BCL7B_HUMAN Loading...

B-cell CLL/lymphoma 7 protein family member B

Positive regulator of apoptosis. Plays a role in the Wnt signaling pathway, negatively regulating the expression of Wnt signaling components CTNNB1 and HMGA11. Involved in cell cycle progression, maintenance of the nuclear structure and stem cell differentiation2. May play a role in lung tumor development or progression (By similarity).

AlphaFold DB , UniProt , Accession Q9BQE9, Species HUMAN (Homo sapiens, Human), 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 446.6 ms (Link to these results)