A0A077YW14_TRITR Loading...

Alba domain containing protein

AlphaFold DB , UniProt , Accession A0A077YW14, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 191 aa.

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

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
1M34.5Very low47.3Very low245 Ų245125.5 Ų125.5100%1.20762%0.624SS**  0101.40-72.2-177.8-134.800105.8
2E37Very low48.8Very low192 Ų192118.3 Ų118.390%0.89759%0.589SS**  trans-85.6110.8176.7-132.5173.1162.500106.2L4E2-L4 PolarHBondContact O-N 3.29Å
3E36.8Very low50.3Low194 Ų194118.4 Ų118.491%0.90759%0.587SS**PPolyproline II helixtrans-66.7117.9176.2-73.5-165.3153.100109.2
4L39.1Very low52Low114 Ų114113.9 Ų113.960%0.59757%0.566SS**PPolyproline II helixtrans-65.2134.1171.2-101.287.6000109.4E2 D8E2-L4 PolarHBondContact O-N 3.29Å; L4-D8 HydrophobicContact CD2-CB 4.29Å
5N42.2Very low53.7Low92 Ų92106.5 Ų106.549%0.49253%0.529SS..PPolyproline II helixtrans-66.5133.3178.3-165.3-32.6000109.2K7 D8N5-K7 PolarHBondContact O-N 3.26Å; N5-D8 WeakPolarHBondContact O-CB 3.24Å; N5-D8 PolarHBondContact O-N 3Å
6P41.1Very low55Low100 Ų100104.5 Ų104.565%0.64952%0.52SS*.Hα-helixtrans-58.7-15.6-174.819.2-33.4000115.1D8P6-D8 VanDerWaalsContact C-N 3.3Å
7K49.2Very low56.3Low168 Ų168106.4 Ų106.473%0.7353%0.531SS*.Hα-helixtrans-75.3-18.1172.1-67.6-176.6-180178.30113.5N5 K31N5-K7 PolarHBondContact O-N 3.26Å; K7-K31 PolarHBondContact O-NZ 2.89Å
8D55.2Low57.6Low64 Ų64102.2 Ų102.234%0.34251%0.511SS..Hα-helixtrans-82.8-26.8177.4-62.8-30.5000111.3L4 N5 P6 A11 L12 K31L4-D8 HydrophobicContact CD2-CB 4.29Å; N5-D8 WeakPolarHBondContact O-CB 3.24Å; N5-D8 PolarHBondContact O-N 3Å; P6-D8 VanDerWaalsContact C-N 3.3Å; D8-A11 PolarHBondContact O-N 3.32Å; D8-L12 PolarHBondContact O-N 3.03Å; D8-K31 WeakPolarHBondContact OD1-CE 3.42Å; D8-K31 IonicContact OD1-NZ 3.93Å; D8-K31 PolarHBondContact OD1-NZ 3Å
9D55.9Low58.8Low70 Ų7096.8 Ų96.837%0.37448%0.484SS..Hα-helixtrans-61.6-47.8177.9-62.6-21.6000112.6A11 L12 E13D9-A11 VanDerWaalsContact C-N 3.25Å; D9-A11 PolarHBondContact O-N 3.28Å; D9-L12 CarbonylContact O-C 3.31Å; D9-L12 WeakPolarHBondContact O-CA 3.17Å; D9-L12 WeakPolarHBondContact O-CB 3.36Å; D9-L12 PolarHBondContact O-N 2.72Å; D9-E13 WeakPolarHBondContact O-CG 3.47Å; D9-E13 PolarHBondContact O-N 3.35Å
10K65.3Low59.8Low128 Ų12896.8 Ų96.856%0.55749%0.491SS*.Hα-helixtrans-60.9-35.1178.3-168.1179.6-177-172.50112.7L12 N14K10-L12 VanDerWaalsContact C-N 3.34Å; K10-N14 WeakPolarHBondContact O-CB 3.45Å; K10-N14 VanDerWaalsContact O-CG 3.29Å; K10-N14 PolarHBondContact O-N 2.76Å; K10-N14 VanDerWaalsContact O-N 3.09Å
11A64.2Low60.8Low14 Ų1495 Ų9512%0.11648%0.48CS..Hα-helixtrans-69.6-37.517600000110.8D8 D9 L15 K31D8-A11 PolarHBondContact O-N 3.32Å; D9-A11 VanDerWaalsContact C-N 3.25Å; D9-A11 PolarHBondContact O-N 3.28Å; A11-L15 WeakPolarHBondContact O-CB 3.42Å; A11-L15 WeakPolarHBondContact O-CG 3.4Å; A11-L15 PolarHBondContact O-N 3.5Å; A11-K31 VanDerWaalsContact CB-CE 3.42Å
12L65.5Low62.9Low38 Ų3884.1 Ų84.120%0.19943%0.427CS..Hα-helixtrans-68.7-41.1176.5-168.265.2000112.1D8 D9 K10 L15 I16 V29D8-L12 PolarHBondContact O-N 3.03Å; D9-L12 CarbonylContact O-C 3.31Å; D9-L12 WeakPolarHBondContact O-CA 3.17Å; D9-L12 WeakPolarHBondContact O-CB 3.36Å; D9-L12 PolarHBondContact O-N 2.72Å; K10-L12 VanDerWaalsContact C-N 3.34Å; L12-L15 WeakPolarHBondContact O-CB 3.37Å; L12-L15 PolarHBondContact O-N 3.24Å; L12-L15 VanDerWaalsContact O-N 3.14Å; L12-I16 HydrophobicContact CG-CD1 4.27Å; L12-I16 WeakPolarHBondContact O-CG1 3.46Å; L12-I16 PolarHBondContact O-N 2.66Å; L12-V29 HydrophobicContact CD1-CG2 4.42Å
13E67.7Low64.9Low120 Ų12077.5 Ų77.556%0.56140%0.402SS*.Hα-helixtrans-58.7-48.5173.4-72.5176.7172.500111.3D9 L15 I16 L17D9-E13 WeakPolarHBondContact O-CG 3.47Å; D9-E13 PolarHBondContact O-N 3.35Å; E13-L15 VanDerWaalsContact C-N 3.26Å; E13-L15 PolarHBondContact O-N 2.84Å; E13-I16 PolarHBondContact O-N 3.42Å; E13-L17 WeakPolarHBondContact O-CG 3.37Å; E13-L17 PolarHBondContact O-N 2.94Å
14N74.8Confident66.7Low55 Ų5571.1 Ų71.129%0.29438%0.378SS..Hα-helixtrans-59.8-38.3174.7-73.4-7.5000111.7K10 L17 L18K10-N14 WeakPolarHBondContact O-CB 3.45Å; K10-N14 VanDerWaalsContact O-CG 3.29Å; K10-N14 PolarHBondContact O-N 2.76Å; K10-N14 VanDerWaalsContact O-N 3.09Å; N14-L17 PolarHBondContact O-N 3.39Å; N14-L18 WeakPolarHBondContact O-CB 3.41Å; N14-L18 WeakPolarHBondContact O-CG 3.37Å; N14-L18 PolarHBondContact O-N 3.49Å
15L77.4Confident68.5Low3 Ų374.3 Ų74.32%0.01639%0.387CS..Hα-helixtrans-68.2-37.8177.6-74.6171.6000113.1A11 L12 E13 L17 L18 Y19 V29 V58 V60 Y138A11-L15 WeakPolarHBondContact O-CB 3.42Å; A11-L15 WeakPolarHBondContact O-CG 3.4Å; A11-L15 PolarHBondContact O-N 3.5Å; L12-L15 WeakPolarHBondContact O-CB 3.37Å; L12-L15 PolarHBondContact O-N 3.24Å; L12-L15 VanDerWaalsContact O-N 3.14Å; E13-L15 VanDerWaalsContact C-N 3.26Å; E13-L15 PolarHBondContact O-N 2.84Å; L15-L17 VanDerWaalsContact C-N 3.33Å; L15-L18 PolarHBondContact O-N 2.96Å; L15-Y19 HydrophobicContact CD2-CD2 4.2Å; L15-Y19 HydrophobicContact CD2-CE2 4.08Å; L15-Y19 PolarHBondContact O-N 3.38Å; L15-V29 HydrophobicContact CD1-CB 4.26Å; L15-V29 HydrophobicContact CD1-CG1 3.77Å; L15-V29 HydrophobicContact CD1-CG2 3.44Å; L15-V29 VanDerWaalsContact CD1-CG2 3.44Å; L15-V58 HydrophobicContact CD2-CB 4.1Å; L15-V58 HydrophobicContact CD2-CG1 3.51Å; L15-V58 HydrophobicContact CD2-CG2 4.22Å; L15-V60 HydrophobicContact CD2-CG2 4.48Å; L15-Y138 HydrophobicContact CD2-CD1 3.66Å; L15-Y138 HydrophobicContact CD2-CE1 4.3Å
16I74.4Confident70.4Confident75 Ų7573.9 Ų73.939%0.38538%0.382SS..Hα-helixtrans-65.6-40176.1-68.4164.3000109.9L12 E13 Y19 P20L12-I16 HydrophobicContact CG-CD1 4.27Å; L12-I16 WeakPolarHBondContact O-CG1 3.46Å; L12-I16 PolarHBondContact O-N 2.66Å; E13-I16 PolarHBondContact O-N 3.42Å; I16-Y19 CarbonylContact O-C 3.56Å; I16-Y19 VanDerWaalsContact O-C 3.31Å; I16-P20 WeakPolarHBondContact O-CA 3.47Å
17L77.6Confident72.6Confident136 Ų13669.6 Ų69.671%0.71235%0.354SS*.Hα-helixtrans-64.2-40.9173.3-69.1174.2000112.2E13 N14 L15E13-L17 WeakPolarHBondContact O-CG 3.37Å; E13-L17 PolarHBondContact O-N 2.94Å; N14-L17 PolarHBondContact O-N 3.39Å; L15-L17 VanDerWaalsContact C-N 3.33Å
18L78.7Confident74.6Confident32 Ų3261.8 Ų61.817%0.16832%0.321CS..Hα-helixtrans-74-30.9-179.6-73.2172000112.9N14 L15 K92 Y138N14-L18 WeakPolarHBondContact O-CB 3.41Å; N14-L18 WeakPolarHBondContact O-CG 3.37Å; N14-L18 PolarHBondContact O-N 3.49Å; L15-L18 PolarHBondContact O-N 2.96Å; L18-K92 HydrophobicContact CB-CD 4.06Å; L18-K92 HydrophobicContact CD2-CB 4.16Å; L18-K92 HydrophobicContact CD2-CD 3.72Å; L18-K92 HydrophobicContact CG-CD 4.46Å; L18-K92 WeakPolarHBondContact O-CD 3.45Å; L18-K92 WeakPolarHBondContact O-CE 3.1Å; L18-K92 PolarHBondContact O-NZ 2.92Å; L18-Y138 HydrophobicContact CD1-CD1 3.62Å; L18-Y138 HydrophobicContact CD1-CD2 3.44Å; L18-Y138 VanDerWaalsContact CD1-CD2 3.44Å; L18-Y138 HydrophobicContact CD1-CE1 3.74Å; L18-Y138 HydrophobicContact CD1-CE2 3.58Å; L18-Y138 HydrophobicContact CD1-CG 3.46Å; L18-Y138 VanDerWaalsContact CD1-CG 3.46Å
19Y80.6Confident76.3Confident0 Ų061.2 Ų61.20%032%0.32CS..  trans-138.680.3-178.1-52.5-72.4000110.5L15 I16 F21 L22 V58 R90 K92 Y138 L140L15-Y19 HydrophobicContact CD2-CD2 4.2Å; L15-Y19 HydrophobicContact CD2-CE2 4.08Å; L15-Y19 PolarHBondContact O-N 3.38Å; I16-Y19 CarbonylContact O-C 3.56Å; I16-Y19 VanDerWaalsContact O-C 3.31Å; Y19-F21 HydrophobicContact CD1-CE1 4.02Å; Y19-F21 HydrophobicContact CD1-CZ 4.09Å; Y19-F21 HydrophobicContact CG-CE1 4.44Å; Y19-F21 HydrophobicContact CG-CZ 4.48Å; Y19-F21 PolarHBondContact O-N 3.41Å; Y19-L22 HydrophobicContact CD2-CD1 3.75Å; Y19-L22 HydrophobicContact CG-CD1 3.78Å; Y19-L22 HydrophobicContact CG-CG 4.38Å; Y19-L22 WeakPolarHBondContact O-CB 3.33Å; Y19-L22 PolarHBondContact O-N 3.29Å; Y19-V58 HydrophobicContact CE2-CG2 4.3Å; Y19-R90 HydrophobicContact CE1-CB 4.16Å; Y19-R90 HydrophobicContact CE1-CG 3.78Å; Y19-R90 PolarHBondContact OH-O 3.44Å; Y19-K92 HydrophobicContact CE1-CD 4.17Å; Y19-K92 HydrophobicContact CE1-CG 4.06Å; Y19-Y138 PolarHBondContact OH-O 2.94Å; Y19-L140 HydrophobicContact CD1-CD2 3.85Å; Y19-L140 HydrophobicContact CE1-CB 3.97Å; Y19-L140 HydrophobicContact CE1-CD2 3.98Å; Y19-L140 HydrophobicContact CE2-CB 4.15Å; Y19-L140 HydrophobicContact CG-CD2 4.21Å
20P78.2Confident78.1Confident95 Ų9558.2 Ų58.262%0.61730%0.304SS*.THydrogen-bonded Turntrans-59.8-21.7-173.8-2635.1000114.6I16 L22I16-P20 WeakPolarHBondContact O-CA 3.47Å; P20-L22 VanDerWaalsContact C-N 3.28Å; P20-L22 PolarHBondContact O-N 2.82Å
21F80.3Confident79.4Confident59 Ų5955.9 Ų55.926%0.25929%0.294SS..THydrogen-bonded Turntrans-81.3-0.6178.664.9-89.9000113.9Y19 R90 L140 L146 P147Y19-F21 HydrophobicContact CD1-CE1 4.02Å; Y19-F21 HydrophobicContact CD1-CZ 4.09Å; Y19-F21 HydrophobicContact CG-CE1 4.44Å; Y19-F21 HydrophobicContact CG-CZ 4.48Å; Y19-F21 PolarHBondContact O-N 3.41Å; F21-R90 VanDerWaalsContact CE1-NH1 3.28Å; F21-L140 HydrophobicContact CE2-CD2 3.94Å; F21-L140 HydrophobicContact CZ-CD2 3.52Å; F21-L146 HydrophobicContact CE2-CD2 3.74Å; F21-L146 HydrophobicContact CZ-CD2 4Å; F21-P147 HydrophobicContact CB-CG 4.05Å; F21-P147 HydrophobicContact CD1-CG 3.8Å; F21-P147 HydrophobicContact CD2-CG 3.93Å; F21-P147 HydrophobicContact CE1-CG 4.24Å; F21-P147 HydrophobicContact CE2-CG 4.34Å; F21-P147 HydrophobicContact CG-CG 3.64Å; F21-P147 HydrophobicContact CZ-CG 4.48Å
22L79.7Confident80.9Confident17 Ų1755.6 Ų55.69%0.08929%0.291CS..  trans-88130.3179.7-63.9-176.8000111.8Y19 P20 I27 K56 L140Y19-L22 HydrophobicContact CD2-CD1 3.75Å; Y19-L22 HydrophobicContact CG-CD1 3.78Å; Y19-L22 HydrophobicContact CG-CG 4.38Å; Y19-L22 WeakPolarHBondContact O-CB 3.33Å; Y19-L22 PolarHBondContact O-N 3.29Å; P20-L22 VanDerWaalsContact C-N 3.28Å; P20-L22 PolarHBondContact O-N 2.82Å; L22-I27 HydrophobicContact CD1-CD1 3.62Å; L22-K56 HydrophobicContact CD2-CD 3.42Å; L22-K56 VanDerWaalsContact CD2-CD 3.42Å; L22-L140 HydrophobicContact CD1-CD1 4.26Å; L22-L140 HydrophobicContact CD1-CD2 4.45Å; L22-L140 HydrophobicContact CD2-CD1 4.3Å; L22-L140 HydrophobicContact CD2-CD2 4.33Å
23S78Confident82.2Confident53 Ų5360.4 Ų60.437%0.37131%0.31SS..  trans-93.3133.9163.4179.20000109.5K25 E26S23-K25 PolarHBondContact O-N 2.97Å; S23-E26 PolarHBondContact O-N 2.71Å
24S74.8Confident83.4Confident60 Ų6057.4 Ų57.442%0.4230%0.302SS..THydrogen-bonded Turntrans-56.3-22.5179.6-47.80000113.5
25K78.6Confident84.3Confident181 Ų18159.8 Ų59.879%0.78732%0.323SS*.THydrogen-bonded Turntrans-74.8-26178.3-65.7-176.3179.4-179.90113.6S23S23-K25 PolarHBondContact O-N 2.97Å
26E81.3Confident85Confident83 Ų8360.8 Ų60.839%0.38833%0.33SS..THydrogen-bonded Turntrans-94.9-8.2-172-64.6178.2-174.300113.6S23 R55 K56S23-E26 PolarHBondContact O-N 2.71Å; E26-R55 PolarHBondContact O-N 2.68Å; E26-K56 PolarHBondContact O-N 2.78Å; E26-K56 IonicContact OE2-NZ 3.03Å; E26-K56 PolarHBondContact OE2-NZ 2.89Å
27I87.7Confident86Confident10 Ų1059.8 Ų59.85%0.05133%0.33CS..EExtended strand (participates in β ladder)trans-114.6138.1-169.5-177165.3000112.1L22 V29 K56 V58L22-I27 HydrophobicContact CD1-CD1 3.62Å; I27-V29 HydrophobicContact CD1-CG2 4.41Å; I27-V29 HydrophobicContact CG1-CG2 4.29Å; I27-K56 WeakPolarHBondContact CA-O 3.4Å; I27-K56 HydrophobicContact CB-CB 4.49Å; I27-V58 HydrophobicContact CD1-CB 3.85Å; I27-V58 HydrophobicContact CD1-CG2 3.22Å; I27-V58 HydrophobicContact CG1-CG2 4.28Å
28A90.6Very high86.9Confident5 Ų555.7 Ų55.74%0.04131%0.311CS..EExtended strand (participates in β ladder)trans-101.7125.9162.500000109.6A48 R54 K56 V57 V58A28-A48 HydrophobicContact CB-CB 3.86Å; A28-R54 VanDerWaalsContact CB-CD 3.47Å; A28-K56 PolarHBondContact N-O 2.99Å; A28-V57 HydrophobicContact CB-CG2 3.85Å; A28-V57 CarbonylContact O-C 3.59Å; A28-V57 VanDerWaalsContact O-CA 3.25Å; A28-V57 WeakPolarHBondContact O-CA 3.16Å; A28-V58 PolarHBondContact O-N 2.68Å
29V91.5Very high87.7Confident52 Ų5261.9 Ų61.932%0.31534%0.336SS..EExtended strand (participates in β ladder)trans-98.4123.7178-177.10000109.4L12 L15 I27 V60L12-V29 HydrophobicContact CD1-CG2 4.42Å; L15-V29 HydrophobicContact CD1-CB 4.26Å; L15-V29 HydrophobicContact CD1-CG1 3.77Å; L15-V29 HydrophobicContact CD1-CG2 3.44Å; L15-V29 VanDerWaalsContact CD1-CG2 3.44Å; I27-V29 HydrophobicContact CD1-CG2 4.41Å; I27-V29 HydrophobicContact CG1-CG2 4.29Å; V29-V60 HydrophobicContact CG1-CG2 4.21Å
30V93.1Very high88.5Confident6 Ų667 Ų674%0.03636%0.364CS..EExtended strand (participates in β ladder)trans-115.3101.3-179-176.70000109.4V32 L41 F44 V57 V58 F59 V60V30-V32 PolarHBondContact O-N 3.37Å; V30-L41 HydrophobicContact CG1-CB 4.35Å; V30-L41 HydrophobicContact CG1-CD1 4.32Å; V30-L41 HydrophobicContact CG1-CD2 3.82Å; V30-L41 HydrophobicContact CG1-CG 4.39Å; V30-F44 HydrophobicContact CG2-CD1 3.73Å; V30-F44 HydrophobicContact CG2-CE1 3.67Å; V30-V57 HydrophobicContact CG2-CG1 3.82Å; V30-V58 PolarHBondContact N-O 3.4Å; V30-F59 HydrophobicContact CB-CD1 3.79Å; V30-F59 HydrophobicContact CB-CE1 4.07Å; V30-F59 HydrophobicContact CB-CG 4.33Å; V30-F59 HydrophobicContact CG1-CD1 3.65Å; V30-F59 HydrophobicContact CG1-CE1 3.78Å; V30-F59 HydrophobicContact CG2-CD1 4.5Å; V30-F59 HydrophobicContact CG2-CE1 4.36Å; V30-F59 WeakPolarHBondContact O-CA 3.39Å; V30-V60 PolarHBondContact O-N 2.89Å
31K93.1Very high89.3Confident79 Ų7963.8 Ų63.834%0.34334%0.341SS..EExtended strand (participates in β ladder)trans-77.2118.1173.7-69.7179.9176.1175.10110.4K7 D8 A11K7-K31 PolarHBondContact O-NZ 2.89Å; D8-K31 WeakPolarHBondContact OD1-CE 3.42Å; D8-K31 IonicContact OD1-NZ 3.93Å; D8-K31 PolarHBondContact OD1-NZ 3Å; A11-K31 VanDerWaalsContact CB-CE 3.42Å
32V94.4Very high90.1Very high9 Ų961.2 Ų61.26%0.05533%0.33CS..EExtended strand (participates in β ladder)trans-94.6122.4-179.1-171.10000109.2V30 L41 F59 V60 A65 R68 A69V30-V32 PolarHBondContact O-N 3.37Å; V32-L41 HydrophobicContact CB-CD1 4.35Å; V32-L41 HydrophobicContact CG1-CD1 3.98Å; V32-L41 HydrophobicContact CG2-CD1 4Å; V32-F59 HydrophobicContact CG2-CB 4.26Å; V32-F59 HydrophobicContact CG2-CD1 4Å; V32-V60 WeakPolarHBondContact CB-O 3.39Å; V32-V60 PolarHBondContact N-O 3.43Å; V32-A65 HydrophobicContact CG1-CB 4.45Å; V32-A65 WeakPolarHBondContact O-CB 3.32Å; V32-R68 HydrophobicContact CG1-CB 3.86Å; V32-R68 HydrophobicContact CG1-CG 3.77Å; V32-A69 HydrophobicContact CB-CB 4.18Å; V32-A69 HydrophobicContact CG1-CB 4.46Å; V32-A69 HydrophobicContact CG2-CB 3.89Å
33K94.1Very high90.9Very high138 Ų13868 Ų6860%0.636%0.355SS*.PPolyproline II helixtrans-103.5157.1171.9-59.5180-179.8175.40109.6S35 S36K33-S35 PolarHBondContact O-N 2.89Å; K33-S36 WeakPolarHBondContact CB-OG 3.41Å; K33-S36 PolarHBondContact N-OG 3.08Å; K33-S36 VanDerWaalsContact N-OG 3.09Å; K33-S36 WeakPolarHBondContact O-CB 3.47Å; K33-S36 PolarHBondContact O-N 3.02Å; K33-S36 PolarHBondContact O-OG 3.31Å
34S92Very high91.6Very high58 Ų5870.4 Ų70.441%0.40636%0.359SS..THydrogen-bonded Turntrans-64.4-8.4174.2-43.50000113.6S64 R68S34-S64 PolarHBondContact OG-OG 2.94Å; S34-R68 PolarHBondContact O-NH1 2.79Å; S34-R68 PolarHBondContact O-NH2 2.85Å
35S93.8Very high92.6Very high104 Ų10467.6 Ų67.673%0.72734%0.339SS*.THydrogen-bonded Turntrans-105.5-8.1171.858.20000114.3K33 R68K33-S35 PolarHBondContact O-N 2.89Å; S35-R68 VanDerWaalsContact C-NH1 3.25Å
36S93.2Very high93.3Very high24 Ų2461.2 Ų61.217%0.16831%0.311CS..SBendtrans-66.4137.1-177.6-61.60000112.2K33 V38 R68K33-S36 WeakPolarHBondContact CB-OG 3.41Å; K33-S36 PolarHBondContact N-OG 3.08Å; K33-S36 VanDerWaalsContact N-OG 3.09Å; K33-S36 WeakPolarHBondContact O-CB 3.47Å; K33-S36 PolarHBondContact O-N 3.02Å; K33-S36 PolarHBondContact O-OG 3.31Å; S36-V38 PolarHBondContact O-N 2.84Å; S36-R68 VanDerWaalsContact O-CD 3.3Å; S36-R68 WeakPolarHBondContact O-CD 3.36Å; S36-R68 PolarHBondContact O-NH1 2.93Å
37S95.6Very high93.8Very high55 Ų5562.1 Ų62.139%0.38532%0.315SS..  trans-71.7117.8171.8169.50000110.5K39 N40 L41S37-K39 VanDerWaalsContact C-N 3.28Å; S37-K39 PolarHBondContact O-N 3.36Å; S37-N40 PolarHBondContact O-N 3.47Å; S37-N40 VanDerWaalsContact O-N 3.15Å; S37-N40 PolarHBondContact OG-N 2.92Å; S37-L41 WeakPolarHBondContact O-CG 3.35Å; S37-L41 PolarHBondContact O-N 3.41Å; S37-L41 VanDerWaalsContact O-N 3.08Å
38V95.6Very high94Very high49 Ų4962.3 Ų62.330%0.29732%0.318SS..Hα-helixtrans-54.4-45.8177.1175.20000110.8S36 N40 L41 V42 R68S36-V38 PolarHBondContact O-N 2.84Å; V38-N40 VanDerWaalsContact C-N 3.3Å; V38-N40 PolarHBondContact O-N 3.23Å; V38-L41 PolarHBondContact O-N 3.01Å; V38-V42 HydrophobicContact CG1-CG2 4.11Å; V38-V42 WeakPolarHBondContact O-CB 3.25Å; V38-V42 VanDerWaalsContact O-CG2 3.28Å; V38-V42 WeakPolarHBondContact O-CG2 3.38Å; V38-V42 PolarHBondContact O-N 2.89Å; V38-R68 HydrophobicContact CG2-CG 3.56Å
39K96.1Very high94Very high163 Ų16362.1 Ų62.171%0.70932%0.317SS*.Hα-helixtrans-58.9-41.4-179.9-174.2179.2-179.8-179.10112.1S37 R43S37-K39 VanDerWaalsContact C-N 3.28Å; S37-K39 PolarHBondContact O-N 3.36Å; K39-R43 WeakPolarHBondContact O-CB 3.38Å; K39-R43 PolarHBondContact O-N 2.82Å
40N96.3Very high93.8Very high107 Ų10763.6 Ų63.657%0.57233%0.326SS*.Hα-helixtrans-69.4-41.7-179.7-66.22.4000111.1S37 V38 R43 F44S37-N40 PolarHBondContact O-N 3.47Å; S37-N40 VanDerWaalsContact O-N 3.15Å; S37-N40 PolarHBondContact OG-N 2.92Å; V38-N40 VanDerWaalsContact C-N 3.3Å; V38-N40 PolarHBondContact O-N 3.23Å; N40-R43 PolarHBondContact O-N 3.08Å; N40-F44 WeakPolarHBondContact O-CB 3.48Å; N40-F44 PolarHBondContact O-N 3.37Å
41L96.7Very high93.3Very high28 Ų2864.9 Ų64.915%0.14734%0.341CS..Hα-helixtrans-66.6-41.2178-64.3-174.5000112.2V30 V32 S37 V38 F44 A45 F59V30-L41 HydrophobicContact CG1-CB 4.35Å; V30-L41 HydrophobicContact CG1-CD1 4.32Å; V30-L41 HydrophobicContact CG1-CD2 3.82Å; V30-L41 HydrophobicContact CG1-CG 4.39Å; V32-L41 HydrophobicContact CB-CD1 4.35Å; V32-L41 HydrophobicContact CG1-CD1 3.98Å; V32-L41 HydrophobicContact CG2-CD1 4Å; S37-L41 WeakPolarHBondContact O-CG 3.35Å; S37-L41 PolarHBondContact O-N 3.41Å; S37-L41 VanDerWaalsContact O-N 3.08Å; V38-L41 PolarHBondContact O-N 3.01Å; L41-F44 PolarHBondContact O-N 2.94Å; L41-A45 WeakPolarHBondContact O-CB 3.38Å; L41-A45 PolarHBondContact O-N 3.25Å; L41-F59 HydrophobicContact CB-CE1 4.35Å
42V96.4Very high92.2Very high5 Ų566.6 Ų66.63%0.0337%0.369CS..Hα-helixtrans-61.8-46174.8171.80000110.8V38 A45 K46 C72 L76 E79V38-V42 HydrophobicContact CG1-CG2 4.11Å; V38-V42 WeakPolarHBondContact O-CB 3.25Å; V38-V42 VanDerWaalsContact O-CG2 3.28Å; V38-V42 WeakPolarHBondContact O-CG2 3.38Å; V38-V42 PolarHBondContact O-N 2.89Å; V42-A45 PolarHBondContact O-N 3.43Å; V42-K46 WeakPolarHBondContact O-CB 3.43Å; V42-K46 PolarHBondContact O-N 3.1Å; V42-C72 HydrophobicContact CG2-CB 4.26Å; V42-C72 VanDerWaalsContact CG2-O 3.32Å; V42-C72 WeakPolarHBondContact CG2-O 3.37Å; V42-L76 HydrophobicContact CG1-CB 4.39Å; V42-E79 HydrophobicContact CG1-CG 4.4Å; V42-E79 WeakPolarHBondContact CG1-OE1 3.34Å
43R95.2Very high91.4Very high159 Ų15973.1 Ų73.160%0.640%0.399SS*.Hα-helixtrans-59.2-49.4176.7-179.8179.9173.3-177.5-0.3111.6K39 N40 A45 K46 E47K39-R43 WeakPolarHBondContact O-CB 3.38Å; K39-R43 PolarHBondContact O-N 2.82Å; N40-R43 PolarHBondContact O-N 3.08Å; R43-A45 PolarHBondContact O-N 3.03Å; R43-K46 PolarHBondContact O-N 3.1Å; R43-E47 WeakPolarHBondContact CG-OE1 3.35Å; R43-E47 IonicContact CZ-OE1 2.71Å; R43-E47 IonicContact NE-OE1 2.68Å; R43-E47 PolarHBondContact NE-OE1 3.23Å; R43-E47 IonicContact NH2-OE1 2.86Å; R43-E47 PolarHBondContact NH2-OE1 3.34Å; R43-E47 WeakPolarHBondContact O-CG 3.47Å; R43-E47 PolarHBondContact O-N 3.27Å
44F94.5Very high90.9Very high104 Ų10470.9 Ų70.946%0.45639%0.387SS..Hα-helixtrans-57.2-49.2176.9172.4-93.2000111.6V30 N40 L41 K46 E47 A48V30-F44 HydrophobicContact CG2-CD1 3.73Å; V30-F44 HydrophobicContact CG2-CE1 3.67Å; N40-F44 WeakPolarHBondContact O-CB 3.48Å; N40-F44 PolarHBondContact O-N 3.37Å; L41-F44 PolarHBondContact O-N 2.94Å; F44-K46 VanDerWaalsContact C-N 3.31Å; F44-K46 PolarHBondContact O-N 3.31Å; F44-E47 PolarHBondContact O-N 3.06Å; F44-A48 WeakPolarHBondContact O-CB 3.45Å; F44-A48 PolarHBondContact O-N 3.01Å
45A94.3Very high90.8Very high0 Ų073 Ų730%039%0.386CS..Hα-helixtrans-63.8-37-178.700000112.5L41 V42 R43 A48 L49 V57 F59 L76L41-A45 WeakPolarHBondContact O-CB 3.38Å; L41-A45 PolarHBondContact O-N 3.25Å; V42-A45 PolarHBondContact O-N 3.43Å; R43-A45 PolarHBondContact O-N 3.03Å; A45-A48 PolarHBondContact O-N 3.45Å; A45-L49 WeakPolarHBondContact O-CB 3.48Å; A45-L49 WeakPolarHBondContact O-CG 3.33Å; A45-L49 PolarHBondContact O-N 2.99Å; A45-V57 HydrophobicContact CB-CG1 4.02Å; A45-V57 HydrophobicContact CB-CG2 4.43Å; A45-F59 HydrophobicContact CB-CE1 4.14Å; A45-F59 HydrophobicContact CB-CE2 3.98Å; A45-F59 HydrophobicContact CB-CZ 3.32Å; A45-L76 HydrophobicContact CB-CD1 4.26Å; A45-L76 HydrophobicContact CB-CD2 3.9Å
46K93.5Very high90.7Very high47 Ų4769.1 Ų69.120%0.20436%0.356CS..Hα-helixtrans-65.2-46.1174.1178.8-179.9179.9-177.60111.8V42 R43 F44 A48 L49 T50 L76 E79V42-K46 WeakPolarHBondContact O-CB 3.43Å; V42-K46 PolarHBondContact O-N 3.1Å; R43-K46 PolarHBondContact O-N 3.1Å; F44-K46 VanDerWaalsContact C-N 3.31Å; F44-K46 PolarHBondContact O-N 3.31Å; K46-A48 VanDerWaalsContact C-N 3.3Å; K46-A48 PolarHBondContact O-N 2.82Å; K46-L49 PolarHBondContact O-N 3.03Å; K46-T50 HydrophobicContact CG-CG2 4.44Å; K46-T50 WeakPolarHBondContact O-CB 3.32Å; K46-T50 WeakPolarHBondContact O-CG2 3.49Å; K46-T50 PolarHBondContact O-N 3.24Å; K46-T50 PolarHBondContact O-OG1 3.24Å; K46-L76 HydrophobicContact CB-CD1 3.82Å; K46-E79 HydrophobicContact CD-CB 4.42Å; K46-E79 WeakPolarHBondContact CD-OE2 3.49Å; K46-E79 WeakPolarHBondContact CE-OE2 3.48Å; K46-E79 IonicContact NZ-OE2 2.76Å; K46-E79 PolarHBondContact NZ-OE2 3.42Å
47E92.7Very high90.7Very high102 Ų10268 Ų6848%0.47735%0.348SS..Hα-helixtrans-60.9-41.2175.2-72.3170.6-174.100110.5R43 F44 T50 G51R43-E47 WeakPolarHBondContact CG-OE1 3.35Å; R43-E47 IonicContact CZ-OE1 2.71Å; R43-E47 IonicContact NE-OE1 2.68Å; R43-E47 PolarHBondContact NE-OE1 3.23Å; R43-E47 IonicContact NH2-OE1 2.86Å; R43-E47 PolarHBondContact NH2-OE1 3.34Å; R43-E47 WeakPolarHBondContact O-CG 3.47Å; R43-E47 PolarHBondContact O-N 3.27Å; F44-E47 PolarHBondContact O-N 3.06Å; E47-T50 PolarHBondContact O-N 3.43Å; E47-G51 PolarHBondContact O-N 3.09Å
48A91.9Very high90.7Very high14 Ų1465.3 Ų65.312%0.11633%0.33CS..Hα-helixtrans-63.6-43.8175.900000113.3A28 F44 A45 K46 V57A28-A48 HydrophobicContact CB-CB 3.86Å; F44-A48 WeakPolarHBondContact O-CB 3.45Å; F44-A48 PolarHBondContact O-N 3.01Å; A45-A48 PolarHBondContact O-N 3.45Å; K46-A48 VanDerWaalsContact C-N 3.3Å; K46-A48 PolarHBondContact O-N 2.82Å; A48-V57 HydrophobicContact CB-CG2 4.08Å
49L90.6Very high90.6Very high1 Ų163 Ų631%0.00532%0.315CS..Hα-helixtrans-73.1-31.8178.9-74.5176.9000113.7A45 K46 R55 V57 L76 L80 T141 L143A45-L49 WeakPolarHBondContact O-CB 3.48Å; A45-L49 WeakPolarHBondContact O-CG 3.33Å; A45-L49 PolarHBondContact O-N 2.99Å; K46-L49 PolarHBondContact O-N 3.03Å; L49-R55 WeakPolarHBondContact CD2-O 3.44Å; L49-V57 HydrophobicContact CD1-CG2 4.41Å; L49-V57 HydrophobicContact CD2-CB 4.23Å; L49-V57 HydrophobicContact CD2-CG2 3.74Å; L49-V57 HydrophobicContact CG-CB 4.33Å; L49-V57 HydrophobicContact CG-CG2 3.65Å; L49-L76 HydrophobicContact CD1-CD1 4.36Å; L49-L76 HydrophobicContact CD1-CD2 3.81Å; L49-L76 HydrophobicContact CD1-CG 4.38Å; L49-L80 HydrophobicContact CD1-CD1 3.87Å; L49-T141 HydrophobicContact CD1-CG2 4.28Å; L49-L143 HydrophobicContact CB-CD1 4.22Å; L49-L143 HydrophobicContact CB-CG 4.44Å; L49-L143 HydrophobicContact CD2-CG 4.35Å; L49-L143 WeakPolarHBondContact O-CD1 3.35Å
50T85.9Confident90.5Very high84 Ų8455.6 Ų55.652%0.51528%0.284SS..Hα-helixtrans-89.6-15.7-178.855.30000113K46 E47 L80K46-T50 HydrophobicContact CG-CG2 4.44Å; K46-T50 WeakPolarHBondContact O-CB 3.32Å; K46-T50 WeakPolarHBondContact O-CG2 3.49Å; K46-T50 PolarHBondContact O-N 3.24Å; K46-T50 PolarHBondContact O-OG1 3.24Å; E47-T50 PolarHBondContact O-N 3.43Å; T50-L80 HydrophobicContact CG2-CD2 4.37Å
51G83.7Confident90.4Very high33 Ų3350.5 Ų50.534%0.3426%0.257SS..SBendtrans-65.7155.8167.800000111.8E47 E53E47-G51 PolarHBondContact O-N 3.09Å; G51-E53 PolarHBondContact O-N 2.89Å
52A70.8Confident90.1Very high114 Ų11453.7 Ų53.794%0.94227%0.273SS*.SBendtrans-71.3-11.9-179.500000113.8
53E77.5Confident89.9Confident146 Ų14654.7 Ų54.768%0.68229%0.285SS*.SBendtrans-87.9-32.5-170.7-63.2-178.2173.700114G51G51-E53 PolarHBondContact O-N 2.89Å
54R83.5Confident89.7Confident91 Ų9151.7 Ų51.734%0.34329%0.288SS..  trans-135.7131.7-169.3-61.9178.4-176.180.7-0.2110.6A28A28-R54 VanDerWaalsContact CB-CD 3.47Å
55R89.3Confident89.7Confident103 Ų10346.9 Ų46.939%0.38927%0.267SS..SBendtrans-107.3-5.2179.2-64.6-70.8-67.2174.5-3.2112.7E26 L49 S142 L143 D144E26-R55 PolarHBondContact O-N 2.68Å; L49-R55 WeakPolarHBondContact CD2-O 3.44Å; R55-S142 WeakPolarHBondContact O-CA 3.46Å; R55-L143 VanDerWaalsContact CZ-CB 3.43Å; R55-L143 VanDerWaalsContact NH1-CD1 3.33Å; R55-L143 PolarHBondContact O-N 3.14Å; R55-D144 VanDerWaalsContact CB-OD2 3.24Å; R55-D144 WeakPolarHBondContact CB-OD2 3.45Å; R55-D144 WeakPolarHBondContact CG-OD2 3.36Å; R55-D144 IonicContact CZ-OD1 3.56Å; R55-D144 IonicContact CZ-OD2 3.46Å; R55-D144 IonicContact NE-OD1 3.41Å; R55-D144 PolarHBondContact NE-OD1 3.29Å; R55-D144 IonicContact NE-OD2 3.35Å; R55-D144 PolarHBondContact NE-OD2 3.26Å; R55-D144 IonicContact NH2-OD1 2.82Å; R55-D144 PolarHBondContact NH2-OD1 3.26Å; R55-D144 IonicContact NH2-OD2 2.72Å
56K91.9Very high89.7Confident22 Ų2247.7 Ų47.710%0.09627%0.273CS..EExtended strand (participates in β ladder)trans-135.4141-172.1-58.2173.9-171.21530110L22 E26 I27 A28 L140 T141L22-K56 HydrophobicContact CD2-CD 3.42Å; L22-K56 VanDerWaalsContact CD2-CD 3.42Å; E26-K56 PolarHBondContact O-N 2.78Å; E26-K56 IonicContact OE2-NZ 3.03Å; E26-K56 PolarHBondContact OE2-NZ 2.89Å; I27-K56 WeakPolarHBondContact CA-O 3.4Å; I27-K56 HydrophobicContact CB-CB 4.49Å; A28-K56 PolarHBondContact N-O 2.99Å; K56-L140 HydrophobicContact CB-CD1 4.14Å; K56-T141 CarbonylContact C-O 3.54Å; K56-T141 WeakPolarHBondContact CA-O 3.27Å
57V93.3Very high89.8Confident0 Ų049.2 Ų49.20%029%0.289CS..EExtended strand (participates in β ladder)trans-132136.8172.1169.80000108.7A28 V30 A45 A48 L49 F59 T141A28-V57 HydrophobicContact CB-CG2 3.85Å; A28-V57 CarbonylContact O-C 3.59Å; A28-V57 VanDerWaalsContact O-CA 3.25Å; A28-V57 WeakPolarHBondContact O-CA 3.16Å; V30-V57 HydrophobicContact CG2-CG1 3.82Å; A45-V57 HydrophobicContact CB-CG1 4.02Å; A45-V57 HydrophobicContact CB-CG2 4.43Å; A48-V57 HydrophobicContact CB-CG2 4.08Å; L49-V57 HydrophobicContact CD1-CG2 4.41Å; L49-V57 HydrophobicContact CD2-CB 4.23Å; L49-V57 HydrophobicContact CD2-CG2 3.74Å; L49-V57 HydrophobicContact CG-CB 4.33Å; L49-V57 HydrophobicContact CG-CG2 3.65Å; V57-F59 HydrophobicContact CG1-CD2 3.97Å; V57-F59 HydrophobicContact CG1-CE2 3.68Å; V57-F59 HydrophobicContact CG1-CZ 4.22Å; V57-T141 PolarHBondContact N-O 2.81Å; V57-T141 PolarHBondContact O-N 3.31Å
58V94Very high89.9Confident0 Ų047.9 Ų47.90%028%0.28CS..EExtended strand (participates in β ladder)trans-114.9124168.5177.80000110.3L15 Y19 I27 A28 V30 V60 L139 L140L15-V58 HydrophobicContact CD2-CB 4.1Å; L15-V58 HydrophobicContact CD2-CG1 3.51Å; L15-V58 HydrophobicContact CD2-CG2 4.22Å; Y19-V58 HydrophobicContact CE2-CG2 4.3Å; I27-V58 HydrophobicContact CD1-CB 3.85Å; I27-V58 HydrophobicContact CD1-CG2 3.22Å; I27-V58 HydrophobicContact CG1-CG2 4.28Å; A28-V58 PolarHBondContact O-N 2.68Å; V30-V58 PolarHBondContact N-O 3.4Å; V58-V60 HydrophobicContact CG1-CG2 4Å; V58-L139 WeakPolarHBondContact CA-O 3.49Å; V58-L140 HydrophobicContact CG2-CB 3.88Å; V58-L140 HydrophobicContact CG2-CD1 3.5Å; V58-L140 HydrophobicContact CG2-CG 4.28Å
59F94.9Very high90.1Very high0 Ų047.2 Ų47.20%027%0.274CS..EExtended strand (participates in β ladder)trans-89.4129.2166.5-65.3-96.5000109.8V30 V32 L41 A45 V57 A69 C72 V73 L76 Y138 L139V30-F59 HydrophobicContact CB-CD1 3.79Å; V30-F59 HydrophobicContact CB-CE1 4.07Å; V30-F59 HydrophobicContact CB-CG 4.33Å; V30-F59 HydrophobicContact CG1-CD1 3.65Å; V30-F59 HydrophobicContact CG1-CE1 3.78Å; V30-F59 HydrophobicContact CG2-CD1 4.5Å; V30-F59 HydrophobicContact CG2-CE1 4.36Å; V30-F59 WeakPolarHBondContact O-CA 3.39Å; V32-F59 HydrophobicContact CG2-CB 4.26Å; V32-F59 HydrophobicContact CG2-CD1 4Å; L41-F59 HydrophobicContact CB-CE1 4.35Å; A45-F59 HydrophobicContact CB-CE1 4.14Å; A45-F59 HydrophobicContact CB-CE2 3.98Å; A45-F59 HydrophobicContact CB-CZ 3.32Å; V57-F59 HydrophobicContact CG1-CD2 3.97Å; V57-F59 HydrophobicContact CG1-CE2 3.68Å; V57-F59 HydrophobicContact CG1-CZ 4.22Å; F59-A69 HydrophobicContact CB-CB 4.41Å; F59-C72 HydrophobicContact CD1-CB 3.67Å; F59-C72 HydrophobicContact CE1-CB 3.43Å; F59-C72 VanDerWaalsContact CE1-CB 3.43Å; F59-C72 HydrophobicContact CG-CB 4.43Å; F59-C72 HydrophobicContact CZ-CB 4.02Å; F59-V73 HydrophobicContact CB-CG2 4.15Å; F59-V73 HydrophobicContact CD2-CG2 3.31Å; F59-V73 HydrophobicContact CE2-CG2 3.79Å; F59-V73 HydrophobicContact CG-CG2 3.86Å; F59-L76 HydrophobicContact CE2-CD2 3.75Å; F59-L76 HydrophobicContact CZ-CD2 4.08Å; F59-Y138 WeakPolarHBondContact O-CA 3.36Å; F59-L139 HydrophobicContact CB-CB 4.33Å; F59-L139 PolarHBondContact N-O 2.73Å; F59-L139 PolarHBondContact O-N 2.84Å
60V94Very high90.4Very high8 Ų850.9 Ų50.95%0.04829%0.293CS..EExtended strand (participates in β ladder)trans-114.5114177.8-174.40000108.8L15 V29 V30 V32 V58 I62 I137 Y138L15-V60 HydrophobicContact CD2-CG2 4.48Å; V29-V60 HydrophobicContact CG1-CG2 4.21Å; V30-V60 PolarHBondContact O-N 2.89Å; V32-V60 WeakPolarHBondContact CB-O 3.39Å; V32-V60 PolarHBondContact N-O 3.43Å; V58-V60 HydrophobicContact CG1-CG2 4Å; V60-I62 HydrophobicContact CG1-CG1 4.45Å; V60-I137 WeakPolarHBondContact CA-O 3.19Å; V60-Y138 HydrophobicContact CB-CD1 4.47Å; V60-Y138 HydrophobicContact CG1-CD1 4.02Å; V60-Y138 HydrophobicContact CG1-CE1 3.73Å; V60-Y138 HydrophobicContact CG2-CD1 3.86Å; V60-Y138 HydrophobicContact CG2-CE1 4.17Å
61G93.5Very high91Very high0 Ų049.7 Ų49.70%029%0.288CS..EExtended strand (participates in β ladder)trans-111137.8172.900000110.4C66 S136 I137G61-C66 PolarHBondContact O-SG 2.83Å; G61-S136 CarbonylContact O-C 3.55Å; G61-S136 WeakPolarHBondContact O-CA 3.23Å; G61-I137 PolarHBondContact N-O 3.03Å; G61-I137 PolarHBondContact O-N 3.02Å
62I91.5Very high91.6Very high94 Ų9448.1 Ų48.148%0.48227%0.272SS..EExtended strand (participates in β ladder)trans-124.6132.1177.6-57.1176.6000108.7V60 S64 A65 V134 E135V60-I62 HydrophobicContact CG1-CG1 4.45Å; I62-S64 PolarHBondContact O-N 2.8Å; I62-A65 WeakPolarHBondContact O-CB 3.23Å; I62-A65 PolarHBondContact O-N 2.81Å; I62-V134 HydrophobicContact CG2-CG1 3.41Å; I62-V134 VanDerWaalsContact CG2-CG1 3.41Å; I62-E135 CarbonylContact C-O 3.56Å
63G91.2Very high92.8Very high27 Ų2742.8 Ų42.828%0.27823%0.227SC..G310 helixtrans51.6-121.3-178.500000112.4A65 C66 E135G63-A65 PolarHBondContact O-N 2.87Å; G63-C66 WeakPolarHBondContact O-CB 3.48Å; G63-C66 PolarHBondContact O-N 3.15Å; G63-C66 PolarHBondContact O-SG 3.46Å; G63-E135 PolarHBondContact N-O 2.98Å
64S91.3Very high93.7Very high96 Ų9639.4 Ų39.467%0.67121%0.212SC*.G310 helixtrans-60.7-14179.661.90000114.8S34 I62S34-S64 PolarHBondContact OG-OG 2.94Å; I62-S64 PolarHBondContact O-N 2.8Å
65A94Very high94.3Very high3 Ų335.5 Ų35.53%0.02520%0.199CC..G310 helixtrans-84.2-8.8176.100000114V32 I62 G63 S67 R68 A69V32-A65 HydrophobicContact CG1-CB 4.45Å; V32-A65 WeakPolarHBondContact O-CB 3.32Å; I62-A65 WeakPolarHBondContact O-CB 3.23Å; I62-A65 PolarHBondContact O-N 2.81Å; G63-A65 PolarHBondContact O-N 2.87Å; A65-S67 PolarHBondContact O-N 3.09Å; A65-R68 WeakPolarHBondContact O-CB 3.3Å; A65-R68 PolarHBondContact O-N 3.13Å; A65-R68 VanDerWaalsContact O-N 3.16Å; A65-A69 PolarHBondContact O-N 2.96Å
66C94.3Very high94.6Very high16 Ų1630.6 Ų30.611%0.10818%0.181CC..Hα-helixtrans-58.1-48.9-179.3-69.80000112.6G61 G63 R68 A69 I70 I137G61-C66 PolarHBondContact O-SG 2.83Å; G63-C66 WeakPolarHBondContact O-CB 3.48Å; G63-C66 PolarHBondContact O-N 3.15Å; G63-C66 PolarHBondContact O-SG 3.46Å; C66-R68 PolarHBondContact O-N 3.23Å; C66-A69 WeakPolarHBondContact O-CB 3.28Å; C66-A69 PolarHBondContact O-N 3.15Å; C66-A69 VanDerWaalsContact O-N 3.09Å; C66-I70 WeakPolarHBondContact O-CG1 3.42Å; C66-I70 PolarHBondContact O-N 3.15Å; C66-I70 VanDerWaalsContact O-N 3.08Å; C66-I137 HydrophobicContact CB-CB 4.46Å; C66-I137 HydrophobicContact CB-CG2 3.79Å
67S95.4Very high94.7Very high79 Ų7931.3 Ų31.355%0.55218%0.184SC*.Hα-helixtrans-60.2-34.3177.661.40000112.6A65 S71A65-S67 PolarHBondContact O-N 3.09Å; S67-S71 PolarHBondContact O-N 3.27Å; S67-S71 PolarHBondContact O-OG 3.48Å
68R96.1Very high94.7Very high75 Ų7539.4 Ų39.428%0.28322%0.215SC..Hα-helixtrans-72.9-36.8176.5-168.5169.7-67.7176.513112V32 S34 S35 S36 V38 A65 C66 I70 S71 C72V32-R68 HydrophobicContact CG1-CB 3.86Å; V32-R68 HydrophobicContact CG1-CG 3.77Å; S34-R68 PolarHBondContact O-NH1 2.79Å; S34-R68 PolarHBondContact O-NH2 2.85Å; S35-R68 VanDerWaalsContact C-NH1 3.25Å; S36-R68 VanDerWaalsContact O-CD 3.3Å; S36-R68 WeakPolarHBondContact O-CD 3.36Å; S36-R68 PolarHBondContact O-NH1 2.93Å; V38-R68 HydrophobicContact CG2-CG 3.56Å; A65-R68 WeakPolarHBondContact O-CB 3.3Å; A65-R68 PolarHBondContact O-N 3.13Å; A65-R68 VanDerWaalsContact O-N 3.16Å; C66-R68 PolarHBondContact O-N 3.23Å; R68-I70 VanDerWaalsContact C-N 3.33Å; R68-S71 WeakPolarHBondContact O-CB 3.45Å; R68-S71 PolarHBondContact O-N 2.75Å; R68-C72 PolarHBondContact O-N 3.34Å; R68-C72 PolarHBondContact O-SG 3.22Å
69A96.2Very high94.7Very high0 Ų042.2 Ų42.20%023%0.228CC..Hα-helixtrans-61.3-44.3174.200000111.1V32 F59 A65 C66 S71 C72 V73 I137 L139V32-A69 HydrophobicContact CB-CB 4.18Å; V32-A69 HydrophobicContact CG1-CB 4.46Å; V32-A69 HydrophobicContact CG2-CB 3.89Å; F59-A69 HydrophobicContact CB-CB 4.41Å; A65-A69 PolarHBondContact O-N 2.96Å; C66-A69 WeakPolarHBondContact O-CB 3.28Å; C66-A69 PolarHBondContact O-N 3.15Å; C66-A69 VanDerWaalsContact O-N 3.09Å; A69-S71 VanDerWaalsContact C-N 3.34Å; A69-S71 PolarHBondContact O-N 3.33Å; A69-C72 WeakPolarHBondContact O-CB 3.32Å; A69-C72 PolarHBondContact O-N 3.33Å; A69-V73 PolarHBondContact O-N 3.25Å; A69-V73 VanDerWaalsContact O-N 3.13Å; A69-I137 HydrophobicContact CB-CG2 3.97Å; A69-L139 VanDerWaalsContact C-CD1 3.47Å; A69-L139 HydrophobicContact CB-CD1 4Å
70I96.7Very high94.4Very high78 Ų7842.3 Ų42.340%0.423%0.228SC..Hα-helixtrans-58-47.4172.9-61.6168.1000110.6C66 R68 C72 V73 E74 I137 L139C66-I70 WeakPolarHBondContact O-CG1 3.42Å; C66-I70 PolarHBondContact O-N 3.15Å; C66-I70 VanDerWaalsContact O-N 3.08Å; R68-I70 VanDerWaalsContact C-N 3.33Å; I70-C72 VanDerWaalsContact C-N 3.26Å; I70-C72 PolarHBondContact O-N 3.33Å; I70-V73 PolarHBondContact O-N 3.08Å; I70-V73 VanDerWaalsContact O-N 3.15Å; I70-E74 HydrophobicContact CG2-CG 4.39Å; I70-E74 PolarHBondContact O-N 2.86Å; I70-I137 HydrophobicContact CD1-CD1 3.92Å; I70-I137 HydrophobicContact CG1-CD1 3.76Å; I70-L139 HydrophobicContact CG1-CD1 4.14Å
71S97.4Very high94.1Very high59 Ų5944.4 Ų44.441%0.41324%0.243SC..Hα-helixtrans-59.6-35.8178.8-59.60000112.9S67 R68 A69 G75S67-S71 PolarHBondContact O-N 3.27Å; S67-S71 PolarHBondContact O-OG 3.48Å; R68-S71 WeakPolarHBondContact O-CB 3.45Å; R68-S71 PolarHBondContact O-N 2.75Å; A69-S71 VanDerWaalsContact C-N 3.34Å; A69-S71 PolarHBondContact O-N 3.33Å; S71-G75 PolarHBondContact O-N 3.06Å
72C97.1Very high93.7Very high0 Ų051.6 Ų51.60%028%0.279CS..Hα-helixtrans-66.7-45.7175.6-63.40000111.3V42 F59 R68 A69 I70 G75 L76V42-C72 HydrophobicContact CG2-CB 4.26Å; V42-C72 VanDerWaalsContact CG2-O 3.32Å; V42-C72 WeakPolarHBondContact CG2-O 3.37Å; F59-C72 HydrophobicContact CD1-CB 3.67Å; F59-C72 HydrophobicContact CE1-CB 3.43Å; F59-C72 VanDerWaalsContact CE1-CB 3.43Å; F59-C72 HydrophobicContact CG-CB 4.43Å; F59-C72 HydrophobicContact CZ-CB 4.02Å; R68-C72 PolarHBondContact O-N 3.34Å; R68-C72 PolarHBondContact O-SG 3.22Å; A69-C72 WeakPolarHBondContact O-CB 3.32Å; A69-C72 PolarHBondContact O-N 3.33Å; I70-C72 VanDerWaalsContact C-N 3.26Å; I70-C72 PolarHBondContact O-N 3.33Å; C72-G75 PolarHBondContact O-N 3.23Å; C72-L76 WeakPolarHBondContact O-CB 3.33Å; C72-L76 PolarHBondContact O-N 2.85Å
73V96.7Very high93.5Very high1 Ų153 Ų531%0.00628%0.282CS..Hα-helixtrans-65-43.1179.8173.70000111.6F59 A69 I70 G75 L76 K77 L139F59-V73 HydrophobicContact CB-CG2 4.15Å; F59-V73 HydrophobicContact CD2-CG2 3.31Å; F59-V73 HydrophobicContact CE2-CG2 3.79Å; F59-V73 HydrophobicContact CG-CG2 3.86Å; A69-V73 PolarHBondContact O-N 3.25Å; A69-V73 VanDerWaalsContact O-N 3.13Å; I70-V73 PolarHBondContact O-N 3.08Å; I70-V73 VanDerWaalsContact O-N 3.15Å; V73-G75 VanDerWaalsContact C-N 3.33Å; V73-G75 PolarHBondContact O-N 3Å; V73-L76 PolarHBondContact O-N 2.87Å; V73-K77 HydrophobicContact CG1-CD 3.85Å; V73-K77 HydrophobicContact CG1-CG 4.44Å; V73-K77 WeakPolarHBondContact O-CB 3.45Å; V73-K77 VanDerWaalsContact O-CG 3.32Å; V73-K77 WeakPolarHBondContact O-CG 3.17Å; V73-K77 PolarHBondContact O-N 2.77Å; V73-L139 HydrophobicContact CB-CD1 4.28Å; V73-L139 HydrophobicContact CG2-CB 3.65Å; V73-L139 HydrophobicContact CG2-CD1 3.67Å; V73-L139 HydrophobicContact CG2-CG 4.24Å
74E96.5Very high93.3Very high76 Ų7658.8 Ų58.836%0.35531%0.306SS..Hα-helixtrans-68.9-30.6176-67.9-54.7138.700112.8I70 K77 R78I70-E74 HydrophobicContact CG2-CG 4.39Å; I70-E74 PolarHBondContact O-N 2.86Å; E74-K77 IonicContact OE1-NZ 3.53Å; E74-K77 PolarHBondContact OE1-NZ 2.97Å; E74-K77 IonicContact OE2-NZ 3.85Å; E74-R78 WeakPolarHBondContact O-CG 3.35Å; E74-R78 PolarHBondContact O-N 2.78Å; E74-R78 PolarHBondContact O-NE 3.46Å
75G95.9Very high93.1Very high8 Ų856.6 Ų56.68%0.08229%0.289CS..Hα-helixtrans-63.5-49.2168.200000112.1S71 C72 V73 R78 E79S71-G75 PolarHBondContact O-N 3.06Å; C72-G75 PolarHBondContact O-N 3.23Å; V73-G75 VanDerWaalsContact C-N 3.33Å; V73-G75 PolarHBondContact O-N 3Å; G75-R78 PolarHBondContact O-N 3.46Å; G75-E79 PolarHBondContact O-N 3.39Å; G75-E79 VanDerWaalsContact O-N 3.08Å
76L95.2Very high92.8Very high0 Ų060.4 Ų60.40%031%0.311CS..Hα-helixtrans-61.4-44.7179.3179.763.1000112.1V42 A45 K46 L49 F59 C72 V73 R78 E79 L80 T141V42-L76 HydrophobicContact CG1-CB 4.39Å; A45-L76 HydrophobicContact CB-CD1 4.26Å; A45-L76 HydrophobicContact CB-CD2 3.9Å; K46-L76 HydrophobicContact CB-CD1 3.82Å; L49-L76 HydrophobicContact CD1-CD1 4.36Å; L49-L76 HydrophobicContact CD1-CD2 3.81Å; L49-L76 HydrophobicContact CD1-CG 4.38Å; F59-L76 HydrophobicContact CE2-CD2 3.75Å; F59-L76 HydrophobicContact CZ-CD2 4.08Å; C72-L76 WeakPolarHBondContact O-CB 3.33Å; C72-L76 PolarHBondContact O-N 2.85Å; V73-L76 PolarHBondContact O-N 2.87Å; L76-R78 PolarHBondContact O-N 3.18Å; L76-E79 PolarHBondContact O-N 2.95Å; L76-L80 HydrophobicContact CD1-CD1 3.91Å; L76-L80 HydrophobicContact CD1-CG 4.26Å; L76-L80 HydrophobicContact CG-CD1 4.02Å; L76-L80 WeakPolarHBondContact O-CG 3.4Å; L76-L80 PolarHBondContact O-N 2.66Å; L76-T141 HydrophobicContact CD2-CG2 4.15Å
77K94.2Very high92.7Very high38 Ų3860.6 Ų60.617%0.16531%0.311CS..Hα-helixtrans-58.2-47.8176.4-75.5165.264.6-176.50111.5V73 E74 E79 L80 S81 I87V73-K77 HydrophobicContact CG1-CD 3.85Å; V73-K77 HydrophobicContact CG1-CG 4.44Å; V73-K77 WeakPolarHBondContact O-CB 3.45Å; V73-K77 VanDerWaalsContact O-CG 3.32Å; V73-K77 WeakPolarHBondContact O-CG 3.17Å; V73-K77 PolarHBondContact O-N 2.77Å; E74-K77 IonicContact OE1-NZ 3.53Å; E74-K77 PolarHBondContact OE1-NZ 2.97Å; E74-K77 IonicContact OE2-NZ 3.85Å; K77-E79 VanDerWaalsContact C-N 3.34Å; K77-E79 PolarHBondContact O-N 2.86Å; K77-L80 PolarHBondContact O-N 3.39Å; K77-S81 WeakPolarHBondContact O-CB 3.15Å; K77-S81 PolarHBondContact O-N 2.95Å; K77-S81 PolarHBondContact O-OG 3.46Å; K77-I87 HydrophobicContact CB-CD1 4.22Å; K77-I87 HydrophobicContact CG-CD1 4.02Å; K77-I87 HydrophobicContact CG-CG2 4.43Å
78R93.9Very high92.5Very high169 Ų16959.3 Ų59.364%0.63830%0.296SS*.Hα-helixtrans-58.6-44.1176.1-74.7179.7-68.9165.6-2.4112.2E74 G75 L76 L80 M82E74-R78 WeakPolarHBondContact O-CG 3.35Å; E74-R78 PolarHBondContact O-N 2.78Å; E74-R78 PolarHBondContact O-NE 3.46Å; G75-R78 PolarHBondContact O-N 3.46Å; L76-R78 PolarHBondContact O-N 3.18Å; R78-L80 VanDerWaalsContact C-N 3.33Å; R78-L80 PolarHBondContact O-N 3.45Å; R78-M82 WeakPolarHBondContact O-CG 3.49Å; R78-M82 PolarHBondContact O-N 2.81Å
79E92Very high92.3Very high59 Ų5957.1 Ų57.128%0.27629%0.289SS..Hα-helixtrans-64.9-33.9179.2-74-161.2-156.200114.2V42 K46 G75 L76 K77 M82V42-E79 HydrophobicContact CG1-CG 4.4Å; V42-E79 WeakPolarHBondContact CG1-OE1 3.34Å; K46-E79 HydrophobicContact CD-CB 4.42Å; K46-E79 WeakPolarHBondContact CD-OE2 3.49Å; K46-E79 WeakPolarHBondContact CE-OE2 3.48Å; K46-E79 IonicContact NZ-OE2 2.76Å; K46-E79 PolarHBondContact NZ-OE2 3.42Å; G75-E79 PolarHBondContact O-N 3.39Å; G75-E79 VanDerWaalsContact O-N 3.08Å; L76-E79 PolarHBondContact O-N 2.95Å; K77-E79 VanDerWaalsContact C-N 3.34Å; K77-E79 PolarHBondContact O-N 2.86Å; E79-M82 HydrophobicContact CG-CE 4.37Å
80L90Very high92.1Very high2 Ų257.9 Ų57.91%0.0129%0.292CS..Hα-helixtrans-85.9-36-179.2-73.1177.3000112.3L49 T50 L76 K77 R78 M82 K83 V85 I87 L143L49-L80 HydrophobicContact CD1-CD1 3.87Å; T50-L80 HydrophobicContact CG2-CD2 4.37Å; L76-L80 HydrophobicContact CD1-CD1 3.91Å; L76-L80 HydrophobicContact CD1-CG 4.26Å; L76-L80 HydrophobicContact CG-CD1 4.02Å; L76-L80 WeakPolarHBondContact O-CG 3.4Å; L76-L80 PolarHBondContact O-N 2.66Å; K77-L80 PolarHBondContact O-N 3.39Å; R78-L80 VanDerWaalsContact C-N 3.33Å; R78-L80 PolarHBondContact O-N 3.45Å; L80-M82 VanDerWaalsContact C-N 3.27Å; L80-M82 PolarHBondContact O-N 2.97Å; L80-K83 WeakPolarHBondContact O-CA 3.36Å; L80-K83 WeakPolarHBondContact O-CB 3.41Å; L80-K83 PolarHBondContact O-N 3.2Å; L80-V85 HydrophobicContact CB-CB 4.37Å; L80-V85 PolarHBondContact O-N 3.28Å; L80-I87 HydrophobicContact CB-CD1 3.36Å; L80-I87 HydrophobicContact CB-CG1 4.08Å; L80-I87 HydrophobicContact CD1-CD1 3.72Å; L80-I87 HydrophobicContact CD1-CG1 4.02Å; L80-I87 HydrophobicContact CG-CD1 4.17Å; L80-L143 HydrophobicContact CD1-CD2 4.39Å
81S86.3Confident91.9Very high52 Ų5255.4 Ų55.436%0.36428%0.281SS..Hα-helixtrans-63.5-32174.2-62.50000112.4K77 K83 N84K77-S81 WeakPolarHBondContact O-CB 3.15Å; K77-S81 PolarHBondContact O-N 2.95Å; K77-S81 PolarHBondContact O-OG 3.46Å; S81-K83 PolarHBondContact O-N 2.85Å; S81-K83 VanDerWaalsContact O-N 3.1Å; S81-N84 PolarHBondContact O-N 2.75Å; S81-N84 VanDerWaalsContact O-N 3.1Å
82M86Confident91.5Very high151 Ų15153.2 Ų53.274%0.74426%0.264SS*.THydrogen-bonded Turntrans-60.9-16.4170.9-73.8-171.3-65.900113.6R78 E79 L80R78-M82 WeakPolarHBondContact O-CG 3.49Å; R78-M82 PolarHBondContact O-N 2.81Å; E79-M82 HydrophobicContact CG-CE 4.37Å; L80-M82 VanDerWaalsContact C-N 3.27Å; L80-M82 PolarHBondContact O-N 2.97Å
83K86.7Confident91.2Very high125 Ų12557.9 Ų57.954%0.54329%0.287SS..THydrogen-bonded Turntrans-105.613178.1-61.9-174.5175.8-169.10113.3L80 S81 V85L80-K83 WeakPolarHBondContact O-CA 3.36Å; L80-K83 WeakPolarHBondContact O-CB 3.41Å; L80-K83 PolarHBondContact O-N 3.2Å; S81-K83 PolarHBondContact O-N 2.85Å; S81-K83 VanDerWaalsContact O-N 3.1Å; K83-V85 HydrophobicContact CB-CG2 3.99Å; K83-V85 PolarHBondContact O-N 2.91Å
84N87Confident90.7Very high148 Ų14859.4 Ų59.479%0.79130%0.299SS*.THydrogen-bonded Turntrans5632.1-174-58.7-41.5000113.8S81S81-N84 PolarHBondContact O-N 2.75Å; S81-N84 VanDerWaalsContact O-N 3.1Å
85V87.1Confident90.2Very high50 Ų5061.4 Ų61.430%0.30331%0.306SS..  trans-91.9122.9176.7178.90000109.1L80 K83 L143L80-V85 HydrophobicContact CB-CB 4.37Å; L80-V85 PolarHBondContact O-N 3.28Å; K83-V85 HydrophobicContact CB-CG2 3.99Å; K83-V85 PolarHBondContact O-N 2.91Å; V85-L143 HydrophobicContact CG1-CD2 3.5Å; V85-L143 VanDerWaalsContact CG1-CD2 3.5Å
86T88.3Confident89.1Confident82 Ų8264.2 Ų64.250%0.50332%0.319SS..  trans-72.5135.9171.1-56.40000109.7
87I91.3Very high87.6Confident21 Ų2169.4 Ų69.411%0.10835%0.347CS..  trans-128128.9-177.6-56.5162.5000107.9K77 L80 T141K77-I87 HydrophobicContact CB-CD1 4.22Å; K77-I87 HydrophobicContact CG-CD1 4.02Å; K77-I87 HydrophobicContact CG-CG2 4.43Å; L80-I87 HydrophobicContact CB-CD1 3.36Å; L80-I87 HydrophobicContact CB-CG1 4.08Å; L80-I87 HydrophobicContact CD1-CD1 3.72Å; L80-I87 HydrophobicContact CD1-CG1 4.02Å; L80-I87 HydrophobicContact CG-CD1 4.17Å; I87-T141 HydrophobicContact CG2-CG2 3.24Å
88H92.2Very high85.6Confident51 Ų5171 Ų7124%0.23636%0.363CS..EExtended strand (participates in β ladder)trans-97.6134.4171.7-61.2-88.3000109T141 S142 D144 L146H88-T141 CarbonylContact O-C 3.55Å; H88-T141 WeakPolarHBondContact O-CA 3.32Å; H88-S142 PolarHBondContact N-O 3.25Å; H88-S142 PolarHBondContact O-N 3.06Å; H88-D144 PolarHBondContact CD2-O 3.02Å; H88-L146 HydrophobicContact CB-CD1 4.08Å; H88-L146 HydrophobicContact CB-CG 3.86Å
89Q92.6Very high83.4Confident30 Ų3067.2 Ų67.214%0.1436%0.359CS..EExtended strand (participates in β ladder)trans-124.9139.3180-175.9-173.9-29.600110T91 L140Q89-T91 PolarHBondContact NE2-OG1 2.94Å; Q89-L140 CarbonylContact C-O 3.56Å; Q89-L140 VanDerWaalsContact CA-O 3.23Å; Q89-L140 WeakPolarHBondContact CA-O 3.44Å
90R90.5Very high80.7Confident16 Ų1668.2 Ų68.26%0.0637%0.372CS..EExtended strand (participates in β ladder)trans-131.6131.6165.2-176.8173.9-77.2164.83.5109.8Y19 F21 L140 L146 P147 E149Y19-R90 HydrophobicContact CE1-CB 4.16Å; Y19-R90 HydrophobicContact CE1-CG 3.78Å; Y19-R90 PolarHBondContact OH-O 3.44Å; F21-R90 VanDerWaalsContact CE1-NH1 3.28Å; R90-L140 HydrophobicContact CB-CB 4.33Å; R90-L140 HydrophobicContact CB-CD2 4.46Å; R90-L140 PolarHBondContact N-O 3.25Å; R90-L140 PolarHBondContact O-N 3.25Å; R90-L146 HydrophobicContact CB-CD1 3.78Å; R90-P147 PolarHBondContact NH1-O 2.92Å; R90-P147 PolarHBondContact NH2-O 3.26Å; R90-E149 IonicContact CZ-OE1 3.46Å; R90-E149 IonicContact NH1-OE1 2.78Å; R90-E149 PolarHBondContact NH1-OE1 3.27Å; R90-E149 IonicContact NH1-OE2 3.81Å
91T92.3Very high77.9Confident25 Ų2571.4 Ų71.415%0.15341%0.405CS..EExtended strand (participates in β ladder)trans-109.5135.5179.1-570000108.9Q89 I93 I137 Y138 L139 S155Q89-T91 PolarHBondContact NE2-OG1 2.94Å; T91-I93 HydrophobicContact CG2-CG1 4.45Å; T91-I137 HydrophobicContact CG2-CD1 4.09Å; T91-I137 HydrophobicContact CG2-CG1 4.06Å; T91-Y138 CarbonylContact C-O 3.58Å; T91-Y138 WeakPolarHBondContact CA-O 3.37Å; T91-L139 HydrophobicContact CG2-CD2 3.58Å; T91-L139 VanDerWaalsContact OG1-CD2 3.31Å; T91-L139 WeakPolarHBondContact OG1-CD2 3.47Å; T91-S155 VanDerWaalsContact O-CB 3.28Å; T91-S155 WeakPolarHBondContact O-CB 3.36Å; T91-S155 PolarHBondContact O-OG 2.89Å
92K90.2Very high75.6Confident14 Ų1473.2 Ų73.26%0.06142%0.418CS..EExtended strand (participates in β ladder)trans-127.8144.1166.1-67.7-159.4174.3-168.30109.7L18 Y19 Y138 E149 D153L18-K92 HydrophobicContact CB-CD 4.06Å; L18-K92 HydrophobicContact CD2-CB 4.16Å; L18-K92 HydrophobicContact CD2-CD 3.72Å; L18-K92 HydrophobicContact CG-CD 4.46Å; L18-K92 WeakPolarHBondContact O-CD 3.45Å; L18-K92 WeakPolarHBondContact O-CE 3.1Å; L18-K92 PolarHBondContact O-NZ 2.92Å; Y19-K92 HydrophobicContact CE1-CD 4.17Å; Y19-K92 HydrophobicContact CE1-CG 4.06Å; K92-Y138 PolarHBondContact N-O 3.09Å; K92-Y138 PolarHBondContact O-N 3.47Å; K92-E149 WeakPolarHBondContact CE-OE2 3.45Å; K92-E149 IonicContact NZ-OE1 2.78Å; K92-E149 IonicContact NZ-OE2 3.91Å; K92-E149 PolarHBondContact NZ-OE2 3.22Å; K92-D153 IonicContact NZ-OD2 3.89Å; K92-D153 PolarHBondContact NZ-OD2 3.16Å
93I89.6Confident73Confident97 Ų9772 Ų7250%0.49742%0.424SS..EExtended strand (participates in β ladder)trans-121.6133178.6-58.2171.4000106.7T91 F95 S136 I137T91-I93 HydrophobicContact CG2-CG1 4.45Å; I93-F95 HydrophobicContact CG2-CE2 3.92Å; I93-F95 HydrophobicContact CG2-CZ 4.32Å; I93-S136 CarbonylContact C-O 3.52Å; I93-S136 WeakPolarHBondContact CA-O 3.41Å; I93-I137 HydrophobicContact CG1-CG1 4.25Å
94S86.9Confident70.7Confident34 Ų3475.4 Ų75.424%0.23844%0.439CS..EExtended strand (participates in β ladder)trans-129.4150.1172.374.70000109.9S136 Y138S94-S136 PolarHBondContact N-O 2.75Å; S94-S136 PolarHBondContact O-N 3.08Å; S94-Y138 WeakPolarHBondContact OG-CE2 3.44Å
95F85.5Confident68.1Low117 Ų11777.1 Ų77.151%0.51344%0.442SS..EExtended strand (participates in β ladder)trans-112121.7170-62.9-99.7000106.2I93 D133 E135I93-F95 HydrophobicContact CG2-CE2 3.92Å; I93-F95 HydrophobicContact CG2-CZ 4.32Å; F95-D133 HydrophobicContact CB-CB 4.48Å; F95-D133 HydrophobicContact CD1-CB 4.41Å; F95-E135 HydrophobicContact CD1-CG 3.59Å; F95-E135 HydrophobicContact CE1-CB 4.42Å; F95-E135 HydrophobicContact CE1-CG 3.18Å; F95-E135 HydrophobicContact CZ-CG 3.98Å
96D72.3Confident66Low67 Ų6782.1 Ų82.136%0.35847%0.467SS..EExtended strand (participates in β ladder)trans-101.8121.5174.8-171.46.2000108.9S98 V134D96-S98 PolarHBondContact O-N 2.96Å; D96-S98 VanDerWaalsContact OD1-CB 3.27Å; D96-S98 WeakPolarHBondContact OD1-CB 3.33Å; D96-S98 PolarHBondContact OD1-N 3.19Å; D96-S98 PolarHBondContact OD1-OG 3.04Å; D96-S98 WeakPolarHBondContact OD2-CB 3.48Å; D96-S98 PolarHBondContact OD2-OG 2.82Å; D96-V134 PolarHBondContact N-O 2.82Å; D96-V134 PolarHBondContact O-N 2.88Å
97N63.6Low63.4Low110 Ų11087.2 Ų87.259%0.58848%0.482SS*.  trans-88.430.1178.3-65.228.8000110.4V99 D133N97-V99 PolarHBondContact O-N 2.73Å; N97-D133 PolarHBondContact ND2-OD1 3.44Å; N97-D133 VanDerWaalsContact OD1-CG 3.3Å; N97-D133 PolarHBondContact OD1-OD1 2.78Å; N97-D133 VanDerWaalsContact OD1-OD1 3.04Å
98S53.6Low61Low71 Ų7191.1 Ų91.150%0.49751%0.512SS..  trans-7593.5-170.5550000113.3D96D96-S98 PolarHBondContact O-N 2.96Å; D96-S98 VanDerWaalsContact OD1-CB 3.27Å; D96-S98 WeakPolarHBondContact OD1-CB 3.33Å; D96-S98 PolarHBondContact OD1-N 3.19Å; D96-S98 PolarHBondContact OD1-OG 3.04Å; D96-S98 WeakPolarHBondContact OD2-CB 3.48Å; D96-S98 PolarHBondContact OD2-OG 2.82Å
99V46.6Very low58.5Low90 Ų9095.1 Ų95.155%0.54553%0.534SS..  trans72.790.2134.5-172.40000116.8N97N97-V99 PolarHBondContact O-N 2.73Å
100S35Very low56.1Low80 Ų80105.5 Ų105.556%0.55957%0.572SS**SBend-7797.8127.364.80000108.5
101G32.9Very low53.7Low68 Ų68110.2 Ų110.270%0.70161%0.607SS**SBendtrans14937.2178.200000117.5
102S37.8Very low51.3Low90 Ų90113 Ų11363%0.62963%0.628SS**SBendtrans-167.293152.146.70000110.6K104S102-K104 PolarHBondContact O-N 2.95Å
103S30.8Very low49.1Very low127 Ų127121.4 Ų121.489%0.88866%0.664SS**  39.675.5129.7-43.60000117.4
104K38.4Very low47Very low196 Ų196121.7 Ų121.785%0.85268%0.681SS**  trans-144.7110.8141.3-122.2169.6-175.5164.40109.2S102 D106S102-K104 PolarHBondContact O-N 2.95Å; K104-D106 PolarHBondContact O-N 3.24Å
105E33.5Very low44.9Very low184 Ų184130.9 Ų130.986%0.8671%0.711SS**  trans-56.997.1175.7-63.8171133.800109.8
106D42.4Very low43.2Very low155 Ų155128.6 Ų128.683%0.82972%0.72SS**  trans-128.2106.7157.7-91.7-37.7000109.1K104 S108K104-D106 PolarHBondContact O-N 3.24Å; D106-S108 PolarHBondContact O-N 3.28Å
107K34.5Very low41.8Very low188 Ų188131 Ų13182%0.81774%0.74SS**  trans-63.793.1-175.4-65.5163178.8168.20110.4I109K107-I109 PolarHBondContact O-N 2.87Å
108S39.4Very low41.1Very low104 Ų104133.3 Ų133.373%0.72775%0.75SS**  trans-91.394.6164.7158.10000109.7D106 W110D106-S108 PolarHBondContact O-N 3.28Å; S108-W110 PolarHBondContact O-N 3.02Å; S108-W110 VanDerWaalsContact O-N 3.15Å
109I40.4Very low40.9Very low135 Ų135135.6 Ų135.669%0.69277%0.766SS**  trans-72.988.5178.5-62.2156.1000109K107K107-I109 PolarHBondContact O-N 2.87Å
110W41.4Very low41.3Very low247 Ų247140.9 Ų140.994%0.93678%0.782SS**  trans-124.910.6172.7-97.562.2000114.3S108 S112S108-W110 PolarHBondContact O-N 3.02Å; S108-W110 VanDerWaalsContact O-N 3.15Å; W110-S112 PolarHBondContact O-N 2.96Å
111S41.3Very low41.8Very low115 Ų115142.8 Ų142.880%0.80479%0.792SS**  trans-95.827179.562.70000114.7
112S40.8Very low42.1Very low84 Ų84149.5 Ų149.559%0.58780%0.802SS**  trans-137.562.2-171.3-55.10000114.6W110W110-S112 PolarHBondContact O-N 2.96Å
113F44Very low42.5Very low190 Ų190149.9 Ų149.983%0.83381%0.811SS**  trans-135.712159.4-95.2-76.8000115.6R115F113-R115 PolarHBondContact O-N 3.18Å
114A45.2Very low43.2Very low103 Ų103148.5 Ų148.585%0.85181%0.807SS**  trans-86.194.2166.400000110G116A114-G116 PolarHBondContact O-N 3.09Å
115R43.6Very low43.4Very low228 Ų228146.6 Ų146.686%0.8681%0.805SS**  trans-66.5117162.9-79.6-178.6-80.7-127-2107.9F113F113-R115 PolarHBondContact O-N 3.18Å
116G48.9Very low44Very low69 Ų69142.3 Ų142.371%0.71180%0.796SS**  trans-74.7-148.3-175.500000114.4A114A114-G116 PolarHBondContact O-N 3.09Å
117P44Very low44.5Very low118 Ų118143.2 Ų143.277%0.76680%0.795SS**  cis-129.2167.8-14.937.8-21.7000112.4
118I49.7Very low45Very low157 Ų157139.9 Ų139.981%0.80579%0.791SS**  trans164.5131.1139.6-82151.4000109.6
119S49.6Very low45.6Very low120 Ų120138 Ų13884%0.83978%0.781SS**  trans86.1118.4166.774.70000119.5
120K54.2Low46.3Very low201 Ų201135 Ų13587%0.87477%0.772SS**  trans-86.3176.1169-65.5177.2178.21760109.3
121P44.5Very low47.2Very low119 Ų119127 Ų12777%0.77375%0.754SS**  cis-133.4-170.5-40.132.9-13.1000111.8
122K40.3Very low48Very low209 Ų209129.3 Ų129.391%0.90975%0.75SS**  trans96.375.3151.1-146.2179-168.3-179.90117.6
123A44.9Very low49.4Very low98 Ų98129.3 Ų129.381%0.8174%0.743SS**  trans-150.9136.114800000109.2L125A123-L125 PolarHBondContact O-N 3.12Å
124A46.1Very low51Low98 Ų98123.1 Ų123.181%0.8172%0.721SS**  trans-54.8127.3-17500000111.7S126A124-S126 PolarHBondContact O-N 3.3Å
125L42.5Very low53.1Low156 Ų156123.2 Ų123.282%0.81770%0.704SS**  trans-74.478.2175.6-153.687.7000108.4A123 Q127A123-L125 PolarHBondContact O-N 3.12Å; L125-Q127 PolarHBondContact O-N 2.82Å
126S46.8Very low55.3Low95 Ų95112.7 Ų112.766%0.66467%0.665SS**  trans-68.1100.216354.30000106.7A124 T128A124-S126 PolarHBondContact O-N 3.3Å; S126-T128 PolarHBondContact O-N 2.67Å
127Q51.7Low57.4Low174 Ų174110.1 Ų110.181%0.81364%0.635SS**  trans-60.391163.9-71.3176.915.900107.2L125 A129L125-Q127 PolarHBondContact O-N 2.82Å; Q127-A129 PolarHBondContact O-N 3.36Å
128T46.7Very low59.7Low118 Ų118105 Ų10572%0.72460%0.601SS**  trans-67.190.1162.451.30000105.5S126 S130S126-T128 PolarHBondContact O-N 2.67Å; T128-S130 PolarHBondContact O-N 3.19Å
129A52Low61.8Low63 Ų6397.8 Ų97.852%0.52156%0.563SS.*  trans-62.690.516500000106.4Q127 S131Q127-A129 PolarHBondContact O-N 3.36Å; A129-S131 VanDerWaalsContact C-N 3.31Å; A129-S131 PolarHBondContact O-N 3.48Å
130S54.7Low63.9Low72 Ų7292 Ų9250%0.50352%0.523SS..  trans-67.597.1169.452.70000106.4T128 F132T128-S130 PolarHBondContact O-N 3.19Å; S130-F132 WeakPolarHBondContact O-CD2 3.5Å; S130-F132 PolarHBondContact O-N 3.26Å; S130-F132 VanDerWaalsContact O-N 3.12Å; S130-F132 WeakPolarHBondContact OG-CE2 3.31Å; S130-F132 WeakPolarHBondContact OG-CZ 3.36Å
131S59.1Low65.7Low81 Ų8182.5 Ų82.557%0.56648%0.482SS*.  trans-62.7108.7164.3550000106.8A129A129-S131 VanDerWaalsContact C-N 3.31Å; A129-S131 PolarHBondContact O-N 3.48Å
132F58.7Low68Low163 Ų16376.8 Ų76.872%0.71545%0.445SS*.  trans-94.2122.7169.3-65.5-73.3000107.4S130 V134S130-F132 WeakPolarHBondContact O-CD2 3.5Å; S130-F132 PolarHBondContact O-N 3.26Å; S130-F132 VanDerWaalsContact O-N 3.12Å; S130-F132 WeakPolarHBondContact OG-CE2 3.31Å; S130-F132 WeakPolarHBondContact OG-CZ 3.36Å; F132-V134 PolarHBondContact O-N 2.76Å
133D70Confident70.4Confident83 Ų8368 Ų6844%0.44441%0.408SS..  trans-60.5124.2171.3-63.2-15.2000108.1F95 N97F95-D133 HydrophobicContact CB-CB 4.48Å; F95-D133 HydrophobicContact CD1-CB 4.41Å; N97-D133 PolarHBondContact ND2-OD1 3.44Å; N97-D133 VanDerWaalsContact OD1-CG 3.3Å; N97-D133 PolarHBondContact OD1-OD1 2.78Å; N97-D133 VanDerWaalsContact OD1-OD1 3.04Å
134V78.5Confident72.6Confident61 Ų6166.2 Ų66.237%0.3738%0.384SS..EExtended strand (participates in β ladder)trans-94.6108.6179.2-173.50000108.6I62 D96 F132 S136I62-V134 HydrophobicContact CG2-CG1 3.41Å; I62-V134 VanDerWaalsContact CG2-CG1 3.41Å; D96-V134 PolarHBondContact N-O 2.82Å; D96-V134 PolarHBondContact O-N 2.88Å; F132-V134 PolarHBondContact O-N 2.76Å; V134-S136 PolarHBondContact O-N 2.84Å
135E89Confident74.6Confident105 Ų10566.3 Ų66.349%0.49138%0.377SS..EExtended strand (participates in β ladder)trans-56.7133.4172.5-76.6170.5-160.600111.5I62 G63 F95I62-E135 CarbonylContact C-O 3.56Å; G63-E135 PolarHBondContact N-O 2.98Å; F95-E135 HydrophobicContact CD1-CG 3.59Å; F95-E135 HydrophobicContact CE1-CB 4.42Å; F95-E135 HydrophobicContact CE1-CG 3.18Å; F95-E135 HydrophobicContact CZ-CG 3.98Å
136S90.2Very high76.8Confident7 Ų760.1 Ų60.15%0.04935%0.345CS..EExtended strand (participates in β ladder)trans-128.1135.4172.2-60.10000109.6G61 I93 S94 V134G61-S136 CarbonylContact O-C 3.55Å; G61-S136 WeakPolarHBondContact O-CA 3.23Å; I93-S136 CarbonylContact C-O 3.52Å; I93-S136 WeakPolarHBondContact CA-O 3.41Å; S94-S136 PolarHBondContact N-O 2.75Å; S94-S136 PolarHBondContact O-N 3.08Å; V134-S136 PolarHBondContact O-N 2.84Å
137I92.2Very high78.6Confident14 Ų1458.7 Ų58.77%0.07233%0.333CS..EExtended strand (participates in β ladder)trans-118.3133.5175.9-164.1173.4000110.2V60 G61 C66 A69 I70 T91 I93 L139V60-I137 WeakPolarHBondContact CA-O 3.19Å; G61-I137 PolarHBondContact N-O 3.03Å; G61-I137 PolarHBondContact O-N 3.02Å; C66-I137 HydrophobicContact CB-CB 4.46Å; C66-I137 HydrophobicContact CB-CG2 3.79Å; A69-I137 HydrophobicContact CB-CG2 3.97Å; I70-I137 HydrophobicContact CD1-CD1 3.92Å; I70-I137 HydrophobicContact CG1-CD1 3.76Å; T91-I137 HydrophobicContact CG2-CD1 4.09Å; T91-I137 HydrophobicContact CG2-CG1 4.06Å; I93-I137 HydrophobicContact CG1-CG1 4.25Å; I137-L139 HydrophobicContact CD1-CD1 4.3Å; I137-L139 HydrophobicContact CD1-CD2 3.89Å; I137-L139 HydrophobicContact CD1-CG 4.18Å; I137-L139 HydrophobicContact CG1-CD2 4.09Å; I137-L139 HydrophobicContact CG1-CG 4.06Å
138Y92.5Very high79.7Confident12 Ų1259 Ų595%0.04734%0.335CS..EExtended strand (participates in β ladder)trans-119.2119.3177.7-57.1-97.3000108L15 L18 Y19 F59 V60 T91 K92 S94L15-Y138 HydrophobicContact CD2-CD1 3.66Å; L15-Y138 HydrophobicContact CD2-CE1 4.3Å; L18-Y138 HydrophobicContact CD1-CD1 3.62Å; L18-Y138 HydrophobicContact CD1-CD2 3.44Å; L18-Y138 VanDerWaalsContact CD1-CD2 3.44Å; L18-Y138 HydrophobicContact CD1-CE1 3.74Å; L18-Y138 HydrophobicContact CD1-CE2 3.58Å; L18-Y138 HydrophobicContact CD1-CG 3.46Å; L18-Y138 VanDerWaalsContact CD1-CG 3.46Å; Y19-Y138 PolarHBondContact OH-O 2.94Å; F59-Y138 WeakPolarHBondContact O-CA 3.36Å; V60-Y138 HydrophobicContact CB-CD1 4.47Å; V60-Y138 HydrophobicContact CG1-CD1 4.02Å; V60-Y138 HydrophobicContact CG1-CE1 3.73Å; V60-Y138 HydrophobicContact CG2-CD1 3.86Å; V60-Y138 HydrophobicContact CG2-CE1 4.17Å; T91-Y138 CarbonylContact C-O 3.58Å; T91-Y138 WeakPolarHBondContact CA-O 3.37Å; K92-Y138 PolarHBondContact N-O 3.09Å; K92-Y138 PolarHBondContact O-N 3.47Å; S94-Y138 WeakPolarHBondContact OG-CE2 3.44Å
139L93.7Very high80.8Confident4 Ų456.4 Ų56.42%0.02131%0.314CS..EExtended strand (participates in β ladder)trans-120.495.1-175.8-59.3161.6000109.4V58 F59 A69 I70 V73 T91 I137V58-L139 WeakPolarHBondContact CA-O 3.49Å; F59-L139 HydrophobicContact CB-CB 4.33Å; F59-L139 PolarHBondContact N-O 2.73Å; F59-L139 PolarHBondContact O-N 2.84Å; A69-L139 VanDerWaalsContact C-CD1 3.47Å; A69-L139 HydrophobicContact CB-CD1 4Å; I70-L139 HydrophobicContact CG1-CD1 4.14Å; V73-L139 HydrophobicContact CB-CD1 4.28Å; V73-L139 HydrophobicContact CG2-CB 3.65Å; V73-L139 HydrophobicContact CG2-CD1 3.67Å; V73-L139 HydrophobicContact CG2-CG 4.24Å; T91-L139 HydrophobicContact CG2-CD2 3.58Å; T91-L139 VanDerWaalsContact OG1-CD2 3.31Å; T91-L139 WeakPolarHBondContact OG1-CD2 3.47Å; I137-L139 HydrophobicContact CD1-CD1 4.3Å; I137-L139 HydrophobicContact CD1-CD2 3.89Å; I137-L139 HydrophobicContact CD1-CG 4.18Å; I137-L139 HydrophobicContact CG1-CD2 4.09Å; I137-L139 HydrophobicContact CG1-CG 4.06Å
140L93.7Very high80.8Confident0 Ų061.1 Ų61.10%033%0.331CS..EExtended strand (participates in β ladder)trans-76.5127.6172.9175.763.2000109.9Y19 F21 L22 K56 V58 Q89 R90 L146Y19-L140 HydrophobicContact CD1-CD2 3.85Å; Y19-L140 HydrophobicContact CE1-CB 3.97Å; Y19-L140 HydrophobicContact CE1-CD2 3.98Å; Y19-L140 HydrophobicContact CE2-CB 4.15Å; Y19-L140 HydrophobicContact CG-CD2 4.21Å; F21-L140 HydrophobicContact CE2-CD2 3.94Å; F21-L140 HydrophobicContact CZ-CD2 3.52Å; L22-L140 HydrophobicContact CD1-CD1 4.26Å; L22-L140 HydrophobicContact CD1-CD2 4.45Å; L22-L140 HydrophobicContact CD2-CD1 4.3Å; L22-L140 HydrophobicContact CD2-CD2 4.33Å; K56-L140 HydrophobicContact CB-CD1 4.14Å; V58-L140 HydrophobicContact CG2-CB 3.88Å; V58-L140 HydrophobicContact CG2-CD1 3.5Å; V58-L140 HydrophobicContact CG2-CG 4.28Å; Q89-L140 CarbonylContact C-O 3.56Å; Q89-L140 VanDerWaalsContact CA-O 3.23Å; Q89-L140 WeakPolarHBondContact CA-O 3.44Å; R90-L140 HydrophobicContact CB-CB 4.33Å; R90-L140 HydrophobicContact CB-CD2 4.46Å; R90-L140 PolarHBondContact N-O 3.25Å; R90-L140 PolarHBondContact O-N 3.25Å; L140-L146 HydrophobicContact CD2-CD1 4.01Å; L140-L146 HydrophobicContact CD2-CD2 3.73Å; L140-L146 HydrophobicContact CG-CD1 4.34Å; L140-L146 HydrophobicContact CG-CD2 4.35Å
141T93.1Very high80.3Confident0 Ų064.8 Ų64.80%035%0.35CS..EExtended strand (participates in β ladder)trans-123.9126.4173.9-530000108.3L49 K56 V57 L76 I87 H88L49-T141 HydrophobicContact CD1-CG2 4.28Å; K56-T141 CarbonylContact C-O 3.54Å; K56-T141 WeakPolarHBondContact CA-O 3.27Å; V57-T141 PolarHBondContact N-O 2.81Å; V57-T141 PolarHBondContact O-N 3.31Å; L76-T141 HydrophobicContact CD2-CG2 4.15Å; I87-T141 HydrophobicContact CG2-CG2 3.24Å; H88-T141 CarbonylContact O-C 3.55Å; H88-T141 WeakPolarHBondContact O-CA 3.32Å
142S92.4Very high79.9Confident0 Ų065.4 Ų65.40%036%0.36CS..EExtended strand (participates in β ladder)trans-132.4142.3-175.3179.70000111R55 H88 D144R55-S142 WeakPolarHBondContact O-CA 3.46Å; H88-S142 PolarHBondContact N-O 3.25Å; H88-S142 PolarHBondContact O-N 3.06Å; S142-D144 VanDerWaalsContact C-N 3.34Å; S142-D144 WeakPolarHBondContact CB-O 3.28Å; S142-D144 PolarHBondContact OG-N 3.46Å; S142-D144 VanDerWaalsContact OG-N 3.08Å; S142-D144 PolarHBondContact OG-O 2.99Å
143L91.1Very high79.6Confident25 Ų2562.5 Ų62.513%0.13135%0.352CS..SBendtrans-82.9-16.7169.1-64.3-174000112.7L49 R55 L80 V85L49-L143 HydrophobicContact CB-CD1 4.22Å; L49-L143 HydrophobicContact CB-CG 4.44Å; L49-L143 HydrophobicContact CD2-CG 4.35Å; L49-L143 WeakPolarHBondContact O-CD1 3.35Å; R55-L143 VanDerWaalsContact CZ-CB 3.43Å; R55-L143 VanDerWaalsContact NH1-CD1 3.33Å; R55-L143 PolarHBondContact O-N 3.14Å; L80-L143 HydrophobicContact CD1-CD2 4.39Å; V85-L143 HydrophobicContact CG1-CD2 3.5Å; V85-L143 VanDerWaalsContact CG1-CD2 3.5Å
144D89.4Confident78.6Confident59 Ų5967.1 Ų67.132%0.31638%0.376SS..SBendtrans-102.3150175.8-57.5-45.4000110.1R55 H88 S142 L146R55-D144 VanDerWaalsContact CB-OD2 3.24Å; R55-D144 WeakPolarHBondContact CB-OD2 3.45Å; R55-D144 WeakPolarHBondContact CG-OD2 3.36Å; R55-D144 IonicContact CZ-OD1 3.56Å; R55-D144 IonicContact CZ-OD2 3.46Å; R55-D144 IonicContact NE-OD1 3.41Å; R55-D144 PolarHBondContact NE-OD1 3.29Å; R55-D144 IonicContact NE-OD2 3.35Å; R55-D144 PolarHBondContact NE-OD2 3.26Å; R55-D144 IonicContact NH2-OD1 2.82Å; R55-D144 PolarHBondContact NH2-OD1 3.26Å; R55-D144 IonicContact NH2-OD2 2.72Å; H88-D144 PolarHBondContact CD2-O 3.02Å; S142-D144 VanDerWaalsContact C-N 3.34Å; S142-D144 WeakPolarHBondContact CB-O 3.28Å; S142-D144 PolarHBondContact OG-N 3.46Å; S142-D144 VanDerWaalsContact OG-N 3.08Å; S142-D144 PolarHBondContact OG-O 2.99Å; D144-L146 PolarHBondContact O-N 3.03Å
145P89.2Confident77.3Confident101 Ų10165.5 Ų65.566%0.65637%0.367SS*.PPolyproline II helixtrans-52.1134.9174.8-2735.3000111.9
146L87.7Confident75.2Confident26 Ų2662.7 Ų62.714%0.13637%0.366CS..PPolyproline II helixtrans-86.2137.2174.3-63.3176.6000108.9F21 H88 R90 L140 D144 E148F21-L146 HydrophobicContact CE2-CD2 3.74Å; F21-L146 HydrophobicContact CZ-CD2 4Å; H88-L146 HydrophobicContact CB-CD1 4.08Å; H88-L146 HydrophobicContact CB-CG 3.86Å; R90-L146 HydrophobicContact CB-CD1 3.78Å; L140-L146 HydrophobicContact CD2-CD1 4.01Å; L140-L146 HydrophobicContact CD2-CD2 3.73Å; L140-L146 HydrophobicContact CG-CD1 4.34Å; L140-L146 HydrophobicContact CG-CD2 4.35Å; D144-L146 PolarHBondContact O-N 3.03Å; L146-E148 PolarHBondContact O-N 3.04Å
147P84.6Confident73.1Confident64 Ų6467 Ų6742%0.41639%0.392SS..PPolyproline II helixtrans-61.8136176.826.7-33.4000109.3F21 R90 E149F21-P147 HydrophobicContact CB-CG 4.05Å; F21-P147 HydrophobicContact CD1-CG 3.8Å; F21-P147 HydrophobicContact CD2-CG 3.93Å; F21-P147 HydrophobicContact CE1-CG 4.24Å; F21-P147 HydrophobicContact CE2-CG 4.34Å; F21-P147 HydrophobicContact CG-CG 3.64Å; F21-P147 HydrophobicContact CZ-CG 4.48Å; R90-P147 PolarHBondContact NH1-O 2.92Å; R90-P147 PolarHBondContact NH2-O 3.26Å; P147-E149 PolarHBondContact O-N 2.94Å
148E75.6Confident71.2Confident182 Ų18273.4 Ų73.485%0.8542%0.421SS*.PPolyproline II helixtrans-59.9120.8171.5-67.5-173.4165.600108.1L146L146-E148 PolarHBondContact O-N 3.04Å
149E69Low69.2Low63 Ų6380.4 Ų80.429%0.29445%0.454SS..PPolyproline II helixtrans-83.2134.4170.5-100171.1-13800106.9R90 K92 P147 T151R90-E149 IonicContact CZ-OE1 3.46Å; R90-E149 IonicContact NH1-OE1 2.78Å; R90-E149 PolarHBondContact NH1-OE1 3.27Å; R90-E149 IonicContact NH1-OE2 3.81Å; K92-E149 WeakPolarHBondContact CE-OE2 3.45Å; K92-E149 IonicContact NZ-OE1 2.78Å; K92-E149 IonicContact NZ-OE2 3.91Å; K92-E149 PolarHBondContact NZ-OE2 3.22Å; P147-E149 PolarHBondContact O-N 2.94Å; E149-T151 PolarHBondContact O-N 3.49Å; E149-T151 VanDerWaalsContact O-N 3.12Å
150D51.7Low67Low162 Ų16283 Ų8387%0.86647%0.473SS*.PPolyproline II helixtrans-51.4121.3173.3-72.7-34.6000108.7A152D150-A152 PolarHBondContact O-N 3.15Å
151T45.5Very low64.6Low148 Ų14888.3 Ų88.391%0.90851%0.505SS*.SBendtrans-60.591.4-169.650.50000111.7E149E149-T151 PolarHBondContact O-N 3.49Å; E149-T151 VanDerWaalsContact O-N 3.12Å
152A49.9Very low62.3Low94 Ų9492.9 Ų92.978%0.77753%0.533SS*.  trans-130.6-13.1162.700000112.9D150D150-A152 PolarHBondContact O-N 3.15Å
153D53.8Low59.9Low102 Ų10297 Ų9755%0.54557%0.567SS.*  trans-106.5103.9-177.9-132.3-6.9000109.9K92 S155K92-D153 IonicContact NZ-OD2 3.89Å; K92-D153 PolarHBondContact NZ-OD2 3.16Å; D153-S155 PolarHBondContact O-N 3.24Å
154L47.9Very low57.6Low181 Ų181100.5 Ų100.595%0.94859%0.593SS**  trans-70.715.5-175.6-69.2171.3000114G156L154-G156 PolarHBondContact O-N 2.98Å
155S50.3Low55Low27 Ų27100.9 Ų100.919%0.18961%0.611CS.*SBendtrans-83.466.5175.167.70000111.7T91 D153T91-S155 VanDerWaalsContact O-CB 3.28Å; T91-S155 WeakPolarHBondContact O-CB 3.36Å; T91-S155 PolarHBondContact O-OG 2.89Å; D153-S155 PolarHBondContact O-N 3.24Å
156G45.2Very low52.5Low46 Ų46106.5 Ų106.547%0.47463%0.626SS.*  trans3785.8153.900000118.5L154 H158L154-G156 PolarHBondContact O-N 2.98Å; G156-H158 PolarHBondContact O-N 2.82Å
157V46.2Very low50.2Low97 Ų97116.3 Ų116.359%0.58866%0.661SS**  trans-65.398157.1177.70000108.4Q159V157-Q159 HydrophobicContact CG1-CG 4.18Å; V157-Q159 PolarHBondContact O-N 3.12Å
158H51.9Low47.8Very low148 Ų148121.3 Ų121.369%0.68568%0.679SS**  trans-77.9100.9164.9-106.8-82.2000108.3G156G156-H158 PolarHBondContact O-N 2.82Å
159Q51.8Low46.4Very low159 Ų159118 Ų11874%0.74367%0.67SS**  trans-61145.6171.6-72.3-179.7-8.400110.9V157V157-Q159 HydrophobicContact CG1-CG 4.18Å; V157-Q159 PolarHBondContact O-N 3.12Å
160S46.4Very low45Very low58 Ų58121.7 Ų121.741%0.40669%0.692SS.*  trans-36.5132.4-172.154.40000116.1V162S160-V162 VanDerWaalsContact C-N 3.27Å; S160-V162 PolarHBondContact O-N 3.3Å; S160-V162 WeakPolarHBondContact OG-CG2 3.39Å
161V44.8Very low44.7Very low112 Ų112118.6 Ų118.668%0.67968%0.683SS**  trans-69.990.8155.6177.40000107.2A163V161-A163 PolarHBondContact O-N 3.37Å
162V43.6Very low44.5Very low96 Ų96116.7 Ų116.758%0.58268%0.676SS**  trans-75.9102165.8-175.90000106.5S160 S164S160-V162 VanDerWaalsContact C-N 3.27Å; S160-V162 PolarHBondContact O-N 3.3Å; S160-V162 WeakPolarHBondContact OG-CG2 3.39Å; V162-S164 VanDerWaalsContact CG1-OG 3.23Å; V162-S164 WeakPolarHBondContact CG1-OG 2.97Å; V162-S164 PolarHBondContact O-N 3.37Å
163A41.8Very low44.5Very low86 Ų86123.5 Ų123.571%0.71168%0.682SS**  trans-72.568.2165.500000109.2V161V161-A163 PolarHBondContact O-N 3.37Å
164S42.6Very low44.4Very low99 Ų99125.8 Ų125.869%0.69269%0.693SS**  trans-89.8117172.7-93.10000110.1V162V162-S164 VanDerWaalsContact CG1-OG 3.23Å; V162-S164 WeakPolarHBondContact CG1-OG 2.97Å; V162-S164 PolarHBondContact O-N 3.37Å
165G35.7Very low44.7Very low67 Ų67124.5 Ų124.569%0.69168%0.684SS**  trans80104.1139.600000117.4R167G165-R167 PolarHBondContact O-N 3.34Å; G165-R167 VanDerWaalsContact O-N 3.09Å
166K36.6Very low44.9Very low220 Ų220131.7 Ų131.796%0.95772%0.715SS**  trans6.791.8143.2-64.6176.4178.7177.90114.9
167R38.6Very low45.6Very low231 Ų231135.7 Ų135.787%0.87273%0.73SS**  trans-104.190.4160.9-127176.3-178.8174.3-0.1108.7G165 V169G165-R167 PolarHBondContact O-N 3.34Å; G165-R167 VanDerWaalsContact O-N 3.09Å; R167-V169 HydrophobicContact CB-CG2 4.44Å; R167-V169 HydrophobicContact CG-CG2 4.33Å; R167-V169 PolarHBondContact O-N 3.27Å
168Q35.9Very low46.2Very low170 Ų170137 Ų13779%0.79474%0.741SS**  trans-65.9102.6164.5-172.4-177.4-24.600107.1
169V46.1Very low46.5Very low111 Ų111134.4 Ų134.467%0.67374%0.744SS**  trans-115.997.3171.2-174.50000107.1R167 S171R167-V169 HydrophobicContact CB-CG2 4.44Å; R167-V169 HydrophobicContact CG-CG2 4.33Å; R167-V169 PolarHBondContact O-N 3.27Å; V169-S171 PolarHBondContact O-N 3.18Å
170N37.6Very low47.2Very low141 Ų141132.2 Ų132.275%0.75474%0.738SS**  trans-62.4112.5163.1-72.8-16.9000107.7
171S45.9Very low47.9Very low97 Ų97134.8 Ų134.868%0.67875%0.753SS**  trans-138.993.5163.9-172.10000109.1V169V169-S171 PolarHBondContact O-N 3.18Å
172S42.6Very low48.6Very low109 Ų109140.1 Ų140.176%0.76276%0.761SS**  trans-81.3140.9165.125.50000108.9
173R48Very low49.2Very low237 Ų237144.7 Ų144.789%0.89477%0.773SS**  trans66.5107.2177.6-78.1174.9161.2-163.5-4.7115.8
174L52.5Low49.9Very low149 Ų149152 Ų15278%0.7878%0.782SS**  trans-164.8100.7137.8-97.6163.3000107.2
175M55Low50.6Low154 Ų154152.6 Ų152.676%0.75978%0.782SS**  90.497117.5-73.2-80.8-168.300115.3
176E53.4Low51.5Low178 Ų178158.9 Ų158.983%0.83279%0.79SS**  trans26.1122.9132.8-62.7177.8165.800119
177T60.6Low52.6Low131 Ų131157 Ų15780%0.80479%0.785SS**PPolyproline II helixtrans-57.8132.6174.947.60000113A179T177-A179 PolarHBondContact O-N 3.11Å
178P58.5Low53.4Low125 Ų125152.4 Ų152.481%0.81278%0.783SS**PPolyproline II helixtrans-70.4120.3161.428.3-30.2000109N180P178-N180 PolarHBondContact O-N 3.43Å
179A58.8Low54.3Low92 Ų92150 Ų15076%0.7679%0.785SS**PPolyproline II helixtrans-52.3126.5174.300000110.8T177 P181T177-A179 PolarHBondContact O-N 3.11Å; A179-P181 VanDerWaalsContact O-CD 3.28Å; A179-P181 WeakPolarHBondContact O-CD 3.28Å
180N65.6Low55.1Low114 Ų114149.2 Ų149.261%0.6179%0.79SS**PPolyproline II helixtrans-67.5116.6178.4-174.8-9.9000110.3P178 W182P178-N180 PolarHBondContact O-N 3.43Å; N180-W182 PolarHBondContact O-N 3.38Å; N180-W182 VanDerWaalsContact O-N 3.11Å; N180-W182 VanDerWaalsContact OD1-CD1 3.27Å; N180-W182 PolarHBondContact OD1-N 3.04Å
181P62.5Low56.3Low111 Ų111152.3 Ų152.372%0.72182%0.817SS**THydrogen-bonded Turntrans-75.95.9-172.725.6-28.8000115.2A179A179-P181 VanDerWaalsContact O-CD 3.28Å; A179-P181 WeakPolarHBondContact O-CD 3.28Å
182W59.4Low56.8Low224 Ų224155.1 Ų155.185%0.84882%0.824SS**THydrogen-bonded Turntrans-102.70-169.5-63.267.4000114.8N180 R184N180-W182 PolarHBondContact O-N 3.38Å; N180-W182 VanDerWaalsContact O-N 3.11Å; N180-W182 VanDerWaalsContact OD1-CD1 3.27Å; N180-W182 PolarHBondContact OD1-N 3.04Å; W182-R184 PolarHBondContact O-N 2.82Å
183K56.2Low57.6Low193 Ų193157.5 Ų157.584%0.83983%0.828SS**  trans-8872.2171.9-74.1-165.4177.1-173.20111.1
184R55.1Low58.1Low238 Ų238153.1 Ų153.190%0.89882%0.824SS**  trans-88.2111.4167.3-153.9179.9-76.7-165.9-1.7109.4W182W182-R184 PolarHBondContact O-N 2.82Å
185V57.9Low58.5Low113 Ų113153.3 Ų153.369%0.68583%0.826SS**  trans-50.4126.4176.5172.10000111.8Q187V185-Q187 HydrophobicContact CG1-CB 4.24Å; V185-Q187 HydrophobicContact CG1-CG 3.75Å
186K54.9Low58.7Low198 Ų198153.3 Ų153.386%0.86183%0.831SS**  trans-106.195.9151.1-86-174175.4-177.70107T188K186-T188 PolarHBondContact O-N 2.91Å
187Q58.6Low59Low181 Ų181151.6 Ų151.685%0.84683%0.831SS**  trans-70.5114.8160.7-89.7175.9-30.200107.2V185V185-Q187 HydrophobicContact CG1-CB 4.24Å; V185-Q187 HydrophobicContact CG1-CG 3.75Å
188T57.2Low58.9Low135 Ų135153.1 Ų153.183%0.82883%0.833SS**  trans-97.5109.2163.945.50000107.7K186K186-T188 PolarHBondContact O-N 2.91Å
189S53.8Low58.9Low119 Ų119155.2 Ų155.283%0.83283%0.834SS**  trans-76.4137.8160.949.60000109.8
190A63.2Low59Low95 Ų95160.5 Ų160.579%0.78584%0.84SS**  trans-156.4154.1161.800000107.7
191P63Low58.3Low205 Ų205164.7 Ų164.7100%1.33186%0.861SS**  cis-89.90-20.736.3-31.7000113.6

Retrieved 191 of 191 residues in 107.6 ms (Link to these results)