact CA-O 3.5Å; Q213-E285 PolarHBondContact N-O 3.09Å; Q213-L286 PolarHBondContact N-O 3.49Å; Q213-L286 VanDerWaalsContact N-O 3.15Å; Q213-R287 HydrophobicContact CG-CG 4.38Å; Q213-H289 VanDerWaalsContact OE1-N 3.14Å
214M98.6Very high98Very high1 Ų130.8 Ų30.81%0.00513%0.13CC..EExtended strand (participates in β ladder)trans-129.3135.4177.7-59.6178.8171.300110.7M216 E253 L260 L261 L284 E285 K290M214-M216 HydrophobicContact CB-CG 3.84Å; M214-M216 HydrophobicContact CB-SD 4.27Å; M214-M216 HydrophobicContact SD-SD 4.27Å; M214-E253 CarbonylContact C-O 3.53Å; M214-E253 WeakPolarHBondContact CA-O 3.45Å; M214-E253 HydrophobicContact CG-CB 4.33Å; M214-L260 HydrophobicContact CB-CD1 4.15Å; M214-L260 HydrophobicContact CE-CB 4.2Å; M214-L260 HydrophobicContact CG-CD1 4.24Å; M214-L260 HydrophobicContact SD-CB 3.84Å; M214-L260 HydrophobicContact SD-CD1 4.14Å; M214-L261 HydrophobicContact CE-CD2 3.62Å; M214-L261 HydrophobicContact CE-CG 4.14Å; M214-L261 HydrophobicContact SD-CD1 4Å; M214-L261 HydrophobicContact SD-CD2 3.69Å; M214-L261 HydrophobicContact SD-CG 3.63Å; M214-L284 CarbonylContact O-C 3.53Å; M214-L284 WeakPolarHBondContact O-CA 3.27Å; M214-E285 HydrophobicContact CB-CB 4.04Å; M214-E285 HydrophobicContact CB-CG 4.41Å; M214-E285 PolarHBondContact N-O 3Å; M214-E285 PolarHBondContact O-N 2.74Å; M214-K290 HydrophobicContact CE-CD 4.15Å
215W98.7Very high97.8Very high0 Ų031.1 Ų31.10%013%0.133CC..EExtended strand (participates in β ladder)trans-10695.5171-166.1-56.3000108.2A237 A240 E253 V254 G255 Y282 L284 I314 V317W215-A237 HydrophobicContact CG-CB 4.04Å; W215-A240 HydrophobicContact CD2-CB 4.15Å; W215-A240 HydrophobicContact CE3-CB 3.98Å; W215-A240 HydrophobicContact CH2-CB 3.43Å; W215-A240 VanDerWaalsContact CH2-CB 3.43Å; W215-A240 HydrophobicContact CZ2-CB 3.57Å; W215-A240 HydrophobicContact CZ3-CB 3.62Å; W215-E253 PolarHBondContact N-O 2.7Å; W215-V254 HydrophobicContact CB-CG2 4.2Å; W215-G255 PolarHBondContact O-N 3.4Å; W215-Y282 AromaticContact CD1-CD1 3.58Å; W215-Y282 AromaticContact NE1-CD1 3.13Å; W215-Y282 AromaticContact NE1-CE1 3.61Å; W215-Y282 AromaticContact NE1-CG 3.37Å; W215-L284 HydrophobicContact CD2-CD1 3.99Å; W215-L284 HydrophobicContact CD2-CD2 4.32Å; W215-L284 HydrophobicContact CD2-CG 4.04Å; W215-L284 HydrophobicContact CE3-CD1 4.38Å; W215-L284 HydrophobicContact CE3-CD2 3.88Å; W215-L284 HydrophobicContact CE3-CG 4.01Å; W215-L284 HydrophobicContact CG-CD1 4.32Å; W215-L284 HydrophobicContact CG-CG 4.47Å; W215-L284 HydrophobicContact CH2-CD1 4.42Å; W215-L284 HydrophobicContact CH2-CD2 3.85Å; W215-L284 HydrophobicContact CZ2-CD1 4.06Å; W215-L284 HydrophobicContact CZ2-CD2 4.32Å; W215-L284 HydrophobicContact CZ3-CD2 3.63Å; W215-L284 HydrophobicContact CZ3-CG 4.25Å; W215-I314 HydrophobicContact CH2-CG1 4.38Å; W215-V317 HydrophobicContact CH2-CG2 4.29Å; W215-V317 HydrophobicContact CZ2-CG2 3.66Å
216M98.5Very high97.7Very high7 Ų736.4 Ų36.43%0.03415%0.154CC..EExtended strand (participates in β ladder)trans-97.3145.3-171.2-53.8-162.9-69.500111.4M214 G255 G257 L260 L261 Y282 L283 E285M214-M216 HydrophobicContact CB-CG 3.84Å; M214-M216 HydrophobicContact CB-SD 4.27Å; M214-M216 HydrophobicContact SD-SD 4.27Å; M216-G255 CarbonylContact C-O 3.6Å; M216-G255 VanDerWaalsContact CA-O 3.25Å; M216-G255 WeakPolarHBondContact CA-O 3.3Å; M216-G257 WeakPolarHBondContact SD-CA 3.21Å; M216-L260 HydrophobicContact CG-CD1 4.14Å; M216-L261 HydrophobicContact CE-CD1 4.05Å; M216-L261 HydrophobicContact SD-CD1 4Å; M216-Y282 CarbonylContact O-C 3.59Å; M216-Y282 VanDerWaalsContact O-CA 3.24Å; M216-Y282 WeakPolarHBondContact O-CA 3.18Å; M216-L283 WeakPolarHBondContact CA-O 3.24Å; M216-L283 HydrophobicContact CB-CB 4.35Å; M216-L283 WeakPolarHBondContact CB-O 3.22Å; M216-L283 HydrophobicContact CE-CB 4.45Å; M216-L283 HydrophobicContact CE-CD1 4.05Å; M216-L283 HydrophobicContact CE-CD2 3.26Å; M216-L283 HydrophobicContact CE-CG 4.08Å; M216-L283 PolarHBondContact N-O 3.31Å; M216-L283 PolarHBondContact O-N 3.31Å; M216-E285 HydrophobicContact CE-CG 3.74Å
217Y98.5Very high97.6Very high9 Ų936.7 Ų36.74%0.03516%0.156CC..  trans-130.4158.5170.750.9-104.6000110.7V230 L233 R234 A237 V254 G255 T256 Y282Y217-V230 HydrophobicContact CD2-CG2 4.06Å; Y217-V230 HydrophobicContact CE2-CG2 3.51Å; Y217-L233 HydrophobicContact CG-CB 4.17Å; Y217-R234 HydrophobicContact CE1-CB 3.8Å; Y217-R234 HydrophobicContact CE1-CG 4.02Å; Y217-R234 WeakPolarHBondContact OH-CD 3.44Å; Y217-R234 PolarHBondContact OH-NH1 3.11Å; Y217-A237 HydrophobicContact CD1-CB 4.12Å; Y217-A237 HydrophobicContact CE1-CB 4.43Å; Y217-V254 HydrophobicContact CD1-CG1 4.43Å; Y217-V254 HydrophobicContact CE1-CG1 3.73Å; Y217-G255 PolarHBondContact N-O 3.08Å; Y217-T256 HydrophobicContact CD2-CG2 4.02Å; Y217-T256 HydrophobicContact CE2-CG2 3.74Å; Y217-T256 WeakPolarHBondContact O-CA 3.5Å; Y217-Y282 HydrophobicContact CD1-CE1 4.41Å
218P98.5Very high97.5Very high0 Ų042.8 Ų42.80%020%0.198CC..SBendtrans-59.5149.5-179.3-31.239.7000115.1E269 D270 K273 S281P218-E269 HydrophobicContact CG-CG 4.31Å; P218-E269 WeakPolarHBondContact CG-O 3.43Å; P218-D270 WeakPolarHBondContact CA-OD1 3.22Å; P218-D270 VanDerWaalsContact CB-OD1 3.24Å; P218-D270 WeakPolarHBondContact CB-OD1 3.04Å; P218-K273 HydrophobicContact CB-CB 4Å; P218-K273 HydrophobicContact CB-CG 3.93Å; P218-K273 HydrophobicContact CG-CB 3.66Å; P218-K273 HydrophobicContact CG-CG 4Å; P218-S281 WeakPolarHBondContact CD-O 3.26Å
219Y98.2Very high97.3Very high43 Ų4344.1 Ų44.117%0.16921%0.205CC..  cis-106.3139.47.9-64-65.5000114.1F161 H221 A225 T256 D270 K273 A274F161-Y219 HydrophobicContact CE1-CD1 4Å; F161-Y219 HydrophobicContact CE2-CD1 4.02Å; F161-Y219 AromaticContact CE2-CE1 3.95Å; F161-Y219 HydrophobicContact CE2-CE1 3.95Å; F161-Y219 AromaticContact CZ-CD1 3.38Å; F161-Y219 HydrophobicContact CZ-CD1 3.38Å; F161-Y219 AromaticContact CZ-CE1 3.8Å; F161-Y219 HydrophobicContact CZ-CE1 3.8Å; F161-Y219 AromaticContact CZ-CG 3.99Å; F161-Y219 HydrophobicContact CZ-CG 3.99Å; Y219-H221 WeakPolarHBondContact CB-ND1 3.47Å; Y219-A225 PolarHBondContact N-O 2.83Å; Y219-T256 WeakPolarHBondContact O-CB 3.03Å; Y219-D270 VanDerWaalsContact CA-OD1 3.22Å; Y219-D270 WeakPolarHBondContact CA-OD1 3.17Å; Y219-D270 HydrophobicContact CD1-CB 4.34Å; Y219-K273 HydrophobicContact CE1-CB 4.32Å; Y219-K273 HydrophobicContact CE1-CG 4.03Å; Y219-A274 HydrophobicContact CE1-CB 3.75Å
220G96.5Very high97.3Very high4 Ų445.5 Ų45.54%0.04121%0.213CC..  trans-86.8-21.4176.900000115.3R222 A258 P263 A264 D270G220-R222 VanDerWaalsContact C-N 3.29Å; G220-R222 PolarHBondContact O-N 3.44Å; G220-A258 WeakPolarHBondContact O-CB 3.3Å; G220-P263 CarbonylContact O-C 3.47Å; G220-P263 VanDerWaalsContact O-CA 3.28Å; G220-P263 WeakPolarHBondContact O-CA 3.31Å; G220-A264 CarbonylContact C-O 3.54Å; G220-A264 PolarHBondContact O-N 2.76Å; G220-D270 WeakPolarHBondContact CA-OD2 3.26Å; G220-D270 VanDerWaalsContact N-CG 3.27Å; G220-D270 PolarHBondContact N-OD1 3.03Å; G220-D270 PolarHBondContact N-OD2 2.84Å
221H97.1Very high97.2Very high24 Ų2455 Ų5511%0.11125%0.249CC..SBendtrans-66.6-20.6-176.575-73.6000115.6F161 N162 V166 Y219 P263 A264 D270F161-H221 HydrophobicContact CD1-CB 4.47Å; F161-H221 HydrophobicContact CE1-CB 3.84Å; F161-H221 AromaticContact CE1-CG 3.71Å; F161-H221 AromaticContact CE1-ND1 3.29Å; F161-H221 VanDerWaalsContact CE1-ND1 3.29Å; F161-H221 WeakPolarHBondContact CE1-ND1 3.44Å; F161-H221 AromaticContact CZ-CE1 3.88Å; F161-H221 AromaticContact CZ-ND1 3.45Å; F161-H221 WeakPolarHBondContact CZ-ND1 3.45Å; N162-H221 HydrophobicContact CB-CB 4.21Å; V166-H221 WeakPolarHBondContact CG1-O 3.24Å; Y219-H221 WeakPolarHBondContact CB-ND1 3.47Å; H221-P263 WeakPolarHBondContact O-CB 3.46Å; H221-A264 WeakPolarHBondContact CA-O 3.2Å; H221-A264 PolarHBondContact N-O 3.11Å; H221-D270 PolarHBondContact N-OD2 3.3Å
222R96.8Very high97.2Very high156 Ų15656.7 Ų56.759%0.58926%0.259SS*.SBendtrans-157.6141.3-176.9-170.517665.3-168.9-3.7111.4G220 A225 A258G220-R222 VanDerWaalsContact C-N 3.29Å; G220-R222 PolarHBondContact O-N 3.44Å; R222-A225 HydrophobicContact CB-CB 4.1Å; R222-A225 VanDerWaalsContact O-CB 3.27Å; R222-A225 WeakPolarHBondContact O-CB 3.24Å; R222-A225 PolarHBondContact O-N 3.39Å; R222-A258 WeakPolarHBondContact O-CB 3.38Å
223R96.9Very high97.2Very high144 Ų14456.1 Ų56.154%0.54326%0.255SS..THydrogen-bonded Turntrans-58.5144.9172.8-74.5-175176-175.31.5111A225 A258 D259 P263R223-A225 PolarHBondContact O-N 2.96Å; R223-A225 VanDerWaalsContact O-N 3.12Å; R223-A258 HydrophobicContact CG-CB 4.03Å; R223-A258 VanDerWaalsContact CG-O 3.24Å; R223-A258 WeakPolarHBondContact CG-O 3.13Å; R223-A258 PolarHBondContact NE-O 2.99Å; R223-D259 WeakPolarHBondContact CA-OD1 3.41Å; R223-D259 WeakPolarHBondContact CB-OD1 3.44Å; R223-P263 HydrophobicContact CG-CG 4.31Å
224Q95Very high97.2Very high157 Ų15760.1 Ų60.173%0.73427%0.269SS*.THydrogen-bonded Turntrans5721.5-178.9-53.7178.1-1.600114.7Y226 D259Q224-Y226 HydrophobicContact CB-CE2 4.14Å; Q224-D259 PolarHBondContact N-OD1 3.22Å
225A94.8Very high97.2Very high8 Ų862.5 Ų62.57%0.06629%0.289CS..  trans-96.3118.1170.500000109.7Y219 R222 R223Y219-A225 PolarHBondContact N-O 2.83Å; R222-A225 HydrophobicContact CB-CB 4.1Å; R222-A225 VanDerWaalsContact O-CB 3.27Å; R222-A225 WeakPolarHBondContact O-CB 3.24Å; R222-A225 PolarHBondContact O-N 3.39Å; R223-A225 PolarHBondContact O-N 2.96Å; R223-A225 VanDerWaalsContact O-N 3.12Å
226Y96.6Very high97.2Very high111 Ų11163 Ų6344%0.43529%0.292SS..  trans-127.5142.9-172.8-56.1-60.5000111.1Q224 V230 T256 D259Q224-Y226 HydrophobicContact CB-CE2 4.14Å; Y226-V230 HydrophobicContact CD1-CG2 3.9Å; Y226-V230 HydrophobicContact CG-CG1 4.46Å; Y226-V230 HydrophobicContact CG-CG2 4.24Å; Y226-T256 HydrophobicContact CD1-CG2 3.76Å; Y226-T256 HydrophobicContact CE1-CG2 3.66Å; Y226-D259 WeakPolarHBondContact CE1-OD2 3.22Å; Y226-D259 PolarHBondContact OH-OD2 3.16Å
227S95.5Very high97.2Very high6 Ų662.6 Ų62.64%0.04229%0.29CS..  trans-65.8157.1167.971.40000110.9D229 V230 L233S227-D229 WeakPolarHBondContact CB-OD1 3.48Å; S227-D229 PolarHBondContact O-N 3Å; S227-D229 VanDerWaalsContact O-N 3.13Å; S227-D229 PolarHBondContact OG-OD1 2.94Å; S227-V230 WeakPolarHBondContact O-CB 3.48Å; S227-V230 PolarHBondContact O-N 3.14Å; S227-V230 VanDerWaalsContact O-N 3.09Å; S227-V230 PolarHBondContact OG-N 2.89Å; S227-L233 WeakPolarHBondContact OG-CD1 3.44Å
228S96.4Very high97.2Very high127 Ų12766.3 Ų66.389%0.88831%0.31SS*.THydrogen-bonded Turntrans-60.4-24.7179.653.90000113.4
229D95.9Very high97.2Very high29 Ų2973 Ų7316%0.15534%0.335CS..THydrogen-bonded Turntrans-105.718.1179.167.5-20.1000113.8S227 R231 Q232 L233 K273S227-D229 WeakPolarHBondContact CB-OD1 3.48Å; S227-D229 PolarHBondContact O-N 3Å; S227-D229 VanDerWaalsContact O-N 3.13Å; S227-D229 PolarHBondContact OG-OD1 2.94Å; D229-R231 PolarHBondContact O-N 3.25Å; D229-Q232 WeakPolarHBondContact O-CB 3.14Å; D229-Q232 PolarHBondContact O-N 3.09Å; D229-L233 PolarHBondContact O-N 2.53Å; D229-K273 WeakPolarHBondContact OD1-CE 3.39Å; D229-K273 IonicContact OD1-NZ 3.81Å; D229-K273 PolarHBondContact OD1-NZ 3.33Å; D229-K273 IonicContact OD2-NZ 2.97Å; D229-K273 PolarHBondContact OD2-NZ 3.15Å
230V97.5Very high97.3Very high28 Ų2871 Ų7117%0.1733%0.327CS..Hα-helixtrans-50.3-33.3-177.967.50000113.8Y217 Y226 S227 Q232 L233 R234Y217-V230 HydrophobicContact CD2-CG2 4.06Å; Y217-V230 HydrophobicContact CE2-CG2 3.51Å; Y226-V230 HydrophobicContact CD1-CG2 3.9Å; Y226-V230 HydrophobicContact CG-CG1 4.46Å; Y226-V230 HydrophobicContact CG-CG2 4.24Å; S227-V230 WeakPolarHBondContact O-CB 3.48Å; S227-V230 PolarHBondContact O-N 3.14Å; S227-V230 VanDerWaalsContact O-N 3.09Å; S227-V230 PolarHBondContact OG-N 2.89Å; V230-Q232 VanDerWaalsContact C-N 3.31Å; V230-Q232 PolarHBondContact O-N 3.08Å; V230-L233 PolarHBondContact O-N 3.18Å; V230-R234 VanDerWaalsContact O-CB 3.26Å; V230-R234 WeakPolarHBondContact O-CB 3.42Å; V230-R234 PolarHBondContact O-N 3.03Å
231R97.7Very high97.4Very high205 Ų20571.3 Ų71.377%0.77433%0.328SS*.Hα-helixtrans-62.6-38.1177.2-68.3-166.5-63-86.1-0.6112.1D229 A235D229-R231 PolarHBondContact O-N 3.25Å; R231-A235 WeakPolarHBondContact O-CB 3.41Å; R231-A235 PolarHBondContact O-N 2.66Å
232Q97.2Very high97.4Very high97 Ų9775 Ų7545%0.45335%0.346SS..Hα-helixtrans-72.5-44.7177.2-65.5177.4-18.400110.6D229 V230 R234 A235 V236D229-Q232 WeakPolarHBondContact O-CB 3.14Å; D229-Q232 PolarHBondContact O-N 3.09Å; V230-Q232 VanDerWaalsContact C-N 3.31Å; V230-Q232 PolarHBondContact O-N 3.08Å; Q232-R234 VanDerWaalsContact C-N 3.34Å; Q232-R234 PolarHBondContact O-N 2.93Å; Q232-A235 PolarHBondContact O-N 3.24Å; Q232-V236 PolarHBondContact O-N 2.9Å; Q232-V236 VanDerWaalsContact O-N 3.12Å
233L98.2Very high97.5Very high0 Ų068.4 Ų68.40%033%0.325CS..Hα-helixtrans-55.8-49.4175.1-74.8173.3000111.5Y217 S227 D229 V230 V236 A237 K279 Y280 Y282Y217-L233 HydrophobicContact CG-CB 4.17Å; S227-L233 WeakPolarHBondContact OG-CD1 3.44Å; D229-L233 PolarHBondContact O-N 2.53Å; V230-L233 PolarHBondContact O-N 3.18Å; L233-V236 PolarHBondContact O-N 3.42Å; L233-A237 WeakPolarHBondContact O-CB 3.45Å; L233-A237 PolarHBondContact O-N 2.88Å; L233-K279 WeakPolarHBondContact CD2-O 3.2Å; L233-Y280 HydrophobicContact CD2-CD1 4.19Å; L233-Y282 WeakPolarHBondContact CA-OH 3.38Å; L233-Y282 HydrophobicContact CB-CE1 4.39Å; L233-Y282 HydrophobicContact CD2-CE1 4.04Å; L233-Y282 HydrophobicContact CD2-CE2 4.43Å; L233-Y282 PolarHBondContact O-OH 2.82Å
234R98.5Very high97.6Very high106 Ų10661.6 Ų61.640%0.430%0.299SS..Hα-helixtrans-63.5-40.9178.9-173.5176.8-178.681.50.5112.3Y217 V230 Q232 V236 A237 L238 V254Y217-R234 HydrophobicContact CE1-CB 3.8Å; Y217-R234 HydrophobicContact CE1-CG 4.02Å; Y217-R234 WeakPolarHBondContact OH-CD 3.44Å; Y217-R234 PolarHBondContact OH-NH1 3.11Å; V230-R234 VanDerWaalsContact O-CB 3.26Å; V230-R234 WeakPolarHBondContact O-CB 3.42Å; V230-R234 PolarHBondContact O-N 3.03Å; Q232-R234 VanDerWaalsContact C-N 3.34Å; Q232-R234 PolarHBondContact O-N 2.93Å; R234-V236 PolarHBondContact O-N 2.77Å; R234-A237 PolarHBondContact O-N 3.45Å; R234-L238 HydrophobicContact CG-CD1 3.98Å; R234-L238 HydrophobicContact CG-CG 4.3Å; R234-L238 WeakPolarHBondContact O-CB 3.43Å; R234-L238 VanDerWaalsContact O-CG 3.28Å; R234-L238 WeakPolarHBondContact O-CG 3.41Å; R234-L238 PolarHBondContact O-N 3.24Å; R234-V254 HydrophobicContact CG-CG1 4.33Å; R234-V254 PolarHBondContact NH1-O 3.33Å
235A98.5Very high97.8Very high51 Ų5156.4 Ų56.442%0.42127%0.273SS..Hα-helixtrans-62.8-42.1179.300000112.2R231 Q232 R239R231-A235 WeakPolarHBondContact O-CB 3.41Å; R231-A235 PolarHBondContact O-N 2.66Å; Q232-A235 PolarHBondContact O-N 3.24Å; A235-R239 PolarHBondContact O-N 2.88Å
236V98.6Very high98Very high10 Ų1061.2 Ų61.26%0.06130%0.298CS..Hα-helixtrans-68.3-44.9175.21730000110.7Q232 L233 R234 L238 R239 A240 Y280 Y282 V317 A320Q232-V236 PolarHBondContact O-N 2.9Å; Q232-V236 VanDerWaalsContact O-N 3.12Å; L233-V236 PolarHBondContact O-N 3.42Å; R234-V236 PolarHBondContact O-N 2.77Å; V236-L238 VanDerWaalsContact C-N 3.35Å; V236-L238 PolarHBondContact O-N 3.14Å; V236-R239 PolarHBondContact O-N 3.45Å; V236-A240 WeakPolarHBondContact O-CB 3.42Å; V236-A240 PolarHBondContact O-N 3.12Å; V236-Y280 HydrophobicContact CG2-CD1 4.39Å; V236-Y280 HydrophobicContact CG2-CE1 3.87Å; V236-Y282 WeakPolarHBondContact CB-OH 3.14Å; V236-Y282 HydrophobicContact CG1-CE2 4.37Å; V236-V317 HydrophobicContact CG1-CB 4.49Å; V236-V317 HydrophobicContact CG1-CG2 4.01Å; V236-A320 HydrophobicContact CG1-CB 4.1Å; V236-A320 HydrophobicContact CG2-CB 3.62Å
237A98.7Very high98Very high0 Ų058.5 Ų58.50%029%0.293CS..Hα-helixtrans-60.4-39.4177.800000113.2W215 Y217 L233 R234 A240 S241 V254 Y282W215-A237 HydrophobicContact CG-CB 4.04Å; Y217-A237 HydrophobicContact CD1-CB 4.12Å; Y217-A237 HydrophobicContact CE1-CB 4.43Å; L233-A237 WeakPolarHBondContact O-CB 3.45Å; L233-A237 PolarHBondContact O-N 2.88Å; R234-A237 PolarHBondContact O-N 3.45Å; A237-A240 PolarHBondContact O-N 2.83Å; A237-S241 VanDerWaalsContact O-CB 3.29Å; A237-S241 WeakPolarHBondContact O-CB 3.29Å; A237-S241 PolarHBondContact O-N 3.47Å; A237-S241 PolarHBondContact O-OG 3.35Å; A237-V254 HydrophobicContact CB-CG1 3.6Å; A237-Y282 HydrophobicContact CB-CE1 3.92Å
238L98.8Very high98.1Very high86 Ų8662.9 Ų62.945%0.4531%0.309SS..Hα-helixtrans-65.8-42175.1-74.8169.4000111.8R234 V236 Q242 V254R234-L238 HydrophobicContact CG-CD1 3.98Å; R234-L238 HydrophobicContact CG-CG 4.3Å; R234-L238 WeakPolarHBondContact O-CB 3.43Å; R234-L238 VanDerWaalsContact O-CG 3.28Å; R234-L238 WeakPolarHBondContact O-CG 3.41Å; R234-L238 PolarHBondContact O-N 3.24Å; V236-L238 VanDerWaalsContact C-N 3.35Å; V236-L238 PolarHBondContact O-N 3.14Å; L238-Q242 WeakPolarHBondContact O-CB 3.13Å; L238-Q242 PolarHBondContact O-N 2.91Å; L238-V254 HydrophobicContact CD2-CB 3.98Å; L238-V254 HydrophobicContact CD2-CG1 4.15Å; L238-V254 HydrophobicContact CD2-CG2 4.04Å; L238-V254 HydrophobicContact CG-CB 4.5Å; L238-V254 HydrophobicContact CG-CG1 4.13Å
239R98.7Very high98.2Very high142 Ų14262 Ų6254%0.53629%0.294SS..Hα-helixtrans-64.2-45.7175.9-170.2-173-57.2164.83111.2A235 V236 Q242 A243 C316A235-R239 PolarHBondContact O-N 2.88Å; V236-R239 PolarHBondContact O-N 3.45Å; R239-Q242 PolarHBondContact O-N 2.93Å; R239-A243 PolarHBondContact O-N 2.97Å; R239-C316 HydrophobicContact CG-CB 4.4Å
240A98.8Very high98.3Very high0 Ų061 Ų610%029%0.29CS..Hα-helixtrans-60.7-46.7177.600000111.8W215 V236 A237 Q242 A243 L244 G313 C316W215-A240 HydrophobicContact CD2-CB 4.15Å; W215-A240 HydrophobicContact CE3-CB 3.98Å; W215-A240 HydrophobicContact CH2-CB 3.43Å; W215-A240 VanDerWaalsContact CH2-CB 3.43Å; W215-A240 HydrophobicContact CZ2-CB 3.57Å; W215-A240 HydrophobicContact CZ3-CB 3.62Å; V236-A240 WeakPolarHBondContact O-CB 3.42Å; V236-A240 PolarHBondContact O-N 3.12Å; A237-A240 PolarHBondContact O-N 2.83Å; A240-Q242 VanDerWaalsContact C-N 3.28Å; A240-Q242 PolarHBondContact O-N 2.71Å; A240-A243 PolarHBondContact O-N 3.35Å; A240-L244 WeakPolarHBondContact O-CB 3.43Å; A240-L244 PolarHBondContact O-N 2.84Å; A240-G313 VanDerWaalsContact CB-O 3.26Å; A240-G313 WeakPolarHBondContact CB-O 2.95Å; A240-G313 WeakPolarHBondContact O-CA 3.26Å; A240-C316 HydrophobicContact CB-CB 3.96Å
241S98.7Very high98.3Very high10 Ų1067.5 Ų67.57%0.0731%0.311CS..Hα-helixtrans-62.8-34.3176.2-59.20000112.3A237 Y245 V254A237-S241 VanDerWaalsContact O-CB 3.29Å; A237-S241 WeakPolarHBondContact O-CB 3.29Å; A237-S241 PolarHBondContact O-N 3.47Å; A237-S241 PolarHBondContact O-OG 3.35Å; S241-Y245 VanDerWaalsContact O-CB 3.28Å; S241-Y245 WeakPolarHBondContact O-CB 3.43Å; S241-Y245 PolarHBondContact O-N 3.46Å; S241-V254 WeakPolarHBondContact OG-CG2 3.31Å
242Q98.7Very high98.3Very high101 Ų10158.6 Ų58.647%0.47228%0.278SS..Hα-helixtrans-70.8-41.2174.4-174.761.957.700112.3L238 R239 A240 Y245 N246L238-Q242 WeakPolarHBondContact O-CB 3.13Å; L238-Q242 PolarHBondContact O-N 2.91Å; R239-Q242 PolarHBondContact O-N 2.93Å; A240-Q242 VanDerWaalsContact C-N 3.28Å; A240-Q242 PolarHBondContact O-N 2.71Å; Q242-Y245 PolarHBondContact O-N 3.28Å; Q242-N246 PolarHBondContact NE2-OD1 3.21Å; Q242-N246 PolarHBondContact O-N 2.87Å; Q242-N246 PolarHBondContact O-ND2 2.83Å; Q242-N246 PolarHBondContact O-OD1 3.47Å
243A98.7Very high98.4Very high19 Ų1957.2 Ų57.216%0.15727%0.271CS..Hα-helixtrans-62.1-46.8176.100000111.1R239 A240 Y245 N246 E312R239-A243 PolarHBondContact O-N 2.97Å; A240-A243 PolarHBondContact O-N 3.35Å; A243-Y245 PolarHBondContact O-N 2.85Å; A243-N246 WeakPolarHBondContact O-CB 3.19Å; A243-N246 PolarHBondContact O-N 2.9Å; A243-N246 VanDerWaalsContact O-N 3.16Å; A243-E312 HydrophobicContact CB-CB 4.38Å; A243-E312 WeakPolarHBondContact CB-O 3.14Å
244L98.3Very high98.4Very high0 Ų058.1 Ų58.10%028%0.276CS..Hα-helixtrans-55.8-50.1172.5-174.1159.6000111.3A240 N246 V247 T250 Y252 E309A240-L244 WeakPolarHBondContact O-CB 3.43Å; A240-L244 PolarHBondContact O-N 2.84Å; L244-N246 PolarHBondContact O-N 2.85Å; L244-V247 PolarHBondContact O-N 2.61Å; L244-V247 VanDerWaalsContact O-N 3.12Å; L244-T250 HydrophobicContact CD2-CG2 4.3Å; L244-Y252 HydrophobicContact CD1-CD1 4.38Å; L244-Y252 HydrophobicContact CD1-CD2 3.92Å; L244-Y252 HydrophobicContact CD1-CE1 4.17Å; L244-Y252 HydrophobicContact CD1-CE2 3.68Å; L244-Y252 HydrophobicContact CD1-CG 4.28Å; L244-Y252 HydrophobicContact CD2-CD2 3.57Å; L244-Y252 HydrophobicContact CD2-CE2 3.53Å; L244-Y252 HydrophobicContact CG-CD2 4.41Å; L244-Y252 HydrophobicContact CG-CE2 4.29Å; L244-E309 WeakPolarHBondContact CA-O 3.29Å; L244-E309 WeakPolarHBondContact CB-O 3.49Å; L244-E309 HydrophobicContact CD1-CG 4.17Å; L244-E309 HydrophobicContact CD2-CB 4.07Å; L244-E309 HydrophobicContact CD2-CG 3.82Å; L244-E309 HydrophobicContact CG-CB 3.76Å; L244-E309 HydrophobicContact CG-CG 3.68Å; L244-E309 WeakPolarHBondContact CG-O 3.42Å
245Y98.6Very high98.4Very high49 Ų4953.2 Ų53.219%0.19226%0.259CS..Hα-helixtrans-55.7-37.3177.9173.2-90.3000112.5S241 Q242 A243 V247 N249 T250 R251S241-Y245 VanDerWaalsContact O-CB 3.28Å; S241-Y245 WeakPolarHBondContact O-CB 3.43Å; S241-Y245 PolarHBondContact O-N 3.46Å; Q242-Y245 PolarHBondContact O-N 3.28Å; A243-Y245 PolarHBondContact O-N 2.85Å; Y245-V247 PolarHBondContact O-N 3.09Å; Y245-V247 VanDerWaalsContact O-N 3.16Å; Y245-N249 VanDerWaalsContact CD2-C 3.46Å; Y245-N249 HydrophobicContact CD2-CB 4.46Å; Y245-N249 WeakPolarHBondContact CD2-O 3.38Å; Y245-N249 HydrophobicContact CE2-CB 3.88Å; Y245-N249 WeakPolarHBondContact CE2-O 3.37Å; Y245-N249 WeakPolarHBondContact O-CA 3.49Å; Y245-N249 PolarHBondContact O-N 3.02Å; Y245-N249 PolarHBondContact OH-OD1 3.39Å; Y245-T250 VanDerWaalsContact CA-O 3.3Å; Y245-T250 WeakPolarHBondContact CA-O 3.46Å; Y245-T250 WeakPolarHBondContact CB-O 3.47Å; Y245-R251 HydrophobicContact CD2-CG 3.68Å; Y245-R251 HydrophobicContact CE2-CG 3.72Å; Y245-R251 PolarHBondContact OH-NH2 3.35Å
246N98.6Very high98.4Very high109 Ų10950.8 Ų50.858%0.58324%0.239SC*.Hα-helixtrans-67.4-15.5-177.1-65.7-19.8000113.8Q242 A243 L244Q242-N246 PolarHBondContact NE2-OD1 3.21Å; Q242-N246 PolarHBondContact O-N 2.87Å; Q242-N246 PolarHBondContact O-ND2 2.83Å; Q242-N246 PolarHBondContact O-OD1 3.47Å; A243-N246 WeakPolarHBondContact O-CB 3.19Å; A243-N246 PolarHBondContact O-N 2.9Å; A243-N246 VanDerWaalsContact O-N 3.16Å; L244-N246 PolarHBondContact O-N 2.85Å
247V98.1Very high98.2Very high53 Ų5350.8 Ų50.832%0.32124%0.241SC..Hα-helixtrans-79.7-51.4179.9-169.30000111.5L244 Y245 E309 E312L244-V247 PolarHBondContact O-N 2.61Å; L244-V247 VanDerWaalsContact O-N 3.12Å; Y245-V247 PolarHBondContact O-N 3.09Å; Y245-V247 VanDerWaalsContact O-N 3.16Å; V247-E309 HydrophobicContact CB-CB 3.96Å; V247-E309 HydrophobicContact CG1-CB 4.37Å; V247-E309 HydrophobicContact CG2-CB 4.19Å; V247-E312 HydrophobicContact CG2-CB 4Å; V247-E312 HydrophobicContact CG2-CG 3.67Å
248Y97.8Very high98.1Very high99 Ų9950.8 Ų50.839%0.38824%0.241SC..Hα-helixtrans-135.413.4-173.4-61.3-57.4000114.7T250 P305 K308 E309Y248-T250 PolarHBondContact O-N 3Å; Y248-P305 HydrophobicContact CD2-CB 3.93Å; Y248-P305 VanDerWaalsContact CE2-CA 3.47Å; Y248-P305 HydrophobicContact CE2-CB 3.71Å; Y248-P305 WeakPolarHBondContact CE2-O 3.38Å; Y248-K308 HydrophobicContact CE2-CB 4.3Å; Y248-E309 HydrophobicContact CD2-CB 4.05Å
249N97.8Very high98Very high107 Ų10749.4 Ų49.457%0.57223%0.234SC*.  trans62.222.4-173.6-55.7-74.2000114.5Y245 R251Y245-N249 VanDerWaalsContact CD2-C 3.46Å; Y245-N249 HydrophobicContact CD2-CB 4.46Å; Y245-N249 WeakPolarHBondContact CD2-O 3.38Å; Y245-N249 HydrophobicContact CE2-CB 3.88Å; Y245-N249 WeakPolarHBondContact CE2-O 3.37Å; Y245-N249 WeakPolarHBondContact O-CA 3.49Å; Y245-N249 PolarHBondContact O-N 3.02Å; Y245-N249 PolarHBondContact OH-OD1 3.39Å; N249-R251 PolarHBondContact O-N 3.24Å
250T97.6Very high97.9Very high10 Ų1044.7 Ų44.76%0.06122%0.219CC..PPolyproline II helixtrans-75.7124.5177.9-43.70000109.9Q213 L244 Y245 Y248 Y252 R287 E309Q213-T250 VanDerWaalsContact CD-CG2 3.49Å; Q213-T250 HydrophobicContact CG-CG2 4.16Å; L244-T250 HydrophobicContact CD2-CG2 4.3Å; Y245-T250 VanDerWaalsContact CA-O 3.3Å; Y245-T250 WeakPolarHBondContact CA-O 3.46Å; Y245-T250 WeakPolarHBondContact CB-O 3.47Å; Y248-T250 PolarHBondContact O-N 3Å; T250-Y252 HydrophobicContact CG2-CD2 4.13Å; T250-Y252 HydrophobicContact CG2-CE2 3.7Å; T250-R287 HydrophobicContact CG2-CG 4.32Å; T250-R287 PolarHBondContact OG1-NH2 3.37Å; T250-E309 WeakPolarHBondContact CB-OE2 3.33Å; T250-E309 PolarHBondContact OG1-OE2 2.96Å
251R97.7Very high97.7Very high164 Ų16447.2 Ų47.262%0.61923%0.232SC*.PPolyproline II helixtrans-98.3121.3-176.8-64.5-176.3-175.9-74.6-4.7109.9Q213 Y245 N249Q213-R251 WeakPolarHBondContact CB-O 3.3Å; Q213-R251 PolarHBondContact NE2-O 3.1Å; Y245-R251 HydrophobicContact CD2-CG 3.68Å; Y245-R251 HydrophobicContact CE2-CG 3.72Å; Y245-R251 PolarHBondContact OH-NH2 3.35Å; N249-R251 PolarHBondContact O-N 3.24Å
252Y98.5Very high97.5Very high18 Ų1852.5 Ų52.57%0.07125%0.252CS..PPolyproline II helixtrans-102.3134170.4-80.9-126.7000109.9Q213 L244 T250 E285 L286Q213-Y252 VanDerWaalsContact C-CD1 3.5Å; Q213-Y252 HydrophobicContact CB-CD1 4.37Å; Q213-Y252 HydrophobicContact CB-CD2 3.77Å; Q213-Y252 HydrophobicContact CB-CE1 4.42Å; Q213-Y252 HydrophobicContact CB-CE2 3.83Å; Q213-Y252 HydrophobicContact CB-CG 4.05Å; Q213-Y252 HydrophobicContact CG-CD2 4.21Å; Q213-Y252 HydrophobicContact CG-CE2 3.81Å; Q213-Y252 CarbonylContact O-C 3.55Å; Q213-Y252 WeakPolarHBondContact O-CA 3.32Å; L244-Y252 HydrophobicContact CD1-CD1 4.38Å; L244-Y252 HydrophobicContact CD1-CD2 3.92Å; L244-Y252 HydrophobicContact CD1-CE1 4.17Å; L244-Y252 HydrophobicContact CD1-CE2 3.68Å; L244-Y252 HydrophobicContact CD1-CG 4.28Å; L244-Y252 HydrophobicContact CD2-CD2 3.57Å; L244-Y252 HydrophobicContact CD2-CE2 3.53Å; L244-Y252 HydrophobicContact CG-CD2 4.41Å; L244-Y252 HydrophobicContact CG-CE2 4.29Å; T250-Y252 HydrophobicContact CG2-CD2 4.13Å; T250-Y252 HydrophobicContact CG2-CE2 3.7Å; Y252-E285 WeakPolarHBondContact CE1-O 3.49Å; Y252-L286 WeakPolarHBondContact OH-CA 3.44Å
253E98.4Very high97.5Very high67 Ų6749.6 Ų49.631%0.31324%0.241SC..EExtended strand (participates in β ladder)trans-78141.3169.5-65.7-178.7-16300109.9Q213 M214 W215 L260 K290Q213-E253 PolarHBondContact O-N 3.31Å; M214-E253 CarbonylContact C-O 3.53Å; M214-E253 WeakPolarHBondContact CA-O 3.45Å; M214-E253 HydrophobicContact CG-CB 4.33Å; W215-E253 PolarHBondContact N-O 2.7Å; E253-L260 HydrophobicContact CB-CD1 4.24Å; E253-L260 HydrophobicContact CB-CD2 4.23Å; E253-K290 IonicContact OE1-NZ 3.96Å; E253-K290 PolarHBondContact OE1-NZ 3.17Å; E253-K290 IonicContact OE2-NZ 3.37Å
254V98.7Very high97.4Very high19 Ų1949.4 Ų49.412%0.11524%0.24CC..EExtended strand (participates in β ladder)trans-118.8120.7-175.7175.90000111W215 Y217 R234 A237 L238 S241W215-V254 HydrophobicContact CB-CG2 4.2Å; Y217-V254 HydrophobicContact CD1-CG1 4.43Å; Y217-V254 HydrophobicContact CE1-CG1 3.73Å; R234-V254 HydrophobicContact CG-CG1 4.33Å; R234-V254 PolarHBondContact NH1-O 3.33Å; A237-V254 HydrophobicContact CB-CG1 3.6Å; L238-V254 HydrophobicContact CD2-CB 3.98Å; L238-V254 HydrophobicContact CD2-CG1 4.15Å; L238-V254 HydrophobicContact CD2-CG2 4.04Å; L238-V254 HydrophobicContact CG-CB 4.5Å; L238-V254 HydrophobicContact CG-CG1 4.13Å; S241-V254 WeakPolarHBondContact OG-CG2 3.31Å
255G98.2Very high97.4Very high4 Ų449.6 Ų49.64%0.04124%0.241CC..EExtended strand (participates in β ladder)trans179.1-166.7-174.200000113.4W215 M216 Y217W215-G255 PolarHBondContact O-N 3.4Å; M216-G255 CarbonylContact C-O 3.6Å; M216-G255 VanDerWaalsContact CA-O 3.25Å; M216-G255 WeakPolarHBondContact CA-O 3.3Å; Y217-G255 PolarHBondContact N-O 3.08Å
256T98Very high97.3Very high0 Ų047.2 Ų47.20%023%0.232CC..  trans-88.8154.9169.166.20000110Y217 Y219 Y226 A258 D259 L260Y217-T256 HydrophobicContact CD2-CG2 4.02Å; Y217-T256 HydrophobicContact CE2-CG2 3.74Å; Y217-T256 WeakPolarHBondContact O-CA 3.5Å; Y219-T256 WeakPolarHBondContact O-CB 3.03Å; Y226-T256 HydrophobicContact CD1-CG2 3.76Å; Y226-T256 HydrophobicContact CE1-CG2 3.66Å; T256-A258 VanDerWaalsContact C-N 3.25Å; T256-A258 PolarHBondContact O-N 3.38Å; T256-D259 PolarHBondContact O-N 2.91Å; T256-D259 VanDerWaalsContact OG1-CB 3.24Å; T256-D259 WeakPolarHBondContact OG1-CB 3.3Å; T256-D259 PolarHBondContact OG1-N 3.03Å; T256-D259 PolarHBondContact OG1-OD2 3.45Å; T256-L260 WeakPolarHBondContact O-CG 3.33Å; T256-L260 PolarHBondContact O-N 3.37Å
257G95Very high97.3Very high9 Ų942.1 Ų42.19%0.09321%0.205CC..Hα-helixtrans-58-38.9175.100000113.1M216 D259 L261 Y262M216-G257 WeakPolarHBondContact SD-CA 3.21Å; G257-D259 PolarHBondContact O-N 3.29Å; G257-L261 WeakPolarHBondContact O-CA 3.3Å; G257-L261 WeakPolarHBondContact O-CB 3.39Å; G257-L261 PolarHBondContact O-N 3.39Å; G257-Y262 PolarHBondContact O-N 3.03Å
258A97Very high97.3Very high0 Ų039.6 Ų39.60%019%0.19CC..Hα-helixtrans-64.2-38.4178.200000113.8G220 R222 R223 T256 P263G220-A258 WeakPolarHBondContact O-CB 3.3Å; R222-A258 WeakPolarHBondContact O-CB 3.38Å; R223-A258 HydrophobicContact CG-CB 4.03Å; R223-A258 VanDerWaalsContact CG-O 3.24Å; R223-A258 WeakPolarHBondContact CG-O 3.13Å; R223-A258 PolarHBondContact NE-O 2.99Å; T256-A258 VanDerWaalsContact C-N 3.25Å; T256-A258 PolarHBondContact O-N 3.38Å; A258-P263 HydrophobicContact CB-CB 4.49Å; A258-P263 HydrophobicContact CB-CG 4.33Å
259D96.9Very high97.4Very high57 Ų5735.5 Ų35.531%0.30517%0.174SC..Hα-helixtrans-82.6-32.8-176.1-64.9-32000112.1R223 Q224 Y226 T256 G257R223-D259 WeakPolarHBondContact CA-OD1 3.41Å; R223-D259 WeakPolarHBondContact CB-OD1 3.44Å; Q224-D259 PolarHBondContact N-OD1 3.22Å; Y226-D259 WeakPolarHBondContact CE1-OD2 3.22Å; Y226-D259 PolarHBondContact OH-OD2 3.16Å; T256-D259 PolarHBondContact O-N 2.91Å; T256-D259 VanDerWaalsContact OG1-CB 3.24Å; T256-D259 WeakPolarHBondContact OG1-CB 3.3Å; T256-D259 PolarHBondContact OG1-N 3.03Å; T256-D259 PolarHBondContact OG1-OD2 3.45Å; G257-D259 PolarHBondContact O-N 3.29Å
260L96.3Very high97.4Very high43 Ų4330.4 Ų30.423%0.22515%0.147CC..Hα-helixtrans-87-36.5179.2-65-177.4000113.6M214 M216 E253 T256M214-L260 HydrophobicContact CB-CD1 4.15Å; M214-L260 HydrophobicContact CE-CB 4.2Å; M214-L260 HydrophobicContact CG-CD1 4.24Å; M214-L260 HydrophobicContact SD-CB 3.84Å; M214-L260 HydrophobicContact SD-CD1 4.14Å; M216-L260 HydrophobicContact CG-CD1 4.14Å; E253-L260 HydrophobicContact CB-CD1 4.24Å; E253-L260 HydrophobicContact CB-CD2 4.23Å; T256-L260 WeakPolarHBondContact O-CG 3.33Å; T256-L260 PolarHBondContact O-N 3.37Å
261L93.8Very high97.4Very high53 Ų5330.4 Ų30.428%0.27715%0.146SC..SBendtrans-117.5-97.7-178.3-63.6171.9000109.2M214 M216 G257M214-L261 HydrophobicContact CE-CD2 3.62Å; M214-L261 HydrophobicContact CE-CG 4.14Å; M214-L261 HydrophobicContact SD-CD1 4Å; M214-L261 HydrophobicContact SD-CD2 3.69Å; M214-L261 HydrophobicContact SD-CG 3.63Å; M216-L261 HydrophobicContact CE-CD1 4.05Å; M216-L261 HydrophobicContact SD-CD1 4Å; G257-L261 WeakPolarHBondContact O-CA 3.3Å; G257-L261 WeakPolarHBondContact O-CB 3.39Å; G257-L261 PolarHBondContact O-N 3.39Å
262Y95.6Very high97.5Very high122 Ų12222.6 Ų22.648%0.47812%0.116SC..  trans-154155.2-177.352.4-94.4000109.9G257 A264G257-Y262 PolarHBondContact O-N 3.03Å; Y262-A264 HydrophobicContact CE2-CB 4.4Å; Y262-A264 PolarHBondContact O-N 3.32Å
263P97.7Very high97.5Very high39 Ų3922.7 Ų22.725%0.25312%0.117SC..  trans-61.3132.9176.5-24.334.9000113V166 G220 H221 R223 A258V166-P263 HydrophobicContact CG1-CB 4.06Å; V166-P263 HydrophobicContact CG2-CB 4.12Å; G220-P263 CarbonylContact O-C 3.47Å; G220-P263 VanDerWaalsContact O-CA 3.28Å; G220-P263 WeakPolarHBondContact O-CA 3.31Å; H221-P263 WeakPolarHBondContact O-CB 3.46Å; R223-P263 HydrophobicContact CG-CG 4.31Å; A258-P263 HydrophobicContact CB-CB 4.49Å; A258-P263 HydrophobicContact CB-CG 4.33Å
264A97.2Very high97.4Very high16 Ų1621.5 Ų21.513%0.13212%0.118CC..  trans-145.9133.6175.200000111.6G220 H221 Y262G220-A264 CarbonylContact C-O 3.54Å; G220-A264 PolarHBondContact O-N 2.76Å; H221-A264 WeakPolarHBondContact CA-O 3.2Å; H221-A264 PolarHBondContact N-O 3.11Å; Y262-A264 HydrophobicContact CE2-CB 4.4Å; Y262-A264 PolarHBondContact O-N 3.32Å
265S97.5Very high97.3Very high3 Ų325.9 Ų25.92%0.02114%0.136CC..SBendtrans-98.4164.1176-70.50000112.4R157 N162 V166 G267R157-S265 WeakPolarHBondContact CD-O 3.1Å; N162-S265 WeakPolarHBondContact O-CB 3.34Å; N162-S265 PolarHBondContact O-OG 3.32Å; V166-S265 WeakPolarHBondContact O-CB 3.32Å; V166-S265 PolarHBondContact O-N 2.87Å; S265-G267 VanDerWaalsContact C-N 3.29Å; S265-G267 PolarHBondContact O-N 2.69Å
266G97.9Very high97.3Very high0 Ų026.8 Ų26.80%014%0.143CC..SBendtrans73.518.5175.700000114.7N156 R157 N158 F159 F161N156-G266 CarbonylContact C-O 3.42Å; R157-G266 CarbonylContact C-O 3.51Å; R157-G266 VanDerWaalsContact C-O 3.23Å; R157-G266 WeakPolarHBondContact CA-O 3.33Å; R157-G266 PolarHBondContact N-O 3.41Å; N158-G266 PolarHBondContact N-O 3.43Å; F159-G266 WeakPolarHBondContact CB-O 3.15Å; F159-G266 PolarHBondContact N-O 3.43Å; F159-G266 VanDerWaalsContact O-CA 3.29Å; F159-G266 WeakPolarHBondContact O-CA 3.27Å; F161-G266 PolarHBondContact O-N 3.01Å
267G98.1Very high97.2Very high2 Ų229.7 Ų29.72%0.02117%0.173CC..  trans-74.5145.9175.100000112.9N156 S265 W271N156-G267 VanDerWaalsContact OD1-CA 3.24Å; N156-G267 WeakPolarHBondContact OD1-CA 3.2Å; S265-G267 VanDerWaalsContact C-N 3.29Å; S265-G267 PolarHBondContact O-N 2.69Å; G267-W271 PolarHBondContact O-N 2.66Å; G267-W271 VanDerWaalsContact O-N 3.12Å
268S98.5Very high97.4Very high0 Ų029.3 Ų29.30%017%0.169CC..Hα-helixtrans-67.4-37.5-177.467.50000112.3N156 W271 A272N156-S268 PolarHBondContact OD1-N 3.18Å; S268-W271 PolarHBondContact O-N 3.47Å; S268-A272 VanDerWaalsContact O-CB 3.24Å; S268-A272 WeakPolarHBondContact O-CB 3.49Å; S268-A272 PolarHBondContact O-N 3.36Å
269E98.3Very high97.4Very high13 Ų1331.9 Ų31.96%0.06118%0.18CC..Hα-helixtrans-67.6-39.4-179.477.5-71.8-172.500112.2T207 P218 K273 S281 L283T207-E269 HydrophobicContact CG2-CB 4.27Å; P218-E269 HydrophobicContact CG-CG 4.31Å; P218-E269 WeakPolarHBondContact CG-O 3.43Å; E269-K273 WeakPolarHBondContact O-CB 3.38Å; E269-K273 PolarHBondContact O-N 2.85Å; E269-K273 VanDerWaalsContact O-N 3.15Å; E269-S281 WeakPolarHBondContact CA-OG 3.3Å; E269-S281 PolarHBondContact O-OG 3.5Å; E269-L283 HydrophobicContact CB-CB 4.13Å; E269-L283 HydrophobicContact CG-CB 3.87Å; E269-L283 HydrophobicContact CG-CD1 4.43Å
270D98.5Very high97.5Very high0 Ų029.7 Ų29.70%017%0.168CC..Hα-helixtrans-69.5-45.1176.8-86.6-1.2000110.9F161 P218 Y219 G220 H221 K273 A274F161-D270 HydrophobicContact CB-CB 4.43Å; F161-D270 HydrophobicContact CD1-CB 3.36Å; F161-D270 HydrophobicContact CE1-CB 3.58Å; F161-D270 WeakPolarHBondContact CE1-OD2 3.24Å; F161-D270 HydrophobicContact CG-CB 3.86Å; F161-D270 HydrophobicContact CZ-CB 4.28Å; P218-D270 WeakPolarHBondContact CA-OD1 3.22Å; P218-D270 VanDerWaalsContact CB-OD1 3.24Å; P218-D270 WeakPolarHBondContact CB-OD1 3.04Å; Y219-D270 VanDerWaalsContact CA-OD1 3.22Å; Y219-D270 WeakPolarHBondContact CA-OD1 3.17Å; Y219-D270 HydrophobicContact CD1-CB 4.34Å; G220-D270 WeakPolarHBondContact CA-OD2 3.26Å; G220-D270 VanDerWaalsContact N-CG 3.27Å; G220-D270 PolarHBondContact N-OD1 3.03Å; G220-D270 PolarHBondContact N-OD2 2.84Å; H221-D270 PolarHBondContact N-OD2 3.3Å; D270-K273 PolarHBondContact O-N 3.26Å; D270-A274 WeakPolarHBondContact O-CB 3.42Å; D270-A274 PolarHBondContact O-N 2.91Å
271W98.6Very high97.6Very high9 Ų927.7 Ų27.73%0.03416%0.157CC..Hα-helixtrans-60.4-46.7173.9168.883.5000111.6F159 F161 F183 I191 R192 I195 G267 S268 K273 A274 K275 A276F159-W271 HydrophobicContact CB-CB 3.73Å; F159-W271 HydrophobicContact CB-CG 4.06Å; F159-W271 HydrophobicContact CD1-CB 4.16Å; F159-W271 AromaticContact CD1-CD2 3.84Å; F159-W271 HydrophobicContact CD1-CD2 3.84Å; F159-W271 AromaticContact CD1-CE3 3.73Å; F159-W271 HydrophobicContact CD1-CE3 3.73Å; F159-W271 HydrophobicContact CD1-CG 4.01Å; F159-W271 HydrophobicContact CD1-CZ3 4.46Å; F159-W271 HydrophobicContact CE1-CE3 4.08Å; F159-W271 HydrophobicContact CE1-CZ3 4.44Å; F159-W271 HydrophobicContact CG-CB 4.32Å; F161-W271 HydrophobicContact CB-CB 4.14Å; F183-W271 AromaticContact CZ-CD1 3.69Å; F183-W271 HydrophobicContact CZ-CD2 4.33Å; F183-W271 AromaticContact CZ-CE2 3.83Å; F183-W271 HydrophobicContact CZ-CG 4.28Å; F183-W271 HydrophobicContact CZ-CZ2 4.43Å; F183-W271 AromaticContact CZ-NE1 3.42Å; I191-W271 HydrophobicContact CG2-CZ3 4.45Å; R192-W271 HydrophobicContact CB-CH2 4.42Å; R192-W271 HydrophobicContact CB-CZ2 4.16Å; R192-W271 HydrophobicContact CG-CZ2 3.89Å; I195-W271 HydrophobicContact CB-CH2 4.03Å; I195-W271 HydrophobicContact CD1-CH2 4.23Å; I195-W271 HydrophobicContact CD1-CZ3 3.91Å; I195-W271 HydrophobicContact CG2-CH2 3.97Å; I195-W271 HydrophobicContact CG2-CZ3 4.43Å; G267-W271 PolarHBondContact O-N 2.66Å; G267-W271 VanDerWaalsContact O-N 3.12Å; S268-W271 PolarHBondContact O-N 3.47Å; W271-K273 PolarHBondContact O-N 3.39Å; W271-A274 PolarHBondContact O-N 3.05Å; W271-K275 VanDerWaalsContact CD1-CB 3.49Å; W271-K275 HydrophobicContact CG-CB 4.23Å; W271-K275 WeakPolarHBondContact O-CA 3.33Å; W271-K275 WeakPolarHBondContact O-CB 3.4Å; W271-K275 PolarHBondContact O-N 3.35Å; W271-A276 HydrophobicContact CH2-CB 3.97Å; W271-A276 HydrophobicContact CZ2-CB 4.12Å; W271-A276 HydrophobicContact CZ3-CB 4.23Å; W271-A276 PolarHBondContact O-N 3.22Å; W271-A276 VanDerWaalsContact O-N 3.11Å
272A98.5Very high97.8Very high0 Ų025.1 Ų25.10%014%0.144CC..Hα-helixtrans-56-40.4178.500000111.3F205 S268 A276 G277 I278F205-A272 HydrophobicContact CB-CB 3.81Å; F205-A272 HydrophobicContact CD1-CB 3.7Å; F205-A272 HydrophobicContact CD2-CB 3.62Å; F205-A272 HydrophobicContact CE1-CB 4.17Å; F205-A272 HydrophobicContact CE2-CB 4.1Å; F205-A272 HydrophobicContact CG-CB 3.42Å; F205-A272 VanDerWaalsContact CG-CB 3.42Å; F205-A272 HydrophobicContact CZ-CB 4.37Å; S268-A272 VanDerWaalsContact O-CB 3.24Å; S268-A272 WeakPolarHBondContact O-CB 3.49Å; S268-A272 PolarHBondContact O-N 3.36Å; A272-A276 CarbonylContact O-C 3.58Å; A272-A276 WeakPolarHBondContact O-CB 3.26Å; A272-G277 PolarHBondContact O-N 3.02Å; A272-I278 HydrophobicContact CB-CD1 4.18Å; A272-I278 WeakPolarHBondContact O-CB 3.42Å; A272-I278 PolarHBondContact O-N 3.03Å
273K98.1Very high98Very high21 Ų2119.6 Ų19.69%0.09112%0.122CC..Hα-helixtrans-74.1-52.6178.6-178.461.5171-177.90113.7P218 Y219 D229 E269 D270 W271 I278 K279P218-K273 HydrophobicContact CB-CB 4Å; P218-K273 HydrophobicContact CB-CG 3.93Å; P218-K273 HydrophobicContact CG-CB 3.66Å; P218-K273 HydrophobicContact CG-CG 4Å; Y219-K273 HydrophobicContact CE1-CB 4.32Å; Y219-K273 HydrophobicContact CE1-CG 4.03Å; D229-K273 WeakPolarHBondContact OD1-CE 3.39Å; D229-K273 IonicContact OD1-NZ 3.81Å; D229-K273 PolarHBondContact OD1-NZ 3.33Å; D229-K273 IonicContact OD2-NZ 2.97Å; D229-K273 PolarHBondContact OD2-NZ 3.15Å; E269-K273 WeakPolarHBondContact O-CB 3.38Å; E269-K273 PolarHBondContact O-N 2.85Å; E269-K273 VanDerWaalsContact O-N 3.15Å; D270-K273 PolarHBondContact O-N 3.26Å; W271-K273 PolarHBondContact O-N 3.39Å; K273-I278 WeakPolarHBondContact CD-O 3.42Å; K273-K279 PolarHBondContact NZ-O 3.45Å
274A97.5Very high98Very high41 Ų4117.7 Ų17.734%0.33911%0.11SC..Hα-helixtrans-82.2-34.7-170.900000113.8F161 Y219 D270 W271F161-A274 HydrophobicContact CD2-CB 3.53Å; F161-A274 HydrophobicContact CE2-CB 3.36Å; F161-A274 HydrophobicContact CZ-CB 4.45Å; Y219-A274 HydrophobicContact CE1-CB 3.75Å; D270-A274 WeakPolarHBondContact O-CB 3.42Å; D270-A274 PolarHBondContact O-N 2.91Å; W271-A274 PolarHBondContact O-N 3.05Å
275K97.1Very high98.1Very high111 Ų11118 Ų1848%0.48311%0.109SC..THydrogen-bonded Turntrans-109.5-41.9-170.1-59.3-72-170.2126.90112.2D160 W271 G277D160-K275 VanDerWaalsContact O-CE 3.23Å; D160-K275 WeakPolarHBondContact O-CE 3.45Å; D160-K275 WeakPolarHBondContact O-CG 3.49Å; D160-K275 IonicContact OD1-NZ 3.68Å; D160-K275 IonicContact OD2-NZ 3.41Å; D160-K275 PolarHBondContact OD2-NZ 3.18Å; W271-K275 VanDerWaalsContact CD1-CB 3.49Å; W271-K275 HydrophobicContact CG-CB 4.23Å; W271-K275 WeakPolarHBondContact O-CA 3.33Å; W271-K275 WeakPolarHBondContact O-CB 3.4Å; W271-K275 PolarHBondContact O-N 3.35Å; K275-G277 VanDerWaalsContact C-N 3.33Å
276A97.1Very high98.2Very high23 Ų2317.9 Ų17.919%0.1911%0.108CC..SBendtrans-83.9-9.4175.400000113.4I195 W271 A272 I278I195-A276 HydrophobicContact CG2-CB 3.82Å; W271-A276 HydrophobicContact CH2-CB 3.97Å; W271-A276 HydrophobicContact CZ2-CB 4.12Å; W271-A276 HydrophobicContact CZ3-CB 4.23Å; W271-A276 PolarHBondContact O-N 3.22Å; W271-A276 VanDerWaalsContact O-N 3.11Å; A272-A276 CarbonylContact O-C 3.58Å; A272-A276 WeakPolarHBondContact O-CB 3.26Å; A276-I278 VanDerWaalsContact C-N 3.29Å; A276-I278 HydrophobicContact CB-CD1 4.16Å; A276-I278 HydrophobicContact CB-CG1 4.1Å; A276-I278 PolarHBondContact O-N 3.37Å
277G96.5Very high98.2Very high61 Ų6119.1 Ų19.163%0.62911%0.113SC*.  trans71.818.8175.500000114.5A272 K275A272-G277 PolarHBondContact O-N 3.02Å; K275-G277 VanDerWaalsContact C-N 3.33Å
278I98Very high98.2Very high2 Ų219.5 Ų19.51%0.0112%0.115CC..  trans-76126.6-177.1-58.7177.1000109.7I195 F202 V203 S204 F205 A272 K273 A276I195-I278 HydrophobicContact CG2-CD1 4Å; F202-I278 HydrophobicContact CB-CD1 3.64Å; F202-I278 HydrophobicContact CB-CG1 3.88Å; F202-I278 HydrophobicContact CG-CD1 4.36Å; V203-I278 WeakPolarHBondContact O-CG2 3.23Å; S204-I278 VanDerWaalsContact C-CG2 3.48Å; F205-I278 HydrophobicContact CB-CB 4.47Å; F205-I278 HydrophobicContact CB-CD1 3.99Å; F205-I278 HydrophobicContact CB-CG2 3.93Å; F205-I278 HydrophobicContact CD2-CD1 4.15Å; F205-I278 HydrophobicContact CG-CD1 4.5Å; A272-I278 HydrophobicContact CB-CD1 4.18Å; A272-I278 WeakPolarHBondContact O-CB 3.42Å; A272-I278 PolarHBondContact O-N 3.03Å; K273-I278 WeakPolarHBondContact CD-O 3.42Å; A276-I278 VanDerWaalsContact C-N 3.29Å; A276-I278 HydrophobicContact CB-CD1 4.16Å; A276-I278 HydrophobicContact CB-CG1 4.1Å; A276-I278 PolarHBondContact O-N 3.37Å
279K97.5Very high98.1Very high53 Ų5322.6 Ų22.623%0.2313%0.129CC..SBendtrans-67.6-57.1-172.3-177179.7177.3-174.90112.4V203 L233 K273 S281 T324V203-K279 PolarHBondContact O-N 3.01Å; L233-K279 WeakPolarHBondContact CD2-O 3.2Å; K273-K279 PolarHBondContact NZ-O 3.45Å; K279-S281 PolarHBondContact O-N 3.36Å; K279-T324 HydrophobicContact CD-CG2 3.99Å; K279-T324 PolarHBondContact NZ-OG1 3.19Å
280Y98.6Very high97.9Very high12 Ų1225.8 Ų25.85%0.04714%0.143CC..EExtended strand (participates in β ladder)trans-9787.7-176.9-64.8-71.3000109.9V203 S204 F205 L233 V236 Y282 A320 V321 T324V203-Y280 HydrophobicContact CG1-CD2 4.11Å; V203-Y280 HydrophobicContact CG1-CE2 4.41Å; V203-Y280 PolarHBondContact O-N 2.9Å; S204-Y280 CarbonylContact C-O 3.47Å; S204-Y280 WeakPolarHBondContact CA-O 3.48Å; S204-Y280 PolarHBondContact OG-O 3.48Å; F205-Y280 PolarHBondContact N-O 3.37Å; L233-Y280 HydrophobicContact CD2-CD1 4.19Å; V236-Y280 HydrophobicContact CG2-CD1 4.39Å; V236-Y280 HydrophobicContact CG2-CE1 3.87Å; Y280-Y282 HydrophobicContact CD1-CE2 4.4Å; Y280-A320 HydrophobicContact CE1-CB 4.06Å; Y280-A320 HydrophobicContact CE2-CB 4.17Å; Y280-V321 HydrophobicContact CD2-CG2 3.99Å; Y280-T324 WeakPolarHBondContact CE2-OG1 3.13Å; Y280-T324 PolarHBondContact OH-OG1 3.33Å
281S98.7Very high97.6Very high0 Ų031.9 Ų31.90%018%0.175CC..EExtended strand (participates in β ladder)trans-107.5129.8177.8-168.90000110.4F205 P218 E269 K279F205-S281 CarbonylContact O-C 3.59Å; F205-S281 VanDerWaalsContact O-CA 3.28Å; F205-S281 WeakPolarHBondContact O-CA 3.2Å; P218-S281 WeakPolarHBondContact CD-O 3.26Å; E269-S281 WeakPolarHBondContact CA-OG 3.3Å; E269-S281 PolarHBondContact O-OG 3.5Å; K279-S281 PolarHBondContact O-N 3.36Å
282Y98.9Very high97.4Very high0 Ų033 Ų330%018%0.184CC..EExtended strand (participates in β ladder)trans-141.3144.3-176.7-60.4-71.2000112.2F205 I206 T207 W215 M216 Y217 L233 V236 A237 Y280 V317F205-Y282 PolarHBondContact O-N 2.99Å; I206-Y282 WeakPolarHBondContact CA-O 3.47Å; T207-Y282 PolarHBondContact N-O 3.43Å; W215-Y282 AromaticContact CD1-CD1 3.58Å; W215-Y282 AromaticContact NE1-CD1 3.13Å; W215-Y282 AromaticContact NE1-CE1 3.61Å; W215-Y282 AromaticContact NE1-CG 3.37Å; M216-Y282 CarbonylContact O-C 3.59Å; M216-Y282 VanDerWaalsContact O-CA 3.24Å; M216-Y282 WeakPolarHBondContact O-CA 3.18Å; Y217-Y282 HydrophobicContact CD1-CE1 4.41Å; L233-Y282 WeakPolarHBondContact CA-OH 3.38Å; L233-Y282 HydrophobicContact CB-CE1 4.39Å; L233-Y282 HydrophobicContact CD2-CE1 4.04Å; L233-Y282 HydrophobicContact CD2-CE2 4.43Å; L233-Y282 PolarHBondContact O-OH 2.82Å; V236-Y282 WeakPolarHBondContact CB-OH 3.14Å; V236-Y282 HydrophobicContact CG1-CE2 4.37Å; A237-Y282 HydrophobicContact CB-CE1 3.92Å; Y280-Y282 HydrophobicContact CD1-CE2 4.4Å; Y282-V317 HydrophobicContact CD2-CG1 4.37Å; Y282-V317 HydrophobicContact CD2-CG2 4.18Å; Y282-V317 HydrophobicContact CE2-CG1 4.1Å; Y282-V317 HydrophobicContact CE2-CG2 4Å
283L98.7Very high97.2Very high5 Ų539.1 Ų39.13%0.02623%0.227CC..EExtended strand (participates in β ladder)trans-115.3126.4166.4-176.6168.5000107.7T207 H209 M216 E269 E285T207-L283 HydrophobicContact CG2-CB 3.89Å; T207-L283 HydrophobicContact CG2-CD1 4.42Å; T207-L283 HydrophobicContact CG2-CG 3.89Å; T207-L283 WeakPolarHBondContact O-CA 3.29Å; H209-L283 HydrophobicContact CB-CD2 4.01Å; M216-L283 WeakPolarHBondContact CA-O 3.24Å; M216-L283 HydrophobicContact CB-CB 4.35Å; M216-L283 WeakPolarHBondContact CB-O 3.22Å; M216-L283 HydrophobicContact CE-CB 4.45Å; M216-L283 HydrophobicContact CE-CD1 4.05Å; M216-L283 HydrophobicContact CE-CD2 3.26Å; M216-L283 HydrophobicContact CE-CG 4.08Å; M216-L283 PolarHBondContact N-O 3.31Å; M216-L283 PolarHBondContact O-N 3.31Å; E269-L283 HydrophobicContact CB-CB 4.13Å; E269-L283 HydrophobicContact CG-CB 3.87Å; E269-L283 HydrophobicContact CG-CD1 4.43Å; L283-E285 HydrophobicContact CD2-CG 3.93Å
284L98.9Very high96.9Very high0 Ų041.9 Ų41.90%024%0.24CC..EExtended strand (participates in β ladder)trans-109118.5178.3-81.662000110.1I206 T207 L208 H209 M214 W215 L286 T310I206-L284 HydrophobicContact CG2-CD1 4.1Å; T207-L284 PolarHBondContact O-N 3.21Å; L208-L284 HydrophobicContact CD2-CB 3.99Å; L208-L284 HydrophobicContact CD2-CD2 3.91Å; L208-L284 HydrophobicContact CD2-CG 4.48Å; H209-L284 CarbonylContact C-O 3.45Å; H209-L284 WeakPolarHBondContact CA-O 3.32Å; H209-L284 WeakPolarHBondContact CB-O 3.49Å; H209-L284 PolarHBondContact N-O 3.15Å; H209-L284 VanDerWaalsContact O-O 3.05Å; M214-L284 CarbonylContact O-C 3.53Å; M214-L284 WeakPolarHBondContact O-CA 3.27Å; W215-L284 HydrophobicContact CD2-CD1 3.99Å; W215-L284 HydrophobicContact CD2-CD2 4.32Å; W215-L284 HydrophobicContact CD2-CG 4.04Å; W215-L284 HydrophobicContact CE3-CD1 4.38Å; W215-L284 HydrophobicContact CE3-CD2 3.88Å; W215-L284 HydrophobicContact CE3-CG 4.01Å; W215-L284 HydrophobicContact CG-CD1 4.32Å; W215-L284 HydrophobicContact CG-CG 4.47Å; W215-L284 HydrophobicContact CH2-CD1 4.42Å; W215-L284 HydrophobicContact CH2-CD2 3.85Å; W215-L284 HydrophobicContact CZ2-CD1 4.06Å; W215-L284 HydrophobicContact CZ2-CD2 4.32Å; W215-L284 HydrophobicContact CZ3-CD2 3.63Å; W215-L284 HydrophobicContact CZ3-CG 4.25Å; L284-L286 HydrophobicContact CB-CD2 4.36Å; L284-L286 PolarHBondContact O-N 3.15Å; L284-T310 HydrophobicContact CD2-CG2 3.89Å
285E98.7Very high96.7Very high23 Ų2340.2 Ų40.211%0.10723%0.227CC..EExtended strand (participates in β ladder)trans-87.1103.8165.6-68.6-71.4177.900108S210 Y211 Q213 M214 M216 Y252 L283S210-E285 WeakPolarHBondContact CA-OE2 3.35Å; S210-E285 PolarHBondContact N-OE2 2.85Å; Y211-E285 PolarHBondContact N-OE2 2.94Å; Y211-E285 VanDerWaalsContact N-OE2 3.09Å; Q213-E285 CarbonylContact C-O 3.29Å; Q213-E285 WeakPolarHBondContact CA-O 3.5Å; Q213-E285 PolarHBondContact N-O 3.09Å; M214-E285 HydrophobicContact CB-CB 4.04Å; M214-E285 HydrophobicContact CB-CG 4.41Å; M214-E285 PolarHBondContact N-O 3Å; M214-E285 PolarHBondContact O-N 2.74Å; M216-E285 HydrophobicContact CE-CG 3.74Å; Y252-E285 WeakPolarHBondContact CE1-O 3.49Å; L283-E285 HydrophobicContact CD2-CG 3.93Å
286L98.8Very high96.7Very high0 Ų037 Ų370%021%0.213CC..EExtended strand (participates in β ladder)trans-70.6-171.3-175.6-62.5175.9000112.4I74 A75 T78 L208 H209 Y211 S212 Q213 Y252 L284 T306 T310I74-L286 HydrophobicContact CG2-CB 4.18Å; I74-L286 HydrophobicContact CG2-CD1 4.29Å; A75-L286 HydrophobicContact CB-CD1 4.22Å; T78-L286 HydrophobicContact CG2-CD1 4.12Å; L208-L286 HydrophobicContact CB-CD1 4.4Å; H209-L286 VanDerWaalsContact O-CB 3.3Å; H209-L286 WeakPolarHBondContact O-CB 3.19Å; H209-L286 WeakPolarHBondContact O-CG 3.48Å; H209-L286 PolarHBondContact O-N 3.46Å; Y211-L286 WeakPolarHBondContact CA-O 3.25Å; S212-L286 PolarHBondContact N-O 3.28Å; S212-L286 VanDerWaalsContact N-O 3.08Å; Q213-L286 PolarHBondContact N-O 3.49Å; Q213-L286 VanDerWaalsContact N-O 3.15Å; Y252-L286 WeakPolarHBondContact OH-CA 3.44Å; L284-L286 HydrophobicContact CB-CD2 4.36Å; L284-L286 PolarHBondContact O-N 3.15Å; L286-T306 HydrophobicContact CB-CG2 4.05Å; L286-T306 HydrophobicContact CD1-CG2 4.27Å; L286-T306 HydrophobicContact CD2-CG2 4.26Å; L286-T306 HydrophobicContact CG-CG2 4.43Å; L286-T310 HydrophobicContact CD2-CG2 3.94Å; L286-T310 WeakPolarHBondContact CD2-OG1 3.35Å
287R98.5Very high96.7Very high26 Ų2640.5 Ų40.510%0.09823%0.228CC..SBendtrans-57.5153.5174.3-68.7-162.4-171.1-160.86.2112.4Q213 T250 L298 T306 E309Q213-R287 HydrophobicContact CG-CG 4.38Å; T250-R287 HydrophobicContact CG2-CG 4.32Å; T250-R287 PolarHBondContact OG1-NH2 3.37Å; R287-L298 HydrophobicContact CB-CD1 4.32Å; R287-L298 HydrophobicContact CB-CD2 3.94Å; R287-T306 HydrophobicContact CB-CG2 4.28Å; R287-T306 WeakPolarHBondContact CD-OG1 3.27Å; R287-T306 HydrophobicContact CG-CG2 4.19Å; R287-E309 IonicContact CZ-OE1 3.98Å; R287-E309 IonicContact CZ-OE2 3.35Å; R287-E309 IonicContact NE-OE1 3.8Å; R287-E309 PolarHBondContact NE-OE1 3.35Å; R287-E309 IonicContact NE-OE2 2.87Å; R287-E309 VanDerWaalsContact NH2-CD 3.33Å; R287-E309 IonicContact NH2-OE1 3.52Å; R287-E309 PolarHBondContact NH2-OE1 2.73Å; R287-E309 IonicContact NH2-OE2 3.79Å; R287-E309 PolarHBondContact NH2-OE2 3.25Å
288P97.9Very high96.6Very high9 Ų939.2 Ų39.26%0.05821%0.207CC..SBendcis-85.4-178.8-1.836-36.3000113.4Y211 S212 Q294 G295 L298Y211-P288 VanDerWaalsContact CB-CD 3.46Å; Y211-P288 HydrophobicContact CD2-CG 4.03Å; Y211-P288 HydrophobicContact CG-CG 4.32Å; S212-P288 CarbonylContact C-O 3.59Å; S212-P288 PolarHBondContact N-O 3.28Å; P288-Q294 HydrophobicContact CG-CB 4.29Å; P288-G295 WeakPolarHBondContact CD-O 3.17Å; P288-G295 WeakPolarHBondContact CG-O 3.32Å; P288-L298 HydrophobicContact CB-CD1 3.92Å; P288-L298 HydrophobicContact CG-CD1 4.13Å
289H96.4Very high96.4Very high65 Ų6543.1 Ų43.130%0.30123%0.228SC..  trans-57.2149169.5-172.1-104.1000111.2Q213 D291 S292Q213-H289 VanDerWaalsContact OE1-N 3.14Å; H289-D291 IonicContact CE1-OD2 3.64Å; H289-D291 PolarHBondContact CE1-OD2 3.48Å; H289-D291 PolarHBondContact ND1-N 3.09Å; H289-D291 IonicContact ND1-OD2 3.1Å; H289-D291 PolarHBondContact ND1-OD2 3.18Å; H289-D291 PolarHBondContact O-N 3.25Å; H289-S292 WeakPolarHBondContact O-CB 3.08Å; H289-S292 PolarHBondContact O-N 2.71Å
290K94.2Very high96.2Very high80 Ų8048.5 Ų48.535%0.34825%0.254SS..THydrogen-bonded Turntrans-52.2-29.9-177.270.3-167.7179.6-162.50115.2S212 M214 E253 S292S212-K290 PolarHBondContact O-N 3.46Å; M214-K290 HydrophobicContact CE-CD 4.15Å; E253-K290 IonicContact OE1-NZ 3.96Å; E253-K290 PolarHBondContact OE1-NZ 3.17Å; E253-K290 IonicContact OE2-NZ 3.37Å; K290-S292 VanDerWaalsContact C-N 3.35Å
291D93.7Very high96Very high129 Ų12951.4 Ų51.469%0.6928%0.276SS*.THydrogen-bonded Turntrans-89.12.7-179.7-56.4-42.7000113.7H289H289-D291 IonicContact CE1-OD2 3.64Å; H289-D291 PolarHBondContact CE1-OD2 3.48Å; H289-D291 PolarHBondContact ND1-N 3.09Å; H289-D291 IonicContact ND1-OD2 3.1Å; H289-D291 PolarHBondContact ND1-OD2 3.18Å; H289-D291 PolarHBondContact O-N 3.25Å
292S94.4Very high96Very high32 Ų3253.9 Ų53.922%0.22429%0.288CS..  trans-74.4131.5180179.40000111.5H289 K290 Q294 G295H289-S292 WeakPolarHBondContact O-CB 3.08Å; H289-S292 PolarHBondContact O-N 2.71Å; K290-S292 VanDerWaalsContact C-N 3.35Å; S292-Q294 PolarHBondContact O-N 2.84Å; S292-Q294 VanDerWaalsContact O-N 3.15Å; S292-Q294 PolarHBondContact OG-N 3.35Å; S292-G295 PolarHBondContact O-N 3.1Å
293S92.6Very high95.8Very high128 Ų12856.5 Ų56.590%0.89530%0.301SS*.THydrogen-bonded Turntrans-65.4-14173.762.60000113.9
294Q91.8Very high95.6Very high79 Ų7960.6 Ų60.637%0.36932%0.322SS..THydrogen-bonded Turntrans-73.9-36.7177.9-70-17954.300112.2P288 S292 F296 L297P288-Q294 HydrophobicContact CG-CB 4.29Å; S292-Q294 PolarHBondContact O-N 2.84Å; S292-Q294 VanDerWaalsContact O-N 3.15Å; S292-Q294 PolarHBondContact OG-N 3.35Å; Q294-F296 PolarHBondContact O-N 3.5Å; Q294-L297 WeakPolarHBondContact O-CA 3.35Å; Q294-L297 WeakPolarHBondContact O-CB 3.33Å; Q294-L297 PolarHBondContact O-N 3.14Å
295G94.9Very high95.5Very high6 Ų661.8 Ų61.86%0.06233%0.33CS..THydrogen-bonded Turntrans45.5-120.3-174.200000113.7Y211 P288 S292 L297Y211-G295 VanDerWaalsContact CD1-C 3.41Å; P288-G295 WeakPolarHBondContact CD-O 3.17Å; P288-G295 WeakPolarHBondContact CG-O 3.32Å; S292-G295 PolarHBondContact O-N 3.1Å; G295-L297 PolarHBondContact O-N 2.93Å
296F96.6Very high95.5Very high44 Ų4460.7 Ų60.719%0.19333%0.325CS..THydrogen-bonded Turntrans-74.7-7.8178.4-58.4-78.2000114.7R71 E72 R128 L129 S210 Y211 Q294 L298R71-F296 HydrophobicContact CG-CD1 3.78Å; R71-F296 HydrophobicContact CG-CE1 3.91Å; R71-F296 HydrophobicContact CG-CG 4.13Å; R71-F296 HydrophobicContact CG-CZ 4.44Å; E72-F296 HydrophobicContact CG-CD1 3.74Å; E72-F296 HydrophobicContact CG-CE1 3.61Å; R128-F296 PolarHBondContact NH2-O 3.25Å; L129-F296 HydrophobicContact CD2-CB 4.1Å; S210-F296 WeakPolarHBondContact O-CE1 3.37Å; Y211-F296 AromaticContact CD1-CD1 3.97Å; Y211-F296 HydrophobicContact CD1-CD1 3.97Å; Y211-F296 HydrophobicContact CD1-CD2 4.2Å; Y211-F296 AromaticContact CD1-CE1 3.99Å; Y211-F296 HydrophobicContact CD1-CE1 3.99Å; Y211-F296 HydrophobicContact CD1-CE2 4.17Å; Y211-F296 HydrophobicContact CD1-CG 4.09Å; Y211-F296 HydrophobicContact CD1-CZ 4.04Å; Y211-F296 HydrophobicContact CE1-CD1 4.4Å; Y211-F296 AromaticContact CE1-CD2 3.82Å; Y211-F296 HydrophobicContact CE1-CD2 3.82Å; Y211-F296 HydrophobicContact CE1-CE1 4.32Å; Y211-F296 AromaticContact CE1-CE2 3.68Å; Y211-F296 HydrophobicContact CE1-CE2 3.68Å; Y211-F296 HydrophobicContact CE1-CG 4.17Å; Y211-F296 AromaticContact CE1-CZ 3.92Å; Y211-F296 HydrophobicContact CE1-CZ 3.92Å; Q294-F296 PolarHBondContact O-N 3.5Å; F296-L298 PolarHBondContact O-N 3.05Å
297L95.8Very high95.5Very high96 Ų9660.7 Ų60.750%0.50333%0.325SS..SBendtrans-101.356.6178.1-56.8-179.9000110R128 L129 Q294 G295R128-L297 HydrophobicContact CG-CD2 3.72Å; L129-L297 HydrophobicContact CD2-CD2 4.13Å; L129-L297 HydrophobicContact CD2-CG 4.38Å; Q294-L297 WeakPolarHBondContact O-CA 3.35Å; Q294-L297 WeakPolarHBondContact O-CB 3.33Å; Q294-L297 PolarHBondContact O-N 3.14Å; G295-L297 PolarHBondContact O-N 2.93Å
298L94.8Very high95.4Very high34 Ų3463.9 Ų63.918%0.17834%0.339CS..  trans-69.2135.3179.5-17470.2000111I74 R287 P288 F296 Q302I74-L298 HydrophobicContact CB-CD2 4.13Å; I74-L298 HydrophobicContact CD1-CD2 3.94Å; I74-L298 HydrophobicContact CG1-CD2 3.74Å; R287-L298 HydrophobicContact CB-CD1 4.32Å; R287-L298 HydrophobicContact CB-CD2 3.94Å; P288-L298 HydrophobicContact CB-CD1 3.92Å; P288-L298 HydrophobicContact CG-CD1 4.13Å; F296-L298 PolarHBondContact O-N 3.05Å; L298-Q302 HydrophobicContact CD1-CB 3.89Å; L298-Q302 HydrophobicContact CD1-CG 3.85Å; L298-Q302 HydrophobicContact CD2-CB 3.75Å; L298-Q302 HydrophobicContact CG-CB 3.7Å; L298-Q302 HydrophobicContact CG-CG 4.13Å
299D94.1Very high95.5Very high85 Ų8563.4 Ų63.446%0.45534%0.336SS..  trans-60.1142.8179-173.6-93.3000113.2S301 Q302D299-S301 PolarHBondContact O-N 3.37Å; D299-S301 WeakPolarHBondContact OD1-CB 3.1Å; D299-S301 PolarHBondContact OD1-N 2.86Å; D299-S301 PolarHBondContact OD1-OG 2.73Å; D299-Q302 HydrophobicContact CB-CG 4.31Å; D299-Q302 VanDerWaalsContact O-CB 3.28Å; D299-Q302 WeakPolarHBondContact O-CB 3.28Å; D299-Q302 PolarHBondContact O-N 3.21Å
300E93Very high95.6Very high165 Ų16560.3 Ų60.377%0.77132%0.322SS*.G310 helixtrans-58.3-31.6-178.3-67.3-179-173.800113Q302 I303E300-Q302 PolarHBondContact O-N 3.33Å; E300-Q302 VanDerWaalsContact O-N 3.08Å; E300-I303 HydrophobicContact CB-CD1 4.28Å; E300-I303 HydrophobicContact CG-CD1 4.44Å; E300-I303 WeakPolarHBondContact O-CB 3.24Å; E300-I303 WeakPolarHBondContact O-CG1 3.17Å; E300-I303 PolarHBondContact O-N 2.75Å; E300-I303 VanDerWaalsContact O-N 3.09Å
301S95.8Very high95.8Very high74 Ų7456.7 Ų56.752%0.51731%0.306SS..G310 helixtrans-62.4-16.8176.270.50000113.3D299 P305D299-S301 PolarHBondContact O-N 3.37Å; D299-S301 WeakPolarHBondContact OD1-CB 3.1Å; D299-S301 PolarHBondContact OD1-N 2.86Å; D299-S301 PolarHBondContact OD1-OG 2.73Å; S301-P305 WeakPolarHBondContact O-CD 3.4Å; S301-P305 VanDerWaalsContact O-CG 3.31Å; S301-P305 WeakPolarHBondContact O-CG 3.33Å
302Q96.9Very high96Very high52 Ų5253.5 Ų53.524%0.24329%0.287CS..G310 helixtrans-90.4-9179.6-56.9-66.8-71.700113.1L298 D299 E300 T306L298-Q302 HydrophobicContact CD1-CB 3.89Å; L298-Q302 HydrophobicContact CD1-CG 3.85Å; L298-Q302 HydrophobicContact CD2-CB 3.75Å; L298-Q302 HydrophobicContact CG-CB 3.7Å; L298-Q302 HydrophobicContact CG-CG 4.13Å; D299-Q302 HydrophobicContact CB-CG 4.31Å; D299-Q302 VanDerWaalsContact O-CB 3.28Å; D299-Q302 WeakPolarHBondContact O-CB 3.28Å; D299-Q302 PolarHBondContact O-N 3.21Å; E300-Q302 PolarHBondContact O-N 3.33Å; E300-Q302 VanDerWaalsContact O-N 3.08Å; Q302-T306 VanDerWaalsContact O-CB 3.29Å; Q302-T306 WeakPolarHBondContact O-CB 3.42Å; Q302-T306 PolarHBondContact O-N 3.32Å; Q302-T306 PolarHBondContact O-OG1 3.28Å
303I94.7Very high96.2Very high55 Ų5552 Ų5228%0.28228%0.276SS..Hα-helixtrans-60.5-59.2-177.6-66.2170.4000111.2I74 I81 E300 T306 G307I74-I303 HydrophobicContact CD1-CB 4.32Å; I74-I303 HydrophobicContact CD1-CG1 4.13Å; I81-I303 HydrophobicContact CD1-CG2 4.17Å; E300-I303 HydrophobicContact CB-CD1 4.28Å; E300-I303 HydrophobicContact CG-CD1 4.44Å; E300-I303 WeakPolarHBondContact O-CB 3.24Å; E300-I303 WeakPolarHBondContact O-CG1 3.17Å; E300-I303 PolarHBondContact O-N 2.75Å; E300-I303 VanDerWaalsContact O-N 3.09Å; I303-T306 PolarHBondContact O-N 3.23Å; I303-G307 PolarHBondContact O-N 3.29Å; I303-G307 VanDerWaalsContact O-N 3.11Å
304I95.5Very high96.5Very high91 Ų9145.9 Ų45.947%0.46723%0.233SC..Hα-helixtrans-64.2-45.6-178.9-58.9-61.9000111.9I81 T306 G307 K308I81-I304 HydrophobicContact CD1-CD1 3.99Å; I81-I304 HydrophobicContact CG1-CD1 4.37Å; I304-T306 VanDerWaalsContact C-N 3.34Å; I304-T306 PolarHBondContact O-N 2.66Å; I304-G307 PolarHBondContact O-N 3.15Å; I304-K308 HydrophobicContact CG2-CD 3.96Å; I304-K308 HydrophobicContact CG2-CG 4.22Å; I304-K308 WeakPolarHBondContact O-CG 3.24Å; I304-K308 PolarHBondContact O-N 3.3Å
305P97.6Very high96.9Very high25 Ų2543.8 Ų43.816%0.16222%0.222CC..Hα-helixtrans-56.1-44.2175.4-29.436.5000114Y248 S301 K308 E309Y248-P305 HydrophobicContact CD2-CB 3.93Å; Y248-P305 VanDerWaalsContact CE2-CA 3.47Å; Y248-P305 HydrophobicContact CE2-CB 3.71Å; Y248-P305 WeakPolarHBondContact CE2-O 3.38Å; S301-P305 WeakPolarHBondContact O-CD 3.4Å; S301-P305 VanDerWaalsContact O-CG 3.31Å; S301-P305 WeakPolarHBondContact O-CG 3.33Å; P305-K308 PolarHBondContact O-N 3.06Å; P305-E309 VanDerWaalsContact O-CG 3.3Å; P305-E309 WeakPolarHBondContact O-CG 3.28Å; P305-E309 PolarHBondContact O-N 3.19Å; P305-E309 VanDerWaalsContact O-N 3.11Å
306T98.3Very high97Very high0 Ų044 Ų440%022%0.223CC..Hα-helixtrans-63.3-43.9179.3-54.40000111.1I74 L286 R287 Q302 I303 I304 E309 T310I74-T306 HydrophobicContact CD1-CG2 4.17Å; I74-T306 HydrophobicContact CG1-CG2 3.74Å; L286-T306 HydrophobicContact CB-CG2 4.05Å; L286-T306 HydrophobicContact CD1-CG2 4.27Å; L286-T306 HydrophobicContact CD2-CG2 4.26Å; L286-T306 HydrophobicContact CG-CG2 4.43Å; R287-T306 HydrophobicContact CB-CG2 4.28Å; R287-T306 WeakPolarHBondContact CD-OG1 3.27Å; R287-T306 HydrophobicContact CG-CG2 4.19Å; Q302-T306 VanDerWaalsContact O-CB 3.29Å; Q302-T306 WeakPolarHBondContact O-CB 3.42Å; Q302-T306 PolarHBondContact O-N 3.32Å; Q302-T306 PolarHBondContact O-OG1 3.28Å; I303-T306 PolarHBondContact O-N 3.23Å; I304-T306 VanDerWaalsContact C-N 3.34Å; I304-T306 PolarHBondContact O-N 2.66Å; T306-E309 WeakPolarHBondContact O-CG 3.41Å; T306-T310 VanDerWaalsContact O-CB 3.22Å; T306-T310 WeakPolarHBondContact O-CB 3.23Å; T306-T310 PolarHBondContact O-N 3.29Å; T306-T310 VanDerWaalsContact O-N 3.1Å; T306-T310 PolarHBondContact O-OG1 2.71Å
307G97.6Very high97.1Very high0 Ų042 Ų420%021%0.214CC..Hα-helixtrans-63.1-47.5178.300000113.1I303 I304 T310 W311I303-G307 PolarHBondContact O-N 3.29Å; I303-G307 VanDerWaalsContact O-N 3.11Å; I304-G307 PolarHBondContact O-N 3.15Å; G307-T310 PolarHBondContact O-N 3.12Å; G307-W311 PolarHBondContact O-N 3.49Å
308K97.9Very high97.3Very high92 Ų9237.4 Ų37.440%0.419%0.19SC..Hα-helixtrans-63.3-44.8-178.2-74.6-172.3173.6-170.40113.3Y248 I304 P305 E312Y248-K308 HydrophobicContact CE2-CB 4.3Å; I304-K308 HydrophobicContact CG2-CD 3.96Å; I304-K308 HydrophobicContact CG2-CG 4.22Å; I304-K308 WeakPolarHBondContact O-CG 3.24Å; I304-K308 PolarHBondContact O-N 3.3Å; P305-K308 PolarHBondContact O-N 3.06Å; K308-E312 PolarHBondContact O-N 2.75Å
309E98.5Very high97.4Very high0 Ų039 Ų390%020%0.199CC..Hα-helixtrans-70.3-36.2178.873.1-176.8-172.800112.1L244 V247 Y248 T250 R287 P305 T306 W311 E312 G313L244-E309 WeakPolarHBondContact CA-O 3.29Å; L244-E309 WeakPolarHBondContact CB-O 3.49Å; L244-E309 HydrophobicContact CD1-CG 4.17Å; L244-E309 HydrophobicContact CD2-CB 4.07Å; L244-E309 HydrophobicContact CD2-CG 3.82Å; L244-E309 HydrophobicContact CG-CB 3.76Å; L244-E309 HydrophobicContact CG-CG 3.68Å; L244-E309 WeakPolarHBondContact CG-O 3.42Å; V247-E309 HydrophobicContact CB-CB 3.96Å; V247-E309 HydrophobicContact CG1-CB 4.37Å; V247-E309 HydrophobicContact CG2-CB 4.19Å; Y248-E309 HydrophobicContact CD2-CB 4.05Å; T250-E309 WeakPolarHBondContact CB-OE2 3.33Å; T250-E309 PolarHBondContact OG1-OE2 2.96Å; R287-E309 IonicContact CZ-OE1 3.98Å; R287-E309 IonicContact CZ-OE2 3.35Å; R287-E309 IonicContact NE-OE1 3.8Å; R287-E309 PolarHBondContact NE-OE1 3.35Å; R287-E309 IonicContact NE-OE2 2.87Å; R287-E309 VanDerWaalsContact NH2-CD 3.33Å; R287-E309 IonicContact NH2-OE1 3.52Å; R287-E309 PolarHBondContact NH2-OE1 2.73Å; R287-E309 IonicContact NH2-OE2 3.79Å; R287-E309 PolarHBondContact NH2-OE2 3.25Å; P305-E309 VanDerWaalsContact O-CG 3.3Å; P305-E309 WeakPolarHBondContact O-CG 3.28Å; P305-E309 PolarHBondContact O-N 3.19Å; P305-E309 VanDerWaalsContact O-N 3.11Å; T306-E309 WeakPolarHBondContact O-CG 3.41Å; E309-W311 VanDerWaalsContact C-N 3.32Å; E309-W311 PolarHBondContact O-N 2.83Å; E309-E312 PolarHBondContact O-N 2.96Å; E309-G313 PolarHBondContact O-N 2.79Å
310T98.8Very high97.6Very high0 Ų035.1 Ų35.10%018%0.179CC..Hα-helixtrans-65.3-39.4178-58.20000110.7T78 L208 L284 L286 T306 G307 E312 G313 I314T78-T310 HydrophobicContact CG2-CG2 3.86Å; L208-T310 HydrophobicContact CD2-CG2 4.41Å; L284-T310 HydrophobicContact CD2-CG2 3.89Å; L286-T310 HydrophobicContact CD2-CG2 3.94Å; L286-T310 WeakPolarHBondContact CD2-OG1 3.35Å; T306-T310 VanDerWaalsContact O-CB 3.22Å; T306-T310 WeakPolarHBondContact O-CB 3.23Å; T306-T310 PolarHBondContact O-N 3.29Å; T306-T310 VanDerWaalsContact O-N 3.1Å; T306-T310 PolarHBondContact O-OG1 2.71Å; G307-T310 PolarHBondContact O-N 3.12Å; T310-E312 VanDerWaalsContact C-N 3.35Å; T310-E312 PolarHBondContact O-N 3.34Å; T310-G313 WeakPolarHBondContact O-CA 3.34Å; T310-G313 PolarHBondContact O-N 2.68Å; T310-G313 VanDerWaalsContact O-N 3.12Å; T310-I314 HydrophobicContact CG2-CD1 3.85Å; T310-I314 HydrophobicContact CG2-CG1 4.39Å; T310-I314 WeakPolarHBondContact O-CG1 3.19Å; T310-I314 PolarHBondContact O-N 3.32Å
311W98.5Very high97.8Very high3 Ų327.3 Ų27.31%0.01114%0.142CC..Hα-helixtrans-56.2-46.6173.9174.7-124.3000112.2I82 E85 L86 V96 Y99 W105 G307 E309 G313 I314 R315I82-W311 HydrophobicContact CB-CE3 4.46Å; I82-W311 HydrophobicContact CG1-CE3 4.25Å; I82-W311 HydrophobicContact CG2-CE3 3.79Å; I82-W311 HydrophobicContact CG2-CZ3 3.86Å; E85-W311 HydrophobicContact CB-CD2 4.03Å; E85-W311 HydrophobicContact CB-CG 4.13Å; E85-W311 HydrophobicContact CB-CZ2 4.39Å; E85-W311 HydrophobicContact CG-CB 4.41Å; E85-W311 HydrophobicContact CG-CD2 4.36Å; E85-W311 HydrophobicContact CG-CG 3.92Å; L86-W311 HydrophobicContact CD2-CH2 3.56Å; L86-W311 HydrophobicContact CD2-CZ2 4.33Å; L86-W311 HydrophobicContact CD2-CZ3 4.25Å; L86-W311 HydrophobicContact CG-CH2 3.93Å; L86-W311 HydrophobicContact CG-CZ3 4.28Å; V96-W311 HydrophobicContact CG2-CZ2 4.1Å; Y99-W311 HydrophobicContact CD2-CH2 4.13Å; Y99-W311 HydrophobicContact CD2-CZ2 4.15Å; W105-W311 HydrophobicContact CH2-CH2 4.27Å; W105-W311 AromaticContact CH2-CZ3 3.97Å; W105-W311 HydrophobicContact CH2-CZ3 3.97Å; W105-W311 HydrophobicContact CZ2-CH2 4.43Å; W105-W311 HydrophobicContact CZ3-CZ3 4.37Å; G307-W311 PolarHBondContact O-N 3.49Å; E309-W311 VanDerWaalsContact C-N 3.32Å; E309-W311 PolarHBondContact O-N 2.83Å; W311-G313 PolarHBondContact O-N 2.84Å; W311-I314 HydrophobicContact CE3-CB 4.26Å; W311-I314 HydrophobicContact CE3-CG2 4.12Å; W311-I314 HydrophobicContact CZ3-CG2 3.99Å; W311-I314 PolarHBondContact O-N 3.35Å; W311-R315 HydrophobicContact CD2-CG 4.1Å; W311-R315 HydrophobicContact CH2-CG 4.32Å; W311-R315 HydrophobicContact CZ2-CG 3.88Å; W311-R315 WeakPolarHBondContact O-CG 3.31Å; W311-R315 PolarHBondContact O-N 3Å
312E98.6Very high97.8Very high62 Ų6225.3 Ų25.329%0.2913%0.125SC..Hα-helixtrans-60.4-33.3177.2-69.4-58.312800113A243 V247 K308 E309 T310 R315A243-E312 HydrophobicContact CB-CB 4.38Å; A243-E312 WeakPolarHBondContact CB-O 3.14Å; V247-E312 HydrophobicContact CG2-CB 4Å; V247-E312 HydrophobicContact CG2-CG 3.67Å; K308-E312 PolarHBondContact O-N 2.75Å; E309-E312 PolarHBondContact O-N 2.96Å; T310-E312 VanDerWaalsContact C-N 3.35Å; T310-E312 PolarHBondContact O-N 3.34Å; E312-R315 WeakPolarHBondContact OE1-CD 3.47Å; E312-R315 IonicContact OE1-CZ 2.81Å; E312-R315 IonicContact OE1-NH1 2.69Å; E312-R315 PolarHBondContact OE1-NH1 3.43Å; E312-R315 IonicContact OE2-NH1 3.47Å
313G98.7Very high97.6Very high0 Ų026 Ų260%014%0.136CC..Hα-helixtrans-67.4-45.7169.400000113.1A240 E309 T310 W311 R315 C316A240-G313 VanDerWaalsContact CB-O 3.26Å; A240-G313 WeakPolarHBondContact CB-O 2.95Å; A240-G313 WeakPolarHBondContact O-CA 3.26Å; E309-G313 PolarHBondContact O-N 2.79Å; T310-G313 WeakPolarHBondContact O-CA 3.34Å; T310-G313 PolarHBondContact O-N 2.68Å; T310-G313 VanDerWaalsContact O-N 3.12Å; W311-G313 PolarHBondContact O-N 2.84Å; G313-R315 VanDerWaalsContact C-N 3.31Å; G313-R315 PolarHBondContact O-N 2.84Å; G313-C316 VanDerWaalsContact O-CB 3.27Å; G313-C316 WeakPolarHBondContact O-CB 3.37Å; G313-C316 PolarHBondContact O-N 2.95Å; G313-C316 VanDerWaalsContact O-N 3.09Å
314I98.8Very high97.4Very high0 Ų024.4 Ų24.40%013%0.129CC..Hα-helixtrans-65.4-33.3-178.3-71.7170.7000112L64 I82 W105 I206 W215 T310 W311 C316 V317 A318L64-I314 HydrophobicContact CD1-CD1 3.69Å; I82-I314 HydrophobicContact CD1-CD1 3.34Å; I82-I314 HydrophobicContact CG1-CD1 4.24Å; W105-I314 HydrophobicContact CH2-CG2 3.86Å; W105-I314 HydrophobicContact CZ3-CG2 3.83Å; I206-I314 HydrophobicContact CD1-CG1 4.19Å; I206-I314 HydrophobicContact CD1-CG2 4.25Å; W215-I314 HydrophobicContact CH2-CG1 4.38Å; T310-I314 HydrophobicContact CG2-CD1 3.85Å; T310-I314 HydrophobicContact CG2-CG1 4.39Å; T310-I314 WeakPolarHBondContact O-CG1 3.19Å; T310-I314 PolarHBondContact O-N 3.32Å; W311-I314 HydrophobicContact CE3-CB 4.26Å; W311-I314 HydrophobicContact CE3-CG2 4.12Å; W311-I314 HydrophobicContact CZ3-CG2 3.99Å; W311-I314 PolarHBondContact O-N 3.35Å; I314-C316 PolarHBondContact O-N 3.35Å; I314-V317 WeakPolarHBondContact O-CA 3.48Å; I314-V317 WeakPolarHBondContact O-CB 3.33Å; I314-V317 PolarHBondContact O-N 3.21Å; I314-A318 PolarHBondContact O-N 2.68Å
315R98.6Very high96.7Very high35 Ų3521.7 Ų21.713%0.13212%0.12CC..Hα-helixtrans-53.3-40.3170.8-68.8174.472.7153.812.3112D93 S95 Y99 W311 E312 G313 V317 A318 D319D93-R315 IonicContact OD1-NH2 3.54Å; D93-R315 IonicContact OD2-CZ 2.66Å; D93-R315 IonicContact OD2-NH1 3.83Å; D93-R315 PolarHBondContact OD2-NH1 3.16Å; D93-R315 IonicContact OD2-NH2 2.89Å; D93-R315 PolarHBondContact OD2-NH2 3.46Å; S95-R315 VanDerWaalsContact CB-NH2 3.31Å; S95-R315 PolarHBondContact OG-NH2 2.75Å; S95-R315 VanDerWaalsContact OG-NH2 3.1Å; Y99-R315 HydrophobicContact CE2-CB 4.03Å; Y99-R315 HydrophobicContact CE2-CG 3.69Å; W311-R315 HydrophobicContact CD2-CG 4.1Å; W311-R315 HydrophobicContact CH2-CG 4.32Å; W311-R315 HydrophobicContact CZ2-CG 3.88Å; W311-R315 WeakPolarHBondContact O-CG 3.31Å; W311-R315 PolarHBondContact O-N 3Å; E312-R315 WeakPolarHBondContact OE1-CD 3.47Å; E312-R315 IonicContact OE1-CZ 2.81Å; E312-R315 IonicContact OE1-NH1 2.69Å; E312-R315 PolarHBondContact OE1-NH1 3.43Å; E312-R315 IonicContact OE2-NH1 3.47Å; G313-R315 VanDerWaalsContact C-N 3.31Å; G313-R315 PolarHBondContact O-N 2.84Å; R315-V317 VanDerWaalsContact C-N 3.27Å; R315-V317 PolarHBondContact O-N 3.28Å; R315-A318 WeakPolarHBondContact O-CB 3.48Å; R315-A318 PolarHBondContact O-N 2.91Å; R315-D319 VanDerWaalsContact O-CG 3.31Å; R315-D319 PolarHBondContact O-N 2.83Å
316C98.7Very high95.6Very high12 Ų1223 Ų238%0.08113%0.13CC..Hα-helixtrans-64.4-31.8177-63.70000112.7R239 A240 G313 I314 A320R239-C316 HydrophobicContact CG-CB 4.4Å; A240-C316 HydrophobicContact CB-CB 3.96Å; G313-C316 VanDerWaalsContact O-CB 3.27Å; G313-C316 WeakPolarHBondContact O-CB 3.37Å; G313-C316 PolarHBondContact O-N 2.95Å; G313-C316 VanDerWaalsContact O-N 3.09Å; I314-C316 PolarHBondContact O-N 3.35Å; C316-A320 PolarHBondContact O-N 3.07Å
317V98.8Very high94.4Very high0 Ų026.5 Ų26.50%015%0.154CC..Hα-helixtrans-72.5-42.8174.1-174.80000110.3S204 I206 W215 V236 Y282 I314 R315 D319 A320 V321S204-V317 VanDerWaalsContact OG-CG1 3.25Å; S204-V317 WeakPolarHBondContact OG-CG1 3.39Å; I206-V317 HydrophobicContact CD1-CB 4.27Å; I206-V317 HydrophobicContact CD1-CG1 4.11Å; I206-V317 HydrophobicContact CD1-CG2 4.32Å; W215-V317 HydrophobicContact CH2-CG2 4.29Å; W215-V317 HydrophobicContact CZ2-CG2 3.66Å; V236-V317 HydrophobicContact CG1-CB 4.49Å; V236-V317 HydrophobicContact CG1-CG2 4.01Å; Y282-V317 HydrophobicContact CD2-CG1 4.37Å; Y282-V317 HydrophobicContact CD2-CG2 4.18Å; Y282-V317 HydrophobicContact CE2-CG1 4.1Å; Y282-V317 HydrophobicContact CE2-CG2 4Å; I314-V317 WeakPolarHBondContact O-CA 3.48Å; I314-V317 WeakPolarHBondContact O-CB 3.33Å; I314-V317 PolarHBondContact O-N 3.21Å; R315-V317 VanDerWaalsContact C-N 3.27Å; R315-V317 PolarHBondContact O-N 3.28Å; V317-D319 PolarHBondContact O-N 3.21Å; V317-A320 WeakPolarHBondContact O-CA 3.45Å; V317-A320 WeakPolarHBondContact O-CB 3.48Å; V317-A320 PolarHBondContact O-N 3.39Å; V317-V321 WeakPolarHBondContact O-CG2 3.38Å; V317-V321 PolarHBondContact O-N 2.97Å
318A98.5Very high92.8Very high0 Ų030.5 Ų30.50%018%0.179CC..Hα-helixtrans-57.6-45.8175.200000112I62 Y99 L103 W105 I314 R315 A320 V321 I322I62-A318 HydrophobicContact CD1-CB 4.14Å; Y99-A318 HydrophobicContact CD1-CB 3.71Å; Y99-A318 HydrophobicContact CE1-CB 3.83Å; Y99-A318 HydrophobicContact CG-CB 4.2Å; L103-A318 HydrophobicContact CD1-CB 3.81Å; W105-A318 HydrophobicContact CH2-CB 4Å; W105-A318 HydrophobicContact CZ2-CB 3.95Å; I314-A318 PolarHBondContact O-N 2.68Å; R315-A318 WeakPolarHBondContact O-CB 3.48Å; R315-A318 PolarHBondContact O-N 2.91Å; A318-A320 VanDerWaalsContact C-N 3.28Å; A318-A320 PolarHBondContact O-N 3.27Å; A318-V321 WeakPolarHBondContact O-CB 3.48Å; A318-V321 PolarHBondContact O-N 3.45Å; A318-V321 VanDerWaalsContact O-N 3.15Å; A318-I322 WeakPolarHBondContact O-CG1 3.44Å; A318-I322 PolarHBondContact O-N 3.48Å
319D98.2Very high90.8Very high68 Ų6828.4 Ų28.436%0.36418%0.179SC..Hα-helixtrans-58.2-39.4173.9-65.6-23.1000112.1Y99 R315 V317 S323Y99-D319 WeakPolarHBondContact CE1-OD1 3.33Å; Y99-D319 PolarHBondContact OH-OD1 3.05Å; R315-D319 VanDerWaalsContact O-CG 3.31Å; R315-D319 PolarHBondContact O-N 2.83Å; V317-D319 PolarHBondContact O-N 3.21Å; D319-S323 WeakPolarHBondContact O-CB 2.96Å; D319-S323 PolarHBondContact O-N 3.03Å; D319-S323 PolarHBondContact O-OG 2.92Å
320A97.9Very high88.2Confident4 Ų435.4 Ų35.43%0.03321%0.209CC..Hα-helixtrans-68.2-35.517800000112.6V236 Y280 C316 V317 A318 S323 T324V236-A320 HydrophobicContact CG1-CB 4.1Å; V236-A320 HydrophobicContact CG2-CB 3.62Å; Y280-A320 HydrophobicContact CE1-CB 4.06Å; Y280-A320 HydrophobicContact CE2-CB 4.17Å; C316-A320 PolarHBondContact O-N 3.07Å; V317-A320 WeakPolarHBondContact O-CA 3.45Å; V317-A320 WeakPolarHBondContact O-CB 3.48Å; V317-A320 PolarHBondContact O-N 3.39Å; A318-A320 VanDerWaalsContact C-N 3.28Å; A318-A320 PolarHBondContact O-N 3.27Å; A320-S323 WeakPolarHBondContact CA-OG 3.47Å; A320-S323 PolarHBondContact O-OG 3Å; A320-T324 WeakPolarHBondContact O-CB 2.98Å; A320-T324 PolarHBondContact O-N 2.99Å; A320-T324 PolarHBondContact O-OG1 3.39Å
321V97.6Very high85.7Confident0 Ų037 Ų370%023%0.226CC..Hα-helixtrans-66.4-50.4173.9172.50000110.6P60 I62 L103 V203 Y280 V317 A318 S323 T324 A325P60-V321 HydrophobicContact CB-CG1 3.77Å; P60-V321 HydrophobicContact CG-CG1 4.1Å; I62-V321 HydrophobicContact CD1-CB 4.47Å; I62-V321 HydrophobicContact CD1-CG2 4.11Å; I62-V321 HydrophobicContact CG1-CG2 4.24Å; L103-V321 HydrophobicContact CD2-CB 4.32Å; L103-V321 HydrophobicContact CD2-CG1 3.62Å; V203-V321 HydrophobicContact CB-CG1 3.84Å; V203-V321 HydrophobicContact CB-CG2 4.34Å; V203-V321 HydrophobicContact CG1-CB 4.42Å; V203-V321 HydrophobicContact CG1-CG1 3.97Å; V203-V321 HydrophobicContact CG1-CG2 4.14Å; V203-V321 HydrophobicContact CG2-CG1 4.43Å; Y280-V321 HydrophobicContact CD2-CG2 3.99Å; V317-V321 WeakPolarHBondContact O-CG2 3.38Å; V317-V321 PolarHBondContact O-N 2.97Å; A318-V321 WeakPolarHBondContact O-CB 3.48Å; A318-V321 PolarHBondContact O-N 3.45Å; A318-V321 VanDerWaalsContact O-N 3.15Å; V321-S323 PolarHBondContact O-N 2.86Å; V321-T324 PolarHBondContact O-N 3.17Å; V321-A325 PolarHBondContact O-N 2.89Å
322I95.4Very high83.4Confident32 Ų3240.8 Ų40.816%0.16425%0.249CC..Hα-helixtrans-59.6-45.6179.9-66.8171.2000111.1Y99 L102 L103 A318 T324 A325 S326Y99-I322 HydrophobicContact CD1-CD1 3.86Å; Y99-I322 HydrophobicContact CE1-CD1 4.22Å; L102-I322 HydrophobicContact CB-CD1 4.25Å; L102-I322 HydrophobicContact CB-CG1 4.34Å; L102-I322 HydrophobicContact CD1-CD1 4.12Å; L102-I322 HydrophobicContact CD1-CG2 4.07Å; L103-I322 HydrophobicContact CD1-CD1 4.21Å; L103-I322 HydrophobicContact CD1-CG1 4.19Å; L103-I322 HydrophobicContact CD2-CD1 4.36Å; L103-I322 HydrophobicContact CD2-CG1 3.57Å; L103-I322 HydrophobicContact CG-CD1 4.21Å; L103-I322 HydrophobicContact CG-CG1 3.97Å; A318-I322 WeakPolarHBondContact O-CG1 3.44Å; A318-I322 PolarHBondContact O-N 3.48Å; I322-T324 PolarHBondContact O-N 3.21Å; I322-A325 PolarHBondContact O-N 3.24Å; I322-S326 WeakPolarHBondContact O-CB 3.46Å; I322-S326 PolarHBondContact O-N 3.07Å; I322-S326 PolarHBondContact O-OG 3.46Å
323S93.3Very high80.7Confident68 Ų6841 Ų4148%0.47626%0.255SS..Hα-helixtrans-65.3-37.9178.655.90000112.6D319 A320 V321 S327D319-S323 WeakPolarHBondContact O-CB 2.96Å; D319-S323 PolarHBondContact O-N 3.03Å; D319-S323 PolarHBondContact O-OG 2.92Å; A320-S323 WeakPolarHBondContact CA-OG 3.47Å; A320-S323 PolarHBondContact O-OG 3Å; V321-S323 PolarHBondContact O-N 2.86Å; S323-S327 WeakPolarHBondContact O-CB 3.06Å; S323-S327 PolarHBondContact O-N 3.27Å; S323-S327 PolarHBondContact O-OG 3.01Å
324T89.2Confident78Confident20 Ų2046.1 Ų46.112%0.12328%0.282CS..Hα-helixtrans-63.7-49.1174.1-66.10000111.2K279 Y280 A320 V321 I322 S326 S327 T328K279-T324 HydrophobicContact CD-CG2 3.99Å; K279-T324 PolarHBondContact NZ-OG1 3.19Å; Y280-T324 WeakPolarHBondContact CE2-OG1 3.13Å; Y280-T324 PolarHBondContact OH-OG1 3.33Å; A320-T324 WeakPolarHBondContact O-CB 2.98Å; A320-T324 PolarHBondContact O-N 2.99Å; A320-T324 PolarHBondContact O-OG1 3.39Å; V321-T324 PolarHBondContact O-N 3.17Å; I322-T324 PolarHBondContact O-N 3.21Å; T324-S326 VanDerWaalsContact C-N 3.31Å; T324-S326 PolarHBondContact O-N 3.42Å; T324-S327 PolarHBondContact O-N 3.19Å; T324-S327 VanDerWaalsContact O-N 3.17Å; T324-S327 PolarHBondContact O-OG 3.48Å; T324-T328 PolarHBondContact O-N 3.35Å; T324-T328 PolarHBondContact O-OG1 2.81Å; T324-T328 VanDerWaalsContact O-OG1 3.14Å
325A80.8Confident75.6Confident34 Ų3449.8 Ų49.828%0.28130%0.304SS..Hα-helixtrans-59.5-42.3179.400000111.9P60 V321 I322 T328 A329P60-A325 HydrophobicContact CB-CB 4.24Å; P60-A325 HydrophobicContact CG-CB 3.81Å; V321-A325 PolarHBondContact O-N 2.89Å; I322-A325 PolarHBondContact O-N 3.24Å; A325-T328 PolarHBondContact O-N 2.99Å; A325-A329 PolarHBondContact O-N 3.02Å
326S75.9Confident73.3Confident54 Ų5451.5 Ų51.538%0.37832%0.322SS..Hα-helixtrans-60.6-47.3174.9-58.50000111.4I322 T324 T328 A329 F330I322-S326 WeakPolarHBondContact O-CB 3.46Å; I322-S326 PolarHBondContact O-N 3.07Å; I322-S326 PolarHBondContact O-OG 3.46Å; T324-S326 VanDerWaalsContact C-N 3.31Å; T324-S326 PolarHBondContact O-N 3.42Å; S326-T328 VanDerWaalsContact C-N 3.33Å; S326-T328 PolarHBondContact O-N 3.09Å; S326-A329 PolarHBondContact O-N 2.87Å; S326-F330 WeakPolarHBondContact O-CD2 3.46Å; S326-F330 PolarHBondContact O-N 3.24Å
327S71.6Confident71.2Confident72 Ų7255.4 Ų55.450%0.50334%0.341SS..Hα-helixtrans-62.5-37.5179.870.90000113.3S323 T324 G331S323-S327 WeakPolarHBondContact O-CB 3.06Å; S323-S327 PolarHBondContact O-N 3.27Å; S323-S327 PolarHBondContact O-OG 3.01Å; T324-S327 PolarHBondContact O-N 3.19Å; T324-S327 VanDerWaalsContact O-N 3.17Å; T324-S327 PolarHBondContact O-OG 3.48Å; S327-G331 PolarHBondContact O-N 2.96Å
328T65.3Low69.5Low84 Ų8460.1 Ų60.152%0.51536%0.363SS..Hα-helixtrans-67-42.9175.6-54.60000110.9T324 A325 S326 G331 T332T324-T328 PolarHBondContact O-N 3.35Å; T324-T328 PolarHBondContact O-OG1 2.81Å; T324-T328 VanDerWaalsContact O-OG1 3.14Å; A325-T328 PolarHBondContact O-N 2.99Å; S326-T328 VanDerWaalsContact C-N 3.33Å; S326-T328 PolarHBondContact O-N 3.09Å; T328-G331 PolarHBondContact O-N 3.27Å; T328-T332 PolarHBondContact O-N 3.03Å; T328-T332 PolarHBondContact O-OG1 3.39Å
329A55.4Low68Low49 Ų4964.6 Ų64.641%0.40539%0.387SS..Hα-helixtrans-63.5-43.317600000112.2A325 S326 G331 T332 T333A325-A329 PolarHBondContact O-N 3.02Å; S326-A329 PolarHBondContact O-N 2.87Å; A329-G331 VanDerWaalsContact C-N 3.33Å; A329-G331 PolarHBondContact O-N 2.92Å; A329-T332 WeakPolarHBondContact CA-OG1 3.41Å; A329-T332 PolarHBondContact O-N 2.86Å; A329-T332 PolarHBondContact O-OG1 3.22Å; A329-T333 WeakPolarHBondContact O-CB 3.31Å; A329-T333 PolarHBondContact O-N 2.75Å; A329-T333 PolarHBondContact O-OG1 3.4Å
330F44.5Very low66.9Low146 Ų14662.4 Ų62.464%0.6438%0.375SS*.Hα-helixtrans-64.1-38.3174.2-81-72.5000112S326 T333 L334S326-F330 WeakPolarHBondContact O-CD2 3.46Å; S326-F330 PolarHBondContact O-N 3.24Å; F330-T333 PolarHBondContact O-N 2.97Å; F330-L334 WeakPolarHBondContact O-CB 3.39Å; F330-L334 WeakPolarHBondContact O-CG 3.22Å; F330-L334 PolarHBondContact O-N 3.08Å
331G46.4Very low65.9Low33 Ų3369.4 Ų69.434%0.3441%0.409SS..Hα-helixtrans-65.5-41.217600000113.7S327 T328 A329 T335S327-G331 PolarHBondContact O-N 2.96Å; T328-G331 PolarHBondContact O-N 3.27Å; A329-G331 VanDerWaalsContact C-N 3.33Å; A329-G331 PolarHBondContact O-N 2.92Å; G331-T335 WeakPolarHBondContact O-CG2 3.39Å; G331-T335 PolarHBondContact O-N 3.36Å; G331-T335 PolarHBondContact O-OG1 2.99Å
332T48.8Very low65.2Low83 Ų8373 Ų7351%0.50943%0.428SS..Hα-helixtrans-69.2-3417451.70000112T328 A329 T335 S336T328-T332 PolarHBondContact O-N 3.03Å; T328-T332 PolarHBondContact O-OG1 3.39Å; A329-T332 WeakPolarHBondContact CA-OG1 3.41Å; A329-T332 PolarHBondContact O-N 2.86Å; A329-T332 PolarHBondContact O-OG1 3.22Å; T332-T335 VanDerWaalsContact CA-OG1 3.32Å; T332-T335 WeakPolarHBondContact CA-OG1 3.47Å; T332-T335 PolarHBondContact O-OG1 3.06Å; T332-S336 WeakPolarHBondContact O-CB 3.18Å; T332-S336 PolarHBondContact O-N 2.79Å; T332-S336 PolarHBondContact O-OG 3.24Å
333T43Very low64.4Low68 Ų6874.5 Ų74.542%0.41744%0.44SS..Hα-helixtrans-71.3-40.2176.5-430000111.5A329 F330 S336 L337A329-T333 WeakPolarHBondContact O-CB 3.31Å; A329-T333 PolarHBondContact O-N 2.75Å; A329-T333 PolarHBondContact O-OG1 3.4Å; F330-T333 PolarHBondContact O-N 2.97Å; T333-S336 PolarHBondContact O-N 2.88Å; T333-S336 PolarHBondContact O-OG 3.13Å; T333-S336 VanDerWaalsContact O-OG 3.11Å; T333-L337 HydrophobicContact CG2-CD1 4.04Å; T333-L337 VanDerWaalsContact O-CB 3.28Å; T333-L337 WeakPolarHBondContact O-CB 3.46Å; T333-L337 WeakPolarHBondContact O-CD1 3.43Å; T333-L337 VanDerWaalsContact O-CG 3.24Å; T333-L337 WeakPolarHBondContact O-CG 3.44Å; T333-L337 PolarHBondContact O-N 2.68Å
334L42.2Very low64Low106 Ų10679.4 Ų79.456%0.55545%0.453SS*.Hα-helixtrans-65.6-38.9175-76.3167.3000111.9F330 Q338F330-L334 WeakPolarHBondContact O-CB 3.39Å; F330-L334 WeakPolarHBondContact O-CG 3.22Å; F330-L334 PolarHBondContact O-N 3.08Å; L334-Q338 VanDerWaalsContact O-CG 3.25Å; L334-Q338 WeakPolarHBondContact O-CG 3.32Å; L334-Q338 PolarHBondContact O-N 2.85Å
335T48.6Very low63.7Low77 Ų7781.8 Ų81.847%0.47247%0.465SS..Hα-helixtrans-71.5-34.8176.848.30000112.5G331 T332 Q338 L339G331-T335 WeakPolarHBondContact O-CG2 3.39Å; G331-T335 PolarHBondContact O-N 3.36Å; G331-T335 PolarHBondContact O-OG1 2.99Å; T332-T335 VanDerWaalsContact CA-OG1 3.32Å; T332-T335 WeakPolarHBondContact CA-OG1 3.47Å; T332-T335 PolarHBondContact O-OG1 3.06Å; T335-Q338 PolarHBondContact O-N 3.05Å; T335-L339 WeakPolarHBondContact O-CD1 3.28Å; T335-L339 WeakPolarHBondContact O-CG 3.22Å
336S50Low64Low72 Ų7280.2 Ų80.250%0.50345%0.452SS..Hα-helixtrans-72-35.9173.676.60000112.6T332 T333 Q338 L339T332-S336 WeakPolarHBondContact O-CB 3.18Å; T332-S336 PolarHBondContact O-N 2.79Å; T332-S336 PolarHBondContact O-OG 3.24Å; T333-S336 PolarHBondContact O-N 2.88Å; T333-S336 PolarHBondContact O-OG 3.13Å; T333-S336 VanDerWaalsContact O-OG 3.11Å; S336-Q338 PolarHBondContact O-N 3.3Å; S336-L339 PolarHBondContact O-N 2.59Å
337L54.7Low64.4Low94 Ų9484.2 Ų84.249%0.49246%0.459SS..THydrogen-bonded Turntrans-68.2-10.7173.2-75.9165.5000113.7T333 P366T333-L337 HydrophobicContact CG2-CD1 4.04Å; T333-L337 VanDerWaalsContact O-CB 3.28Å; T333-L337 WeakPolarHBondContact O-CB 3.46Å; T333-L337 WeakPolarHBondContact O-CD1 3.43Å; T333-L337 VanDerWaalsContact O-CG 3.24Å; T333-L337 WeakPolarHBondContact O-CG 3.44Å; T333-L337 PolarHBondContact O-N 2.68Å; L337-P366 WeakPolarHBondContact O-CB 3.06Å; L337-P366 WeakPolarHBondContact O-CG 3.18Å
338Q62.4Low65.1Low98 Ų9888 Ų8846%0.45846%0.462SS..THydrogen-bonded Turntrans-104.70.5177.2-72.9-178.7-14.100113.6L334 T335 S336 C372L334-Q338 VanDerWaalsContact O-CG 3.25Å; L334-Q338 WeakPolarHBondContact O-CG 3.32Å; L334-Q338 PolarHBondContact O-N 2.85Å; T335-Q338 PolarHBondContact O-N 3.05Å; S336-Q338 PolarHBondContact O-N 3.3Å; Q338-C372 HydrophobicContact CG-CB 3.95Å
339L67.5Low65.9Low95 Ų9587.3 Ų87.350%0.49745%0.45SS..SBendtrans-118.8138.1-177.7-70168.4000110.2T335 S336 M341T335-L339 WeakPolarHBondContact O-CD1 3.28Å; T335-L339 WeakPolarHBondContact O-CG 3.22Å; S336-L339 PolarHBondContact O-N 2.59Å; L339-M341 PolarHBondContact O-N 2.6Å
340D75.5Confident67.1Low22 Ų2286.4 Ų86.412%0.11844%0.443CS..  trans-67.8130.2171.5-69.3-25.9000109.4D342 C346 C365 R367 S368D340-D342 PolarHBondContact O-N 2.92Å; D340-C346 HydrophobicContact CB-CB 3.78Å; D340-C365 WeakPolarHBondContact OD1-CA 3.3Å; D340-R367 WeakPolarHBondContact OD1-CA 3.07Å; D340-R367 WeakPolarHBondContact OD1-CB 3.34Å; D340-R367 PolarHBondContact OD1-N 3.26Å; D340-S368 PolarHBondContact OD1-N 2.68Å; D340-S368 VanDerWaalsContact OD2-CB 3.25Å; D340-S368 WeakPolarHBondContact OD2-CB 3.2Å; D340-S368 PolarHBondContact OD2-N 3.42Å; D340-S368 VanDerWaalsContact OD2-N 3.12Å; D340-S368 PolarHBondContact OD2-OG 2.95Å
341M76.4Confident69.1Low151 Ų15183.5 Ų83.574%0.74445%0.446SS*.SBendtrans-57.7-37.2177.1-89.5-168.361.800112.6L339 R364L339-M341 PolarHBondContact O-N 2.6Å; M341-R364 WeakPolarHBondContact CB-O 3.01Å; M341-R364 PolarHBondContact N-O 3.29Å; M341-R364 HydrophobicContact SD-CB 4.31Å; M341-R364 HydrophobicContact SD-CG 3.97Å
342D81.5Confident71Confident74 Ų7486.2 Ų86.240%0.39645%0.452SS..SBendtrans-135.4102.8173.1-177.2-39.8000108.7D340 F344 L345 C346D340-D342 PolarHBondContact O-N 2.92Å; D342-F344 PolarHBondContact O-N 3.12Å; D342-F344 VanDerWaalsContact O-N 3.16Å; D342-F344 PolarHBondContact OD1-N 3.19Å; D342-L345 HydrophobicContact CB-CB 3.97Å; D342-L345 PolarHBondContact O-N 3.41Å; D342-L345 PolarHBondContact OD1-N 2.87Å; D342-C346 WeakPolarHBondContact O-CB 3.28Å; D342-C346 PolarHBondContact O-N 3.28Å; D342-C346 PolarHBondContact O-SG 2.65Å
343P80.3Confident72.5Confident65 Ų6583.6 Ų83.642%0.42244%0.442SS..Hα-helixtrans-59.8-28.2-175.9-26.134.2000114.4R347P343-R347 WeakPolarHBondContact O-CG 3.41Å; P343-R347 PolarHBondContact O-N 2.85Å; P343-R347 PolarHBondContact O-NE 3.13Å; P343-R347 PolarHBondContact O-NH2 2.77Å
344F83.8Confident74.3Confident170 Ų17080.7 Ų80.775%0.74643%0.426SS*.Hα-helixtrans-80-50179.6-83.2-84.7000111D342 R347 W348D342-F344 PolarHBondContact O-N 3.12Å; D342-F344 VanDerWaalsContact O-N 3.16Å; D342-F344 PolarHBondContact OD1-N 3.19Å; F344-R347 PolarHBondContact O-N 2.9Å; F344-W348 PolarHBondContact O-N 2.85Å
345L83.8Confident76Confident70 Ų7076.8 Ų76.837%0.36641%0.407SS..Hα-helixtrans-65.8-40.6179.4-173.163.7000111.5D342 R347 W348 W349D342-L345 HydrophobicContact CB-CB 3.97Å; D342-L345 PolarHBondContact O-N 3.41Å; D342-L345 PolarHBondContact OD1-N 2.87Å; L345-R347 PolarHBondContact O-N 3.12Å; L345-W348 PolarHBondContact O-N 2.89Å; L345-W349 HydrophobicContact CD1-CD2 4.42Å; L345-W349 HydrophobicContact CD1-CZ2 4.34Å; L345-W349 HydrophobicContact CD2-CD2 4.48Å; L345-W349 HydrophobicContact CD2-CE3 4.36Å; L345-W349 HydrophobicContact CD2-CH2 3.67Å; L345-W349 HydrophobicContact CD2-CZ2 3.74Å; L345-W349 HydrophobicContact CD2-CZ3 3.99Å; L345-W349 HydrophobicContact CG-CD2 3.98Å; L345-W349 HydrophobicContact CG-CE3 4.12Å; L345-W349 HydrophobicContact CG-CH2 4.23Å; L345-W349 HydrophobicContact CG-CZ2 4.06Å; L345-W349 HydrophobicContact CG-CZ3 4.26Å; L345-W349 PolarHBondContact O-N 2.77Å
346C86.6Confident77.3Confident2 Ų281.6 Ų81.61%0.01442%0.424CS..Hα-helixtrans-63.7-38.9179.3-73.50000112.8D340 D342 W349 A350 C365D340-C346 HydrophobicContact CB-CB 3.78Å; D342-C346 WeakPolarHBondContact O-CB 3.28Å; D342-C346 PolarHBondContact O-N 3.28Å; D342-C346 PolarHBondContact O-SG 2.65Å; C346-W349 PolarHBondContact O-N 3.27Å; C346-A350 WeakPolarHBondContact O-CB 3.49Å; C346-A350 PolarHBondContact O-N 3.31Å; C346-C365 WeakPolarHBondContact CA-SG 3.16Å; C346-C365 HydrophobicContact CB-CB 3.49Å; C346-C365 VanDerWaalsContact CB-CB 3.49Å; C346-C365 WeakPolarHBondContact CB-SG 3.48Å; C346-C365 VanDerWaalsContact SG-CA 3.52Å; C346-C365 WeakPolarHBondContact SG-CB 3.48Å; C346-C365 CovalentContact SG-SG 2.02Å; C346-C365 PolarHBondContact SG-SG 2.77Å
347R84.5Confident78.4Confident137 Ų13784.9 Ų84.952%0.51743%0.433SS..Hα-helixtrans-63.7-42.5173.1-81.6-177.7-75.4-1351111.9P343 F344 L345 A351P343-R347 WeakPolarHBondContact O-CG 3.41Å; P343-R347 PolarHBondContact O-N 2.85Å; P343-R347 PolarHBondContact O-NE 3.13Å; P343-R347 PolarHBondContact O-NH2 2.77Å; F344-R347 PolarHBondContact O-N 2.9Å; L345-R347 PolarHBondContact O-N 3.12Å; R347-A351 WeakPolarHBondContact O-CB 3.15Å; R347-A351 PolarHBondContact O-N 3.16Å
348W85.9Confident79Confident153 Ų15383.2 Ų83.258%0.5843%0.427SS*.Hα-helixtrans-64.4-44.9176.9-174.385.7000111.5F344 L345 A351 N352F344-W348 PolarHBondContact O-N 2.85Å; L345-W348 PolarHBondContact O-N 2.89Å; W348-A351 PolarHBondContact O-N 2.8Å; W348-N352 PolarHBondContact NE1-ND2 3.18Å; W348-N352 PolarHBondContact O-N 3.26Å; W348-N352 VanDerWaalsContact O-N 3.09Å; W348-N352 PolarHBondContact O-ND2 2.89Å
349W82.2Confident79.1Confident68 Ų6883.7 Ų83.726%0.25844%0.438SS..Hα-helixtrans-63.5-44.2176.8-80.1-22.2000113L345 C346 A351 N352 G353 G354 T361L345-W349 HydrophobicContact CD1-CD2 4.42Å; L345-W349 HydrophobicContact CD1-CZ2 4.34Å; L345-W349 HydrophobicContact CD2-CD2 4.48Å; L345-W349 HydrophobicContact CD2-CE3 4.36Å; L345-W349 HydrophobicContact CD2-CH2 3.67Å; L345-W349 HydrophobicContact CD2-CZ2 3.74Å; L345-W349 HydrophobicContact CD2-CZ3 3.99Å; L345-W349 HydrophobicContact CG-CD2 3.98Å; L345-W349 HydrophobicContact CG-CE3 4.12Å; L345-W349 HydrophobicContact CG-CH2 4.23Å; L345-W349 HydrophobicContact CG-CZ2 4.06Å; L345-W349 HydrophobicContact CG-CZ3 4.26Å; L345-W349 PolarHBondContact O-N 2.77Å; C346-W349 PolarHBondContact O-N 3.27Å; W349-A351 VanDerWaalsContact C-N 3.3Å; W349-A351 PolarHBondContact O-N 3.38Å; W349-N352 CarbonylContact O-C 3.54Å; W349-N352 PolarHBondContact O-N 2.79Å; W349-N352 VanDerWaalsContact O-N 3.15Å; W349-G353 PolarHBondContact O-N 3.08Å; W349-G354 PolarHBondContact O-N 2.75Å; W349-T361 HydrophobicContact CB-CG2 4.15Å; W349-T361 HydrophobicContact CD2-CG2 3.85Å; W349-T361 HydrophobicContact CE3-CG2 3.33Å; W349-T361 HydrophobicContact CG-CG2 4.24Å; W349-T361 HydrophobicContact CZ3-CG2 3.89Å
350A80.9Confident79.1Confident31 Ų3182.5 Ų82.526%0.25644%0.437SS..Hα-helixtrans-61.1-41176.900000111.8C346 N352 G353C346-A350 WeakPolarHBondContact O-CB 3.49Å; C346-A350 PolarHBondContact O-N 3.31Å; A350-N352 VanDerWaalsContact C-N 3.28Å; A350-N352 PolarHBondContact O-N 3.07Å; A350-G353 PolarHBondContact O-N 3.18Å
351A85.4Confident78.4Confident85 Ų8582 Ų8270%0.70244%0.435SS*.Hα-helixtrans-66.1-27.8176.200000113.5R347 W348 W349R347-A351 WeakPolarHBondContact O-CB 3.15Å; R347-A351 PolarHBondContact O-N 3.16Å; W348-A351 PolarHBondContact O-N 2.8Å; W349-A351 VanDerWaalsContact C-N 3.3Å; W349-A351 PolarHBondContact O-N 3.38Å
352N86.5Confident77.9Confident89 Ų8975.6 Ų75.648%0.47641%0.406SS..THydrogen-bonded Turntrans-103.622.2-178.3-68.3-82.4000113.2W348 W349 A350 G354W348-N352 PolarHBondContact NE1-ND2 3.18Å; W348-N352 PolarHBondContact O-N 3.26Å; W348-N352 VanDerWaalsContact O-N 3.09Å; W348-N352 PolarHBondContact O-ND2 2.89Å; W349-N352 CarbonylContact O-C 3.54Å; W349-N352 PolarHBondContact O-N 2.79Å; W349-N352 VanDerWaalsContact O-N 3.15Å; A350-N352 VanDerWaalsContact C-N 3.28Å; A350-N352 PolarHBondContact O-N 3.07Å; N352-G354 VanDerWaalsContact C-N 3.31Å; N352-G354 PolarHBondContact O-N 3.07Å
353G81.3Confident77.2Confident28 Ų2878.7 Ų78.729%0.28942%0.422SS..THydrogen-bonded Turntrans76.68.717300000115.7W349 A350 C355 H356 M357W349-G353 PolarHBondContact O-N 3.08Å; A350-G353 PolarHBondContact O-N 3.18Å; G353-C355 PolarHBondContact O-N 3.46Å; G353-H356 PolarHBondContact O-N 2.88Å; G353-M357 WeakPolarHBondContact O-CG 3.28Å; G353-M357 PolarHBondContact O-N 3.31Å
354G79.7Confident77.1Confident8 Ų882 Ų828%0.08243%0.427CS..Hα-helixtrans-60.3-29.5-177.700000114W349 N352 H356 M357 V358W349-G354 PolarHBondContact O-N 2.75Å; N352-G354 VanDerWaalsContact C-N 3.31Å; N352-G354 PolarHBondContact O-N 3.07Å; G354-H356 VanDerWaalsContact C-N 3.27Å; G354-H356 PolarHBondContact O-N 3.28Å; G354-M357 PolarHBondContact O-N 3.22Å; G354-V358 PolarHBondContact O-N 3.31Å; G354-V358 VanDerWaalsContact O-N 3.14Å
355C79.3Confident76.8Confident24 Ų2474 Ų7416%0.16239%0.391CS..Hα-helixtrans-61.6-31.8180-60.90000113.6G353 C369G353-C355 PolarHBondContact O-N 3.46Å; C355-C369 HydrophobicContact CB-CB 3.69Å; C355-C369 WeakPolarHBondContact CB-SG 2.95Å; C355-C369 WeakPolarHBondContact SG-CA 3.31Å; C355-C369 WeakPolarHBondContact SG-CB 3.45Å; C355-C369 CovalentContact SG-SG 2.03Å; C355-C369 PolarHBondContact SG-SG 3.29Å
356H75.8Confident76.5Confident178 Ų17871.1 Ų71.182%0.82438%0.377SS*.Hα-helixtrans-97.3-27.2-179.4-60.5-61.4000112.7G353 G354G353-H356 PolarHBondContact O-N 2.88Å; G354-H356 VanDerWaalsContact C-N 3.27Å; G354-H356 PolarHBondContact O-N 3.28Å
357M71.8Confident76.2Confident141 Ų14178.6 Ų78.670%0.69541%0.405SS*.Hα-helixtrans-84.7-26.2-174.7-66.7-163.2-68.200113.4G353 G354G353-M357 WeakPolarHBondContact O-CG 3.28Å; G353-M357 PolarHBondContact O-N 3.31Å; G354-M357 PolarHBondContact O-N 3.22Å
358V68.4Low76.2Confident59 Ų5973.4 Ų73.436%0.35839%0.39SS..  trans-132.4103.2-173.3-1740000109.8G354 S360 T361 A362G354-V358 PolarHBondContact O-N 3.31Å; G354-V358 VanDerWaalsContact O-N 3.14Å; V358-S360 VanDerWaalsContact CG1-OG 3.29Å; V358-S360 WeakPolarHBondContact CG1-OG 3.42Å; V358-S360 PolarHBondContact O-N 2.84Å; V358-S360 VanDerWaalsContact O-N 3.15Å; V358-T361 WeakPolarHBondContact CB-OG1 3.48Å; V358-T361 VanDerWaalsContact CG1-OG1 3.31Å; V358-T361 WeakPolarHBondContact CG1-OG1 3.42Å; V358-T361 VanDerWaalsContact O-CB 3.31Å; V358-T361 WeakPolarHBondContact O-CB 3.05Å; V358-T361 PolarHBondContact O-N 2.87Å; V358-A362 PolarHBondContact O-N 3.31Å
359P64.3Low75.9Confident107 Ų10767.2 Ų67.270%0.69537%0.369SS*.Hα-helixtrans-57-31.3-178.4-27.234.5000114.2T361P359-T361 VanDerWaalsContact C-N 3.3Å; P359-T361 PolarHBondContact O-N 3.07Å
360S67.5Low75.7Confident70 Ų7074.5 Ų74.549%0.4940%0.397SS..Hα-helixtrans-72.1-23.9176.557.80000113.2V358 R364V358-S360 VanDerWaalsContact CG1-OG 3.29Å; V358-S360 WeakPolarHBondContact CG1-OG 3.42Å; V358-S360 PolarHBondContact O-N 2.84Å; V358-S360 VanDerWaalsContact O-N 3.15Å; S360-R364 PolarHBondContact O-N 2.95Å
361T60.9Low75.3Confident11 Ų1178 Ų787%0.06741%0.41CS..Hα-helixtrans-72.4-39.2177.1-58.90000111.4W349 V358 P359 L363 R364 C365W349-T361 HydrophobicContact CB-CG2 4.15Å; W349-T361 HydrophobicContact CD2-CG2 3.85Å; W349-T361 HydrophobicContact CE3-CG2 3.33Å; W349-T361 HydrophobicContact CG-CG2 4.24Å; W349-T361 HydrophobicContact CZ3-CG2 3.89Å; V358-T361 WeakPolarHBondContact CB-OG1 3.48Å; V358-T361 VanDerWaalsContact CG1-OG1 3.31Å; V358-T361 WeakPolarHBondContact CG1-OG1 3.42Å; V358-T361 VanDerWaalsContact O-CB 3.31Å; V358-T361 WeakPolarHBondContact O-CB 3.05Å; V358-T361 PolarHBondContact O-N 2.87Å; P359-T361 VanDerWaalsContact C-N 3.3Å; P359-T361 PolarHBondContact O-N 3.07Å; T361-L363 VanDerWaalsContact C-N 3.27Å; T361-L363 PolarHBondContact O-N 3.02Å; T361-R364 PolarHBondContact O-N 2.79Å; T361-R364 VanDerWaalsContact O-N 3.1Å; T361-C365 WeakPolarHBondContact O-CB 3.03Å; T361-C365 PolarHBondContact O-N 3.17Å
362A64.4Low74.2Confident17 Ų1779 Ų7914%0.1441%0.411CS..Hα-helixtrans-54.9-41.1173.500000112.4V358 R364 I371V358-A362 PolarHBondContact O-N 3.31Å; A362-R364 PolarHBondContact O-N 3.11Å; A362-I371 HydrophobicContact CB-CD1 3.37Å
363L68.2Low73.6Confident139 Ų13978.6 Ų78.673%0.72841%0.408SS*.Hα-helixtrans-71.1-26.9178-71.7166.8000113.9T361T361-L363 VanDerWaalsContact C-N 3.27Å; T361-L363 PolarHBondContact O-N 3.02Å
364R77.1Confident73.2Confident136 Ų13681.2 Ų81.251%0.51341%0.414SS..Hα-helixtrans-87.6-23.9179-69.3-177.4178.4-171.6-0.4113.4M341 S360 T361 A362 P366M341-R364 WeakPolarHBondContact CB-O 3.01Å; M341-R364 PolarHBondContact N-O 3.29Å; M341-R364 HydrophobicContact SD-CB 4.31Å; M341-R364 HydrophobicContact SD-CG 3.97Å; S360-R364 PolarHBondContact O-N 2.95Å; T361-R364 PolarHBondContact O-N 2.79Å; T361-R364 VanDerWaalsContact O-N 3.1Å; A362-R364 PolarHBondContact O-N 3.11Å; R364-P366 WeakPolarHBondContact O-CD 3.4Å
365C78.8Confident72.8Confident1 Ų185.3 Ų85.31%0.00743%0.432CS..  trans-126.650.4-173.4-58.40000112.3D340 C346 T361 R367 S368 C369D340-C365 WeakPolarHBondContact OD1-CA 3.3Å; C346-C365 WeakPolarHBondContact CA-SG 3.16Å; C346-C365 HydrophobicContact CB-CB 3.49Å; C346-C365 VanDerWaalsContact CB-CB 3.49Å; C346-C365 WeakPolarHBondContact CB-SG 3.48Å; C346-C365 VanDerWaalsContact SG-CA 3.52Å; C346-C365 WeakPolarHBondContact SG-CB 3.48Å; C346-C365 CovalentContact SG-SG 2.02Å; C346-C365 PolarHBondContact SG-SG 2.77Å; T361-C365 WeakPolarHBondContact O-CB 3.03Å; T361-C365 PolarHBondContact O-N 3.17Å; C365-R367 PolarHBondContact O-N 2.97Å; C365-S368 PolarHBondContact O-N 2.85Å; C365-C369 VanDerWaalsContact O-CB 3.23Å; C365-C369 WeakPolarHBondContact O-CB 3.23Å; C365-C369 PolarHBondContact O-N 2.88Å; C365-C369 PolarHBondContact O-SG 2.03Å; C365-C369 VanDerWaalsContact O-SG 3.39Å
366P76.6Confident72.4Confident10 Ų1088.9 Ų88.97%0.06545%0.448CS..THydrogen-bonded Turntrans-61.4-32.9-170.825.2-34.4000112.5L337 R364 R370 I371L337-P366 WeakPolarHBondContact O-CB 3.06Å; L337-P366 WeakPolarHBondContact O-CG 3.18Å; R364-P366 WeakPolarHBondContact O-CD 3.4Å; P366-R370 PolarHBondContact O-N 2.04Å; P366-R370 VanDerWaalsContact O-N 3.09Å; P366-I371 PolarHBondContact O-N 3.43Å
367R80.4Confident72.2Confident159 Ų15983.3 Ų83.360%0.643%0.425SS*.THydrogen-bonded Turntrans-77.5-48.1-178.5-171178.4178.1144.80.4111.8D340 C365 C369 R370D340-R367 WeakPolarHBondContact OD1-CA 3.07Å; D340-R367 WeakPolarHBondContact OD1-CB 3.34Å; D340-R367 PolarHBondContact OD1-N 3.26Å; C365-R367 PolarHBondContact O-N 2.97Å; R367-C369 VanDerWaalsContact C-N 3.27Å; R367-C369 PolarHBondContact O-N 3.12Å; R367-R370 PolarHBondContact O-N 3.29Å; R367-R370 VanDerWaalsContact O-N 3.14Å
368S84.4Confident72.2Confident28 Ų2879.5 Ų79.520%0.19641%0.407CS..THydrogen-bonded Turntrans-64.4-34.1176.6-76.40000112D340 C365 R370D340-S368 PolarHBondContact OD1-N 2.68Å; D340-S368 VanDerWaalsContact OD2-CB 3.25Å; D340-S368 WeakPolarHBondContact OD2-CB 3.2Å; D340-S368 PolarHBondContact OD2-N 3.42Å; D340-S368 VanDerWaalsContact OD2-N 3.12Å; D340-S368 PolarHBondContact OD2-OG 2.95Å; C365-S368 PolarHBondContact O-N 2.85Å; S368-R370 VanDerWaalsContact C-N 3.32Å
369C80.9Confident72.5Confident22 Ų2280.9 Ų80.915%0.14941%0.41CS..THydrogen-bonded Turntrans-84.6-0.3175.8-63.80000114.2C355 C365 R367 I371C355-C369 HydrophobicContact CB-CB 3.69Å; C355-C369 WeakPolarHBondContact CB-SG 2.95Å; C355-C369 WeakPolarHBondContact SG-CA 3.31Å; C355-C369 WeakPolarHBondContact SG-CB 3.45Å; C355-C369 CovalentContact SG-SG 2.03Å; C355-C369 PolarHBondContact SG-SG 3.29Å; C365-C369 VanDerWaalsContact O-CB 3.23Å; C365-C369 WeakPolarHBondContact O-CB 3.23Å; C365-C369 PolarHBondContact O-N 2.88Å; C365-C369 PolarHBondContact O-SG 2.03Å; C365-C369 VanDerWaalsContact O-SG 3.39Å; R367-C369 VanDerWaalsContact C-N 3.27Å; R367-C369 PolarHBondContact O-N 3.12Å; C369-I371 VanDerWaalsContact C-N 3.34Å; C369-I371 HydrophobicContact CB-CD1 3.74Å; C369-I371 HydrophobicContact CB-CG1 3.8Å; C369-I371 PolarHBondContact O-N 3.22Å
370R77.8Confident73.1Confident222 Ų22278.9 Ų78.984%0.83839%0.388SS*.THydrogen-bonded Turntrans54.644.2179.5-54.6-176.3-178.6-172.70.4114P366 R367 S368P366-R370 PolarHBondContact O-N 2.04Å; P366-R370 VanDerWaalsContact O-N 3.09Å; R367-R370 PolarHBondContact O-N 3.29Å; R367-R370 VanDerWaalsContact O-N 3.14Å; S368-R370 VanDerWaalsContact C-N 3.32Å
371I71.3Confident73.6Confident104 Ų10479.7 Ų79.753%0.53338%0.38SS..  trans-94-16.3179.6-53.6180000111.1A362 P366 C369A362-I371 HydrophobicContact CB-CD1 3.37Å; P366-I371 PolarHBondContact O-N 3.43Å; C369-I371 VanDerWaalsContact C-N 3.34Å; C369-I371 HydrophobicContact CB-CD1 3.74Å; C369-I371 HydrophobicContact CB-CG1 3.8Å; C369-I371 PolarHBondContact O-N 3.22Å
372C62.4Low74.8Confident107 Ų10785.9 Ų85.972%0.72341%0.408SS*.  trans-98.5017660.90000113.7Q338Q338-C372 HydrophobicContact CG-CB 3.95Å

Retrieved 372 of 372 residues in 245.3 ms (Link to these results)

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