A0A087XKV2_POEFO Loading...

Serine and arginine rich splicing factor 6a

AlphaFold DB , UniProt , Accession A0A087XKV2, Species POEFO (Poecilia formosa, Amazon molly), Gene SRSF6, Length 381 aa.

Structure Viewer
Loading PAE data...
(Predicted Aligned Error values between residue pairs)
Error loading PAE data: please refresh the page.

 

Download Structure   PDB   PAE   Table  
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
1M61.1Low82.6Confident160 Ų16058.2 Ų58.279%0.78825%0.251SS*.  0155.40-67.37214200108.6R3 E41M1-R3 PolarHBondContact O-N 2.64Å; M1-E41 HydrophobicContact CB-CG 3.68Å; M1-E41 WeakPolarHBondContact CB-OE1 3.13Å; M1-E41 WeakPolarHBondContact CG-OE1 3.26Å
2P78.9Confident82.4Confident20 Ų2065.8 Ų65.813%0.1329%0.288CS..  trans-75.6103.617629.7-32.5000110.6F42 D44 N45 A48P2-F42 HydrophobicContact CG-CB 4.06Å; P2-F42 WeakPolarHBondContact CG-O 3.36Å; P2-F42 PolarHBondContact O-N 3.18Å; P2-D44 VanDerWaalsContact CG-O 3.28Å; P2-D44 WeakPolarHBondContact CG-O 3.08Å; P2-N45 HydrophobicContact CB-CB 4.1Å; P2-N45 HydrophobicContact CG-CB 4.37Å; P2-A48 HydrophobicContact CB-CB 3.9Å
3R84.8Confident82.5Confident61 Ų6161.8 Ų61.823%0.2327%0.273CS..EExtended strand (participates in β ladder)trans-105130177.2-162.1179.2-157.4-137.33.6109.9M1 D32 F39 V40 A70M1-R3 PolarHBondContact O-N 2.64Å; R3-D32 IonicContact CZ-OD2 3.75Å; R3-D32 IonicContact NH2-OD2 3.84Å; R3-D32 PolarHBondContact NH2-OD2 3.42Å; R3-F39 HydrophobicContact CG-CB 4.28Å; R3-F39 VanDerWaalsContact CZ-CB 3.4Å; R3-V40 CarbonylContact C-O 3.56Å; R3-V40 WeakPolarHBondContact CA-O 3.23Å; R3-A70 HydrophobicContact CB-CB 4.06Å; R3-A70 HydrophobicContact CG-CB 4.07Å; R3-A70 WeakPolarHBondContact O-CB 3.34Å; R3-A70 PolarHBondContact O-N 2.82Å
4V89.4Confident82.8Confident0 Ų069.9 Ų69.90%030%0.3CS..EExtended strand (participates in β ladder)trans-103.8138.9175.6174.50000108.5I6 F39 V40 F42 A48 V52 V67 E68V4-I6 HydrophobicContact CG1-CG1 4.48Å; V4-F39 CarbonylContact O-C 3.54Å; V4-F39 WeakPolarHBondContact O-CA 3.44Å; V4-V40 PolarHBondContact N-O 3.26Å; V4-V40 PolarHBondContact O-N 2.7Å; V4-F42 HydrophobicContact CB-CE2 4.01Å; V4-F42 HydrophobicContact CG2-CD2 3.88Å; V4-F42 HydrophobicContact CG2-CE2 3.56Å; V4-A48 HydrophobicContact CG2-CB 3.83Å; V4-V52 HydrophobicContact CG1-CG2 3.93Å; V4-V52 HydrophobicContact CG2-CG2 3.83Å; V4-V67 HydrophobicContact CG1-CG1 3.37Å; V4-E68 CarbonylContact C-O 3.59Å; V4-E68 WeakPolarHBondContact CA-O 3.4Å
5Y90.1Very high83Confident69 Ų6972.7 Ų72.727%0.27132%0.315SS..EExtended strand (participates in β ladder)trans-98.9140.8170.1167-105.5000109.1G7 Y37 F39 V67 E68Y5-G7 WeakPolarHBondContact OH-CA 3.49Å; Y5-Y37 AromaticContact CE2-CD2 3.78Å; Y5-Y37 HydrophobicContact CE2-CD2 3.78Å; Y5-Y37 HydrophobicContact CE2-CG 4.08Å; Y5-F39 AromaticContact CD2-CD1 4Å; Y5-F39 HydrophobicContact CD2-CD1 4Å; Y5-F39 AromaticContact CD2-CE1 3.59Å; Y5-F39 HydrophobicContact CD2-CE1 3.59Å; Y5-F39 HydrophobicContact CD2-CZ 4.02Å; Y5-F39 HydrophobicContact CG-CE1 4.29Å; Y5-V67 WeakPolarHBondContact O-CA 2.95Å; Y5-E68 HydrophobicContact CD1-CB 4.49Å; Y5-E68 PolarHBondContact N-O 3.25Å; Y5-E68 PolarHBondContact O-N 3.2Å
6I89.3Confident83.2Confident0 Ų077.6 Ų77.60%034%0.336CS..EExtended strand (participates in β ladder)trans-125.8102.2177.8-47.2159.2000107.9V4 L9 I18 F22 Y37 G38 V40 V65 I66 V67V4-I6 HydrophobicContact CG1-CG1 4.48Å; I6-L9 HydrophobicContact CB-CD1 4.48Å; I6-L9 HydrophobicContact CB-CD2 4.47Å; I6-L9 HydrophobicContact CG2-CD1 4.36Å; I6-L9 HydrophobicContact CG2-CD2 3.53Å; I6-L9 HydrophobicContact CG2-CG 3.95Å; I6-I18 HydrophobicContact CD1-CD1 4Å; I6-I18 HydrophobicContact CD1-CG2 4.12Å; I6-F22 HydrophobicContact CD1-CD2 4.45Å; I6-F22 HydrophobicContact CD1-CE2 3.38Å; I6-F22 HydrophobicContact CD1-CZ 3.67Å; I6-F22 HydrophobicContact CG1-CE2 4.11Å; I6-F22 HydrophobicContact CG1-CZ 3.88Å; I6-Y37 CarbonylContact O-C 3.54Å; I6-Y37 WeakPolarHBondContact O-CA 3.41Å; I6-Y37 WeakPolarHBondContact O-CB 3.31Å; I6-G38 PolarHBondContact N-O 2.58Å; I6-G38 PolarHBondContact O-N 3.3Å; I6-V40 HydrophobicContact CD1-CB 4.41Å; I6-V40 HydrophobicContact CD1-CG2 3.6Å; I6-V65 HydrophobicContact CG2-CB 4.1Å; I6-I66 CarbonylContact C-O 3.54Å; I6-I66 VanDerWaalsContact CA-O 3.26Å; I6-I66 WeakPolarHBondContact CA-O 3.38Å; I6-V67 HydrophobicContact CG2-CG2 4.42Å
7G86.7Confident83.5Confident2 Ų276.4 Ų76.42%0.02133%0.334CS..EExtended strand (participates in β ladder)trans-89164.417300000112.3Y5 L9 I66Y5-G7 WeakPolarHBondContact OH-CA 3.49Å; G7-L9 PolarHBondContact O-N 3.09Å; G7-I66 PolarHBondContact N-O 3.19Å; G7-I66 PolarHBondContact O-N 3.26Å
8R84.1Confident83.7Confident130 Ų13072.1 Ų72.149%0.49132%0.316SS..  trans58.843.3177.3-60.2-164.162.3-176.1-7.1114G36 E63 R64 I66R8-G36 PolarHBondContact N-O 3.39Å; R8-G36 VanDerWaalsContact N-O 3.14Å; R8-E63 IonicContact CZ-OE2 3.94Å; R8-E63 IonicContact NE-OE2 2.58Å; R8-E63 IonicContact NH2-OE2 2.78Å; R8-E63 PolarHBondContact NH2-OE2 3.08Å; R8-R64 WeakPolarHBondContact CB-O 3.33Å; R8-I66 HydrophobicContact CG-CD1 3.95Å; R8-I66 HydrophobicContact CG-CG1 4.22Å
9L84.7Confident83.8Confident6 Ų673.9 Ų73.93%0.03133%0.325CS..  trans-77.4125.2169-67.1180000110.1I6 G7 V13 I18 L33 G36 V65I6-L9 HydrophobicContact CB-CD1 4.48Å; I6-L9 HydrophobicContact CB-CD2 4.47Å; I6-L9 HydrophobicContact CG2-CD1 4.36Å; I6-L9 HydrophobicContact CG2-CD2 3.53Å; I6-L9 HydrophobicContact CG2-CG 3.95Å; G7-L9 PolarHBondContact O-N 3.09Å; L9-V13 HydrophobicContact CD2-CG1 4.17Å; L9-V13 HydrophobicContact CD2-CG2 4.46Å; L9-I18 HydrophobicContact CD1-CD1 3.81Å; L9-I18 HydrophobicContact CD2-CD1 4.42Å; L9-L33 HydrophobicContact CD1-CD2 3.46Å; L9-L33 VanDerWaalsContact CD1-CD2 3.46Å; L9-G36 PolarHBondContact N-O 2.82Å; L9-G36 WeakPolarHBondContact O-CA 3.41Å; L9-V65 HydrophobicContact CD2-CG1 3.76Å
10S80.2Confident83.9Confident16 Ų1680.8 Ų80.811%0.11235%0.349CS..  trans-56141.7166.8171.70000110H12 V13S10-H12 PolarHBondContact O-N 3.19Å; S10-H12 PolarHBondContact OG-ND1 2.98Å; S10-V13 WeakPolarHBondContact O-CB 3.47Å; S10-V13 WeakPolarHBondContact O-CG2 3.42Å; S10-V13 PolarHBondContact O-N 2.91Å
11Y79.6Confident83.9Confident176 Ų17678.8 Ų78.869%0.6934%0.341SS*.THydrogen-bonded Turntrans-57.6-14.6-177.6-105.1-93.5000114.6N35Y11-N35 HydrophobicContact CE1-CB 4.03Å; Y11-N35 WeakPolarHBondContact CE1-ND2 3.31Å; Y11-N35 PolarHBondContact OH-ND2 2.87Å
12H80.3Confident85.1Confident150 Ų15071.2 Ų71.269%0.69430%0.303SS*.THydrogen-bonded Turntrans-90.9-9.2179.3-53.693.9000113.7S10 R14S10-H12 PolarHBondContact O-N 3.19Å; S10-H12 PolarHBondContact OG-ND1 2.98Å; H12-R14 PolarHBondContact O-N 3.32Å
13V83.2Confident85.2Confident14 Ų1474.3 Ų74.39%0.08533%0.325CS..  trans-70.3126.8-179.5178.20000110.5L9 S10 D17 I18 L60 C61L9-V13 HydrophobicContact CD2-CG1 4.17Å; L9-V13 HydrophobicContact CD2-CG2 4.46Å; S10-V13 WeakPolarHBondContact O-CB 3.47Å; S10-V13 WeakPolarHBondContact O-CG2 3.42Å; S10-V13 PolarHBondContact O-N 2.91Å; V13-D17 HydrophobicContact CG1-CB 4.28Å; V13-I18 HydrophobicContact CG1-CD1 4.14Å; V13-I18 HydrophobicContact CG1-CG1 3.72Å; V13-L60 HydrophobicContact CG1-CD2 4.43Å; V13-L60 HydrophobicContact CG2-CD2 4.13Å; V13-C61 HydrophobicContact CG2-CB 3.78Å
14R86.4Confident84.9Confident174 Ų17474.8 Ų74.866%0.65735%0.35SS*.  trans-110.9168.3177.6-52176.467.2-1793.4110.9H12 K16 D17 I18 L33H12-R14 PolarHBondContact O-N 3.32Å; R14-K16 PolarHBondContact O-N 2.91Å; R14-D17 WeakPolarHBondContact CA-OD2 3.27Å; R14-D17 VanDerWaalsContact CB-OD2 3.28Å; R14-D17 WeakPolarHBondContact CB-OD2 3.21Å; R14-D17 PolarHBondContact N-OD2 3.31Å; R14-D17 WeakPolarHBondContact O-CB 3.47Å; R14-D17 PolarHBondContact O-N 2.8Å; R14-I18 PolarHBondContact O-N 2.71Å; R14-L33 VanDerWaalsContact C-CD1 3.46Å
15E85.7Confident84.5Confident112 Ų11277.4 Ų77.452%0.52336%0.36SS..Hα-helixtrans-53.6-39.2178.9-169.5-173.1169.600112.2D17 I18 Q19 I31 L33E15-D17 VanDerWaalsContact C-N 3.33Å; E15-D17 PolarHBondContact O-N 3.38Å; E15-I18 PolarHBondContact O-N 2.77Å; E15-Q19 VanDerWaalsContact O-CB 3.28Å; E15-Q19 WeakPolarHBondContact O-CB 3.18Å; E15-Q19 PolarHBondContact O-N 3.3Å; E15-I31 HydrophobicContact CG-CB 4.03Å; E15-I31 HydrophobicContact CG-CD1 3.95Å; E15-I31 HydrophobicContact CG-CG2 3.97Å; E15-L33 HydrophobicContact CB-CD1 4.07Å
16K87.4Confident84Confident151 Ų15175.1 Ų75.166%0.65736%0.357SS*.Hα-helixtrans-65.3-33177.4-61-170.4178.5-171.50113.5R14 R20R14-K16 PolarHBondContact O-N 2.91Å; K16-R20 WeakPolarHBondContact O-CB 3.24Å; K16-R20 PolarHBondContact O-N 3Å
17D87.6Confident83.6Confident57 Ų5781.2 Ų81.231%0.30538%0.384SS..Hα-helixtrans-75.2-41.8-179.2-51.9-57.6000110V13 R14 E15 R20 F21V13-D17 HydrophobicContact CG1-CB 4.28Å; R14-D17 WeakPolarHBondContact CA-OD2 3.27Å; R14-D17 VanDerWaalsContact CB-OD2 3.28Å; R14-D17 WeakPolarHBondContact CB-OD2 3.21Å; R14-D17 PolarHBondContact N-OD2 3.31Å; R14-D17 WeakPolarHBondContact O-CB 3.47Å; R14-D17 PolarHBondContact O-N 2.8Å; E15-D17 VanDerWaalsContact C-N 3.33Å; E15-D17 PolarHBondContact O-N 3.38Å; D17-R20 PolarHBondContact O-N 3.08Å; D17-F21 WeakPolarHBondContact O-CB 3.34Å; D17-F21 PolarHBondContact O-N 3.4Å
18I86.4Confident83.5Confident0 Ų083.2 Ų83.20%039%0.394CS..Hα-helixtrans-60.2-49.6168.3-69.7-173.2000110.4I6 L9 V13 R14 E15 R20 F21 F22 I31 L33 V40I6-I18 HydrophobicContact CD1-CD1 4Å; I6-I18 HydrophobicContact CD1-CG2 4.12Å; L9-I18 HydrophobicContact CD1-CD1 3.81Å; L9-I18 HydrophobicContact CD2-CD1 4.42Å; V13-I18 HydrophobicContact CG1-CD1 4.14Å; V13-I18 HydrophobicContact CG1-CG1 3.72Å; R14-I18 PolarHBondContact O-N 2.71Å; E15-I18 PolarHBondContact O-N 2.77Å; I18-R20 VanDerWaalsContact C-N 3.28Å; I18-R20 PolarHBondContact O-N 2.92Å; I18-F21 PolarHBondContact O-N 2.88Å; I18-F21 VanDerWaalsContact O-N 3.08Å; I18-F22 HydrophobicContact CG2-CD2 3.66Å; I18-F22 HydrophobicContact CG2-CE2 3.9Å; I18-F22 WeakPolarHBondContact O-CD2 3.39Å; I18-F22 PolarHBondContact O-N 3.09Å; I18-I31 HydrophobicContact CG2-CD1 4.42Å; I18-I31 HydrophobicContact CG2-CG2 4.07Å; I18-L33 HydrophobicContact CD1-CD1 4.02Å; I18-L33 HydrophobicContact CD1-CD2 3.58Å; I18-L33 HydrophobicContact CD1-CG 3.82Å; I18-V40 HydrophobicContact CG2-CG2 3.62Å
19Q86.4Confident83.6Confident107 Ų10782.7 Ų82.750%0.540%0.398SS..Hα-helixtrans-55.1-45.4179-170-174.36.200111E15 S23 L28 I31E15-Q19 VanDerWaalsContact O-CB 3.28Å; E15-Q19 WeakPolarHBondContact O-CB 3.18Å; E15-Q19 PolarHBondContact O-N 3.3Å; Q19-S23 WeakPolarHBondContact O-CA 3.14Å; Q19-S23 WeakPolarHBondContact O-CB 3.26Å; Q19-S23 PolarHBondContact O-N 3.28Å; Q19-L28 HydrophobicContact CB-CD1 4.23Å; Q19-L28 HydrophobicContact CG-CD1 3.83Å; Q19-I31 HydrophobicContact CB-CD1 4.17Å
20R84.9Confident83.4Confident210 Ų21086.1 Ų86.179%0.79241%0.414SS*.Hα-helixtrans-66.8-38.9176.2179.8172.3171.5-97.6-2.5113.2K16 D17 I18K16-R20 WeakPolarHBondContact O-CB 3.24Å; K16-R20 PolarHBondContact O-N 3Å; D17-R20 PolarHBondContact O-N 3.08Å; I18-R20 VanDerWaalsContact C-N 3.28Å; I18-R20 PolarHBondContact O-N 2.92Å
21F84.9Confident83.8Confident40 Ų4087 Ų8718%0.17542%0.417CS..Hα-helixtrans-67.5-39.2180-178.2-104.9000112.4D17 I18 L55 K58 L60 V65D17-F21 WeakPolarHBondContact O-CB 3.34Å; D17-F21 PolarHBondContact O-N 3.4Å; I18-F21 PolarHBondContact O-N 2.88Å; I18-F21 VanDerWaalsContact O-N 3.08Å; F21-L55 HydrophobicContact CD1-CD1 3.98Å; F21-L55 HydrophobicContact CD1-CD2 4.24Å; F21-L55 HydrophobicContact CE1-CB 3.7Å; F21-L55 HydrophobicContact CE1-CD1 3.89Å; F21-L55 HydrophobicContact CE1-CD2 3.85Å; F21-L55 HydrophobicContact CE1-CG 4.03Å; F21-L55 HydrophobicContact CE2-CD2 4.12Å; F21-L55 HydrophobicContact CZ-CB 3.97Å; F21-L55 HydrophobicContact CZ-CD2 3.79Å; F21-L55 HydrophobicContact CZ-CG 4.35Å; F21-K58 HydrophobicContact CE2-CB 4.01Å; F21-K58 HydrophobicContact CE2-CD 4.39Å; F21-K58 HydrophobicContact CZ-CB 3.88Å; F21-L60 HydrophobicContact CB-CD1 4.18Å; F21-L60 HydrophobicContact CD1-CD1 3.62Å; F21-L60 HydrophobicContact CD2-CD1 3.76Å; F21-L60 HydrophobicContact CD2-CG 3.75Å; F21-L60 HydrophobicContact CE1-CD1 3.72Å; F21-L60 HydrophobicContact CE2-CB 4.32Å; F21-L60 HydrophobicContact CE2-CD1 3.86Å; F21-L60 HydrophobicContact CE2-CG 3.81Å; F21-L60 HydrophobicContact CG-CD1 3.62Å; F21-L60 HydrophobicContact CG-CG 4.11Å; F21-L60 HydrophobicContact CZ-CD1 3.83Å; F21-L60 HydrophobicContact CZ-CG 4.21Å; F21-V65 HydrophobicContact CE1-CG2 4.03Å; F21-V65 HydrophobicContact CZ-CG2 3.76Å
22F85.1Confident84.2Confident0 Ų080.5 Ų80.50%039%0.394CS..Hα-helixtrans-89.8-10.5176.3-69.5-83.6000114.4I6 I18 G24 Y25 L28 V40 F42 A51 L55 V67I6-F22 HydrophobicContact CD1-CD2 4.45Å; I6-F22 HydrophobicContact CD1-CE2 3.38Å; I6-F22 HydrophobicContact CD1-CZ 3.67Å; I6-F22 HydrophobicContact CG1-CE2 4.11Å; I6-F22 HydrophobicContact CG1-CZ 3.88Å; I18-F22 HydrophobicContact CG2-CD2 3.66Å; I18-F22 HydrophobicContact CG2-CE2 3.9Å; I18-F22 WeakPolarHBondContact O-CD2 3.39Å; I18-F22 PolarHBondContact O-N 3.09Å; F22-G24 PolarHBondContact O-N 3.02Å; F22-Y25 PolarHBondContact O-N 3.34Å; F22-L28 HydrophobicContact CB-CD1 4.18Å; F22-L28 HydrophobicContact CB-CD2 3.74Å; F22-L28 HydrophobicContact CB-CG 4.46Å; F22-L28 HydrophobicContact CG-CD2 4.4Å; F22-V40 HydrophobicContact CD2-CG2 4.43Å; F22-V40 HydrophobicContact CE2-CG2 4.39Å; F22-F42 HydrophobicContact CB-CZ 4.45Å; F22-F42 HydrophobicContact CD1-CE1 4.48Å; F22-F42 HydrophobicContact CD1-CE2 4.43Å; F22-F42 AromaticContact CD1-CZ 3.6Å; F22-F42 HydrophobicContact CD1-CZ 3.6Å; F22-F42 HydrophobicContact CE1-CZ 4.18Å; F22-F42 HydrophobicContact CG-CZ 4.28Å; F22-A51 HydrophobicContact CD1-CB 3.96Å; F22-A51 HydrophobicContact CE1-CB 4.1Å; F22-L55 HydrophobicContact CD1-CD1 3.14Å; F22-L55 HydrophobicContact CE1-CB 4.42Å; F22-L55 HydrophobicContact CE1-CD1 3.22Å; F22-L55 HydrophobicContact CE1-CG 4.42Å; F22-L55 HydrophobicContact CG-CD1 3.91Å; F22-L55 HydrophobicContact CZ-CD1 3.98Å; F22-V67 HydrophobicContact CE1-CG1 4.22Å; F22-V67 HydrophobicContact CZ-CG1 4.2Å; F22-V67 HydrophobicContact CZ-CG2 4.48Å
23S81.4Confident84.5Confident85 Ų8576.1 Ų76.159%0.59438%0.376SS*.THydrogen-bonded Turntrans-58.2-14.3-177.4-174.20000115.4Q19Q19-S23 WeakPolarHBondContact O-CA 3.14Å; Q19-S23 WeakPolarHBondContact O-CB 3.26Å; Q19-S23 PolarHBondContact O-N 3.28Å
24G79.6Confident84.6Confident72 Ų7279.3 Ų79.374%0.74239%0.389SS*.THydrogen-bonded Turntrans-84.7-18.2175.600000114.8F22F22-G24 PolarHBondContact O-N 3.02Å
25Y79.4Confident84.3Confident54 Ų5476.5 Ų76.521%0.21239%0.386CS..THydrogen-bonded Turntrans-109-26.3-164.8-63.4-86.4000113.9F22 D47 A51 E54 L55 K58F22-Y25 PolarHBondContact O-N 3.34Å; Y25-D47 WeakPolarHBondContact O-CB 3.45Å; Y25-A51 HydrophobicContact CG-CB 4.17Å; Y25-E54 HydrophobicContact CE1-CB 3.55Å; Y25-E54 HydrophobicContact CE1-CG 4.04Å; Y25-E54 WeakPolarHBondContact CE1-OE2 3.37Å; Y25-E54 PolarHBondContact OH-OE2 3.27Å; Y25-L55 HydrophobicContact CD2-CD1 3.71Å; Y25-L55 HydrophobicContact CD2-CD2 4.32Å; Y25-L55 HydrophobicContact CD2-CG 4.21Å; Y25-L55 HydrophobicContact CE2-CD1 3.78Å; Y25-L55 HydrophobicContact CE2-CD2 3.53Å; Y25-L55 HydrophobicContact CE2-CG 3.81Å; Y25-L55 HydrophobicContact CG-CD1 4.38Å; Y25-K58 PolarHBondContact OH-NZ 3.33Å
26G79.7Confident84Confident21 Ų2172.4 Ų72.422%0.21638%0.375CS..  trans176.9-177.2-179.800000113.6D47G26-D47 WeakPolarHBondContact CA-OD2 3.24Å
27K81.6Confident84Confident129 Ų12969.6 Ų69.656%0.56136%0.36SS*.  trans-89.7136.7172.2-75169.6174.4174.70111.6F42 E43K27-F42 WeakPolarHBondContact O-CA 3.26Å; K27-E43 HydrophobicContact CB-CB 4.21Å; K27-E43 WeakPolarHBondContact CD-OE2 3.24Å; K27-E43 IonicContact NZ-OE1 3.54Å; K27-E43 IonicContact NZ-OE2 2.85Å; K27-E43 PolarHBondContact NZ-OE2 2.69Å; K27-E43 PolarHBondContact O-N 2.92Å; K27-E43 VanDerWaalsContact O-N 3.09Å
28L85.8Confident84.1Confident44 Ų4466.9 Ų66.923%0.2335%0.346CS..EExtended strand (participates in β ladder)trans-96.3122.8-177.8-55.7162.1000108.3Q19 F22 I31 V40 F42Q19-L28 HydrophobicContact CB-CD1 4.23Å; Q19-L28 HydrophobicContact CG-CD1 3.83Å; F22-L28 HydrophobicContact CB-CD1 4.18Å; F22-L28 HydrophobicContact CB-CD2 3.74Å; F22-L28 HydrophobicContact CB-CG 4.46Å; F22-L28 HydrophobicContact CG-CD2 4.4Å; L28-I31 HydrophobicContact CD1-CD1 4.26Å; L28-V40 HydrophobicContact CD2-CG1 3.24Å; L28-F42 HydrophobicContact CD2-CE1 4.1Å; L28-F42 HydrophobicContact CD2-CZ 4.15Å
29M84.8Confident84.3Confident119 Ų11968.9 Ų68.959%0.58636%0.355SS*.EExtended strand (participates in β ladder)trans-90.9-41.7177.5-68.4-166.568.800112.5E41 E43M29-E41 PolarHBondContact N-O 3.44Å; M29-E43 HydrophobicContact CG-CB 4.36Å
30E81.9Confident84.5Confident77 Ų7763.8 Ų63.836%0.3633%0.331SS..EExtended strand (participates in β ladder)trans-147.7137.4-175.1-165.5-176.312900109.3V40 E41 R74E30-V40 CarbonylContact O-C 3.53Å; E30-V40 WeakPolarHBondContact O-CA 3.44Å; E30-E41 HydrophobicContact CB-CB 4.14Å; E30-E41 PolarHBondContact O-N 3.25Å; E30-R74 IonicContact OE1-NH1 3.1Å; E30-R74 IonicContact OE2-CZ 2.93Å; E30-R74 VanDerWaalsContact OE2-CZ 3.27Å; E30-R74 IonicContact OE2-NH1 2.72Å; E30-R74 PolarHBondContact OE2-NH1 2.86Å; E30-R74 IonicContact OE2-NH2 3.27Å; E30-R74 PolarHBondContact OE2-NH2 2.72Å
31I87.9Confident84.6Confident34 Ų3454 Ų5417%0.17430%0.295CS..EExtended strand (participates in β ladder)trans-125.8114.2175.9-53177.1000108.2E15 I18 Q19 L28 L33 V40E15-I31 HydrophobicContact CG-CB 4.03Å; E15-I31 HydrophobicContact CG-CD1 3.95Å; E15-I31 HydrophobicContact CG-CG2 3.97Å; I18-I31 HydrophobicContact CG2-CD1 4.42Å; I18-I31 HydrophobicContact CG2-CG2 4.07Å; Q19-I31 HydrophobicContact CB-CD1 4.17Å; L28-I31 HydrophobicContact CD1-CD1 4.26Å; I31-L33 HydrophobicContact CG2-CG 4.46Å; I31-V40 HydrophobicContact CG1-CG2 4.39Å; I31-V40 HydrophobicContact CG2-CG2 4.27Å
32D87.2Confident84.8Confident41 Ų4152.1 Ų52.122%0.21929%0.286CS..EExtended strand (participates in β ladder)trans-112.787.8-176.1171.327.1000109.3R3 K34 G38 F39R3-D32 IonicContact CZ-OD2 3.75Å; R3-D32 IonicContact NH2-OD2 3.84Å; R3-D32 PolarHBondContact NH2-OD2 3.42Å; D32-K34 IonicContact OD1-NZ 3.2Å; D32-K34 PolarHBondContact OD1-NZ 2.9Å; D32-K34 IonicContact OD2-NZ 3.07Å; D32-K34 PolarHBondContact OD2-NZ 3.4Å; D32-G38 CarbonylContact O-C 3.56Å; D32-G38 VanDerWaalsContact O-CA 3.3Å; D32-G38 WeakPolarHBondContact O-CA 3.25Å; D32-F39 HydrophobicContact CB-CB 4.27Å; D32-F39 HydrophobicContact CB-CD2 4.48Å; D32-F39 PolarHBondContact N-O 2.83Å; D32-F39 PolarHBondContact O-N 2.77Å; D32-F39 WeakPolarHBondContact OD2-CD2 3.36Å
33L86.8Confident84.8Confident57 Ų5757.6 Ų57.630%0.29831%0.312SS..EExtended strand (participates in β ladder)trans-87136.3-177-102.9174.1000112.8L9 R14 E15 I18 I31L9-L33 HydrophobicContact CD1-CD2 3.46Å; L9-L33 VanDerWaalsContact CD1-CD2 3.46Å; R14-L33 VanDerWaalsContact C-CD1 3.46Å; E15-L33 HydrophobicContact CB-CD1 4.07Å; I18-L33 HydrophobicContact CD1-CD1 4.02Å; I18-L33 HydrophobicContact CD1-CD2 3.58Å; I18-L33 HydrophobicContact CD1-CG 3.82Å; I31-L33 HydrophobicContact CG2-CG 4.46Å
34K84.8Confident85.1Confident82 Ų8255.9 Ų55.936%0.35730%0.296SS..EExtended strand (participates in β ladder)trans-137.6168.8175.6-63.2-178170.265.50110.4D32 G36 Y37D32-K34 IonicContact OD1-NZ 3.2Å; D32-K34 PolarHBondContact OD1-NZ 2.9Å; D32-K34 IonicContact OD2-NZ 3.07Å; D32-K34 PolarHBondContact OD2-NZ 3.4Å; K34-G36 PolarHBondContact O-N 2.97Å; K34-G36 VanDerWaalsContact O-N 3.12Å; K34-Y37 CarbonylContact C-O 3.55Å; K34-Y37 VanDerWaalsContact CA-O 3.26Å; K34-Y37 WeakPolarHBondContact CA-O 3.49Å; K34-Y37 HydrophobicContact CB-CD1 4.44Å; K34-Y37 HydrophobicContact CB-CD2 4.36Å; K34-Y37 HydrophobicContact CB-CE1 4.11Å; K34-Y37 HydrophobicContact CB-CE2 4.05Å; K34-Y37 WeakPolarHBondContact CB-O 3.38Å; K34-Y37 HydrophobicContact CD-CE2 3.67Å; K34-Y37 WeakPolarHBondContact CD-OH 3.25Å; K34-Y37 HydrophobicContact CG-CE2 4.39Å; K34-Y37 PolarHBondContact N-O 3.32Å; K34-Y37 PolarHBondContact O-N 2.9Å
35N81.8Confident85.3Confident114 Ų11456.3 Ų56.361%0.6128%0.281SS*.THydrogen-bonded Turntrans-65114-178-62.633.4000110.7Y11 Y37Y11-N35 HydrophobicContact CE1-CB 4.03Å; Y11-N35 WeakPolarHBondContact CE1-ND2 3.31Å; Y11-N35 PolarHBondContact OH-ND2 2.87Å; N35-Y37 VanDerWaalsContact C-N 3.31Å; N35-Y37 WeakPolarHBondContact O-CD1 3.43Å; N35-Y37 PolarHBondContact O-N 3.03Å
36G77.9Confident85.7Confident27 Ų2761.6 Ų61.628%0.27830%0.301SS..THydrogen-bonded Turntrans83.5-9.1179.300000115.9R8 L9 K34R8-G36 PolarHBondContact N-O 3.39Å; R8-G36 VanDerWaalsContact N-O 3.14Å; L9-G36 PolarHBondContact N-O 2.82Å; L9-G36 WeakPolarHBondContact O-CA 3.41Å; K34-G36 PolarHBondContact O-N 2.97Å; K34-G36 VanDerWaalsContact O-N 3.12Å
37Y87.9Confident86Confident91 Ų9162.7 Ų62.736%0.35730%0.302SS..EExtended strand (participates in β ladder)trans-160.1154.9-179.867.8-81.7000112.7Y5 I6 K34 N35 F39Y5-Y37 AromaticContact CE2-CD2 3.78Å; Y5-Y37 HydrophobicContact CE2-CD2 3.78Å; Y5-Y37 HydrophobicContact CE2-CG 4.08Å; I6-Y37 CarbonylContact O-C 3.54Å; I6-Y37 WeakPolarHBondContact O-CA 3.41Å; I6-Y37 WeakPolarHBondContact O-CB 3.31Å; K34-Y37 CarbonylContact C-O 3.55Å; K34-Y37 VanDerWaalsContact CA-O 3.26Å; K34-Y37 WeakPolarHBondContact CA-O 3.49Å; K34-Y37 HydrophobicContact CB-CD1 4.44Å; K34-Y37 HydrophobicContact CB-CD2 4.36Å; K34-Y37 HydrophobicContact CB-CE1 4.11Å; K34-Y37 HydrophobicContact CB-CE2 4.05Å; K34-Y37 WeakPolarHBondContact CB-O 3.38Å; K34-Y37 HydrophobicContact CD-CE2 3.67Å; K34-Y37 WeakPolarHBondContact CD-OH 3.25Å; K34-Y37 HydrophobicContact CG-CE2 4.39Å; K34-Y37 PolarHBondContact N-O 3.32Å; K34-Y37 PolarHBondContact O-N 2.9Å; N35-Y37 VanDerWaalsContact C-N 3.31Å; N35-Y37 WeakPolarHBondContact O-CD1 3.43Å; N35-Y37 PolarHBondContact O-N 3.03Å; Y37-F39 HydrophobicContact CD2-CE2 4.12Å; Y37-F39 HydrophobicContact CD2-CZ 4.45Å; Y37-F39 AromaticContact CE2-CE2 3.9Å; Y37-F39 HydrophobicContact CE2-CE2 3.9Å; Y37-F39 HydrophobicContact CE2-CZ 4.32Å
38G89.7Confident86.2Confident1 Ų156.6 Ų56.61%0.0128%0.275CS..EExtended strand (participates in β ladder)trans-139175176.400000112.6I6 D32I6-G38 PolarHBondContact N-O 2.58Å; I6-G38 PolarHBondContact O-N 3.3Å; D32-G38 CarbonylContact O-C 3.56Å; D32-G38 VanDerWaalsContact O-CA 3.3Å; D32-G38 WeakPolarHBondContact O-CA 3.25Å
39F90.6Very high86.3Confident41 Ų4157.5 Ų57.518%0.1828%0.28CS..EExtended strand (participates in β ladder)trans-129.4149.8165.8-53.8-92.8000110.1R3 V4 Y5 D32 Y37 A70R3-F39 HydrophobicContact CG-CB 4.28Å; R3-F39 VanDerWaalsContact CZ-CB 3.4Å; V4-F39 CarbonylContact O-C 3.54Å; V4-F39 WeakPolarHBondContact O-CA 3.44Å; Y5-F39 AromaticContact CD2-CD1 4Å; Y5-F39 HydrophobicContact CD2-CD1 4Å; Y5-F39 AromaticContact CD2-CE1 3.59Å; Y5-F39 HydrophobicContact CD2-CE1 3.59Å; Y5-F39 HydrophobicContact CD2-CZ 4.02Å; Y5-F39 HydrophobicContact CG-CE1 4.29Å; D32-F39 HydrophobicContact CB-CB 4.27Å; D32-F39 HydrophobicContact CB-CD2 4.48Å; D32-F39 PolarHBondContact N-O 2.83Å; D32-F39 PolarHBondContact O-N 2.77Å; D32-F39 WeakPolarHBondContact OD2-CD2 3.36Å; Y37-F39 HydrophobicContact CD2-CE2 4.12Å; Y37-F39 HydrophobicContact CD2-CZ 4.45Å; Y37-F39 AromaticContact CE2-CE2 3.9Å; Y37-F39 HydrophobicContact CE2-CE2 3.9Å; Y37-F39 HydrophobicContact CE2-CZ 4.32Å; F39-A70 HydrophobicContact CD1-CB 3.98Å; F39-A70 HydrophobicContact CE1-CB 4.23Å
40V89.9Confident86.4Confident1 Ų156.4 Ų56.41%0.00628%0.277CS..EExtended strand (participates in β ladder)trans-130137.4175.7165.20000108R3 V4 I6 I18 F22 L28 E30 I31 F42R3-V40 CarbonylContact C-O 3.56Å; R3-V40 WeakPolarHBondContact CA-O 3.23Å; V4-V40 PolarHBondContact N-O 3.26Å; V4-V40 PolarHBondContact O-N 2.7Å; I6-V40 HydrophobicContact CD1-CB 4.41Å; I6-V40 HydrophobicContact CD1-CG2 3.6Å; I18-V40 HydrophobicContact CG2-CG2 3.62Å; F22-V40 HydrophobicContact CD2-CG2 4.43Å; F22-V40 HydrophobicContact CE2-CG2 4.39Å; L28-V40 HydrophobicContact CD2-CG1 3.24Å; E30-V40 CarbonylContact O-C 3.53Å; E30-V40 WeakPolarHBondContact O-CA 3.44Å; I31-V40 HydrophobicContact CG1-CG2 4.39Å; I31-V40 HydrophobicContact CG2-CG2 4.27Å; V40-F42 HydrophobicContact CB-CE2 4.31Å; V40-F42 HydrophobicContact CG1-CD2 3.84Å; V40-F42 HydrophobicContact CG1-CE2 3.43Å; V40-F42 VanDerWaalsContact CG1-CE2 3.43Å; V40-F42 HydrophobicContact CG1-CZ 3.98Å
41E88.3Confident86.6Confident4 Ų452.8 Ų52.82%0.01926%0.26CS..EExtended strand (participates in β ladder)trans-111.4135170.5-164.8161.2107.700110.8M1 M29 E30 R74M1-E41 HydrophobicContact CB-CG 3.68Å; M1-E41 WeakPolarHBondContact CB-OE1 3.13Å; M1-E41 WeakPolarHBondContact CG-OE1 3.26Å; M29-E41 PolarHBondContact N-O 3.44Å; E30-E41 HydrophobicContact CB-CB 4.14Å; E30-E41 PolarHBondContact O-N 3.25Å; E41-R74 IonicContact OE1-CZ 3.62Å; E41-R74 IonicContact OE1-NE 3.71Å; E41-R74 IonicContact OE1-NH2 3.58Å; E41-R74 PolarHBondContact OE1-NH2 3.2Å; E41-R74 IonicContact OE2-CZ 3.2Å; E41-R74 IonicContact OE2-NE 3.48Å; E41-R74 PolarHBondContact OE2-NE 2.92Å; E41-R74 IonicContact OE2-NH2 3.51Å; E41-R74 PolarHBondContact OE2-NH2 3.46Å; E41-R74 VanDerWaalsContact OE2-NH2 3.1Å
42F88.4Confident86.6Confident0 Ų052.1 Ų52.10%026%0.258CS..EExtended strand (participates in β ladder)trans-104.7158.5-177.3-73.3-100.8000112.5P2 V4 F22 K27 L28 V40 D44 D47 A48 A51P2-F42 HydrophobicContact CG-CB 4.06Å; P2-F42 WeakPolarHBondContact CG-O 3.36Å; P2-F42 PolarHBondContact O-N 3.18Å; V4-F42 HydrophobicContact CB-CE2 4.01Å; V4-F42 HydrophobicContact CG2-CD2 3.88Å; V4-F42 HydrophobicContact CG2-CE2 3.56Å; F22-F42 HydrophobicContact CB-CZ 4.45Å; F22-F42 HydrophobicContact CD1-CE1 4.48Å; F22-F42 HydrophobicContact CD1-CE2 4.43Å; F22-F42 AromaticContact CD1-CZ 3.6Å; F22-F42 HydrophobicContact CD1-CZ 3.6Å; F22-F42 HydrophobicContact CE1-CZ 4.18Å; F22-F42 HydrophobicContact CG-CZ 4.28Å; K27-F42 WeakPolarHBondContact O-CA 3.26Å; L28-F42 HydrophobicContact CD2-CE1 4.1Å; L28-F42 HydrophobicContact CD2-CZ 4.15Å; V40-F42 HydrophobicContact CB-CE2 4.31Å; V40-F42 HydrophobicContact CG1-CD2 3.84Å; V40-F42 HydrophobicContact CG1-CE2 3.43Å; V40-F42 VanDerWaalsContact CG1-CE2 3.43Å; V40-F42 HydrophobicContact CG1-CZ 3.98Å; F42-D44 WeakPolarHBondContact CB-O 3.27Å; F42-D47 HydrophobicContact CD1-CB 3.83Å; F42-D47 HydrophobicContact CE1-CB 4.46Å; F42-A48 HydrophobicContact CB-CB 4.04Å; F42-A48 HydrophobicContact CD2-CB 3.6Å; F42-A48 HydrophobicContact CE2-CB 4.14Å; F42-A48 HydrophobicContact CG-CB 3.82Å; F42-A51 HydrophobicContact CE1-CB 4.09Å; F42-A51 HydrophobicContact CE2-CB 4.42Å; F42-A51 HydrophobicContact CZ-CB 3.64Å
43E86.1Confident86.6Confident116 Ų11659.8 Ų59.854%0.54229%0.285SS..SBendtrans-71.9-42.4173.5-166.3174.8157.800112.1K27 M29K27-E43 HydrophobicContact CB-CB 4.21Å; K27-E43 WeakPolarHBondContact CD-OE2 3.24Å; K27-E43 IonicContact NZ-OE1 3.54Å; K27-E43 IonicContact NZ-OE2 2.85Å; K27-E43 PolarHBondContact NZ-OE2 2.69Å; K27-E43 PolarHBondContact O-N 2.92Å; K27-E43 VanDerWaalsContact O-N 3.09Å; M29-E43 HydrophobicContact CG-CB 4.36Å
44D86.8Confident86.5Confident49 Ų4962 Ų6226%0.26229%0.293SS..SBendtrans-111.6154.5174.2-157.1-64.5000111.6P2 F42 R46 D47P2-D44 VanDerWaalsContact CG-O 3.28Å; P2-D44 WeakPolarHBondContact CG-O 3.08Å; F42-D44 WeakPolarHBondContact CB-O 3.27Å; D44-R46 WeakPolarHBondContact OD1-CB 3.48Å; D44-R46 IonicContact OD1-CZ 3.61Å; D44-R46 PolarHBondContact OD1-N 3.26Å; D44-R46 IonicContact OD1-NE 3.69Å; D44-R46 PolarHBondContact OD1-NE 2.95Å; D44-R46 IonicContact OD1-NH2 2.7Å; D44-R46 IonicContact OD2-CZ 2.68Å; D44-R46 IonicContact OD2-NE 3.47Å; D44-R46 PolarHBondContact OD2-NE 3.3Å; D44-R46 IonicContact OD2-NH2 2.91Å; D44-R46 PolarHBondContact OD2-NH2 3.32Å; D44-D47 HydrophobicContact CB-CB 4.34Å
45N83.7Confident86.5Confident81 Ų8158.2 Ų58.243%0.43328%0.277SS..Hα-helixtrans-73.6-33.5175.5-158.2109.2000111.2P2 A48 D49P2-N45 HydrophobicContact CB-CB 4.1Å; P2-N45 HydrophobicContact CG-CB 4.37Å; N45-A48 CarbonylContact O-C 3.55Å; N45-A48 WeakPolarHBondContact O-CA 3.46Å; N45-A48 WeakPolarHBondContact O-CB 3.41Å; N45-A48 PolarHBondContact O-N 3.06Å; N45-A48 VanDerWaalsContact O-N 3.1Å; N45-D49 VanDerWaalsContact ND2-CG 3.34Å; N45-D49 PolarHBondContact ND2-OD1 3.29Å; N45-D49 PolarHBondContact ND2-OD2 3.41Å; N45-D49 VanDerWaalsContact O-CG 3.29Å; N45-D49 PolarHBondContact O-N 2.72Å
46R87.3Confident86.7Confident164 Ų16456.7 Ų56.762%0.61927%0.269SS*.Hα-helixtrans-66.9-47.3-177.4-67.8166.3-72.9-179.90.7111.4D44 A48 D49 D50D44-R46 WeakPolarHBondContact OD1-CB 3.48Å; D44-R46 IonicContact OD1-CZ 3.61Å; D44-R46 PolarHBondContact OD1-N 3.26Å; D44-R46 IonicContact OD1-NE 3.69Å; D44-R46 PolarHBondContact OD1-NE 2.95Å; D44-R46 IonicContact OD1-NH2 2.7Å; D44-R46 IonicContact OD2-CZ 2.68Å; D44-R46 IonicContact OD2-NE 3.47Å; D44-R46 PolarHBondContact OD2-NE 3.3Å; D44-R46 IonicContact OD2-NH2 2.91Å; D44-R46 PolarHBondContact OD2-NH2 3.32Å; R46-A48 PolarHBondContact O-N 3.31Å; R46-A48 VanDerWaalsContact O-N 3.1Å; R46-D49 PolarHBondContact O-N 2.8Å; R46-D50 PolarHBondContact O-N 2.87Å
47D87.2Confident86.9Confident45 Ų4557.1 Ų57.124%0.24127%0.273CS..Hα-helixtrans-48-38.3169-63.726.6000112.1Y25 G26 F42 D44 A51Y25-D47 WeakPolarHBondContact O-CB 3.45Å; G26-D47 WeakPolarHBondContact CA-OD2 3.24Å; F42-D47 HydrophobicContact CD1-CB 3.83Å; F42-D47 HydrophobicContact CE1-CB 4.46Å; D44-D47 HydrophobicContact CB-CB 4.34Å; D47-A51 WeakPolarHBondContact O-CB 3.43Å; D47-A51 PolarHBondContact O-N 3.45Å
48A86.6Confident86.7Confident0 Ų056.5 Ų56.50%027%0.273CS..Hα-helixtrans-78.9-36.5178.100000113.7P2 V4 F42 N45 R46 V52P2-A48 HydrophobicContact CB-CB 3.9Å; V4-A48 HydrophobicContact CG2-CB 3.83Å; F42-A48 HydrophobicContact CB-CB 4.04Å; F42-A48 HydrophobicContact CD2-CB 3.6Å; F42-A48 HydrophobicContact CE2-CB 4.14Å; F42-A48 HydrophobicContact CG-CB 3.82Å; N45-A48 CarbonylContact O-C 3.55Å; N45-A48 WeakPolarHBondContact O-CA 3.46Å; N45-A48 WeakPolarHBondContact O-CB 3.41Å; N45-A48 PolarHBondContact O-N 3.06Å; N45-A48 VanDerWaalsContact O-N 3.1Å; R46-A48 PolarHBondContact O-N 3.31Å; R46-A48 VanDerWaalsContact O-N 3.1Å; A48-V52 WeakPolarHBondContact O-CB 3.37Å; A48-V52 WeakPolarHBondContact O-CG2 3.48Å; A48-V52 PolarHBondContact O-N 3.05Å
49D86.5Confident86.4Confident63 Ų6361 Ų6134%0.33730%0.297SS..Hα-helixtrans-63.9-47.2173.2-62.5-55.7000110.6N45 R46 V52 Y53 H69N45-D49 VanDerWaalsContact ND2-CG 3.34Å; N45-D49 PolarHBondContact ND2-OD1 3.29Å; N45-D49 PolarHBondContact ND2-OD2 3.41Å; N45-D49 VanDerWaalsContact O-CG 3.29Å; N45-D49 PolarHBondContact O-N 2.72Å; R46-D49 PolarHBondContact O-N 2.8Å; D49-V52 PolarHBondContact O-N 3.45Å; D49-Y53 PolarHBondContact O-N 3.35Å; D49-H69 IonicContact OD1-CE1 2.9Å; D49-H69 PolarHBondContact OD1-CE1 2.9Å; D49-H69 IonicContact OD1-ND1 3.42Å; D49-H69 IonicContact OD1-NE2 3.78Å
50D86.9Confident85.8Confident97 Ų9759.7 Ų59.752%0.51929%0.291SS..Hα-helixtrans-66-42.4178.3-67.2-25.4000111.2R46 Y53 E54R46-D50 PolarHBondContact O-N 2.87Å; D50-Y53 PolarHBondContact O-N 3.27Å; D50-E54 PolarHBondContact O-N 3.35Å
51A86.6Confident85Confident0 Ų063 Ų630%031%0.314CS..Hα-helixtrans-61.1-42.8172.600000112.6F22 Y25 F42 D47 Y53 L55F22-A51 HydrophobicContact CD1-CB 3.96Å; F22-A51 HydrophobicContact CE1-CB 4.1Å; Y25-A51 HydrophobicContact CG-CB 4.17Å; F42-A51 HydrophobicContact CE1-CB 4.09Å; F42-A51 HydrophobicContact CE2-CB 4.42Å; F42-A51 HydrophobicContact CZ-CB 3.64Å; D47-A51 WeakPolarHBondContact O-CB 3.43Å; D47-A51 PolarHBondContact O-N 3.45Å; A51-Y53 VanDerWaalsContact C-N 3.33Å; A51-L55 HydrophobicContact CB-CD1 4.18Å; A51-L55 WeakPolarHBondContact O-CB 3.24Å; A51-L55 WeakPolarHBondContact O-CG 3.49Å; A51-L55 PolarHBondContact O-N 3.41Å
52V88.3Confident84.5Confident20 Ų2066.2 Ų66.212%0.12135%0.348CS..Hα-helixtrans-63.1-40.8175.3164.40000110.9V4 A48 D49 N56 V67V4-V52 HydrophobicContact CG1-CG2 3.93Å; V4-V52 HydrophobicContact CG2-CG2 3.83Å; A48-V52 WeakPolarHBondContact O-CB 3.37Å; A48-V52 WeakPolarHBondContact O-CG2 3.48Å; A48-V52 PolarHBondContact O-N 3.05Å; D49-V52 PolarHBondContact O-N 3.45Å; V52-N56 VanDerWaalsContact O-CB 3.23Å; V52-N56 WeakPolarHBondContact O-CB 3.47Å; V52-N56 PolarHBondContact O-N 3.49Å; V52-V67 HydrophobicContact CG2-CG1 4.01Å
53Y86.4Confident84.1Confident202 Ų20269.6 Ų69.679%0.79236%0.364SS*.Hα-helixtrans-66.4-47179.8-173.2-101.5000112.8D49 D50 A51D49-Y53 PolarHBondContact O-N 3.35Å; D50-Y53 PolarHBondContact O-N 3.27Å; A51-Y53 VanDerWaalsContact C-N 3.33Å
54E84.3Confident84.1Confident103 Ų10371 Ų7148%0.48136%0.364SS..Hα-helixtrans-88.8-19.9-174.2-84.8-157.1-14900115.6Y25 D50 K58Y25-E54 HydrophobicContact CE1-CB 3.55Å; Y25-E54 HydrophobicContact CE1-CG 4.04Å; Y25-E54 WeakPolarHBondContact CE1-OE2 3.37Å; Y25-E54 PolarHBondContact OH-OE2 3.27Å; D50-E54 PolarHBondContact O-N 3.35Å; E54-K58 WeakPolarHBondContact O-CD 3.26Å; E54-K58 WeakPolarHBondContact O-CE 3.28Å; E54-K58 PolarHBondContact O-NZ 3.2Å; E54-K58 IonicContact OE2-NZ 3.35Å
55L84.8Confident84.2Confident3 Ų368.7 Ų68.72%0.01635%0.351CS..Hα-helixtrans-104.4-14.3-174.4-58.8174.3000114.2F21 F22 Y25 A51 G57 K58 V67F21-L55 HydrophobicContact CD1-CD1 3.98Å; F21-L55 HydrophobicContact CD1-CD2 4.24Å; F21-L55 HydrophobicContact CE1-CB 3.7Å; F21-L55 HydrophobicContact CE1-CD1 3.89Å; F21-L55 HydrophobicContact CE1-CD2 3.85Å; F21-L55 HydrophobicContact CE1-CG 4.03Å; F21-L55 HydrophobicContact CE2-CD2 4.12Å; F21-L55 HydrophobicContact CZ-CB 3.97Å; F21-L55 HydrophobicContact CZ-CD2 3.79Å; F21-L55 HydrophobicContact CZ-CG 4.35Å; F22-L55 HydrophobicContact CD1-CD1 3.14Å; F22-L55 HydrophobicContact CE1-CB 4.42Å; F22-L55 HydrophobicContact CE1-CD1 3.22Å; F22-L55 HydrophobicContact CE1-CG 4.42Å; F22-L55 HydrophobicContact CG-CD1 3.91Å; F22-L55 HydrophobicContact CZ-CD1 3.98Å; Y25-L55 HydrophobicContact CD2-CD1 3.71Å; Y25-L55 HydrophobicContact CD2-CD2 4.32Å; Y25-L55 HydrophobicContact CD2-CG 4.21Å; Y25-L55 HydrophobicContact CE2-CD1 3.78Å; Y25-L55 HydrophobicContact CE2-CD2 3.53Å; Y25-L55 HydrophobicContact CE2-CG 3.81Å; Y25-L55 HydrophobicContact CG-CD1 4.38Å; A51-L55 HydrophobicContact CB-CD1 4.18Å; A51-L55 WeakPolarHBondContact O-CB 3.24Å; A51-L55 WeakPolarHBondContact O-CG 3.49Å; A51-L55 PolarHBondContact O-N 3.41Å; L55-G57 PolarHBondContact O-N 2.9Å; L55-K58 HydrophobicContact CD2-CD 3.67Å; L55-K58 PolarHBondContact O-N 3.13Å; L55-V67 HydrophobicContact CB-CG2 4.07Å; L55-V67 WeakPolarHBondContact O-CG2 3.09Å
56N87.1Confident84.4Confident83 Ų8368 Ų6844%0.44435%0.347SS..THydrogen-bonded Turntrans-65.7121.6174.1-170.322.3000110.9V52 I66 V67V52-N56 VanDerWaalsContact O-CB 3.23Å; V52-N56 WeakPolarHBondContact O-CB 3.47Å; V52-N56 PolarHBondContact O-N 3.49Å; N56-I66 WeakPolarHBondContact OD1-CA 3.45Å; N56-V67 HydrophobicContact CB-CB 4Å; N56-V67 PolarHBondContact OD1-N 3.48Å
57G81.8Confident84.5Confident35 Ų3560.2 Ų60.236%0.36132%0.318SS..THydrogen-bonded Turntrans87-5.6-178.700000115.9L55 V65L55-G57 PolarHBondContact O-N 2.9Å; G57-V65 WeakPolarHBondContact CA-O 3.37Å; G57-V65 PolarHBondContact N-O 3.27Å
58K84.5Confident84.5Confident79 Ų7962.9 Ų62.934%0.34333%0.329SS..  trans-65.7146.1172.4-91.8176-178.4141.10110.7F21 Y25 E54 L55 V65F21-K58 HydrophobicContact CE2-CB 4.01Å; F21-K58 HydrophobicContact CE2-CD 4.39Å; F21-K58 HydrophobicContact CZ-CB 3.88Å; Y25-K58 PolarHBondContact OH-NZ 3.33Å; E54-K58 WeakPolarHBondContact O-CD 3.26Å; E54-K58 WeakPolarHBondContact O-CE 3.28Å; E54-K58 PolarHBondContact O-NZ 3.2Å; E54-K58 IonicContact OE2-NZ 3.35Å; L55-K58 HydrophobicContact CD2-CD 3.67Å; L55-K58 PolarHBondContact O-N 3.13Å; K58-V65 WeakPolarHBondContact O-CG2 3.38Å; K58-V65 PolarHBondContact O-N 2.91Å
59D82.3Confident84.5Confident96 Ų9666.7 Ų66.751%0.51335%0.346SS..EExtended strand (participates in β ladder)trans-80122.9177.1-62.5-83.4000111E63 R64D59-E63 CarbonylContact C-O 3.45Å; D59-E63 WeakPolarHBondContact CA-O 3.49Å; D59-R64 VanDerWaalsContact CG-NH1 3.35Å; D59-R64 WeakPolarHBondContact OD1-CG 2.96Å; D59-R64 IonicContact OD1-CZ 3.64Å; D59-R64 IonicContact OD1-NH1 3.86Å; D59-R64 PolarHBondContact OD1-NH1 2.86Å; D59-R64 IonicContact OD2-NH1 3Å; D59-R64 PolarHBondContact OD2-NH1 2.83Å
60L77.9Confident84.2Confident12 Ų1264.9 Ų64.96%0.06334%0.34CS..EExtended strand (participates in β ladder)trans-128.8115.3-178.6-142.2-178.8000108.5V13 F21 G62 E63 V65V13-L60 HydrophobicContact CG1-CD2 4.43Å; V13-L60 HydrophobicContact CG2-CD2 4.13Å; F21-L60 HydrophobicContact CB-CD1 4.18Å; F21-L60 HydrophobicContact CD1-CD1 3.62Å; F21-L60 HydrophobicContact CD2-CD1 3.76Å; F21-L60 HydrophobicContact CD2-CG 3.75Å; F21-L60 HydrophobicContact CE1-CD1 3.72Å; F21-L60 HydrophobicContact CE2-CB 4.32Å; F21-L60 HydrophobicContact CE2-CD1 3.86Å; F21-L60 HydrophobicContact CE2-CG 3.81Å; F21-L60 HydrophobicContact CG-CD1 3.62Å; F21-L60 HydrophobicContact CG-CG 4.11Å; F21-L60 HydrophobicContact CZ-CD1 3.83Å; F21-L60 HydrophobicContact CZ-CG 4.21Å; L60-G62 PolarHBondContact O-N 2.88Å; L60-E63 PolarHBondContact N-O 3Å; L60-E63 PolarHBondContact O-N 2.87Å; L60-V65 HydrophobicContact CB-CG1 3.47Å; L60-V65 VanDerWaalsContact CB-CG1 3.47Å; L60-V65 HydrophobicContact CB-CG2 4.35Å; L60-V65 HydrophobicContact CD1-CG1 4.01Å; L60-V65 HydrophobicContact CD1-CG2 4.4Å; L60-V65 HydrophobicContact CG-CG1 4.4Å
61C73.5Confident82.9Confident72 Ų7272.1 Ų72.149%0.48636%0.36SS..THydrogen-bonded Turntrans5136.5-174.2-62.10000114.4V13V13-C61 HydrophobicContact CG2-CB 3.78Å
62G78Confident81.3Confident71 Ų7174.7 Ų74.773%0.73239%0.387SS*.THydrogen-bonded Turntrans91-3.2175.200000116L60L60-G62 PolarHBondContact O-N 2.88Å
63E80.3Confident79.4Confident71 Ų7179.9 Ų79.933%0.33242%0.421SS..EExtended strand (participates in β ladder)trans-118.7144.6172.2-76-155.2-117.300112.3R8 D59 L60 V65R8-E63 IonicContact CZ-OE2 3.94Å; R8-E63 IonicContact NE-OE2 2.58Å; R8-E63 IonicContact NH2-OE2 2.78Å; R8-E63 PolarHBondContact NH2-OE2 3.08Å; D59-E63 CarbonylContact C-O 3.45Å; D59-E63 WeakPolarHBondContact CA-O 3.49Å; L60-E63 PolarHBondContact N-O 3Å; L60-E63 PolarHBondContact O-N 2.87Å; E63-V65 PolarHBondContact O-N 2.8Å
64R85.6Confident77.8Confident145 Ų14574.7 Ų74.755%0.54740%0.4SS..EExtended strand (participates in β ladder)trans-70.7110.8170.5-63.1-173.3-153.4-64.16.3109.8R8 D59R8-R64 WeakPolarHBondContact CB-O 3.33Å; D59-R64 VanDerWaalsContact CG-NH1 3.35Å; D59-R64 WeakPolarHBondContact OD1-CG 2.96Å; D59-R64 IonicContact OD1-CZ 3.64Å; D59-R64 IonicContact OD1-NH1 3.86Å; D59-R64 PolarHBondContact OD1-NH1 2.86Å; D59-R64 IonicContact OD2-NH1 3Å; D59-R64 PolarHBondContact OD2-NH1 2.83Å
65V88.7Confident76.2Confident0 Ų081.4 Ų81.40%042%0.421CS..  trans-77145.3177.7-60.10000110.8I6 L9 F21 G57 K58 L60 E63 V67I6-V65 HydrophobicContact CG2-CB 4.1Å; L9-V65 HydrophobicContact CD2-CG1 3.76Å; F21-V65 HydrophobicContact CE1-CG2 4.03Å; F21-V65 HydrophobicContact CZ-CG2 3.76Å; G57-V65 WeakPolarHBondContact CA-O 3.37Å; G57-V65 PolarHBondContact N-O 3.27Å; K58-V65 WeakPolarHBondContact O-CG2 3.38Å; K58-V65 PolarHBondContact O-N 2.91Å; L60-V65 HydrophobicContact CB-CG1 3.47Å; L60-V65 VanDerWaalsContact CB-CG1 3.47Å; L60-V65 HydrophobicContact CB-CG2 4.35Å; L60-V65 HydrophobicContact CD1-CG1 4.01Å; L60-V65 HydrophobicContact CD1-CG2 4.4Å; L60-V65 HydrophobicContact CG-CG1 4.4Å; E63-V65 PolarHBondContact O-N 2.8Å; V65-V67 HydrophobicContact CG2-CG2 3.96Å
66I88.1Confident74.3Confident68 Ų6885.7 Ų85.735%0.34944%0.444SS..EExtended strand (participates in β ladder)trans-100.5123.2173.4-64176.8000107.2I6 G7 R8 N56 E68I6-I66 CarbonylContact C-O 3.54Å; I6-I66 VanDerWaalsContact CA-O 3.26Å; I6-I66 WeakPolarHBondContact CA-O 3.38Å; G7-I66 PolarHBondContact N-O 3.19Å; G7-I66 PolarHBondContact O-N 3.26Å; R8-I66 HydrophobicContact CG-CD1 3.95Å; R8-I66 HydrophobicContact CG-CG1 4.22Å; N56-I66 WeakPolarHBondContact OD1-CA 3.45Å; I66-E68 HydrophobicContact CG2-CG 4.11Å
67V89.9Confident72.5Confident0 Ų093 Ų930%047%0.465CS..EExtended strand (participates in β ladder)trans-118.5120.9-178.3-1700000108.8V4 Y5 I6 F22 V52 L55 N56 V65V4-V67 HydrophobicContact CG1-CG1 3.37Å; Y5-V67 WeakPolarHBondContact O-CA 2.95Å; I6-V67 HydrophobicContact CG2-CG2 4.42Å; F22-V67 HydrophobicContact CE1-CG1 4.22Å; F22-V67 HydrophobicContact CZ-CG1 4.2Å; F22-V67 HydrophobicContact CZ-CG2 4.48Å; V52-V67 HydrophobicContact CG2-CG1 4.01Å; L55-V67 HydrophobicContact CB-CG2 4.07Å; L55-V67 WeakPolarHBondContact O-CG2 3.09Å; N56-V67 HydrophobicContact CB-CB 4Å; N56-V67 PolarHBondContact OD1-N 3.48Å; V65-V67 HydrophobicContact CG2-CG2 3.96Å
68E87.6Confident70.8Confident101 Ų10198.5 Ų98.547%0.47249%0.486SS..EExtended strand (participates in β ladder)trans-140.9160.1-176.4-68.1-166.2127.200111.7V4 Y5 I66 A70V4-E68 CarbonylContact C-O 3.59Å; V4-E68 WeakPolarHBondContact CA-O 3.4Å; Y5-E68 HydrophobicContact CD1-CB 4.49Å; Y5-E68 PolarHBondContact N-O 3.25Å; Y5-E68 PolarHBondContact O-N 3.2Å; I66-E68 HydrophobicContact CG2-CG 4.11Å; E68-A70 PolarHBondContact O-N 3.19Å
69H84.8Confident68.9Low79 Ų7999.9 Ų99.937%0.36651%0.506SS..EExtended strand (participates in β ladder)trans-69.6125168.3-58.5-85.3000111D49 R71D49-H69 IonicContact OD1-CE1 2.9Å; D49-H69 PolarHBondContact OD1-CE1 2.9Å; D49-H69 IonicContact OD1-ND1 3.42Å; D49-H69 IonicContact OD1-NE2 3.78Å; H69-R71 PolarHBondContact O-N 2.92Å; H69-R71 VanDerWaalsContact O-N 3.09Å
70A80.3Confident67.1Low25 Ų25107.5 Ų107.521%0.20753%0.529CS..  trans-68.9107.6-178.500000110.9R3 F39 E68 G72R3-A70 HydrophobicContact CB-CB 4.06Å; R3-A70 HydrophobicContact CG-CB 4.07Å; R3-A70 WeakPolarHBondContact O-CB 3.34Å; R3-A70 PolarHBondContact O-N 2.82Å; F39-A70 HydrophobicContact CD1-CB 3.98Å; F39-A70 HydrophobicContact CE1-CB 4.23Å; E68-A70 PolarHBondContact O-N 3.19Å; A70-G72 PolarHBondContact O-N 2.99Å
71R60Low65.3Low249 Ų249109.7 Ų109.794%0.9456%0.555SS**  trans-77.885.7-176-63.5-171.8-173.7-169.84.9112.7H69H69-R71 PolarHBondContact O-N 2.92Å; H69-R71 VanDerWaalsContact O-N 3.09Å
72G53.1Low64.1Low54 Ų54110 Ų11056%0.55757%0.571SS**SBendtrans172.8147.5161.100000113.7A70A70-G72 PolarHBondContact O-N 2.99Å
73P48.6Very low62.1Low129 Ų129109.9 Ų109.984%0.83857%0.569SS**  trans-59.3144.6161.828.8-33.6000109.1
74R53Low60.2Low93 Ų93117.6 Ų117.635%0.35160%0.596SS.*  trans-52.5142.3-178.7-71.3-175.4169-131.19.6110.7E30 E41 D76E30-R74 IonicContact OE1-NH1 3.1Å; E30-R74 IonicContact OE2-CZ 2.93Å; E30-R74 VanDerWaalsContact OE2-CZ 3.27Å; E30-R74 IonicContact OE2-NH1 2.72Å; E30-R74 PolarHBondContact OE2-NH1 2.86Å; E30-R74 IonicContact OE2-NH2 3.27Å; E30-R74 PolarHBondContact OE2-NH2 2.72Å; E41-R74 IonicContact OE1-CZ 3.62Å; E41-R74 IonicContact OE1-NE 3.71Å; E41-R74 IonicContact OE1-NH2 3.58Å; E41-R74 PolarHBondContact OE1-NH2 3.2Å; E41-R74 IonicContact OE2-CZ 3.2Å; E41-R74 IonicContact OE2-NE 3.48Å; E41-R74 PolarHBondContact OE2-NE 2.92Å; E41-R74 IonicContact OE2-NH2 3.51Å; E41-R74 PolarHBondContact OE2-NH2 3.46Å; E41-R74 VanDerWaalsContact OE2-NH2 3.1Å; R74-D76 VanDerWaalsContact C-N 3.26Å; R74-D76 WeakPolarHBondContact CB-OD2 3.23Å; R74-D76 WeakPolarHBondContact CD-OD2 3.44Å; R74-D76 PolarHBondContact O-N 2.89Å
75R51.2Low58Low245 Ų245122.4 Ų122.493%0.92562%0.615SS**  trans-95.235.6179.7-149.6-179.6-169-178.73.8112.2R77R75-R77 PolarHBondContact O-N 3.07Å
76D43.8Very low55.5Low92 Ų92125.7 Ų125.749%0.49265%0.649SS.*  trans-66.4108.2167.7-37.8-41.1000105.5R74 D78R74-D76 VanDerWaalsContact C-N 3.26Å; R74-D76 WeakPolarHBondContact CB-OD2 3.23Å; R74-D76 WeakPolarHBondContact CD-OD2 3.44Å; R74-D76 PolarHBondContact O-N 2.89Å; D76-D78 PolarHBondContact O-N 3.37Å
77R49.6Very low53Low238 Ų238126.9 Ų126.990%0.89868%0.678SS**SBend61-16.858.7-162.6152.4-174.7143.54.9115.1R75R75-R77 PolarHBondContact O-N 3.07Å
78D46.8Very low50.3Low150 Ų150130.5 Ų130.580%0.80272%0.715SS**  trans-129.370.3174.2-74.1-73.5000111.7D76D76-D78 PolarHBondContact O-N 3.37Å
79S44Very low47.9Very low108 Ų108137.7 Ų137.776%0.75574%0.738SS**  trans-136.747.1169.1-160.90000111.9G81S79-G81 PolarHBondContact O-N 3.3Å
80Y43.5Very low45.6Very low255 Ų255139.3 Ų139.3100%176%0.759SS**  trans-8551.2163-122.3-92.5000110
81G41.8Very low43.6Very low58 Ų58144 Ų14460%0.59879%0.789SS**  trans-128115.8-177.800000110.8S79S79-G81 PolarHBondContact O-N 3.3Å
82G48Very low42.3Very low80 Ų80135.8 Ų135.883%0.82578%0.783SS**  trans-75.1126.5-166.800000115.1
83G35.2Very low41.5Very low67 Ų67143.2 Ų143.269%0.69180%0.796SS**  trans-11282.5168.900000112.1W85G83-W85 PolarHBondContact O-N 3.17Å
84Y39.8Very low40.8Very low233 Ų233142.9 Ų142.991%0.91480%0.796SS**  trans-71.889.3176.1-90.9-97.1000111.7
85W40Very low40.1Very low246 Ų246142.3 Ų142.393%0.93281%0.807SS**  trans-131.1129160-62.992.2000108.3G83G83-W85 PolarHBondContact O-N 3.17Å
86G35.9Very low39.2Very low69 Ų69136 Ų13671%0.71180%0.8SS**  cis132.578.213.200000107.8G88G86-G88 PolarHBondContact O-N 2.7Å
87G35.2Very low39.1Very low93 Ų93136.9 Ų136.996%0.95981%0.813SS**  trans-65.5121.6-172.100000112.4
88G34.8Very low38.4Very low77 Ų77129.9 Ų129.979%0.79480%0.801SS**  trans-140.6136.5175.500000110.5G86G86-G88 PolarHBondContact O-N 2.7Å
89R35.6Very low38.4Very low251 Ų251128.2 Ų128.295%0.94780%0.801SS**  trans-101.5155.8-179.4-67.6-179.7170.3-162.6-1.7111.5
90S37Very low38.2Very low114 Ų114133.7 Ų133.780%0.79781%0.805SS**  trans106.1123.6130.3-151.30000119.3
91S38.1Very low38.1Very low122 Ų122126.3 Ų126.385%0.85379%0.791SS**  trans72.6134.7144.5-152.30000120.2
92G32.4Very low38.2Very low78 Ų78135.4 Ų135.480%0.80481%0.807SS**  trans165.259.1179.300000111.8
93Y36.5Very low38.1Very low210 Ų210136.8 Ų136.882%0.82480%0.804SS**  trans-85.5119.9-176-175.6-85.5000111.4
94S35.5Very low38.7Very low121 Ų121137.1 Ų137.185%0.84681%0.807SS**  trans-153156.5155.9-163.30000110.4
95S36.9Very low39.2Very low82 Ų82137.1 Ų137.157%0.57381%0.806SS**  trans-109.9166.8-159.4-63.80000114.3
96S33.6Very low39.5Very low111 Ų111131.5 Ų131.578%0.77679%0.794SS**  trans83.4114.3147.9-151.20000119.1
97S40.8Very low40.1Very low111 Ų111137.9 Ų137.978%0.77680%0.802SS**  35.695.3129.5-159.50000118.8
98S35.4Very low40.5Very low91 Ų91142.5 Ų142.564%0.63679%0.792SS**  trans-150.3117132.8-151.50000112R100S98-R100 PolarHBondContact O-N 2.85Å
99S46.3Very low41.2Very low115 Ų115140.6 Ų140.680%0.80477%0.772SS**  trans-72.4114.4166.339.80000109.9
100R39.6Very low41.9Very low223 Ų223134 Ų13484%0.84276%0.761SS**  trans-142.779168.4-99.1138.6-160.4-136.94.1112.3S98S98-R100 PolarHBondContact O-N 2.85Å
101S41.5Very low42.8Very low101 Ų101132.2 Ų132.271%0.70675%0.747SS**  trans49.790.2139.8-160.30000118.2S103S101-S103 VanDerWaalsContact OG-CB 3.23Å; S101-S103 WeakPolarHBondContact OG-CB 3.24Å; S101-S103 PolarHBondContact OG-N 3.06Å
102R43.4Very low43.6Very low249 Ų249131.4 Ų131.494%0.9474%0.737SS**  trans-89.767.7135.3-80.1-171.3170.8-173.2-3108.8G104R102-G104 PolarHBondContact O-N 2.82Å
103S46.8Very low44.8Very low109 Ų109138 Ų13876%0.76274%0.738SS**  trans-58.9130.5170.8174.80000109.9S101S101-S103 VanDerWaalsContact OG-CB 3.23Å; S101-S103 WeakPolarHBondContact OG-CB 3.24Å; S101-S103 PolarHBondContact OG-N 3.06Å
104G48.3Very low46.2Very low73 Ų73129.4 Ų129.475%0.75371%0.707SS**SBendtrans171.4-57.717300000117.1R102R102-G104 PolarHBondContact O-N 2.82Å
105R48.9Very low47.9Very low234 Ų234130.9 Ų130.988%0.88370%0.7SS**SBendtrans-140.3-3.2-162.1-129179-172.1-172.43.1119K107R105-K107 PolarHBondContact O-N 2.83Å
106D46.3Very low50.1Low128 Ų128131 Ų13168%0.68469%0.689SS**G310 helixtrans-84.931.8-174.5-55.3-88.9000114.8Y108 G109D106-Y108 PolarHBondContact O-N 2.62Å; D106-G109 PolarHBondContact O-N 3.32Å
107K48.5Very low52.5Low202 Ų202129.9 Ų129.988%0.87867%0.667SS**G310 helixtrans-66-21.6172.6-163.5173.4-177-1790112.1R105R105-K107 PolarHBondContact O-N 2.83Å
108Y44.7Very low54.8Low191 Ų191124.6 Ų124.675%0.74963%0.63SS**G310 helixtrans-123.597155.5-78.3-81.7000108.1D106D106-Y108 PolarHBondContact O-N 2.62Å
109G49.5Very low57.3Low36 Ų36122.3 Ų122.337%0.37161%0.611SS.*  trans-66.2178.5164.800000111.6D106D106-G109 PolarHBondContact O-N 3.32Å
110P50.6Low59.2Low112 Ų112116.8 Ų116.873%0.72757%0.572SS**SBendtrans-50.4137.5169.6-23.233.5000109.9V112P110-V112 PolarHBondContact O-N 2.88Å
111P54.9Low61.4Low77 Ų77109.2 Ų109.250%0.555%0.547SS..  trans-48.9118.5-176.2-29.635.2000110.6R113 T143P111-R113 VanDerWaalsContact C-N 3.31Å; P111-R113 WeakPolarHBondContact O-CG 3.11Å; P111-R113 PolarHBondContact O-N 3.25Å; P111-T143 HydrophobicContact CB-CG2 4.46Å
112V55.8Low63.4Low105 Ų105108.3 Ų108.364%0.63653%0.534SS*.  trans-7094.1-176.9179.50000106.8P110 T114 T143P110-V112 PolarHBondContact O-N 2.88Å; V112-T114 VanDerWaalsContact C-N 3.31Å; V112-T114 HydrophobicContact CG1-CG2 4.46Å; V112-T114 VanDerWaalsContact O-CG2 3.27Å; V112-T114 WeakPolarHBondContact O-CG2 3.32Å; V112-T114 PolarHBondContact O-N 2.82Å; V112-T143 HydrophobicContact CB-CG2 4.27Å
113R57.6Low65.2Low218 Ų21896.4 Ų96.482%0.82349%0.489SS*.  trans-62.589.4-175.5-65.1-173.265.7-171.3-1.5110.2P111 E158P111-R113 VanDerWaalsContact C-N 3.31Å; P111-R113 WeakPolarHBondContact O-CG 3.11Å; P111-R113 PolarHBondContact O-N 3.25Å; R113-E158 VanDerWaalsContact CA-OE1 3.24Å; R113-E158 WeakPolarHBondContact CA-OE1 3.37Å
114T66.3Low66.7Low29 Ų2991.8 Ų91.818%0.17846%0.456CS..  trans-79.9164.417969.90000110.3V112 Y116 E158 F159V112-T114 VanDerWaalsContact C-N 3.31Å; V112-T114 HydrophobicContact CG1-CG2 4.46Å; V112-T114 VanDerWaalsContact O-CG2 3.27Å; V112-T114 WeakPolarHBondContact O-CG2 3.32Å; V112-T114 PolarHBondContact O-N 2.82Å; T114-Y116 HydrophobicContact CG2-CD2 4.43Å; T114-Y116 PolarHBondContact O-N 2.82Å; T114-Y116 PolarHBondContact OG1-N 3.48Å; T114-E158 PolarHBondContact N-OE1 3.31Å; T114-E158 PolarHBondContact OG1-OE1 3.08Å; T114-F159 WeakPolarHBondContact CG2-O 3.14Å; T114-F159 PolarHBondContact OG1-O 2.88Å
115E71.2Confident68Low151 Ų15192 Ų9271%0.70645%0.446SS*.SBendtrans-83.74.9172.1-55.2-171.6135.800112R117E115-R117 PolarHBondContact O-N 3.33Å
116Y81.5Confident69.1Low86 Ų8691.2 Ų91.234%0.33744%0.443SS..  trans-10063.1-172.4-49.7-45000111.3T114 F159 H162 M165T114-Y116 HydrophobicContact CG2-CD2 4.43Å; T114-Y116 PolarHBondContact O-N 2.82Å; T114-Y116 PolarHBondContact OG1-N 3.48Å; Y116-F159 PolarHBondContact O-N 2.87Å; Y116-H162 HydrophobicContact CD1-CB 3.84Å; Y116-H162 HydrophobicContact CD2-CB 4.49Å; Y116-H162 HydrophobicContact CE1-CB 3.64Å; Y116-H162 HydrophobicContact CE2-CB 4.3Å; Y116-H162 HydrophobicContact CG-CB 4.28Å; Y116-M165 WeakPolarHBondContact CA-SD 3.1Å
117R85.9Confident70.6Confident86 Ų8685.3 Ų85.333%0.32541%0.412SS..EExtended strand (participates in β ladder)trans-97.5131.4-177.7-176179.2163-156.71.3111.6E115 V156 I157 E158 D187E115-R117 PolarHBondContact O-N 3.33Å; R117-V156 HydrophobicContact CG-CG1 4.01Å; R117-I157 CarbonylContact C-O 3.58Å; R117-I157 VanDerWaalsContact CA-O 3.28Å; R117-I157 WeakPolarHBondContact CA-O 3.3Å; R117-E158 HydrophobicContact CB-CG 4.32Å; R117-D187 HydrophobicContact CB-CB 4.28Å; R117-D187 VanDerWaalsContact CD-OD2 3.23Å; R117-D187 WeakPolarHBondContact CD-OD2 3.37Å; R117-D187 HydrophobicContact CG-CB 4.03Å; R117-D187 IonicContact CZ-OD2 2.69Å; R117-D187 IonicContact NE-OD2 2.72Å; R117-D187 PolarHBondContact NE-OD2 2.76Å; R117-D187 IonicContact NH1-OD2 3.19Å; R117-D187 PolarHBondContact NH1-OD2 3.26Å; R117-D187 PolarHBondContact O-N 2.68Å
118L87.1Confident72.3Confident0 Ų077.7 Ų77.70%038%0.384CS..EExtended strand (participates in β ladder)trans-105.1145.9163.6-58.2-173.6000110.5M136 V156 I157 F159 M165 A168 M169 L184 V185 E186L118-M136 HydrophobicContact CD1-CE 3.94Å; L118-V156 WeakPolarHBondContact O-CA 3.22Å; L118-I157 PolarHBondContact N-O 2.89Å; L118-I157 PolarHBondContact O-N 3.17Å; L118-F159 HydrophobicContact CD1-CD2 4.47Å; L118-F159 HydrophobicContact CD1-CE2 3.85Å; L118-F159 HydrophobicContact CG-CE2 4.29Å; L118-M165 HydrophobicContact CD1-CG 4.16Å; L118-M165 HydrophobicContact CD2-CG 3.49Å; L118-M165 VanDerWaalsContact CD2-CG 3.49Å; L118-M165 HydrophobicContact CD2-SD 3.83Å; L118-M165 HydrophobicContact CG-CG 3.74Å; L118-M165 HydrophobicContact CG-SD 4.41Å; L118-A168 HydrophobicContact CD1-CB 4.12Å; L118-M169 HydrophobicContact CD1-CG 3.82Å; L118-M169 HydrophobicContact CD2-CG 3.82Å; L118-M169 HydrophobicContact CD2-SD 3.68Å; L118-L184 HydrophobicContact CD1-CB 4.34Å; L118-L184 HydrophobicContact CD1-CD1 4.22Å; L118-L184 HydrophobicContact CD1-CD2 4.27Å; L118-V185 CarbonylContact C-O 3.57Å; L118-V185 WeakPolarHBondContact CA-O 3.21Å; L118-E186 HydrophobicContact CD2-CB 4.25Å; L118-E186 HydrophobicContact CD2-CG 4.46Å
119I88.1Confident74.3Confident43 Ų4374.6 Ų74.622%0.22137%0.371CS..EExtended strand (participates in β ladder)trans-95.8141.6157.9-70.9162.2000107.2E121 G155 V185 D187I119-E121 HydrophobicContact CG2-CG 4.23Å; I119-G155 WeakPolarHBondContact CA-O 3.42Å; I119-V185 PolarHBondContact N-O 2.88Å; I119-V185 PolarHBondContact O-N 2.78Å; I119-D187 HydrophobicContact CD1-CB 3.81Å; I119-D187 HydrophobicContact CG1-CB 3.99Å
120V87.2Confident76.1Confident0 Ų078 Ų780%038%0.377CS..EExtended strand (participates in β ladder)trans-112.4110.2173.6-166.60000108.5L123 L132 E154 G155 I157 I182 R183 L184V120-L123 HydrophobicContact CB-CD1 4.31Å; V120-L123 HydrophobicContact CB-CD2 4.43Å; V120-L123 HydrophobicContact CB-CG 4.23Å; V120-L123 HydrophobicContact CG1-CD1 4.47Å; V120-L123 HydrophobicContact CG1-CD2 3.78Å; V120-L123 HydrophobicContact CG1-CG 3.89Å; V120-L132 HydrophobicContact CG1-CD1 4.37Å; V120-L132 HydrophobicContact CG2-CD1 4.19Å; V120-L132 HydrophobicContact CG2-CD2 4.24Å; V120-E154 CarbonylContact O-C 3.21Å; V120-E154 WeakPolarHBondContact O-CA 3.26Å; V120-G155 PolarHBondContact N-O 3.18Å; V120-G155 PolarHBondContact O-N 2.96Å; V120-I157 HydrophobicContact CG2-CD1 3.38Å; V120-I157 HydrophobicContact CG2-CG1 4.03Å; V120-I182 HydrophobicContact CG1-CB 3.76Å; V120-I182 HydrophobicContact CG1-CD1 3.93Å; V120-I182 HydrophobicContact CG1-CG1 4.47Å; V120-I182 HydrophobicContact CG1-CG2 4.09Å; V120-R183 CarbonylContact C-O 3.6Å; V120-R183 WeakPolarHBondContact CA-O 3.27Å; V120-L184 HydrophobicContact CB-CD2 4.26Å; V120-L184 HydrophobicContact CG1-CD2 4Å; V120-L184 HydrophobicContact CG2-CD2 3.62Å
121E86.3Confident77.8Confident64 Ų6476 Ų7630%0.29936%0.361SS..EExtended strand (participates in β ladder)trans-87.8156.7174.4-56.1179.3157.700110.1I119 L123 R183 V185I119-E121 HydrophobicContact CG2-CG 4.23Å; E121-L123 VanDerWaalsContact C-N 3.32Å; E121-L123 PolarHBondContact O-N 3.44Å; E121-R183 HydrophobicContact CB-CB 4.23Å; E121-R183 PolarHBondContact N-O 2.92Å; E121-R183 PolarHBondContact O-N 3.1Å; E121-R183 WeakPolarHBondContact OE2-CD 3.28Å; E121-R183 IonicContact OE2-CZ 2.64Å; E121-R183 IonicContact OE2-NE 3.6Å; E121-R183 IonicContact OE2-NH1 3.82Å; E121-R183 PolarHBondContact OE2-NH1 2.87Å; E121-V185 HydrophobicContact CG-CG2 4.18Å
122N82.5Confident79.3Confident81 Ų8172.3 Ų72.343%0.43334%0.337SS..SBendtrans57.832.1177.1-163.845.5000115.9N153 K181N122-N153 PolarHBondContact N-O 3.45Å; N122-K181 PolarHBondContact ND2-O 3.28Å
123L81.9Confident80.7Confident0 Ų069.9 Ų69.90%032%0.318CS..  trans-56147.1168-74.8171.1000111V120 E121 C127 L132 A147 N153 R180 I182V120-L123 HydrophobicContact CB-CD1 4.31Å; V120-L123 HydrophobicContact CB-CD2 4.43Å; V120-L123 HydrophobicContact CB-CG 4.23Å; V120-L123 HydrophobicContact CG1-CD1 4.47Å; V120-L123 HydrophobicContact CG1-CD2 3.78Å; V120-L123 HydrophobicContact CG1-CG 3.89Å; E121-L123 VanDerWaalsContact C-N 3.32Å; E121-L123 PolarHBondContact O-N 3.44Å; L123-C127 HydrophobicContact CD2-CB 4.14Å; L123-L132 HydrophobicContact CD1-CD2 4.05Å; L123-L132 HydrophobicContact CD2-CD1 3.83Å; L123-L132 HydrophobicContact CD2-CD2 4.42Å; L123-A147 HydrophobicContact CD1-CB 4.38Å; L123-N153 PolarHBondContact N-O 3.48Å; L123-N153 WeakPolarHBondContact O-CA 3.44Å; L123-N153 VanDerWaalsContact O-CB 3.25Å; L123-N153 WeakPolarHBondContact O-CB 3.44Å; L123-N153 PolarHBondContact O-OD1 2.86Å; L123-R180 PolarHBondContact O-NH1 2.88Å; L123-I182 HydrophobicContact CD2-CG2 3.79Å
124S77.9Confident82.2Confident11 Ų1163.8 Ų63.88%0.07730%0.302CS..  trans-65.3141.2164.5-1650000109.1R126 C127 H148 N178S124-R126 PolarHBondContact O-N 3.26Å; S124-C127 VanDerWaalsContact CB-SG 3.56Å; S124-C127 WeakPolarHBondContact O-CB 3.48Å; S124-C127 PolarHBondContact O-N 2.81Å; S124-H148 PolarHBondContact O-CE1 3.44Å; S124-N178 PolarHBondContact OG-O 2.94Å
125S74.8Confident83.1Confident78 Ų7864.8 Ų64.855%0.54530%0.304SS..THydrogen-bonded Turntrans-64.5-4.7176.654.10000113.9H148S125-H148 WeakPolarHBondContact CA-NE2 3.21Å
126R73.2Confident83.7Confident217 Ų21757.6 Ų57.682%0.81927%0.27SS*.THydrogen-bonded Turntrans-102.9-6.6174-54.9-175.771.2141.91.2113.3S124 S128S124-R126 PolarHBondContact O-N 3.26Å; R126-S128 PolarHBondContact O-N 3.19Å
127C77.8Confident83.8Confident4 Ų461.1 Ų61.13%0.02728%0.283CS..  trans-74.8116.2173.9-66.20000110.4L123 S124 H148 I177 N178L123-C127 HydrophobicContact CD2-CB 4.14Å; S124-C127 VanDerWaalsContact CB-SG 3.56Å; S124-C127 WeakPolarHBondContact O-CB 3.48Å; S124-C127 PolarHBondContact O-N 2.81Å; C127-H148 PolarHBondContact O-CE1 2.94Å; C127-H148 PolarHBondContact O-ND1 3.27Å; C127-I177 VanDerWaalsContact SG-CG2 3.59Å; C127-N178 PolarHBondContact SG-ND2 2.84Å
128S84.1Confident83.7Confident42 Ų4264.2 Ų64.229%0.29430%0.301SS..  trans-79.5170.2167.876.40000111.5R126 Q130 D131 L132R126-S128 PolarHBondContact O-N 3.19Å; S128-Q130 PolarHBondContact O-N 3.25Å; S128-Q130 WeakPolarHBondContact OG-CB 3.42Å; S128-Q130 PolarHBondContact OG-N 2.82Å; S128-Q130 VanDerWaalsContact OG-N 3.13Å; S128-D131 WeakPolarHBondContact CA-OD2 3.45Å; S128-D131 VanDerWaalsContact CB-OD2 3.25Å; S128-D131 WeakPolarHBondContact CB-OD2 3.41Å; S128-D131 PolarHBondContact N-OD2 2.65Å; S128-D131 PolarHBondContact OG-N 3.3Å; S128-D131 PolarHBondContact OG-OD2 2.89Å; S128-L132 WeakPolarHBondContact O-CB 3.34Å; S128-L132 PolarHBondContact O-N 3.01Å
129W86.9Confident83.4Confident126 Ų12664.8 Ų64.848%0.47731%0.305SS..Hα-helixtrans-66.7-17.8170.163.5-96.9000112.8K133 A147W129-K133 VanDerWaalsContact O-CB 3.24Å; W129-K133 WeakPolarHBondContact O-CB 3.3Å; W129-K133 PolarHBondContact O-N 3.02Å; W129-K133 VanDerWaalsContact O-N 3.08Å; W129-A147 HydrophobicContact CB-CB 4.12Å
130Q86.2Confident83.3Confident107 Ų10763.6 Ų63.650%0.530%0.304SS..Hα-helixtrans-75.6-52.8176.8-63.1-179.70.600110.1S128 L132 K133 D134S128-Q130 PolarHBondContact O-N 3.25Å; S128-Q130 WeakPolarHBondContact OG-CB 3.42Å; S128-Q130 PolarHBondContact OG-N 2.82Å; S128-Q130 VanDerWaalsContact OG-N 3.13Å; Q130-L132 PolarHBondContact O-N 2.82Å; Q130-K133 PolarHBondContact O-N 2.85Å; Q130-D134 PolarHBondContact O-N 3.3Å
131D86.9Confident83.1Confident70 Ų7067.9 Ų67.937%0.37432%0.324SS..Hα-helixtrans-54-44.8175-46.8-67000110.5S128 K133 D134 F135S128-D131 WeakPolarHBondContact CA-OD2 3.45Å; S128-D131 VanDerWaalsContact CB-OD2 3.25Å; S128-D131 WeakPolarHBondContact CB-OD2 3.41Å; S128-D131 PolarHBondContact N-OD2 2.65Å; S128-D131 PolarHBondContact OG-N 3.3Å; S128-D131 PolarHBondContact OG-OD2 2.89Å; D131-K133 VanDerWaalsContact C-N 3.34Å; D131-K133 PolarHBondContact O-N 2.81Å; D131-D134 PolarHBondContact O-N 2.97Å; D131-F135 VanDerWaalsContact O-CB 3.23Å; D131-F135 WeakPolarHBondContact O-CB 3.3Å; D131-F135 PolarHBondContact O-N 2.94Å
132L85.4Confident83.2Confident1 Ų165.2 Ų65.21%0.00531%0.312CS..Hα-helixtrans-63.8-37.6178.9-17058.1000112.7V120 L123 S128 Q130 M136 A147 I157 I177V120-L132 HydrophobicContact CG1-CD1 4.37Å; V120-L132 HydrophobicContact CG2-CD1 4.19Å; V120-L132 HydrophobicContact CG2-CD2 4.24Å; L123-L132 HydrophobicContact CD1-CD2 4.05Å; L123-L132 HydrophobicContact CD2-CD1 3.83Å; L123-L132 HydrophobicContact CD2-CD2 4.42Å; S128-L132 WeakPolarHBondContact O-CB 3.34Å; S128-L132 PolarHBondContact O-N 3.01Å; Q130-L132 PolarHBondContact O-N 2.82Å; L132-M136 HydrophobicContact CD1-CG 4.47Å; L132-M136 VanDerWaalsContact O-CB 3.26Å; L132-M136 WeakPolarHBondContact O-CB 3.36Å; L132-M136 WeakPolarHBondContact O-CG 3.43Å; L132-M136 PolarHBondContact O-N 2.73Å; L132-A147 HydrophobicContact CD2-CB 4.48Å; L132-I157 HydrophobicContact CD1-CD1 3.92Å; L132-I157 HydrophobicContact CD2-CD1 4.06Å; L132-I157 HydrophobicContact CD2-CG1 3.93Å; L132-I157 HydrophobicContact CG-CD1 3.78Å; L132-I157 HydrophobicContact CG-CG1 4.02Å; L132-I177 HydrophobicContact CD1-CD1 4.49Å
133K86.6Confident83.2Confident53 Ų5363.1 Ų63.123%0.2330%0.302CS..Hα-helixtrans-72.7-44.5177.7-175.6171.7-176.7174.20111.9W129 Q130 D131 M136 R137 V142 A145W129-K133 VanDerWaalsContact O-CB 3.24Å; W129-K133 WeakPolarHBondContact O-CB 3.3Å; W129-K133 PolarHBondContact O-N 3.02Å; W129-K133 VanDerWaalsContact O-N 3.08Å; Q130-K133 PolarHBondContact O-N 2.85Å; D131-K133 VanDerWaalsContact C-N 3.34Å; D131-K133 PolarHBondContact O-N 2.81Å; K133-M136 PolarHBondContact O-N 2.8Å; K133-R137 WeakPolarHBondContact O-CG 3.41Å; K133-R137 PolarHBondContact O-N 3.46Å; K133-V142 HydrophobicContact CD-CG1 4.45Å; K133-V142 WeakPolarHBondContact CE-O 3.43Å; K133-V142 HydrophobicContact CG-CB 4.12Å; K133-V142 HydrophobicContact CG-CG1 3.99Å; K133-A145 HydrophobicContact CB-CB 3.87Å; K133-A145 HydrophobicContact CD-CB 4.41Å; K133-A145 HydrophobicContact CG-CB 4.33Å
134D87.6Confident83.3Confident91 Ų9166.7 Ų66.749%0.48732%0.316SS..Hα-helixtrans-73.5-31.6-177.7-76-29.9000112.6Q130 D131 R137Q130-D134 PolarHBondContact O-N 3.3Å; D131-D134 PolarHBondContact O-N 2.97Å; D134-R137 VanDerWaalsContact OD1-CD 3.27Å; D134-R137 WeakPolarHBondContact OD1-CD 3.38Å; D134-R137 IonicContact OD1-CZ 2.85Å; D134-R137 IonicContact OD1-NE 3.82Å; D134-R137 IonicContact OD1-NH1 3.06Å; D134-R137 PolarHBondContact OD1-NH1 3.31Å
135F85.1Confident83.8Confident50 Ų5066.7 Ų66.722%0.21932%0.317CS..Hα-helixtrans-62-48.9166.1-171.2-107.6000111.7D131 R137 Q138 L172 T175 I177 I182D131-F135 VanDerWaalsContact O-CB 3.23Å; D131-F135 WeakPolarHBondContact O-CB 3.3Å; D131-F135 PolarHBondContact O-N 2.94Å; F135-R137 VanDerWaalsContact C-N 3.27Å; F135-R137 PolarHBondContact O-N 3.06Å; F135-Q138 WeakPolarHBondContact O-CB 3.13Å; F135-Q138 PolarHBondContact O-N 2.96Å; F135-L172 HydrophobicContact CD1-CD1 4.37Å; F135-L172 HydrophobicContact CE1-CB 3.9Å; F135-L172 HydrophobicContact CE1-CD1 4.26Å; F135-L172 HydrophobicContact CE1-CD2 3.79Å; F135-L172 HydrophobicContact CE1-CG 4.18Å; F135-L172 HydrophobicContact CZ-CD2 3.8Å; F135-T175 VanDerWaalsContact CE1-OG1 3.24Å; F135-T175 WeakPolarHBondContact CE1-OG1 3.39Å; F135-T175 HydrophobicContact CZ-CG2 4.24Å; F135-T175 WeakPolarHBondContact CZ-OG1 3.43Å; F135-I177 HydrophobicContact CB-CD1 4.23Å; F135-I177 HydrophobicContact CD1-CD1 3.34Å; F135-I177 HydrophobicContact CD1-CG1 4.11Å; F135-I177 HydrophobicContact CD2-CD1 4.31Å; F135-I177 HydrophobicContact CD2-CG1 4.43Å; F135-I177 HydrophobicContact CE1-CD1 3.64Å; F135-I177 HydrophobicContact CE1-CG1 4Å; F135-I177 HydrophobicContact CE2-CG1 4.37Å; F135-I177 HydrophobicContact CG-CD1 3.7Å; F135-I177 HydrophobicContact CG-CG1 4.3Å; F135-I177 HydrophobicContact CZ-CD1 4.27Å; F135-I177 HydrophobicContact CZ-CG1 4.16Å; F135-I182 HydrophobicContact CE1-CD1 4.2Å
136M84.2Confident84.2Confident0 Ų064.6 Ų64.60%030%0.299CS..Hα-helixtrans-77.5-12.2-173.4-66.3-79.6-89.500113.6L118 L132 K133 Q138 A139 G140 V142 I157 F159 A168 L172 L184L118-M136 HydrophobicContact CD1-CE 3.94Å; L132-M136 HydrophobicContact CD1-CG 4.47Å; L132-M136 VanDerWaalsContact O-CB 3.26Å; L132-M136 WeakPolarHBondContact O-CB 3.36Å; L132-M136 WeakPolarHBondContact O-CG 3.43Å; L132-M136 PolarHBondContact O-N 2.73Å; K133-M136 PolarHBondContact O-N 2.8Å; M136-Q138 PolarHBondContact O-N 3.46Å; M136-A139 PolarHBondContact O-N 2.92Å; M136-G140 PolarHBondContact O-N 3.36Å; M136-V142 HydrophobicContact CB-CG2 3.92Å; M136-I157 HydrophobicContact CB-CD1 4.33Å; M136-I157 HydrophobicContact CE-CD1 3.29Å; M136-I157 HydrophobicContact CG-CD1 3.65Å; M136-I157 HydrophobicContact SD-CD1 4.23Å; M136-F159 HydrophobicContact CB-CZ 4.09Å; M136-F159 HydrophobicContact CE-CE2 3.92Å; M136-F159 HydrophobicContact CE-CZ 3.84Å; M136-A168 HydrophobicContact CE-CB 3.8Å; M136-A168 HydrophobicContact SD-CB 4.22Å; M136-L172 HydrophobicContact CG-CD1 4.4Å; M136-L172 HydrophobicContact SD-CB 3.89Å; M136-L172 HydrophobicContact SD-CD1 3.39Å; M136-L172 WeakPolarHBondContact SD-CD1 3.4Å; M136-L172 HydrophobicContact SD-CG 4.28Å; M136-L184 HydrophobicContact CE-CD1 3.7Å; M136-L184 HydrophobicContact CE-CD2 3.56Å; M136-L184 HydrophobicContact CE-CG 4.31Å; M136-L184 HydrophobicContact SD-CD1 4.22Å; M136-L184 HydrophobicContact SD-CD2 4.5Å
137R84.8Confident84.6Confident160 Ų16055 Ų5560%0.60427%0.267SS*.THydrogen-bonded Turntrans-60.5-18.7162.3-80.6170.163.6-156.6-2.6113.5K133 D134 F135 A139 G140K133-R137 WeakPolarHBondContact O-CG 3.41Å; K133-R137 PolarHBondContact O-N 3.46Å; D134-R137 VanDerWaalsContact OD1-CD 3.27Å; D134-R137 WeakPolarHBondContact OD1-CD 3.38Å; D134-R137 IonicContact OD1-CZ 2.85Å; D134-R137 IonicContact OD1-NE 3.82Å; D134-R137 IonicContact OD1-NH1 3.06Å; D134-R137 PolarHBondContact OD1-NH1 3.31Å; F135-R137 VanDerWaalsContact C-N 3.27Å; F135-R137 PolarHBondContact O-N 3.06Å; R137-A139 PolarHBondContact O-N 3.49Å; R137-G140 WeakPolarHBondContact CA-O 3.45Å
138Q82.9Confident84.1Confident150 Ų15057.7 Ų57.770%0.70128%0.279SS*.THydrogen-bonded Turntrans-66.6-22.7171.1-170.4175.2-8.800112.7F135 M136 L172F135-Q138 WeakPolarHBondContact O-CB 3.13Å; F135-Q138 PolarHBondContact O-N 2.96Å; M136-Q138 PolarHBondContact O-N 3.46Å; Q138-L172 HydrophobicContact CB-CD1 4.5Å
139A81.9Confident83.1Confident12 Ų1261 Ų6110%0.09929%0.288CS..THydrogen-bonded Turntrans-99.6-31.117700000114.3M136 R137 R167 A168 L172M136-A139 PolarHBondContact O-N 2.92Å; R137-A139 PolarHBondContact O-N 3.49Å; A139-R167 HydrophobicContact CB-CB 4.26Å; A139-A168 HydrophobicContact CB-CB 3.6Å; A139-L172 HydrophobicContact CB-CD1 3.62Å; A139-L172 HydrophobicContact CB-CG 4.42Å
140G84.3Confident81.3Confident18 Ų1864 Ų6419%0.18631%0.307CS..SBendtrans163.7-160.6172.700000114.7M136 R137 V142M136-G140 PolarHBondContact O-N 3.36Å; R137-G140 WeakPolarHBondContact CA-O 3.45Å; G140-V142 PolarHBondContact O-N 3Å
141E84.9Confident79.8Confident91 Ų9166.8 Ų66.843%0.42531%0.313SS..  trans-80.8111.1-170.4-166.6177.7-177.200112.6R160E141-R160 HydrophobicContact CB-CB 4.15Å; E141-R160 PolarHBondContact O-N 3.14Å; E141-R160 IonicContact OE1-NH1 2.8Å; E141-R160 PolarHBondContact OE1-NH1 3.42Å; E141-R160 WeakPolarHBondContact OE2-CD 3.26Å; E141-R160 IonicContact OE2-CZ 2.65Å; E141-R160 IonicContact OE2-NE 3.54Å; E141-R160 IonicContact OE2-NH1 3.68Å; E141-R160 PolarHBondContact OE2-NH1 3.12Å
142V86.4Confident78.7Confident8 Ų868.1 Ų68.15%0.04832%0.324CS..EExtended strand (participates in β ladder)trans-87.2107.6177.5177.70000110.8K133 M136 G140 Y144 A145 I157 F159K133-V142 HydrophobicContact CD-CG1 4.45Å; K133-V142 WeakPolarHBondContact CE-O 3.43Å; K133-V142 HydrophobicContact CG-CB 4.12Å; K133-V142 HydrophobicContact CG-CG1 3.99Å; M136-V142 HydrophobicContact CB-CG2 3.92Å; G140-V142 PolarHBondContact O-N 3Å; V142-Y144 VanDerWaalsContact CG1-O 3.26Å; V142-Y144 WeakPolarHBondContact CG1-O 3.37Å; V142-A145 HydrophobicContact CG1-CB 4.03Å; V142-I157 HydrophobicContact CG1-CG2 3.75Å; V142-I157 HydrophobicContact CG2-CG2 4.09Å; V142-F159 HydrophobicContact CG2-CD1 4.09Å; V142-F159 HydrophobicContact CG2-CE1 3.65Å; V142-F159 HydrophobicContact CG2-CZ 4.1Å
143T84.3Confident78.1Confident37 Ų3770.4 Ų70.423%0.22734%0.336CS..EExtended strand (participates in β ladder)trans-69.9-41.4177.5-48.40000111.5P111 V112 E158 R160P111-T143 HydrophobicContact CB-CG2 4.46Å; V112-T143 HydrophobicContact CB-CG2 4.27Å; T143-E158 PolarHBondContact N-O 3.43Å; T143-R160 PolarHBondContact OG1-N 2.92Å
144Y83.8Confident77.9Confident74 Ų7470.8 Ų70.829%0.2934%0.339SS..EExtended strand (participates in β ladder)trans-144.2141.8-178.1178.1-110.5000110.6V142 D146 K149 I157 E158V142-Y144 VanDerWaalsContact CG1-O 3.26Å; V142-Y144 WeakPolarHBondContact CG1-O 3.37Å; Y144-D146 HydrophobicContact CE1-CB 4.05Å; Y144-D146 PolarHBondContact OH-OD2 2.58Å; Y144-K149 PolarHBondContact OH-NZ 2.73Å; Y144-I157 CarbonylContact O-C 3.51Å; Y144-I157 WeakPolarHBondContact O-CA 3.35Å; Y144-E158 HydrophobicContact CD1-CB 4.44Å; Y144-E158 PolarHBondContact N-O 2.89Å; Y144-E158 PolarHBondContact O-N 2.78Å
145A86.9Confident77.9Confident11 Ų1166.6 Ų66.69%0.09132%0.317CS..EExtended strand (participates in β ladder)trans-142.6141.5175.200000108.9K133 V142 V156K133-A145 HydrophobicContact CB-CB 3.87Å; K133-A145 HydrophobicContact CD-CB 4.41Å; K133-A145 HydrophobicContact CG-CB 4.33Å; V142-A145 HydrophobicContact CG1-CB 4.03Å; A145-V156 CarbonylContact C-O 3.43Å; A145-V156 WeakPolarHBondContact CA-O 3.23Å
146D84.1Confident78Confident34 Ų3464.8 Ų64.818%0.18231%0.31CS..EExtended strand (participates in β ladder)trans-149.3148.9179.5-159.4-13.7000109.1Y144 K149 G155 V156Y144-D146 HydrophobicContact CE1-CB 4.05Å; Y144-D146 PolarHBondContact OH-OD2 2.58Å; D146-K149 VanDerWaalsContact OD2-CD 3.3Å; D146-K149 WeakPolarHBondContact OD2-CD 3.28Å; D146-K149 VanDerWaalsContact OD2-CE 3.3Å; D146-K149 WeakPolarHBondContact OD2-CE 3.45Å; D146-K149 IonicContact OD2-NZ 2.82Å; D146-K149 PolarHBondContact OD2-NZ 3.47Å; D146-G155 WeakPolarHBondContact O-CA 3.23Å; D146-V156 HydrophobicContact CB-CB 4.44Å; D146-V156 PolarHBondContact N-O 2.75Å; D146-V156 PolarHBondContact O-N 3.06Å; D146-V156 VanDerWaalsContact O-O 3.11Å
147A81.2Confident78.2Confident16 Ų1664.8 Ų64.813%0.13231%0.31CS..EExtended strand (participates in β ladder)trans-141.9141.1-176.200000109.9L123 W129 L132L123-A147 HydrophobicContact CD1-CB 4.38Å; W129-A147 HydrophobicContact CB-CB 4.12Å; L132-A147 HydrophobicContact CD2-CB 4.48Å
148H67.9Low78.4Confident61 Ų6158 Ų5828%0.28229%0.285SS..SBendtrans65.642.7178.5-61.572.1000113.9S124 S125 C127 N153 E154S124-H148 PolarHBondContact O-CE1 3.44Å; S125-H148 WeakPolarHBondContact CA-NE2 3.21Å; C127-H148 PolarHBondContact O-CE1 2.94Å; C127-H148 PolarHBondContact O-ND1 3.27Å; H148-N153 PolarHBondContact CD2-N 2.96Å; H148-N153 PolarHBondContact NE2-N 2.81Å; H148-E154 WeakPolarHBondContact CA-O 3.47Å; H148-E154 PolarHBondContact N-O 2.96Å
149K61.9Low78.6Confident112 Ų11250.9 Ų50.949%0.48725%0.252SS..SBendtrans-81.4-41.4-166.3-162.1177.1-168.9130.20116.1Y144 D146Y144-K149 PolarHBondContact OH-NZ 2.73Å; D146-K149 VanDerWaalsContact OD2-CD 3.3Å; D146-K149 WeakPolarHBondContact OD2-CD 3.28Å; D146-K149 VanDerWaalsContact OD2-CE 3.3Å; D146-K149 WeakPolarHBondContact OD2-CE 3.45Å; D146-K149 IonicContact OD2-NZ 2.82Å; D146-K149 PolarHBondContact OD2-NZ 3.47Å
150E50Low78.8Confident189 Ų18958 Ų5888%0.88328%0.276SS*.SBendtrans-128.2-24.8173.3-73.7-165.1165.400112.9
151R54.1Low78.8Confident165 Ų16559 Ų5962%0.62328%0.281SS*.SBendtrans-132.8152.1174.3-73.2167.5167-172.5-0.6110.1E154R151-E154 HydrophobicContact CB-CB 4.31Å; R151-E154 HydrophobicContact CB-CG 4.17Å; R151-E154 WeakPolarHBondContact CD-OE1 3.36Å; R151-E154 WeakPolarHBondContact CD-OE2 3.34Å; R151-E154 IonicContact CZ-OE1 3.89Å; R151-E154 IonicContact NE-OE1 2.7Å; R151-E154 IonicContact NH1-OE1 3.44Å; R151-E154 PolarHBondContact NH1-OE1 3.44Å
152T63.5Low78.8Confident98 Ų9858.7 Ų58.760%0.60128%0.279SS*.THydrogen-bonded Turntrans-64.8147.6165.350.90000109.6E154T152-E154 VanDerWaalsContact C-N 3.25Å; T152-E154 PolarHBondContact O-N 2.84Å
153N73.6Confident78.9Confident48 Ų4861.6 Ų61.626%0.25730%0.3SS..THydrogen-bonded Turntrans69.48.9-177.3-28.1-72.4000115.7N122 L123 H148 R180N122-N153 PolarHBondContact N-O 3.45Å; L123-N153 PolarHBondContact N-O 3.48Å; L123-N153 WeakPolarHBondContact O-CA 3.44Å; L123-N153 VanDerWaalsContact O-CB 3.25Å; L123-N153 WeakPolarHBondContact O-CB 3.44Å; L123-N153 PolarHBondContact O-OD1 2.86Å; H148-N153 PolarHBondContact CD2-N 2.96Å; H148-N153 PolarHBondContact NE2-N 2.81Å; N153-R180 PolarHBondContact OD1-NH1 3.26Å
154E83Confident79.1Confident62 Ų6261 Ų6129%0.2930%0.295SS..  trans-118.3140.5174.7-71.3178.1-163.600111.7V120 H148 R151 T152V120-E154 CarbonylContact O-C 3.21Å; V120-E154 WeakPolarHBondContact O-CA 3.26Å; H148-E154 WeakPolarHBondContact CA-O 3.47Å; H148-E154 PolarHBondContact N-O 2.96Å; R151-E154 HydrophobicContact CB-CB 4.31Å; R151-E154 HydrophobicContact CB-CG 4.17Å; R151-E154 WeakPolarHBondContact CD-OE1 3.36Å; R151-E154 WeakPolarHBondContact CD-OE2 3.34Å; R151-E154 IonicContact CZ-OE1 3.89Å; R151-E154 IonicContact NE-OE1 2.7Å; R151-E154 IonicContact NH1-OE1 3.44Å; R151-E154 PolarHBondContact NH1-OE1 3.44Å; T152-E154 VanDerWaalsContact C-N 3.25Å; T152-E154 PolarHBondContact O-N 2.84Å
155G86.5Confident79.2Confident2 Ų257.5 Ų57.52%0.02128%0.281CS..EExtended strand (participates in β ladder)trans-141.6173.2-179.800000113.7I119 V120 D146I119-G155 WeakPolarHBondContact CA-O 3.42Å; V120-G155 PolarHBondContact N-O 3.18Å; V120-G155 PolarHBondContact O-N 2.96Å; D146-G155 WeakPolarHBondContact O-CA 3.23Å
156V88.1Confident79.3Confident13 Ų1363.3 Ų63.38%0.07930%0.304CS..EExtended strand (participates in β ladder)trans-140.4133.3-173.8171.20000110.4R117 L118 A145 D146R117-V156 HydrophobicContact CG-CG1 4.01Å; L118-V156 WeakPolarHBondContact O-CA 3.22Å; A145-V156 CarbonylContact C-O 3.43Å; A145-V156 WeakPolarHBondContact CA-O 3.23Å; D146-V156 HydrophobicContact CB-CB 4.44Å; D146-V156 PolarHBondContact N-O 2.75Å; D146-V156 PolarHBondContact O-N 3.06Å; D146-V156 VanDerWaalsContact O-O 3.11Å
157I88.6Confident79.4Confident0 Ų068.3 Ų68.30%032%0.321CS..EExtended strand (participates in β ladder)trans-132.8144.4178.6-57.4162.1000108.8R117 L118 V120 L132 M136 V142 Y144 F159R117-I157 CarbonylContact C-O 3.58Å; R117-I157 VanDerWaalsContact CA-O 3.28Å; R117-I157 WeakPolarHBondContact CA-O 3.3Å; L118-I157 PolarHBondContact N-O 2.89Å; L118-I157 PolarHBondContact O-N 3.17Å; V120-I157 HydrophobicContact CG2-CD1 3.38Å; V120-I157 HydrophobicContact CG2-CG1 4.03Å; L132-I157 HydrophobicContact CD1-CD1 3.92Å; L132-I157 HydrophobicContact CD2-CD1 4.06Å; L132-I157 HydrophobicContact CD2-CG1 3.93Å; L132-I157 HydrophobicContact CG-CD1 3.78Å; L132-I157 HydrophobicContact CG-CG1 4.02Å; M136-I157 HydrophobicContact CB-CD1 4.33Å; M136-I157 HydrophobicContact CE-CD1 3.29Å; M136-I157 HydrophobicContact CG-CD1 3.65Å; M136-I157 HydrophobicContact SD-CD1 4.23Å; V142-I157 HydrophobicContact CG1-CG2 3.75Å; V142-I157 HydrophobicContact CG2-CG2 4.09Å; Y144-I157 CarbonylContact O-C 3.51Å; Y144-I157 WeakPolarHBondContact O-CA 3.35Å; I157-F159 HydrophobicContact CG2-CD2 4.03Å; I157-F159 HydrophobicContact CG2-CE2 3.66Å; I157-F159 HydrophobicContact CG2-CZ 4.11Å
158E87.8Confident79.8Confident18 Ų1867.5 Ų67.58%0.08431%0.314CS..EExtended strand (participates in β ladder)trans-129.2119.1177.3-135.9-163.975.100109.2R113 T114 R117 T143 Y144R113-E158 VanDerWaalsContact CA-OE1 3.24Å; R113-E158 WeakPolarHBondContact CA-OE1 3.37Å; T114-E158 PolarHBondContact N-OE1 3.31Å; T114-E158 PolarHBondContact OG1-OE1 3.08Å; R117-E158 HydrophobicContact CB-CG 4.32Å; T143-E158 PolarHBondContact N-O 3.43Å; Y144-E158 HydrophobicContact CD1-CB 4.44Å; Y144-E158 PolarHBondContact N-O 2.89Å; Y144-E158 PolarHBondContact O-N 2.78Å
159F88.4Confident80.7Confident0 Ų067.3 Ų67.30%031%0.314CS..EExtended strand (participates in β ladder)trans-95.5148-177.4-78-85.7000112.1T114 Y116 L118 M136 V142 I157 S161 D164 M165 A168T114-F159 WeakPolarHBondContact CG2-O 3.14Å; T114-F159 PolarHBondContact OG1-O 2.88Å; Y116-F159 PolarHBondContact O-N 2.87Å; L118-F159 HydrophobicContact CD1-CD2 4.47Å; L118-F159 HydrophobicContact CD1-CE2 3.85Å; L118-F159 HydrophobicContact CG-CE2 4.29Å; M136-F159 HydrophobicContact CB-CZ 4.09Å; M136-F159 HydrophobicContact CE-CE2 3.92Å; M136-F159 HydrophobicContact CE-CZ 3.84Å; V142-F159 HydrophobicContact CG2-CD1 4.09Å; V142-F159 HydrophobicContact CG2-CE1 3.65Å; V142-F159 HydrophobicContact CG2-CZ 4.1Å; I157-F159 HydrophobicContact CG2-CD2 4.03Å; I157-F159 HydrophobicContact CG2-CE2 3.66Å; I157-F159 HydrophobicContact CG2-CZ 4.11Å; F159-S161 PolarHBondContact O-N 3.28Å; F159-D164 HydrophobicContact CD1-CB 3.85Å; F159-D164 HydrophobicContact CE1-CB 4.46Å; F159-D164 HydrophobicContact CG-CB 4.48Å; F159-M165 HydrophobicContact CB-CB 4.12Å; F159-M165 HydrophobicContact CD2-CB 3.93Å; F159-M165 HydrophobicContact CD2-CG 4.13Å; F159-M165 HydrophobicContact CG-CB 4.18Å; F159-A168 HydrophobicContact CE1-CB 4.32Å; F159-A168 HydrophobicContact CE2-CB 3.81Å; F159-A168 HydrophobicContact CZ-CB 3.48Å; F159-A168 VanDerWaalsContact CZ-CB 3.48Å
160R84.7Confident81.8Confident160 Ų16067.7 Ų67.760%0.60432%0.322SS*.SBendtrans-64.3-25.4174.3-167.5176.6-179.3174.61.3113.2E141 T143E141-R160 HydrophobicContact CB-CB 4.15Å; E141-R160 PolarHBondContact O-N 3.14Å; E141-R160 IonicContact OE1-NH1 2.8Å; E141-R160 PolarHBondContact OE1-NH1 3.42Å; E141-R160 WeakPolarHBondContact OE2-CD 3.26Å; E141-R160 IonicContact OE2-CZ 2.65Å; E141-R160 IonicContact OE2-NE 3.54Å; E141-R160 IonicContact OE2-NH1 3.68Å; E141-R160 PolarHBondContact OE2-NH1 3.12Å; T143-R160 PolarHBondContact OG1-N 2.92Å
161S85.4Confident83.5Confident41 Ų4165.8 Ų65.829%0.28731%0.31SS..  trans-140.4142.4-174.6-177.90000112.8F159 S163 D164 M165F159-S161 PolarHBondContact O-N 3.28Å; S161-S163 PolarHBondContact O-N 2.82Å; S161-S163 PolarHBondContact OG-N 3Å; S161-D164 PolarHBondContact O-N 2.84Å; S161-M165 PolarHBondContact O-N 2.94Å
162H84.1Confident84.9Confident84 Ų8458.1 Ų58.139%0.38928%0.282SS..Hα-helixtrans-56.7-34.7170.1179.2-92.8000112.5Y116 D164 M165 K166Y116-H162 HydrophobicContact CD1-CB 3.84Å; Y116-H162 HydrophobicContact CD2-CB 4.49Å; Y116-H162 HydrophobicContact CE1-CB 3.64Å; Y116-H162 HydrophobicContact CE2-CB 4.3Å; Y116-H162 HydrophobicContact CG-CB 4.28Å; H162-D164 VanDerWaalsContact C-N 3.3Å; H162-D164 PolarHBondContact O-N 2.95Å; H162-M165 PolarHBondContact O-N 3.3Å; H162-K166 WeakPolarHBondContact O-CB 3.2Å; H162-K166 PolarHBondContact O-N 3.39Å
163S88.3Confident86Confident69 Ų6957 Ų5748%0.48327%0.272SS..Hα-helixtrans-64.8-36.9179.1-58.60000112.1S161 R167S161-S163 PolarHBondContact O-N 2.82Å; S161-S163 PolarHBondContact OG-N 3Å; S163-R167 WeakPolarHBondContact O-CD 3.33Å; S163-R167 VanDerWaalsContact O-CG 3.24Å; S163-R167 WeakPolarHBondContact O-CG 3.37Å; S163-R167 PolarHBondContact O-N 2.84Å
164D88.8Confident86.4Confident24 Ų2456.2 Ų56.213%0.12828%0.275CS..Hα-helixtrans-77.1-40.9179.2-60.6-20.9000110.5F159 S161 H162 K166 R167 A168F159-D164 HydrophobicContact CD1-CB 3.85Å; F159-D164 HydrophobicContact CE1-CB 4.46Å; F159-D164 HydrophobicContact CG-CB 4.48Å; S161-D164 PolarHBondContact O-N 2.84Å; H162-D164 VanDerWaalsContact C-N 3.3Å; H162-D164 PolarHBondContact O-N 2.95Å; D164-K166 VanDerWaalsContact C-N 3.32Å; D164-K166 PolarHBondContact O-N 2.75Å; D164-R167 PolarHBondContact O-N 3.09Å; D164-R167 IonicContact OD1-NH1 3.65Å; D164-R167 PolarHBondContact OD1-NH1 2.85Å; D164-A168 WeakPolarHBondContact O-CB 3.28Å; D164-A168 PolarHBondContact O-N 3.01Å
165M86.8Confident86.4Confident1 Ų154.9 Ų54.91%0.00527%0.271CS..Hα-helixtrans-56.2-44.4170.1-172.5-175.677.100112.1Y116 L118 F159 S161 H162 A168 M169 E186Y116-M165 WeakPolarHBondContact CA-SD 3.1Å; L118-M165 HydrophobicContact CD1-CG 4.16Å; L118-M165 HydrophobicContact CD2-CG 3.49Å; L118-M165 VanDerWaalsContact CD2-CG 3.49Å; L118-M165 HydrophobicContact CD2-SD 3.83Å; L118-M165 HydrophobicContact CG-CG 3.74Å; L118-M165 HydrophobicContact CG-SD 4.41Å; F159-M165 HydrophobicContact CB-CB 4.12Å; F159-M165 HydrophobicContact CD2-CB 3.93Å; F159-M165 HydrophobicContact CD2-CG 4.13Å; F159-M165 HydrophobicContact CG-CB 4.18Å; S161-M165 PolarHBondContact O-N 2.94Å; H162-M165 PolarHBondContact O-N 3.3Å; M165-A168 WeakPolarHBondContact O-CB 3.21Å; M165-A168 PolarHBondContact O-N 3.04Å; M165-M169 PolarHBondContact O-N 3.32Å; M165-M169 VanDerWaalsContact O-N 3.09Å; M165-E186 HydrophobicContact CE-CG 3.82Å; M165-E186 HydrophobicContact SD-CG 4.24Å
166K87.7Confident86.3Confident132 Ų13259.4 Ų59.457%0.57430%0.295SS*.Hα-helixtrans-66.7-43.5177.1-170.8-178.2178-172.50111.5H162 D164 A168 M169 D170H162-K166 WeakPolarHBondContact O-CB 3.2Å; H162-K166 PolarHBondContact O-N 3.39Å; D164-K166 VanDerWaalsContact C-N 3.32Å; D164-K166 PolarHBondContact O-N 2.75Å; K166-A168 PolarHBondContact O-N 2.87Å; K166-M169 PolarHBondContact O-N 2.86Å; K166-D170 VanDerWaalsContact O-CB 3.24Å; K166-D170 WeakPolarHBondContact O-CB 3.47Å; K166-D170 PolarHBondContact O-N 2.74Å
167R88.1Confident85.8Confident139 Ų13959.5 Ų59.553%0.52530%0.295SS..Hα-helixtrans-59.1-34.2173.7-76.5164.3170.8172.7-7.6112.4A139 S163 D164 K171A139-R167 HydrophobicContact CB-CB 4.26Å; S163-R167 WeakPolarHBondContact O-CD 3.33Å; S163-R167 VanDerWaalsContact O-CG 3.24Å; S163-R167 WeakPolarHBondContact O-CG 3.37Å; S163-R167 PolarHBondContact O-N 2.84Å; D164-R167 PolarHBondContact O-N 3.09Å; D164-R167 IonicContact OD1-NH1 3.65Å; D164-R167 PolarHBondContact OD1-NH1 2.85Å; R167-K171 WeakPolarHBondContact O-CB 3.21Å; R167-K171 PolarHBondContact O-N 3.21Å; R167-K171 VanDerWaalsContact O-N 3.08Å
168A87.9Confident85Confident0 Ų064 Ų640%032%0.319CS..Hα-helixtrans-67.5-50.6175.700000111L118 M136 A139 F159 D164 M165 K166 D170 K171 L172 L184L118-A168 HydrophobicContact CD1-CB 4.12Å; M136-A168 HydrophobicContact CE-CB 3.8Å; M136-A168 HydrophobicContact SD-CB 4.22Å; A139-A168 HydrophobicContact CB-CB 3.6Å; F159-A168 HydrophobicContact CE1-CB 4.32Å; F159-A168 HydrophobicContact CE2-CB 3.81Å; F159-A168 HydrophobicContact CZ-CB 3.48Å; F159-A168 VanDerWaalsContact CZ-CB 3.48Å; D164-A168 WeakPolarHBondContact O-CB 3.28Å; D164-A168 PolarHBondContact O-N 3.01Å; M165-A168 WeakPolarHBondContact O-CB 3.21Å; M165-A168 PolarHBondContact O-N 3.04Å; K166-A168 PolarHBondContact O-N 2.87Å; A168-D170 VanDerWaalsContact C-N 3.26Å; A168-D170 PolarHBondContact O-N 3Å; A168-K171 PolarHBondContact O-N 3.23Å; A168-L172 HydrophobicContact CB-CD1 4.44Å; A168-L172 WeakPolarHBondContact O-CA 3.37Å; A168-L172 VanDerWaalsContact O-CB 3.26Å; A168-L172 WeakPolarHBondContact O-CB 3.4Å; A168-L172 PolarHBondContact O-N 3.42Å; A168-L184 HydrophobicContact CB-CD1 4.37Å; A168-L184 VanDerWaalsContact O-CD1 3.26Å; A168-L184 WeakPolarHBondContact O-CD1 3.48Å
169M87.5Confident84.5Confident57 Ų5766.6 Ų66.628%0.28135%0.351SS..Hα-helixtrans-63.1-30.6175.7-63.8-156.9-58.800113.4L118 M165 K166 D173 L184 E186L118-M169 HydrophobicContact CD1-CG 3.82Å; L118-M169 HydrophobicContact CD2-CG 3.82Å; L118-M169 HydrophobicContact CD2-SD 3.68Å; M165-M169 PolarHBondContact O-N 3.32Å; M165-M169 VanDerWaalsContact O-N 3.09Å; K166-M169 PolarHBondContact O-N 2.86Å; M169-D173 VanDerWaalsContact O-CB 3.27Å; M169-D173 WeakPolarHBondContact O-CB 3.33Å; M169-L184 HydrophobicContact CG-CB 4.08Å; M169-E186 HydrophobicContact CE-CB 4.09Å; M169-E186 HydrophobicContact SD-CB 4.01Å
170D85.9Confident84.2Confident120 Ų12070.6 Ų70.664%0.64237%0.366SS*.Hα-helixtrans-74.4-33179.8-174.1-107.1000113.5K166 A168K166-D170 VanDerWaalsContact O-CB 3.24Å; K166-D170 WeakPolarHBondContact O-CB 3.47Å; K166-D170 PolarHBondContact O-N 2.74Å; A168-D170 VanDerWaalsContact C-N 3.26Å; A168-D170 PolarHBondContact O-N 3Å
171K84.4Confident84.2Confident148 Ų14868.4 Ų68.464%0.64336%0.361SS*.Hα-helixtrans-119.4-21.4-171-61-169.1175-166.30115.9R167 A168 T175R167-K171 WeakPolarHBondContact O-CB 3.21Å; R167-K171 PolarHBondContact O-N 3.21Å; R167-K171 VanDerWaalsContact O-N 3.08Å; A168-K171 PolarHBondContact O-N 3.23Å; K171-T175 WeakPolarHBondContact O-CG2 3.07Å
172L83.1Confident84.3Confident5 Ų566.5 Ų66.53%0.02635%0.348CS..THydrogen-bonded Turntrans-115.4-5.4-171.6-54.6-178.6000112.3F135 M136 Q138 A139 A168 T175 I182 L184F135-L172 HydrophobicContact CD1-CD1 4.37Å; F135-L172 HydrophobicContact CE1-CB 3.9Å; F135-L172 HydrophobicContact CE1-CD1 4.26Å; F135-L172 HydrophobicContact CE1-CD2 3.79Å; F135-L172 HydrophobicContact CE1-CG 4.18Å; F135-L172 HydrophobicContact CZ-CD2 3.8Å; M136-L172 HydrophobicContact CG-CD1 4.4Å; M136-L172 HydrophobicContact SD-CB 3.89Å; M136-L172 HydrophobicContact SD-CD1 3.39Å; M136-L172 WeakPolarHBondContact SD-CD1 3.4Å; M136-L172 HydrophobicContact SD-CG 4.28Å; Q138-L172 HydrophobicContact CB-CD1 4.5Å; A139-L172 HydrophobicContact CB-CD1 3.62Å; A139-L172 HydrophobicContact CB-CG 4.42Å; A168-L172 HydrophobicContact CB-CD1 4.44Å; A168-L172 WeakPolarHBondContact O-CA 3.37Å; A168-L172 VanDerWaalsContact O-CB 3.26Å; A168-L172 WeakPolarHBondContact O-CB 3.4Å; A168-L172 PolarHBondContact O-N 3.42Å; L172-T175 PolarHBondContact O-OG1 3.45Å; L172-I182 WeakPolarHBondContact O-CD1 3.38Å; L172-L184 HydrophobicContact CB-CD1 3.97Å
173D86.6Confident84.4Confident73 Ų7369.2 Ų69.239%0.3935%0.354SS..THydrogen-bonded Turntrans-69.1141.4165.5-169.344.8000110.8M169 T175 R183 L184M169-D173 VanDerWaalsContact O-CB 3.27Å; M169-D173 WeakPolarHBondContact O-CB 3.33Å; D173-T175 PolarHBondContact O-N 2.79Å; D173-R183 WeakPolarHBondContact OD1-CA 3.42Å; D173-L184 HydrophobicContact CB-CB 4.28Å; D173-L184 HydrophobicContact CB-CD1 4.45Å; D173-L184 HydrophobicContact CB-CG 4.45Å; D173-L184 PolarHBondContact OD1-N 2.93Å
174G81.9Confident84.3Confident32 Ų3266.4 Ų66.433%0.3333%0.334SS..THydrogen-bonded Turntrans714.5-179.300000116.1K181 I182G174-K181 WeakPolarHBondContact O-CG 2.84Å; G174-K181 PolarHBondContact O-NZ 2.99Å; G174-I182 VanDerWaalsContact CA-O 3.31Å; G174-I182 WeakPolarHBondContact CA-O 3.42Å; G174-I182 PolarHBondContact N-O 3.1Å
175T84.3Confident84.2Confident34 Ų3467.6 Ų67.621%0.20934%0.342CS..  trans-81.8142.1-177.958.70000113.1F135 K171 L172 D173 I177 K181 I182F135-T175 VanDerWaalsContact CE1-OG1 3.24Å; F135-T175 WeakPolarHBondContact CE1-OG1 3.39Å; F135-T175 HydrophobicContact CZ-CG2 4.24Å; F135-T175 WeakPolarHBondContact CZ-OG1 3.43Å; K171-T175 WeakPolarHBondContact O-CG2 3.07Å; L172-T175 PolarHBondContact O-OG1 3.45Å; D173-T175 PolarHBondContact O-N 2.79Å; T175-I177 PolarHBondContact O-N 2.78Å; T175-K181 CarbonylContact O-C 3.57Å; T175-K181 VanDerWaalsContact O-CA 3.31Å; T175-K181 WeakPolarHBondContact O-CA 3.44Å; T175-I182 WeakPolarHBondContact O-CG1 3.38Å; T175-I182 PolarHBondContact O-N 2.77Å
176D83.8Confident84.2Confident98 Ų9870 Ų7052%0.52435%0.353SS..EExtended strand (participates in β ladder)trans-82.9100.7-175.7-63.4-88.1000112.7R180 K181D176-R180 CarbonylContact C-O 3.59Å; D176-R180 WeakPolarHBondContact CA-O 3.33Å; D176-K181 WeakPolarHBondContact OD1-CG 3.46Å; D176-K181 IonicContact OD1-NZ 3.69Å; D176-K181 IonicContact OD2-NZ 2.7Å; D176-K181 PolarHBondContact OD2-NZ 2.58Å
177I78.6Confident83.7Confident14 Ų1465.6 Ų65.67%0.07234%0.336CS..EExtended strand (participates in β ladder)trans-101.3124170.4-47.7-176000109.1C127 L132 F135 T175 G179 R180 I182C127-I177 VanDerWaalsContact SG-CG2 3.59Å; L132-I177 HydrophobicContact CD1-CD1 4.49Å; F135-I177 HydrophobicContact CB-CD1 4.23Å; F135-I177 HydrophobicContact CD1-CD1 3.34Å; F135-I177 HydrophobicContact CD1-CG1 4.11Å; F135-I177 HydrophobicContact CD2-CD1 4.31Å; F135-I177 HydrophobicContact CD2-CG1 4.43Å; F135-I177 HydrophobicContact CE1-CD1 3.64Å; F135-I177 HydrophobicContact CE1-CG1 4Å; F135-I177 HydrophobicContact CE2-CG1 4.37Å; F135-I177 HydrophobicContact CG-CD1 3.7Å; F135-I177 HydrophobicContact CG-CG1 4.3Å; F135-I177 HydrophobicContact CZ-CD1 4.27Å; F135-I177 HydrophobicContact CZ-CG1 4.16Å; T175-I177 PolarHBondContact O-N 2.78Å; I177-G179 PolarHBondContact O-N 2.85Å; I177-R180 PolarHBondContact N-O 2.98Å; I177-R180 PolarHBondContact O-N 2.82Å; I177-R180 VanDerWaalsContact O-N 3.09Å; I177-I182 HydrophobicContact CB-CG2 4.11Å; I177-I182 HydrophobicContact CD1-CD1 3.71Å; I177-I182 HydrophobicContact CD1-CG1 4.04Å; I177-I182 HydrophobicContact CD1-CG2 3.81Å; I177-I182 HydrophobicContact CG1-CD1 4.41Å; I177-I182 HydrophobicContact CG1-CG1 4.22Å; I177-I182 HydrophobicContact CG1-CG2 3.91Å
178N70.5Confident82.7Confident94 Ų9467 Ų6750%0.50334%0.342SS..THydrogen-bonded Turntrans49.244178.2-70.3-42.2000113.3S124 C127S124-N178 PolarHBondContact OG-O 2.94Å; C127-N178 PolarHBondContact SG-ND2 2.84Å
179G78.3Confident81.2Confident74 Ų7470.5 Ų70.576%0.76336%0.364SS*.THydrogen-bonded Turntrans77.514.8177.500000115.6I177I177-G179 PolarHBondContact O-N 2.85Å
180R80.9Confident79.4Confident83 Ų8379.2 Ų79.231%0.31339%0.394SS..EExtended strand (participates in β ladder)trans-135135.7172.8-64.8-166.9-173.6162.1-5.2112.3L123 N153 D176 I177 I182L123-R180 PolarHBondContact O-NH1 2.88Å; N153-R180 PolarHBondContact OD1-NH1 3.26Å; D176-R180 CarbonylContact C-O 3.59Å; D176-R180 WeakPolarHBondContact CA-O 3.33Å; I177-R180 PolarHBondContact N-O 2.98Å; I177-R180 PolarHBondContact O-N 2.82Å; I177-R180 VanDerWaalsContact O-N 3.09Å; R180-I182 PolarHBondContact O-N 2.76Å
181K84.9Confident77.6Confident114 Ų11483 Ų8350%0.49641%0.405SS..EExtended strand (participates in β ladder)trans-65.4110.5168.2-64.3-172173.6-64.60110.1N122 G174 T175 D176N122-K181 PolarHBondContact ND2-O 3.28Å; G174-K181 WeakPolarHBondContact O-CG 2.84Å; G174-K181 PolarHBondContact O-NZ 2.99Å; T175-K181 CarbonylContact O-C 3.57Å; T175-K181 VanDerWaalsContact O-CA 3.31Å; T175-K181 WeakPolarHBondContact O-CA 3.44Å; D176-K181 WeakPolarHBondContact OD1-CG 3.46Å; D176-K181 IonicContact OD1-NZ 3.69Å; D176-K181 IonicContact OD2-NZ 2.7Å; D176-K181 PolarHBondContact OD2-NZ 2.58Å
182I88.5Confident75.7Confident1 Ų187.3 Ų87.31%0.00542%0.417CS..  trans-72.1155170.862.5152000110.2V120 L123 F135 L172 G174 T175 I177 R180 L184V120-I182 HydrophobicContact CG1-CB 3.76Å; V120-I182 HydrophobicContact CG1-CD1 3.93Å; V120-I182 HydrophobicContact CG1-CG1 4.47Å; V120-I182 HydrophobicContact CG1-CG2 4.09Å; L123-I182 HydrophobicContact CD2-CG2 3.79Å; F135-I182 HydrophobicContact CE1-CD1 4.2Å; L172-I182 WeakPolarHBondContact O-CD1 3.38Å; G174-I182 VanDerWaalsContact CA-O 3.31Å; G174-I182 WeakPolarHBondContact CA-O 3.42Å; G174-I182 PolarHBondContact N-O 3.1Å; T175-I182 WeakPolarHBondContact O-CG1 3.38Å; T175-I182 PolarHBondContact O-N 2.77Å; I177-I182 HydrophobicContact CB-CG2 4.11Å; I177-I182 HydrophobicContact CD1-CD1 3.71Å; I177-I182 HydrophobicContact CD1-CG1 4.04Å; I177-I182 HydrophobicContact CD1-CG2 3.81Å; I177-I182 HydrophobicContact CG1-CD1 4.41Å; I177-I182 HydrophobicContact CG1-CG1 4.22Å; I177-I182 HydrophobicContact CG1-CG2 3.91Å; R180-I182 PolarHBondContact O-N 2.76Å; I182-L184 HydrophobicContact CD1-CD2 4.03Å; I182-L184 HydrophobicContact CD1-CG 4.32Å
183R84.9Confident73.6Confident141 Ų14198.6 Ų98.653%0.53246%0.459SS..EExtended strand (participates in β ladder)trans-127.4131174-179.5179.3-175.8-131.39.3110.8V120 E121 D173V120-R183 CarbonylContact C-O 3.6Å; V120-R183 WeakPolarHBondContact CA-O 3.27Å; E121-R183 HydrophobicContact CB-CB 4.23Å; E121-R183 PolarHBondContact N-O 2.92Å; E121-R183 PolarHBondContact O-N 3.1Å; E121-R183 WeakPolarHBondContact OE2-CD 3.28Å; E121-R183 IonicContact OE2-CZ 2.64Å; E121-R183 IonicContact OE2-NE 3.6Å; E121-R183 IonicContact OE2-NH1 3.82Å; E121-R183 PolarHBondContact OE2-NH1 2.87Å; D173-R183 WeakPolarHBondContact OD1-CA 3.42Å
184L87.8Confident71.5Confident11 Ų11100.1 Ų100.16%0.05848%0.475CS..EExtended strand (participates in β ladder)trans-103.3123.1-174.8-63.9-179.5000111L118 V120 M136 A168 M169 L172 D173 I182L118-L184 HydrophobicContact CD1-CB 4.34Å; L118-L184 HydrophobicContact CD1-CD1 4.22Å; L118-L184 HydrophobicContact CD1-CD2 4.27Å; V120-L184 HydrophobicContact CB-CD2 4.26Å; V120-L184 HydrophobicContact CG1-CD2 4Å; V120-L184 HydrophobicContact CG2-CD2 3.62Å; M136-L184 HydrophobicContact CE-CD1 3.7Å; M136-L184 HydrophobicContact CE-CD2 3.56Å; M136-L184 HydrophobicContact CE-CG 4.31Å; M136-L184 HydrophobicContact SD-CD1 4.22Å; M136-L184 HydrophobicContact SD-CD2 4.5Å; A168-L184 HydrophobicContact CB-CD1 4.37Å; A168-L184 VanDerWaalsContact O-CD1 3.26Å; A168-L184 WeakPolarHBondContact O-CD1 3.48Å; M169-L184 HydrophobicContact CG-CB 4.08Å; L172-L184 HydrophobicContact CB-CD1 3.97Å; D173-L184 HydrophobicContact CB-CB 4.28Å; D173-L184 HydrophobicContact CB-CD1 4.45Å; D173-L184 HydrophobicContact CB-CG 4.45Å; D173-L184 PolarHBondContact OD1-N 2.93Å; I182-L184 HydrophobicContact CD1-CD2 4.03Å; I182-L184 HydrophobicContact CD1-CG 4.32Å
185V86.8Confident69.5Low49 Ų49109 Ų10930%0.29750%0.5SS..EExtended strand (participates in β ladder)trans-123.8127.6-179.7-178.40000109.2L118 I119 E121 D187L118-V185 CarbonylContact C-O 3.57Å; L118-V185 WeakPolarHBondContact CA-O 3.21Å; I119-V185 PolarHBondContact N-O 2.88Å; I119-V185 PolarHBondContact O-N 2.78Å; E121-V185 HydrophobicContact CG-CG2 4.18Å; V185-D187 PolarHBondContact O-N 2.79Å
186E84.9Confident67.5Low51 Ų51111.4 Ų111.424%0.23852%0.519CS..EExtended strand (participates in β ladder)trans-69.5109.9176.2-166.5-170.316600110.7L118 M165 M169 R188L118-E186 HydrophobicContact CD2-CB 4.25Å; L118-E186 HydrophobicContact CD2-CG 4.46Å; M165-E186 HydrophobicContact CE-CG 3.82Å; M165-E186 HydrophobicContact SD-CG 4.24Å; M169-E186 HydrophobicContact CE-CB 4.09Å; M169-E186 HydrophobicContact SD-CB 4.01Å; E186-R188 HydrophobicContact CB-CG 4.46Å; E186-R188 VanDerWaalsContact CD-CG 3.49Å; E186-R188 HydrophobicContact CG-CG 3.82Å; E186-R188 PolarHBondContact O-N 3.1Å; E186-R188 WeakPolarHBondContact OE1-CG 3.1Å; E186-R188 IonicContact OE1-CZ 3.61Å; E186-R188 IonicContact OE1-NE 2.81Å; E186-R188 PolarHBondContact OE1-NE 3.2Å; E186-R188 IonicContact OE1-NH2 3.52Å; E186-R188 PolarHBondContact OE1-NH2 3.09Å; E186-R188 IonicContact OE2-CZ 3.1Å; E186-R188 IonicContact OE2-NE 3.32Å; E186-R188 PolarHBondContact OE2-NE 3.04Å; E186-R188 IonicContact OE2-NH2 2.62Å; E186-R188 PolarHBondContact OE2-NH2 3.48Å
187D78Confident65.6Low40 Ų40109.2 Ų109.221%0.21452%0.52CS..  trans-7876.5169.9-179.442.2000109.4R117 I119 V185 P189R117-D187 HydrophobicContact CB-CB 4.28Å; R117-D187 VanDerWaalsContact CD-OD2 3.23Å; R117-D187 WeakPolarHBondContact CD-OD2 3.37Å; R117-D187 HydrophobicContact CG-CB 4.03Å; R117-D187 IonicContact CZ-OD2 2.69Å; R117-D187 IonicContact NE-OD2 2.72Å; R117-D187 PolarHBondContact NE-OD2 2.76Å; R117-D187 IonicContact NH1-OD2 3.19Å; R117-D187 PolarHBondContact NH1-OD2 3.26Å; R117-D187 PolarHBondContact O-N 2.68Å; I119-D187 HydrophobicContact CD1-CB 3.81Å; I119-D187 HydrophobicContact CG1-CB 3.99Å; V185-D187 PolarHBondContact O-N 2.79Å; D187-P189 WeakPolarHBondContact O-CD 3.09Å
188R67.1Low63.9Low169 Ų169113.3 Ų113.364%0.63855%0.549SS*.  trans-61.5107.2166.4-66.1-175.6179.6-131.1-18.5107.3E186 R190E186-R188 HydrophobicContact CB-CG 4.46Å; E186-R188 VanDerWaalsContact CD-CG 3.49Å; E186-R188 HydrophobicContact CG-CG 3.82Å; E186-R188 PolarHBondContact O-N 3.1Å; E186-R188 WeakPolarHBondContact OE1-CG 3.1Å; E186-R188 IonicContact OE1-CZ 3.61Å; E186-R188 IonicContact OE1-NE 2.81Å; E186-R188 PolarHBondContact OE1-NE 3.2Å; E186-R188 IonicContact OE1-NH2 3.52Å; E186-R188 PolarHBondContact OE1-NH2 3.09Å; E186-R188 IonicContact OE2-CZ 3.1Å; E186-R188 IonicContact OE2-NE 3.32Å; E186-R188 PolarHBondContact OE2-NE 3.04Å; E186-R188 IonicContact OE2-NH2 2.62Å; E186-R188 PolarHBondContact OE2-NH2 3.48Å; R188-R190 PolarHBondContact O-N 2.86Å
189P56.5Low62.2Low73 Ų73118.8 Ų118.847%0.47456%0.563SS.*  trans-61.5110.4-175.425.2-33.6000108D187 K191D187-P189 WeakPolarHBondContact O-CD 3.09Å; P189-K191 VanDerWaalsContact O-CA 3.32Å; P189-K191 WeakPolarHBondContact O-CA 3.15Å; P189-K191 PolarHBondContact O-N 2.91Å
190R50.2Low60.3Low239 Ų239120 Ų12090%0.90256%0.56SS**  trans-44.1101.9-170.7-78.1-174.7176.3-1790109.9R188 R192R188-R190 PolarHBondContact O-N 2.86Å; R190-R192 PolarHBondContact O-N 2.85Å
191K47.1Very low58.2Low200 Ų200126.2 Ų126.287%0.8758%0.583SS**  trans-43.7101.5-160.7-170.6173.2-170.6171.50108.8P189 R193P189-K191 VanDerWaalsContact O-CA 3.32Å; P189-K191 WeakPolarHBondContact O-CA 3.15Å; P189-K191 PolarHBondContact O-N 2.91Å; K191-R193 VanDerWaalsContact C-N 3.32Å; K191-R193 PolarHBondContact O-N 2.94Å
192R44.4Very low55.9Low239 Ų239125.9 Ų125.990%0.90260%0.595SS**  trans-59.8102.4-172.8-89.1-164.3175-141-1.2106.2R190 S194R190-R192 PolarHBondContact O-N 2.85Å; R192-S194 PolarHBondContact O-N 2.7Å
193R40.6Very low53.3Low242 Ų242137 Ų13791%0.91364%0.637SS**  trans-53.1106.5-176-129.9176.5-175.7154.90.2104.8K191 Y195K191-R193 VanDerWaalsContact C-N 3.32Å; K191-R193 PolarHBondContact O-N 2.94Å; R193-Y195 PolarHBondContact O-N 2.93Å
194S40.5Very low50.9Low104 Ų104135.7 Ų135.773%0.72765%0.65SS**  trans-61.7107.3-176.833.30000105.1R192 S196R192-S194 PolarHBondContact O-N 2.7Å; S194-S196 PolarHBondContact O-N 3.23Å
195Y40.9Very low48.4Very low218 Ų218146.8 Ų146.886%0.85569%0.691SS**  trans-72.271.5171.7-179.5-104000106.5R193 G197R193-Y195 PolarHBondContact O-N 2.93Å; Y195-G197 PolarHBondContact O-N 2.72Å
196S43Very low46Very low85 Ų85155.2 Ų155.259%0.59472%0.717SS**  trans-61.693.6164.254.10000105.2S194 S198S194-S196 PolarHBondContact O-N 3.23Å; S196-S198 PolarHBondContact O-N 2.85Å; S196-S198 PolarHBondContact O-OG 3.38Å
197G42.3Very low43.4Very low53 Ų53163.7 Ų163.755%0.54675%0.747SS.*  trans-68.862.617400000110.2Y195 R199Y195-G197 PolarHBondContact O-N 2.72Å; G197-R199 PolarHBondContact O-N 3.39Å
198S42.9Very low41.3Very low100 Ų100166.1 Ų166.170%0.69977%0.767SS**  trans-72.155.4178.943.80000110.8S196S196-S198 PolarHBondContact O-N 2.85Å; S196-S198 PolarHBondContact O-OG 3.38Å
199R36.3Very low39.7Very low208 Ų208168.7 Ų168.779%0.78578%0.777SS**  trans-10359.8171.5-152.5167.7-160167.87.5110.3G197 R201G197-R199 PolarHBondContact O-N 3.39Å; R199-R201 VanDerWaalsContact C-N 3.34Å; R199-R201 PolarHBondContact O-N 3.2Å
200S38.7Very low38.6Very low100 Ų100170.3 Ų170.370%0.69979%0.79SS**  trans-52.293.316533.20000109.9S202S200-S202 PolarHBondContact O-N 3.36Å
201R36.4Very low38Very low213 Ų213170.8 Ų170.880%0.80479%0.792SS**  trans-77.257.8176.5-85.9-177.3163.2158.4-5.5111.3R199 R203R199-R201 VanDerWaalsContact C-N 3.34Å; R199-R201 PolarHBondContact O-N 3.2Å; R201-R203 VanDerWaalsContact C-N 3.35Å; R201-R203 PolarHBondContact O-N 2.97Å
202S35.4Very low37.4Very low107 Ų107165.4 Ų165.475%0.74878%0.78SS**  trans-6988.1170.4-57.70000109.8S200S200-S202 PolarHBondContact O-N 3.36Å
203R35.3Very low36.9Very low234 Ų234161.1 Ų161.188%0.88377%0.77SS**  trans-124.377.8169.2-84.6-169.7171176.2-2.2110.9R201 R205R201-R203 VanDerWaalsContact C-N 3.35Å; R201-R203 PolarHBondContact O-N 2.97Å; R203-R205 PolarHBondContact O-N 3.29Å
204S34.5Very low36.7Very low115 Ų115160.6 Ų160.680%0.80477%0.767SS**  trans-65.7118.2159.743.90000109.6
205R35Very low36.2Very low244 Ų244161.1 Ų161.192%0.92177%0.771SS**  trans-121.2137.7155.7-80-171.5169.9179.5-4.5108.2R203R203-R205 PolarHBondContact O-N 3.29Å
206R35Very low35.9Very low225 Ų225155.1 Ų155.185%0.84976%0.761SS**  trans-87.6161.4-164.1-59.5173.8164.6177.9-6.9111.1
207R31.7Very low35.4Very low229 Ų229163 Ų16386%0.86478%0.778SS**  49.3117.2126.5-164.9172.8-158.4-178.17.8115.4
208S34.1Very low35Very low91 Ų91165.4 Ų165.464%0.63679%0.786SS**  cis-175-17933.660.80000115.6
209R33.9Very low34.5Very low224 Ų224172 Ų17285%0.84580%0.796SS**  trans70.977.8149-79.5174.8169.1133.2-3.8119.6
210S32.5Very low34.3Very low107 Ų107166.8 Ų166.875%0.74879%0.792SS**  28.6124.5116.161.60000120.3
211R36.7Very low34Very low249 Ų249173.3 Ų173.394%0.9480%0.801SS**  trans-146.2155.8132.1-106.8159.9-173.9161.70.9109.9
212S34.8Very low33.8Very low87 Ų87168.3 Ų168.361%0.60880%0.798SS**  trans-87.4-173.3-165.927.60000112.3
213H33.7Very low33.4Very low149 Ų149171.3 Ų171.369%0.6980%0.8SS**  cis-161.915134.9-59.7-105.1000114.7
214R36.8Very low33.3Very low230 Ų230164.3 Ų164.387%0.86879%0.787SS**  trans61.6133.6153.7-64.5165.7-174.3-109.20.3117.4
215S30.8Very low33.1Very low116 Ų116169.9 Ų169.981%0.81179%0.79SS**  cis76.2131.440.3-164.60000113.3
216S34.5Very low32.9Very low92 Ų92163.2 Ų163.264%0.64378%0.781SS**  cis-140.9171.41.375.50000109.7
217R33Very low32.7Very low251 Ų251164 Ų16495%0.94778%0.784SS**  cis97.936.114.2-143.9-168.9173.7-169.1-2.5119.4
218S32.8Very low32.8Very low103 Ų103158.7 Ų158.772%0.7278%0.782SS**  trans-142.6126.9162.538.40000110.6
219R33.2Very low32.7Very low237 Ų237166.4 Ų166.489%0.89480%0.797SS**  79.282.273.5-86.1-176.5168.1161.1-4.9115.8
220S31.2Very low32.7Very low100 Ų100160.8 Ų160.870%0.69979%0.792SS**  36121.6129.460.20000121.4
221R33.4Very low32.7Very low237 Ų237162.1 Ų162.189%0.89479%0.791SS**  -174.5119.6120.7-101.8157.7-179.9162.7-2.3114.9
222S30.6Very low32.5Very low107 Ų107159 Ų15975%0.74878%0.784SS**  trans21.2125.4140.756.70000123.9
223H28.6Very low32.3Very low171 Ų171165.4 Ų165.479%0.79280%0.795SS**  107.8150.2126.9-149.176.9000121.5
224S31.7Very low32.2Very low86 Ų86167.6 Ų167.660%0.60180%0.797SS**  trans62.7114.2166.835.30000121.7
225R30.4Very low31.9Very low233 Ų233164 Ų16488%0.87979%0.79SS**  28.5140.5117.2-62.4173.7179.4163.9-1.7118.7
226S32.2Very low31.7Very low103 Ų103165.8 Ų165.872%0.7279%0.785SS**  cis177.3152.4-4.8490000110.7
227R31Very low31.6Very low243 Ų243166.7 Ų166.792%0.91779%0.791SS**  trans-164.2144.1145.8-109.7154-172.5170.42.4113.4
228S33.9Very low31.4Very low116 Ų116165 Ų16581%0.81179%0.785SS**  trans47.9116.7155.6-48.40000121.4
229R30.5Very low31.3Very low254 Ų254165.1 Ų165.196%0.95879%0.786SS**  trans-127.3137.3159.9-77.7178.8170.6169.7-4.4110.4
230S33.8Very low31Very low106 Ų106165.1 Ų165.174%0.74179%0.786SS**  trans-160.5153.1170.846.20000108
231N32.2Very low31.2Very low135 Ų135165.8 Ų165.872%0.72279%0.791SS**  cis-135.6148-4.3-98.3-35.8000108.7
232K32.8Very low31Very low184 Ų184161.6 Ų161.680%0.878%0.781SS**  38.3116.892.2-65.7-179-175176.80113.8
233R31.8Very low31Very low220 Ų220166.9 Ų166.983%0.8379%0.785SS**  92.6108.153.2-90-165.8172.8-170.50.6114.4
234R31.3Very low31.1Very low196 Ų196169 Ų16974%0.7479%0.791SS**  trans66.8168.5161.8-43.7179.9177.6172.2-7.6115
235H31Very low31Very low154 Ų154170 Ų17071%0.71380%0.799SS**  cis-147.9149.411-96.3-84000112.6
236H25.9Very low31.1Very low154 Ų154171 Ų17171%0.71380%0.802SS**  trans42119.1138.1-172.793.7000124.5
237S32.6Very low31.1Very low111 Ų111171.3 Ų171.378%0.77681%0.805SS**  trans-166.4127143.153.60000109
238R28.1Very low31.2Very low215 Ų215169.9 Ų169.981%0.81181%0.805SS**  8595.877.9-76.4-173.7173.4173.6-3.2117.7
239S31Very low31.2Very low106 Ų106170.3 Ų170.374%0.74181%0.808SS**  73.4137.512866.80000125.7
240R27.1Very low31.4Very low237 Ų237161.9 Ų161.989%0.89480%0.801SS**  trans93.1152.6143.9-82.7175.6174177.9-2.6121.1
241S35.7Very low31.3Very low114 Ų114164.2 Ų164.280%0.79780%0.8SS**  trans75.7147.9-17986.40000117.4
242E28.8Very low31.4Very low149 Ų149167.3 Ų167.370%0.69680%0.801SS**  cis-151.9174.9-39.9-128.7-166.2136.800112.3
243R30Very low31.5Very low218 Ų218167.4 Ų167.482%0.82380%0.802SS**  trans-18.4131176.1-51.2173.2-148.9-140.3-2.5118.6
244K30.7Very low31.4Very low214 Ų214162.1 Ų162.193%0.9380%0.799SS**  -152147.7120.7-147.4161.4-171.1169.30112
245S31.3Very low31.5Very low108 Ų108164.9 Ų164.976%0.75581%0.809SS**  trans-109.7143.3-173.548.60000112.7
246R32.1Very low31.5Very low253 Ų253162.1 Ų162.196%0.95581%0.807SS**  trans-163.4155.1134.1-113.6170.3178.3156.90.7110.9
247S32.5Very low31.9Very low111 Ų111166.1 Ų166.178%0.77682%0.816SS**  trans-109.1152.5-16745.70000112.8
248K32.3Very low31.9Very low212 Ų212166 Ų16692%0.92281%0.811SS**  trans-151147.2134.2-114.8177.7-178.5-176.60109.9
249S33.7Very low32.1Very low125 Ų125162.9 Ų162.987%0.87481%0.81SS**  trans-90.8154.7-168.938.20000112.9
250G34.1Very low32Very low78 Ų78169.7 Ų169.780%0.80482%0.82SS**  trans-169.469.7-177.800000111.6
251E32.6Very low32.2Very low155 Ų155163.2 Ų163.272%0.72481%0.811SS**  trans-64.4141.2174.5-144.7-168.28900108.9
252R35.1Very low32Very low199 Ų199168.9 Ų168.975%0.75182%0.815SS**  -163.9148.966.3-92.2176.9174.1167.44.1117.3
253K33Very low32.2Very low186 Ų186167.3 Ų167.381%0.80982%0.82SS**  trans54.995.5147.5-67.1-173.4-179.9-178.60119.1
254S30.9Very low32.3Very low110 Ų110160.9 Ų160.977%0.76982%0.821SS**  trans-50.3160.2151.250.30000115.4
255R33.3Very low32.4Very low253 Ų253155.5 Ų155.596%0.95581%0.811SS**  -152.3151.7124.2-106.4161.7-172.9170.90.9110.2
256S30.3Very low32.4Very low97 Ų97158.6 Ų158.668%0.67881%0.813SS**  trans-130157.4-167.354.80000112
257R34.3Very low32.4Very low237 Ų237155.2 Ų155.289%0.89481%0.805SS**  trans175.295.4148.4-93.6147-169-161.51108.5
258T33.2Very low32.4Very low108 Ų108154.2 Ų154.266%0.66380%0.798SS**  68.7110.68460.40000116
259N31.4Very low32.4Very low150 Ų150153.8 Ų153.880%0.80280%0.796SS**  trans48.8117.6136.9-54.5-14.8000119.9
260R30.2Very low32.3Very low249 Ų249152.8 Ų152.894%0.9479%0.79SS**  -166.7160.587-112.6170177.9158.3-1114.3
261S30.4Very low32.1Very low102 Ų102161 Ų16171%0.71380%0.796SS**  trans-78.6151.1176.446.90000113.1
262R31.9Very low32.1Very low233 Ų233158.3 Ų158.388%0.87980%0.795SS**  -175.3129.6115.4-102.3167.8177171.1-2.2114.7
263S32.4Very low31.9Very low116 Ų116160.5 Ų160.581%0.81180%0.803SS**  trans18.6125.4142.155.10000121.4
264G31.7Very low31.9Very low82 Ų82156.5 Ų156.585%0.84580%0.799SS**  trans-167129.315700000110.2
265S32.8Very low31.9Very low102 Ų102159.4 Ų159.471%0.71380%0.8SS**  trans-119.8145.5-164.553.90000114.9
266H32.6Very low31.7Very low173 Ų173156.3 Ų156.380%0.80179%0.793SS**  trans47.7116.3151-58.5-34.6000120
267K31.7Very low31.9Very low181 Ų181155.5 Ų155.579%0.78779%0.788SS**  8897.363-172.3-163.2-179.7-178.50114.4
268S33Very low31.8Very low90 Ų90155.5 Ų155.563%0.62979%0.788SS**  trans55.3131.9150.772.70000120.9
269K32Very low31.9Very low203 Ų203155.1 Ų155.188%0.88379%0.79SS**  -171.6169.6107.8-105.3171.3-176.8178.40113.5
270S31.3Very low32Very low105 Ų105158.7 Ų158.773%0.73479%0.792SS**  trans-85162.1179.349.60000113.8
271R29.6Very low32.3Very low250 Ų250152.5 Ų152.594%0.94379%0.787SS**  trans-167.1-175.4139.9-105.1154.7-175.4179.8-1.4111.6
272S32.1Very low32.8Very low99 Ų99152.1 Ų152.169%0.69279%0.79SS**  trans-148.8164.9-149.755.60000115.3
273R31.3Very low32.9Very low245 Ų245146.6 Ų146.693%0.92578%0.777SS**  trans73.8157.3174.2-47.7174.3168.9167.9-4.9113.1
274S33.7Very low33.1Very low102 Ų102150.6 Ų150.671%0.71378%0.775SS**  cis-15915611.969.40000115.7
275Q31.1Very low33.3Very low171 Ų171156.1 Ų156.180%0.79978%0.776SS**  trans79.5148140.2-79.6-66-10.200124.6
276K29.6Very low33.2Very low188 Ų188155.9 Ų155.982%0.81777%0.774SS**  trans59.5145165.4-72.6-177.7171.3173.90120.3
277S33.6Very low33.2Very low80 Ų80156.9 Ų156.956%0.55978%0.776SS**  cis-174.6150.9-21.4540000113.4
278R31.3Very low33.2Very low237 Ų237152.9 Ų152.989%0.89477%0.771SS**  trans67.5153.1162.5-63.3158.7176.8171-4.3115.3
279S36.1Very low33.1Very low100 Ų100159.5 Ų159.570%0.69978%0.782SS**  cis-167.2164.6-1851.30000106.8
280R32.5Very low33.3Very low224 Ų224154.8 Ų154.885%0.84578%0.775SS**  cis-159.3167.136.3-64.2174.6161143.1-7.3110.4
281S38.2Very low33.3Very low119 Ų119159.8 Ų159.883%0.83278%0.783SS**  trans53.9139.1145.9-60.50000121.4
282A39.3Very low33.4Very low94 Ų94153.8 Ų153.878%0.77778%0.78SS**  cis-155.5170.7-4.100000113.4
283D35.5Very low33.4Very low117 Ų117161.2 Ų161.263%0.62679%0.793SS**  trans-48167.5171.3-73.8-63.2000117.4
284R36.4Very low33.5Very low200 Ų200155 Ų15576%0.75579%0.787SS**  cis-154.5134.81.7-127.4152.9-129.7176.418.7114
285K35Very low33.4Very low198 Ų198159.5 Ų159.586%0.86179%0.794SS**  36.7124126.3-160.5174-175.2177.30120.5
286S31.2Very low33.6Very low98 Ų98158.1 Ų158.169%0.68580%0.797SS**  trans-112.6171.9167.764.50000113.1
287K32.4Very low33.6Very low194 Ų194158.5 Ų158.584%0.84380%0.798SS**  trans74.5138173.8-64.2175-178.5175.40116.2
288S32.2Very low33.8Very low97 Ų97159.8 Ų159.868%0.67881%0.807SS**  cis-172.5162.7-5.452.10000114.3
289R31Very low33.8Very low228 Ų228156.4 Ų156.486%0.8680%0.802SS**  trans118.6129.3142.5-81.2-178.6163.6146.1-3.7118.6
290S35Very low33.8Very low105 Ų105162.7 Ų162.773%0.73481%0.81SS**  trans45.9104156.243.20000118.7
291K33.1Very low33.8Very low209 Ų209158.4 Ų158.491%0.90980%0.804SS**  70.685.770.4-76.2-164.2170-176.20114.8
292S30.9Very low33.7Very low125 Ų125157.7 Ų157.787%0.87480%0.799SS**  trans-69.3151.4154.6-46.10000110.9
293R32.5Very low33.4Very low254 Ų254163.2 Ų163.296%0.95880%0.8SS**  trans-112.5136.5163-94.1-177.8166.1177.1-4.5108.7
294S33.1Very low33.4Very low116 Ų116162.8 Ų162.881%0.81181%0.806SS**  trans-142.8132164.8530000109.5
295K32.4Very low33.1Very low196 Ų196164.6 Ų164.685%0.85281%0.812SS**  trans-167.2114.9153.4-112.6-157.7175.3-170.90110.9
296V34Very low33.1Very low142 Ų142160.3 Ų160.386%0.86181%0.807SS**  trans44.4161.5145.4-118.10000121.9
297K30.8Very low33.2Very low196 Ų196162.8 Ų162.885%0.85281%0.806SS**  trans-127.7128.9-168.3163.1-167.8171-171.90109.7
298S36.1Very low33.1Very low106 Ų106159.7 Ų159.774%0.74180%0.795SS**  trans-179.1138.6165.852.40000107.8
299E32.2Very low33.3Very low167 Ų167163.3 Ų163.378%0.7880%0.803SS**  cis-172.7171.1-16.3-128.1179.416600107.1
300R36.4Very low33.2Very low232 Ų232159.2 Ų159.288%0.87580%0.798SS**  trans71.9125.5179.9-45.7178.1-172.5-161.2-2.6113.1
301D31.3Very low33.2Very low134 Ų134160.5 Ų160.572%0.71780%0.801SS**  cis68.2122.741.7-148.44.9000110.5
302S37.3Very low33.1Very low104 Ų104154.2 Ų154.273%0.72780%0.796SS**  cis-139.8144.525.651.10000112.7
303R33.3Very low33.2Very low210 Ų210153.7 Ų153.779%0.79280%0.799SS**  67.4114.876.3-107.3177.2-177.7153.4-4116.4
304S34.1Very low33.2Very low107 Ų107145.2 Ų145.275%0.74879%0.791SS**  trans47.8123.8149.641.20000120.8
305R31.4Very low33.4Very low238 Ų238149.6 Ų149.690%0.89880%0.799SS**  83.7137.659.6-175.3-176.7-176.1179.93.1113.2
306S34.3Very low33.6Very low108 Ų108147 Ų14776%0.75579%0.794SS**  trans97.9153.4173.4-55.70000115.9
307K33.9Very low33.6Very low151 Ų151147.4 Ų147.466%0.65779%0.791SS**  cis-174.4142.2-25.8-179.1171.5-173.8-94.90108.9
308E29.9Very low33.7Very low129 Ų129143.3 Ų143.360%0.60378%0.779SS**  trans62.1124.9167-85134.7-147.500118.5
309M35.4Very low33.7Very low173 Ų173146.1 Ų146.185%0.85278%0.778SS**  81.3111.581.6-70.8-171.7-16600115
310D30.4Very low33.7Very low142 Ų142146.8 Ų146.876%0.75978%0.778SS**  167164.999.4-165-152.1000113
311V35.1Very low33.7Very low131 Ų131140.3 Ų140.379%0.79477%0.768SS**  trans38.6132.9165.5-75.50000122.8
312G30.1Very low33.8Very low78 Ų78145.9 Ų145.980%0.80478%0.779SS**  trans165.3105.8160.600000115
313A32.5Very low33.8Very low113 Ų113146 Ų14693%0.93478%0.779SS**  trans-61160.5-175.200000116.2
314G33.7Very low33.8Very low77 Ų77148 Ų14879%0.79479%0.787SS**  trans-174.915179.200000121.5
315E36.1Very low33.9Very low208 Ų208148.6 Ų148.697%0.97279%0.791SS**  trans55.3158.2167.9-94.6170.681.800121.9
316D36.4Very low34Very low140 Ų140142 Ų14275%0.74979%0.788SS**  trans-107.2152.7-159-145.3-50.8000113.8
317N35.3Very low34.2Very low152 Ų152142.5 Ų142.581%0.81379%0.791SS**  trans-114.999.7178.1-113.7-81.3000110.1
318N32.8Very low35.1Very low110 Ų110140.6 Ų140.659%0.58879%0.794SS**  trans-153.9120.2171.7-97.8-51.1000119.7
319K36.7Very low35.6Very low165 Ų165140.5 Ų140.572%0.71780%0.802SS**  trans69.3127.4130.5-76166.3-171.4122.20122.2
320K32.2Very low35.6Very low181 Ų181139.6 Ų139.679%0.78780%0.796SS**  trans79.897.3130.5-79.1-174.8170-179.80120.3
321S36.1Very low35.9Very low95 Ų95138.8 Ų138.866%0.66479%0.791SS**  43.2123.5110.369.30000120.2
322R33.7Very low35.8Very low252 Ų252135.3 Ų135.395%0.95178%0.782SS**  -166.3159.3117.7-106.4154.2178.2160.6-3.9111.8
323S36.8Very low36.2Very low105 Ų105140.2 Ų140.273%0.73478%0.781SS**  trans-96.5151.117149.10000111
324R32.9Very low36.5Very low254 Ų254142.2 Ų142.296%0.95877%0.771SS**  trans-172163.4144.6-104.6155.2-172.8-171.2-0.9111.1
325S37.1Very low36.6Very low119 Ų119144.8 Ų144.883%0.83276%0.763SS**  trans-109.8147.5-169.616.20000112.2
326A33Very low36.7Very low100 Ų100144.4 Ų144.483%0.82675%0.752SS**  trans-164.3140.1153.700000112
327S38.8Very low36.7Very low117 Ų117143.3 Ų143.382%0.81875%0.751SS**  trans-118.9169.8150.3-36.60000105.6
328P51.4Low36.7Very low112 Ų112140.2 Ų140.273%0.72775%0.746SS**  -153.8-171.851.341.7-19.4000117.1
329V40Very low36.9Very low126 Ų126144.6 Ų144.676%0.76476%0.76SS**  trans71.2145.4148.8107.80000116.5
330E37Very low36.8Very low155 Ų155141.6 Ų141.672%0.72476%0.76SS**  cis-156.2-170.9-0.2-142176.451.200107.5
331N35.7Very low36.9Very low125 Ų125137.1 Ų137.167%0.66876%0.756SS**  cis-155.6176.7-4.2-158.9-36.6000108.4
332G34.5Very low36.8Very low58 Ų58137.5 Ų137.560%0.59876%0.759SS**  trans95111.8171.100000113.4
333K38.2Very low36.8Very low181 Ų181137 Ų13779%0.78776%0.758SS**  66.6129.556.5-63.7-174.8166.2-1590113.4
334E37.9Very low37Very low154 Ų154137.4 Ų137.472%0.7276%0.76SS**  cis-141.2134.9-2.9-103.5153.291.700107.9
335E36.3Very low37.9Very low132 Ų132131.2 Ų131.262%0.61775%0.753SS**  57.9107.991.8-60.4-119.2130.100115
336R38.1Very low38Very low200 Ų200130.8 Ų130.876%0.75575%0.75SS**  84.3157.8106.7-71.2-168.8-148.7-121.31.3114.2
337T35.3Very low39Very low117 Ų117132 Ų13272%0.71875%0.749SS**  cis-154128.4-8.39.50000107.3
338A36.7Very low38.9Very low87 Ų87134.4 Ų134.472%0.71975%0.747SS**  77.1140.292.100000117.6
339K35.4Very low38.3Very low201 Ų201136.9 Ų136.987%0.87475%0.75SS**  trans70.5152171.7-78.2178.9177.8177.10116.1
340S34.9Very low38.3Very low103 Ų103138.9 Ų138.972%0.7276%0.756SS**  cis-165.8164.5-4.338.70000114.2
341A34.4Very low38.3Very low86 Ų86137.5 Ų137.571%0.71175%0.749SS**  trans88.6132.614400000122.2
342S34Very low38.3Very low103 Ų103140.8 Ų140.872%0.7275%0.752SS**  trans53.7117.8141.9640000121.9
343R35Very low38.4Very low243 Ų243148.4 Ų148.492%0.91776%0.763SS**  178.6136.797.5-97.8173.9170.8173.1-4112.6
344S40Very low38.4Very low112 Ų112143.6 Ų143.678%0.78375%0.752SS**  trans-88161.3147.8-47.80000108.2
345P51.1Low38.6Very low125 Ų125145.7 Ų145.781%0.81276%0.759SS**  -145.61718639.7-24.3000115.2
346S40.2Very low38.6Very low109 Ų109144 Ų14476%0.76276%0.762SS**  trans-84.6159.2163.5-43.50000111.2
347P54.7Low38.7Very low127 Ų127144.8 Ų144.883%0.82577%0.765SS**  trans-90.9158.4148.6-8.928000111.4
348Q35.4Very low38.9Very low166 Ų166145 Ų14578%0.77676%0.757SS**  trans-104.5160177-78.1176.3-106.600112.6
349E39.9Very low39.3Very low165 Ų165148.2 Ų148.277%0.77176%0.755SS**  trans11.4138.3137.2-55.5162.7107.900119.3
350D39.9Very low39.4Very low168 Ų168149.8 Ų149.890%0.89876%0.756SS**  trans-136.1164.5140.6-146.2-31.1000109.6
351E36.9Very low39.7Very low125 Ų125150.5 Ų150.558%0.58476%0.761SS**  trans-123.2-179.8-143.7-146.7-157.6129.400114.2
352R36.1Very low40Very low194 Ų194150.7 Ų150.773%0.73276%0.762SS**  trans74.8150153.9-69.1154.3-159.8-85.6-18.8118
353R35.2Very low40.2Very low218 Ų218150.8 Ų150.882%0.82376%0.763SS**  cis-171.6132.7-20.2-172.5-155.5175.8-158.31.4111.6
354S38.7Very low40.5Very low80 Ų80150.8 Ų150.856%0.55976%0.763SS**  trans43.4125.8152.170.90000122.5
355K41.3Very low40.7Very low199 Ų199150.8 Ų150.887%0.86576%0.763SS**  167.9153.5119.5-92.4166-177.1178.40109.3
356S37.5Very low40.6Very low96 Ų96151.3 Ų151.367%0.67176%0.763SS**  cis-179.7136-36.748.20000108.2
357R39.4Very low40.7Very low217 Ų217151.4 Ų151.482%0.81976%0.764SS**  trans54122.3146.3169.6-173158.8-176.5-7.7119
358E40.8Very low40.2Very low120 Ų120156.8 Ų156.856%0.56177%0.768SS**  -156.7153.3117.3-159.560.4141.500113.2
359K43.7Very low40.6Very low155 Ų155154.4 Ų154.467%0.67477%0.769SS**  trans-18.6153173.1-63.8149.1-168.4157.70119.1
360R38.3Very low40.9Very low234 Ų234158.7 Ų158.788%0.88378%0.779SS**  cis124.315412.1-119.2-173.4174.7-166.4-0.9109.6
361S40.6Very low40.9Very low119 Ų119155.4 Ų155.483%0.83277%0.769SS**  trans78.6152.7163.482.20000118.1
362A40.3Very low41.2Very low89 Ų89160.7 Ų160.774%0.73678%0.783SS**  cis-162.6161.8-28.300000111.6
363S39.3Very low41.4Very low106 Ų106156.4 Ų156.474%0.74178%0.783SS**  trans-22.7142.3166.7590000119.6
364R40.9Very low41.7Very low243 Ų243157 Ų15792%0.91779%0.786SS**  -165.4144.9110-111.4167176.6163.2-1.5114.1
365S45.2Very low41.8Very low112 Ų112157.8 Ų157.878%0.78379%0.791SS**  trans-88.3145167.346.10000110.6
366V47.4Very low41.9Very low135 Ų135159.1 Ų159.182%0.81879%0.79SS**  trans-136.5114.2159.4178.60000108.4
367S43.6Very low42.3Very low111 Ų111159.4 Ų159.478%0.77679%0.792SS**  trans-86.8139.4162.6500000109.3
368R43.8Very low42.6Very low241 Ų241153.4 Ų153.491%0.90979%0.79SS**  trans-155.8117.1155.1-119.3165.1-171.1175.42.7112.2
369S44.1Very low42.9Very low115 Ų115152.5 Ų152.580%0.80480%0.796SS**  trans-74.9151163.848.30000110.3
370R44.9Very low43.3Very low256 Ų256153.7 Ų153.797%0.96680%0.804SS**  trans-149.7145.1144.1-116.8173.1-176.5-173.6-1110.2
371S41.4Very low44Very low99 Ų99153.5 Ų153.569%0.69282%0.821SS**  trans-128.2178.2-177.958.20000108.9
372R42.6Very low44.2Very low235 Ų235155.2 Ų155.289%0.88782%0.82SS**  trans78.1144.3-177.4-53.3174.2176.6-174.4-2.4113.2
373S41.1Very low44.4Very low105 Ų105158.7 Ų158.773%0.73483%0.825SS**  cis-167.1171.8-12.346.10000112.6
374R41.1Very low44.6Very low230 Ų230161.6 Ų161.687%0.86883%0.829SS**  trans-7.8144.8134.7-69.2174.5178.8175-2.4115.1
375S40.9Very low44.9Very low96 Ų96156.8 Ų156.867%0.67182%0.824SS**  cis178.9173.79.842.10000113.3
376R43.7Very low44.9Very low227 Ų227159.6 Ų159.686%0.85783%0.827SS**  trans80.6111139.2-96.3179.3177-176.8-3.1120.9
377S44.4Very low44.7Very low102 Ų102161.3 Ų161.371%0.71383%0.827SS**  68.5143.1120.564.50000123.5
378A45.7Very low44.8Very low92 Ų92164.9 Ų164.976%0.7683%0.831SS**  trans72.6159.5157.500000116.9
379S47.5Very low44.8Very low100 Ų100159 Ų15970%0.69983%0.825SS**  cis-175.5145.6-30.9-88.90000107.1
380Q53.3Low44.9Very low180 Ų180162.7 Ų162.784%0.84183%0.827SS**  trans64.3163.4175.3-63.3174.9-98.100113.6
381D52.1Low44.9Very low230 Ų230154.2 Ų154.2100%1.2381%0.814SS**  cis-75.10-4.3-87.8-136.2000113.7

Retrieved 381 of 381 residues in 334.5 ms (Link to these results)

U.S. Privacy Notice - Disclaimer / Registrations / Copyright Statement - Linking Policy - Notice of Privacy Practices (HIPAA) - Notice of Non‑Discrimination
© Copyright 2026 St. Jude Children's Research Hospital, a not-for-profit, section 501(c)(3).