A0A060WK62_ONCMY Loading...

B-cell CLL/lymphoma 7 protein family member B-B

AlphaFold DB , UniProt , Accession A0A060WK62, Species ONCMY (Oncorhynchus mykiss, Rainbow trout), Gene LOC110507617, Length 199 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
1M52.5Low66.2Low248 Ų248140.2 Ų140.2100%1.22276%0.76SS**  084.30-6317477.100108.9
2S65.1Low67.6Low134 Ų134132.9 Ų132.994%0.93773%0.727SS**  trans-136.3106.8179.4-167.60000107.9
3G64.8Low69.1Low76 Ų76134.4 Ų134.478%0.78472%0.716SS**  trans179.912.1-174.400000116.4
4R63.9Low70.5Confident234 Ų234128.6 Ų128.688%0.88370%0.696SS**SBendtrans-103.6-7.7-178.8-66.5-173.6179.7-112.91.1114.6
5S64.7Low71.9Confident100 Ų100129.2 Ų129.270%0.69969%0.69SS**SBendtrans-79.5-37.6-169.5-161.80000114.5R7 A8S5-R7 VanDerWaalsContact C-N 3.25Å; S5-R7 PolarHBondContact O-N 3.34Å; S5-R7 VanDerWaalsContact O-N 3.13Å; S5-A8 PolarHBondContact O-N 3.44Å
6G65.4Low73.3Confident57 Ų57125.2 Ų125.259%0.58867%0.668SS**Hα-helixtrans-64.3-22.7-175.800000115.5T10G6-T10 PolarHBondContact O-OG1 3.41Å
7R61.9Low74.5Confident214 Ų214122.5 Ų122.581%0.80865%0.654SS**Hα-helixtrans-80-28.2178.9-171.2175.9179.5-175.60.7113.1S5 T10 R11S5-R7 VanDerWaalsContact C-N 3.25Å; S5-R7 PolarHBondContact O-N 3.34Å; S5-R7 VanDerWaalsContact O-N 3.13Å; R7-T10 PolarHBondContact O-OG1 3.24Å; R7-R11 PolarHBondContact O-N 3.15Å
8A70.6Confident75.6Confident70 Ų70121.6 Ų121.658%0.57965%0.648SS**Hα-helixtrans-71.6-40.4177.200000110.6S5 R11 S12S5-A8 PolarHBondContact O-N 3.44Å; A8-R11 PolarHBondContact O-N 3.05Å; A8-S12 PolarHBondContact O-N 3.24Å
9E72.1Confident76.8Confident111 Ų111120.7 Ų120.752%0.51964%0.638SS.*Hα-helixtrans-66.5-45.8-178.8-166.9173.5124.300112.2R11 S12 R13E9-R11 VanDerWaalsContact C-N 3.3Å; E9-R11 PolarHBondContact O-N 3.34Å; E9-S12 PolarHBondContact O-N 3.01Å; E9-S12 PolarHBondContact O-OG 2.79Å; E9-R13 PolarHBondContact O-N 3.37Å; E9-R13 IonicContact OE1-CZ 3.43Å; E9-R13 IonicContact OE1-NE 3.78Å; E9-R13 IonicContact OE1-NH2 3.05Å; E9-R13 PolarHBondContact OE1-NH2 3.37Å
10T72.7Confident77.8Confident92 Ų92121.3 Ų121.356%0.56464%0.635SS**Hα-helixtrans-63.9-33.1179.748.20000113.2G6 R7G6-T10 PolarHBondContact O-OG1 3.41Å; R7-T10 PolarHBondContact O-OG1 3.24Å
11R74.9Confident78.7Confident206 Ų206119.6 Ų119.678%0.77763%0.629SS**Hα-helixtrans-70.9-30177.1-166.4178.4-176.6-130.92.8113.1R7 A8 E9 K15R7-R11 PolarHBondContact O-N 3.15Å; A8-R11 PolarHBondContact O-N 3.05Å; E9-R11 VanDerWaalsContact C-N 3.3Å; E9-R11 PolarHBondContact O-N 3.34Å; R11-K15 PolarHBondContact O-N 3.2Å
12S82.1Confident80.9Confident53 Ų53112.9 Ų112.937%0.37160%0.598SS.*Hα-helixtrans-70.8-46.3179.5690000112.1A8 E9 A14 K15 D16A8-S12 PolarHBondContact O-N 3.24Å; E9-S12 PolarHBondContact O-N 3.01Å; E9-S12 PolarHBondContact O-OG 2.79Å; S12-A14 PolarHBondContact O-N 3.41Å; S12-K15 WeakPolarHBondContact O-CB 3.31Å; S12-K15 PolarHBondContact O-N 3.31Å; S12-K15 VanDerWaalsContact O-N 3.1Å; S12-D16 PolarHBondContact O-N 3.34Å
13R87.4Confident82.3Confident152 Ų152109 Ų10957%0.57457%0.573SS**Hα-helixtrans-56.5-49.8178.9-66.2179.6-174.5-114.84112.1E9 K15 D16 D17E9-R13 PolarHBondContact O-N 3.37Å; E9-R13 IonicContact OE1-CZ 3.43Å; E9-R13 IonicContact OE1-NE 3.78Å; E9-R13 IonicContact OE1-NH2 3.05Å; E9-R13 PolarHBondContact OE1-NH2 3.37Å; R13-K15 VanDerWaalsContact C-N 3.28Å; R13-K15 PolarHBondContact O-N 3.39Å; R13-D16 PolarHBondContact O-N 2.81Å; R13-D16 VanDerWaalsContact O-N 3.12Å; R13-D17 PolarHBondContact O-N 3.13Å
14A89.3Confident83.8Confident54 Ų54107.7 Ų107.745%0.44656%0.555SS.*Hα-helixtrans-58.6-40.4177.900000112.3S12 I18S12-A14 PolarHBondContact O-N 3.41Å; A14-I18 WeakPolarHBondContact O-CD1 3.42Å; A14-I18 VanDerWaalsContact O-CG1 3.27Å; A14-I18 WeakPolarHBondContact O-CG1 3.08Å; A14-I18 PolarHBondContact O-N 2.76Å; A14-I18 VanDerWaalsContact O-N 3.15Å
15K90.6Very high85.3Confident137 Ų13799.6 Ų99.660%0.59653%0.529SS*.Hα-helixtrans-68.1-37.7177.6-172.8-179.7177.5-179.30112.2R11 S12 R13 K19R11-K15 PolarHBondContact O-N 3.2Å; S12-K15 WeakPolarHBondContact O-CB 3.31Å; S12-K15 PolarHBondContact O-N 3.31Å; S12-K15 VanDerWaalsContact O-N 3.1Å; R13-K15 VanDerWaalsContact C-N 3.28Å; R13-K15 PolarHBondContact O-N 3.39Å; K15-K19 WeakPolarHBondContact O-CG 3.49Å; K15-K19 PolarHBondContact O-N 3.01Å
16D94.6Very high86.8Confident65 Ų6599.4 Ų99.435%0.34852%0.517SS..Hα-helixtrans-73.5-34.7178.6-67.3-35.8000112.3S12 R13 K19 K20S12-D16 PolarHBondContact O-N 3.34Å; R13-D16 PolarHBondContact O-N 2.81Å; R13-D16 VanDerWaalsContact O-N 3.12Å; D16-K19 WeakPolarHBondContact O-CB 3.34Å; D16-K19 PolarHBondContact O-N 3.42Å; D16-K19 IonicContact OD1-NZ 2.73Å; D16-K19 PolarHBondContact OD1-NZ 2.84Å; D16-K20 WeakPolarHBondContact O-CG 3.45Å; D16-K20 PolarHBondContact O-N 3.19Å
17D94Very high88.1Confident80 Ų80103.9 Ų103.943%0.42852%0.52SS..Hα-helixtrans-66.3-39.6174.6-68.2-17.4000111.4R13 K19 K20 V21R13-D17 PolarHBondContact O-N 3.13Å; D17-K19 VanDerWaalsContact C-N 3.35Å; D17-K19 PolarHBondContact O-N 3.36Å; D17-K20 WeakPolarHBondContact O-CB 3.16Å; D17-K20 PolarHBondContact O-N 3.12Å; D17-K20 IonicContact OD1-NZ 2.88Å; D17-K20 PolarHBondContact OD1-NZ 2.86Å; D17-V21 WeakPolarHBondContact O-CG2 2.85Å; D17-V21 PolarHBondContact O-N 3.29Å
18I95.2Very high89.7Confident106 Ų10698 Ų9854%0.54451%0.508SS..Hα-helixtrans-58.7-46.3170.7-67.6163.9000110.8A14 K20 V21 L22A14-I18 WeakPolarHBondContact O-CD1 3.42Å; A14-I18 VanDerWaalsContact O-CG1 3.27Å; A14-I18 WeakPolarHBondContact O-CG1 3.08Å; A14-I18 PolarHBondContact O-N 2.76Å; A14-I18 VanDerWaalsContact O-N 3.15Å; I18-K20 VanDerWaalsContact C-N 3.33Å; I18-K20 PolarHBondContact O-N 3.46Å; I18-V21 PolarHBondContact O-N 3.37Å; I18-L22 HydrophobicContact CG2-CD1 4.07Å; I18-L22 HydrophobicContact CG2-CG 4.4Å; I18-L22 WeakPolarHBondContact O-CG 3.38Å; I18-L22 PolarHBondContact O-N 3.15Å
19K96.8Very high90.8Very high105 Ų105103.5 Ų103.546%0.45751%0.514SS..Hα-helixtrans-61.9-40.4176.8-68.9176.8-153.1145.90111.9K15 D16 D17 L22 A23K15-K19 WeakPolarHBondContact O-CG 3.49Å; K15-K19 PolarHBondContact O-N 3.01Å; D16-K19 WeakPolarHBondContact O-CB 3.34Å; D16-K19 PolarHBondContact O-N 3.42Å; D16-K19 IonicContact OD1-NZ 2.73Å; D16-K19 PolarHBondContact OD1-NZ 2.84Å; D17-K19 VanDerWaalsContact C-N 3.35Å; D17-K19 PolarHBondContact O-N 3.36Å; K19-L22 PolarHBondContact O-N 2.94Å; K19-A23 VanDerWaalsContact O-CB 3.26Å; K19-A23 WeakPolarHBondContact O-CB 3Å; K19-A23 PolarHBondContact O-N 3.37Å
20K97Very high91.8Very high132 Ų132102 Ų10257%0.57451%0.506SS*.Hα-helixtrans-62.7-43.4176.3-72.4172.9-164.6156.40111.1D16 D17 I18 A23 A24D16-K20 WeakPolarHBondContact O-CG 3.45Å; D16-K20 PolarHBondContact O-N 3.19Å; D17-K20 WeakPolarHBondContact O-CB 3.16Å; D17-K20 PolarHBondContact O-N 3.12Å; D17-K20 IonicContact OD1-NZ 2.88Å; D17-K20 PolarHBondContact OD1-NZ 2.86Å; I18-K20 VanDerWaalsContact C-N 3.33Å; I18-K20 PolarHBondContact O-N 3.46Å; K20-A23 PolarHBondContact O-N 3.19Å; K20-A24 VanDerWaalsContact O-CB 3.26Å; K20-A24 WeakPolarHBondContact O-CB 3.1Å; K20-A24 PolarHBondContact O-N 2.95Å
21V97.4Very high92.9Very high85 Ų85103 Ų10352%0.51550%0.499SS..Hα-helixtrans-62.5-49.8176.8169.50000110.4D17 I18 A23 A24 I25D17-V21 WeakPolarHBondContact O-CG2 2.85Å; D17-V21 PolarHBondContact O-N 3.29Å; I18-V21 PolarHBondContact O-N 3.37Å; V21-A23 VanDerWaalsContact C-N 3.32Å; V21-A23 PolarHBondContact O-N 2.86Å; V21-A24 PolarHBondContact O-N 3.4Å; V21-A24 VanDerWaalsContact O-N 3.16Å; V21-I25 HydrophobicContact CG1-CD1 3.71Å; V21-I25 HydrophobicContact CG1-CG1 4.35Å; V21-I25 VanDerWaalsContact O-CG1 3.24Å; V21-I25 WeakPolarHBondContact O-CG1 3.42Å; V21-I25 PolarHBondContact O-N 2.78Å
22L97.5Very high93.9Very high108 Ų10895.4 Ų95.457%0.56547%0.472SS*.Hα-helixtrans-58.2-44.2176.7-69175000111.8I18 K19 I25 E26I18-L22 HydrophobicContact CG2-CD1 4.07Å; I18-L22 HydrophobicContact CG2-CG 4.4Å; I18-L22 WeakPolarHBondContact O-CG 3.38Å; I18-L22 PolarHBondContact O-N 3.15Å; K19-L22 PolarHBondContact O-N 2.94Å; L22-I25 PolarHBondContact O-N 3.38Å; L22-E26 WeakPolarHBondContact O-CB 3.44Å; L22-E26 PolarHBondContact O-N 2.82Å
23A96.3Very high94.6Very high51 Ų5198.3 Ų98.342%0.42148%0.478SS..Hα-helixtrans-66.2-37176.900000112.7K19 K20 V21 E26 K27K19-A23 VanDerWaalsContact O-CB 3.26Å; K19-A23 WeakPolarHBondContact O-CB 3Å; K19-A23 PolarHBondContact O-N 3.37Å; K20-A23 PolarHBondContact O-N 3.19Å; V21-A23 VanDerWaalsContact C-N 3.32Å; V21-A23 PolarHBondContact O-N 2.86Å; A23-E26 PolarHBondContact O-N 3.4Å; A23-K27 VanDerWaalsContact O-CG 3.31Å; A23-K27 WeakPolarHBondContact O-CG 3.39Å; A23-K27 PolarHBondContact O-N 2.89Å
24A95.9Very high95Very high49 Ų4994.3 Ų94.341%0.40547%0.465SS..Hα-helixtrans-67.1-42.7175.500000111.3K20 V21 E26 K27 V28K20-A24 VanDerWaalsContact O-CB 3.26Å; K20-A24 WeakPolarHBondContact O-CB 3.1Å; K20-A24 PolarHBondContact O-N 2.95Å; V21-A24 PolarHBondContact O-N 3.4Å; V21-A24 VanDerWaalsContact O-N 3.16Å; A24-E26 VanDerWaalsContact C-N 3.34Å; A24-K27 WeakPolarHBondContact O-CB 3.31Å; A24-K27 PolarHBondContact O-N 2.94Å; A24-V28 WeakPolarHBondContact O-CG2 3.08Å; A24-V28 PolarHBondContact O-N 3.05Å
25I95.9Very high95.3Very high65 Ų6597.7 Ų97.733%0.33347%0.466SS..Hα-helixtrans-60.5-46.7173.7-66165.1000109.8V21 L22 K27 V28 R29V21-I25 HydrophobicContact CG1-CD1 3.71Å; V21-I25 HydrophobicContact CG1-CG1 4.35Å; V21-I25 VanDerWaalsContact O-CG1 3.24Å; V21-I25 WeakPolarHBondContact O-CG1 3.42Å; V21-I25 PolarHBondContact O-N 2.78Å; L22-I25 PolarHBondContact O-N 3.38Å; I25-K27 VanDerWaalsContact C-N 3.28Å; I25-K27 PolarHBondContact O-N 3.36Å; I25-V28 PolarHBondContact O-N 2.88Å; I25-V28 VanDerWaalsContact O-N 3.12Å; I25-R29 HydrophobicContact CG2-CG 4.25Å; I25-R29 WeakPolarHBondContact O-CB 3.38Å; I25-R29 WeakPolarHBondContact O-CG 3.31Å; I25-R29 PolarHBondContact O-N 3.35Å
26E95.1Very high95.5Very high96 Ų9693.7 Ų93.745%0.44945%0.453SS..Hα-helixtrans-60.6-38.6178.3-174.154.9-150.400112L22 A23 A24 V28 R29 K30L22-E26 WeakPolarHBondContact O-CB 3.44Å; L22-E26 PolarHBondContact O-N 2.82Å; A23-E26 PolarHBondContact O-N 3.4Å; A24-E26 VanDerWaalsContact C-N 3.34Å; E26-V28 PolarHBondContact O-N 3.4Å; E26-R29 PolarHBondContact O-N 3.44Å; E26-K30 PolarHBondContact O-N 2.96Å; E26-K30 WeakPolarHBondContact OE1-CE 3.06Å
27K92.4Very high95.6Very high150 Ų15094.3 Ų94.365%0.65246%0.459SS*.Hα-helixtrans-60.9-44.2173.2-76.3173-178.9176.80112.3A23 A24 I25 K30 W31A23-K27 VanDerWaalsContact O-CG 3.31Å; A23-K27 WeakPolarHBondContact O-CG 3.39Å; A23-K27 PolarHBondContact O-N 2.89Å; A24-K27 WeakPolarHBondContact O-CB 3.31Å; A24-K27 PolarHBondContact O-N 2.94Å; I25-K27 VanDerWaalsContact C-N 3.28Å; I25-K27 PolarHBondContact O-N 3.36Å; K27-K30 PolarHBondContact O-N 3.25Å; K27-W31 PolarHBondContact O-NE1 3.05Å
28V95Very high95.7Very high91 Ų9193.6 Ų93.655%0.55246%0.458SS*.Hα-helixtrans-72.9-33.2-179.7176.40000111.6A24 I25 E26 K30 W31A24-V28 WeakPolarHBondContact O-CG2 3.08Å; A24-V28 PolarHBondContact O-N 3.05Å; I25-V28 PolarHBondContact O-N 2.88Å; I25-V28 VanDerWaalsContact O-N 3.12Å; E26-V28 PolarHBondContact O-N 3.4Å; V28-K30 PolarHBondContact O-N 3.16Å; V28-W31 VanDerWaalsContact O-CB 3.31Å; V28-W31 WeakPolarHBondContact O-CB 3.26Å; V28-W31 PolarHBondContact O-N 2.8Å
29R95Very high95.5Very high186 Ų18691.9 Ų91.970%0.70247%0.467SS*.Hα-helixtrans-60.1-27.5174.2-80.6-171.6162.5118.86.6113.2I25 E26 W31I25-R29 HydrophobicContact CG2-CG 4.25Å; I25-R29 WeakPolarHBondContact O-CB 3.38Å; I25-R29 WeakPolarHBondContact O-CG 3.31Å; I25-R29 PolarHBondContact O-N 3.35Å; E26-R29 PolarHBondContact O-N 3.44Å; R29-W31 PolarHBondContact O-N 3.12Å
30K93.5Very high95.2Very high80 Ų8094.7 Ų94.735%0.34849%0.487SS..THydrogen-bonded Turntrans-85.822.7174.2-64.3-175.2175.7-165.50113.1E26 K27 V28 V51 D53E26-K30 PolarHBondContact O-N 2.96Å; E26-K30 WeakPolarHBondContact OE1-CE 3.06Å; K27-K30 PolarHBondContact O-N 3.25Å; V28-K30 PolarHBondContact O-N 3.16Å; K30-V51 WeakPolarHBondContact O-CA 3.24Å; K30-V51 WeakPolarHBondContact O-CB 3.33Å; K30-V51 WeakPolarHBondContact O-CG2 3.46Å; K30-V51 PolarHBondContact O-N 2.92Å; K30-D53 IonicContact NZ-OD1 3.03Å; K30-D53 IonicContact NZ-OD2 3.86Å; K30-D53 PolarHBondContact NZ-OD2 3.22Å
31W96.1Very high95.1Very high113 Ų11392.2 Ų92.243%0.42848%0.483SS..EExtended strand (participates in β ladder)trans-94.3134.3173.9-72.931000109.7K27 V28 R29 W48 V49 P50K27-W31 PolarHBondContact O-NE1 3.05Å; V28-W31 VanDerWaalsContact O-CB 3.31Å; V28-W31 WeakPolarHBondContact O-CB 3.26Å; V28-W31 PolarHBondContact O-N 2.8Å; R29-W31 PolarHBondContact O-N 3.12Å; W31-W48 HydrophobicContact CB-CB 4.45Å; W31-W48 HydrophobicContact CB-CE3 4.16Å; W31-W48 HydrophobicContact CD2-CB 4.49Å; W31-W48 HydrophobicContact CE3-CB 3.52Å; W31-W48 HydrophobicContact CZ3-CB 4.16Å; W31-V49 WeakPolarHBondContact CA-O 3.41Å; W31-P50 HydrophobicContact CZ2-CG 4.27Å
32E95.3Very high94.8Very high45 Ų4593.9 Ų93.921%0.2150%0.498CS..EExtended strand (participates in β ladder)trans-110.8140.2175.962.5178.3175.300110.9K34 V49 V51E32-K34 HydrophobicContact CG-CG 3.97Å; E32-K34 PolarHBondContact O-N 3.49Å; E32-K34 WeakPolarHBondContact OE1-CE 3.26Å; E32-K34 IonicContact OE1-NZ 3.34Å; E32-K34 PolarHBondContact OE1-NZ 3.42Å; E32-K34 WeakPolarHBondContact OE2-CE 3.45Å; E32-K34 IonicContact OE2-NZ 3.01Å; E32-K34 PolarHBondContact OE2-NZ 3.36Å; E32-V49 HydrophobicContact CG-CG2 3.81Å; E32-V49 PolarHBondContact N-O 3.5Å; E32-V49 WeakPolarHBondContact O-CG2 3.35Å; E32-V49 PolarHBondContact O-N 3.12Å; E32-V51 HydrophobicContact CB-CG2 3.46Å; E32-V51 VanDerWaalsContact CB-CG2 3.46Å; E32-V51 HydrophobicContact CG-CG2 3.39Å
33K96.3Very high94.7Very high115 Ų11593.7 Ų93.750%0.550%0.497SS..EExtended strand (participates in β ladder)trans-77.5115.6174-174.5173177.2177.40108.9F46 W48K33-F46 HydrophobicContact CD-CB 4.23Å; K33-F46 HydrophobicContact CD-CD1 4.04Å; K33-F46 HydrophobicContact CD-CE1 4.41Å; K33-F46 HydrophobicContact CD-CG 4.09Å; K33-F46 HydrophobicContact CG-CB 3.89Å; K33-F46 HydrophobicContact CG-CD1 3.46Å; K33-F46 VanDerWaalsContact CG-CD1 3.46Å; K33-F46 HydrophobicContact CG-CE1 4.04Å; K33-F46 HydrophobicContact CG-CG 3.86Å; K33-W48 HydrophobicContact CB-CD2 4.35Å; K33-W48 HydrophobicContact CB-CE3 4.06Å; K33-W48 HydrophobicContact CB-CH2 4.18Å; K33-W48 HydrophobicContact CB-CZ2 4.46Å; K33-W48 HydrophobicContact CB-CZ3 3.98Å; K33-W48 HydrophobicContact CD-CZ2 4.49Å
34K95Very high94.7Very high68 Ų6897.7 Ų97.730%0.29650%0.501SS..EExtended strand (participates in β ladder)trans-126.1145.3178.2-70-75.4175.4159.30111.6E32 V36 F46 K47 V49E32-K34 HydrophobicContact CG-CG 3.97Å; E32-K34 PolarHBondContact O-N 3.49Å; E32-K34 WeakPolarHBondContact OE1-CE 3.26Å; E32-K34 IonicContact OE1-NZ 3.34Å; E32-K34 PolarHBondContact OE1-NZ 3.42Å; E32-K34 WeakPolarHBondContact OE2-CE 3.45Å; E32-K34 IonicContact OE2-NZ 3.01Å; E32-K34 PolarHBondContact OE2-NZ 3.36Å; K34-V36 PolarHBondContact O-N 3.26Å; K34-F46 CarbonylContact O-C 3.6Å; K34-F46 WeakPolarHBondContact O-CA 3.49Å; K34-K47 PolarHBondContact N-O 3.42Å; K34-K47 PolarHBondContact O-N 3.19Å; K34-V49 HydrophobicContact CB-CG2 3.86Å; K34-V49 HydrophobicContact CG-CG2 3.54Å
35W96Very high94.7Very high124 Ų12499.7 Ų99.747%0.4750%0.504SS..EExtended strand (participates in β ladder)trans-71.7116.2167.7-72.4115.8000110.2R44 I45 F46W35-R44 HydrophobicContact CB-CB 4.33Å; W35-R44 VanDerWaalsContact CB-NH2 3.3Å; W35-R44 HydrophobicContact CD2-CB 4.49Å; W35-R44 HydrophobicContact CE3-CB 3.93Å; W35-R44 WeakPolarHBondContact CZ3-O 3.32Å; W35-I45 CarbonylContact C-O 3.57Å; W35-I45 WeakPolarHBondContact CA-O 3.49Å; W35-I45 VanDerWaalsContact CE3-C 3.45Å; W35-F46 AromaticContact CD1-CE1 3.54Å; W35-F46 AromaticContact CD1-CZ 3.93Å; W35-F46 AromaticContact CD2-CD1 3.71Å; W35-F46 HydrophobicContact CD2-CD1 3.71Å; W35-F46 HydrophobicContact CD2-CD2 4.09Å; W35-F46 AromaticContact CD2-CE1 3.64Å; W35-F46 HydrophobicContact CD2-CE1 3.64Å; W35-F46 HydrophobicContact CD2-CE2 4.04Å; W35-F46 AromaticContact CD2-CG 3.98Å; W35-F46 HydrophobicContact CD2-CG 3.98Å; W35-F46 AromaticContact CD2-CZ 3.82Å; W35-F46 HydrophobicContact CD2-CZ 3.82Å; W35-F46 AromaticContact CE2-CD1 3.89Å; W35-F46 AromaticContact CE2-CD2 3.85Å; W35-F46 AromaticContact CE2-CE1 3.37Å; W35-F46 AromaticContact CE2-CE2 3.33Å; W35-F46 AromaticContact CE2-CZ 3.07Å; W35-F46 HydrophobicContact CE3-CD1 4.08Å; W35-F46 AromaticContact CE3-CD2 3.98Å; W35-F46 HydrophobicContact CE3-CD2 3.98Å; W35-F46 HydrophobicContact CE3-CE1 4.4Å; W35-F46 HydrophobicContact CE3-CE2 4.31Å; W35-F46 AromaticContact CE3-CG 3.9Å; W35-F46 HydrophobicContact CE3-CG 3.9Å; W35-F46 AromaticContact CG-CD1 3.98Å; W35-F46 HydrophobicContact CG-CD1 3.98Å; W35-F46 AromaticContact CG-CE1 3.79Å; W35-F46 HydrophobicContact CG-CE1 3.79Å; W35-F46 HydrophobicContact CG-CZ 4.33Å; W35-F46 AromaticContact CH2-CD2 3.39Å; W35-F46 HydrophobicContact CH2-CD2 3.39Å; W35-F46 AromaticContact CH2-CE2 3.32Å; W35-F46 HydrophobicContact CH2-CE2 3.32Å; W35-F46 HydrophobicContact CH2-CG 4.17Å; W35-F46 HydrophobicContact CH2-CZ 4.02Å; W35-F46 HydrophobicContact CZ2-CD1 4.42Å; W35-F46 AromaticContact CZ2-CD2 3.54Å; W35-F46 HydrophobicContact CZ2-CD2 3.54Å; W35-F46 AromaticContact CZ2-CE1 3.97Å; W35-F46 HydrophobicContact CZ2-CE1 3.97Å; W35-F46 AromaticContact CZ2-CE2 2.96Å; W35-F46 HydrophobicContact CZ2-CE2 2.96Å; W35-F46 HydrophobicContact CZ2-CG 4.26Å; W35-F46 AromaticContact CZ2-CZ 3.23Å; W35-F46 HydrophobicContact CZ2-CZ 3.23Å; W35-F46 AromaticContact CZ3-CD2 3.62Å; W35-F46 HydrophobicContact CZ3-CD2 3.62Å; W35-F46 AromaticContact CZ3-CE2 3.98Å; W35-F46 HydrophobicContact CZ3-CE2 3.98Å; W35-F46 AromaticContact CZ3-CG 3.98Å; W35-F46 HydrophobicContact CZ3-CG 3.98Å; W35-F46 AromaticContact NE1-CE1 3.26Å; W35-F46 VanDerWaalsContact NE1-CE1 3.26Å; W35-F46 AromaticContact NE1-CE2 3.91Å; W35-F46 AromaticContact NE1-CZ 3.14Å
36V95.3Very high94.7Very high54 Ų54100.7 Ų100.733%0.32751%0.506SS..EExtended strand (participates in β ladder)trans-112.9135.8175.6-178.80000108.5K34 R44 I45 K47 V49K34-V36 PolarHBondContact O-N 3.26Å; V36-R44 CarbonylContact O-C 3.54Å; V36-R44 WeakPolarHBondContact O-CA 3.44Å; V36-I45 PolarHBondContact N-O 3.34Å; V36-I45 PolarHBondContact O-N 2.83Å; V36-K47 HydrophobicContact CB-CB 4.44Å; V36-K47 HydrophobicContact CG2-CB 3.91Å; V36-V49 HydrophobicContact CG2-CG1 4.34Å
37T96.5Very high94.8Very high77 Ų77102 Ų10247%0.47251%0.51SS..EExtended strand (participates in β ladder)trans-74.4140.9177.6-51.90000110.6T41 L43T37-T41 WeakPolarHBondContact CG2-O 3.43Å; T37-L43 WeakPolarHBondContact CA-O 3.4Å; T37-L43 WeakPolarHBondContact CG2-O 3.5Å
38V95.9Very high95Very high66 Ų66102.1 Ų102.140%0.451%0.507SS..  trans-97.8113.3-179.4-174.10000109.6T41 L43 I45V38-T41 PolarHBondContact O-N 3.21Å; V38-L43 PolarHBondContact N-O 3.01Å; V38-I45 HydrophobicContact CG2-CB 4.08Å; V38-I45 HydrophobicContact CG2-CD1 3.38Å; V38-I45 HydrophobicContact CG2-CG1 3.51Å
39G91.2Very high95Very high70 Ų7099.3 Ų99.372%0.72249%0.49SS*.THydrogen-bonded Turntrans60.4-137.6178.100000112.8
40D91.6Very high95Very high164 Ų16494.5 Ų94.588%0.87748%0.482SS*.THydrogen-bonded Turntrans-93.92.6176.562.5-26.4000113.5
41T93.9Very high95Very high80 Ų8092.1 Ų92.149%0.49148%0.475SS..SBendtrans-84.7160.2-179.1-52.60000111.9T37 V38 L43T37-T41 WeakPolarHBondContact CG2-O 3.43Å; V38-T41 PolarHBondContact O-N 3.21Å; T41-L43 HydrophobicContact CG2-CB 4.05Å; T41-L43 PolarHBondContact O-N 2.89Å
42S91.3Very high94.3Very high120 Ų12091.4 Ų91.484%0.83948%0.483SS*.SBendtrans-72.5-1.8172.261.90000114.6
43L95.9Very high92.8Very high103 Ų10393.3 Ų93.354%0.53950%0.495SS..  trans-74.3138.6-177.5-166.367.5000111T37 V38 T41T37-L43 WeakPolarHBondContact CA-O 3.4Å; T37-L43 WeakPolarHBondContact CG2-O 3.5Å; V38-L43 PolarHBondContact N-O 3.01Å; T41-L43 HydrophobicContact CG2-CB 4.05Å; T41-L43 PolarHBondContact O-N 2.89Å
44R95.1Very high91Very high136 Ų13692.6 Ų92.651%0.51350%0.5SS..EExtended strand (participates in β ladder)trans-122.9137.4177.5-60.6172.871.9-1625109.4W35 V36W35-R44 HydrophobicContact CB-CB 4.33Å; W35-R44 VanDerWaalsContact CB-NH2 3.3Å; W35-R44 HydrophobicContact CD2-CB 4.49Å; W35-R44 HydrophobicContact CE3-CB 3.93Å; W35-R44 WeakPolarHBondContact CZ3-O 3.32Å; V36-R44 CarbonylContact O-C 3.54Å; V36-R44 WeakPolarHBondContact O-CA 3.44Å
45I96.8Very high89.1Confident90 Ų9096.1 Ų96.146%0.46252%0.515SS..EExtended strand (participates in β ladder)trans-122.2146177.7-63-178.7000109.2W35 V36 V38 K47W35-I45 CarbonylContact C-O 3.57Å; W35-I45 WeakPolarHBondContact CA-O 3.49Å; W35-I45 VanDerWaalsContact CE3-C 3.45Å; V36-I45 PolarHBondContact N-O 3.34Å; V36-I45 PolarHBondContact O-N 2.83Å; V38-I45 HydrophobicContact CG2-CB 4.08Å; V38-I45 HydrophobicContact CG2-CD1 3.38Å; V38-I45 HydrophobicContact CG2-CG1 3.51Å; I45-K47 PolarHBondContact O-N 3.41Å
46F96.6Very high87.1Confident87 Ų8794.4 Ų94.438%0.38251%0.512SS..EExtended strand (participates in β ladder)trans-73.3120.6170.7-79.4-63.4000111.3K33 K34 W35K33-F46 HydrophobicContact CD-CB 4.23Å; K33-F46 HydrophobicContact CD-CD1 4.04Å; K33-F46 HydrophobicContact CD-CE1 4.41Å; K33-F46 HydrophobicContact CD-CG 4.09Å; K33-F46 HydrophobicContact CG-CB 3.89Å; K33-F46 HydrophobicContact CG-CD1 3.46Å; K33-F46 VanDerWaalsContact CG-CD1 3.46Å; K33-F46 HydrophobicContact CG-CE1 4.04Å; K33-F46 HydrophobicContact CG-CG 3.86Å; K34-F46 CarbonylContact O-C 3.6Å; K34-F46 WeakPolarHBondContact O-CA 3.49Å; W35-F46 AromaticContact CD1-CE1 3.54Å; W35-F46 AromaticContact CD1-CZ 3.93Å; W35-F46 AromaticContact CD2-CD1 3.71Å; W35-F46 HydrophobicContact CD2-CD1 3.71Å; W35-F46 HydrophobicContact CD2-CD2 4.09Å; W35-F46 AromaticContact CD2-CE1 3.64Å; W35-F46 HydrophobicContact CD2-CE1 3.64Å; W35-F46 HydrophobicContact CD2-CE2 4.04Å; W35-F46 AromaticContact CD2-CG 3.98Å; W35-F46 HydrophobicContact CD2-CG 3.98Å; W35-F46 AromaticContact CD2-CZ 3.82Å; W35-F46 HydrophobicContact CD2-CZ 3.82Å; W35-F46 AromaticContact CE2-CD1 3.89Å; W35-F46 AromaticContact CE2-CD2 3.85Å; W35-F46 AromaticContact CE2-CE1 3.37Å; W35-F46 AromaticContact CE2-CE2 3.33Å; W35-F46 AromaticContact CE2-CZ 3.07Å; W35-F46 HydrophobicContact CE3-CD1 4.08Å; W35-F46 AromaticContact CE3-CD2 3.98Å; W35-F46 HydrophobicContact CE3-CD2 3.98Å; W35-F46 HydrophobicContact CE3-CE1 4.4Å; W35-F46 HydrophobicContact CE3-CE2 4.31Å; W35-F46 AromaticContact CE3-CG 3.9Å; W35-F46 HydrophobicContact CE3-CG 3.9Å; W35-F46 AromaticContact CG-CD1 3.98Å; W35-F46 HydrophobicContact CG-CD1 3.98Å; W35-F46 AromaticContact CG-CE1 3.79Å; W35-F46 HydrophobicContact CG-CE1 3.79Å; W35-F46 HydrophobicContact CG-CZ 4.33Å; W35-F46 AromaticContact CH2-CD2 3.39Å; W35-F46 HydrophobicContact CH2-CD2 3.39Å; W35-F46 AromaticContact CH2-CE2 3.32Å; W35-F46 HydrophobicContact CH2-CE2 3.32Å; W35-F46 HydrophobicContact CH2-CG 4.17Å; W35-F46 HydrophobicContact CH2-CZ 4.02Å; W35-F46 HydrophobicContact CZ2-CD1 4.42Å; W35-F46 AromaticContact CZ2-CD2 3.54Å; W35-F46 HydrophobicContact CZ2-CD2 3.54Å; W35-F46 AromaticContact CZ2-CE1 3.97Å; W35-F46 HydrophobicContact CZ2-CE1 3.97Å; W35-F46 AromaticContact CZ2-CE2 2.96Å; W35-F46 HydrophobicContact CZ2-CE2 2.96Å; W35-F46 HydrophobicContact CZ2-CG 4.26Å; W35-F46 AromaticContact CZ2-CZ 3.23Å; W35-F46 HydrophobicContact CZ2-CZ 3.23Å; W35-F46 AromaticContact CZ3-CD2 3.62Å; W35-F46 HydrophobicContact CZ3-CD2 3.62Å; W35-F46 AromaticContact CZ3-CE2 3.98Å; W35-F46 HydrophobicContact CZ3-CE2 3.98Å; W35-F46 AromaticContact CZ3-CG 3.98Å; W35-F46 HydrophobicContact CZ3-CG 3.98Å; W35-F46 AromaticContact NE1-CE1 3.26Å; W35-F46 VanDerWaalsContact NE1-CE1 3.26Å; W35-F46 AromaticContact NE1-CE2 3.91Å; W35-F46 AromaticContact NE1-CZ 3.14Å
47K96.4Very high85Confident122 Ų12297.4 Ų97.453%0.5353%0.525SS..EExtended strand (participates in β ladder)trans-118.9141.7169.9-164.4171.777.4172.90109.5K34 V36 I45 V49K34-K47 PolarHBondContact N-O 3.42Å; K34-K47 PolarHBondContact O-N 3.19Å; V36-K47 HydrophobicContact CB-CB 4.44Å; V36-K47 HydrophobicContact CG2-CB 3.91Å; I45-K47 PolarHBondContact O-N 3.41Å; K47-V49 HydrophobicContact CB-CG1 4.49Å; K47-V49 PolarHBondContact O-N 3.39Å
48W96.8Very high82.7Confident154 Ų154102.7 Ų102.758%0.58354%0.538SS*.EExtended strand (participates in β ladder)trans-75.5118167.5-65.1100.6000108.9W31 K33W31-W48 HydrophobicContact CB-CB 4.45Å; W31-W48 HydrophobicContact CB-CE3 4.16Å; W31-W48 HydrophobicContact CD2-CB 4.49Å; W31-W48 HydrophobicContact CE3-CB 3.52Å; W31-W48 HydrophobicContact CZ3-CB 4.16Å; K33-W48 HydrophobicContact CB-CD2 4.35Å; K33-W48 HydrophobicContact CB-CE3 4.06Å; K33-W48 HydrophobicContact CB-CH2 4.18Å; K33-W48 HydrophobicContact CB-CZ2 4.46Å; K33-W48 HydrophobicContact CB-CZ3 3.98Å; K33-W48 HydrophobicContact CD-CZ2 4.49Å
49V94.8Very high80.4Confident32 Ų32107.8 Ų107.819%0.19455%0.55CS.*EExtended strand (participates in β ladder)trans-115.8141.6179.8-63.30000109.6W31 E32 K34 V36 K47 V51W31-V49 WeakPolarHBondContact CA-O 3.41Å; E32-V49 HydrophobicContact CG-CG2 3.81Å; E32-V49 PolarHBondContact N-O 3.5Å; E32-V49 WeakPolarHBondContact O-CG2 3.35Å; E32-V49 PolarHBondContact O-N 3.12Å; K34-V49 HydrophobicContact CB-CG2 3.86Å; K34-V49 HydrophobicContact CG-CG2 3.54Å; V36-V49 HydrophobicContact CG2-CG1 4.34Å; K47-V49 HydrophobicContact CB-CG1 4.49Å; K47-V49 PolarHBondContact O-N 3.39Å; V49-V51 PolarHBondContact O-N 3.03Å
50P95Very high78.2Confident84 Ų84107.1 Ų107.155%0.54553%0.534SS..EExtended strand (participates in β ladder)trans-60.1130.8175.8-2232.6000111.3W31 T52W31-P50 HydrophobicContact CZ2-CG 4.27Å; P50-T52 PolarHBondContact O-N 2.71Å
51V92.4Very high76.1Confident31 Ų31107.7 Ų107.719%0.18853%0.529CS..  trans-80.2110.3170.9-177.70000107.8K30 E32 V49K30-V51 WeakPolarHBondContact O-CA 3.24Å; K30-V51 WeakPolarHBondContact O-CB 3.33Å; K30-V51 WeakPolarHBondContact O-CG2 3.46Å; K30-V51 PolarHBondContact O-N 2.92Å; E32-V51 HydrophobicContact CB-CG2 3.46Å; E32-V51 VanDerWaalsContact CB-CG2 3.46Å; E32-V51 HydrophobicContact CG-CG2 3.39Å; V49-V51 PolarHBondContact O-N 3.03Å
52T81.4Confident73.9Confident97 Ų97108.9 Ų108.960%0.59554%0.54SS*.  trans-78.5126.2163.955.40000108.1P50 T54P50-T52 PolarHBondContact O-N 2.71Å; T52-T54 PolarHBondContact O-N 2.91Å; T52-T54 PolarHBondContact O-OG1 2.96Å; T52-T54 PolarHBondContact OG1-OG1 3.18Å
53D63.8Low72.1Confident86 Ų86109.4 Ų109.446%0.4653%0.533SS..G310 helixtrans-56.6-0.5-172.8-89-39.8000115.5K30 K55 Q56K30-D53 IonicContact NZ-OD1 3.03Å; K30-D53 IonicContact NZ-OD2 3.86Å; K30-D53 PolarHBondContact NZ-OD2 3.22Å; D53-K55 PolarHBondContact O-N 2.73Å; D53-Q56 PolarHBondContact O-N 2.85Å
54T59.4Low69.7Low100 Ų100110.8 Ų110.861%0.61355%0.545SS*.G310 helixtrans-61.2-19.7174.115.90000114.8T52T52-T54 PolarHBondContact O-N 2.91Å; T52-T54 PolarHBondContact O-OG1 2.96Å; T52-T54 PolarHBondContact OG1-OG1 3.18Å
55K54.6Low67.2Low142 Ų142107.8 Ų107.862%0.61756%0.557SS**G310 helixtrans-101.9-15.4-179.8-62.3-162.9178.6-171.20115.1D53 I57 Y58 R59D53-K55 PolarHBondContact O-N 2.73Å; K55-I57 PolarHBondContact O-N 3.43Å; K55-Y58 PolarHBondContact O-N 3.21Å; K55-Y58 VanDerWaalsContact O-N 3.15Å; K55-R59 PolarHBondContact O-N 3.27Å; K55-R59 VanDerWaalsContact O-N 3.12Å
56Q53.7Low64.2Low88 Ų88110.1 Ų110.141%0.41157%0.566SS.*Hα-helixtrans-66-28.4177.4-72.8-7731.100111.6D53 Y58 R59 S60D53-Q56 PolarHBondContact O-N 2.85Å; Q56-Y58 PolarHBondContact O-N 2.88Å; Q56-Y58 VanDerWaalsContact O-N 3.13Å; Q56-R59 PolarHBondContact O-N 2.88Å; Q56-S60 WeakPolarHBondContact O-CB 3.45Å; Q56-S60 PolarHBondContact O-N 3.45Å; Q56-S60 PolarHBondContact O-OG 3.39Å; Q56-S60 PolarHBondContact OE1-OG 2.85Å
57I52.5Low61.9Low116 Ų116113 Ų11360%0.59559%0.591SS**Hα-helixtrans-60.4-27.6174.8-55.9170.5000112.3K55K55-I57 PolarHBondContact O-N 3.43Å
58Y46.7Very low59.5Low189 Ų189116.8 Ų116.874%0.74160%0.602SS**Hα-helixtrans-101.1-24.9-178.7-66.2-84.4000113.7K55 Q56K55-Y58 PolarHBondContact O-N 3.21Å; K55-Y58 VanDerWaalsContact O-N 3.15Å; Q56-Y58 PolarHBondContact O-N 2.88Å; Q56-Y58 VanDerWaalsContact O-N 3.13Å
59R48.6Very low57Low173 Ų173112.7 Ų112.765%0.65361%0.607SS**Hα-helixtrans-93.6-27.6177.3-169.7-179.2-78.7-159.1-6.1113.3K55 Q56 K61K55-R59 PolarHBondContact O-N 3.27Å; K55-R59 VanDerWaalsContact O-N 3.12Å; Q56-R59 PolarHBondContact O-N 2.88Å; R59-K61 VanDerWaalsContact C-N 3.29Å; R59-K61 PolarHBondContact O-N 3.45Å
60S45.3Very low54.6Low56 Ų56119.5 Ų119.539%0.39264%0.641SS.*G310 helixtrans-82.23.9-178.2-52.70000114.5Q56 S62 I63Q56-S60 WeakPolarHBondContact O-CB 3.45Å; Q56-S60 PolarHBondContact O-N 3.45Å; Q56-S60 PolarHBondContact O-OG 3.39Å; Q56-S60 PolarHBondContact OE1-OG 2.85Å; S60-S62 PolarHBondContact O-N 2.91Å; S60-I63 VanDerWaalsContact O-O 3.07Å
61K46.9Very low52Low175 Ų175125.1 Ų125.176%0.76166%0.657SS**G310 helixtrans-72-6.3175.4-70.7-171.8179.5-175.50114.3R59R59-K61 VanDerWaalsContact C-N 3.29Å; R59-K61 PolarHBondContact O-N 3.45Å
62S47.8Very low49.5Very low105 Ų105130 Ų13073%0.73468%0.682SS**G310 helixtrans-106.4-5.4178.8650000115.2S60S60-S62 PolarHBondContact O-N 2.91Å
63I53.5Low47.5Very low132 Ų132132.2 Ų132.268%0.67770%0.695SS**SBendtrans-145127.1177.3-66.2177.8000107.1S60S60-I63 VanDerWaalsContact O-O 3.07Å
64T45.7Very low46.2Very low131 Ų131133.3 Ų133.380%0.80471%0.705SS**  trans94.563.5-177.2-440000114.5
65G41.8Very low45.8Very low74 Ų74136.2 Ų136.276%0.76372%0.715SS**  trans-96125.8148.400000109.6
66E35.6Very low44.7Very low139 Ų139136.9 Ų136.965%0.6572%0.721SS**  trans72.595.4162.8-64.8-142.898.800120.4R68E66-R68 VanDerWaalsContact C-N 3.27Å; E66-R68 PolarHBondContact O-N 3.39Å; E66-R68 VanDerWaalsContact O-N 3.12Å; E66-R68 IonicContact OE1-CZ 2.82Å; E66-R68 IonicContact OE1-NE 2.92Å; E66-R68 PolarHBondContact OE1-NE 3.37Å; E66-R68 IonicContact OE1-NH2 3.98Å; E66-R68 PolarHBondContact OE1-NH2 3.41Å
67V46.5Very low44.4Very low148 Ų148139.6 Ų139.690%0.89774%0.738SS**  trans-61.989.8133.9179.90000108.3
68R47.6Very low43.8Very low201 Ų201138.4 Ų138.476%0.75874%0.74SS**  trans-163.9109.9160.6-140.4-172.9-57.7-110.8-1.5113.3E66E66-R68 VanDerWaalsContact C-N 3.27Å; E66-R68 PolarHBondContact O-N 3.39Å; E66-R68 VanDerWaalsContact O-N 3.12Å; E66-R68 IonicContact OE1-CZ 2.82Å; E66-R68 IonicContact OE1-NE 2.92Å; E66-R68 PolarHBondContact OE1-NE 3.37Å; E66-R68 IonicContact OE1-NH2 3.98Å; E66-R68 PolarHBondContact OE1-NH2 3.41Å
69G42.7Very low44Very low67 Ų67134.9 Ų134.969%0.69174%0.743SS**  trans74.2135.4171.200000112.3
70L44.6Very low43.8Very low175 Ų175131 Ų13192%0.91674%0.743SS**  -155143.851.5-63.5179.8000109.8
71K42.1Very low44.4Very low202 Ų202134.8 Ų134.888%0.87876%0.763SS**  trans-64.3146.8156.4-75.6178.6165.4-173.70108.7
72D38.9Very low44.9Very low133 Ų133133.9 Ų133.971%0.71177%0.766SS**  trans65.195.7150.1-164.628.5000118
73V38.4Very low45.3Very low145 Ų145135.4 Ų135.488%0.87977%0.766SS**  trans-145.293140.7-179.10000108.3
74V38Very low44.9Very low108 Ų108138.6 Ų138.666%0.65578%0.775SS**  trans-6.3128.9137.4166.50000116
75L50.4Low45.4Very low161 Ų161140.8 Ų140.884%0.84378%0.777SS**  trans40.4103.4141-170.4107.3000118.6
76E31Very low45.9Very low157 Ų157142.8 Ų142.873%0.73477%0.77SS**  trans-171.9106.7132.9-137.3-159.690.600108.9S78E76-S78 VanDerWaalsContact C-N 3.3Å; E76-S78 PolarHBondContact O-N 3.46Å; E76-S78 VanDerWaalsContact O-N 3.1Å
77N49Very low46.8Very low145 Ų145144.4 Ų144.478%0.77578%0.777SS**  18.969.5102.4-16833000115.8
78S39.1Very low47.5Very low90 Ų90142 Ų14263%0.62977%0.766SS**  trans-118.694154.849.50000109.3E76 S80E76-S78 VanDerWaalsContact C-N 3.3Å; E76-S78 PolarHBondContact O-N 3.46Å; E76-S78 VanDerWaalsContact O-N 3.1Å; S78-S80 PolarHBondContact O-N 3.06Å
79S51.1Low47.4Very low115 Ų115136.3 Ų136.380%0.80476%0.757SS**  trans-45.410615554.10000109.5
80S43.2Very low48.2Very low92 Ų92140.5 Ų140.564%0.64376%0.764SS**  trans-128.3103.1165.6510000108.5S78 L82S78-S80 PolarHBondContact O-N 3.06Å; S80-L82 PolarHBondContact O-N 3.25Å; S80-L82 VanDerWaalsContact O-N 3.13Å
81T58.3Low48.8Very low135 Ų135139.1 Ų139.183%0.82875%0.753SS**  trans-44.6102.7166.346.30000111.5
82L58Low49.6Very low157 Ų157134.6 Ų134.682%0.82275%0.746SS**  trans-128.786.1158.8-64.5175.6000104.5S80S80-L82 PolarHBondContact O-N 3.25Å; S80-L82 VanDerWaalsContact O-N 3.13Å
83D55.4Low50.7Low137 Ų137135.8 Ų135.873%0.73375%0.745SS**  59.98182.8-143.6-56.1000109.7
84F46Very low51.8Low198 Ų198136.6 Ų136.687%0.86874%0.744SS**  trans179.682.5150.7-83.2-62.4000104.8D86F84-D86 VanDerWaalsContact C-N 3.3Å; F84-D86 PolarHBondContact O-N 3.18Å
85Q55.4Low52.7Low178 Ų178136.9 Ų136.983%0.83275%0.751SS**  trans-66.399.2170.3-147.9161.722.300106.2E87Q85-E87 PolarHBondContact O-N 3.13Å; Q85-E87 VanDerWaalsContact O-N 3.09Å
86D51.9Low52.9Low115 Ų115135.9 Ų135.962%0.61575%0.746SS**  trans-64.1104.5176.9-171.3156.1000108F84 C88F84-D86 VanDerWaalsContact C-N 3.3Å; F84-D86 PolarHBondContact O-N 3.18Å; D86-C88 PolarHBondContact O-N 3.19Å; D86-C88 VanDerWaalsContact O-N 3.07Å; D86-C88 WeakPolarHBondContact OD2-CA 3.27Å; D86-C88 WeakPolarHBondContact OD2-CB 3.03Å; D86-C88 PolarHBondContact OD2-N 3.45Å; D86-C88 PolarHBondContact OD2-SG 3.36Å
87E55.9Low54.1Low173 Ų173135.5 Ų135.581%0.80875%0.747SS**SBendtrans-7116172.1-65.3-71111.200112.4Q85 S89Q85-E87 PolarHBondContact O-N 3.13Å; Q85-E87 VanDerWaalsContact O-N 3.09Å; E87-S89 PolarHBondContact O-N 3.48Å
88C59.8Low54.1Low98 Ų98138.7 Ų138.766%0.66275%0.75SS**  trans-94.142.3163.2-51.60000111D86 N90D86-C88 PolarHBondContact O-N 3.19Å; D86-C88 VanDerWaalsContact O-N 3.07Å; D86-C88 WeakPolarHBondContact OD2-CA 3.27Å; D86-C88 WeakPolarHBondContact OD2-CB 3.03Å; D86-C88 PolarHBondContact OD2-N 3.45Å; D86-C88 PolarHBondContact OD2-SG 3.36Å; C88-N90 VanDerWaalsContact C-N 3.32Å; C88-N90 PolarHBondContact O-N 3.33Å
89S45.5Very low54.5Low81 Ų81142.7 Ų142.757%0.56676%0.759SS**  trans-62.191.5173-169.30000110.7E87 Q91E87-S89 PolarHBondContact O-N 3.48Å; S89-Q91 VanDerWaalsContact C-N 3.32Å
90N59.6Low54.6Low156 Ų156142 Ų14283%0.83475%0.752SS**  trans-99.762.2145.7-71.6-70.8000107.5C88 S92C88-N90 VanDerWaalsContact C-N 3.32Å; C88-N90 PolarHBondContact O-N 3.33Å; N90-S92 PolarHBondContact O-N 3.48Å
91Q57.6Low54.6Low146 Ų146145.8 Ų145.868%0.68276%0.757SS**  trans-74.673.7163.5-79.9-169.564.300109.4S89 F93S89-Q91 VanDerWaalsContact C-N 3.32Å; Q91-F93 VanDerWaalsContact C-N 3.33Å; Q91-F93 HydrophobicContact CB-CD2 4.21Å; Q91-F93 HydrophobicContact CG-CD2 4.15Å; Q91-F93 HydrophobicContact CG-CE2 4.1Å; Q91-F93 PolarHBondContact O-N 3.3Å
92S58.7Low54Low107 Ų107148 Ų14875%0.74876%0.759SS**  trans-88.780.6155.9175.10000107N90 L94N90-S92 PolarHBondContact O-N 3.48Å; S92-L94 PolarHBondContact O-N 3.41Å
93F61.9Low53.2Low157 Ų157147.7 Ų147.769%0.68976%0.759SS**  trans-80.2102.9167-90.9-87.3000108.2Q91 S95Q91-F93 VanDerWaalsContact C-N 3.33Å; Q91-F93 HydrophobicContact CB-CD2 4.21Å; Q91-F93 HydrophobicContact CG-CD2 4.15Å; Q91-F93 HydrophobicContact CG-CE2 4.1Å; Q91-F93 PolarHBondContact O-N 3.3Å; F93-S95 PolarHBondContact O-N 3.12Å
94L61.8Low52.2Low163 Ų163146.5 Ų146.585%0.85376%0.761SS**  trans3362.4149.7-59.5174.7000116.3S92S92-L94 PolarHBondContact O-N 3.41Å
95S57.2Low52Low113 Ų113142.4 Ų142.479%0.7976%0.757SS**  trans-104.338.1173.363.20000112.9F93F93-S95 PolarHBondContact O-N 3.12Å
96D55.6Low51.3Low141 Ų141139.5 Ų139.575%0.75476%0.757SS**SBendtrans-159.599.1163.9-151.4-8.9000109.5
97I55.9Low50.5Low148 Ų148139.9 Ų139.976%0.75977%0.768SS**  trans16374.3160.7-79.8142.5000104
98Y48.9Very low49.6Very low212 Ų212136.6 Ų136.683%0.83176%0.764SS**  trans-16679148.9-90.7-68.7000107.1P100Y98-P100 HydrophobicContact CD1-CG 4.2Å
99Q47.5Very low48.7Very low174 Ų174136.6 Ų136.681%0.81377%0.765SS**  trans-117.574.9152.5-74.6-78.8-2300108.3K101Q99-K101 PolarHBondContact O-N 3.1Å
100P52.9Low48.3Very low100 Ų100141.2 Ų141.265%0.64978%0.778SS**  trans-84.294.9159.931.9-26.4000107.1Y98Y98-P100 HydrophobicContact CD1-CG 4.2Å
101K42.1Very low47.2Very low173 Ų173142.7 Ų142.775%0.75278%0.78SS**  trans-132.7115.8162.9-77.1-153179.4-178.70112.4Q99Q99-K101 PolarHBondContact O-N 3.1Å
102M46.8Very low46.2Very low180 Ų180139.5 Ų139.589%0.88778%0.778SS**  trans69.299.1150.475-172.7167.700118.9
103D41Very low45.3Very low152 Ų152139.3 Ų139.381%0.81378%0.777SS**  trans-51.4155.4139.9-55.3-80.4000112.2
104S35.1Very low44.1Very low111 Ų111140.5 Ų140.578%0.77678%0.784SS**  trans102.394.3158.5-450000117.4
105S41.1Very low43.6Very low112 Ų112137.5 Ų137.578%0.78378%0.783SS**  154.6121.897.6-69.60000113.7
106S40.7Very low42.5Very low118 Ų118139.1 Ų139.183%0.82579%0.788SS**  trans31.6116.1131.4-54.10000121.6
107S35.9Very low41.5Very low122 Ų122137.3 Ų137.385%0.85379%0.787SS**  trans-159.5101.7137.3-93.90000107.6
108S37.3Very low41.8Very low104 Ų104135.3 Ų135.373%0.72778%0.783SS**  71.9108.487.5-167.50000114.7
109S39.2Very low41.2Very low98 Ų98132.4 Ų132.469%0.68578%0.781SS**  trans71.2127.4140.7-51.10000118.8
110Q36.8Very low41.4Very low178 Ų178128.7 Ų128.783%0.83277%0.772SS**  178.4138.783.5-83.2179.9-4.200112.6
111H37.2Very low40.5Very low188 Ų188132 Ų13287%0.8778%0.779SS**  trans89.6136.2144.4-109.7-99000122.3
112A36.7Very low40.4Very low79 Ų79129.8 Ų129.865%0.65378%0.779SS**  trans-101.6-178.7-164.400000112.8
113S40.5Very low40.3Very low102 Ų102127.5 Ų127.571%0.71378%0.776SS**  trans81.4145.2166.4-600000116
114E36.8Very low40.2Very low182 Ų182126.5 Ų126.585%0.8578%0.776SS**  cis-171.9154.7-18.6-111.9165116.200104.2
115A50.8Low40.5Very low100 Ų100128.9 Ų128.983%0.82678%0.779SS**  trans-83.1136.9-176.300000112.9
116V34.5Very low40.5Very low148 Ų148133.8 Ų133.890%0.89778%0.78SS**  trans-176.8134.3144.447.90000110.7
117S34.2Very low40.3Very low103 Ų103133.9 Ų133.972%0.7278%0.776SS**  trans-95.2-171-179.4-159.50000110.9
118P62.3Low41.1Very low106 Ų106134.6 Ų134.669%0.68878%0.775SS**  -119-175.1-72.934-17000111.8
119L35.7Very low41.3Very low151 Ų151138.1 Ų138.179%0.79178%0.78SS**  trans153.1169.3134-133.275.2000112.9
120P51.8Low41.3Very low96 Ų96140.4 Ų140.462%0.62379%0.785SS**  -127.8151.1-99.442.9-26.4000113.6
121H33.2Very low42.1Very low170 Ų170137.1 Ų137.179%0.78779%0.788SS**  trans-156104.615714.3-78.6000113.2
122T41.2Very low43Very low125 Ų125135.2 Ų135.277%0.76778%0.78SS**  trans63.1138.6136.462.80000120.5
123T45.1Very low43.5Very low132 Ų132136.5 Ų136.581%0.8178%0.781SS**  trans79.899171.8-3.20000113.2
124T38.7Very low44.3Very low132 Ų132137.8 Ų137.881%0.8179%0.787SS**  -163.4129.455.1-65.60000109.6
125L41Very low45.1Very low160 Ų160136.9 Ų136.984%0.83879%0.785SS**  trans-74.8135.5172.5-68.2166.6000109.4
126R40.1Very low45.3Very low215 Ų215141 Ų14181%0.81179%0.792SS**SBendcis-148.9150.5-7-58.6-162.982.2-169.74.6108.9
127T37.6Very low46.4Very low120 Ų120137.4 Ų137.474%0.73678%0.784SS**  trans72.892.3150.5-41.50000119.3
128T51.9Low47Very low137 Ų137141.6 Ų141.684%0.8479%0.793SS**  trans-103.6117.2144-58.30000106.8
129E42.6Very low46.1Very low178 Ų178145.2 Ų145.283%0.83280%0.8SS**  trans165.290.7145.162.9-161.8130.400111
130D39.3Very low46.5Very low147 Ų147143.3 Ų143.379%0.78680%0.8SS**  trans177.998.7133.9-168.752.9000105.5Q132D130-Q132 PolarHBondContact O-N 3.42Å
131A51.9Low46.5Very low109 Ų109144.8 Ų144.890%0.90181%0.807SS**  trans-7676.5-174.300000110.3
132Q57.6Low46.9Very low148 Ų148143.9 Ų143.969%0.69281%0.808SS**PPolyproline II helixtrans-75.7133.4162.2-164.4177.9-97.400108.4D130D130-Q132 PolarHBondContact O-N 3.42Å
133P47Very low47.2Very low106 Ų106146.4 Ų146.469%0.68881%0.811SS**PPolyproline II helixtrans-65.7139.3177.127.2-32.7000109.6M135P133-M135 PolarHBondContact O-N 3.15Å
134P56Low47.1Very low128 Ų128145.3 Ų145.383%0.83181%0.806SS**PPolyproline II helixtrans-61.8126.4176.325-32000109.4L136P134-L136 PolarHBondContact O-N 3.27Å
135M55.6Low46.9Very low164 Ų164143.6 Ų143.681%0.80880%0.799SS**PPolyproline II helixtrans-64.8119.1172.2-71.5177.858.300108.9P133 G137P133-M135 PolarHBondContact O-N 3.15Å; M135-G137 PolarHBondContact O-N 3.14Å
136L53.5Low46.7Very low187 Ų187145.2 Ų145.298%0.97980%0.802SS**SBendtrans-60.5104.5169.5-170.4108000108.7P134P134-L136 PolarHBondContact O-N 3.27Å
137G57.8Low46.8Very low71 Ų71140.7 Ų140.773%0.73280%0.801SS**  trans153.938.9177.600000116.4M135 E139M135-G137 PolarHBondContact O-N 3.14Å; G137-E139 PolarHBondContact O-N 3.5Å
138Q46.8Very low46.9Very low192 Ų192139.6 Ų139.690%0.89780%0.804SS**  trans-97.784.6169-66.6-165.8-64.200109.9S140Q138-S140 PolarHBondContact O-N 3.25Å
139E43.1Very low46.4Very low181 Ų181141.8 Ų141.885%0.84681%0.805SS**  trans-69.5104.7153.7163.6-174.469.200107G137G137-E139 PolarHBondContact O-N 3.5Å
140S44.7Very low46.6Very low112 Ų112141.1 Ų141.178%0.78380%0.802SS**  trans-94.4104.7160.2560000107.2Q138 D142Q138-S140 PolarHBondContact O-N 3.25Å; S140-D142 PolarHBondContact O-N 3.26Å
141V51.8Low46.8Very low126 Ų126139.8 Ų139.876%0.76480%0.798SS**  trans-67.4119167.2110.50000107.4
142D41.3Very low46.2Very low151 Ų151138.8 Ų138.881%0.80779%0.79SS**  trans-148103.3155.7-152.4-108.9000108.1S140S140-D142 PolarHBondContact O-N 3.26Å
143E47.3Very low46Very low178 Ų178139.3 Ų139.383%0.83280%0.798SS**  trans-87.6136.8176.9167.9172.894.300109
144P43.5Very low46.4Very low109 Ų109141.3 Ų141.371%0.70880%0.798SS**  -143.6123.9123.425.8-5.3000115.1
145S35Very low46.5Very low96 Ų96139.5 Ų139.567%0.67179%0.786SS**  trans56.8102.9135.555.20000122.4
146Q36.6Very low46.6Very low194 Ų194137.8 Ų137.891%0.90779%0.787SS**  46.3161.4127.4-66-162.9-37.100122.4
147P41.9Very low46.4Very low120 Ų120133.8 Ų133.878%0.77977%0.771SS**  cis-131.5-179.65.535-13.2000115.8
148A40.6Very low46Very low98 Ų98138.6 Ų138.681%0.8178%0.779SS**  trans-46.8140.6-18000000117
149H39.6Very low46.6Very low183 Ų183137.3 Ų137.385%0.84778%0.776SS**  trans-131.7105.6147.9-170.6-84.2000108.7
150E48.2Very low47Very low164 Ų164137.4 Ų137.477%0.76677%0.774SS**  trans-75157.2169.8-169-179.195.200109.8
151V43.3Very low47.7Very low118 Ų118141.2 Ų141.272%0.71578%0.779SS**  trans98.7124.7162-172.80000118
152A39.6Very low47.7Very low88 Ų88141 Ų14173%0.72777%0.774SS**  trans87.7102.4155.400000120E154A152-E154 PolarHBondContact O-N 3.18Å
153D53.3Low48Very low160 Ų160140.5 Ų140.586%0.85677%0.77SS**  trans-25.3112.7136.4-160.9-55.8000113.7
154E55.4Low47.6Very low147 Ų147138.2 Ų138.269%0.68777%0.768SS**  trans-142.4122155.5-162.2-164.6123.100109.7A152 T157A152-E154 PolarHBondContact O-N 3.18Å; E154-T157 VanDerWaalsContact OE1-CG2 3.31Å; E154-T157 WeakPolarHBondContact OE1-CG2 3.35Å
155P58.4Low47.6Very low90 Ų90141.1 Ų141.158%0.58478%0.777SS**  trans-73.3153.9172.230.9-33.9000110.8T157P155-T157 PolarHBondContact O-N 2.81Å
156P56.1Low48.2Very low129 Ų129142.3 Ų142.384%0.83878%0.783SS**  trans-61.3115.2-174.425.1-33.5000111.3L158P156-L158 PolarHBondContact O-N 3.07Å
157T50.7Low48.1Very low102 Ų102140.7 Ų140.763%0.62678%0.779SS**  trans-65.7120.917454.50000110.3E154 P155 I159E154-T157 VanDerWaalsContact OE1-CG2 3.31Å; E154-T157 WeakPolarHBondContact OE1-CG2 3.35Å; P155-T157 PolarHBondContact O-N 2.81Å; T157-I159 PolarHBondContact O-N 3.49Å; T157-I159 VanDerWaalsContact O-N 3.15Å
158L48.6Very low47.8Very low172 Ų172138.7 Ų138.790%0.90178%0.781SS**  trans-55.7112.9168.7-69.2169.8000109.7P156 K160P156-L158 PolarHBondContact O-N 3.07Å; L158-K160 PolarHBondContact O-N 2.77Å
159I59.4Low47.7Very low166 Ų166139.8 Ų139.885%0.85178%0.777SS**  trans-67116170.750.7168.6000109.2T157 E161T157-I159 PolarHBondContact O-N 3.49Å; T157-I159 VanDerWaalsContact O-N 3.15Å; I159-E161 PolarHBondContact O-N 2.92Å
160K52.3Low47.5Very low182 Ų182141.5 Ų141.579%0.79178%0.776SS**  trans-78.9107.5174.6-174.3-178.876.7171.10108.3L158 D162L158-K160 PolarHBondContact O-N 2.77Å; K160-D162 PolarHBondContact O-N 3.09Å
161E59Low47.1Very low193 Ų193139.8 Ų139.890%0.90278%0.776SS**  trans-74.4101.1163.358-168.1102.500109I159I159-E161 PolarHBondContact O-N 2.92Å
162D50.6Low46.7Very low121 Ų121142.9 Ų142.965%0.64778%0.78SS**  trans-87.9168.2161.6-177.535.4000108.5K160K160-D162 PolarHBondContact O-N 3.09Å
163L48.6Very low46.6Very low140 Ų140144 Ų14473%0.73378%0.778SS**  trans97.388.1174.3-45.1-175.5000115.3
164V38.5Very low45.9Very low130 Ų130142.3 Ų142.379%0.78878%0.776SS**  167.6108.392.8170.40000108.6
165L44.9Very low44.9Very low170 Ų170140.6 Ų140.689%0.8978%0.779SS**  trans-97.6142.9159.3-71.1171.5000109.1
166P46.7Very low43.5Very low122 Ų122142.1 Ų142.179%0.79279%0.787SS**  trans-96.5115.8151.7-2.421.9000110.5
167L35.3Very low42.5Very low160 Ų160144.1 Ų144.184%0.83879%0.785SS**  trans-28.6131159.5-170.371.5000115.5V169L167-V169 HydrophobicContact CD1-CG2 3.96Å; L167-V169 HydrophobicContact CG-CG2 4.35Å
168G35.8Very low41.8Very low78 Ų78148.2 Ų148.280%0.80480%0.797SS**  trans-154.375.7168.300000111.3
169V37.1Very low41.3Very low120 Ų120148.8 Ų148.873%0.72780%0.795SS**  trans-55.7129.2177.21680000112.4L167L167-V169 HydrophobicContact CD1-CG2 3.96Å; L167-V169 HydrophobicContact CG-CG2 4.35Å
170R35.7Very low40.5Very low219 Ų219150 Ų15083%0.82680%0.797SS**  -164.1111.5120.8-148174.8-174.2-161.93.8113.3
171V40.4Very low39.8Very low128 Ų128144.7 Ų144.778%0.77679%0.794SS**  trans-66.7133.2161.1168.70000109.9
172K34Very low39.4Very low184 Ų184141.6 Ų141.680%0.879%0.793SS**  trans-163.5104.4141-124.8177.6-179.6-175.10111.5
173T37.2Very low38.8Very low112 Ų112139.6 Ų139.669%0.68780%0.802SS**  trans-84.9151.3147.2-24.20000107
174P38.5Very low38.8Very low124 Ų124136.9 Ų136.981%0.80580%0.799SS**  -138.5157.389.129.9-11.3000114.3
175C34.3Very low39.5Very low110 Ų110136.1 Ų136.174%0.74380%0.797SS**  trans-58.5144.1175.7-53.30000112.9
176T29.2Very low40Very low123 Ų123134 Ų13476%0.75579%0.793SS**  trans-164.4110.2142-62.30000108.6
177E36Very low40.4Very low170 Ų170136.1 Ų136.179%0.79480%0.797SS**  trans39.3136130.4-42.6-175.8144.300121.1
178E36.2Very low41.8Very low188 Ų188137.9 Ų137.988%0.87980%0.798SS**  trans106.2138.3148.2-45.6-14312800119.8
179E38.3Very low43Very low185 Ų185143.9 Ų143.986%0.86480%0.802SS**  trans9192.7157.9-130-177.8120.400120.5
180E43Very low43.6Very low191 Ų191144.4 Ų144.489%0.89381%0.805SS**  2.8118.6128.4-160.4177.3137.300117
181G37.3Very low43.9Very low71 Ų71139.9 Ų139.973%0.73281%0.806SS**  trans172.890.1171.700000115.2G183G181-G183 PolarHBondContact O-N 3.13Å
182S49.2Very low44.1Very low127 Ų127139.6 Ų139.689%0.88881%0.805SS**  trans-2.8106157.7-168.60000117
183G38.6Very low44.7Very low80 Ų80139.5 Ų139.583%0.82581%0.807SS**  trans-111.562.1178.700000113.6G181G181-G183 PolarHBondContact O-N 3.13Å
184A48.6Very low45.2Very low82 Ų82143.7 Ų143.768%0.67882%0.816SS**PPolyproline II helixtrans-79.2136.3164.600000110
185P52.3Low45.5Very low114 Ų114147.3 Ų147.374%0.7482%0.819SS**PPolyproline II helixtrans-71.8142.2-178.628.5-33000111.4L187P185-L187 PolarHBondContact O-N 3.5Å
186P57.1Low46.3Very low125 Ų125146.2 Ų146.281%0.81282%0.817SS**PPolyproline II helixtrans-68.8127.3-174.226.1-33000112.2
187L55.2Low47.1Very low167 Ų167146.5 Ų146.587%0.87482%0.819SS**PPolyproline II helixtrans-65.8137.5173.4-68.9168.6000110.9P185P185-L187 PolarHBondContact O-N 3.5Å
188K63.5Low47.9Very low198 Ų198146 Ų14686%0.86182%0.821SS**PPolyproline II helixtrans-63.9131.5-173.1-46.6-167.9-177.4-170.50110.2V190K188-V190 PolarHBondContact O-N 3.01Å
189K60.5Low48.4Very low203 Ų203152 Ų15288%0.88384%0.835SS**PPolyproline II helixtrans-62.7121.6180-50.2-75-172.1175.40109.3
190V51.3Low48.9Very low132 Ų132150.3 Ų150.380%0.883%0.834SS**PPolyproline II helixtrans-73.5122.2166.5170.40000107.7K188 T192K188-V190 PolarHBondContact O-N 3.01Å; V190-T192 PolarHBondContact O-N 2.84Å
191C41.1Very low49.2Very low123 Ų123148.2 Ų148.283%0.83183%0.831SS**  trans-78.5110.8173.5-1650000108.6E193C191-E193 PolarHBondContact O-N 2.94Å
192T44Very low49.9Very low123 Ų123152.4 Ų152.476%0.75584%0.836SS**  trans-76.7100.6173-19.90000108.7V190 K194V190-T192 PolarHBondContact O-N 2.84Å; T192-K194 PolarHBondContact O-N 3.1Å
193E47.1Very low49.9Very low182 Ų182153.9 Ų153.985%0.8583%0.833SS**  trans-68121172.3-178.6162.232.500110.1C191 K195C191-E193 PolarHBondContact O-N 2.94Å; E193-K195 PolarHBondContact O-N 3.42Å
194K49.1Very low50.6Low199 Ų199158.6 Ų158.687%0.86583%0.833SS**  trans-89.4101.9-178.8-47.3175.6-169.2170.50107.7T192 A196T192-K194 PolarHBondContact O-N 3.1Å; K194-A196 PolarHBondContact O-N 3.36Å; K194-A196 VanDerWaalsContact O-N 3.14Å
195K44.3Very low50.7Low201 Ų201163.7 Ų163.787%0.87484%0.844SS**  trans-69.5104.6174.1-167.6178.2-176.8177.10109.7E193 V197E193-K195 PolarHBondContact O-N 3.42Å; K195-V197 PolarHBondContact O-N 3.02Å
196A49.8Very low50.6Low86 Ų86167.2 Ų167.271%0.71185%0.851SS**  trans-75.1119.8169.900000109.6K194 L198K194-A196 PolarHBondContact O-N 3.36Å; K194-A196 VanDerWaalsContact O-N 3.14Å; A196-L198 PolarHBondContact O-N 3.37Å
197V47.3Very low50.1Low129 Ų129170.5 Ų170.578%0.78285%0.854SS**  trans-77.6112.1168166.50000107.5K195K195-V197 PolarHBondContact O-N 3.02Å
198L51.3Low49.7Very low161 Ų161170.8 Ų170.884%0.84385%0.853SS**  trans-81.8129.6159.9-100.686000108.6A196A196-L198 PolarHBondContact O-N 3.37Å
199R47.2Very low48.4Very low312 Ų312168.3 Ų168.3100%1.17785%0.852SS**  trans-80.80161.9-85.5-170.9178.9109.7-2.1109.9

Retrieved 199 of 199 residues in 25.3 ms (Link to these results)