A0A096NQD2_PAPAN Loading...

BAF chromatin remodeling complex subunit BCL7B

AlphaFold DB (Q9BQE9), UniProt , Accession A0A096NQD2, Species PAPAN (Papio anubis, Olive baboon), Gene BCL7B, Length 202 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M56.8Low66.9Low247 Ų247141.5 Ų141.5100%1.21775%0.753SS**  085.40-60.9173.280.800108.5
2S67Low68.1Low133 Ų133135.4 Ų135.493%0.9373%0.73SS**  trans-161.4122.6-179.8-160.50000109.4
3G69.6Low69.4Low67 Ų67139.3 Ų139.369%0.69173%0.728SS**  trans159.2-0.7-176.400000116
4R66.2Low70.6Confident242 Ų242134.2 Ų134.291%0.91372%0.716SS**SBendtrans-84.8-16-177.1-69.4-176.6171.6178.2-2.8115
5S64.8Low71.8Confident99 Ų99134.5 Ų134.569%0.69271%0.709SS**SBendtrans-78-45.7-168.3-164.10000114.5R7 A8S5-R7 PolarHBondContact O-N 3.39Å; S5-R7 VanDerWaalsContact O-N 3.15Å; S5-A8 WeakPolarHBondContact O-CB 3.25Å; S5-A8 PolarHBondContact O-N 3.34Å
6V64.2Low73.1Confident122 Ų122130.1 Ų130.174%0.73969%0.686SS**Hα-helixtrans-61.4-33.3-172.9-174.60000112.4A8 T10V6-A8 VanDerWaalsContact C-N 3.33Å; V6-A8 PolarHBondContact O-N 3.47Å; V6-T10 PolarHBondContact O-OG1 3.46Å
7R63.4Low74.3Confident167 Ų167126.9 Ų126.963%0.6367%0.67SS**Hα-helixtrans-71.6-25.3179.9-171.7173.5-179.285.4-9.1113.5S5 R11S5-R7 PolarHBondContact O-N 3.39Å; S5-R7 VanDerWaalsContact O-N 3.15Å; R7-R11 WeakPolarHBondContact O-CG 3.09Å
8A70.6Confident75.4Confident63 Ų63124.7 Ų124.752%0.52166%0.657SS.*Hα-helixtrans-72.6-39.1-178.800000111.5S5 V6 S12S5-A8 WeakPolarHBondContact O-CB 3.25Å; S5-A8 PolarHBondContact O-N 3.34Å; V6-A8 VanDerWaalsContact C-N 3.33Å; V6-A8 PolarHBondContact O-N 3.47Å; A8-S12 PolarHBondContact O-N 2.99Å
9E68.5Low76.5Confident155 Ų155123.9 Ų123.972%0.72465%0.648SS**Hα-helixtrans-70-42-178.1-169.117287.600112.7R11 S12 R13E9-R11 PolarHBondContact O-N 3.22Å; E9-S12 PolarHBondContact O-N 2.9Å; E9-S12 PolarHBondContact O-OG 3.13Å; E9-R13 PolarHBondContact O-N 3.45Å
10T71.6Confident77.4Confident102 Ų102123.7 Ų123.763%0.62664%0.641SS**Hα-helixtrans-63.5-33.4179.1-40.40000112.4V6V6-T10 PolarHBondContact O-OG1 3.46Å
11R73.7Confident78.4Confident159 Ų159121.6 Ų121.660%0.663%0.634SS**Hα-helixtrans-72.9-31.6179.2-72.1178.6168.6-138.7-8.1112.6R7 E9R7-R11 WeakPolarHBondContact O-CG 3.09Å; E9-R11 PolarHBondContact O-N 3.22Å
12S81.5Confident80.2Confident69 Ų69115.2 Ų115.248%0.48360%0.602SS.*Hα-helixtrans-72.5-36.4-179.367.50000111.8A8 E9 K15 D16A8-S12 PolarHBondContact O-N 2.99Å; E9-S12 PolarHBondContact O-N 2.9Å; E9-S12 PolarHBondContact O-OG 3.13Å; S12-K15 CarbonylContact O-C 3.51Å; S12-K15 PolarHBondContact O-N 3.43Å; S12-D16 WeakPolarHBondContact O-CB 3.39Å; S12-D16 PolarHBondContact O-N 3.48Å
13R84.5Confident81.6Confident186 Ų186110.9 Ų110.970%0.70258%0.575SS**Hα-helixtrans-61.4-52.5179.8-169.6167.5-175.51761.3112.7E9 K15 D16 D17E9-R13 PolarHBondContact O-N 3.45Å; R13-K15 PolarHBondContact O-N 3.11Å; R13-D16 WeakPolarHBondContact O-CA 3.37Å; R13-D16 WeakPolarHBondContact O-CB 3.35Å; R13-D16 PolarHBondContact O-N 2.91Å; R13-D17 PolarHBondContact O-N 2.68Å
14A86.6Confident82.7Confident68 Ų68110 Ų11056%0.56256%0.561SS**Hα-helixtrans-57.3-37.4176.500000112.5D16 I18A14-D16 VanDerWaalsContact C-N 3.33Å; A14-I18 PolarHBondContact O-N 3.27Å
15K88.2Confident84.1Confident138 Ų138101.7 Ų101.760%0.653%0.534SS*.Hα-helixtrans-76-16.3175.5-175.8162.8173.4157.80113.5S12 R13 I18 K19S12-K15 CarbonylContact O-C 3.51Å; S12-K15 PolarHBondContact O-N 3.43Å; R13-K15 PolarHBondContact O-N 3.11Å; K15-I18 VanDerWaalsContact O-CG2 3.27Å; K15-I18 WeakPolarHBondContact O-CG2 3.5Å; K15-K19 WeakPolarHBondContact O-CG 3.47Å; K15-K19 PolarHBondContact O-NZ 3.43Å
16D92.8Very high85.5Confident65 Ų65102.4 Ų102.435%0.34853%0.526SS..Hα-helixtrans-83.8-42.3172.2-173.2-109.6000110.8S12 R13 A14 I18 K19 K20S12-D16 WeakPolarHBondContact O-CB 3.39Å; S12-D16 PolarHBondContact O-N 3.48Å; R13-D16 WeakPolarHBondContact O-CA 3.37Å; R13-D16 WeakPolarHBondContact O-CB 3.35Å; R13-D16 PolarHBondContact O-N 2.91Å; A14-D16 VanDerWaalsContact C-N 3.33Å; D16-I18 PolarHBondContact O-N 3.39Å; D16-K19 WeakPolarHBondContact O-CB 3.36Å; D16-K19 PolarHBondContact O-N 3.03Å; D16-K20 WeakPolarHBondContact O-CG 3.43Å; D16-K20 PolarHBondContact O-N 3.37Å; D16-K20 WeakPolarHBondContact OD1-CE 2.82Å; D16-K20 IonicContact OD1-NZ 2.72Å; D16-K20 PolarHBondContact OD1-NZ 2.95Å
17D93.8Very high86.9Confident76 Ų76103.5 Ų103.541%0.40652%0.521SS..Hα-helixtrans-57.8-45.4176-71.2-55.4000111.8R13 K19 K20 V21R13-D17 PolarHBondContact O-N 2.68Å; D17-K19 VanDerWaalsContact C-N 3.32Å; D17-K19 PolarHBondContact O-N 3.14Å; D17-K20 WeakPolarHBondContact O-CB 3.17Å; D17-K20 PolarHBondContact O-N 3.46Å; D17-V21 WeakPolarHBondContact O-CG2 3.33Å; D17-V21 PolarHBondContact O-N 3.45Å
18I93.9Very high88.4Confident86 Ų86100 Ų10044%0.44152%0.518SS..Hα-helixtrans-60.5-39.5174.4-172.961.5000112.5A14 K15 D16 V21 M22A14-I18 PolarHBondContact O-N 3.27Å; K15-I18 VanDerWaalsContact O-CG2 3.27Å; K15-I18 WeakPolarHBondContact O-CG2 3.5Å; D16-I18 PolarHBondContact O-N 3.39Å; I18-V21 PolarHBondContact O-N 3.45Å; I18-M22 HydrophobicContact CD1-CE 4.04Å; I18-M22 VanDerWaalsContact O-CG 3.32Å; I18-M22 WeakPolarHBondContact O-CG 3.31Å; I18-M22 PolarHBondContact O-N 3.42Å
19K95.3Very high89.5Confident111 Ų111106.6 Ų106.648%0.48353%0.529SS..Hα-helixtrans-67.1-39.1177.3-71.4-168.4-14085.90111.3K15 D16 D17 V21 M22 A23K15-K19 WeakPolarHBondContact O-CG 3.47Å; K15-K19 PolarHBondContact O-NZ 3.43Å; D16-K19 WeakPolarHBondContact O-CB 3.36Å; D16-K19 PolarHBondContact O-N 3.03Å; D17-K19 VanDerWaalsContact C-N 3.32Å; D17-K19 PolarHBondContact O-N 3.14Å; K19-V21 VanDerWaalsContact C-N 3.34Å; K19-M22 PolarHBondContact O-N 2.8Å; K19-A23 VanDerWaalsContact O-CB 3.32Å; K19-A23 WeakPolarHBondContact O-CB 3.36Å; K19-A23 PolarHBondContact O-N 3.43Å
20K95.7Very high90.7Very high119 Ų119102.9 Ų102.952%0.51751%0.511SS..Hα-helixtrans-60.7-43.9174.9-75.4168.6170.31530111.4D16 D17 A23 A24D16-K20 WeakPolarHBondContact O-CG 3.43Å; D16-K20 PolarHBondContact O-N 3.37Å; D16-K20 WeakPolarHBondContact OD1-CE 2.82Å; D16-K20 IonicContact OD1-NZ 2.72Å; D16-K20 PolarHBondContact OD1-NZ 2.95Å; D17-K20 WeakPolarHBondContact O-CB 3.17Å; D17-K20 PolarHBondContact O-N 3.46Å; K20-A23 PolarHBondContact O-N 3.44Å; K20-A24 WeakPolarHBondContact O-CB 3.39Å; K20-A24 PolarHBondContact O-N 3.46Å
21V97.4Very high91.8Very high79 Ų79102.8 Ų102.848%0.47950%0.499SS..Hα-helixtrans-61.6-49.8175.5171.90000110.6D17 I18 K19 A23 A24 I25D17-V21 WeakPolarHBondContact O-CG2 3.33Å; D17-V21 PolarHBondContact O-N 3.45Å; I18-V21 PolarHBondContact O-N 3.45Å; K19-V21 VanDerWaalsContact C-N 3.34Å; V21-A23 VanDerWaalsContact C-N 3.34Å; V21-A23 PolarHBondContact O-N 2.78Å; V21-A24 PolarHBondContact O-N 3.23Å; V21-A24 VanDerWaalsContact O-N 3.14Å; V21-I25 HydrophobicContact CG1-CD1 3.76Å; V21-I25 HydrophobicContact CG1-CG1 4.38Å; V21-I25 VanDerWaalsContact O-CG1 3.29Å; V21-I25 WeakPolarHBondContact O-CG1 3.42Å; V21-I25 PolarHBondContact O-N 3.14Å
22M95.7Very high92.8Very high113 Ų11399 Ų9956%0.55749%0.488SS*.Hα-helixtrans-58.8-44.9178.2-68.7-62.4177.600112I18 K19 A24 I25 E26I18-M22 HydrophobicContact CD1-CE 4.04Å; I18-M22 VanDerWaalsContact O-CG 3.32Å; I18-M22 WeakPolarHBondContact O-CG 3.31Å; I18-M22 PolarHBondContact O-N 3.42Å; K19-M22 PolarHBondContact O-N 2.8Å; M22-A24 VanDerWaalsContact C-N 3.34Å; M22-A24 PolarHBondContact O-N 3.42Å; M22-I25 PolarHBondContact O-N 3.48Å; M22-E26 WeakPolarHBondContact O-CB 3.01Å; M22-E26 PolarHBondContact O-N 2.89Å
23A94.7Very high93.5Very high43 Ų43100.6 Ų100.636%0.35549%0.486SS..Hα-helixtrans-65-35.2176.700000112.8K19 K20 V21 K27K19-A23 VanDerWaalsContact O-CB 3.32Å; K19-A23 WeakPolarHBondContact O-CB 3.36Å; K19-A23 PolarHBondContact O-N 3.43Å; K20-A23 PolarHBondContact O-N 3.44Å; V21-A23 VanDerWaalsContact C-N 3.34Å; V21-A23 PolarHBondContact O-N 2.78Å; A23-K27 VanDerWaalsContact O-CG 3.31Å; A23-K27 WeakPolarHBondContact O-CG 3.42Å; A23-K27 PolarHBondContact O-N 2.82Å
24A94.7Very high94Very high48 Ų4896.5 Ų96.540%0.39747%0.473SS..Hα-helixtrans-67.8-42.5174.700000111.6K20 V21 M22 E26 K27 V28K20-A24 WeakPolarHBondContact O-CB 3.39Å; K20-A24 PolarHBondContact O-N 3.46Å; V21-A24 PolarHBondContact O-N 3.23Å; V21-A24 VanDerWaalsContact O-N 3.14Å; M22-A24 VanDerWaalsContact C-N 3.34Å; M22-A24 PolarHBondContact O-N 3.42Å; A24-E26 VanDerWaalsContact C-N 3.33Å; A24-K27 WeakPolarHBondContact O-CB 2.94Å; A24-K27 PolarHBondContact O-N 3.11Å; A24-V28 PolarHBondContact O-N 3.17Å; A24-V28 VanDerWaalsContact O-N 3.12Å
25I94.8Very high94.5Very high68 Ų6899.2 Ų99.235%0.34947%0.469SS..Hα-helixtrans-62.7-43.8175.3-64.6165.7000110.2V21 M22 K27 V28 R29V21-I25 HydrophobicContact CG1-CD1 3.76Å; V21-I25 HydrophobicContact CG1-CG1 4.38Å; V21-I25 VanDerWaalsContact O-CG1 3.29Å; V21-I25 WeakPolarHBondContact O-CG1 3.42Å; V21-I25 PolarHBondContact O-N 3.14Å; M22-I25 PolarHBondContact O-N 3.48Å; I25-K27 VanDerWaalsContact C-N 3.28Å; I25-K27 PolarHBondContact O-N 3.2Å; I25-V28 PolarHBondContact O-N 3.04Å; I25-V28 VanDerWaalsContact O-N 3.12Å; I25-R29 HydrophobicContact CG2-CG 4.42Å; I25-R29 WeakPolarHBondContact O-CG 3.12Å; I25-R29 PolarHBondContact O-N 2.93Å
26E93.8Very high94.9Very high114 Ų11495.6 Ų95.653%0.53346%0.459SS..Hα-helixtrans-61.1-36.9177.4-173.8162.4-145.500112.2M22 A24 R29 K30M22-E26 WeakPolarHBondContact O-CB 3.01Å; M22-E26 PolarHBondContact O-N 2.89Å; A24-E26 VanDerWaalsContact C-N 3.33Å; E26-R29 PolarHBondContact O-N 3.38Å; E26-K30 WeakPolarHBondContact O-CG 3.46Å; E26-K30 PolarHBondContact O-N 2.84Å
27K92.7Very high95Very high145 Ų14596 Ų9663%0.6346%0.464SS*.Hα-helixtrans-60.9-46.5171.4-71.8169-174175.90112A23 A24 I25 R29 K30 W31A23-K27 VanDerWaalsContact O-CG 3.31Å; A23-K27 WeakPolarHBondContact O-CG 3.42Å; A23-K27 PolarHBondContact O-N 2.82Å; A24-K27 WeakPolarHBondContact O-CB 2.94Å; A24-K27 PolarHBondContact O-N 3.11Å; I25-K27 VanDerWaalsContact C-N 3.28Å; I25-K27 PolarHBondContact O-N 3.2Å; K27-R29 VanDerWaalsContact C-N 3.35Å; K27-K30 PolarHBondContact O-N 3.4Å; K27-W31 PolarHBondContact O-NE1 3.09Å
28V95.1Very high95.1Very high92 Ų9295.3 Ų95.356%0.55846%0.462SS*.Hα-helixtrans-66-38.1179.91760000111.4A24 I25 K30 W31A24-V28 PolarHBondContact O-N 3.17Å; A24-V28 VanDerWaalsContact O-N 3.12Å; I25-V28 PolarHBondContact O-N 3.04Å; I25-V28 VanDerWaalsContact O-N 3.12Å; V28-K30 PolarHBondContact O-N 2.87Å; V28-W31 WeakPolarHBondContact O-CB 3.43Å; V28-W31 PolarHBondContact O-N 3.35Å
29R93.7Very high94.9Very high202 Ų20294.3 Ų94.376%0.76247%0.473SS*.Hα-helixtrans-58.8-26.8175.6-81.1-173.1154.8100.66.7113.7I25 E26 K27 W31I25-R29 HydrophobicContact CG2-CG 4.42Å; I25-R29 WeakPolarHBondContact O-CG 3.12Å; I25-R29 PolarHBondContact O-N 2.93Å; E26-R29 PolarHBondContact O-N 3.38Å; K27-R29 VanDerWaalsContact C-N 3.35Å; R29-W31 VanDerWaalsContact C-N 3.34Å
30K93.6Very high94.8Very high78 Ų7897.6 Ų97.634%0.33950%0.496SS..THydrogen-bonded Turntrans-84.1-6.5178.4-69.2171.8169.2-164.90113.2E26 K27 V28 E32 V51 D53E26-K30 WeakPolarHBondContact O-CG 3.46Å; E26-K30 PolarHBondContact O-N 2.84Å; K27-K30 PolarHBondContact O-N 3.4Å; V28-K30 PolarHBondContact O-N 2.87Å; K30-E32 PolarHBondContact O-N 3.23Å; K30-V51 WeakPolarHBondContact O-CB 3.48Å; K30-V51 WeakPolarHBondContact O-CG2 3.29Å; K30-D53 VanDerWaalsContact CD-OD2 3.24Å; K30-D53 WeakPolarHBondContact CD-OD2 3.36Å; K30-D53 VanDerWaalsContact CE-OD2 3.29Å; K30-D53 WeakPolarHBondContact CE-OD2 3.5Å; K30-D53 IonicContact NZ-OD2 2.66Å; K30-D53 PolarHBondContact NZ-OD2 2.61Å
31W96Very high94.7Very high100 Ų10095.4 Ų95.438%0.37949%0.492SS..  trans-62.7139.9-178.6-73.126.6000110.7K27 V28 R29 W48 V49 P50K27-W31 PolarHBondContact O-NE1 3.09Å; V28-W31 WeakPolarHBondContact O-CB 3.43Å; V28-W31 PolarHBondContact O-N 3.35Å; R29-W31 VanDerWaalsContact C-N 3.34Å; W31-W48 HydrophobicContact CB-CB 4.39Å; W31-W48 HydrophobicContact CB-CE3 4.22Å; W31-W48 HydrophobicContact CE3-CB 3.68Å; W31-W48 VanDerWaalsContact CE3-O 3.23Å; W31-W48 HydrophobicContact CZ3-CB 4.43Å; W31-W48 WeakPolarHBondContact CZ3-O 3.32Å; W31-W48 VanDerWaalsContact O-CZ3 3.31Å; W31-W48 WeakPolarHBondContact O-CZ3 3.27Å; W31-V49 WeakPolarHBondContact CA-O 3.48Å; W31-P50 HydrophobicContact CD2-CG 4.31Å; W31-P50 HydrophobicContact CH2-CG 4.11Å; W31-P50 HydrophobicContact CZ2-CB 4.36Å; W31-P50 HydrophobicContact CZ2-CG 3.72Å
32E94.8Very high94.5Very high78 Ų7897.2 Ų97.236%0.36451%0.509SS..EExtended strand (participates in β ladder)trans-108.2140.1179.964.9179.3179.800110.7K30 K34 W48 V49 V51K30-E32 PolarHBondContact O-N 3.23Å; E32-K34 HydrophobicContact CG-CG 3.84Å; E32-K34 PolarHBondContact O-N 2.88Å; E32-K34 WeakPolarHBondContact OE1-CE 3.42Å; E32-K34 IonicContact OE1-NZ 3.74Å; E32-K34 WeakPolarHBondContact OE2-CE 3.34Å; E32-K34 IonicContact OE2-NZ 3.09Å; E32-K34 PolarHBondContact OE2-NZ 3.18Å; E32-K34 VanDerWaalsContact OE2-NZ 3.09Å; E32-W48 WeakPolarHBondContact O-CA 3.5Å; E32-V49 PolarHBondContact N-O 3.42Å; E32-V49 PolarHBondContact O-N 3.06Å; E32-V51 HydrophobicContact CB-CG2 3.5Å; E32-V51 HydrophobicContact CG-CG2 3.29Å
33K96.3Very high94.5Very high103 Ų10397.2 Ų97.245%0.44851%0.51SS..EExtended strand (participates in β ladder)trans-80.4111.3175-177.3-177.6168.682.40108.9F46 W48K33-F46 HydrophobicContact CD-CB 4.47Å; K33-F46 HydrophobicContact CD-CD1 4.01Å; K33-F46 HydrophobicContact CD-CE1 4.28Å; K33-F46 HydrophobicContact CD-CG 4.23Å; K33-F46 VanDerWaalsContact CE-CD1 3.48Å; K33-F46 VanDerWaalsContact CE-CD2 3.48Å; K33-F46 HydrophobicContact CG-CB 4.03Å; K33-F46 HydrophobicContact CG-CD1 3.5Å; K33-F46 HydrophobicContact CG-CE1 4.06Å; K33-F46 HydrophobicContact CG-CG 3.98Å; K33-F46 VanDerWaalsContact NZ-CB 3.3Å; K33-W48 HydrophobicContact CB-CD2 4.17Å; K33-W48 HydrophobicContact CB-CE3 3.94Å; K33-W48 HydrophobicContact CB-CH2 4.02Å; K33-W48 HydrophobicContact CB-CZ2 4.23Å; K33-W48 HydrophobicContact CB-CZ3 3.87Å; K33-W48 HydrophobicContact CD-CZ2 4.46Å
34K95.3Very high94.6Very high100 Ų100102.2 Ų102.244%0.43552%0.52SS..EExtended strand (participates in β ladder)trans-122.5149.5178.8-68.8-75179.6175.10112E32 V36 F46 K47 V49E32-K34 HydrophobicContact CG-CG 3.84Å; E32-K34 PolarHBondContact O-N 2.88Å; E32-K34 WeakPolarHBondContact OE1-CE 3.42Å; E32-K34 IonicContact OE1-NZ 3.74Å; E32-K34 WeakPolarHBondContact OE2-CE 3.34Å; E32-K34 IonicContact OE2-NZ 3.09Å; E32-K34 PolarHBondContact OE2-NZ 3.18Å; E32-K34 VanDerWaalsContact OE2-NZ 3.09Å; K34-V36 PolarHBondContact O-N 3.02Å; K34-F46 CarbonylContact O-C 3.58Å; K34-F46 WeakPolarHBondContact O-CA 2.97Å; K34-K47 PolarHBondContact N-O 2.86Å; K34-K47 PolarHBondContact O-N 3.36Å; K34-V49 HydrophobicContact CB-CG2 4.22Å
35W96.3Very high94.6Very high125 Ų125103.7 Ų103.747%0.47352%0.521SS..EExtended strand (participates in β ladder)trans-77.9109.9169.8-75.3115.8000110.3R44 I45 F46W35-R44 HydrophobicContact CB-CB 4.28Å; W35-R44 VanDerWaalsContact CB-NH2 3.32Å; W35-R44 HydrophobicContact CD2-CB 4.47Å; W35-R44 HydrophobicContact CE3-CB 3.89Å; W35-R44 WeakPolarHBondContact CZ3-O 3.29Å; W35-R44 PolarHBondContact O-NH2 3.32Å; W35-R44 VanDerWaalsContact O-NH2 3.11Å; W35-I45 CarbonylContact C-O 3.54Å; W35-I45 WeakPolarHBondContact CA-O 3.24Å; W35-F46 AromaticContact CD1-CE1 3.55Å; W35-F46 AromaticContact CD1-CZ 3.93Å; W35-F46 AromaticContact CD2-CD1 3.78Å; W35-F46 HydrophobicContact CD2-CD1 3.78Å; W35-F46 HydrophobicContact CD2-CD2 4.09Å; W35-F46 AromaticContact CD2-CE1 3.73Å; W35-F46 HydrophobicContact CD2-CE1 3.73Å; W35-F46 HydrophobicContact CD2-CE2 4.06Å; W35-F46 AromaticContact CD2-CG 4Å; W35-F46 HydrophobicContact CD2-CG 4Å; W35-F46 AromaticContact CD2-CZ 3.9Å; W35-F46 HydrophobicContact CD2-CZ 3.9Å; W35-F46 AromaticContact CE2-CD1 3.89Å; W35-F46 AromaticContact CE2-CD2 3.79Å; W35-F46 AromaticContact CE2-CE1 3.41Å; W35-F46 VanDerWaalsContact CE2-CE1 3.41Å; W35-F46 AromaticContact CE2-CE2 3.31Å; W35-F46 AromaticContact CE2-CZ 3.11Å; W35-F46 HydrophobicContact CE3-CD1 4.2Å; W35-F46 HydrophobicContact CE3-CD2 4.04Å; W35-F46 HydrophobicContact CE3-CE2 4.39Å; W35-F46 AromaticContact CE3-CG 3.98Å; W35-F46 HydrophobicContact CE3-CG 3.98Å; W35-F46 HydrophobicContact CG-CD1 4.02Å; W35-F46 AromaticContact CG-CE1 3.86Å; W35-F46 HydrophobicContact CG-CE1 3.86Å; W35-F46 HydrophobicContact CG-CZ 4.37Å; W35-F46 AromaticContact CH2-CD2 3.4Å; W35-F46 HydrophobicContact CH2-CD2 3.4Å; W35-F46 VanDerWaalsContact CH2-CD2 3.4Å; W35-F46 AromaticContact CH2-CE2 3.37Å; W35-F46 HydrophobicContact CH2-CE2 3.37Å; W35-F46 HydrophobicContact CH2-CG 4.19Å; W35-F46 HydrophobicContact CH2-CZ 4.11Å; W35-F46 HydrophobicContact CZ2-CD1 4.43Å; W35-F46 AromaticContact CZ2-CD2 3.49Å; W35-F46 HydrophobicContact CZ2-CD2 3.49Å; W35-F46 VanDerWaalsContact CZ2-CD2 3.49Å; W35-F46 HydrophobicContact CZ2-CE1 4.01Å; W35-F46 AromaticContact CZ2-CE2 2.94Å; W35-F46 HydrophobicContact CZ2-CE2 2.94Å; W35-F46 HydrophobicContact CZ2-CG 4.23Å; W35-F46 AromaticContact CZ2-CZ 3.27Å; W35-F46 HydrophobicContact CZ2-CZ 3.27Å; W35-F46 AromaticContact CZ3-CD2 3.69Å; W35-F46 HydrophobicContact CZ3-CD2 3.69Å; W35-F46 HydrophobicContact CZ3-CE2 4.07Å; W35-F46 HydrophobicContact CZ3-CG 4.06Å; W35-F46 AromaticContact NE1-CE1 3.26Å; W35-F46 VanDerWaalsContact NE1-CE1 3.26Å; W35-F46 AromaticContact NE1-CE2 3.84Å; W35-F46 AromaticContact NE1-CZ 3.13Å
36V95.5Very high94.7Very high62 Ų62105 Ų10538%0.37652%0.524SS..EExtended strand (participates in β ladder)trans-106.2134.8177.3-177.90000109.1K34 R44 I45 K47 V49K34-V36 PolarHBondContact O-N 3.02Å; V36-R44 CarbonylContact O-C 3.54Å; V36-R44 WeakPolarHBondContact O-CA 3.41Å; V36-I45 PolarHBondContact N-O 3.08Å; V36-I45 PolarHBondContact O-N 3.17Å; V36-K47 HydrophobicContact CB-CB 4.47Å; V36-K47 HydrophobicContact CG2-CB 3.93Å; V36-V49 HydrophobicContact CG2-CG2 4.13Å
37T96.4Very high94.9Very high75 Ų75105.3 Ų105.346%0.4652%0.523SS..EExtended strand (participates in β ladder)trans-70.5139.2176.9-530000110.7G39 T41 L43T37-G39 PolarHBondContact O-N 3.12Å; T37-T41 WeakPolarHBondContact CG2-O 3.32Å; T37-L43 WeakPolarHBondContact CA-O 3.45Å
38V94.8Very high95.1Very high60 Ų60105.6 Ų105.636%0.36452%0.52SS..  trans-90.3103-178.8-175.80000109.8D40 T41 L43 I45V38-D40 PolarHBondContact O-N 3.12Å; V38-T41 WeakPolarHBondContact O-CB 3.31Å; V38-T41 PolarHBondContact O-N 3.48Å; V38-T41 VanDerWaalsContact O-N 3.14Å; V38-T41 PolarHBondContact O-OG1 3.26Å; V38-L43 PolarHBondContact N-O 2.93Å; V38-I45 HydrophobicContact CG2-CB 4.13Å; V38-I45 HydrophobicContact CG2-CD1 3.8Å; V38-I45 HydrophobicContact CG2-CG1 3.63Å; V38-I45 HydrophobicContact CG2-CG2 3.55Å
39G90Very high95.1Very high65 Ų65103.5 Ų103.567%0.6751%0.508SS*.THydrogen-bonded Turntrans54.5-135.3178.300000112.1T37 T41T37-G39 PolarHBondContact O-N 3.12Å; G39-T41 VanDerWaalsContact C-N 3.29Å; G39-T41 PolarHBondContact O-N 2.99Å
40D93.7Very high95.2Very high181 Ų18197.3 Ų97.397%0.96849%0.494SS*.THydrogen-bonded Turntrans-90.115.5179.3-52.2-46.8000113.4V38V38-D40 PolarHBondContact O-N 3.12Å
41T93.5Very high95.1Very high72 Ų7295.8 Ų95.844%0.44249%0.491SS..SBendtrans-92.6164.218073.60000112.3T37 V38 G39 L43T37-T41 WeakPolarHBondContact CG2-O 3.32Å; V38-T41 WeakPolarHBondContact O-CB 3.31Å; V38-T41 PolarHBondContact O-N 3.48Å; V38-T41 VanDerWaalsContact O-N 3.14Å; V38-T41 PolarHBondContact O-OG1 3.26Å; G39-T41 VanDerWaalsContact C-N 3.29Å; G39-T41 PolarHBondContact O-N 2.99Å; T41-L43 PolarHBondContact O-N 3.42Å; T41-L43 PolarHBondContact OG1-N 2.83Å
42S92.8Very high94.4Very high118 Ų11896.4 Ų96.483%0.82551%0.506SS*.SBendtrans-78.8-3.1171.760.40000113.8
43L96.2Very high93.1Very high113 Ų11396.5 Ų96.559%0.59251%0.509SS*.  trans-76.9144.3-178.1-8170000111T37 V38 T41T37-L43 WeakPolarHBondContact CA-O 3.45Å; V38-L43 PolarHBondContact N-O 2.93Å; T41-L43 PolarHBondContact O-N 3.42Å; T41-L43 PolarHBondContact OG1-N 2.83Å
44R95.7Very high91.4Very high147 Ų14796.3 Ų96.356%0.55552%0.521SS*.EExtended strand (participates in β ladder)trans-121.3140.5174-58.617771.8-172.42.4109.4W35 V36W35-R44 HydrophobicContact CB-CB 4.28Å; W35-R44 VanDerWaalsContact CB-NH2 3.32Å; W35-R44 HydrophobicContact CD2-CB 4.47Å; W35-R44 HydrophobicContact CE3-CB 3.89Å; W35-R44 WeakPolarHBondContact CZ3-O 3.29Å; W35-R44 PolarHBondContact O-NH2 3.32Å; W35-R44 VanDerWaalsContact O-NH2 3.11Å; V36-R44 CarbonylContact O-C 3.54Å; V36-R44 WeakPolarHBondContact O-CA 3.41Å
45I96.7Very high89.6Confident80 Ų80101.2 Ų101.241%0.4154%0.542SS..EExtended strand (participates in β ladder)trans-122.1149.1175.758.5172.1000110.5W35 V36 V38 K47W35-I45 CarbonylContact C-O 3.54Å; W35-I45 WeakPolarHBondContact CA-O 3.24Å; V36-I45 PolarHBondContact N-O 3.08Å; V36-I45 PolarHBondContact O-N 3.17Å; V38-I45 HydrophobicContact CG2-CB 4.13Å; V38-I45 HydrophobicContact CG2-CD1 3.8Å; V38-I45 HydrophobicContact CG2-CG1 3.63Å; V38-I45 HydrophobicContact CG2-CG2 3.55Å; I45-K47 PolarHBondContact O-N 2.82Å
46F96.8Very high87.7Confident95 Ų95101.5 Ų101.542%0.41755%0.549SS..EExtended strand (participates in β ladder)trans-75122.5169.7-79.3-65000110.6K33 K34 W35K33-F46 HydrophobicContact CD-CB 4.47Å; K33-F46 HydrophobicContact CD-CD1 4.01Å; K33-F46 HydrophobicContact CD-CE1 4.28Å; K33-F46 HydrophobicContact CD-CG 4.23Å; K33-F46 VanDerWaalsContact CE-CD1 3.48Å; K33-F46 VanDerWaalsContact CE-CD2 3.48Å; K33-F46 HydrophobicContact CG-CB 4.03Å; K33-F46 HydrophobicContact CG-CD1 3.5Å; K33-F46 HydrophobicContact CG-CE1 4.06Å; K33-F46 HydrophobicContact CG-CG 3.98Å; K33-F46 VanDerWaalsContact NZ-CB 3.3Å; K34-F46 CarbonylContact O-C 3.58Å; K34-F46 WeakPolarHBondContact O-CA 2.97Å; W35-F46 AromaticContact CD1-CE1 3.55Å; W35-F46 AromaticContact CD1-CZ 3.93Å; W35-F46 AromaticContact CD2-CD1 3.78Å; W35-F46 HydrophobicContact CD2-CD1 3.78Å; W35-F46 HydrophobicContact CD2-CD2 4.09Å; W35-F46 AromaticContact CD2-CE1 3.73Å; W35-F46 HydrophobicContact CD2-CE1 3.73Å; W35-F46 HydrophobicContact CD2-CE2 4.06Å; W35-F46 AromaticContact CD2-CG 4Å; W35-F46 HydrophobicContact CD2-CG 4Å; W35-F46 AromaticContact CD2-CZ 3.9Å; W35-F46 HydrophobicContact CD2-CZ 3.9Å; W35-F46 AromaticContact CE2-CD1 3.89Å; W35-F46 AromaticContact CE2-CD2 3.79Å; W35-F46 AromaticContact CE2-CE1 3.41Å; W35-F46 VanDerWaalsContact CE2-CE1 3.41Å; W35-F46 AromaticContact CE2-CE2 3.31Å; W35-F46 AromaticContact CE2-CZ 3.11Å; W35-F46 HydrophobicContact CE3-CD1 4.2Å; W35-F46 HydrophobicContact CE3-CD2 4.04Å; W35-F46 HydrophobicContact CE3-CE2 4.39Å; W35-F46 AromaticContact CE3-CG 3.98Å; W35-F46 HydrophobicContact CE3-CG 3.98Å; W35-F46 HydrophobicContact CG-CD1 4.02Å; W35-F46 AromaticContact CG-CE1 3.86Å; W35-F46 HydrophobicContact CG-CE1 3.86Å; W35-F46 HydrophobicContact CG-CZ 4.37Å; W35-F46 AromaticContact CH2-CD2 3.4Å; W35-F46 HydrophobicContact CH2-CD2 3.4Å; W35-F46 VanDerWaalsContact CH2-CD2 3.4Å; W35-F46 AromaticContact CH2-CE2 3.37Å; W35-F46 HydrophobicContact CH2-CE2 3.37Å; W35-F46 HydrophobicContact CH2-CG 4.19Å; W35-F46 HydrophobicContact CH2-CZ 4.11Å; W35-F46 HydrophobicContact CZ2-CD1 4.43Å; W35-F46 AromaticContact CZ2-CD2 3.49Å; W35-F46 HydrophobicContact CZ2-CD2 3.49Å; W35-F46 VanDerWaalsContact CZ2-CD2 3.49Å; W35-F46 HydrophobicContact CZ2-CE1 4.01Å; W35-F46 AromaticContact CZ2-CE2 2.94Å; W35-F46 HydrophobicContact CZ2-CE2 2.94Å; W35-F46 HydrophobicContact CZ2-CG 4.23Å; W35-F46 AromaticContact CZ2-CZ 3.27Å; W35-F46 HydrophobicContact CZ2-CZ 3.27Å; W35-F46 AromaticContact CZ3-CD2 3.69Å; W35-F46 HydrophobicContact CZ3-CD2 3.69Å; W35-F46 HydrophobicContact CZ3-CE2 4.07Å; W35-F46 HydrophobicContact CZ3-CG 4.06Å; W35-F46 AromaticContact NE1-CE1 3.26Å; W35-F46 VanDerWaalsContact NE1-CE1 3.26Å; W35-F46 AromaticContact NE1-CE2 3.84Å; W35-F46 AromaticContact NE1-CZ 3.13Å
47K96.3Very high85.5Confident121 Ų121108.1 Ų108.153%0.52657%0.573SS.*EExtended strand (participates in β ladder)trans-123.1139.2171-175.869.674.5177.10108.7K34 V36 I45 V49K34-K47 PolarHBondContact N-O 2.86Å; K34-K47 PolarHBondContact O-N 3.36Å; V36-K47 HydrophobicContact CB-CB 4.47Å; V36-K47 HydrophobicContact CG2-CB 3.93Å; I45-K47 PolarHBondContact O-N 2.82Å; K47-V49 HydrophobicContact CB-CG2 4.41Å; K47-V49 HydrophobicContact CG-CG2 4.39Å; K47-V49 PolarHBondContact O-N 3.29Å
48W97.2Very high83.2Confident150 Ų150114 Ų11457%0.56860%0.595SS**EExtended strand (participates in β ladder)trans-75.8112.4167.4-68.2102.9000108.1W31 E32 K33W31-W48 HydrophobicContact CB-CB 4.39Å; W31-W48 HydrophobicContact CB-CE3 4.22Å; W31-W48 HydrophobicContact CE3-CB 3.68Å; W31-W48 VanDerWaalsContact CE3-O 3.23Å; W31-W48 HydrophobicContact CZ3-CB 4.43Å; W31-W48 WeakPolarHBondContact CZ3-O 3.32Å; W31-W48 VanDerWaalsContact O-CZ3 3.31Å; W31-W48 WeakPolarHBondContact O-CZ3 3.27Å; E32-W48 WeakPolarHBondContact O-CA 3.5Å; K33-W48 HydrophobicContact CB-CD2 4.17Å; K33-W48 HydrophobicContact CB-CE3 3.94Å; K33-W48 HydrophobicContact CB-CH2 4.02Å; K33-W48 HydrophobicContact CB-CZ2 4.23Å; K33-W48 HydrophobicContact CB-CZ3 3.87Å; K33-W48 HydrophobicContact CD-CZ2 4.46Å
49V95Very high81.2Confident48 Ų48120.1 Ų120.129%0.29162%0.616SS.*EExtended strand (participates in β ladder)trans-104135.2-176.9-176.90000108.2W31 E32 K34 V36 K47 V51W31-V49 WeakPolarHBondContact CA-O 3.48Å; E32-V49 PolarHBondContact N-O 3.42Å; E32-V49 PolarHBondContact O-N 3.06Å; K34-V49 HydrophobicContact CB-CG2 4.22Å; V36-V49 HydrophobicContact CG2-CG2 4.13Å; K47-V49 HydrophobicContact CB-CG2 4.41Å; K47-V49 HydrophobicContact CG-CG2 4.39Å; K47-V49 PolarHBondContact O-N 3.29Å; V49-V51 PolarHBondContact O-N 2.93Å
50P95.4Very high79.1Confident73 Ų73121.9 Ų121.947%0.47462%0.619SS.*PPolyproline II helixtrans-57.7123.5175.2-20.329.5000111.2W31W31-P50 HydrophobicContact CD2-CG 4.31Å; W31-P50 HydrophobicContact CH2-CG 4.11Å; W31-P50 HydrophobicContact CZ2-CB 4.36Å; W31-P50 HydrophobicContact CZ2-CG 3.72Å
51V92.1Very high76.9Confident46 Ų46123.1 Ų123.128%0.27962%0.615SS.*PPolyproline II helixtrans-86.5117169.4-1790000108.2K30 E32 V49K30-V51 WeakPolarHBondContact O-CB 3.48Å; K30-V51 WeakPolarHBondContact O-CG2 3.29Å; E32-V51 HydrophobicContact CB-CG2 3.5Å; E32-V51 HydrophobicContact CG-CG2 3.29Å; V49-V51 PolarHBondContact O-N 2.93Å
52T80.7Confident74.4Confident113 Ų113124.6 Ų124.669%0.69363%0.629SS**  trans-89.5111.1166.155.80000108.2S54T52-S54 VanDerWaalsContact C-N 3.27Å; T52-S54 PolarHBondContact O-N 3.24Å
53D68.8Low71.9Confident79 Ų79127.4 Ų127.442%0.42264%0.635SS.*  trans-64.889.4168-66.5-57.5000109.2K30 K55K30-D53 VanDerWaalsContact CD-OD2 3.24Å; K30-D53 WeakPolarHBondContact CD-OD2 3.36Å; K30-D53 VanDerWaalsContact CE-OD2 3.29Å; K30-D53 WeakPolarHBondContact CE-OD2 3.5Å; K30-D53 IonicContact NZ-OD2 2.66Å; K30-D53 PolarHBondContact NZ-OD2 2.61Å; D53-K55 PolarHBondContact O-N 2.97Å; D53-K55 VanDerWaalsContact O-N 3.1Å
54S60.8Low69.2Low100 Ų100126.8 Ų126.870%0.69964%0.64SS**THydrogen-bonded Turntrans-73.59.2174.6-70.60000113T52T52-S54 VanDerWaalsContact C-N 3.27Å; T52-S54 PolarHBondContact O-N 3.24Å
55K57.1Low66.3Low203 Ų203125 Ų12588%0.88365%0.649SS**THydrogen-bonded Turntrans-113.6-4.5-174.4-73.4-72.3-174.1175.30115.7D53D53-K55 PolarHBondContact O-N 2.97Å; D53-K55 VanDerWaalsContact O-N 3.1Å
56E56.9Low63.6Low131 Ų131125.8 Ų125.861%0.61267%0.668SS**  trans-102.23.4179.5-151.6-178.790.600114.4E58E56-E58 PolarHBondContact O-N 2.89Å
57K49.5Very low60.9Low201 Ų201125.7 Ų125.787%0.87469%0.685SS**THydrogen-bonded Turntrans-73.35.7-173.9-91.5-169.7172.3-179.90116.6
58E47.6Very low58.5Low198 Ų198131 Ų13193%0.92570%0.701SS**THydrogen-bonded Turntrans-98.42.5179.2-76.2-161.9111.200116.3E56E56-E58 PolarHBondContact O-N 2.89Å
59K51.7Low55.9Low188 Ų188132.3 Ų132.382%0.81771%0.714SS**SBendtrans-134.83.1-175.6-136.2168.8178.31770118.8K61K59-K61 PolarHBondContact O-N 3.38Å
60S47.7Very low54.1Low103 Ų103134.2 Ų134.272%0.7273%0.728SS**  trans-103.562-173.5-53.90000112.8
61K45.9Very low51.4Low207 Ų207138.7 Ų138.790%0.975%0.748SS**  trans-129.244.3168.4-168.3152.6-179.2161.70112.7K59K59-K61 PolarHBondContact O-N 3.38Å
62S42.1Very low49Very low103 Ų103140.1 Ų140.172%0.7277%0.771SS**  trans-131.961.3174.156.60000112.7
63N38.6Very low47.3Very low177 Ų177144.6 Ų144.695%0.94778%0.782SS**  trans-102.278.1151.2-97.9-6.6000107.9
64S39.7Very low46.7Very low100 Ų100146.6 Ų146.670%0.69980%0.799SS**  trans-157.2102.9167.1-175.30000109.1
65S36.3Very low45.8Very low108 Ų108147.4 Ų147.476%0.75580%0.804SS**  trans23.1113146.461.20000118.6
66A39.2Very low45.5Very low98 Ų98145.2 Ų145.281%0.8180%0.802SS**  165.2119.3129.600000111.9
67A39.8Very low44.8Very low93 Ų93142.8 Ų142.877%0.76981%0.805SS**  trans52.5133.8130.600000122.1
68R46.2Very low44.7Very low231 Ų231138.5 Ų138.587%0.87280%0.8SS**  trans101.191.2150.5-59.2-68.6-140.1179.46.5118
69E43.7Very low44.6Very low178 Ų178132.7 Ų132.783%0.83279%0.786SS**  45.6150.9119-79.1-67.695.600122.7
70P55.3Low44.4Very low89 Ų89131 Ų13158%0.57879%0.786SS**  trans-90.4166.2-152.739.4-38.7000112.4
71N39.1Very low44.3Very low167 Ų167131.3 Ų131.389%0.89379%0.788SS**  trans164124.2143.4-82.70.8000109.6
72G43.1Very low44.5Very low75 Ų75126.7 Ų126.777%0.77378%0.782SS**  trans160.569.516900000114.9
73F45.2Very low45.2Very low208 Ų208129.2 Ų129.291%0.91279%0.787SS**  trans-76140.7155.3-84.1-89.7000109.1
74P55.2Low46.2Very low120 Ų120126.2 Ų126.278%0.77977%0.77SS**  trans-106.8109.1142.431.2-22.7000108.8D76P74-D76 PolarHBondContact O-N 3.34Å
75S41.5Very low47.4Very low117 Ų117130 Ų13082%0.81878%0.782SS**  trans-77.3104.9155.7173.30000106.2
76D51.9Low48.5Very low157 Ų157133 Ų13384%0.8478%0.783SS**  trans-122.2138.1159.4-142.2-46.4000109.4P74P74-D76 PolarHBondContact O-N 3.34Å
77A42.2Very low49.7Very low81 Ų81136.7 Ų136.767%0.66978%0.782SS**  trans-89.1-173.1-163.900000110.1
78S47.1Very low50.8Low111 Ų111140.4 Ų140.478%0.77678%0.783SS**  trans93.891.9160.8-145.50000115.7
79A44.6Very low52Low76 Ų76132.9 Ų132.963%0.62876%0.76SS**  44.1109.6119.300000116
80N48.8Very low53.2Low151 Ų151133.1 Ų133.181%0.80776%0.761SS**  trans-176.982.6134.5-78.8-45.6000107.4
81S44Very low53.6Low110 Ų110134.9 Ų134.977%0.76977%0.766SS**  trans-61.9137157.960.50000108.1
82S51.8Low54.5Low110 Ų110129.8 Ų129.877%0.76974%0.743SS**SBendtrans102.329.3159.4-49.80000121.1
83L55.4Low55.6Low157 Ų157134.3 Ų134.382%0.82275%0.75SS**SBendtrans-127.15.1179-74.5-179000120.5
84L61.2Low56.5Low113 Ų113132.5 Ų132.559%0.59274%0.744SS**  trans-157.962.9-177.1-128178.3000117.4E86 F87L84-E86 HydrophobicContact CD2-CB 4.27Å; L84-F87 HydrophobicContact CD1-CE2 4.17Å; L84-F87 HydrophobicContact CD2-CD2 3.76Å; L84-F87 HydrophobicContact CD2-CE2 3.4Å; L84-F87 VanDerWaalsContact CD2-CE2 3.4Å; L84-F87 HydrophobicContact CD2-CZ 4.09Å; L84-F87 HydrophobicContact CG-CE2 4.39Å
85L64.2Low57.1Low181 Ų181131.5 Ų131.595%0.94874%0.74SS**  trans-9018.3159.7-76.697000112.8F87L85-F87 VanDerWaalsContact C-N 3.34Å; L85-F87 PolarHBondContact O-N 3.26Å
86E59.9Low58.5Low169 Ų169130.5 Ų130.579%0.7973%0.733SS**  trans-93.264.6177.1-162.8176.6132.800111.2L84L84-E86 HydrophobicContact CD2-CB 4.27Å
87F64.6Low59.1Low177 Ų177129.6 Ų129.678%0.77673%0.733SS**  trans-129.364.9157.3-69.9-74.2000107.1L84 L85 D89L84-F87 HydrophobicContact CD1-CE2 4.17Å; L84-F87 HydrophobicContact CD2-CD2 3.76Å; L84-F87 HydrophobicContact CD2-CE2 3.4Å; L84-F87 VanDerWaalsContact CD2-CE2 3.4Å; L84-F87 HydrophobicContact CD2-CZ 4.09Å; L84-F87 HydrophobicContact CG-CE2 4.39Å; L85-F87 VanDerWaalsContact C-N 3.34Å; L85-F87 PolarHBondContact O-N 3.26Å; F87-D89 PolarHBondContact O-N 3.2Å; F87-D89 VanDerWaalsContact O-N 3.13Å
88Q62.9Low60.1Low170 Ų170130 Ų13079%0.79473%0.731SS**  trans-75.397.7167-165.7172.392.200106.6E90Q88-E90 PolarHBondContact O-N 2.97Å
89D69.4Low60.3Low74 Ų74132 Ų13240%0.39673%0.732SS.*  trans-70.1108.5178.7175.7-137.1000110.2F87 N91 S92F87-D89 PolarHBondContact O-N 3.2Å; F87-D89 VanDerWaalsContact O-N 3.13Å; D89-N91 PolarHBondContact O-N 2.9Å; D89-N91 VanDerWaalsContact OD1-CG 3.32Å; D89-N91 PolarHBondContact OD1-ND2 3.37Å; D89-N91 PolarHBondContact OD2-ND2 3.14Å; D89-S92 WeakPolarHBondContact O-CB 3.42Å; D89-S92 PolarHBondContact O-N 3.39Å; D89-S92 PolarHBondContact OD1-N 3.36Å; D89-S92 PolarHBondContact OD1-OG 2.88Å
90E69.8Low61.2Low183 Ų183134.6 Ų134.686%0.85574%0.74SS**THydrogen-bonded Turntrans-65.86.1179.2-63.6-89.982.800113.4Q88Q88-E90 PolarHBondContact O-N 2.97Å
91N64.2Low61.5Low125 Ų125136.9 Ų136.967%0.66874%0.739SS**THydrogen-bonded Turntrans-1160.9172.591.486.7000114.6D89 N93D89-N91 PolarHBondContact O-N 2.9Å; D89-N91 VanDerWaalsContact OD1-CG 3.32Å; D89-N91 PolarHBondContact OD1-ND2 3.37Å; D89-N91 PolarHBondContact OD2-ND2 3.14Å; N91-N93 PolarHBondContact O-N 3.44Å
92S58.4Low61.7Low61 Ų61140.4 Ų140.443%0.42774%0.744SS.*  trans-78.6116-174.1-96.40000113.2D89 Q94D89-S92 WeakPolarHBondContact O-CB 3.42Å; D89-S92 PolarHBondContact O-N 3.39Å; D89-S92 PolarHBondContact OD1-N 3.36Å; D89-S92 PolarHBondContact OD1-OG 2.88Å; S92-Q94 PolarHBondContact O-N 3.29Å
93N65.2Low61.8Low169 Ų169143.1 Ų143.190%0.90475%0.749SS**  trans-68.354.5160.8-68.8-72.9000111.1N91 S95N91-N93 PolarHBondContact O-N 3.44Å; N93-S95 PolarHBondContact O-N 3.45Å; N93-S95 VanDerWaalsContact O-N 3.08Å
94Q64.9Low61.8Low170 Ų170144.1 Ų144.179%0.79475%0.746SS**  trans-78.890.5169.9-80.4-157.442.400108.9S92 S96S92-Q94 PolarHBondContact O-N 3.29Å; Q94-S96 PolarHBondContact O-N 3.07Å; Q94-S96 VanDerWaalsContact O-N 3.17Å
95S67Low61.5Low100 Ų100144.5 Ų144.570%0.69975%0.753SS**  trans-68.4107.4154.9720000107.4N93 V97N93-S95 PolarHBondContact O-N 3.45Å; N93-S95 VanDerWaalsContact O-N 3.08Å; S95-V97 PolarHBondContact O-N 2.72Å
96S70.7Confident60.9Low96 Ų96143.4 Ų143.467%0.67175%0.748SS**  trans-61.8111.5163.6179.90000108.2Q94 S98Q94-S96 PolarHBondContact O-N 3.07Å; Q94-S96 VanDerWaalsContact O-N 3.17Å; S96-S98 PolarHBondContact O-N 2.87Å; S96-S98 PolarHBondContact OG-OG 2.66Å
97V65.8Low60.1Low138 Ų138140.4 Ų140.484%0.83675%0.746SS**  trans-73.783.3169.5-70.10000108.4S95S95-V97 PolarHBondContact O-N 2.72Å
98S61.3Low59.3Low89 Ų89137.1 Ų137.162%0.62275%0.745SS**  trans-77.5141.2167.5-56.90000109.7S96S96-S98 PolarHBondContact O-N 2.87Å; S96-S98 PolarHBondContact OG-OG 2.66Å
99D53Low58.6Low152 Ų152135.4 Ų135.481%0.81375%0.746SS**  trans71.996.4165.2-75.8-60.7000120.6
100V62.7Low57.6Low131 Ų131139.3 Ų139.379%0.79477%0.767SS**  trans-14089.5144.2172.90000108.5
101Y54.4Low56.3Low199 Ų199135 Ų13578%0.7876%0.757SS**  trans57.4108.6154.3-53-86.5000119.9L103Y101-L103 PolarHBondContact O-N 3.44Å
102Q48.4Very low55Low185 Ų185134.3 Ų134.386%0.86476%0.762SS**  trans-51.285.1140.4-67.7-87.278.300109K104Q102-K104 VanDerWaalsContact C-N 3.31Å; Q102-K104 PolarHBondContact O-N 3.1Å
103L53.8Low54.7Low167 Ų167137 Ų13787%0.87478%0.778SS**  trans-68.799.8167.8-176.361.7000106.7Y101 V105Y101-L103 PolarHBondContact O-N 3.44Å; L103-V105 PolarHBondContact O-N 3.13Å
104K56Low53.6Low177 Ų177134 Ų13477%0.7777%0.771SS**  trans-48.3128.7179.6-62.6173.8-85.2-167.90109.6Q102 D106Q102-K104 VanDerWaalsContact C-N 3.31Å; Q102-K104 PolarHBondContact O-N 3.1Å; K104-D106 PolarHBondContact O-N 3.18Å
105V55Low53.2Low121 Ų121132.1 Ų132.173%0.73377%0.773SS**  trans-38.2122.5165.5155.90000110.9L103L103-V105 PolarHBondContact O-N 3.13Å
106D52.3Low52.4Low159 Ų159136.6 Ų136.685%0.8578%0.783SS**  trans-139.7101.1148.7-80.4-52000107.9K104K104-D106 PolarHBondContact O-N 3.18Å
107S42.8Very low51Low106 Ų106140.6 Ų140.674%0.74179%0.791SS**  trans-65124.5169-63.60000109.7
108S48.1Very low50Low108 Ų108139.1 Ų139.176%0.75579%0.786SS**  trans172.9113.3137.4-77.60000112.6
109T47Very low49.4Very low134 Ų134143.5 Ų143.582%0.82280%0.797SS**  trans33.5120.6138.452.30000121.2
110N48Very low49Very low155 Ų155141.9 Ų141.983%0.82980%0.798SS**  109.7132.8129.6-153.637000118.8
111S43.6Very low48.6Very low92 Ų92143.2 Ų143.264%0.64380%0.8SS**  trans84.499.1155.5-61.40000120.7
112S37.4Very low48Very low112 Ų112139.6 Ų139.678%0.78380%0.803SS**  trans-60.6146.5152.91750000112.1
113P52.5Low48.5Very low116 Ų116137 Ų13775%0.75380%0.802SS**  -138.4143.5126.433.9-19.4000113.8
114S41.4Very low48.1Very low108 Ų108132.9 Ų132.976%0.75579%0.793SS**PPolyproline II helixtrans-65.3139.4170.5-720000112.4
115P56Low47.7Very low129 Ų129132.9 Ų132.984%0.83880%0.795SS**PPolyproline II helixtrans-83.2125.6167.530-28.3000111.3
116Q49.5Very low47.4Very low195 Ų195134.1 Ų134.191%0.91180%0.803SS**PPolyproline II helixtrans-71.1160.1171.3-76.4178.3-86.400112.2
117Q43.2Very low47.5Very low180 Ų180131 Ų13184%0.84179%0.794SS**PPolyproline II helixtrans-68.9158.9-177.1-56.8168.41.800113
118S44.5Very low47.9Very low106 Ų106133.4 Ų133.474%0.74180%0.799SS**  trans78.6130.9168.7-20.30000111.9
119E48.4Very low48.2Very low181 Ų181137.4 Ų137.485%0.84680%0.803SS**  -153.4147.559.1-71.3170.994.900111.3
120S43.9Very low48.5Very low119 Ų119142.4 Ų142.483%0.83281%0.807SS**  trans-64.1125.9170.7480000111.6
121L54.8Low49Very low158 Ų158141 Ų14183%0.82780%0.804SS**  trans-131.4109.4166-64.2172.4000108.4P123L121-P123 WeakPolarHBondContact O-CD 3.49Å
122S41.3Very low49.4Very low123 Ų123143.9 Ų143.986%0.8681%0.812SS**  trans-82123.8160-80.80000108.3A124S122-A124 PolarHBondContact O-N 3.29Å
123P58.1Low50.7Low130 Ų130146 Ų14684%0.84481%0.814SS**  trans-80.8105168.6-15.432.3000110.1L121L121-P123 WeakPolarHBondContact O-CD 3.49Å
124A45.5Very low51.1Low82 Ų82145.3 Ų145.368%0.67881%0.813SS**  trans-77.3125.9160.800000109.3S122S122-A124 PolarHBondContact O-N 3.29Å
125H47.6Very low52.3Low176 Ų176147.6 Ų147.682%0.81581%0.811SS**  trans14.9119156.3-44.3-77.4000118.6
126T50.6Low53Low147 Ų147146.1 Ų146.190%0.90280%0.802SS**  -166.7156.7129.240.80000110.3
127S53.9Low54Low95 Ų95143 Ų14366%0.66480%0.799SS**  trans93.688.6166.8133.60000116.5F129S127-F129 PolarHBondContact O-N 3.41Å
128D50.1Low55.2Low156 Ų156137.6 Ų137.683%0.83478%0.778SS**  trans-56.7110.6150.4-70.2-83.4000111.1
129F54.3Low56.2Low191 Ų191141.2 Ų141.284%0.83879%0.788SS**  trans-134.8107.7152.6-84-83.7000107.8S127 T131S127-F129 PolarHBondContact O-N 3.41Å; F129-T131 PolarHBondContact O-N 3.36Å
130R53.3Low57Low239 Ų239136.2 Ų136.290%0.90279%0.785SS**  trans-73.7116.8171.9-68.4-93.1-92.8175.2-7.1108
131T58.8Low57.8Low126 Ų126137.2 Ų137.277%0.77378%0.777SS**  trans-159.6111.3151-67.10000107F129 D133F129-T131 PolarHBondContact O-N 3.36Å; T131-D133 PolarHBondContact O-N 2.96Å
132D52.4Low58Low153 Ų153138.8 Ų138.882%0.81878%0.78SS**  trans40.267.8143.9-148.6-110.1000115.8
133D64.8Low58.7Low155 Ų155140 Ų14083%0.82978%0.775SS**  trans-108.7116.9163.4-169.149.9000108.2T131 Q135T131-D133 PolarHBondContact O-N 2.96Å; D133-Q135 PolarHBondContact O-N 2.89Å
134S61.7Low58.6Low103 Ų103140.8 Ų140.872%0.7277%0.771SS**  trans-67.288-173.5-66.10000110.1P136S134-P136 WeakPolarHBondContact O-CD 3.41Å
135Q66.6Low59.1Low155 Ų155145.1 Ų145.172%0.72478%0.778SS**PPolyproline II helixtrans-73.3122.8169.8-170.7177.8-15.400109D133D133-Q135 PolarHBondContact O-N 2.89Å
136P69.6Low59.3Low99 Ų99144 Ų14464%0.64377%0.773SS**PPolyproline II helixtrans-63.3146.7173.927-33.3000109.7S134 T138S134-P136 WeakPolarHBondContact O-CD 3.41Å; P136-T138 PolarHBondContact O-N 3.4Å
137P70.9Confident59.7Low129 Ų129142.8 Ų142.884%0.83877%0.767SS**PPolyproline II helixtrans-56.8126.1178.424.9-33.3000109.1L139P137-L139 PolarHBondContact O-N 3.06Å
138T67.8Low59.2Low67 Ų67142.5 Ų142.541%0.41177%0.765SS.*  trans-68106.3173.550.50000108.5P136 G140 Q141P136-T138 PolarHBondContact O-N 3.4Å; T138-G140 PolarHBondContact O-N 2.93Å; T138-G140 VanDerWaalsContact O-N 3.14Å; T138-Q141 WeakPolarHBondContact OG1-CG 3.4Å; T138-Q141 PolarHBondContact OG1-NE2 2.9Å
139L65.7Low59.3Low182 Ų182142.8 Ų142.895%0.95377%0.766SS**THydrogen-bonded Turntrans-50.9114.3165.1-172.891.8000108.9P137P137-L139 PolarHBondContact O-N 3.06Å
140G65.5Low58.9Low76 Ų76139.1 Ų139.178%0.78476%0.761SS**THydrogen-bonded Turntrans117.77.3173.600000117T138 E142T138-G140 PolarHBondContact O-N 2.93Å; T138-G140 VanDerWaalsContact O-N 3.14Å; G140-E142 PolarHBondContact O-N 3.2Å
141Q60.8Low58.3Low140 Ų140134.1 Ų134.165%0.65476%0.763SS**  trans-95.765.5168.5-59.2-169.72500110.4T138 I143T138-Q141 WeakPolarHBondContact OG1-CG 3.4Å; T138-Q141 PolarHBondContact OG1-NE2 2.9Å; Q141-I143 PolarHBondContact O-N 2.87Å
142E59.2Low58Low190 Ų190133.6 Ų133.689%0.88877%0.765SS**  trans-75.5104.9159.6-66.9-143.5106.800107.1G140 L144G140-E142 PolarHBondContact O-N 3.2Å; E142-L144 PolarHBondContact O-N 3.05Å
143I55Low58Low149 Ų149135.4 Ų135.476%0.76477%0.768SS**  trans-66.6100168.7-62.3160.3000105.4Q141 E145Q141-I143 PolarHBondContact O-N 2.87Å; I143-E145 PolarHBondContact O-N 2.95Å
144L57.4Low57.6Low147 Ų147134.5 Ų134.577%0.7777%0.768SS**  trans-72.280.2170.4-161.5173.1000107.2E142 E146E142-L144 PolarHBondContact O-N 3.05Å; L144-E146 HydrophobicContact CD2-CB 3.79Å; L144-E146 PolarHBondContact O-N 3.23Å
145E55.2Low57.1Low173 Ų173134 Ų13481%0.80877%0.77SS**  trans-82.2103.4160.4-173.916994.700106.7I143 P147I143-E145 PolarHBondContact O-N 2.95Å; E145-P147 VanDerWaalsContact O-CD 3.25Å; E145-P147 WeakPolarHBondContact O-CD 3.48Å
146E53Low57Low153 Ų153134.2 Ų134.272%0.71578%0.776SS**  trans-78.4110.6177.8177.1176.685.900109.9L144 S148L144-E146 HydrophobicContact CD2-CB 3.79Å; L144-E146 PolarHBondContact O-N 3.23Å; E146-S148 PolarHBondContact O-N 3.35Å
147P57.6Low57.1Low120 Ų120136.6 Ų136.678%0.77978%0.779SS**  trans-81.9114.61650.620.3000107.4E145E145-P147 VanDerWaalsContact O-CD 3.25Å; E145-P147 WeakPolarHBondContact O-CD 3.48Å
148S43.6Very low57.2Low89 Ų89135.1 Ų135.162%0.62277%0.769SS**  trans-66.8155.5173.72.80000110.9E146E146-S148 PolarHBondContact O-N 3.35Å
149L52.5Low57.2Low162 Ų162137.9 Ų137.985%0.84879%0.788SS**  trans93.7149.3162.1-42.4-175.2000117.1
150P45.8Very low57Low114 Ų114134.2 Ų134.274%0.7477%0.773SS**  -128.6154.9-60.132.6-17.1000111.2S152P150-S152 PolarHBondContact O-N 3.21Å
151S40.1Very low56.7Low135 Ų135138.9 Ų138.994%0.94478%0.779SS**  trans-55119.2173.1-55.70000112
152S52.1Low56.4Low115 Ų115137.7 Ų137.780%0.80478%0.782SS**  trans-132.3110.1161.5-169.90000108.9P150 V154P150-S152 PolarHBondContact O-N 3.21Å; S152-V154 PolarHBondContact O-N 3.36Å
153E53.3Low56.4Low190 Ų190138.5 Ų138.589%0.88878%0.783SS**  trans-49.3115.3165.9173.317579.500112.3
154V56.8Low56.7Low137 Ų137139.3 Ų139.383%0.8378%0.783SS**  trans-155.9132.8151.6165.10000107.1S152S152-V154 PolarHBondContact O-N 3.36Å
155A51.6Low56.7Low93 Ų93140.1 Ų140.177%0.76978%0.783SS**  trans-49.4140.6-172.900000116.2
156D63.9Low57.1Low159 Ų159137 Ų13785%0.8578%0.778SS**  trans-133.590.1154.3-156.2-107.6000107.1
157E71.9Confident57.2Low148 Ų148134.4 Ų134.469%0.69277%0.772SS**  trans-71.6133.6168.6-175.6-172.3111.300107.7
158P72.5Confident56.6Low98 Ų98134.3 Ų134.364%0.63677%0.772SS**  trans-61.8141.2177.427.5-34.9000109.8T160P158-T160 PolarHBondContact O-N 3.26Å
159P67.8Low57Low125 Ų125137.9 Ų137.981%0.81278%0.783SS**  trans-60.1113.9-178.924.6-32.8000110.3L161P159-L161 PolarHBondContact O-N 2.95Å; P159-L161 VanDerWaalsContact O-N 3.13Å
160T61.8Low56.6Low105 Ų105138.6 Ų138.664%0.64478%0.782SS**  trans-72.498.4170.311.10000108.4P158 T162P158-T160 PolarHBondContact O-N 3.26Å; T160-T162 VanDerWaalsContact C-N 3.32Å; T160-T162 PolarHBondContact O-N 3.26Å
161L59.9Low56.4Low174 Ų174138.7 Ų138.791%0.91178%0.78SS**  trans-70.291.5173-124167.5000109.1P159P159-L161 PolarHBondContact O-N 2.95Å; P159-L161 VanDerWaalsContact O-N 3.13Å
162T52.9Low56.5Low115 Ų115140.7 Ų140.771%0.70678%0.775SS**  trans-91.8152.1170.143.20000109.5T160T160-T162 VanDerWaalsContact C-N 3.32Å; T160-T162 PolarHBondContact O-N 3.26Å
163K60.5Low55.8Low208 Ų208141.3 Ų141.390%0.90477%0.774SS**  trans91.2104.5174.7-154.3166.6-178.6163.10113
164E61.4Low55.4Low166 Ų166138.6 Ų138.678%0.77677%0.769SS**  -155.9129.464.1-177.5-161.711100110.8
165E57.6Low54.7Low164 Ų164140.2 Ų140.277%0.76677%0.768SS**  trans-94.8118.2167.6173.5-167.4111.700107.8
166P63Low54.4Low107 Ų107144.4 Ų144.470%0.69577%0.772SS**  trans-84.5114.6165.428.4-28.1000110.3
167V55Low53.6Low99 Ų99145.3 Ų145.360%0.677%0.771SS**  trans-44.2137.8170.7169.20000112.8L169V167-L169 HydrophobicContact CG1-CD2 4.38Å; V167-L169 HydrophobicContact CG1-CG 4.49Å; V167-L169 PolarHBondContact O-N 3.45Å
168P45.4Very low52.2Low118 Ų118146.9 Ų146.977%0.76678%0.778SS**  trans-79.9115.8170.931-28.7000109.8
169L51.8Low51.1Low163 Ų163149 Ų14985%0.85378%0.784SS**  trans-97.3100.2165.8-70.4178.7000109.1V167V167-L169 HydrophobicContact CG1-CD2 4.38Å; V167-L169 HydrophobicContact CG1-CG 4.49Å; V167-L169 PolarHBondContact O-N 3.45Å
170E43.7Very low50.1Low177 Ų177148 Ų14883%0.82778%0.781SS**  trans-48.7145.9152.5-61.6-171.795.200109.6
171T41.4Very low49.1Very low116 Ų116146.8 Ų146.871%0.71279%0.788SS**  trans171.6107.4139.3-75.30000110.3
172Q41.7Very low48.6Very low177 Ų177143.1 Ų143.183%0.82778%0.783SS**  trans83.991142.2-61.1-179.2120.200120.2
173V38.3Very low49.1Very low129 Ų129143.1 Ų143.178%0.78279%0.785SS**  -11.5116126.7-1610000114.3
174V44Very low49.4Very low132 Ų132139.2 Ų139.280%0.878%0.781SS**  trans-154.8119.1133.3163.80000106.4
175E43Very low49.6Very low172 Ų172139.4 Ų139.480%0.80479%0.786SS**  trans-72.1136.7168.6-58.2170.7107.400108.8
176E45.4Very low50.1Low180 Ų180141.6 Ų141.684%0.84179%0.794SS**  trans171.894.6155.7-97.1164.5-177.400106
177E46Very low50.4Low179 Ų179148 Ų14884%0.83680%0.804SS**  86.1135.397.3-150.1-177.4117.500112.4
178E42.2Very low50.8Low180 Ų180153 Ų15384%0.84182%0.818SS**  trans-18.4133.4-179.9-76.6168.252.100118.4
179D49.7Very low51.6Low143 Ų143152.7 Ų152.777%0.76582%0.817SS**  158.1134.7119-173.941.3000111.6
180S47.1Very low52.4Low105 Ų105151.4 Ų151.473%0.73482%0.816SS**  trans47.3116.8153.5-68.30000121.3
181G41.2Very low53.5Low78 Ų78150.4 Ų150.480%0.80482%0.816SS**  trans166.183.5153.200000116.8
182A49.7Very low54.5Low98 Ų98152.1 Ų152.181%0.8182%0.816SS**PPolyproline II helixtrans-63.1140.4165.100000111.1
183P63.3Low55.3Low115 Ų115148.8 Ų148.875%0.74781%0.81SS**PPolyproline II helixtrans-76.5149.8-177.131.3-34.2000112
184P67.1Low56.4Low126 Ų126149.1 Ų149.182%0.81881%0.812SS**PPolyproline II helixtrans-73.1132.7-172.529.1-33.8000112.7K186P184-K186 PolarHBondContact O-N 2.86Å
185L64.9Low57.4Low169 Ų169148.6 Ų148.689%0.88581%0.809SS**PPolyproline II helixtrans-66.1121.5170.9-72.6165000110.4R187L185-R187 PolarHBondContact O-N 3.38Å
186K68.6Low58.5Low211 Ų211146 Ų14692%0.91781%0.807SS**PPolyproline II helixtrans-62.3117.8176.9-66.1177.8178.6-178.50110P184 F188P184-K186 PolarHBondContact O-N 2.86Å; K186-F188 PolarHBondContact O-N 3.36Å
187R68.6Low59.3Low241 Ų241146.5 Ų146.591%0.90981%0.809SS**PPolyproline II helixtrans-70.6121171.2-59.9-179.4-165.8126.93108.7L185L185-R187 PolarHBondContact O-N 3.38Å
188F64Low60.2Low204 Ų204144 Ų14490%0.89581%0.807SS**PPolyproline II helixtrans-77.6128.2166.5-159.7-97000108K186K186-F188 PolarHBondContact O-N 3.36Å
189C62.1Low61.1Low111 Ų111140.2 Ų140.275%0.7581%0.806SS**PPolyproline II helixtrans-67.7131.9178-73.50000110D191C189-D191 PolarHBondContact O-N 2.79Å
190V67.7Low61.9Low137 Ų137139.1 Ų139.183%0.8381%0.81SS**  trans-73.7113.5161.2131.30000106.6
191D67.9Low62.7Low156 Ų156143.3 Ų143.383%0.83482%0.818SS**  trans-81.9114.4169.3-166.5-102.8000107.6C189C189-D191 PolarHBondContact O-N 2.79Å
192Q62.4Low63.6Low151 Ų151149.1 Ų149.171%0.70685%0.846SS**  trans-87137.4175-114.7-134.987.700109.1T194Q192-T194 PolarHBondContact O-N 3.04Å; Q192-T194 VanDerWaalsContact O-N 3.11Å
193P58.4Low64.3Low107 Ų107151.7 Ų151.770%0.69585%0.848SS**  trans-72.5109.8-176.529.6-32.8000110.5
194T61.3Low64.4Low137 Ų137153.6 Ų153.684%0.8485%0.853SS**  trans-86.2116.8169-62.50000109.5Q192Q192-T194 PolarHBondContact O-N 3.04Å; Q192-T194 VanDerWaalsContact O-N 3.11Å
195V64.7Low64.3Low121 Ų121155.1 Ų155.173%0.73386%0.855SS**  trans-68.5129.1176.1-154.90000109.6Q197V195-Q197 PolarHBondContact O-N 3.15Å
196P66Low64.2Low116 Ų116154.3 Ų154.375%0.75385%0.853SS**  trans-79.8111.6170.429.3-28.4000109.4T198P196-T198 PolarHBondContact O-N 3.41Å
197Q62.7Low63.9Low191 Ų191150.8 Ų150.889%0.89385%0.849SS**PPolyproline II helixtrans-69120.5164.4-73.4-172.911.100108.8V195 A199V195-Q197 PolarHBondContact O-N 3.15Å; Q197-A199 PolarHBondContact O-N 3.46Å
198T64.4Low63.6Low127 Ų127144.7 Ų144.778%0.77985%0.845SS**PPolyproline II helixtrans-70.7120.517146.80000109.8P196P196-T198 PolarHBondContact O-N 3.41Å
199A61.2Low63.6Low101 Ų101140.5 Ų140.584%0.83584%0.842SS**PPolyproline II helixtrans-61.3131.1167.700000110.4Q197Q197-A199 PolarHBondContact O-N 3.46Å
200S67.9Low63.7Low119 Ų119142.8 Ų142.883%0.83285%0.849SS**  trans-117.2113.6161.7-67.20000106.7
201E63Low63.4Low193 Ų193143.3 Ų143.390%0.90285%0.85SS**  trans-130.696.6168-170.4173.594.900107.3
202S61Low63Low200 Ų200142.1 Ų142.1100%1.39985%0.852SS**  trans-172.10155.3-81.50000108.9

Retrieved 202 of 202 residues in 38.4 ms (Link to these results)