A0A096NGB1_PAPAN Loading...

Serine and arginine rich splicing factor 4

AlphaFold DB , UniProt , Accession A0A096NGB1, Species PAPAN (Papio anubis, Olive baboon), Gene SRSF4, Length 494 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
1M61.3Low83.4Confident177 Ų17762.4 Ų62.487%0.87227%0.267SS*.  069.30-53.3-168.991.100109R3 E41M1-R3 PolarHBondContact O-N 2.6Å; M1-E41 WeakPolarHBondContact CA-OE1 3.13Å; M1-E41 WeakPolarHBondContact CB-OE1 3.42Å; M1-E41 WeakPolarHBondContact CE-OE1 3.48Å; M1-E41 WeakPolarHBondContact CG-OE1 3.36Å
2P80.6Confident83.1Confident12 Ų1267.8 Ų67.88%0.07829%0.294CS..  trans-71.999.9166.44.914.2000108.3E41 F42 D44 L45 A48P2-E41 WeakPolarHBondContact O-CA 3.37Å; P2-F42 HydrophobicContact CB-CB 4.28Å; P2-F42 WeakPolarHBondContact CD-O 3.38Å; P2-F42 HydrophobicContact CG-CB 4.26Å; P2-F42 WeakPolarHBondContact CG-O 3.4Å; P2-F42 PolarHBondContact O-N 3.47Å; P2-D44 VanDerWaalsContact CG-C 3.41Å; P2-D44 WeakPolarHBondContact CG-O 2.77Å; P2-L45 HydrophobicContact CB-CB 4.44Å; P2-L45 HydrophobicContact CB-CD1 3.91Å; P2-L45 HydrophobicContact CB-CG 4.39Å; P2-L45 HydrophobicContact CG-CB 4.35Å; P2-L45 HydrophobicContact CG-CD1 4.24Å; P2-A48 HydrophobicContact CB-CB 3.71Å
3R86.3Confident82.9Confident47 Ų4763.9 Ų63.918%0.17728%0.283CS..EExtended strand (participates in β ladder)trans-104.6126.7176-160.2173.4-162.1-144.92.7108.9M1 D32 F39 V40 E41 A70M1-R3 PolarHBondContact O-N 2.6Å; R3-D32 IonicContact CZ-OD2 2.8Å; R3-D32 IonicContact NH2-OD2 2.79Å; R3-D32 PolarHBondContact NH2-OD2 3.34Å; R3-F39 HydrophobicContact CG-CB 4.18Å; R3-V40 CarbonylContact C-O 3.5Å; R3-V40 WeakPolarHBondContact CA-O 3.2Å; R3-E41 HydrophobicContact CG-CB 4.41Å; R3-A70 HydrophobicContact CB-CB 3.98Å; R3-A70 HydrophobicContact CG-CB 3.99Å; R3-A70 WeakPolarHBondContact O-CA 3.38Å; R3-A70 VanDerWaalsContact O-CB 3.24Å; R3-A70 WeakPolarHBondContact O-CB 3.35Å; R3-A70 PolarHBondContact O-N 3.36Å
4V90.4Very high83.2Confident0 Ų072.6 Ų72.60%031%0.312CS..EExtended strand (participates in β ladder)trans-98.4141.8173.7176.20000108.1F22 F39 V40 F42 A48 V52 V67 E68V4-F22 HydrophobicContact CG1-CE1 4.26Å; V4-F22 HydrophobicContact CG1-CZ 4.38Å; V4-F39 CarbonylContact O-C 3.6Å; V4-F39 WeakPolarHBondContact O-CA 3.25Å; V4-V40 PolarHBondContact N-O 3.02Å; V4-V40 PolarHBondContact O-N 2.68Å; V4-F42 HydrophobicContact CB-CD2 4.44Å; V4-F42 HydrophobicContact CB-CE2 4.06Å; V4-F42 HydrophobicContact CG2-CD2 3.77Å; V4-F42 HydrophobicContact CG2-CE2 3.63Å; V4-A48 HydrophobicContact CG2-CB 3.72Å; V4-V52 HydrophobicContact CG1-CG2 3.93Å; V4-V52 HydrophobicContact CG2-CG2 3.94Å; V4-V67 HydrophobicContact CG1-CG1 3.34Å; V4-E68 CarbonylContact C-O 3.49Å
5Y91.1Very high83.4Confident69 Ų6974.7 Ų74.727%0.27132%0.324SS..EExtended strand (participates in β ladder)trans-105.9138.1172.2165.7-102.8000108.8G7 Y37 F39 V67 E68Y5-G7 WeakPolarHBondContact OH-CA 3.28Å; Y5-Y37 AromaticContact CE2-CD2 3.82Å; Y5-Y37 HydrophobicContact CE2-CD2 3.82Å; Y5-Y37 HydrophobicContact CE2-CG 4.13Å; Y5-F39 HydrophobicContact CD2-CD1 4Å; Y5-F39 AromaticContact CD2-CE1 3.56Å; Y5-F39 HydrophobicContact CD2-CE1 3.56Å; Y5-F39 AromaticContact CD2-CZ 4Å; Y5-F39 HydrophobicContact CD2-CZ 4Å; Y5-F39 HydrophobicContact CE2-CE1 4.48Å; Y5-F39 HydrophobicContact CG-CE1 4.29Å; Y5-V67 WeakPolarHBondContact O-CA 3.45Å; Y5-E68 HydrophobicContact CD1-CB 4.43Å; Y5-E68 PolarHBondContact N-O 2.89Å; Y5-E68 PolarHBondContact O-N 3.12Å
6I89.6Confident83.7Confident0 Ų081.2 Ų81.20%035%0.346CS..EExtended strand (participates in β ladder)trans-120.1109.8175.9-42.3162.5000107.4L9 V18 F22 Y37 G38 V40 V65 I66 V67I6-L9 HydrophobicContact CB-CD1 3.67Å; I6-L9 HydrophobicContact CB-CG 4.2Å; I6-L9 HydrophobicContact CD1-CD1 4.18Å; I6-L9 HydrophobicContact CG2-CD1 3.67Å; I6-L9 HydrophobicContact CG2-CD2 4.06Å; I6-L9 HydrophobicContact CG2-CG 3.61Å; I6-V18 HydrophobicContact CD1-CG1 3.63Å; I6-V18 HydrophobicContact CD1-CG2 4.29Å; I6-F22 HydrophobicContact CD1-CD2 4.41Å; I6-F22 HydrophobicContact CD1-CE2 3.43Å; I6-F22 VanDerWaalsContact CD1-CE2 3.43Å; I6-F22 HydrophobicContact CD1-CZ 3.93Å; I6-F22 HydrophobicContact CG1-CE2 3.94Å; I6-F22 HydrophobicContact CG1-CZ 3.89Å; I6-Y37 CarbonylContact O-C 3.57Å; I6-Y37 WeakPolarHBondContact O-CA 3.49Å; I6-Y37 VanDerWaalsContact O-CB 3.31Å; I6-Y37 WeakPolarHBondContact O-CB 3.47Å; I6-G38 PolarHBondContact N-O 3.45Å; I6-G38 PolarHBondContact O-N 2.91Å; I6-V40 HydrophobicContact CD1-CG2 3.7Å; I6-V65 HydrophobicContact CG2-CB 3.84Å; I6-V65 HydrophobicContact CG2-CG1 3.92Å; I6-V65 HydrophobicContact CG2-CG2 4.49Å; I6-I66 CarbonylContact C-O 3.56Å; I6-I66 WeakPolarHBondContact CA-O 3.46Å; I6-V67 HydrophobicContact CG2-CG2 4.48Å
7G87.4Confident83.9Confident3 Ų378.6 Ų78.63%0.03134%0.338CS..EExtended strand (participates in β ladder)trans-96.4161.6170.600000111.9Y5 L9 V65 I66Y5-G7 WeakPolarHBondContact OH-CA 3.28Å; G7-L9 VanDerWaalsContact C-N 3.28Å; G7-L9 PolarHBondContact O-N 3.42Å; G7-V65 CarbonylContact O-C 3.24Å; G7-V65 WeakPolarHBondContact O-CA 3.22Å; G7-I66 PolarHBondContact N-O 2.95Å; G7-I66 PolarHBondContact O-N 2.86Å
8R84.4Confident84.1Confident166 Ų16674.3 Ų74.363%0.62632%0.319SS*.SBendtrans56.740.9-179.3-58.2-174.3177.3-176-1.7113.1G36 V65 I66R8-G36 PolarHBondContact N-O 2.82Å; R8-G36 VanDerWaalsContact N-O 3.13Å; R8-V65 WeakPolarHBondContact O-CG1 2.79Å; R8-I66 HydrophobicContact CG-CD1 4.1Å; R8-I66 HydrophobicContact CG-CG1 4.43Å
9L85.1Confident84.2Confident5 Ų575.3 Ų75.33%0.02633%0.325CS..  trans-75126.6166.2-85.7158.5000109I6 G7 A13 V18 L33 G36 L60 V65I6-L9 HydrophobicContact CB-CD1 3.67Å; I6-L9 HydrophobicContact CB-CG 4.2Å; I6-L9 HydrophobicContact CD1-CD1 4.18Å; I6-L9 HydrophobicContact CG2-CD1 3.67Å; I6-L9 HydrophobicContact CG2-CD2 4.06Å; I6-L9 HydrophobicContact CG2-CG 3.61Å; G7-L9 VanDerWaalsContact C-N 3.28Å; G7-L9 PolarHBondContact O-N 3.42Å; L9-A13 HydrophobicContact CD2-CB 3.85Å; L9-V18 HydrophobicContact CD2-CG2 4.01Å; L9-L33 HydrophobicContact CD1-CD2 3.45Å; L9-L33 VanDerWaalsContact CD1-CD2 3.45Å; L9-G36 PolarHBondContact N-O 2.79Å; L9-G36 VanDerWaalsContact N-O 3.14Å; L9-G36 WeakPolarHBondContact O-CA 3.34Å; L9-L60 HydrophobicContact CD2-CD1 3.88Å; L9-L60 HydrophobicContact CD2-CD2 4.1Å; L9-V65 HydrophobicContact CD2-CG1 3.84Å; L9-V65 HydrophobicContact CG-CG1 4Å
10S80.9Confident84.3Confident13 Ų1379.1 Ų79.19%0.09134%0.337CS..  trans-57.9146174.8-167.70000111.3Q12 A13 E63S10-Q12 PolarHBondContact O-N 2.79Å; S10-A13 VanDerWaalsContact O-CB 3.3Å; S10-A13 WeakPolarHBondContact O-CB 3.4Å; S10-A13 PolarHBondContact O-N 3.06Å; S10-E63 WeakPolarHBondContact CA-OE1 3.44Å; S10-E63 WeakPolarHBondContact CB-OE1 3.39Å; S10-E63 PolarHBondContact OG-OE1 3.23Å
11Y80.7Confident84.4Confident194 Ų19477 Ų7776%0.76133%0.329SS*.THydrogen-bonded Turntrans-59.9-16.1-177.8-66.9-82.3000114.5
12Q80Confident85.6Confident127 Ų12768.6 Ų68.659%0.59329%0.287SS*.THydrogen-bonded Turntrans-89.9-14.1175.263.4-178-22.500114.5S10 R14 C61S10-Q12 PolarHBondContact O-N 2.79Å; Q12-R14 PolarHBondContact O-N 3.15Å; Q12-C61 HydrophobicContact CG-CB 3.78Å; Q12-C61 PolarHBondContact NE2-O 2.86Å
13A80.1Confident85.7Confident18 Ų1876.1 Ų76.115%0.14932%0.319CS..  trans-68.5128.3-175.600000111.4L9 S10 L60 C61L9-A13 HydrophobicContact CD2-CB 3.85Å; S10-A13 VanDerWaalsContact O-CB 3.3Å; S10-A13 WeakPolarHBondContact O-CB 3.4Å; S10-A13 PolarHBondContact O-N 3.06Å; A13-L60 HydrophobicContact CB-CD2 3.79Å; A13-C61 HydrophobicContact CB-CB 4.4Å
14R86.8Confident85.4Confident185 Ų18577.5 Ų77.570%0.69835%0.347SS*.  trans-112.3169.5-179.8-58.8-179.6179.8-176.7-1.5111.2Q12 R16 D17 V18Q12-R14 PolarHBondContact O-N 3.15Å; R14-R16 VanDerWaalsContact C-N 3.25Å; R14-R16 PolarHBondContact O-N 2.88Å; R14-D17 WeakPolarHBondContact CB-OD2 3.3Å; R14-D17 PolarHBondContact N-OD2 2.94Å; R14-D17 WeakPolarHBondContact O-CB 3.15Å; R14-D17 PolarHBondContact O-N 3.04Å; R14-V18 PolarHBondContact O-N 3.15Å; R14-V18 VanDerWaalsContact O-N 3.11Å
15E86.1Confident85Confident105 Ų10580.1 Ų80.149%0.49136%0.358SS..Hα-helixtrans-47.3-48.9174.3-174.3170.5-151.800111.7D17 V18 E19 V31 L33E15-D17 PolarHBondContact O-N 2.82Å; E15-D17 VanDerWaalsContact O-N 3.16Å; E15-V18 CarbonylContact O-C 3.55Å; E15-V18 PolarHBondContact O-N 3.26Å; E15-V18 VanDerWaalsContact O-N 3.11Å; E15-E19 HydrophobicContact CG-CG 4.42Å; E15-E19 WeakPolarHBondContact O-CB 3.49Å; E15-E19 WeakPolarHBondContact O-CG 3.2Å; E15-E19 PolarHBondContact O-N 3.41Å; E15-V31 HydrophobicContact CG-CB 4.08Å; E15-V31 HydrophobicContact CG-CG1 4.11Å; E15-V31 HydrophobicContact CG-CG2 4.48Å; E15-L33 HydrophobicContact CB-CD1 4.07Å
16R87.8Confident84.6Confident178 Ų17878 Ų7867%0.67236%0.357SS*.Hα-helixtrans-59.9-25.9177.1-62.7-179.2-178177.2-0.5115.4R14 E19 R20R14-R16 VanDerWaalsContact C-N 3.25Å; R14-R16 PolarHBondContact O-N 2.88Å; R16-E19 WeakPolarHBondContact CA-OE2 3.38Å; R16-R20 WeakPolarHBondContact O-CB 3.28Å; R16-R20 WeakPolarHBondContact O-CG 3.5Å; R16-R20 PolarHBondContact O-N 3.24Å; R16-R20 PolarHBondContact O-NE 3.23Å; R16-R20 VanDerWaalsContact O-NE 3.16Å
17D87.8Confident84.4Confident38 Ų3884.9 Ų84.920%0.20339%0.387CS..Hα-helixtrans-82.3-39.7178-54.2-56.8000110.3R14 E15 R20 F21 L60R14-D17 WeakPolarHBondContact CB-OD2 3.3Å; R14-D17 PolarHBondContact N-OD2 2.94Å; R14-D17 WeakPolarHBondContact O-CB 3.15Å; R14-D17 PolarHBondContact O-N 3.04Å; E15-D17 PolarHBondContact O-N 2.82Å; E15-D17 VanDerWaalsContact O-N 3.16Å; D17-R20 PolarHBondContact O-N 2.75Å; D17-R20 IonicContact OD1-CZ 2.77Å; D17-R20 IonicContact OD1-NE 3.82Å; D17-R20 IonicContact OD1-NH2 2.57Å; D17-R20 PolarHBondContact OD1-NH2 3.5Å; D17-F21 WeakPolarHBondContact O-CB 3.41Å; D17-F21 PolarHBondContact O-N 3Å; D17-L60 HydrophobicContact CB-CD2 4.24Å
18V86.9Confident84.5Confident0 Ų087.3 Ų87.30%040%0.398CS..Hα-helixtrans-66.1-47.8172.4174.20000111I6 L9 R14 E15 R20 F21 F22 V31 L33 V40 L60I6-V18 HydrophobicContact CD1-CG1 3.63Å; I6-V18 HydrophobicContact CD1-CG2 4.29Å; L9-V18 HydrophobicContact CD2-CG2 4.01Å; R14-V18 PolarHBondContact O-N 3.15Å; R14-V18 VanDerWaalsContact O-N 3.11Å; E15-V18 CarbonylContact O-C 3.55Å; E15-V18 PolarHBondContact O-N 3.26Å; E15-V18 VanDerWaalsContact O-N 3.11Å; V18-R20 VanDerWaalsContact C-N 3.3Å; V18-R20 PolarHBondContact O-N 2.86Å; V18-F21 PolarHBondContact O-N 3.32Å; V18-F21 VanDerWaalsContact O-N 3.09Å; V18-F22 HydrophobicContact CG1-CD2 3.72Å; V18-F22 HydrophobicContact CG1-CE2 3.94Å; V18-F22 WeakPolarHBondContact O-CD2 3.47Å; V18-F22 PolarHBondContact O-N 3.42Å; V18-V31 HydrophobicContact CG1-CG1 4.21Å; V18-L33 HydrophobicContact CB-CD1 4.4Å; V18-L33 HydrophobicContact CG2-CD1 4Å; V18-L33 HydrophobicContact CG2-CD2 4.09Å; V18-V40 HydrophobicContact CG1-CG2 3.56Å; V18-L60 HydrophobicContact CG2-CD1 4.33Å
19E87.3Confident84.6Confident93 Ų9384.5 Ų84.544%0.43540%0.395SS..Hα-helixtrans-50-50.5171.3-74.7-179.3133.500111E15 R16 F21 K23E15-E19 HydrophobicContact CG-CG 4.42Å; E15-E19 WeakPolarHBondContact O-CB 3.49Å; E15-E19 WeakPolarHBondContact O-CG 3.2Å; E15-E19 PolarHBondContact O-N 3.41Å; R16-E19 WeakPolarHBondContact CA-OE2 3.38Å; E19-F21 PolarHBondContact O-N 3.44Å; E19-K23 WeakPolarHBondContact O-CB 3.26Å; E19-K23 PolarHBondContact O-N 2.91Å
20R85.5Confident84.6Confident151 Ų15189.6 Ų89.657%0.5742%0.419SS*.Hα-helixtrans-63.8-36.8177.9-83.7-174.3-72.3-98.24.1113.7R16 D17 V18R16-R20 WeakPolarHBondContact O-CB 3.28Å; R16-R20 WeakPolarHBondContact O-CG 3.5Å; R16-R20 PolarHBondContact O-N 3.24Å; R16-R20 PolarHBondContact O-NE 3.23Å; R16-R20 VanDerWaalsContact O-NE 3.16Å; D17-R20 PolarHBondContact O-N 2.75Å; D17-R20 IonicContact OD1-CZ 2.77Å; D17-R20 IonicContact OD1-NE 3.82Å; D17-R20 IonicContact OD1-NH2 2.57Å; D17-R20 PolarHBondContact OD1-NH2 3.5Å; V18-R20 VanDerWaalsContact C-N 3.3Å; V18-R20 PolarHBondContact O-N 2.86Å
21F85.7Confident84.9Confident36 Ų3690.1 Ų90.116%0.15842%0.421CS..Hα-helixtrans-74.9-33.6-176.9179.3-96.9000112.6D17 V18 E19 L55 K58 L60 V65 V67D17-F21 WeakPolarHBondContact O-CB 3.41Å; D17-F21 PolarHBondContact O-N 3Å; V18-F21 PolarHBondContact O-N 3.32Å; V18-F21 VanDerWaalsContact O-N 3.09Å; E19-F21 PolarHBondContact O-N 3.44Å; F21-L55 HydrophobicContact CD1-CB 4.47Å; F21-L55 HydrophobicContact CD1-CD1 4.03Å; F21-L55 HydrophobicContact CD1-CD2 4.14Å; F21-L55 HydrophobicContact CD1-CG 4.45Å; F21-L55 HydrophobicContact CE1-CB 3.63Å; F21-L55 HydrophobicContact CE1-CD1 4.01Å; F21-L55 HydrophobicContact CE1-CD2 3.89Å; F21-L55 HydrophobicContact CE1-CG 4.06Å; F21-L55 HydrophobicContact CE2-CD2 4.3Å; F21-L55 HydrophobicContact CG-CD2 4.49Å; F21-L55 HydrophobicContact CZ-CB 3.95Å; F21-L55 HydrophobicContact CZ-CD2 3.96Å; F21-L55 HydrophobicContact CZ-CG 4.46Å; F21-K58 HydrophobicContact CE2-CB 3.86Å; F21-K58 HydrophobicContact CZ-CB 3.88Å; F21-L60 HydrophobicContact CB-CD1 3.88Å; F21-L60 HydrophobicContact CB-CG 4.42Å; F21-L60 HydrophobicContact CD1-CD1 3.63Å; F21-L60 HydrophobicContact CD2-CB 4.25Å; F21-L60 HydrophobicContact CD2-CD1 3.8Å; F21-L60 HydrophobicContact CD2-CG 3.92Å; F21-L60 HydrophobicContact CE1-CD1 3.93Å; F21-L60 HydrophobicContact CE2-CB 4.05Å; F21-L60 HydrophobicContact CE2-CD1 4.12Å; F21-L60 HydrophobicContact CE2-CG 4.23Å; F21-L60 HydrophobicContact CG-CD1 3.53Å; F21-L60 HydrophobicContact CG-CG 4.12Å; F21-L60 HydrophobicContact CZ-CB 4.43Å; F21-L60 HydrophobicContact CZ-CD1 4.17Å; F21-V65 HydrophobicContact CE1-CG2 3.89Å; F21-V65 HydrophobicContact CE2-CG2 4.34Å; F21-V65 HydrophobicContact CZ-CG2 3.46Å; F21-V65 VanDerWaalsContact CZ-CG2 3.46Å; F21-V67 HydrophobicContact CE1-CG2 4.49Å
22F86.1Confident85.3Confident0 Ų082.7 Ų82.70%040%0.395CS..Hα-helixtrans-90.5-9.5173.4-72.6-84.1000113.5V4 I6 V18 G24 Y25 I28 V40 F42 A51 L55 V67V4-F22 HydrophobicContact CG1-CE1 4.26Å; V4-F22 HydrophobicContact CG1-CZ 4.38Å; I6-F22 HydrophobicContact CD1-CD2 4.41Å; I6-F22 HydrophobicContact CD1-CE2 3.43Å; I6-F22 VanDerWaalsContact CD1-CE2 3.43Å; I6-F22 HydrophobicContact CD1-CZ 3.93Å; I6-F22 HydrophobicContact CG1-CE2 3.94Å; I6-F22 HydrophobicContact CG1-CZ 3.89Å; V18-F22 HydrophobicContact CG1-CD2 3.72Å; V18-F22 HydrophobicContact CG1-CE2 3.94Å; V18-F22 WeakPolarHBondContact O-CD2 3.47Å; V18-F22 PolarHBondContact O-N 3.42Å; F22-G24 PolarHBondContact O-N 3.35Å; F22-G24 VanDerWaalsContact O-N 3.16Å; F22-Y25 PolarHBondContact O-N 3.46Å; F22-I28 HydrophobicContact CB-CD1 3.9Å; F22-V40 HydrophobicContact CD2-CG2 4.26Å; F22-V40 HydrophobicContact CE2-CG2 4.28Å; F22-F42 HydrophobicContact CB-CZ 4.06Å; F22-F42 HydrophobicContact CD1-CE2 4.19Å; F22-F42 AromaticContact CD1-CZ 3.53Å; F22-F42 HydrophobicContact CD1-CZ 3.53Å; F22-F42 HydrophobicContact CE1-CZ 4.28Å; F22-F42 HydrophobicContact CG-CZ 4.01Å; F22-A51 HydrophobicContact CD1-CB 3.9Å; F22-A51 HydrophobicContact CE1-CB 4.03Å; F22-L55 HydrophobicContact CB-CD1 4.47Å; F22-L55 HydrophobicContact CD1-CD1 3.14Å; F22-L55 HydrophobicContact CD2-CD1 4.45Å; F22-L55 HydrophobicContact CE1-CB 4.44Å; F22-L55 HydrophobicContact CE1-CD1 3.28Å; F22-L55 HydrophobicContact CE1-CG 4.47Å; F22-L55 HydrophobicContact CG-CD1 3.81Å; F22-L55 HydrophobicContact CZ-CD1 3.98Å; F22-V67 HydrophobicContact CE1-CG1 4.05Å; F22-V67 HydrophobicContact CZ-CG1 3.96Å; F22-V67 HydrophobicContact CZ-CG2 4.25Å
23K82.7Confident85.6Confident171 Ų17179.2 Ų79.274%0.74338%0.38SS*.THydrogen-bonded Turntrans-64.5112.8176.5-178.2176.4-177.4179.30111.3E19E19-K23 WeakPolarHBondContact O-CB 3.26Å; E19-K23 PolarHBondContact O-N 2.91Å
24G81.2Confident85.9Confident75 Ų7582.4 Ų82.477%0.77339%0.391SS*.THydrogen-bonded Turntrans125.7-27.2-178.600000112.6F22F22-G24 PolarHBondContact O-N 3.35Å; F22-G24 VanDerWaalsContact O-N 3.16Å
25Y82.4Confident85.6Confident56 Ų5680.3 Ų80.322%0.2239%0.393CS..THydrogen-bonded Turntrans-88.1-28.2178.3-62.6-82.5000113.1F22 D47 A51 E54 L55 K58F22-Y25 PolarHBondContact O-N 3.46Å; Y25-D47 WeakPolarHBondContact O-CA 3.33Å; Y25-D47 WeakPolarHBondContact O-CB 3.37Å; Y25-A51 HydrophobicContact CG-CB 4.25Å; Y25-E54 HydrophobicContact CE1-CB 3.57Å; Y25-E54 HydrophobicContact CE1-CG 4.04Å; Y25-E54 WeakPolarHBondContact CE1-OE2 3.31Å; Y25-E54 PolarHBondContact OH-OE2 2.91Å; Y25-L55 HydrophobicContact CD2-CD1 3.75Å; Y25-L55 HydrophobicContact CD2-CD2 4.27Å; Y25-L55 HydrophobicContact CD2-CG 4.19Å; Y25-L55 HydrophobicContact CE2-CD1 3.89Å; Y25-L55 HydrophobicContact CE2-CD2 3.54Å; Y25-L55 HydrophobicContact CE2-CG 3.85Å; Y25-L55 HydrophobicContact CG-CD1 4.35Å; Y25-K58 PolarHBondContact OH-NZ 3.44Å
26G82.9Confident85.3Confident25 Ų2576.3 Ų76.326%0.25838%0.38SS..  trans179.2-175.5177.300000115.7D47G26-D47 WeakPolarHBondContact CA-OD2 3.28Å
27K84.8Confident85.3Confident144 Ų14472.1 Ų72.163%0.62637%0.365SS*.  trans-88.2126.3170.7-68.4179-170.7166.80110.6F42 D43 D47K27-F42 WeakPolarHBondContact O-CA 3.48Å; K27-D43 HydrophobicContact CB-CB 3.94Å; K27-D43 PolarHBondContact O-N 3.21Å; K27-D47 PolarHBondContact N-OD2 2.86Å
28I89.3Confident85.4Confident53 Ų5370.3 Ų70.327%0.27236%0.356SS..EExtended strand (participates in β ladder)trans-88.6133.5174.3-58.2170.5000108.9F22 V31 V40 E41 F42F22-I28 HydrophobicContact CB-CD1 3.9Å; I28-V31 HydrophobicContact CG2-CG2 3.62Å; I28-V40 HydrophobicContact CB-CG1 4.28Å; I28-V40 HydrophobicContact CD1-CG1 4.11Å; I28-V40 HydrophobicContact CG1-CG1 3.8Å; I28-V40 HydrophobicContact CG2-CG1 3.66Å; I28-E41 CarbonylContact C-O 3.6Å; I28-E41 WeakPolarHBondContact CA-O 3.46Å; I28-F42 HydrophobicContact CG1-CE1 4.12Å; I28-F42 HydrophobicContact CG1-CZ 4.38Å
29L87.3Confident85.6Confident107 Ų10772.3 Ų72.356%0.5636%0.364SS*.EExtended strand (participates in β ladder)trans-97.2-40174.6-63.7-179.5000112.4E41 F42 D43L29-E41 HydrophobicContact CD1-CG 4.47Å; L29-E41 PolarHBondContact N-O 2.85Å; L29-F42 WeakPolarHBondContact CD1-O 3.44Å; L29-D43 HydrophobicContact CD2-CB 4.33Å; L29-D43 HydrophobicContact CG-CB 4.38Å
30E83.5Confident85.8Confident112 Ų11267.9 Ų67.952%0.52334%0.344SS..EExtended strand (participates in β ladder)trans-150.2139.4-177.2-169.3-175.4143.900110.6V40 E41E30-V40 WeakPolarHBondContact O-CA 3.38Å; E30-E41 HydrophobicContact CB-CB 4.34Å; E30-E41 PolarHBondContact O-N 3.47Å
31V88.3Confident86Confident24 Ų2461.7 Ų61.715%0.14532%0.321CS..EExtended strand (participates in β ladder)trans-118.6121.2171-176.30000109.4E15 V18 I28 L33 V40E15-V31 HydrophobicContact CG-CB 4.08Å; E15-V31 HydrophobicContact CG-CG1 4.11Å; E15-V31 HydrophobicContact CG-CG2 4.48Å; V18-V31 HydrophobicContact CG1-CG1 4.21Å; I28-V31 HydrophobicContact CG2-CG2 3.62Å; V31-L33 HydrophobicContact CG1-CD1 3.87Å; V31-L33 HydrophobicContact CG1-CG 3.9Å; V31-V40 HydrophobicContact CG1-CG2 4.5Å; V31-V40 HydrophobicContact CG2-CG2 4.48Å
32D88Confident86.2Confident39 Ų3960 Ų6021%0.20931%0.313CS..EExtended strand (participates in β ladder)trans-119.486.8-178172.323.9000109.4R3 K34 G38 F39R3-D32 IonicContact CZ-OD2 2.8Å; R3-D32 IonicContact NH2-OD2 2.79Å; R3-D32 PolarHBondContact NH2-OD2 3.34Å; D32-K34 IonicContact OD1-NZ 3.95Å; D32-K34 PolarHBondContact OD1-NZ 3Å; D32-K34 IonicContact OD2-NZ 3.9Å; D32-K34 PolarHBondContact OD2-NZ 3.28Å; D32-G38 CarbonylContact O-C 3.59Å; D32-G38 VanDerWaalsContact O-CA 3.28Å; D32-G38 WeakPolarHBondContact O-CA 3.2Å; D32-F39 HydrophobicContact CB-CB 4.32Å; D32-F39 HydrophobicContact CB-CD2 4.46Å; D32-F39 PolarHBondContact N-O 2.88Å; D32-F39 PolarHBondContact O-N 2.73Å; D32-F39 WeakPolarHBondContact OD2-CD2 3.41Å
33L87.4Confident86.3Confident54 Ų5464.6 Ų64.628%0.28334%0.338SS..EExtended strand (participates in β ladder)trans-92.1138.1-177.5-83.6164.4000113.3L9 E15 V18 V31L9-L33 HydrophobicContact CD1-CD2 3.45Å; L9-L33 VanDerWaalsContact CD1-CD2 3.45Å; E15-L33 HydrophobicContact CB-CD1 4.07Å; V18-L33 HydrophobicContact CB-CD1 4.4Å; V18-L33 HydrophobicContact CG2-CD1 4Å; V18-L33 HydrophobicContact CG2-CD2 4.09Å; V31-L33 HydrophobicContact CG1-CD1 3.87Å; V31-L33 HydrophobicContact CG1-CG 3.9Å
34K85.1Confident86.5Confident84 Ų8459.8 Ų59.837%0.36532%0.321SS..EExtended strand (participates in β ladder)trans-135.3169177.8-63.1-178.6173.965.50109.6D32 G36 Y37D32-K34 IonicContact OD1-NZ 3.95Å; D32-K34 PolarHBondContact OD1-NZ 3Å; D32-K34 IonicContact OD2-NZ 3.9Å; D32-K34 PolarHBondContact OD2-NZ 3.28Å; K34-G36 PolarHBondContact O-N 3.18Å; K34-G36 VanDerWaalsContact O-N 3.07Å; K34-Y37 CarbonylContact C-O 3.5Å; K34-Y37 VanDerWaalsContact C-O 3.24Å; K34-Y37 VanDerWaalsContact CA-O 3.3Å; K34-Y37 WeakPolarHBondContact CA-O 3.39Å; K34-Y37 HydrophobicContact CB-CD1 4.45Å; K34-Y37 HydrophobicContact CB-CD2 4.42Å; K34-Y37 HydrophobicContact CB-CE1 4.09Å; K34-Y37 HydrophobicContact CB-CE2 4.09Å; K34-Y37 WeakPolarHBondContact CB-O 3.43Å; K34-Y37 HydrophobicContact CD-CE2 3.72Å; K34-Y37 WeakPolarHBondContact CD-OH 3.34Å; K34-Y37 HydrophobicContact CG-CE2 4.42Å; K34-Y37 PolarHBondContact N-O 3.3Å; K34-Y37 PolarHBondContact O-N 2.97Å
35N81.8Confident86.7Confident141 Ų14161.1 Ų61.175%0.75431%0.309SS*.THydrogen-bonded Turntrans-65.9111.7-177.5-55.581.4000111
36G78.9Confident86.9Confident21 Ų2166.8 Ų66.822%0.21633%0.33CS..THydrogen-bonded Turntrans88.3-917900000115.8R8 L9 K34R8-G36 PolarHBondContact N-O 2.82Å; R8-G36 VanDerWaalsContact N-O 3.13Å; L9-G36 PolarHBondContact N-O 2.79Å; L9-G36 VanDerWaalsContact N-O 3.14Å; L9-G36 WeakPolarHBondContact O-CA 3.34Å; K34-G36 PolarHBondContact O-N 3.18Å; K34-G36 VanDerWaalsContact O-N 3.07Å
37Y88.6Confident87.2Confident91 Ų9167.5 Ų67.536%0.35733%0.329SS..EExtended strand (participates in β ladder)trans-161.1158.2-179.268.7-82000112.7Y5 I6 K34 F39Y5-Y37 AromaticContact CE2-CD2 3.82Å; Y5-Y37 HydrophobicContact CE2-CD2 3.82Å; Y5-Y37 HydrophobicContact CE2-CG 4.13Å; I6-Y37 CarbonylContact O-C 3.57Å; I6-Y37 WeakPolarHBondContact O-CA 3.49Å; I6-Y37 VanDerWaalsContact O-CB 3.31Å; I6-Y37 WeakPolarHBondContact O-CB 3.47Å; K34-Y37 CarbonylContact C-O 3.5Å; K34-Y37 VanDerWaalsContact C-O 3.24Å; K34-Y37 VanDerWaalsContact CA-O 3.3Å; K34-Y37 WeakPolarHBondContact CA-O 3.39Å; K34-Y37 HydrophobicContact CB-CD1 4.45Å; K34-Y37 HydrophobicContact CB-CD2 4.42Å; K34-Y37 HydrophobicContact CB-CE1 4.09Å; K34-Y37 HydrophobicContact CB-CE2 4.09Å; K34-Y37 WeakPolarHBondContact CB-O 3.43Å; K34-Y37 HydrophobicContact CD-CE2 3.72Å; K34-Y37 WeakPolarHBondContact CD-OH 3.34Å; K34-Y37 HydrophobicContact CG-CE2 4.42Å; K34-Y37 PolarHBondContact N-O 3.3Å; K34-Y37 PolarHBondContact O-N 2.97Å; Y37-F39 HydrophobicContact CD2-CE2 4.12Å; Y37-F39 HydrophobicContact CD2-CZ 4.4Å; Y37-F39 AromaticContact CE2-CE2 3.94Å; Y37-F39 HydrophobicContact CE2-CE2 3.94Å; Y37-F39 HydrophobicContact CE2-CZ 4.32Å
38G90.1Very high87.4Confident0 Ų060.7 Ų60.70%030%0.299CS..EExtended strand (participates in β ladder)trans-149.3177.5179.100000112.8I6 D32I6-G38 PolarHBondContact N-O 3.45Å; I6-G38 PolarHBondContact O-N 2.91Å; D32-G38 CarbonylContact O-C 3.59Å; D32-G38 VanDerWaalsContact O-CA 3.28Å; D32-G38 WeakPolarHBondContact O-CA 3.2Å
39F91.2Very high87.3Confident42 Ų4261.2 Ų61.218%0.18430%0.303CS..EExtended strand (participates in β ladder)trans-133.6148.6171.4-53-91.1000110.4R3 V4 Y5 D32 Y37 A70R3-F39 HydrophobicContact CG-CB 4.18Å; V4-F39 CarbonylContact O-C 3.6Å; V4-F39 WeakPolarHBondContact O-CA 3.25Å; Y5-F39 HydrophobicContact CD2-CD1 4Å; Y5-F39 AromaticContact CD2-CE1 3.56Å; Y5-F39 HydrophobicContact CD2-CE1 3.56Å; Y5-F39 AromaticContact CD2-CZ 4Å; Y5-F39 HydrophobicContact CD2-CZ 4Å; Y5-F39 HydrophobicContact CE2-CE1 4.48Å; Y5-F39 HydrophobicContact CG-CE1 4.29Å; D32-F39 HydrophobicContact CB-CB 4.32Å; D32-F39 HydrophobicContact CB-CD2 4.46Å; D32-F39 PolarHBondContact N-O 2.88Å; D32-F39 PolarHBondContact O-N 2.73Å; D32-F39 WeakPolarHBondContact OD2-CD2 3.41Å; Y37-F39 HydrophobicContact CD2-CE2 4.12Å; Y37-F39 HydrophobicContact CD2-CZ 4.4Å; Y37-F39 AromaticContact CE2-CE2 3.94Å; Y37-F39 HydrophobicContact CE2-CE2 3.94Å; Y37-F39 HydrophobicContact CE2-CZ 4.32Å; F39-A70 HydrophobicContact CD1-CB 3.76Å; F39-A70 HydrophobicContact CE1-CB 4.08Å
40V90.4Very high87.4Confident0 Ų060.8 Ų60.80%030%0.301CS..EExtended strand (participates in β ladder)trans-129.3125.7174.4179.50000107.1R3 V4 I6 V18 F22 I28 E30 V31 F42R3-V40 CarbonylContact C-O 3.5Å; R3-V40 WeakPolarHBondContact CA-O 3.2Å; V4-V40 PolarHBondContact N-O 3.02Å; V4-V40 PolarHBondContact O-N 2.68Å; I6-V40 HydrophobicContact CD1-CG2 3.7Å; V18-V40 HydrophobicContact CG1-CG2 3.56Å; F22-V40 HydrophobicContact CD2-CG2 4.26Å; F22-V40 HydrophobicContact CE2-CG2 4.28Å; I28-V40 HydrophobicContact CB-CG1 4.28Å; I28-V40 HydrophobicContact CD1-CG1 4.11Å; I28-V40 HydrophobicContact CG1-CG1 3.8Å; I28-V40 HydrophobicContact CG2-CG1 3.66Å; E30-V40 WeakPolarHBondContact O-CA 3.38Å; V31-V40 HydrophobicContact CG1-CG2 4.5Å; V31-V40 HydrophobicContact CG2-CG2 4.48Å; V40-F42 HydrophobicContact CB-CE2 3.95Å; V40-F42 HydrophobicContact CG1-CD2 4Å; V40-F42 HydrophobicContact CG1-CE2 3.4Å; V40-F42 VanDerWaalsContact CG1-CE2 3.4Å; V40-F42 HydrophobicContact CG1-CZ 3.72Å
41E89.6Confident87.7Confident20 Ų2055.4 Ų55.49%0.09328%0.276CS..EExtended strand (participates in β ladder)trans-97.3132.4170.1-174147.5162.500110M1 P2 R3 I28 L29 E30M1-E41 WeakPolarHBondContact CA-OE1 3.13Å; M1-E41 WeakPolarHBondContact CB-OE1 3.42Å; M1-E41 WeakPolarHBondContact CE-OE1 3.48Å; M1-E41 WeakPolarHBondContact CG-OE1 3.36Å; P2-E41 WeakPolarHBondContact O-CA 3.37Å; R3-E41 HydrophobicContact CG-CB 4.41Å; I28-E41 CarbonylContact C-O 3.6Å; I28-E41 WeakPolarHBondContact CA-O 3.46Å; L29-E41 HydrophobicContact CD1-CG 4.47Å; L29-E41 PolarHBondContact N-O 2.85Å; E30-E41 HydrophobicContact CB-CB 4.34Å; E30-E41 PolarHBondContact O-N 3.47Å
42F89.8Confident87.7Confident0 Ų055.1 Ų55.10%027%0.274CS..EExtended strand (participates in β ladder)trans-104161.5-179.4-75.4-93000112.2P2 V4 F22 K27 I28 L29 V40 D44 D47 A48 A51P2-F42 HydrophobicContact CB-CB 4.28Å; P2-F42 WeakPolarHBondContact CD-O 3.38Å; P2-F42 HydrophobicContact CG-CB 4.26Å; P2-F42 WeakPolarHBondContact CG-O 3.4Å; P2-F42 PolarHBondContact O-N 3.47Å; V4-F42 HydrophobicContact CB-CD2 4.44Å; V4-F42 HydrophobicContact CB-CE2 4.06Å; V4-F42 HydrophobicContact CG2-CD2 3.77Å; V4-F42 HydrophobicContact CG2-CE2 3.63Å; F22-F42 HydrophobicContact CB-CZ 4.06Å; F22-F42 HydrophobicContact CD1-CE2 4.19Å; F22-F42 AromaticContact CD1-CZ 3.53Å; F22-F42 HydrophobicContact CD1-CZ 3.53Å; F22-F42 HydrophobicContact CE1-CZ 4.28Å; F22-F42 HydrophobicContact CG-CZ 4.01Å; K27-F42 WeakPolarHBondContact O-CA 3.48Å; I28-F42 HydrophobicContact CG1-CE1 4.12Å; I28-F42 HydrophobicContact CG1-CZ 4.38Å; L29-F42 WeakPolarHBondContact CD1-O 3.44Å; V40-F42 HydrophobicContact CB-CE2 3.95Å; V40-F42 HydrophobicContact CG1-CD2 4Å; V40-F42 HydrophobicContact CG1-CE2 3.4Å; V40-F42 VanDerWaalsContact CG1-CE2 3.4Å; V40-F42 HydrophobicContact CG1-CZ 3.72Å; F42-D44 WeakPolarHBondContact CB-O 3.12Å; F42-D47 HydrophobicContact CD1-CB 4.04Å; F42-A48 HydrophobicContact CB-CB 4.11Å; F42-A48 HydrophobicContact CD2-CB 3.83Å; F42-A48 HydrophobicContact CG-CB 4.04Å; F42-A51 HydrophobicContact CZ-CB 4.19Å
43D88.2Confident87.7Confident97 Ų9762.7 Ų62.752%0.51930%0.301SS..SBendtrans-73.8-54.4173.7-158.129.8000111.2K27 L29K27-D43 HydrophobicContact CB-CB 3.94Å; K27-D43 PolarHBondContact O-N 3.21Å; L29-D43 HydrophobicContact CD2-CB 4.33Å; L29-D43 HydrophobicContact CG-CB 4.38Å
44D88.2Confident87.6Confident70 Ų7065 Ų6537%0.37431%0.31SS..SBendtrans-97152.5174.4-156.1-52.2000112.2P2 F42 R46 D47P2-D44 VanDerWaalsContact CG-C 3.41Å; P2-D44 WeakPolarHBondContact CG-O 2.77Å; F42-D44 WeakPolarHBondContact CB-O 3.12Å; D44-R46 WeakPolarHBondContact OD1-CG 3.39Å; D44-R46 PolarHBondContact OD1-N 3.25Å; D44-D47 HydrophobicContact CB-CB 4.27Å
45L84.1Confident87.7Confident103 Ų10361.2 Ų61.254%0.53929%0.294SS..Hα-helixtrans-70.4-35.2172.2-156.897.9000112P2 A48 D49P2-L45 HydrophobicContact CB-CB 4.44Å; P2-L45 HydrophobicContact CB-CD1 3.91Å; P2-L45 HydrophobicContact CB-CG 4.39Å; P2-L45 HydrophobicContact CG-CB 4.35Å; P2-L45 HydrophobicContact CG-CD1 4.24Å; L45-A48 WeakPolarHBondContact O-CB 3.21Å; L45-A48 PolarHBondContact O-N 2.98Å; L45-D49 PolarHBondContact O-N 3.26Å
46R88.4Confident87.9Confident175 Ų17558.5 Ų58.566%0.6628%0.279SS*.Hα-helixtrans-67-48.3-177.6-62.3170.3-176.3175.93.4111.5D44 A48 D49 D50D44-R46 WeakPolarHBondContact OD1-CG 3.39Å; D44-R46 PolarHBondContact OD1-N 3.25Å; R46-A48 PolarHBondContact O-N 3.35Å; R46-A48 VanDerWaalsContact O-N 3.12Å; R46-D49 WeakPolarHBondContact O-CA 3.27Å; R46-D49 WeakPolarHBondContact O-CB 3.37Å; R46-D49 PolarHBondContact O-N 2.9Å; R46-D50 PolarHBondContact O-N 3.42Å
47D89.2Confident88.1Confident41 Ų4158.2 Ų58.222%0.21928%0.277CS..Hα-helixtrans-46.7-40.5170-67.624.5000111.8Y25 G26 K27 F42 D44 A51Y25-D47 WeakPolarHBondContact O-CA 3.33Å; Y25-D47 WeakPolarHBondContact O-CB 3.37Å; G26-D47 WeakPolarHBondContact CA-OD2 3.28Å; K27-D47 PolarHBondContact N-OD2 2.86Å; F42-D47 HydrophobicContact CD1-CB 4.04Å; D44-D47 HydrophobicContact CB-CB 4.27Å; D47-A51 WeakPolarHBondContact O-CB 3.45Å; D47-A51 PolarHBondContact O-N 3.36Å
48A88.4Confident87.9Confident1 Ų157.7 Ų57.71%0.00828%0.276CS..Hα-helixtrans-78.3-3417800000114P2 V4 F42 L45 R46 V52P2-A48 HydrophobicContact CB-CB 3.71Å; V4-A48 HydrophobicContact CG2-CB 3.72Å; F42-A48 HydrophobicContact CB-CB 4.11Å; F42-A48 HydrophobicContact CD2-CB 3.83Å; F42-A48 HydrophobicContact CG-CB 4.04Å; L45-A48 WeakPolarHBondContact O-CB 3.21Å; L45-A48 PolarHBondContact O-N 2.98Å; R46-A48 PolarHBondContact O-N 3.35Å; R46-A48 VanDerWaalsContact O-N 3.12Å; A48-V52 WeakPolarHBondContact O-CB 3.46Å; A48-V52 WeakPolarHBondContact O-CG2 3.28Å; A48-V52 PolarHBondContact O-N 3.44Å
49D87.8Confident87.6Confident64 Ų6462.6 Ų62.634%0.34230%0.303SS..Hα-helixtrans-64.3-48.5171.5-67.2-46.7000110.9L45 R46 V52 Y53 H69L45-D49 PolarHBondContact O-N 3.26Å; R46-D49 WeakPolarHBondContact O-CA 3.27Å; R46-D49 WeakPolarHBondContact O-CB 3.37Å; R46-D49 PolarHBondContact O-N 2.9Å; D49-V52 PolarHBondContact O-N 3.18Å; D49-Y53 PolarHBondContact O-N 2.89Å; D49-H69 IonicContact OD1-CE1 2.68Å; D49-H69 PolarHBondContact OD1-CE1 3.41Å; D49-H69 IonicContact OD1-ND1 3.18Å; D49-H69 IonicContact OD1-NE2 3.66Å
50D88.7Confident87Confident97 Ų9761 Ų6152%0.51930%0.296SS..Hα-helixtrans-67.3-41.4179.2-68.1-27.6000111.3R46 V52 Y53 E54R46-D50 PolarHBondContact O-N 3.42Å; D50-V52 PolarHBondContact O-N 2.9Å; D50-Y53 PolarHBondContact O-N 3.11Å; D50-E54 PolarHBondContact O-N 2.87Å
51A88.6Confident86.3Confident0 Ų063.1 Ų63.10%031%0.31CS..Hα-helixtrans-59.6-43.7171.300000112.5F22 Y25 F42 D47 Y53 L55F22-A51 HydrophobicContact CD1-CB 3.9Å; F22-A51 HydrophobicContact CE1-CB 4.03Å; Y25-A51 HydrophobicContact CG-CB 4.25Å; F42-A51 HydrophobicContact CZ-CB 4.19Å; D47-A51 WeakPolarHBondContact O-CB 3.45Å; D47-A51 PolarHBondContact O-N 3.36Å; A51-Y53 VanDerWaalsContact C-N 3.34Å; A51-L55 HydrophobicContact CB-CD1 4.14Å; A51-L55 WeakPolarHBondContact O-CB 3.48Å; A51-L55 WeakPolarHBondContact O-CG 3.48Å; A51-L55 PolarHBondContact O-N 3.25Å
52V89.5Confident85.9Confident18 Ų1865.5 Ų65.511%0.10934%0.34CS..Hα-helixtrans-64.6-39.7175.9165.60000111V4 A48 D49 D50 N56 V67V4-V52 HydrophobicContact CG1-CG2 3.93Å; V4-V52 HydrophobicContact CG2-CG2 3.94Å; A48-V52 WeakPolarHBondContact O-CB 3.46Å; A48-V52 WeakPolarHBondContact O-CG2 3.28Å; A48-V52 PolarHBondContact O-N 3.44Å; D49-V52 PolarHBondContact O-N 3.18Å; D50-V52 PolarHBondContact O-N 2.9Å; V52-N56 WeakPolarHBondContact O-CB 3.45Å; V52-V67 HydrophobicContact CB-CG1 4.49Å; V52-V67 HydrophobicContact CG2-CG1 3.97Å
53Y87.8Confident85.4Confident198 Ų19869.1 Ų69.178%0.77636%0.357SS*.Hα-helixtrans-65.7-48.1179.1-173.9-100.9000112.4D49 D50 A51D49-Y53 PolarHBondContact O-N 2.89Å; D50-Y53 PolarHBondContact O-N 3.11Å; A51-Y53 VanDerWaalsContact C-N 3.34Å
54E85.9Confident85.3Confident103 Ų10371.9 Ų71.948%0.48136%0.36SS..Hα-helixtrans-88.1-26.2-172.7-89-153.2-143.900115.4Y25 D50 K58Y25-E54 HydrophobicContact CE1-CB 3.57Å; Y25-E54 HydrophobicContact CE1-CG 4.04Å; Y25-E54 WeakPolarHBondContact CE1-OE2 3.31Å; Y25-E54 PolarHBondContact OH-OE2 2.91Å; D50-E54 PolarHBondContact O-N 2.87Å; E54-K58 WeakPolarHBondContact O-CD 3.43Å; E54-K58 WeakPolarHBondContact O-CE 3.3Å; E54-K58 PolarHBondContact O-NZ 2.9Å; E54-K58 IonicContact OE2-NZ 3.92Å; E54-K58 PolarHBondContact OE2-NZ 2.88Å
55L85.9Confident85.4Confident4 Ų468.6 Ų68.62%0.02134%0.342CS..Hα-helixtrans-98-14.4-173.7-60.7171.6000113.6F21 F22 Y25 A51 G57 K58 V67F21-L55 HydrophobicContact CD1-CB 4.47Å; F21-L55 HydrophobicContact CD1-CD1 4.03Å; F21-L55 HydrophobicContact CD1-CD2 4.14Å; F21-L55 HydrophobicContact CD1-CG 4.45Å; F21-L55 HydrophobicContact CE1-CB 3.63Å; F21-L55 HydrophobicContact CE1-CD1 4.01Å; F21-L55 HydrophobicContact CE1-CD2 3.89Å; F21-L55 HydrophobicContact CE1-CG 4.06Å; F21-L55 HydrophobicContact CE2-CD2 4.3Å; F21-L55 HydrophobicContact CG-CD2 4.49Å; F21-L55 HydrophobicContact CZ-CB 3.95Å; F21-L55 HydrophobicContact CZ-CD2 3.96Å; F21-L55 HydrophobicContact CZ-CG 4.46Å; F22-L55 HydrophobicContact CB-CD1 4.47Å; F22-L55 HydrophobicContact CD1-CD1 3.14Å; F22-L55 HydrophobicContact CD2-CD1 4.45Å; F22-L55 HydrophobicContact CE1-CB 4.44Å; F22-L55 HydrophobicContact CE1-CD1 3.28Å; F22-L55 HydrophobicContact CE1-CG 4.47Å; F22-L55 HydrophobicContact CG-CD1 3.81Å; F22-L55 HydrophobicContact CZ-CD1 3.98Å; Y25-L55 HydrophobicContact CD2-CD1 3.75Å; Y25-L55 HydrophobicContact CD2-CD2 4.27Å; Y25-L55 HydrophobicContact CD2-CG 4.19Å; Y25-L55 HydrophobicContact CE2-CD1 3.89Å; Y25-L55 HydrophobicContact CE2-CD2 3.54Å; Y25-L55 HydrophobicContact CE2-CG 3.85Å; Y25-L55 HydrophobicContact CG-CD1 4.35Å; A51-L55 HydrophobicContact CB-CD1 4.14Å; A51-L55 WeakPolarHBondContact O-CB 3.48Å; A51-L55 WeakPolarHBondContact O-CG 3.48Å; A51-L55 PolarHBondContact O-N 3.25Å; L55-G57 PolarHBondContact O-N 3Å; L55-G57 VanDerWaalsContact O-N 3.17Å; L55-K58 HydrophobicContact CD2-CD 3.82Å; L55-K58 PolarHBondContact O-N 3.37Å; L55-V67 HydrophobicContact CB-CG2 4.03Å; L55-V67 WeakPolarHBondContact O-CG2 3.25Å
56N87.5Confident85.6Confident83 Ų8366.4 Ų66.444%0.44433%0.331SS..THydrogen-bonded Turntrans-65.3114.9178-172.918.2000111.5V52 I66 V67V52-N56 WeakPolarHBondContact O-CB 3.45Å; N56-I66 WeakPolarHBondContact OD1-CA 3.3Å; N56-V67 HydrophobicContact CB-CB 3.98Å; N56-V67 WeakPolarHBondContact CB-O 3.07Å; N56-V67 VanDerWaalsContact CG-O 3.25Å; N56-V67 PolarHBondContact ND2-O 2.93Å; N56-V67 PolarHBondContact OD1-N 3.2Å
57G82.5Confident85.7Confident16 Ų1658 Ų5817%0.16530%0.299CS..THydrogen-bonded Turntrans84.47.5-179.300000115.3L55 R64 V65L55-G57 PolarHBondContact O-N 3Å; L55-G57 VanDerWaalsContact O-N 3.17Å; G57-R64 VanDerWaalsContact O-CZ 3.26Å; G57-R64 PolarHBondContact O-NE 3.13Å; G57-R64 PolarHBondContact O-NH2 3.19Å; G57-V65 WeakPolarHBondContact CA-O 3.32Å; G57-V65 PolarHBondContact N-O 3.5Å
58K85.2Confident85.7Confident79 Ų7961 Ų6134%0.34331%0.311SS..  trans-72.3158.2162.4-77.4-179.8179.9143.40110.1F21 Y25 E54 L55 V65F21-K58 HydrophobicContact CE2-CB 3.86Å; F21-K58 HydrophobicContact CZ-CB 3.88Å; Y25-K58 PolarHBondContact OH-NZ 3.44Å; E54-K58 WeakPolarHBondContact O-CD 3.43Å; E54-K58 WeakPolarHBondContact O-CE 3.3Å; E54-K58 PolarHBondContact O-NZ 2.9Å; E54-K58 IonicContact OE2-NZ 3.92Å; E54-K58 PolarHBondContact OE2-NZ 2.88Å; L55-K58 HydrophobicContact CD2-CD 3.82Å; L55-K58 PolarHBondContact O-N 3.37Å; K58-V65 VanDerWaalsContact O-CG2 3.31Å; K58-V65 WeakPolarHBondContact O-CG2 3.44Å; K58-V65 PolarHBondContact O-N 3.24Å; K58-V65 VanDerWaalsContact O-N 3.1Å
59D83.4Confident85.6Confident104 Ų10465.2 Ų65.256%0.55633%0.331SS*.EExtended strand (participates in β ladder)trans-85.4129.9178.2-64.2-88.1000111.5R64D59-R64 WeakPolarHBondContact OD1-CG 3.24Å
60L78.9Confident85.3Confident7 Ų763 Ų634%0.03732%0.321CS..EExtended strand (participates in β ladder)trans-129.7116.4176.4-159.6169.5000108.2L9 A13 D17 V18 F21 G62 E63 V65L9-L60 HydrophobicContact CD2-CD1 3.88Å; L9-L60 HydrophobicContact CD2-CD2 4.1Å; A13-L60 HydrophobicContact CB-CD2 3.79Å; D17-L60 HydrophobicContact CB-CD2 4.24Å; V18-L60 HydrophobicContact CG2-CD1 4.33Å; F21-L60 HydrophobicContact CB-CD1 3.88Å; F21-L60 HydrophobicContact CB-CG 4.42Å; F21-L60 HydrophobicContact CD1-CD1 3.63Å; F21-L60 HydrophobicContact CD2-CB 4.25Å; F21-L60 HydrophobicContact CD2-CD1 3.8Å; F21-L60 HydrophobicContact CD2-CG 3.92Å; F21-L60 HydrophobicContact CE1-CD1 3.93Å; F21-L60 HydrophobicContact CE2-CB 4.05Å; F21-L60 HydrophobicContact CE2-CD1 4.12Å; F21-L60 HydrophobicContact CE2-CG 4.23Å; F21-L60 HydrophobicContact CG-CD1 3.53Å; F21-L60 HydrophobicContact CG-CG 4.12Å; F21-L60 HydrophobicContact CZ-CB 4.43Å; F21-L60 HydrophobicContact CZ-CD1 4.17Å; L60-G62 PolarHBondContact O-N 3.05Å; L60-E63 PolarHBondContact N-O 2.75Å; L60-E63 PolarHBondContact O-N 2.61Å; L60-V65 HydrophobicContact CB-CG1 3.72Å; L60-V65 HydrophobicContact CB-CG2 4.05Å; L60-V65 HydrophobicContact CD1-CG1 4.25Å; L60-V65 HydrophobicContact CD1-CG2 4.5Å
61C75.9Confident84.2Confident45 Ų4568.3 Ų68.330%0.30433%0.334SS..THydrogen-bonded Turntrans53.135.7-174-65.40000114.3Q12 A13Q12-C61 HydrophobicContact CG-CB 3.78Å; Q12-C61 PolarHBondContact NE2-O 2.86Å; A13-C61 HydrophobicContact CB-CB 4.4Å
62G79.4Confident82.5Confident70 Ų7070.7 Ų70.772%0.72236%0.359SS*.THydrogen-bonded Turntrans85.93176.100000115.7L60L60-G62 PolarHBondContact O-N 3.05Å
63E80.6Confident80.6Confident76 Ų7674.8 Ų74.836%0.35539%0.386SS..EExtended strand (participates in β ladder)trans-121.7141.7173-70.7177.5-126.200111S10 L60 V65S10-E63 WeakPolarHBondContact CA-OE1 3.44Å; S10-E63 WeakPolarHBondContact CB-OE1 3.39Å; S10-E63 PolarHBondContact OG-OE1 3.23Å; L60-E63 PolarHBondContact N-O 2.75Å; L60-E63 PolarHBondContact O-N 2.61Å; E63-V65 PolarHBondContact O-N 3.3Å
64R86.5Confident78.8Confident156 Ų15677.5 Ų77.559%0.58940%0.395SS*.EExtended strand (participates in β ladder)trans-74.6104.3176.8-67.8-17069.7-142-2.1110.8G57 D59G57-R64 VanDerWaalsContact O-CZ 3.26Å; G57-R64 PolarHBondContact O-NE 3.13Å; G57-R64 PolarHBondContact O-NH2 3.19Å; D59-R64 WeakPolarHBondContact OD1-CG 3.24Å
65V89.7Confident76.9Confident0 Ų083.4 Ų83.40%041%0.412CS..  trans-71.8146.6177.4-72.30000111.5I6 G7 R8 L9 F21 G57 K58 L60 E63 V67I6-V65 HydrophobicContact CG2-CB 3.84Å; I6-V65 HydrophobicContact CG2-CG1 3.92Å; I6-V65 HydrophobicContact CG2-CG2 4.49Å; G7-V65 CarbonylContact O-C 3.24Å; G7-V65 WeakPolarHBondContact O-CA 3.22Å; R8-V65 WeakPolarHBondContact O-CG1 2.79Å; L9-V65 HydrophobicContact CD2-CG1 3.84Å; L9-V65 HydrophobicContact CG-CG1 4Å; F21-V65 HydrophobicContact CE1-CG2 3.89Å; F21-V65 HydrophobicContact CE2-CG2 4.34Å; F21-V65 HydrophobicContact CZ-CG2 3.46Å; F21-V65 VanDerWaalsContact CZ-CG2 3.46Å; G57-V65 WeakPolarHBondContact CA-O 3.32Å; G57-V65 PolarHBondContact N-O 3.5Å; K58-V65 VanDerWaalsContact O-CG2 3.31Å; K58-V65 WeakPolarHBondContact O-CG2 3.44Å; K58-V65 PolarHBondContact O-N 3.24Å; K58-V65 VanDerWaalsContact O-N 3.1Å; L60-V65 HydrophobicContact CB-CG1 3.72Å; L60-V65 HydrophobicContact CB-CG2 4.05Å; L60-V65 HydrophobicContact CD1-CG1 4.25Å; L60-V65 HydrophobicContact CD1-CG2 4.5Å; E63-V65 PolarHBondContact O-N 3.3Å; V65-V67 HydrophobicContact CG2-CG2 4.23Å
66I88.9Confident75Confident57 Ų5790.8 Ų90.829%0.29245%0.452SS..EExtended strand (participates in β ladder)trans-102.4121.8171.6-63.6174000107I6 G7 R8 N56 E68I6-I66 CarbonylContact C-O 3.56Å; I6-I66 WeakPolarHBondContact CA-O 3.46Å; G7-I66 PolarHBondContact N-O 2.95Å; G7-I66 PolarHBondContact O-N 2.86Å; R8-I66 HydrophobicContact CG-CD1 4.1Å; R8-I66 HydrophobicContact CG-CG1 4.43Å; N56-I66 WeakPolarHBondContact OD1-CA 3.3Å; I66-E68 HydrophobicContact CG2-CG 4.18Å
67V90.6Very high73.4Confident0 Ų090 Ų900%046%0.464CS..EExtended strand (participates in β ladder)trans-112.4121.1-179.7-1700000108.3V4 Y5 I6 F21 F22 V52 L55 N56 V65V4-V67 HydrophobicContact CG1-CG1 3.34Å; Y5-V67 WeakPolarHBondContact O-CA 3.45Å; I6-V67 HydrophobicContact CG2-CG2 4.48Å; F21-V67 HydrophobicContact CE1-CG2 4.49Å; F22-V67 HydrophobicContact CE1-CG1 4.05Å; F22-V67 HydrophobicContact CZ-CG1 3.96Å; F22-V67 HydrophobicContact CZ-CG2 4.25Å; V52-V67 HydrophobicContact CB-CG1 4.49Å; V52-V67 HydrophobicContact CG2-CG1 3.97Å; L55-V67 HydrophobicContact CB-CG2 4.03Å; L55-V67 WeakPolarHBondContact O-CG2 3.25Å; N56-V67 HydrophobicContact CB-CB 3.98Å; N56-V67 WeakPolarHBondContact CB-O 3.07Å; N56-V67 VanDerWaalsContact CG-O 3.25Å; N56-V67 PolarHBondContact ND2-O 2.93Å; N56-V67 PolarHBondContact OD1-N 3.2Å; V65-V67 HydrophobicContact CG2-CG2 4.23Å
68E88.5Confident71.5Confident102 Ų10295.4 Ų95.448%0.47750%0.499SS..EExtended strand (participates in β ladder)trans-136.2160.4179.6-70.9-165.2132.700110.6V4 Y5 I66 A70V4-E68 CarbonylContact C-O 3.49Å; Y5-E68 HydrophobicContact CD1-CB 4.43Å; Y5-E68 PolarHBondContact N-O 2.89Å; Y5-E68 PolarHBondContact O-N 3.12Å; I66-E68 HydrophobicContact CG2-CG 4.18Å; E68-A70 PolarHBondContact O-N 2.83Å
69H86.3Confident69.7Low91 Ų91103.3 Ų103.342%0.42153%0.528SS..EExtended strand (participates in β ladder)trans-64.4120.4165.6-58.6-80.7000110.5D49 R71D49-H69 IonicContact OD1-CE1 2.68Å; D49-H69 PolarHBondContact OD1-CE1 3.41Å; D49-H69 IonicContact OD1-ND1 3.18Å; D49-H69 IonicContact OD1-NE2 3.66Å; H69-R71 PolarHBondContact O-N 2.73Å; H69-R71 VanDerWaalsContact O-N 3.09Å
70A80.4Confident67.8Low16 Ų16101.7 Ų101.713%0.13254%0.536CS..  trans-65.6114.1175.800000109R3 F39 E68 G72R3-A70 HydrophobicContact CB-CB 3.98Å; R3-A70 HydrophobicContact CG-CB 3.99Å; R3-A70 WeakPolarHBondContact O-CA 3.38Å; R3-A70 VanDerWaalsContact O-CB 3.24Å; R3-A70 WeakPolarHBondContact O-CB 3.35Å; R3-A70 PolarHBondContact O-N 3.36Å; F39-A70 HydrophobicContact CD1-CB 3.76Å; F39-A70 HydrophobicContact CE1-CB 4.08Å; E68-A70 PolarHBondContact O-N 2.83Å; A70-G72 PolarHBondContact O-N 2.83Å
71R66.6Low66.4Low209 Ų209107.2 Ų107.279%0.78958%0.575SS**  trans-63.3105.1171.8-61.2-174.5-170.7-171.86.9107.5H69H69-R71 PolarHBondContact O-N 2.73Å; H69-R71 VanDerWaalsContact O-N 3.09Å
72G52.3Low64.7Low51 Ų51108.9 Ų108.953%0.52660%0.6SS.*  trans-53.2151.2-163.100000114A70 R74A70-G72 PolarHBondContact O-N 2.83Å; G72-R74 PolarHBondContact O-N 2.88Å
73P49Very low63Low103 Ų103116.8 Ų116.867%0.66961%0.608SS**  trans-55.6130.1179.124.7-33.9000109.7R75P73-R75 PolarHBondContact O-N 2.82Å
74R50.3Low61.4Low255 Ų255118.7 Ų118.796%0.96263%0.63SS**  trans-66.885.4172.4-72.3-170.5178-153.10.6109.2G72 D76G72-R74 PolarHBondContact O-N 2.88Å; R74-D76 PolarHBondContact O-N 3.22Å
75R46.8Very low59.1Low227 Ų227114.8 Ų114.886%0.85764%0.638SS**  trans-62129.2165.7-102.7-175.8172.7164.90.4108.4P73P73-R75 PolarHBondContact O-N 2.82Å
76D46.6Very low57.1Low160 Ų160126.6 Ų126.686%0.85668%0.684SS**  trans-65.5154.6173.4-170-106000111R74R74-D76 PolarHBondContact O-N 3.22Å
77G52.4Low54.7Low67 Ų67127.7 Ų127.769%0.69171%0.709SS**  trans41.291.316000000119.2
78S43Very low52.3Low128 Ų128136.4 Ų136.490%0.89574%0.744SS**  trans-137.8145.5147.9-165.90000111.8G80S78-G80 PolarHBondContact O-N 2.9Å
79Y47.7Very low50.1Low245 Ų245139.8 Ų139.896%0.96175%0.752SS**  trans-90.486.2-157.8-168.8-99000111.8
80G43Very low48.3Very low70 Ų70145.6 Ų145.672%0.72277%0.77SS**  trans-121.3105-174.700000114.4S78 G82S78-G80 PolarHBondContact O-N 2.9Å; G80-G82 PolarHBondContact O-N 2.98Å
81S50.1Low46.9Very low124 Ų124149.5 Ų149.587%0.86780%0.797SS**  trans-15.7107.9173.3-167.80000117.8
82G40.1Very low45.9Very low79 Ų79143.3 Ų143.381%0.81480%0.798SS**  trans-130.450.9176.600000113.2G80 S84G80-G82 PolarHBondContact O-N 2.98Å; G82-S84 PolarHBondContact O-N 2.81Å
83R43.4Very low45.7Very low236 Ų236151 Ų15189%0.89181%0.811SS**  trans-73.7106.6-173.2-172.9-175.6-172.4-158.43112.1
84S47.4Very low45.6Very low116 Ų116151.5 Ų151.581%0.81181%0.808SS**  trans31.4100.9157.1-174.80000117.4G82G82-S84 PolarHBondContact O-N 2.81Å
85G38.9Very low45.5Very low74 Ų74149 Ų14976%0.76380%0.804SS**  trans-141.9109.6170.300000112.9G87G85-G87 PolarHBondContact O-N 3.25Å
86Y46.4Very low45.5Very low249 Ų249147.3 Ų147.398%0.97680%0.799SS**  trans-66119.7160.3-98.3-113.9000107.9
87G39.9Very low45.7Very low79 Ų79141.8 Ų141.881%0.81478%0.779SS**  trans-148.3103.9-176.600000111.6G85G85-G87 PolarHBondContact O-N 3.25Å
88Y38.3Very low45.7Very low184 Ų184144.3 Ų144.372%0.72278%0.784SS**  trans-103.9144.8-176.3-170.6-127.1000110.2
89R43.6Very low46.3Very low172 Ų172141.4 Ų141.465%0.64976%0.762SS**  trans74148.7-177.6-49.1-51.9-166.5-167.7-1.1114.3
90R48.2Very low46.7Very low214 Ų214134.1 Ų134.181%0.80874%0.743SS**  cis-145.1125.8-1.6-118.8155.5-164.3-90.48.4106.8
91S50.2Low47.5Very low98 Ų98141.3 Ų141.369%0.68575%0.749SS**  83.7100.385-179.60000113.6D94S91-D94 WeakPolarHBondContact CA-OD2 3.22Å
92G47.3Very low48.3Very low79 Ų79136.9 Ų136.981%0.81472%0.716SS**SBendtrans-169.1-26.5166.600000115.4D94G92-D94 PolarHBondContact N-OD2 3.47Å
93R47.8Very low49.8Very low211 Ų211140.3 Ų140.380%0.79671%0.711SS**SBendtrans-132.218-177.1-153.4173-177.8150.26.9113.4
94D47.2Very low51.7Low114 Ų114133.3 Ų133.361%0.6169%0.685SS**THydrogen-bonded Turntrans-101.52.1-163.4-43.9-88.9000113.2S91 G92 Y96 G97S91-D94 WeakPolarHBondContact CA-OD2 3.22Å; G92-D94 PolarHBondContact N-OD2 3.47Å; D94-Y96 PolarHBondContact O-N 2.62Å; D94-G97 PolarHBondContact O-N 3.44Å
95K46.5Very low53.5Low204 Ų204131.8 Ų131.889%0.88766%0.662SS**THydrogen-bonded Turntrans-67-18.7173.6-157179.4-177.5-173.60112.5
96Y47.5Very low55.9Low191 Ų191128.2 Ų128.275%0.74963%0.625SS**SBendtrans-119.393.4156.1-74.5-76.6000108.2D94D94-Y96 PolarHBondContact O-N 2.62Å
97G51Low57.9Low43 Ų43117.6 Ų117.644%0.44359%0.585SS.*  trans-62.8175.3164.600000111.5D94D94-G97 PolarHBondContact O-N 3.44Å
98P52.3Low60.2Low121 Ų121113.9 Ų113.979%0.78655%0.546SS*.SBendtrans-53.1129.5166.325.6-33.6000108.2T100P98-T100 PolarHBondContact O-N 2.99Å; P98-T100 VanDerWaalsContact O-N 3.1Å
99P54.9Low62.5Low67 Ų67107.8 Ų107.844%0.43553%0.525SS..  trans-54.2122.8-167.818.7-31.6000110R101 T131 Y132P99-R101 PolarHBondContact O-N 3.05Å; P99-T131 HydrophobicContact CB-CG2 3.84Å; P99-Y132 HydrophobicContact CG-CD2 4.3Å
100T56Low64.4Low92 Ų92103.5 Ų103.556%0.56452%0.515SS*.  trans-61.8100.3-178.643.70000108.4P98 T102 T131P98-T100 PolarHBondContact O-N 2.99Å; P98-T100 VanDerWaalsContact O-N 3.1Å; T100-T102 VanDerWaalsContact C-N 3.31Å; T100-T102 PolarHBondContact O-N 3.29Å; T100-T131 WeakPolarHBondContact OG1-CG2 3.43Å
101R59.8Low66.1Low221 Ų22193.3 Ų93.383%0.83448%0.476SS*.  trans-65.590.5-174.4-89-176.5158.6171.2-2.6111.2P99 E146P99-R101 PolarHBondContact O-N 3.05Å; R101-E146 WeakPolarHBondContact CA-OE1 3.3Å
102T67.3Low67.4Low30 Ų3089.2 Ų89.218%0.18445%0.447CS..  trans-84.6149179.9400000109.7T100 Y104 E146 F147T100-T102 VanDerWaalsContact C-N 3.31Å; T100-T102 PolarHBondContact O-N 3.29Å; T102-Y104 HydrophobicContact CG2-CD2 4.39Å; T102-Y104 PolarHBondContact O-N 3.38Å; T102-E146 PolarHBondContact N-OE1 3.26Å; T102-E146 WeakPolarHBondContact O-CG 3.4Å; T102-F147 VanDerWaalsContact CB-O 3.24Å; T102-F147 WeakPolarHBondContact CB-O 3.28Å; T102-F147 PolarHBondContact OG1-O 2.99Å
103E71.3Confident68.8Low151 Ų15188.9 Ų88.971%0.70643%0.433SS*.SBendtrans-77.9-4.2-179.4-57.1-165.4152.600112.4R105 P177E103-R105 VanDerWaalsContact C-N 3.32Å; E103-R105 PolarHBondContact O-N 3.26Å; E103-P177 HydrophobicContact CB-CG 4.23Å
104Y82.9Confident70.1Confident89 Ų8989.1 Ų89.135%0.34943%0.433SS..  trans-85.868.1-175.6-46.9-45.2000111.5T102 F147 S149 Y150 M153T102-Y104 HydrophobicContact CG2-CD2 4.39Å; T102-Y104 PolarHBondContact O-N 3.38Å; Y104-F147 PolarHBondContact O-N 3.49Å; Y104-S149 VanDerWaalsContact CD2-C 3.46Å; Y104-Y150 AromaticContact CD1-CD2 3.86Å; Y104-Y150 HydrophobicContact CD1-CD2 3.86Å; Y104-Y150 HydrophobicContact CD1-CG 4.36Å; Y104-Y150 VanDerWaalsContact CD2-N 3.34Å; Y104-Y150 HydrophobicContact CE1-CD2 4.04Å; Y104-Y150 HydrophobicContact CE1-CG 4.3Å; Y104-M153 WeakPolarHBondContact CA-SD 3.41Å
105R86.9Confident71.6Confident84 Ų8483.8 Ų83.832%0.31741%0.405SS..EExtended strand (participates in β ladder)trans-105.2126.9-173.5-163.9171.9109.2131.27.8112.4E103 V144 I145 E146 D175E103-R105 VanDerWaalsContact C-N 3.32Å; E103-R105 PolarHBondContact O-N 3.26Å; R105-V144 HydrophobicContact CG-CG1 3.87Å; R105-I145 CarbonylContact C-O 3.58Å; R105-I145 VanDerWaalsContact CA-O 3.3Å; R105-I145 WeakPolarHBondContact CA-O 3.22Å; R105-I145 WeakPolarHBondContact CG-O 3.35Å; R105-E146 HydrophobicContact CB-CG 4.38Å; R105-E146 HydrophobicContact CG-CG 4.42Å; R105-D175 IonicContact CZ-OD2 3.85Å; R105-D175 IonicContact NE-OD2 2.67Å; R105-D175 PolarHBondContact NE-OD2 3.26Å; R105-D175 IonicContact NH2-OD2 3.68Å; R105-D175 PolarHBondContact NH2-OD2 2.92Å; R105-D175 PolarHBondContact O-N 3.03Å
106L87.8Confident73.4Confident0 Ų075.9 Ų75.90%038%0.376CS..EExtended strand (participates in β ladder)trans-102.6140.1166.9-59.4-173000110.5M124 V144 I145 F147 M153 A156 L157 L172 V173 E174L106-M124 HydrophobicContact CD1-CE 3.83Å; L106-V144 WeakPolarHBondContact O-CA 3.41Å; L106-I145 PolarHBondContact N-O 2.96Å; L106-I145 PolarHBondContact O-N 2.83Å; L106-F147 HydrophobicContact CD1-CE2 3.89Å; L106-F147 HydrophobicContact CG-CE2 4.23Å; L106-M153 HydrophobicContact CD1-CG 4.2Å; L106-M153 HydrophobicContact CD2-CG 3.53Å; L106-M153 HydrophobicContact CD2-SD 3.95Å; L106-M153 HydrophobicContact CG-CG 3.69Å; L106-A156 HydrophobicContact CD1-CB 4.02Å; L106-L157 HydrophobicContact CD2-CD1 4.27Å; L106-L172 HydrophobicContact CD1-CB 4.37Å; L106-L172 HydrophobicContact CD1-CD1 4.19Å; L106-L172 HydrophobicContact CD1-CD2 4.37Å; L106-V173 WeakPolarHBondContact CA-O 3.12Å; L106-E174 HydrophobicContact CD2-CB 4.24Å
107I88.6Confident75.3Confident26 Ų2673 Ų7313%0.13336%0.364CS..EExtended strand (participates in β ladder)trans-89.7138.7156.9-71.6160.7000107.2E109 G143 V144 V173 D175I107-E109 HydrophobicContact CG2-CG 4.12Å; I107-G143 WeakPolarHBondContact CA-O 3.25Å; I107-V144 HydrophobicContact CG1-CG2 4.49Å; I107-V173 HydrophobicContact CB-CB 4.47Å; I107-V173 PolarHBondContact N-O 2.76Å; I107-V173 PolarHBondContact O-N 3.16Å; I107-D175 HydrophobicContact CD1-CB 3.73Å; I107-D175 VanDerWaalsContact CD1-CG 3.46Å; I107-D175 HydrophobicContact CG1-CB 3.9Å
108V87.8Confident77Confident0 Ų076 Ų760%037%0.366CS..EExtended strand (participates in β ladder)trans-109.5112.8171.4-168.10000108.9L111 L120 E142 G143 I145 I170 R171 L172V108-L111 HydrophobicContact CB-CD1 4.09Å; V108-L111 HydrophobicContact CB-CG 4.22Å; V108-L111 HydrophobicContact CG1-CD1 4.18Å; V108-L111 HydrophobicContact CG1-CD2 3.91Å; V108-L111 HydrophobicContact CG1-CG 3.77Å; V108-L120 HydrophobicContact CG1-CD1 4.42Å; V108-L120 HydrophobicContact CG2-CD1 4.22Å; V108-E142 CarbonylContact O-C 3.52Å; V108-E142 VanDerWaalsContact O-CA 3.31Å; V108-E142 WeakPolarHBondContact O-CA 3.38Å; V108-G143 PolarHBondContact N-O 3.23Å; V108-G143 PolarHBondContact O-N 3.41Å; V108-I145 HydrophobicContact CG2-CD1 3.5Å; V108-I145 HydrophobicContact CG2-CG1 3.94Å; V108-I170 HydrophobicContact CG1-CB 3.73Å; V108-I170 HydrophobicContact CG1-CD1 4.12Å; V108-I170 HydrophobicContact CG1-CG1 4.43Å; V108-I170 HydrophobicContact CG1-CG2 4.18Å; V108-R171 CarbonylContact C-O 3.54Å; V108-R171 WeakPolarHBondContact CA-O 3.19Å; V108-L172 HydrophobicContact CB-CD2 4.22Å; V108-L172 HydrophobicContact CG1-CD2 3.96Å; V108-L172 HydrophobicContact CG2-CD2 3.56Å
109E87.4Confident78.7Confident57 Ų5773.4 Ų73.427%0.26635%0.345SS..EExtended strand (participates in β ladder)trans-89.9159.6173.7-56.3-177.3153.200110.3I107 L111 R171 V173I107-E109 HydrophobicContact CG2-CG 4.12Å; E109-L111 VanDerWaalsContact C-N 3.28Å; E109-L111 PolarHBondContact O-N 2.98Å; E109-R171 HydrophobicContact CB-CB 4.23Å; E109-R171 PolarHBondContact N-O 3.48Å; E109-R171 PolarHBondContact O-N 2.88Å; E109-R171 IonicContact OE2-CZ 3.59Å; E109-R171 IonicContact OE2-NE 2.73Å; E109-R171 IonicContact OE2-NH1 3.71Å; E109-R171 PolarHBondContact OE2-NH1 3.2Å; E109-V173 HydrophobicContact CG-CG2 4.22Å
110N83.8Confident80.2Confident82 Ų8270.2 Ų70.244%0.43933%0.325SS..SBendtrans57.127.6178-162.346000116.6N141 K169N110-N141 PolarHBondContact N-O 3.14Å; N110-K169 PolarHBondContact ND2-O 2.81Å
111L82.9Confident81.7Confident0 Ų067.8 Ų67.80%031%0.306CS..  trans-56145.7171.4-79.5168.1000111.7V108 E109 S113 C115 L120 N141 R168 I170V108-L111 HydrophobicContact CB-CD1 4.09Å; V108-L111 HydrophobicContact CB-CG 4.22Å; V108-L111 HydrophobicContact CG1-CD1 4.18Å; V108-L111 HydrophobicContact CG1-CD2 3.91Å; V108-L111 HydrophobicContact CG1-CG 3.77Å; E109-L111 VanDerWaalsContact C-N 3.28Å; E109-L111 PolarHBondContact O-N 2.98Å; L111-S113 PolarHBondContact O-N 2.87Å; L111-C115 HydrophobicContact CB-CB 4.47Å; L111-C115 HydrophobicContact CD2-CB 3.93Å; L111-L120 HydrophobicContact CD1-CD1 4.29Å; L111-L120 HydrophobicContact CD1-CD2 3.79Å; L111-L120 HydrophobicContact CD2-CD1 3.67Å; L111-N141 PolarHBondContact N-O 2.64Å; L111-N141 WeakPolarHBondContact O-CA 3.33Å; L111-N141 WeakPolarHBondContact O-CB 3.41Å; L111-N141 PolarHBondContact O-OD1 2.9Å; L111-R168 PolarHBondContact O-NH1 2.89Å; L111-I170 HydrophobicContact CD2-CG2 3.65Å; L111-I170 HydrophobicContact CG-CG2 4.45Å
112S78.6Confident83.1Confident11 Ų1161.5 Ų61.58%0.07729%0.289CS..  trans-59.7138.7163.9-163.40000109R114 C115 N166S112-R114 PolarHBondContact O-N 2.82Å; S112-C115 VanDerWaalsContact CB-SG 3.54Å; S112-C115 WeakPolarHBondContact O-CB 3.06Å; S112-C115 PolarHBondContact O-N 2.67Å; S112-N166 WeakPolarHBondContact CB-O 2.96Å; S112-N166 PolarHBondContact OG-O 2.92Å
113S76.9Confident84Confident73 Ų7362.7 Ų62.751%0.5129%0.291SS..THydrogen-bonded Turntrans-70.75.9175.556.20000113.3L111L111-S113 PolarHBondContact O-N 2.87Å
114R74.3Confident84.6Confident215 Ų21555.5 Ų55.581%0.81126%0.257SS*.THydrogen-bonded Turntrans-108.3-7.2169.7-58.5-174.771.7156.71.4112.8S112 S116S112-R114 PolarHBondContact O-N 2.82Å; R114-S116 PolarHBondContact O-N 3.21Å
115C78.3Confident84.8Confident2 Ų258.8 Ų58.81%0.01427%0.269CS..  trans-71.3111.1172.5-66.50000109.8L111 S112 N166L111-C115 HydrophobicContact CB-CB 4.47Å; L111-C115 HydrophobicContact CD2-CB 3.93Å; S112-C115 VanDerWaalsContact CB-SG 3.54Å; S112-C115 WeakPolarHBondContact O-CB 3.06Å; S112-C115 PolarHBondContact O-N 2.67Å; C115-N166 PolarHBondContact SG-ND2 3.18Å
116S84.8Confident84.7Confident39 Ų3961.4 Ų61.427%0.27329%0.285SS..  trans-73.5169.8165.175.60000111R114 Q118 D119 L120R114-S116 PolarHBondContact O-N 3.21Å; S116-Q118 PolarHBondContact O-N 2.85Å; S116-Q118 WeakPolarHBondContact OG-CB 3.4Å; S116-Q118 PolarHBondContact OG-N 3.19Å; S116-Q118 VanDerWaalsContact OG-N 3.13Å; S116-D119 WeakPolarHBondContact CA-OD2 3.5Å; S116-D119 VanDerWaalsContact CB-OD2 3.27Å; S116-D119 WeakPolarHBondContact CB-OD2 3.2Å; S116-D119 PolarHBondContact N-OD2 2.79Å; S116-D119 VanDerWaalsContact OG-CG 3.24Å; S116-D119 PolarHBondContact OG-N 3.37Å; S116-D119 PolarHBondContact OG-OD2 2.9Å; S116-L120 VanDerWaalsContact O-CB 3.28Å; S116-L120 WeakPolarHBondContact O-CB 3.22Å; S116-L120 PolarHBondContact O-N 3.36Å
117W87.3Confident84.4Confident131 Ų13161.7 Ų61.750%0.49629%0.287SS..Hα-helixtrans-67.1-16.2170.463.5-94000112.7K121 A135W117-K121 VanDerWaalsContact O-CB 3.25Å; W117-K121 WeakPolarHBondContact O-CB 3.31Å; W117-K121 PolarHBondContact O-N 3.02Å; W117-K121 VanDerWaalsContact O-N 3.12Å; W117-A135 HydrophobicContact CB-CB 4.13Å
118Q87.3Confident84.2Confident104 Ų10461.2 Ų61.249%0.48629%0.289SS..Hα-helixtrans-77.7-55.3177.5-62.2179-21.500109.7S116 L120 K121 D122S116-Q118 PolarHBondContact O-N 2.85Å; S116-Q118 WeakPolarHBondContact OG-CB 3.4Å; S116-Q118 PolarHBondContact OG-N 3.19Å; S116-Q118 VanDerWaalsContact OG-N 3.13Å; Q118-L120 PolarHBondContact O-N 3.48Å; Q118-K121 WeakPolarHBondContact O-CA 3.14Å; Q118-K121 WeakPolarHBondContact O-CB 3.44Å; Q118-K121 PolarHBondContact O-N 3.3Å; Q118-D122 PolarHBondContact O-N 2.59Å
119D87.9Confident84.2Confident67 Ų6767 Ų6736%0.35832%0.316SS..Hα-helixtrans-53.2-43.1174.8-42-61.2000110.6S116 K121 D122 Y123S116-D119 WeakPolarHBondContact CA-OD2 3.5Å; S116-D119 VanDerWaalsContact CB-OD2 3.27Å; S116-D119 WeakPolarHBondContact CB-OD2 3.2Å; S116-D119 PolarHBondContact N-OD2 2.79Å; S116-D119 VanDerWaalsContact OG-CG 3.24Å; S116-D119 PolarHBondContact OG-N 3.37Å; S116-D119 PolarHBondContact OG-OD2 2.9Å; D119-K121 PolarHBondContact O-N 3.1Å; D119-D122 PolarHBondContact O-N 2.58Å; D119-Y123 WeakPolarHBondContact O-CB 3.37Å; D119-Y123 PolarHBondContact O-N 2.91Å
120L86.6Confident84.2Confident0 Ų064.5 Ų64.50%031%0.305CS..Hα-helixtrans-65-36178.4-171.659.1000113.2V108 L111 S116 Q118 M124 I145V108-L120 HydrophobicContact CG1-CD1 4.42Å; V108-L120 HydrophobicContact CG2-CD1 4.22Å; L111-L120 HydrophobicContact CD1-CD1 4.29Å; L111-L120 HydrophobicContact CD1-CD2 3.79Å; L111-L120 HydrophobicContact CD2-CD1 3.67Å; S116-L120 VanDerWaalsContact O-CB 3.28Å; S116-L120 WeakPolarHBondContact O-CB 3.22Å; S116-L120 PolarHBondContact O-N 3.36Å; Q118-L120 PolarHBondContact O-N 3.48Å; L120-M124 WeakPolarHBondContact O-CB 3.06Å; L120-M124 WeakPolarHBondContact O-CG 3.41Å; L120-M124 PolarHBondContact O-N 2.61Å; L120-I145 HydrophobicContact CD1-CD1 3.63Å; L120-I145 HydrophobicContact CD2-CD1 3.89Å; L120-I145 HydrophobicContact CD2-CG1 3.98Å; L120-I145 HydrophobicContact CG-CD1 3.46Å; L120-I145 VanDerWaalsContact CG-CD1 3.46Å; L120-I145 HydrophobicContact CG-CG1 4.04Å
121K87.5Confident84.2Confident41 Ų4161.9 Ų61.918%0.17829%0.292CS..Hα-helixtrans-74.3-43.9176.6-178.1160.4-176.5158.80111.6W117 Q118 D119 M124 R125 V130 T131 A133W117-K121 VanDerWaalsContact O-CB 3.25Å; W117-K121 WeakPolarHBondContact O-CB 3.31Å; W117-K121 PolarHBondContact O-N 3.02Å; W117-K121 VanDerWaalsContact O-N 3.12Å; Q118-K121 WeakPolarHBondContact O-CA 3.14Å; Q118-K121 WeakPolarHBondContact O-CB 3.44Å; Q118-K121 PolarHBondContact O-N 3.3Å; D119-K121 PolarHBondContact O-N 3.1Å; K121-M124 PolarHBondContact O-N 3.1Å; K121-R125 WeakPolarHBondContact O-CG 3.48Å; K121-R125 PolarHBondContact O-N 2.87Å; K121-V130 HydrophobicContact CD-CB 4.45Å; K121-V130 HydrophobicContact CD-CG1 4.13Å; K121-V130 WeakPolarHBondContact CE-O 3.01Å; K121-V130 HydrophobicContact CG-CB 4.06Å; K121-V130 HydrophobicContact CG-CG1 3.95Å; K121-V130 PolarHBondContact NZ-O 2.81Å; K121-T131 PolarHBondContact NZ-O 3.06Å; K121-A133 HydrophobicContact CB-CB 3.76Å; K121-A133 HydrophobicContact CD-CB 4.23Å; K121-A133 HydrophobicContact CG-CB 4.3Å
122D88.3Confident84.3Confident90 Ų9065.2 Ų65.248%0.48131%0.305SS..Hα-helixtrans-73.4-30.3-177.7-70.2-29.3000112.2Q118 D119 R125Q118-D122 PolarHBondContact O-N 2.59Å; D119-D122 PolarHBondContact O-N 2.58Å; D122-R125 WeakPolarHBondContact OD1-CD 3.36Å; D122-R125 IonicContact OD1-CZ 2.9Å; D122-R125 IonicContact OD1-NE 2.64Å; D122-R125 IonicContact OD1-NH1 3.21Å; D122-R125 PolarHBondContact OD1-NH1 3.09Å
123Y86Confident84.8Confident55 Ų5565.3 Ų65.322%0.21631%0.306CS..Hα-helixtrans-64.3-50.3167.1-167-106.4000111.9D119 R125 Q126 L160 T163 V165 I170D119-Y123 WeakPolarHBondContact O-CB 3.37Å; D119-Y123 PolarHBondContact O-N 2.91Å; Y123-R125 PolarHBondContact O-N 2.93Å; Y123-Q126 WeakPolarHBondContact O-CB 3.21Å; Y123-Q126 PolarHBondContact O-N 3.24Å; Y123-L160 HydrophobicContact CD1-CD1 4.47Å; Y123-L160 HydrophobicContact CE1-CB 4.06Å; Y123-L160 HydrophobicContact CE1-CD1 4.3Å; Y123-L160 HydrophobicContact CE1-CD2 3.75Å; Y123-L160 HydrophobicContact CE1-CG 4.24Å; Y123-T163 VanDerWaalsContact CE1-OG1 3.3Å; Y123-T163 WeakPolarHBondContact CE1-OG1 3.35Å; Y123-T163 WeakPolarHBondContact OH-CB 3.48Å; Y123-T163 WeakPolarHBondContact OH-CG2 3.45Å; Y123-T163 PolarHBondContact OH-OG1 3.27Å; Y123-T163 VanDerWaalsContact OH-OG1 3.06Å; Y123-V165 HydrophobicContact CD1-CG2 3.56Å; Y123-V165 HydrophobicContact CD2-CG2 4.15Å; Y123-V165 HydrophobicContact CE1-CG2 3.63Å; Y123-V165 HydrophobicContact CE2-CG2 4.24Å; Y123-V165 HydrophobicContact CG-CG2 3.85Å; Y123-I170 HydrophobicContact CD1-CD1 4.21Å; Y123-I170 HydrophobicContact CE1-CD1 4.12Å
124M85Confident85.2Confident0 Ų062.9 Ų62.90%029%0.287CS..Hα-helixtrans-68-19.2179.9-75.8-55.5-134.800114.9L106 L120 K121 Q126 A127 G128 V130 I145 F147 A156 L160 L172L106-M124 HydrophobicContact CD1-CE 3.83Å; L120-M124 WeakPolarHBondContact O-CB 3.06Å; L120-M124 WeakPolarHBondContact O-CG 3.41Å; L120-M124 PolarHBondContact O-N 2.61Å; K121-M124 PolarHBondContact O-N 3.1Å; M124-Q126 PolarHBondContact O-N 2.79Å; M124-Q126 VanDerWaalsContact O-N 3.15Å; M124-A127 PolarHBondContact O-N 3.21Å; M124-G128 PolarHBondContact O-N 3.18Å; M124-V130 HydrophobicContact CB-CG2 3.62Å; M124-I145 HydrophobicContact CB-CD1 4.41Å; M124-I145 HydrophobicContact CE-CD1 3.71Å; M124-I145 HydrophobicContact CG-CD1 3.36Å; M124-I145 HydrophobicContact CG-CG2 4.28Å; M124-I145 HydrophobicContact SD-CD1 4.38Å; M124-F147 HydrophobicContact CB-CE1 4.26Å; M124-F147 HydrophobicContact CB-CZ 3.88Å; M124-F147 HydrophobicContact CE-CE2 4.13Å; M124-F147 HydrophobicContact CE-CZ 3.98Å; M124-F147 HydrophobicContact CG-CZ 4.06Å; M124-F147 HydrophobicContact SD-CZ 4.03Å; M124-A156 HydrophobicContact CE-CB 3.91Å; M124-A156 HydrophobicContact SD-CB 3.96Å; M124-L160 HydrophobicContact SD-CB 4.11Å; M124-L160 HydrophobicContact SD-CD1 3.41Å; M124-L160 WeakPolarHBondContact SD-CD1 3.4Å; M124-L160 HydrophobicContact SD-CG 4.4Å; M124-L172 HydrophobicContact CE-CD1 3.67Å; M124-L172 HydrophobicContact CE-CD2 3.4Å; M124-L172 HydrophobicContact CE-CG 4.2Å
125R86.2Confident85.6Confident158 Ų15853.6 Ų53.660%0.59626%0.257SS*.THydrogen-bonded Turntrans-60.7-15.7169-80.8169.359.5-152.3-3.7113.3K121 D122 Y123 A127 G128K121-R125 WeakPolarHBondContact O-CG 3.48Å; K121-R125 PolarHBondContact O-N 2.87Å; D122-R125 WeakPolarHBondContact OD1-CD 3.36Å; D122-R125 IonicContact OD1-CZ 2.9Å; D122-R125 IonicContact OD1-NE 2.64Å; D122-R125 IonicContact OD1-NH1 3.21Å; D122-R125 PolarHBondContact OD1-NH1 3.09Å; Y123-R125 PolarHBondContact O-N 2.93Å; R125-A127 VanDerWaalsContact C-N 3.27Å; R125-A127 PolarHBondContact O-N 2.87Å; R125-G128 WeakPolarHBondContact CA-O 3.19Å
126Q84.6Confident85.5Confident138 Ų13856.5 Ų56.565%0.64527%0.27SS*.THydrogen-bonded Turntrans-68.3-24.2169.6-167.8174.6300112.8Y123 M124Y123-Q126 WeakPolarHBondContact O-CB 3.21Å; Y123-Q126 PolarHBondContact O-N 3.24Å; M124-Q126 PolarHBondContact O-N 2.79Å; M124-Q126 VanDerWaalsContact O-N 3.15Å
127A82.6Confident84.5Confident6 Ų661.5 Ų61.55%0.0529%0.287CS..THydrogen-bonded Turntrans-97-37.4176.800000114M124 R125 R155 A156 L160M124-A127 PolarHBondContact O-N 3.21Å; R125-A127 VanDerWaalsContact C-N 3.27Å; R125-A127 PolarHBondContact O-N 2.87Å; A127-R155 HydrophobicContact CB-CB 4.44Å; A127-R155 PolarHBondContact O-NE 2.67Å; A127-A156 HydrophobicContact CB-CB 3.62Å; A127-L160 HydrophobicContact CB-CD1 3.55Å; A127-L160 HydrophobicContact CB-CG 4.31Å
128G85.3Confident83.2Confident17 Ų1758.4 Ų58.418%0.17530%0.296CS..SBendtrans170.6-166.7177.700000114.6M124 R125 V130 D152M124-G128 PolarHBondContact O-N 3.18Å; R125-G128 WeakPolarHBondContact CA-O 3.19Å; G128-V130 PolarHBondContact O-N 2.81Å; G128-D152 WeakPolarHBondContact CA-OD2 3.3Å
129E85.9Confident82Confident121 Ų12161.2 Ų61.257%0.56530%0.302SS*.  trans-81.5119.7-171.2-168.7171-170.600112.8F147 V148 D152E129-F147 WeakPolarHBondContact O-CA 3.37Å; E129-V148 HydrophobicContact CB-CB 4.36Å; E129-V148 HydrophobicContact CB-CG2 3.93Å; E129-V148 HydrophobicContact CG-CG2 3.81Å; E129-V148 PolarHBondContact O-N 3.17Å; E129-D152 PolarHBondContact N-OD2 3.38Å
130V87.5Confident81.1Confident4 Ų466.8 Ų66.82%0.02432%0.323CS..EExtended strand (participates in β ladder)trans-94.5110.5179.5176.50000110.3K121 M124 G128 Y132 A133 I145 E146 F147K121-V130 HydrophobicContact CD-CB 4.45Å; K121-V130 HydrophobicContact CD-CG1 4.13Å; K121-V130 WeakPolarHBondContact CE-O 3.01Å; K121-V130 HydrophobicContact CG-CB 4.06Å; K121-V130 HydrophobicContact CG-CG1 3.95Å; K121-V130 PolarHBondContact NZ-O 2.81Å; M124-V130 HydrophobicContact CB-CG2 3.62Å; G128-V130 PolarHBondContact O-N 2.81Å; V130-Y132 VanDerWaalsContact CG1-O 3.32Å; V130-Y132 WeakPolarHBondContact CG1-O 3.32Å; V130-A133 HydrophobicContact CG1-CB 4.04Å; V130-I145 HydrophobicContact CB-CG2 4.48Å; V130-I145 HydrophobicContact CG1-CG2 3.66Å; V130-I145 HydrophobicContact CG2-CG2 3.99Å; V130-E146 CarbonylContact C-O 3.52Å; V130-F147 HydrophobicContact CG2-CD1 3.96Å; V130-F147 HydrophobicContact CG2-CE1 3.59Å; V130-F147 HydrophobicContact CG2-CZ 4.06Å
131T85.5Confident80.7Confident27 Ų2769.4 Ų69.417%0.16634%0.337CS..EExtended strand (participates in β ladder)trans-64.6-52.8172.8-38.90000110.7P99 T100 K121 E146 V148P99-T131 HydrophobicContact CB-CG2 3.84Å; T100-T131 WeakPolarHBondContact OG1-CG2 3.43Å; K121-T131 PolarHBondContact NZ-O 3.06Å; T131-E146 PolarHBondContact N-O 2.94Å; T131-V148 WeakPolarHBondContact OG1-CG2 3.15Å; T131-V148 PolarHBondContact OG1-N 2.84Å
132Y84.8Confident80.6Confident70 Ų7069.3 Ų69.328%0.27534%0.337SS..EExtended strand (participates in β ladder)trans-136.2138.2-171.2179.4-85000110P99 V130 D134 K137 I145 E146P99-Y132 HydrophobicContact CG-CD2 4.3Å; V130-Y132 VanDerWaalsContact CG1-O 3.32Å; V130-Y132 WeakPolarHBondContact CG1-O 3.32Å; Y132-D134 HydrophobicContact CD1-CB 4.45Å; Y132-D134 HydrophobicContact CE1-CB 3.54Å; Y132-D134 PolarHBondContact OH-OD2 3.17Å; Y132-K137 PolarHBondContact OH-NZ 2.98Å; Y132-K137 VanDerWaalsContact OH-NZ 3.09Å; Y132-I145 CarbonylContact O-C 3.45Å; Y132-I145 WeakPolarHBondContact O-CA 3.31Å; Y132-E146 PolarHBondContact N-O 2.99Å; Y132-E146 PolarHBondContact O-N 3.46Å
133A87.8Confident80.6Confident14 Ų1465.1 Ų65.112%0.11632%0.315CS..EExtended strand (participates in β ladder)trans-140.6144.9175.700000109.8K121 V130 V144K121-A133 HydrophobicContact CB-CB 3.76Å; K121-A133 HydrophobicContact CD-CB 4.23Å; K121-A133 HydrophobicContact CG-CB 4.3Å; V130-A133 HydrophobicContact CG1-CB 4.04Å; A133-V144 CarbonylContact C-O 3.6Å; A133-V144 WeakPolarHBondContact CA-O 3.4Å
134D85.5Confident80.7Confident21 Ų2163.4 Ų63.411%0.11231%0.311CS..EExtended strand (participates in β ladder)trans-155.8131.7-172.2-161-24.3000110.5Y132 K137 G143 V144Y132-D134 HydrophobicContact CD1-CB 4.45Å; Y132-D134 HydrophobicContact CE1-CB 3.54Å; Y132-D134 PolarHBondContact OH-OD2 3.17Å; D134-K137 WeakPolarHBondContact OD2-CD 3.48Å; D134-K137 WeakPolarHBondContact OD2-CE 3.45Å; D134-K137 WeakPolarHBondContact OD2-CG 3.12Å; D134-K137 IonicContact OD2-NZ 3.91Å; D134-K137 PolarHBondContact OD2-NZ 3.38Å; D134-G143 CarbonylContact O-C 3.58Å; D134-G143 VanDerWaalsContact O-CA 3.22Å; D134-G143 WeakPolarHBondContact O-CA 3.48Å; D134-V144 HydrophobicContact CB-CB 4.44Å; D134-V144 PolarHBondContact N-O 3.03Å; D134-V144 PolarHBondContact O-N 2.85Å
135A83.9Confident81Confident21 Ų2163.4 Ų63.417%0.17431%0.311CS..EExtended strand (participates in β ladder)trans-116.4133.1-177.100000110.1W117 K137W117-A135 HydrophobicContact CB-CB 4.13Å; A135-K137 VanDerWaalsContact C-N 3.27Å; A135-K137 PolarHBondContact O-N 2.87Å
136H75.4Confident81.1Confident62 Ų6256.6 Ų56.629%0.28729%0.285SS..SBendtrans64.520.6172.8-49.1-21.3000115.8G138 E142H136-G138 PolarHBondContact O-N 2.91Å; H136-E142 WeakPolarHBondContact CA-O 3.17Å; H136-E142 PolarHBondContact N-O 3.4Å; H136-E142 PolarHBondContact ND1-O 3.07Å
137K63.5Low81.3Confident144 Ų14450 Ų5063%0.62626%0.255SS*.SBendtrans-62.9-11.9-177.8-144.1-152.9-170.272.60116.2Y132 D134 A135Y132-K137 PolarHBondContact OH-NZ 2.98Å; Y132-K137 VanDerWaalsContact OH-NZ 3.09Å; D134-K137 WeakPolarHBondContact OD2-CD 3.48Å; D134-K137 WeakPolarHBondContact OD2-CE 3.45Å; D134-K137 WeakPolarHBondContact OD2-CG 3.12Å; D134-K137 IonicContact OD2-NZ 3.91Å; D134-K137 PolarHBondContact OD2-NZ 3.38Å; A135-K137 VanDerWaalsContact C-N 3.27Å; A135-K137 PolarHBondContact O-N 2.87Å
138G59.9Low81.5Confident66 Ų6652.7 Ų52.768%0.6827%0.27SS*.SBendtrans-135.6-58.8-174.100000112.4H136H136-G138 PolarHBondContact O-N 2.91Å
139R62.5Low81.5Confident164 Ų16453.8 Ų53.862%0.61928%0.275SS*.SBendtrans-127.6157.1171.1-54.6-177.2-83.7-166.53.7110.5E142R139-E142 HydrophobicContact CB-CG 4.11Å; R139-E142 WeakPolarHBondContact CB-OE2 3.44Å; R139-E142 VanDerWaalsContact CG-OE2 3.3Å; R139-E142 WeakPolarHBondContact CG-OE2 3.35Å; R139-E142 IonicContact CZ-OE1 3.35Å; R139-E142 IonicContact CZ-OE2 2.67Å; R139-E142 PolarHBondContact N-OE2 3.35Å; R139-E142 IonicContact NE-OE1 2.95Å; R139-E142 PolarHBondContact NE-OE1 2.59Å; R139-E142 IonicContact NE-OE2 2.58Å; R139-E142 PolarHBondContact NE-OE2 2.79Å; R139-E142 IonicContact NH2-OE1 3.54Å; R139-E142 PolarHBondContact NH2-OE1 2.98Å; R139-E142 IonicContact NH2-OE2 2.85Å; R139-E142 PolarHBondContact O-N 3.13Å
140K69.3Low81.5Confident184 Ų18453.1 Ų53.180%0.827%0.268SS*.THydrogen-bonded Turntrans-59.9141.9168.4-60.8179.9-178.5-179.10108.3E142K140-E142 PolarHBondContact O-N 3.3Å
141N78.8Confident81.5Confident54 Ų5456.3 Ų56.329%0.28929%0.291SS..THydrogen-bonded Turntrans67.312-174.8-41.3-31.1000115.4N110 L111 R168N110-N141 PolarHBondContact N-O 3.14Å; L111-N141 PolarHBondContact N-O 2.64Å; L111-N141 WeakPolarHBondContact O-CA 3.33Å; L111-N141 WeakPolarHBondContact O-CB 3.41Å; L111-N141 PolarHBondContact O-OD1 2.9Å; N141-R168 VanDerWaalsContact CG-NH1 3.28Å; N141-R168 PolarHBondContact OD1-NH1 3.25Å
142E84.4Confident81.6Confident39 Ų3956.5 Ų56.518%0.18229%0.291CS..  trans-109.4159.1168.5-68.5-175.2150.200111.8V108 H136 R139 K140V108-E142 CarbonylContact O-C 3.52Å; V108-E142 VanDerWaalsContact O-CA 3.31Å; V108-E142 WeakPolarHBondContact O-CA 3.38Å; H136-E142 WeakPolarHBondContact CA-O 3.17Å; H136-E142 PolarHBondContact N-O 3.4Å; H136-E142 PolarHBondContact ND1-O 3.07Å; R139-E142 HydrophobicContact CB-CG 4.11Å; R139-E142 WeakPolarHBondContact CB-OE2 3.44Å; R139-E142 VanDerWaalsContact CG-OE2 3.3Å; R139-E142 WeakPolarHBondContact CG-OE2 3.35Å; R139-E142 IonicContact CZ-OE1 3.35Å; R139-E142 IonicContact CZ-OE2 2.67Å; R139-E142 PolarHBondContact N-OE2 3.35Å; R139-E142 IonicContact NE-OE1 2.95Å; R139-E142 PolarHBondContact NE-OE1 2.59Å; R139-E142 IonicContact NE-OE2 2.58Å; R139-E142 PolarHBondContact NE-OE2 2.79Å; R139-E142 IonicContact NH2-OE1 3.54Å; R139-E142 PolarHBondContact NH2-OE1 2.98Å; R139-E142 IonicContact NH2-OE2 2.85Å; R139-E142 PolarHBondContact O-N 3.13Å; K140-E142 PolarHBondContact O-N 3.3Å
143G88.1Confident81.7Confident2 Ų253.3 Ų53.32%0.02128%0.279CS..EExtended strand (participates in β ladder)trans-154169.6175.200000111.9I107 V108 D134I107-G143 WeakPolarHBondContact CA-O 3.25Å; V108-G143 PolarHBondContact N-O 3.23Å; V108-G143 PolarHBondContact O-N 3.41Å; D134-G143 CarbonylContact O-C 3.58Å; D134-G143 VanDerWaalsContact O-CA 3.22Å; D134-G143 WeakPolarHBondContact O-CA 3.48Å
144V88.9Confident81.7Confident20 Ų2058.2 Ų58.212%0.12130%0.297CS..EExtended strand (participates in β ladder)trans-139135.5-178.1171.30000109.4R105 L106 I107 A133 D134R105-V144 HydrophobicContact CG-CG1 3.87Å; L106-V144 WeakPolarHBondContact O-CA 3.41Å; I107-V144 HydrophobicContact CG1-CG2 4.49Å; A133-V144 CarbonylContact C-O 3.6Å; A133-V144 WeakPolarHBondContact CA-O 3.4Å; D134-V144 HydrophobicContact CB-CB 4.44Å; D134-V144 PolarHBondContact N-O 3.03Å; D134-V144 PolarHBondContact O-N 2.85Å
145I89.6Confident81.8Confident0 Ų063 Ų630%031%0.314CS..EExtended strand (participates in β ladder)trans-137.5140.3-177-51.2-178.8000109R105 L106 V108 L120 M124 V130 Y132 F147R105-I145 CarbonylContact C-O 3.58Å; R105-I145 VanDerWaalsContact CA-O 3.3Å; R105-I145 WeakPolarHBondContact CA-O 3.22Å; R105-I145 WeakPolarHBondContact CG-O 3.35Å; L106-I145 PolarHBondContact N-O 2.96Å; L106-I145 PolarHBondContact O-N 2.83Å; V108-I145 HydrophobicContact CG2-CD1 3.5Å; V108-I145 HydrophobicContact CG2-CG1 3.94Å; L120-I145 HydrophobicContact CD1-CD1 3.63Å; L120-I145 HydrophobicContact CD2-CD1 3.89Å; L120-I145 HydrophobicContact CD2-CG1 3.98Å; L120-I145 HydrophobicContact CG-CD1 3.46Å; L120-I145 VanDerWaalsContact CG-CD1 3.46Å; L120-I145 HydrophobicContact CG-CG1 4.04Å; M124-I145 HydrophobicContact CB-CD1 4.41Å; M124-I145 HydrophobicContact CE-CD1 3.71Å; M124-I145 HydrophobicContact CG-CD1 3.36Å; M124-I145 HydrophobicContact CG-CG2 4.28Å; M124-I145 HydrophobicContact SD-CD1 4.38Å; V130-I145 HydrophobicContact CB-CG2 4.48Å; V130-I145 HydrophobicContact CG1-CG2 3.66Å; V130-I145 HydrophobicContact CG2-CG2 3.99Å; Y132-I145 CarbonylContact O-C 3.45Å; Y132-I145 WeakPolarHBondContact O-CA 3.31Å; I145-F147 HydrophobicContact CB-CE2 4.48Å; I145-F147 HydrophobicContact CG2-CD2 4.24Å; I145-F147 HydrophobicContact CG2-CE2 3.75Å; I145-F147 HydrophobicContact CG2-CZ 4.1Å
146E89.1Confident82Confident14 Ų1462 Ų627%0.06531%0.306CS..EExtended strand (participates in β ladder)trans-129.8118-175.9-139.8178.380.500108R101 T102 R105 V130 T131 Y132R101-E146 WeakPolarHBondContact CA-OE1 3.3Å; T102-E146 PolarHBondContact N-OE1 3.26Å; T102-E146 WeakPolarHBondContact O-CG 3.4Å; R105-E146 HydrophobicContact CB-CG 4.38Å; R105-E146 HydrophobicContact CG-CG 4.42Å; V130-E146 CarbonylContact C-O 3.52Å; T131-E146 PolarHBondContact N-O 2.94Å; Y132-E146 PolarHBondContact N-O 2.99Å; Y132-E146 PolarHBondContact O-N 3.46Å
147F88.8Confident82.6Confident0 Ų061.9 Ų61.90%031%0.307CS..EExtended strand (participates in β ladder)trans-96.7151.6-177.3-73.1-90.7000111.9T102 Y104 L106 M124 E129 V130 I145 S149 D152 M153 A156T102-F147 VanDerWaalsContact CB-O 3.24Å; T102-F147 WeakPolarHBondContact CB-O 3.28Å; T102-F147 PolarHBondContact OG1-O 2.99Å; Y104-F147 PolarHBondContact O-N 3.49Å; L106-F147 HydrophobicContact CD1-CE2 3.89Å; L106-F147 HydrophobicContact CG-CE2 4.23Å; M124-F147 HydrophobicContact CB-CE1 4.26Å; M124-F147 HydrophobicContact CB-CZ 3.88Å; M124-F147 HydrophobicContact CE-CE2 4.13Å; M124-F147 HydrophobicContact CE-CZ 3.98Å; M124-F147 HydrophobicContact CG-CZ 4.06Å; M124-F147 HydrophobicContact SD-CZ 4.03Å; E129-F147 WeakPolarHBondContact O-CA 3.37Å; V130-F147 HydrophobicContact CG2-CD1 3.96Å; V130-F147 HydrophobicContact CG2-CE1 3.59Å; V130-F147 HydrophobicContact CG2-CZ 4.06Å; I145-F147 HydrophobicContact CB-CE2 4.48Å; I145-F147 HydrophobicContact CG2-CD2 4.24Å; I145-F147 HydrophobicContact CG2-CE2 3.75Å; I145-F147 HydrophobicContact CG2-CZ 4.1Å; F147-S149 VanDerWaalsContact C-N 3.27Å; F147-S149 PolarHBondContact O-N 3.28Å; F147-D152 HydrophobicContact CB-CB 4.32Å; F147-D152 HydrophobicContact CD1-CB 3.77Å; F147-D152 HydrophobicContact CE1-CB 4.47Å; F147-D152 HydrophobicContact CG-CB 4.31Å; F147-M153 HydrophobicContact CB-CB 4.2Å; F147-M153 HydrophobicContact CD2-CB 3.97Å; F147-M153 HydrophobicContact CD2-CG 4.12Å; F147-M153 HydrophobicContact CG-CB 4.25Å; F147-A156 HydrophobicContact CE1-CB 4.24Å; F147-A156 HydrophobicContact CE2-CB 3.94Å; F147-A156 HydrophobicContact CZ-CB 3.5Å
148V86.6Confident83.6Confident62 Ų6261.5 Ų61.538%0.37631%0.307SS..SBendtrans-64.8-34.4173.9-179.80000111.1E129 T131E129-V148 HydrophobicContact CB-CB 4.36Å; E129-V148 HydrophobicContact CB-CG2 3.93Å; E129-V148 HydrophobicContact CG-CG2 3.81Å; E129-V148 PolarHBondContact O-N 3.17Å; T131-V148 WeakPolarHBondContact OG1-CG2 3.15Å; T131-V148 PolarHBondContact OG1-N 2.84Å
149S85.8Confident84.7Confident40 Ų4065.2 Ų65.228%0.2831%0.305SS..  trans-125.9145.4-173.2179.60000113.3Y104 F147 S151 D152 M153Y104-S149 VanDerWaalsContact CD2-C 3.46Å; F147-S149 VanDerWaalsContact C-N 3.27Å; F147-S149 PolarHBondContact O-N 3.28Å; S149-S151 VanDerWaalsContact C-N 3.27Å; S149-S151 PolarHBondContact O-N 2.75Å; S149-S151 PolarHBondContact OG-N 3.23Å; S149-D152 PolarHBondContact O-N 2.91Å; S149-M153 PolarHBondContact O-N 3.35Å; S149-M153 VanDerWaalsContact O-N 3.11Å
150Y85.3Confident85.7Confident107 Ų10757.7 Ų57.742%0.4228%0.277SS..Hα-helixtrans-61.1-36.5170-177.6-100.7000112Y104 D152 M153 K154Y104-Y150 AromaticContact CD1-CD2 3.86Å; Y104-Y150 HydrophobicContact CD1-CD2 3.86Å; Y104-Y150 HydrophobicContact CD1-CG 4.36Å; Y104-Y150 VanDerWaalsContact CD2-N 3.34Å; Y104-Y150 HydrophobicContact CE1-CD2 4.04Å; Y104-Y150 HydrophobicContact CE1-CG 4.3Å; Y150-D152 VanDerWaalsContact C-N 3.31Å; Y150-D152 PolarHBondContact O-N 2.95Å; Y150-M153 HydrophobicContact CD2-CE 3.57Å; Y150-M153 HydrophobicContact CE2-CE 3.43Å; Y150-M153 VanDerWaalsContact CE2-CE 3.43Å; Y150-M153 PolarHBondContact O-N 2.9Å; Y150-K154 WeakPolarHBondContact O-CB 3.34Å; Y150-K154 PolarHBondContact O-N 2.78Å
151S87.8Confident86.5Confident72 Ų7252.6 Ų52.650%0.50326%0.258SS..Hα-helixtrans-63.7-39.5179-55.80000111.6S149 K154 R155S149-S151 VanDerWaalsContact C-N 3.27Å; S149-S151 PolarHBondContact O-N 2.75Å; S149-S151 PolarHBondContact OG-N 3.23Å; S151-K154 PolarHBondContact O-N 2.98Å; S151-R155 WeakPolarHBondContact O-CB 3.41Å; S151-R155 VanDerWaalsContact O-CG 3.25Å; S151-R155 WeakPolarHBondContact O-CG 3.07Å; S151-R155 PolarHBondContact O-N 2.84Å
152D88.7Confident86.6Confident30 Ų3051.7 Ų51.716%0.1626%0.261CS..Hα-helixtrans-69-44.3178-65.17.4000110.5G128 E129 F147 S149 Y150 K154 R155 A156G128-D152 WeakPolarHBondContact CA-OD2 3.3Å; E129-D152 PolarHBondContact N-OD2 3.38Å; F147-D152 HydrophobicContact CB-CB 4.32Å; F147-D152 HydrophobicContact CD1-CB 3.77Å; F147-D152 HydrophobicContact CE1-CB 4.47Å; F147-D152 HydrophobicContact CG-CB 4.31Å; S149-D152 PolarHBondContact O-N 2.91Å; Y150-D152 VanDerWaalsContact C-N 3.31Å; Y150-D152 PolarHBondContact O-N 2.95Å; D152-K154 VanDerWaalsContact C-N 3.34Å; D152-K154 PolarHBondContact O-N 3.09Å; D152-R155 PolarHBondContact O-N 2.86Å; D152-A156 WeakPolarHBondContact O-CB 3.18Å; D152-A156 PolarHBondContact O-N 2.92Å
153M86.9Confident86.6Confident4 Ų451.2 Ų51.22%0.0226%0.261CS..Hα-helixtrans-58.6-43.6173.6-170.5-165.473.300112Y104 L106 F147 S149 Y150 A156 L157 E174Y104-M153 WeakPolarHBondContact CA-SD 3.41Å; L106-M153 HydrophobicContact CD1-CG 4.2Å; L106-M153 HydrophobicContact CD2-CG 3.53Å; L106-M153 HydrophobicContact CD2-SD 3.95Å; L106-M153 HydrophobicContact CG-CG 3.69Å; F147-M153 HydrophobicContact CB-CB 4.2Å; F147-M153 HydrophobicContact CD2-CB 3.97Å; F147-M153 HydrophobicContact CD2-CG 4.12Å; F147-M153 HydrophobicContact CG-CB 4.25Å; S149-M153 PolarHBondContact O-N 3.35Å; S149-M153 VanDerWaalsContact O-N 3.11Å; Y150-M153 HydrophobicContact CD2-CE 3.57Å; Y150-M153 HydrophobicContact CE2-CE 3.43Å; Y150-M153 VanDerWaalsContact CE2-CE 3.43Å; Y150-M153 PolarHBondContact O-N 2.9Å; M153-A156 PolarHBondContact O-N 3.47Å; M153-L157 PolarHBondContact O-N 2.93Å; M153-E174 HydrophobicContact CE-CG 3.77Å; M153-E174 HydrophobicContact SD-CG 4.23Å
154K87.4Confident86.3Confident116 Ų11657.2 Ų57.250%0.50429%0.289SS..Hα-helixtrans-67.7-43.5177.5-172-175.4175-168.90111.5Y150 S151 D152 A156 L157 E158Y150-K154 WeakPolarHBondContact O-CB 3.34Å; Y150-K154 PolarHBondContact O-N 2.78Å; S151-K154 PolarHBondContact O-N 2.98Å; D152-K154 VanDerWaalsContact C-N 3.34Å; D152-K154 PolarHBondContact O-N 3.09Å; K154-A156 VanDerWaalsContact C-N 3.28Å; K154-A156 PolarHBondContact O-N 3.47Å; K154-L157 WeakPolarHBondContact O-CB 3.49Å; K154-L157 PolarHBondContact O-N 3.33Å; K154-E158 WeakPolarHBondContact O-CB 3.41Å; K154-E158 PolarHBondContact O-N 2.94Å
155R88.1Confident85.8Confident123 Ų12356.7 Ų56.746%0.46429%0.286SS..Hα-helixtrans-61.7-35.8174.9-76.7170.759.8172.9-0.9112.2A127 S151 D152 K159A127-R155 HydrophobicContact CB-CB 4.44Å; A127-R155 PolarHBondContact O-NE 2.67Å; S151-R155 WeakPolarHBondContact O-CB 3.41Å; S151-R155 VanDerWaalsContact O-CG 3.25Å; S151-R155 WeakPolarHBondContact O-CG 3.07Å; S151-R155 PolarHBondContact O-N 2.84Å; D152-R155 PolarHBondContact O-N 2.86Å; R155-K159 WeakPolarHBondContact O-CB 3.24Å; R155-K159 PolarHBondContact O-N 3.11Å
156A87.8Confident84.9Confident0 Ų060.8 Ų60.80%031%0.308CS..Hα-helixtrans-65.1-50.517300000110.6L106 M124 A127 F147 D152 M153 K154 E158 K159 L160 L172L106-A156 HydrophobicContact CD1-CB 4.02Å; M124-A156 HydrophobicContact CE-CB 3.91Å; M124-A156 HydrophobicContact SD-CB 3.96Å; A127-A156 HydrophobicContact CB-CB 3.62Å; F147-A156 HydrophobicContact CE1-CB 4.24Å; F147-A156 HydrophobicContact CE2-CB 3.94Å; F147-A156 HydrophobicContact CZ-CB 3.5Å; D152-A156 WeakPolarHBondContact O-CB 3.18Å; D152-A156 PolarHBondContact O-N 2.92Å; M153-A156 PolarHBondContact O-N 3.47Å; K154-A156 VanDerWaalsContact C-N 3.28Å; K154-A156 PolarHBondContact O-N 3.47Å; A156-E158 PolarHBondContact O-N 3.09Å; A156-K159 PolarHBondContact O-N 3.11Å; A156-L160 HydrophobicContact CB-CD1 4.43Å; A156-L160 WeakPolarHBondContact O-CA 3.47Å; A156-L160 WeakPolarHBondContact O-CB 3.46Å; A156-L160 PolarHBondContact O-N 3.42Å; A156-L172 WeakPolarHBondContact O-CD1 3.46Å
157L87.3Confident84.4Confident59 Ų5963.4 Ų63.431%0.30934%0.338SS..Hα-helixtrans-56.8-36.1176.5-165.178.8000112.9L106 M153 K154 D161 L172L106-L157 HydrophobicContact CD2-CD1 4.27Å; M153-L157 PolarHBondContact O-N 2.93Å; K154-L157 WeakPolarHBondContact O-CB 3.49Å; K154-L157 PolarHBondContact O-N 3.33Å; L157-D161 VanDerWaalsContact O-CB 3.28Å; L157-D161 WeakPolarHBondContact O-CB 3.32Å; L157-L172 HydrophobicContact CD1-CB 3.81Å; L157-L172 WeakPolarHBondContact CD1-O 3.46Å
158E84.1Confident84Confident135 Ų13567.3 Ų67.363%0.63135%0.353SS*.Hα-helixtrans-81.5-32.4-177.6-178176.7-133.700114K154 A156K154-E158 WeakPolarHBondContact O-CB 3.41Å; K154-E158 PolarHBondContact O-N 2.94Å; A156-E158 PolarHBondContact O-N 3.09Å
159K83.5Confident83.9Confident145 Ų14570.1 Ų70.163%0.6336%0.36SS*.Hα-helixtrans-116.8-17.5-170.6-58.1-165.5177.2-163.50115.3R155 A156 T163R155-K159 WeakPolarHBondContact O-CB 3.24Å; R155-K159 PolarHBondContact O-N 3.11Å; A156-K159 PolarHBondContact O-N 3.11Å; K159-T163 WeakPolarHBondContact O-CG2 3.19Å
160L83.6Confident84Confident6 Ų668.2 Ų68.23%0.03135%0.347CS..SBendtrans-116.50.5-176.2-54.1-179.3000112.4Y123 M124 A127 A156 T163 I170 L172Y123-L160 HydrophobicContact CD1-CD1 4.47Å; Y123-L160 HydrophobicContact CE1-CB 4.06Å; Y123-L160 HydrophobicContact CE1-CD1 4.3Å; Y123-L160 HydrophobicContact CE1-CD2 3.75Å; Y123-L160 HydrophobicContact CE1-CG 4.24Å; M124-L160 HydrophobicContact SD-CB 4.11Å; M124-L160 HydrophobicContact SD-CD1 3.41Å; M124-L160 WeakPolarHBondContact SD-CD1 3.4Å; M124-L160 HydrophobicContact SD-CG 4.4Å; A127-L160 HydrophobicContact CB-CD1 3.55Å; A127-L160 HydrophobicContact CB-CG 4.31Å; A156-L160 HydrophobicContact CB-CD1 4.43Å; A156-L160 WeakPolarHBondContact O-CA 3.47Å; A156-L160 WeakPolarHBondContact O-CB 3.46Å; A156-L160 PolarHBondContact O-N 3.42Å; L160-T163 PolarHBondContact O-OG1 2.94Å; L160-I170 WeakPolarHBondContact O-CD1 3.44Å; L160-I170 WeakPolarHBondContact O-CG1 3.46Å; L160-L172 VanDerWaalsContact C-CD1 3.47Å; L160-L172 HydrophobicContact CB-CD1 3.96Å
161D85.6Confident84Confident76 Ų7669.7 Ų69.741%0.40635%0.352SS..THydrogen-bonded Turntrans-73.4141.2165.9-170.948.2000110.8L157 T163 R171 L172L157-D161 VanDerWaalsContact O-CB 3.28Å; L157-D161 WeakPolarHBondContact O-CB 3.32Å; D161-T163 PolarHBondContact O-N 3.16Å; D161-T163 VanDerWaalsContact O-N 3.15Å; D161-R171 WeakPolarHBondContact OD1-CA 3.5Å; D161-L172 HydrophobicContact CB-CB 4.22Å; D161-L172 HydrophobicContact CB-CD1 4.32Å; D161-L172 HydrophobicContact CB-CG 4.32Å; D161-L172 PolarHBondContact OD1-N 2.85Å
162G81.5Confident84Confident35 Ų3566.7 Ų66.736%0.36133%0.33SS..THydrogen-bonded Turntrans71-0.7-178.100000115.9K169 I170G162-K169 WeakPolarHBondContact O-CD 3.44Å; G162-K169 VanDerWaalsContact O-CG 3.28Å; G162-K169 WeakPolarHBondContact O-CG 3.35Å; G162-I170 VanDerWaalsContact CA-O 3.26Å; G162-I170 WeakPolarHBondContact CA-O 3.43Å; G162-I170 PolarHBondContact N-O 3.22Å
163T84.1Confident83.8Confident30 Ų3067.6 Ų67.618%0.18434%0.336CS..  trans-78.8150.2-176.660.10000113.3Y123 K159 L160 D161 V165 K169 I170Y123-T163 VanDerWaalsContact CE1-OG1 3.3Å; Y123-T163 WeakPolarHBondContact CE1-OG1 3.35Å; Y123-T163 WeakPolarHBondContact OH-CB 3.48Å; Y123-T163 WeakPolarHBondContact OH-CG2 3.45Å; Y123-T163 PolarHBondContact OH-OG1 3.27Å; Y123-T163 VanDerWaalsContact OH-OG1 3.06Å; K159-T163 WeakPolarHBondContact O-CG2 3.19Å; L160-T163 PolarHBondContact O-OG1 2.94Å; D161-T163 PolarHBondContact O-N 3.16Å; D161-T163 VanDerWaalsContact O-N 3.15Å; T163-V165 PolarHBondContact O-N 2.77Å; T163-K169 CarbonylContact O-C 3.43Å; T163-K169 VanDerWaalsContact O-CA 3.28Å; T163-K169 WeakPolarHBondContact O-CA 3.5Å; T163-I170 WeakPolarHBondContact O-CG1 3.35Å; T163-I170 PolarHBondContact O-N 2.87Å
164E82.3Confident83.7Confident128 Ų12870.1 Ų70.160%0.59835%0.348SS*.EExtended strand (participates in β ladder)trans-88.9105.4-174.3-69.6-176.1-160.900112.7R168 K169E164-R168 WeakPolarHBondContact CA-O 3.47Å; E164-K169 HydrophobicContact CG-CD 4.36Å; E164-K169 HydrophobicContact CG-CG 3.5Å; E164-K169 VanDerWaalsContact CG-CG 3.5Å; E164-K169 WeakPolarHBondContact OE1-CE 3.49Å; E164-K169 IonicContact OE1-NZ 2.6Å
165V77.8Confident83.2Confident9 Ų965.8 Ų65.86%0.05533%0.331CS..EExtended strand (participates in β ladder)trans-108.3119.2173.7-170.80000109.1Y123 T163 G167 R168 I170Y123-V165 HydrophobicContact CD1-CG2 3.56Å; Y123-V165 HydrophobicContact CD2-CG2 4.15Å; Y123-V165 HydrophobicContact CE1-CG2 3.63Å; Y123-V165 HydrophobicContact CE2-CG2 4.24Å; Y123-V165 HydrophobicContact CG-CG2 3.85Å; T163-V165 PolarHBondContact O-N 2.77Å; V165-G167 VanDerWaalsContact C-N 3.3Å; V165-G167 PolarHBondContact O-N 2.79Å; V165-R168 PolarHBondContact N-O 2.97Å; V165-R168 PolarHBondContact O-N 3.12Å; V165-I170 HydrophobicContact CB-CG2 3.81Å; V165-I170 HydrophobicContact CG2-CD1 3.88Å; V165-I170 HydrophobicContact CG2-CG1 4.12Å; V165-I170 HydrophobicContact CG2-CG2 3.8Å
166N70.6Confident82Confident86 Ų8665.8 Ų65.846%0.4633%0.334SS..THydrogen-bonded Turntrans49.746.9-178.1-65.2-39.3000113.5S112 C115S112-N166 WeakPolarHBondContact CB-O 2.96Å; S112-N166 PolarHBondContact OG-O 2.92Å; C115-N166 PolarHBondContact SG-ND2 3.18Å
167G78.5Confident80.5Confident69 Ų6969.3 Ų69.371%0.71136%0.357SS*.THydrogen-bonded Turntrans76.318175.300000115.5V165V165-G167 VanDerWaalsContact C-N 3.3Å; V165-G167 PolarHBondContact O-N 2.79Å
168R80.8Confident78.7Confident82 Ų8269.2 Ų69.231%0.30937%0.37SS..EExtended strand (participates in β ladder)trans-137.5139.5170.4-65.5-165.1-172.7150.3-1.1111.8L111 N141 E164 V165 I170L111-R168 PolarHBondContact O-NH1 2.89Å; N141-R168 VanDerWaalsContact CG-NH1 3.28Å; N141-R168 PolarHBondContact OD1-NH1 3.25Å; E164-R168 WeakPolarHBondContact CA-O 3.47Å; V165-R168 PolarHBondContact N-O 2.97Å; V165-R168 PolarHBondContact O-N 3.12Å; R168-I170 PolarHBondContact O-N 2.9Å
169K84.6Confident77.2Confident121 Ų12167.6 Ų67.653%0.52637%0.373SS..EExtended strand (participates in β ladder)trans-66.6109.5169.3-66.4-169.4177.7-168.70109.7N110 G162 T163 E164N110-K169 PolarHBondContact ND2-O 2.81Å; G162-K169 WeakPolarHBondContact O-CD 3.44Å; G162-K169 VanDerWaalsContact O-CG 3.28Å; G162-K169 WeakPolarHBondContact O-CG 3.35Å; T163-K169 CarbonylContact O-C 3.43Å; T163-K169 VanDerWaalsContact O-CA 3.28Å; T163-K169 WeakPolarHBondContact O-CA 3.5Å; E164-K169 HydrophobicContact CG-CD 4.36Å; E164-K169 HydrophobicContact CG-CG 3.5Å; E164-K169 VanDerWaalsContact CG-CG 3.5Å; E164-K169 WeakPolarHBondContact OE1-CE 3.49Å; E164-K169 IonicContact OE1-NZ 2.6Å
170I88.2Confident75.6Confident0 Ų069.7 Ų69.70%038%0.377CS..  trans-72.6152.617366.3165.8000109.5V108 L111 Y123 L160 G162 T163 V165 R168 L172V108-I170 HydrophobicContact CG1-CB 3.73Å; V108-I170 HydrophobicContact CG1-CD1 4.12Å; V108-I170 HydrophobicContact CG1-CG1 4.43Å; V108-I170 HydrophobicContact CG1-CG2 4.18Å; L111-I170 HydrophobicContact CD2-CG2 3.65Å; L111-I170 HydrophobicContact CG-CG2 4.45Å; Y123-I170 HydrophobicContact CD1-CD1 4.21Å; Y123-I170 HydrophobicContact CE1-CD1 4.12Å; L160-I170 WeakPolarHBondContact O-CD1 3.44Å; L160-I170 WeakPolarHBondContact O-CG1 3.46Å; G162-I170 VanDerWaalsContact CA-O 3.26Å; G162-I170 WeakPolarHBondContact CA-O 3.43Å; G162-I170 PolarHBondContact N-O 3.22Å; T163-I170 WeakPolarHBondContact O-CG1 3.35Å; T163-I170 PolarHBondContact O-N 2.87Å; V165-I170 HydrophobicContact CB-CG2 3.81Å; V165-I170 HydrophobicContact CG2-CD1 3.88Å; V165-I170 HydrophobicContact CG2-CG1 4.12Å; V165-I170 HydrophobicContact CG2-CG2 3.8Å; R168-I170 PolarHBondContact O-N 2.9Å; I170-L172 HydrophobicContact CD1-CD2 4.2Å
171R84.4Confident74Confident138 Ų13880.4 Ų80.452%0.52142%0.417SS..EExtended strand (participates in β ladder)trans-126.9131.8174.8-178.8-175.2-174.5-137.69.6110.6V108 E109 D161V108-R171 CarbonylContact C-O 3.54Å; V108-R171 WeakPolarHBondContact CA-O 3.19Å; E109-R171 HydrophobicContact CB-CB 4.23Å; E109-R171 PolarHBondContact N-O 3.48Å; E109-R171 PolarHBondContact O-N 2.88Å; E109-R171 IonicContact OE2-CZ 3.59Å; E109-R171 IonicContact OE2-NE 2.73Å; E109-R171 IonicContact OE2-NH1 3.71Å; E109-R171 PolarHBondContact OE2-NH1 3.2Å; D161-R171 WeakPolarHBondContact OD1-CA 3.5Å
172L87.9Confident72.1Confident9 Ų987.7 Ų87.75%0.04744%0.439CS..EExtended strand (participates in β ladder)trans-104.7128.4-173.6-61.2-178.3000111.2L106 V108 M124 A156 L157 L160 D161 I170L106-L172 HydrophobicContact CD1-CB 4.37Å; L106-L172 HydrophobicContact CD1-CD1 4.19Å; L106-L172 HydrophobicContact CD1-CD2 4.37Å; V108-L172 HydrophobicContact CB-CD2 4.22Å; V108-L172 HydrophobicContact CG1-CD2 3.96Å; V108-L172 HydrophobicContact CG2-CD2 3.56Å; M124-L172 HydrophobicContact CE-CD1 3.67Å; M124-L172 HydrophobicContact CE-CD2 3.4Å; M124-L172 HydrophobicContact CE-CG 4.2Å; A156-L172 WeakPolarHBondContact O-CD1 3.46Å; L157-L172 HydrophobicContact CD1-CB 3.81Å; L157-L172 WeakPolarHBondContact CD1-O 3.46Å; L160-L172 VanDerWaalsContact C-CD1 3.47Å; L160-L172 HydrophobicContact CB-CD1 3.96Å; D161-L172 HydrophobicContact CB-CB 4.22Å; D161-L172 HydrophobicContact CB-CD1 4.32Å; D161-L172 HydrophobicContact CB-CG 4.32Å; D161-L172 PolarHBondContact OD1-N 2.85Å; I170-L172 HydrophobicContact CD1-CD2 4.2Å
173V86.1Confident70.1Confident49 Ų4997.4 Ų97.430%0.29747%0.465SS..EExtended strand (participates in β ladder)trans-129.8122.3-178.9-177.20000109.5L106 I107 E109 D175L106-V173 WeakPolarHBondContact CA-O 3.12Å; I107-V173 HydrophobicContact CB-CB 4.47Å; I107-V173 PolarHBondContact N-O 2.76Å; I107-V173 PolarHBondContact O-N 3.16Å; E109-V173 HydrophobicContact CG-CG2 4.22Å; V173-D175 PolarHBondContact O-N 3.16Å
174E84.4Confident68Low57 Ų57100.3 Ų100.327%0.26649%0.487SS..EExtended strand (participates in β ladder)trans-67.3111.7176.6-168.6-171.6168.100111L106 M153 K176L106-E174 HydrophobicContact CD2-CB 4.24Å; M153-E174 HydrophobicContact CE-CG 3.77Å; M153-E174 HydrophobicContact SD-CG 4.23Å; E174-K176 VanDerWaalsContact C-N 3.25Å; E174-K176 HydrophobicContact CG-CG 3.94Å; E174-K176 PolarHBondContact O-N 2.75Å; E174-K176 WeakPolarHBondContact OE1-CE 3.16Å; E174-K176 WeakPolarHBondContact OE2-CE 3.02Å; E174-K176 IonicContact OE2-NZ 3.15Å; E174-K176 PolarHBondContact OE2-NZ 2.91Å
175D76.3Confident66.1Low25 Ų25102.9 Ų102.913%0.13449%0.492CS..  trans-86.265.1-177-168.730.1000111.2R105 I107 V173 P177 R180R105-D175 IonicContact CZ-OD2 3.85Å; R105-D175 IonicContact NE-OD2 2.67Å; R105-D175 PolarHBondContact NE-OD2 3.26Å; R105-D175 IonicContact NH2-OD2 3.68Å; R105-D175 PolarHBondContact NH2-OD2 2.92Å; R105-D175 PolarHBondContact O-N 3.03Å; I107-D175 HydrophobicContact CD1-CB 3.73Å; I107-D175 VanDerWaalsContact CD1-CG 3.46Å; I107-D175 HydrophobicContact CG1-CB 3.9Å; V173-D175 PolarHBondContact O-N 3.16Å; D175-P177 VanDerWaalsContact O-CD 3.25Å; D175-P177 WeakPolarHBondContact O-CD 3.07Å; D175-R180 IonicContact OD1-NH1 3.97Å; D175-R180 PolarHBondContact OD1-NH1 2.57Å
176K63.9Low64.3Low122 Ų122106.8 Ų106.853%0.5352%0.52SS..  trans-50.3108-177.5-67.8-177.1179176.90111.2E174 G178 S179E174-K176 VanDerWaalsContact C-N 3.25Å; E174-K176 HydrophobicContact CG-CG 3.94Å; E174-K176 PolarHBondContact O-N 2.75Å; E174-K176 WeakPolarHBondContact OE1-CE 3.16Å; E174-K176 WeakPolarHBondContact OE2-CE 3.02Å; E174-K176 IonicContact OE2-NZ 3.15Å; E174-K176 PolarHBondContact OE2-NZ 2.91Å; K176-G178 PolarHBondContact O-N 3.25Å; K176-S179 PolarHBondContact O-N 2.86Å
177P54.5Low63.1Low75 Ų75110.8 Ų110.849%0.48753%0.529SS..THydrogen-bonded Turntrans-65.4-18.8-168.722.8-32.6000113.8E103 D175E103-P177 HydrophobicContact CB-CG 4.23Å; D175-P177 VanDerWaalsContact O-CD 3.25Å; D175-P177 WeakPolarHBondContact O-CD 3.07Å
178G50.6Low61.6Low57 Ų57112.4 Ų112.459%0.58853%0.529SS*.THydrogen-bonded Turntrans-70.8-31.4177.600000115.5K176K176-G178 PolarHBondContact O-N 3.25Å
179S52.4Low59.6Low100 Ų100119.2 Ų119.270%0.69955%0.554SS**G310 helixtrans-67.8-49.6-169.1176.80000112.8K176 R181K176-S179 PolarHBondContact O-N 2.86Å; S179-R181 PolarHBondContact O-N 2.77Å
180R50.2Low57.3Low189 Ų189118.5 Ų118.571%0.71357%0.565SS**G310 helixtrans-89.10.4-170.8-65.7173.5177.3149.8-6.2114.2D175D175-R180 IonicContact OD1-NH1 3.97Å; D175-R180 PolarHBondContact OD1-NH1 2.57Å
181R50.1Low54.9Low231 Ų231124.9 Ų124.987%0.87259%0.594SS**G310 helixtrans-12117.1-177.1-94.8-175.5177.1176.50.9116.7S179S179-R181 PolarHBondContact O-N 2.77Å
182R44.3Very low52.6Low229 Ų229122.7 Ų122.786%0.86460%0.6SS**  trans-104.225.9156-79.5-165.8178-124.54.4114.4S184R182-S184 PolarHBondContact O-N 2.8Å
183R41.3Very low50.3Low239 Ų239131.1 Ų131.190%0.90263%0.631SS**SBendtrans-71.586.9155.6-164.1169.6-158144.37.4108.2Y185R183-Y185 PolarHBondContact O-N 3.39Å; R183-Y185 VanDerWaalsContact O-N 3.17Å
184S39.1Very low47.9Very low92 Ų92133.3 Ų133.364%0.64365%0.649SS**  trans-45.8118.9-173.8-59.50000111.7R182 S186R182-S184 PolarHBondContact O-N 2.8Å; S184-S186 PolarHBondContact O-N 2.98Å; S184-S186 PolarHBondContact O-OG 2.78Å
185Y41.6Very low45.7Very low182 Ų182141.2 Ų141.271%0.71468%0.676SS**  trans-74.966.3161.6-179.5-113.2000108.3R183 R187R183-Y185 PolarHBondContact O-N 3.39Å; R183-Y185 VanDerWaalsContact O-N 3.17Å; Y185-R187 HydrophobicContact CD1-CB 3.97Å; Y185-R187 HydrophobicContact CD2-CB 4.33Å; Y185-R187 HydrophobicContact CE1-CB 3.69Å; Y185-R187 HydrophobicContact CE1-CG 4.29Å; Y185-R187 HydrophobicContact CE2-CB 4.06Å; Y185-R187 HydrophobicContact CE2-CG 4.26Å; Y185-R187 HydrophobicContact CG-CB 4.32Å; Y185-R187 PolarHBondContact O-N 3.22Å; Y185-R187 WeakPolarHBondContact OH-CD 3.18Å; Y185-R187 PolarHBondContact OH-NH1 3.41Å
186S41.7Very low43.7Very low90 Ų90145.1 Ų145.163%0.62971%0.705SS**  trans-6967.4166.236.40000108.7S184 S188S184-S186 PolarHBondContact O-N 2.98Å; S184-S186 PolarHBondContact O-OG 2.78Å; S186-S188 PolarHBondContact O-N 2.88Å; S186-S188 PolarHBondContact O-OG 2.9Å
187R45.3Very low42.4Very low171 Ų171150.7 Ų150.765%0.64572%0.723SS**  trans-74.639.6167.8-156.8-152.8-175.478.6-1.6110.8Y185 R189Y185-R187 HydrophobicContact CD1-CB 3.97Å; Y185-R187 HydrophobicContact CD2-CB 4.33Å; Y185-R187 HydrophobicContact CE1-CB 3.69Å; Y185-R187 HydrophobicContact CE1-CG 4.29Å; Y185-R187 HydrophobicContact CE2-CB 4.06Å; Y185-R187 HydrophobicContact CE2-CG 4.26Å; Y185-R187 HydrophobicContact CG-CB 4.32Å; Y185-R187 PolarHBondContact O-N 3.22Å; Y185-R187 WeakPolarHBondContact OH-CD 3.18Å; Y185-R187 PolarHBondContact OH-NH1 3.41Å; R187-R189 PolarHBondContact O-N 2.78Å
188S45.5Very low41.4Very low102 Ų102152.3 Ų152.371%0.71374%0.736SS**  trans-70.239.2161.9420000111.4S186 S190S186-S188 PolarHBondContact O-N 2.88Å; S186-S188 PolarHBondContact O-OG 2.9Å; S188-S190 PolarHBondContact O-N 2.8Å
189R38.8Very low40.7Very low225 Ų225161 Ų16185%0.84975%0.751SS**  trans-92.287.3156.8-95.8-174.4170.1159.3-0107.4R187 H191R187-R189 PolarHBondContact O-N 2.78Å; R189-H191 PolarHBondContact O-N 3.37Å
190S37.5Very low39.8Very low106 Ų106165.1 Ų165.174%0.74176%0.759SS**  trans-6083.1172.5-54.10000110.3S188 S192S188-S190 PolarHBondContact O-N 2.8Å; S190-S192 PolarHBondContact O-N 2.9Å; S190-S192 PolarHBondContact O-OG 3.35Å
191H37.5Very low39Very low134 Ų134161.5 Ų161.562%0.6276%0.763SS**  trans-80.260.9175.9-165.455.7000110.4R189 R193R189-H191 PolarHBondContact O-N 3.37Å; H191-R193 WeakPolarHBondContact NE2-CD 3.39Å; H191-R193 PolarHBondContact NE2-NE 3.44Å; H191-R193 PolarHBondContact O-N 3.29Å
192S36.2Very low38.3Very low93 Ų93162.2 Ų162.265%0.6577%0.766SS**  trans-66.176.8170.439.40000109.4S190 S194S190-S192 PolarHBondContact O-N 2.9Å; S190-S192 PolarHBondContact O-OG 3.35Å; S192-S194 PolarHBondContact O-N 2.79Å; S192-S194 PolarHBondContact O-OG 2.88Å
193R39.9Very low37.7Very low185 Ų185159.6 Ų159.670%0.69876%0.761SS**  trans-77.237.1179.5-141.6-178.1-153.3164.54.7112.4H191 R195H191-R193 WeakPolarHBondContact NE2-CD 3.39Å; H191-R193 PolarHBondContact NE2-NE 3.44Å; H191-R193 PolarHBondContact O-N 3.29Å; R193-R195 VanDerWaalsContact C-N 3.26Å; R193-R195 PolarHBondContact O-N 3.22Å
194S35.3Very low37.2Very low96 Ų96153.4 Ų153.467%0.67175%0.754SS**  trans-67.880.4173.338.50000110.1S192 S196S192-S194 PolarHBondContact O-N 2.79Å; S192-S194 PolarHBondContact O-OG 2.88Å; S194-S196 PolarHBondContact O-N 2.86Å
195R37.8Very low36.9Very low223 Ų223160.4 Ų160.484%0.84277%0.766SS**  trans-76.347.6-178.8-120.4179.6-178.1173.4-2113R193 R197R193-R195 VanDerWaalsContact C-N 3.26Å; R193-R195 PolarHBondContact O-N 3.22Å; R195-R197 PolarHBondContact O-N 2.85Å
196S34.7Very low36.4Very low106 Ų106156.7 Ų156.774%0.74177%0.767SS**  trans-94.878.8174.1-57.40000110.1S194S194-S196 PolarHBondContact O-N 2.86Å
197R36.2Very low36Very low240 Ų240163.4 Ų163.491%0.90678%0.778SS**  trans-113.768.5177.6-79.7-169.6173.8178.4-1.9112.5R195 R199R195-R197 PolarHBondContact O-N 2.85Å; R197-R199 PolarHBondContact O-N 3.42Å
198S32.7Very low35.3Very low108 Ų108161.1 Ų161.176%0.75579%0.789SS**  trans-88.175.1166.943.10000111.1
199R35.6Very low34.7Very low239 Ų239159.2 Ų159.290%0.90279%0.785SS**  trans-123.5104.7167.5-77.8-167.6176.7174.50.3111.4R197 S201R197-R199 PolarHBondContact O-N 3.42Å; R199-S201 PolarHBondContact O-N 2.79Å
200H33.6Very low34.5Very low187 Ų187154.6 Ų154.687%0.86679%0.787SS**  trans-44.1129.5169.6-57.381.1000111.8
201S33.2Very low34.3Very low114 Ų114155.3 Ų155.380%0.79779%0.792SS**  trans-114.6115.7159.1-175.90000108.1R199R199-S201 PolarHBondContact O-N 2.79Å
202R36.4Very low34.1Very low246 Ų246158.6 Ų158.693%0.92881%0.805SS**  trans-88.8106.8169.3-69.2-174.8-179.3-168.81107.8
203K32Very low33.8Very low174 Ų174160.2 Ų160.276%0.75782%0.816SS**  trans-137.3109.6160.1-166.363.6175.8-178.50111.3
204S30.5Very low33.4Very low108 Ų108156.3 Ų156.376%0.75582%0.817SS**  trans-72.3130.8165.239.90000110.3
205R33.2Very low33.1Very low239 Ų239160.3 Ų160.390%0.90283%0.825SS**  trans-155.8145.2141.9-112170.6-177.1162.30.5108.3
206S30.6Very low32.8Very low105 Ų105153.2 Ų153.273%0.73481%0.809SS**  trans-113.8148.3-165.345.70000111.6
207R32.6Very low32.7Very low231 Ų231156.7 Ų156.787%0.87281%0.811SS**  177.1152.3115.7-94.9167.8174.2172.7-2.5111.4
208S31.8Very low32.3Very low123 Ų123150 Ų15086%0.8680%0.801SS**  trans23.8134.8157.651.30000121.2
209G32.9Very low32.2Very low62 Ų62156.8 Ų156.864%0.63981%0.81SS**  cis165.1171.5-1.100000113.2
210S33.2Very low32Very low127 Ų127150.6 Ų150.689%0.88880%0.803SS**  trans52.7139.9171.947.70000118.6
211S34.4Very low31.9Very low122 Ų122153.5 Ų153.585%0.85381%0.807SS**  cis-115.5159.314.353.90000113
212K33.8Very low31.7Very low202 Ų202152.9 Ų152.988%0.87880%0.802SS**  trans-105.8137.6-179.5-60.8174.5-175.9172.40109.5
213S29.3Very low31.3Very low127 Ų127152.1 Ų152.189%0.88880%0.799SS**  trans-122.7131.4160.9-179.40000108.9
214S32.2Very low31.4Very low103 Ų103149.5 Ų149.572%0.7280%0.803SS**  trans-161.9117.1-178.457.40000112.2
215H28Very low31.4Very low181 Ų181148.3 Ų148.384%0.83881%0.808SS**  -152.5-169.2122.2-150.560.3000110.9
216S32.1Very low31.4Very low73 Ų73142.5 Ų142.551%0.5180%0.804SS.*  trans-127-174.4-150.374.50000114.8
217K31.4Very low31.2Very low180 Ų180149.3 Ų149.378%0.78381%0.813SS**  trans73.890.6162.3-73.1169.6178.8173.60119.1
218S28.4Very low31.1Very low100 Ų100143.4 Ų143.470%0.69981%0.808SS**  36.1125.4115.4650000120.4
219R31.1Very low30.9Very low250 Ų250149.6 Ų149.694%0.94381%0.812SS**  -163.7156.598.8-106.9167.6174.4152.2-2.6112.1
220S31.5Very low30.7Very low108 Ų108151.8 Ų151.876%0.75582%0.818SS**  trans-93.9154.8-179.451.30000112.3
221R30.2Very low30.8Very low248 Ų248155.8 Ų155.894%0.93682%0.82SS**  trans-163171.7143.7-106.2149.6-173.41700.9110.3
222S29.7Very low30.5Very low101 Ų101155.4 Ų155.471%0.70682%0.817SS**  trans-148.4154.9-143.3570000114.6
223R29Very low30.2Very low230 Ų230156.9 Ų156.987%0.86882%0.817SS**  trans49.3122.5146.3-74.6-177.3171.3168.3-2.4119.1
224S33.2Very low30.3Very low120 Ų120156 Ų15684%0.83981%0.811SS**  trans52.1116.3140.662.40000119.6
225G31Very low30.2Very low83 Ų83162.5 Ų162.586%0.85682%0.819SS**  trans-165.4117.8161.200000111.3
226S33.5Very low30.5Very low117 Ų117158.4 Ų158.482%0.81881%0.811SS**  trans-95.1127.3173.745.60000110.4
227R26.2Very low30.3Very low247 Ų247163.6 Ų163.693%0.93283%0.827SS**  trans-168.1152.7151.9-111.7158.3-176.61750113.6
228S30.6Very low30.3Very low108 Ų108159.7 Ų159.776%0.75582%0.823SS**  trans-55.3145174.649.80000115.4
229R26.2Very low30.3Very low252 Ų252166.4 Ų166.495%0.95183%0.833SS**  trans-159.4150.3138.7-128173.1-177.6158.30.9113
230S29.6Very low30.4Very low109 Ų109159.9 Ų159.976%0.76283%0.825SS**  trans-110.1124.7179.538.60000112.5
231K34.6Very low30.3Very low211 Ų211166.4 Ų166.492%0.91783%0.833SS**  4796.1129.7-161.5176.7-173.2176.60119.8
232S28.6Very low30.4Very low114 Ų114160.6 Ų160.680%0.79783%0.831SS**  trans-145.9145.7142.453.20000108.2
233R28.4Very low30.7Very low233 Ų233165.1 Ų165.188%0.87984%0.838SS**  cis94.4111.321.1-139.7-173-167.2175.83.2114.6
234S30.8Very low30.8Very low108 Ų108163 Ų16376%0.75584%0.835SS**  trans28147.6151.458.10000123.1
235R30.3Very low30.8Very low239 Ų239163.5 Ų163.590%0.90282%0.824SS**  trans-71.8149.4179.4-69175.4159.6153.5-9115.2
236S33.7Very low30.6Very low95 Ų95167.6 Ų167.666%0.66482%0.818SS**  trans52.3106.3139.563.30000123.3
237Q28.7Very low30.5Very low183 Ų183166.6 Ų166.686%0.85581%0.811SS**  97.2135.2104.5-162.4164.8-18.500122.5
238S31.5Very low30.5Very low98 Ų98166.6 Ų166.669%0.68581%0.811SS**  trans75.3107.8156.741.90000124.8
239R28.1Very low31Very low241 Ų241166.9 Ų166.991%0.90981%0.813SS**  84.4148.7125.2-71.3-176.9172.1176.3-2.1123.8
240S32.6Very low31.7Very low112 Ų112160.2 Ų160.278%0.78380%0.803SS**  trans80.899.7157.921.50000123.8
241R29.1Very low31.9Very low245 Ų245160 Ų16093%0.92580%0.801SS**  24128.7127.6-61.2175.5174.5169-3.4120.8
242S32.8Very low31.9Very low127 Ų127158 Ų15889%0.88879%0.793SS**  177.7-155.998.160.10000112.7
243K35.9Very low32.1Very low196 Ų196157 Ų15785%0.85278%0.778SS**  trans-128.5165.7-153.4-62-179.3177.9177.80115.9
244K32.3Very low32.2Very low184 Ų184153.1 Ų153.180%0.877%0.768SS**  trans100.5123.3136.5-98.3-156.6164.1-172.30122.1
245E31.7Very low32.2Very low132 Ų132152.5 Ų152.562%0.61776%0.764SS**  74.9137.8127.2-74.2-79.196.700125
246K27.8Very low32.2Very low168 Ų168152.7 Ų152.773%0.7376%0.764SS**  trans78.6101138.9-89172.9-179.8171.70125
247S31.7Very low32.1Very low97 Ų97154.2 Ų154.268%0.67878%0.775SS**  77.9139.8108.6750000124.3
248R26.7Very low32.2Very low246 Ų246157.1 Ų157.193%0.92878%0.778SS**  trans74.1137.7148.7-76.5176.2175174-2.1120.3
249S39.6Very low32.3Very low114 Ų114158.5 Ų158.580%0.79779%0.788SS**  trans-104.2160.7171.4-23.30000111.8
250P40.8Very low32.5Very low112 Ų112158.2 Ų158.273%0.72779%0.787SS**  -112.5152.1127.6-5.326.3000110
251S34.3Very low32.7Very low105 Ų105159 Ų15973%0.73479%0.792SS**  cis68.5142.646.1102.30000112.4
252K33.8Very low32.8Very low170 Ų170152.2 Ų152.274%0.73979%0.789SS**  cis-170.7-176.310.9-134.1-176.5176-135.30108.1
253D33.6Very low32.7Very low91 Ų91149.7 Ų149.749%0.48778%0.783SS.*  cis-159167.7-6.1-152.6-13.5000109.8
254K30.7Very low32.5Very low152 Ų152150.9 Ų150.966%0.66179%0.788SS**  trans48.9111.8147.4-82.3155.6-164.91440127.5
255S31.1Very low32.6Very low96 Ų96147 Ų14767%0.67178%0.784SS**  56.8133.2105.576.30000126.7
256R30.2Very low32.6Very low242 Ų242151.9 Ų151.991%0.91380%0.797SS**  trans42.7129.3134.8-70179170.5164.9-3.6121.5
257S32.1Very low33Very low128 Ų128148.8 Ų148.890%0.89580%0.796SS**  173.7-160.710460.30000113.7
258R30.7Very low33Very low243 Ų243154.3 Ų154.392%0.91781%0.808SS**  trans-117.5153.8-168.1-59.4165.4167.8153.5-8.9111.6
259S32.8Very low33.5Very low127 Ų127147.9 Ų147.989%0.88880%0.801SS**  trans-179.9-166.4136.155.90000112.7
260R32Very low33.2Very low236 Ų236150.4 Ų150.489%0.89180%0.797SS**  trans-139.5177.5-164.1-74.5177.7166.7173-5.8112.3
261S36.2Very low32.9Very low127 Ų127150.2 Ų150.289%0.88879%0.79SS**  trans78.3151.5174.182.90000114.5
262A31.9Very low32.9Very low104 Ų104153.6 Ų153.686%0.8679%0.794SS**  cis-150.9173.8-5.700000108.6
263G30.6Very low32.9Very low74 Ų74149.8 Ų149.876%0.76379%0.794SS**  cis14499.3-6.400000113.3
264K31.4Very low32.9Very low221 Ų221154.8 Ų154.896%0.96182%0.815SS**  trans-158176.9171.2-126.7163.8-175171.40112.5
265S35.6Very low33Very low102 Ų102155.4 Ų155.471%0.71382%0.82SS**  trans-138.4174.6-138.456.40000118.3
266R31Very low33.2Very low235 Ų235159.5 Ų159.589%0.88783%0.826SS**  trans100.6142.6167.9-63.3176.2170.9169.1-4.1117.1
267S35.8Very low33.6Very low102 Ų102154.7 Ų154.771%0.71382%0.817SS**  cis-177.4124.4-25.748.20000113.3
268K33Very low33.7Very low214 Ų214157.7 Ų157.793%0.9382%0.817SS**  trans177.1159.2136.7-102.8179.1177.1-176.60112.7
269S35.5Very low33.7Very low111 Ų111153 Ų15378%0.77681%0.81SS**  trans-80.1165.6-168.6-36.30000114.1
270K34.7Very low33.7Very low167 Ų167154.2 Ų154.273%0.72681%0.806SS**  cis67.8137.829.6-119.1-172.6168.1-82.80113.3
271D33.9Very low33.7Very low108 Ų108149.8 Ų149.858%0.57880%0.8SS**  cis-128.6173.17.7-85.6-83000109.8
272Q34.1Very low33.5Very low175 Ų175151.4 Ų151.482%0.81880%0.799SS**  cis83.8116.929.4-135.9-171.733.800117.1
273A34.1Very low33.6Very low90 Ų90151.1 Ų151.174%0.74480%0.797SS**  trans142.9123136.600000118.6
274E32.8Very low33.6Very low197 Ų197151.3 Ų151.392%0.92180%0.798SS**  trans58.4172.8133.5-57.2-157.8127.800126.1
275E34.1Very low33.9Very low164 Ų164150 Ų15077%0.76679%0.793SS**  trans-86.3163.8-171.2-35.6179.4122.700114.4
276K34.9Very low34.6Very low182 Ų182150.2 Ų150.279%0.79179%0.792SS**  -178.1-175.589-130.1163.8-168.5170.30115.1
277I38.9Very low34.9Very low142 Ų142148.8 Ų148.873%0.72879%0.792SS**  trans-100.4138-166.9-57.9158.6000111.5
278Q33.3Very low34.9Very low190 Ų190149.1 Ų149.189%0.88879%0.794SS**  trans-174.7165.7133.8-103.4166.914.700113.1
279N31.8Very low34.8Very low146 Ų146149.8 Ų149.878%0.78179%0.791SS**  trans-102157.9-174.2-45.5-51.6000112.1
280N31.6Very low34.7Very low152 Ų152149.6 Ų149.681%0.81379%0.79SS**  -169.6171.7116.9-113.523.2000113.8
281D32.6Very low35.6Very low143 Ų143147.1 Ų147.177%0.76579%0.791SS**  trans-74163-173.2-44.5-99000115.4
282N31Very low35.5Very low160 Ų160147.4 Ų147.486%0.85680%0.801SS**  175161103.3-159.3-1.7000112.6
283A34.3Very low35.5Very low98 Ų98149.2 Ų149.281%0.8180%0.8SS**  trans65151.3169.400000118.2
284G31.2Very low35.4Very low78 Ų78153.5 Ų153.580%0.80480%0.804SS**  cis-170.4142.2-5.200000111.3
285K37Very low35.3Very low195 Ų195153.7 Ų153.785%0.84880%0.802SS**  trans-110153.1-160.2-151.8171.1-169.3172.80114.9
286P51.5Low35.2Very low105 Ų105151.7 Ų151.768%0.68281%0.807SS**  trans-134179.9132.113.79.2000112.1
287K36.8Very low35Very low205 Ų205152.5 Ų152.589%0.89181%0.81SS**  cis-171.5132.5-37.8-99.5174.1-176.5178.10105.3
288S35.9Very low34.6Very low109 Ų109150.6 Ų150.676%0.76281%0.809SS**  cis-119.6-102.1-10.640.70000110.8
289R30.8Very low34.4Very low229 Ų229151.2 Ų151.286%0.86481%0.809SS**  cis-151.5157.7-17.1-157.8171.6-176.3167.13.1108.8
290S34.1Very low34.4Very low107 Ų107148.2 Ų148.275%0.74880%0.8SS**  trans-151.7-164.8-173.9-42.70000109.4
291P53.3Low34.3Very low115 Ų115152 Ų15275%0.74780%0.802SS**  cis-142.1173.1-9.741.7-23.7000117.1
292S31.9Very low34.4Very low114 Ų114150.3 Ų150.380%0.79780%0.802SS**  trans160.9138.8141.945.30000108.9
293R33.7Very low34.3Very low213 Ų213154.6 Ų154.680%0.80481%0.806SS**  cis89.5107.821.9-161-171.4-155.5-149.89.5114.2
294H31.8Very low34.3Very low179 Ų179154.4 Ų154.483%0.82980%0.799SS**  -179172.1128.7-101.2-75.1000112
295K31.7Very low34.3Very low202 Ų202159 Ų15988%0.87880%0.8SS**  trans-154.9124.9-167.2168.8-174.2176.6-179.60111.1
296S31.9Very low34Very low122 Ų122155.8 Ų155.885%0.85379%0.787SS**  trans-160.3136170.448.50000115.4
297K29.4Very low33Very low199 Ų199159.3 Ų159.387%0.86579%0.787SS**  trans-62.3169.9155.7-87.7-179.2177.8179.90110.4
298S30.8Very low32.8Very low101 Ų101159.7 Ų159.771%0.70678%0.783SS**  cis-179.1154.5-10.948.70000109.3
299K28.7Very low32.7Very low203 Ų203159.3 Ų159.388%0.88378%0.776SS**  trans-180159.5153.9-102.1165.6-179176.30108.4
300S31.6Very low32.8Very low84 Ų84156.5 Ų156.559%0.58777%0.772SS**  cis174156.7-32.155.50000108
301R31.2Very low32.6Very low230 Ų230159.2 Ų159.287%0.86877%0.773SS**  trans71.3113.7175.5-56.1173.6172.3160.1-3.9113.9
302S33.1Very low31.5Very low109 Ų109159.4 Ų159.476%0.76276%0.764SS**  cis81.7113.621.992.50000116.8
303R29.8Very low31.6Very low250 Ų250161.2 Ų161.294%0.94376%0.758SS**  trans-145.7116.9139.6-163.2168.3-170.9156.52.8108.8
304S33.3Very low31.5Very low94 Ų94162.9 Ų162.966%0.65776%0.764SS**  trans-108.1160.1179.7-49.60000110
305Q31.3Very low31.3Very low175 Ų175157.8 Ų157.882%0.81876%0.76SS**  177.2141119.7-89179.1-47.700107.3
306E31.3Very low31.4Very low126 Ų126153.5 Ų153.559%0.58976%0.755SS**  cis72.5144.744.7-61.8-161.2127.900112.6
307R30.9Very low31.4Very low180 Ų180153.8 Ų153.868%0.67975%0.752SS**  cis-168.2164.25.1-125.9177-148.5177.618.8110
308R32Very low31.6Very low213 Ų213149.2 Ų149.280%0.80475%0.745SS**  trans41.8164.8137.4-81.1-176.2176.3-124.31.2121.9
309V33.6Very low31.7Very low100 Ų100156.2 Ų156.261%0.60676%0.756SS**  cis-172175.4-30.4123.20000106.8
310E32.5Very low31.7Very low170 Ų170150.2 Ų150.279%0.79475%0.751SS**  trans73.2146.7172.3-84.9149.9-143.100116.6
311E29.8Very low31.7Very low165 Ų165157.4 Ų157.477%0.77177%0.766SS**  cis-155.3-167.7-17.8-143.8-156.6133.700111.5
312E31.4Very low31.7Very low119 Ų119150.1 Ų150.156%0.55675%0.75SS**  trans78.8108.1162.1-76.6-70.685.300123.3
313K33.2Very low31.7Very low151 Ų151152.9 Ų152.966%0.65775%0.751SS**  trans32.8120.3143.3-62.1176.6-175.877.10122.1
314R31.5Very low31.6Very low248 Ų248146.9 Ų146.994%0.93673%0.734SS**  161.3152.4104.1-82.4-176-163.9-111.6-1.1110.6
315G29Very low31.6Very low72 Ų72149.7 Ų149.774%0.74273%0.734SS**  trans130.260.416300000120.4
316S33Very low31.5Very low112 Ų112146.3 Ų146.378%0.78373%0.729SS**  trans43.4112.8147.458.90000123.8
317V32.4Very low31.6Very low128 Ų128147.1 Ų147.178%0.77674%0.737SS**  69.988.8124.9-172.50000120.8
318S33.4Very low31.7Very low104 Ų104148.4 Ų148.473%0.72774%0.742SS**  67.7159128.490.60000120.7
319R32.4Very low31.6Very low248 Ų248145.3 Ų145.394%0.93674%0.737SS**  cis-157.4130.2-22-121.8176.1176.7159.8-1.7106.3
320G28.6Very low31.5Very low76 Ų76145.1 Ų145.178%0.78474%0.74SS**  trans-103.4155.717900000114
321R31.2Very low31.4Very low236 Ų236149 Ų14989%0.89175%0.747SS**  trans177.2132.3154-94.6-153.4140.7155.6-4.1107.3
322S32.3Very low31.5Very low77 Ų77146.3 Ų146.354%0.53875%0.746SS.*  59.3135.959.580.80000113.1
323Q31.7Very low31.5Very low166 Ų166152.9 Ų152.978%0.77677%0.766SS**  cis-167.6165.22.6-120.8177.5-84.900106.7
324E29.2Very low31.5Very low125 Ų125150.5 Ų150.558%0.58477%0.768SS**  cis-162.8-160.8-5.8-152.9-165.2132.300108.5
325K32.2Very low31.6Very low153 Ų153150.9 Ų150.967%0.66577%0.77SS**  trans38.2106.1152.6-76.3-177.8-172.579.20120.2
326S30.7Very low31.8Very low103 Ų103152.6 Ų152.672%0.7277%0.77SS**  131.3141.294.769.70000119
327L33.4Very low31.9Very low144 Ų144156.9 Ų156.975%0.75478%0.775SS**  trans58.2116.1147.3-67.1166.7000122.5
328R32.1Very low31.9Very low206 Ų206155.7 Ų155.778%0.77778%0.778SS**  trans84.4122.4130.4-78.5179.1178-104.61.3121.5
329Q29.3Very low31.8Very low149 Ų149154.4 Ų154.470%0.69678%0.782SS**  90.192.8123.5-165162.2-15.500119.5
330S32.3Very low31.8Very low96 Ų96148.4 Ų148.467%0.67178%0.778SS**  trans38.5121.1140.465.90000120.1
331R30.5Very low31.9Very low251 Ų251156 Ų15695%0.94778%0.783SS**  trans-152.8144.1139.2-118157.3-174.1172.41115.1
332S31.3Very low31.9Very low108 Ų108150.8 Ų150.876%0.75578%0.782SS**  trans-62.1148.6173.142.70000112.7
333R32.3Very low32.1Very low258 Ų258158.9 Ų158.997%0.97480%0.801SS**  trans-88.7112.1162.1-80.4-177.5170.7169-2.4109.9
334S32Very low32Very low100 Ų100156.6 Ų156.670%0.69980%0.803SS**  trans-90.4148.8163.449.10000110.5
335R34.6Very low32.2Very low256 Ų256162.7 Ų162.797%0.96682%0.821SS**  trans-138.8137.5152.4-89.3-167.9168.2178.6-4108.4
336S33.3Very low32.1Very low108 Ų108160.6 Ų160.676%0.75583%0.826SS**  trans-149.5140.2-165.252.20000112.2
337K35.6Very low32Very low202 Ų202167 Ų16788%0.87883%0.834SS**  trans-128.4119.3145.9-67.4-172.3174.6-173.60104.3
338A32.1Very low31.9Very low103 Ų103165.1 Ų165.185%0.85183%0.833SS**  54124.876.700000111
339G30.2Very low32Very low78 Ų78165 Ų16580%0.80484%0.838SS**  cis178.5178.91.500000106.7
340S32.8Very low32.2Very low121 Ų121163 Ų16385%0.84684%0.841SS**  cis-159.7163-3.547.90000110.4
341R31.4Very low32.4Very low237 Ų237167.8 Ų167.889%0.89485%0.849SS**  trans-27.9142.8173.8-56.4162.7176.1154.7-4.2117.3
342S31.5Very low32.7Very low125 Ų125161.9 Ų161.987%0.87484%0.837SS**  174.1165.2114.3-80.20000114.6
343R35.5Very low32.8Very low247 Ų247164.8 Ų164.893%0.93284%0.836SS**  trans-106.7144.5175.1-64.7168.5170.6157.2-6.8110.7
344S29.8Very low32.9Very low118 Ų118164.5 Ų164.583%0.82584%0.835SS**  trans-158.5162.5155.456.10000112.1
345R32.9Very low33.1Very low253 Ų253170 Ų17096%0.95585%0.846SS**  trans-128.9113.9179.6-79.4174.2165.3165.2-7.3110.3
346S30.1Very low32.9Very low109 Ų109161.4 Ų161.476%0.76284%0.837SS**  trans-162.9126.4164.535.80000108.2
347R28.9Very low32.9Very low237 Ų237168.5 Ų168.589%0.89485%0.848SS**  86.5107.858.5-93.1-172167.8176.1-3.2114.4
348S31Very low32.9Very low105 Ų105168.4 Ų168.473%0.73485%0.847SS**  trans82.6104.8135.2-52.70000121.9
349K34Very low32.8Very low204 Ų204175.4 Ų175.489%0.88785%0.851SS**  trans167.3114.9131.3-89.7159.7-176.7-178.60106.8
350S34.8Very low33.5Very low108 Ų108177.3 Ų177.376%0.75585%0.853SS**  61.9116.459.6-159.30000110.9
351K34.7Very low33.4Very low195 Ų195181.4 Ų181.485%0.84885%0.849SS**  cis-152.1170.449.6-79.9177.7179.2176.20111.1
352D37.2Very low33.7Very low128 Ų128179.1 Ų179.168%0.68485%0.849SS**  cis-172.9169.8-21.3-178.419000108.8
353K33.2Very low33.7Very low169 Ų169180.1 Ų180.174%0.73584%0.84SS**  trans66.9104.3165.1-50.4-177.2-175.9171.10119.5
354R35.8Very low33.6Very low251 Ų251173.3 Ų173.395%0.94783%0.83SS**  -167.2156.588.9-97.4174.9-176-166.60.3112.1
355K35Very low33.6Very low216 Ų216179.9 Ų179.994%0.93984%0.837SS**  trans-78140.1-172.8-63.1175.1-179.71750111.4
356G31.6Very low33.4Very low76 Ų76173 Ų17378%0.78483%0.828SS**  trans-110.7170.6166.800000112.6
357R33.2Very low33.3Very low257 Ų257179.1 Ų179.197%0.9783%0.834SS**  trans-146133.6161.9-127.5176.3-179-172-0.3110.6
358K35.9Very low33.3Very low199 Ų199172.6 Ų172.687%0.86583%0.825SS**  trans-89158.2179.5-52.1176.4-177.9-179.80110.3
359R30Very low33.2Very low250 Ų250179.3 Ų179.394%0.94383%0.834SS**  -173.3146.9116-102160.7-178.5174.1-0.6113.4
360S43.3Very low33Very low119 Ų119174.7 Ų174.783%0.83283%0.827SS**  trans-92.4157.7168.548.90000110.8
361R32.6Very low32.7Very low206 Ų206181.3 Ų181.378%0.77784%0.835SS**  trans-154.5117.8164.6-168.2165.2-171.5161.31.4111.3E363R361-E363 IonicContact CZ-OE2 3.12Å; R361-E363 IonicContact NE-OE2 2.98Å; R361-E363 PolarHBondContact NE-OE2 3.33Å; R361-E363 IonicContact NH2-OE1 3.88Å; R361-E363 IonicContact NH2-OE2 2.65Å; R361-E363 PolarHBondContact NH2-OE2 3.48Å
362E36.4Very low32.6Very low189 Ų189177.6 Ų177.688%0.88383%0.834SS**  trans-76.8150.9146.9-75.1-166.5119.800108.3
363E31.8Very low32.3Very low146 Ų146181.1 Ų181.168%0.68284%0.844SS**  trans-155.1146.1143.9-150.4151.5151.400113.2R361R361-E363 IonicContact CZ-OE2 3.12Å; R361-E363 IonicContact NE-OE2 2.98Å; R361-E363 PolarHBondContact NE-OE2 3.33Å; R361-E363 IonicContact NH2-OE1 3.88Å; R361-E363 IonicContact NH2-OE2 2.65Å; R361-E363 PolarHBondContact NH2-OE2 3.48Å
364S32.7Very low32.3Very low104 Ų104178.6 Ų178.673%0.72785%0.847SS**  trans-145.7114.7161.261.40000111.1
365R30Very low32.1Very low256 Ų256175.5 Ų175.597%0.96684%0.843SS**  trans-176.8162.5147.3-101.7150.2-169.9-177.64111.4
366S30.3Very low31.8Very low109 Ų109177.2 Ų177.276%0.76284%0.844SS**  trans-121.5149.1-169.553.40000112
367R27.8Very low31.8Very low237 Ų237177.8 Ų177.889%0.89484%0.836SS**  trans-174111.3139.5-106.3161.7-179.6171.50.2114.8
368S28.3Very low31.8Very low100 Ų100176.1 Ų176.170%0.69983%0.829SS**  trans33.2124.8133.560.70000121.5
369R27.9Very low31.6Very low247 Ų247174.8 Ų174.893%0.93282%0.824SS**  -164.2170.4109-107.9167.9178.2167.1-2.4114.2
370S29.7Very low31.7Very low106 Ų106173.7 Ų173.774%0.74182%0.82SS**  trans-80.9129-155.642.60000118.8
371R29.8Very low31Very low247 Ų247171.9 Ų171.993%0.93282%0.82SS**  trans17.5128.3131.4-66.7178.4171.3175.6-3.8121.1
372S32.1Very low31Very low118 Ų118167.9 Ų167.983%0.82582%0.823SS**  -171.8159.2127.565.80000107.8
373K31.9Very low30.8Very low202 Ų202167.7 Ų167.788%0.87882%0.819SS**  cis-159.9122.4-7.9-150.6-174.2-178.2-172.70109.6
374S31.8Very low31Very low115 Ų115170.3 Ų170.380%0.80482%0.823SS**  trans177.3117.2159.544.50000109.1
375E30.9Very low31.1Very low186 Ų186171.9 Ų171.987%0.86982%0.823SS**  94.470.876.4-79.2-68.999.200114.6
376R29.8Very low31.3Very low253 Ų253165.7 Ų165.796%0.95582%0.819SS**  trans-164.2143.8135.8-138.7173.5-178.2-175.80.6110.7
377S32.1Very low31.6Very low87 Ų87170 Ų17061%0.60882%0.824SS**  trans-154.4153.4177.285.30000113.9
378R32.9Very low31.8Very low222 Ų222163.3 Ų163.384%0.83882%0.82SS**  trans69.2155.2163.2-55159.8-168.7-161.42114.5
379K31.5Very low31.9Very low171 Ų171162.3 Ų162.374%0.74383%0.825SS**  cis-156.4169-19.9-119.9178.9179.4176.20109.3
380R31.1Very low32.1Very low228 Ų228156.4 Ų156.486%0.8682%0.822SS**  trans-1.2130.8153.8-58.5174176.9-175.8-4.1117.6
381G28.5Very low32.3Very low81 Ų81156.2 Ų156.284%0.83582%0.82SS**  trans-105.8-176.1165.800000114.3
382S33Very low32.5Very low121 Ų121154.7 Ų154.785%0.84682%0.82SS**  trans-158.5167.4174.753.80000113
383K32.4Very low32.6Very low186 Ų186157.9 Ų157.981%0.80982%0.82SS**  trans-33.5161.7160.5-66.1177178.3178.40114.9
384R35.6Very low32.7Very low201 Ų201157.6 Ų157.676%0.75882%0.818SS**  cis-170.1164.324-140.3176.4165.2179.8-1.3112.8
385D35Very low32.8Very low136 Ų136161.1 Ų161.173%0.72782%0.819SS**  trans60.2163.3155.6-57.3-34.7000116.9
386S35.6Very low33Very low126 Ų126159.6 Ų159.688%0.88181%0.809SS**  cis-131-146.920.769.30000115.2
387K34.9Very low33.3Very low199 Ų199153 Ų15387%0.86579%0.789SS**  trans-140.7131.3-134.4176.9-175171.9-170.90117.9
388A33Very low33.3Very low98 Ų98155.1 Ų155.181%0.8179%0.794SS**  trans-135.4176.3153.400000108
389G30.6Very low33.5Very low78 Ų78149.8 Ų149.880%0.80479%0.787SS**  cis129.3128.3-0.100000110.7
390S32Very low33.6Very low124 Ų124148.6 Ų148.687%0.86779%0.788SS**  cis-125.5-109.1-3.4-178.20000112.2
391S33.1Very low33.6Very low102 Ų102149.5 Ų149.571%0.71379%0.791SS**  trans-152.1142.3-168.660.20000116.2
392K35.3Very low33.9Very low214 Ų214150 Ų15093%0.9378%0.783SS**  trans-166.3-173.1137.4-110.9168.8-176.1173.90112.1
393K34Very low33.9Very low186 Ų186153.2 Ų153.281%0.80978%0.784SS**  trans-144.4158.4-132.6-157.4-177.6-174.7172.30114.7
394K34.4Very low33.8Very low195 Ų195149 Ų14985%0.84878%0.778SS**  trans67.5168.2168.4-69.9-172.7176.4-177.50116.8
395K33Very low33.6Very low190 Ų190151 Ų15183%0.82679%0.786SS**  -160.7175.8-51.7-150.5-154171.3-163.90107.1
396K35.8Very low33.7Very low153 Ų153150 Ų15067%0.66579%0.789SS**  trans-112.4172.6-168.2-164-172.5167-139.10111
397E35.4Very low33.9Very low114 Ų114149.5 Ų149.553%0.53378%0.783SS.*  trans76.9151.9162.2-73.7131.6175.500117.3
398D32.9Very low33.7Very low133 Ų133144.8 Ų144.871%0.71178%0.775SS**  cis-154.91717.1-133-42.1000117.1
399T37.2Very low33.5Very low110 Ų110151.6 Ų151.668%0.67578%0.78SS**  trans3.1138.7159.527.40000126.8
400D33.8Very low33.5Very low145 Ų145152.1 Ų152.178%0.77577%0.771SS**  51.5126.2123.3-126.8-48.1000124.1
401R31.2Very low33.5Very low247 Ų247154.1 Ų154.193%0.93277%0.769SS**  trans-165165.2136.6-128.9175.8175.6124.9-1.9114.3
402S33.9Very low33.5Very low93 Ų93154.2 Ų154.265%0.6577%0.77SS**  trans-143.8153.7-172.557.10000114.2
403Q33.9Very low33.5Very low188 Ų188153.6 Ų153.688%0.87977%0.767SS**  trans59139.4167.3-55.6-177.2-16.900116.7
404S30.5Very low33.4Very low97 Ų97152.6 Ų152.668%0.67877%0.765SS**  cis-179.5168.647.459.70000113
405R29.9Very low33.4Very low243 Ų243155.6 Ų155.692%0.91777%0.771SS**  trans67.8143.9155.3-69.6173.4177.1-171.7-1.8121.4
406S36.9Very low33.5Very low114 Ų114153.9 Ų153.980%0.79777%0.766SS**  trans-93.9169.8171-37.30000111
407P40Very low33.5Very low116 Ų116154.5 Ų154.575%0.75377%0.771SS**  -156.5161.779.441.9-21.9000119.4
408S31.5Very low33.4Very low100 Ų100153.6 Ų153.670%0.69978%0.783SS**  trans23.9150.1146.568.50000126
409R28.9Very low33.4Very low241 Ų241155.3 Ų155.391%0.90978%0.784SS**  trans74.8151.1157.9-76.5178.9170.9-178-4.4116.4
410S30.9Very low33.3Very low90 Ų90154.9 Ų154.963%0.62979%0.786SS**  cis-166.4179.2-7.341.60000111.3
411M30.8Very low33.2Very low165 Ų165154.6 Ų154.681%0.81378%0.78SS**  trans78.8151.8175.1-51.1-54.5-17600116.1
412S32.7Very low33.2Very low105 Ų105147.6 Ų147.673%0.73477%0.769SS**  cis148.5117.6-27.2-850000108.6
413K36.1Very low33.1Very low200 Ų200147.8 Ų147.887%0.8777%0.77SS**  trans-172.2152.9150.1-114.6173.3-179.2-178.40112.6
414E31.8Very low33.1Very low166 Ų166146.4 Ų146.478%0.77676%0.763SS**  trans-96.2165.8-167.6-40.895.3109.600114.9
415R34.1Very low33.1Very low258 Ų258150.5 Ų150.597%0.97476%0.764SS**  trans-152.6162134.1-121.2173.9177-114.8-3.5110.9
416E36.3Very low33.3Very low153 Ų153145.4 Ų145.472%0.71575%0.751SS**  trans-125.3176.2-149.5-113.9-75.8166.600114.2
417H34.2Very low33.1Very low166 Ų166144 Ų14477%0.76974%0.741SS**  trans78.9146.4164.9-59.9-15000117.9
418A34.5Very low32.9Very low96 Ų96149.3 Ų149.379%0.79375%0.746SS**  cis-174.6168.4-10.600000108.3
419K33.6Very low32.9Very low169 Ų169147.5 Ų147.574%0.73574%0.744SS**  cis-152.7-176.4-12.8167.8163.1-179.6-68.30107E421K419-E421 IonicContact NZ-OE2 3.14Å; K419-E421 PolarHBondContact NZ-OE2 2.65Å
420S34.2Very low33.3Very low101 Ų101144.5 Ų144.571%0.70674%0.74SS**  trans84113.8166.170.10000115.1
421E31Very low33.6Very low139 Ų139144.1 Ų144.165%0.6574%0.737SS**  86.2107.662.2-77.716595.800111.1K419K419-E421 IonicContact NZ-OE2 3.14Å; K419-E421 PolarHBondContact NZ-OE2 2.65Å
422S32.5Very low34.1Very low100 Ų100144 Ų14470%0.69974%0.735SS**  82.2140.969.8710000112.9
423S31.9Very low34.4Very low96 Ų96145.5 Ų145.567%0.67174%0.735SS**  cis-173.7159.1-337.50000112.4
424Q32.1Very low34.5Very low159 Ų159140.5 Ų140.574%0.74373%0.73SS**  trans67.5138.4146.6-81.5-175.2-17.900123.6
425R31.9Very low34.6Very low184 Ų184135.5 Ų135.569%0.69472%0.723SS**  trans70.3154.8138.3-73.6174.3159-112.4-7.8118.5
426E34.1Very low34.9Very low135 Ų135129.6 Ų129.663%0.63172%0.716SS**  cis-150.5-177.9-1.9-136.5159.1149.900115.4
427S32.2Very low34.9Very low86 Ų86128.3 Ų128.360%0.60171%0.714SS**  trans-36.3171.4167.365.10000118.7
428R35.8Very low34.9Very low226 Ų226128 Ų12885%0.85371%0.713SS**  cis-146.8176.124.8-64179.5-179.8-173-0.1109.7
429G31.8Very low34.9Very low63 Ų63131.4 Ų131.465%0.64971%0.713SS**  cis159.4172.7-5.400000111.7
430E37.3Very low35Very low177 Ų177129 Ų12983%0.82771%0.712SS**  trans67.6144.4159.4-70.5162.1110.200119.6
431S36.5Very low35Very low83 Ų83134.4 Ų134.458%0.5872%0.717SS**  cis-157.1169.4-14.662.80000113.2
432E41.2Very low35.1Very low163 Ų163133 Ų13376%0.76272%0.722SS**  trans72.7144.4145.5-79.6165.3-9600122.4
433N39.2Very low35.1Very low136 Ų136139.7 Ų139.773%0.72773%0.732SS**  cis-154.9162.3-11.8-148.2-23.4000112.8
434A37.6Very low35.2Very low94 Ų94140.4 Ų140.478%0.77774%0.738SS**  trans54.5136.8158.500000121.4
435G34.3Very low35.3Very low61 Ų61144.1 Ų144.163%0.62975%0.745SS**  cis156.8143.6-12.500000115
436T40.1Very low35.3Very low135 Ų135140.3 Ų140.383%0.82875%0.746SS**  trans60.8146.2154.245.90000120.2
437N36.5Very low35.2Very low126 Ų126141.1 Ų141.167%0.67476%0.755SS**  cis-151.1171.7-1.2-137.2-13.7000114.6
438Q33.7Very low35.2Very low159 Ų159142.4 Ų142.474%0.74376%0.764SS**  trans-21.6137166.4-66.3152.82.400116.8
439E36.2Very low35.4Very low168 Ų168140.9 Ų140.979%0.78576%0.764SS**  70.8119.955.7-175178.7149.500114.9
440T35.3Very low35.4Very low117 Ų117143.9 Ų143.972%0.71877%0.774SS**  -175.7138.4125.423.60000115.8
441R33.3Very low35.6Very low216 Ų216144.4 Ų144.482%0.81577%0.774SS**  trans64.897.1138.4-68.4171.5175.1-175.2-1.6123.7
442S33.5Very low36.3Very low109 Ų109146.7 Ų146.776%0.76279%0.787SS**  73.2154106.3-52.50000124.2
443R32.8Very low36Very low240 Ų240146.4 Ų146.491%0.90679%0.79SS**  trans91.387.1155.7-70.5175.3177.4169.9-1.4120.8
444S34.8Very low36Very low112 Ų112147.7 Ų147.778%0.78380%0.796SS**  trans-1.6133130.3-30.10000120.2
445R32.3Very low36.7Very low236 Ų236148.3 Ų148.389%0.89179%0.792SS**  179119.9114.4-101.5174174.5176.3-2.2116.4
446S33.4Very low36.8Very low104 Ų104150.4 Ų150.473%0.72780%0.797SS**  trans32.3125.2135.5610000124.3
447N31Very low36.6Very low153 Ų153152.3 Ų152.382%0.81880%0.797SS**  78.3117.6125.2-174.555.6000122
448S32.9Very low36.5Very low113 Ų113150.6 Ų150.679%0.7980%0.795SS**  trans-172.3167.5132.647.40000112.5
449K39.6Very low36.6Very low194 Ų194154 Ų15484%0.84380%0.801SS**  trans-108.1154.1174.5-64171.6179.11700110.3
450S32.4Very low36.7Very low125 Ų125151 Ų15187%0.87480%0.799SS**  176.6165.3124.5-82.20000113.8
451K40.5Very low37Very low189 Ų189156.5 Ų156.582%0.82281%0.806SS**  trans-109.3165.2163.9-67-173.2176.2-172.40109.5
452P51.6Low37.2Very low131 Ų131151.8 Ų151.885%0.85181%0.806SS**  -136.8-153.8114.338-25.4000114
453N34.4Very low37.6Very low156 Ų156156.1 Ų156.183%0.83481%0.812SS**  trans-121.2178.9-159.3-88.6-29.3000115.2
454L39.3Very low37.7Very low163 Ų163150.5 Ų150.585%0.85381%0.809SS**  trans-69.3161.3178.1-54.4162.2000116.2
455P51.8Low38.1Very low107 Ų107150 Ų15070%0.69581%0.812SS**  trans-92.9134.3137.732.3-23.7000111.1
456S38.3Very low38.3Very low105 Ų105144.8 Ų144.873%0.73481%0.811SS**  57.8140.679.873.60000115
457E35.5Very low38.8Very low176 Ų176149.5 Ų149.582%0.82282%0.819SS**  cis-159.7168.6-10.6-119-167.594.100107.2
458S34.6Very low39.1Very low90 Ų90149.3 Ų149.363%0.62982%0.823SS**  -178.7155.555.6610000113.4
459R34.8Very low39.5Very low230 Ų230155.5 Ų155.587%0.86883%0.829SS**  trans57.4151.8144.5-71175-178.7-164.7-1.1123.4
460S38.5Very low39.2Very low105 Ų105152 Ų15273%0.73483%0.829SS**  cis178.6158.3-34.847.70000112.6
461R41.4Very low39.7Very low233 Ų233158 Ų15888%0.87983%0.832SS**  cis-175.145.6-30.5-156.1174.1-179.5177.80.2114.8
462S37Very low39.4Very low117 Ų117154.8 Ų154.882%0.81883%0.834SS**  trans-93.1118.6176.936.10000112.3
463K42.6Very low39.1Very low200 Ų200158.5 Ų158.587%0.8784%0.837SS**  68.2134.763.9-67.9-176.4178179.10112.3
464S35.1Very low39.2Very low122 Ų122156.6 Ų156.685%0.85384%0.836SS**  cis-135.5174.629.5600000115.1
465A43.3Very low39.5Very low102 Ų102161 Ų16184%0.84384%0.841SS**  trans-150.2148.9172.400000110.4
466S37.3Very low38.7Very low125 Ų125161.1 Ų161.187%0.87485%0.845SS**  trans-151.9145.516561.60000111
467K42.6Very low38.8Very low204 Ų204168 Ų16889%0.88785%0.854SS**  trans-153.6110.8-176.2179.1-178.8-177.5177.20108.6
468T38Very low38.9Very low148 Ų148165.2 Ų165.291%0.90885%0.854SS**  trans-126.4160.3175.653.70000111.2
469R41Very low39.2Very low244 Ų244165.2 Ų165.292%0.92186%0.86SS**  trans-147.2117.8-168162.3-177.5165.2-103.78.6108.2
470S34.3Very low39.3Very low121 Ų121159.9 Ų159.985%0.84686%0.858SS**  trans-138157.3175.352.70000110.9
471R42.8Very low39.2Very low249 Ų249166.4 Ų166.494%0.9487%0.866SS**  trans-153.6113.4-168.2171.8-165.3177.5-156.43.2109
472S34.6Very low39.3Very low122 Ų122160.4 Ų160.485%0.85386%0.86SS**  trans-150.8167.9178.643.80000111.7
473K45.3Very low40Very low209 Ų209160.4 Ų160.491%0.90986%0.857SS**  trans-120135.9-170.7-59.4170.7179.6171.40112
474S35.6Very low39.8Very low117 Ų117155.6 Ų155.682%0.81885%0.849SS**  trans-176.3143.4152.446.70000107.8
475R44.5Very low40Very low256 Ų256162 Ų16297%0.96685%0.854SS**  cis91.750.8-3.4-139.1-173.1-164.3-142.14.9120.3
476S36.3Very low40Very low109 Ų109162.2 Ų162.276%0.76285%0.85SS**  trans-138.6148.3146.244.50000108.1
477R40.5Very low40.2Very low250 Ų250168 Ų16894%0.94385%0.853SS**  cis8880.126.9-84-165.8164.6-169.3-3.3116.7
478S38.1Very low40.3Very low117 Ų117163.8 Ų163.882%0.81885%0.848SS**  trans-157.8128.2144.939.10000106.5
479A39.5Very low40.6Very low90 Ų90167.8 Ų167.874%0.74485%0.847SS**  cis89.1139.416.500000115.5
480S36.7Very low41Very low118 Ų118161.4 Ų161.483%0.82584%0.84SS**  trans71142.9-166.685.80000114.5
481R37.4Very low41.6Very low242 Ų242164.2 Ų164.291%0.91384%0.839SS**  cis-154.8139.1-11.7-133.3175.2179.3-176.6-1.5110.2
482S44Very low41.8Very low106 Ų106157.1 Ų157.174%0.74183%0.828SS**  trans-74.5168.4161-45.50000110.2
483P51.6Low42.7Very low118 Ų118162.6 Ų162.677%0.76683%0.83SS**  -141.2148.2101.638.9-27.4000116.1
484S37.7Very low42.9Very low99 Ų99161.9 Ų161.969%0.69285%0.851SS**  trans22.2123.3149.561.10000121.1
485R40.1Very low43.2Very low255 Ų255164.2 Ų164.296%0.96285%0.853SS**  -145.9101.1112.3-122.1179.7-174-153.12112.3
486S41.4Very low43.2Very low108 Ų108159.3 Ų159.376%0.75585%0.847SS**  trans-82.6138.316246.60000109.6
487R42.3Very low43.5Very low247 Ų247162.1 Ų162.193%0.93285%0.851SS**  trans-163.4102142.7-113.8173.4-172.6-166.61.6110.5
488S43.9Very low43.7Very low114 Ų114156.9 Ų156.980%0.79785%0.846SS**  trans-66.9143.8155.244.10000109.4
489R46.1Very low44.1Very low233 Ų233159.4 Ų159.488%0.87985%0.848SS**  trans-159.1104.6145.3-114.7175.4-172.9-165.8-0.3109.7
490S48.5Very low44.4Very low110 Ų110164.1 Ų164.177%0.76985%0.854SS**  trans-62.9144.4148.542.60000108.7
491H46.1Very low44.9Very low180 Ų180167.4 Ų167.483%0.83386%0.857SS**  trans-145.2145.2150.6-111.853.1000109
492S46.8Very low45.5Very low100 Ų100161.6 Ų161.670%0.69985%0.852SS**  trans-116.1175176.653.90000109.2
493R54.5Low45.6Very low237 Ų237166.3 Ų166.389%0.89486%0.861SS**  trans77.7150-172.6-52177.5175-172.2-3.8112.9
494S48.8Very low45.1Very low194 Ų194170.6 Ų170.6100%1.35787%0.87SS**  cis-111.406.3-62.70000113.1

Retrieved 494 of 494 residues in 208.2 ms (Link to these results)

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