G4VQK1_SCHMA Loading...

T-complex protein 1 subunit beta

AlphaFold DB , UniProt , Accession G4VQK1, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 485 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
1M84.3Confident86.6Confident200 Ų20099.3 Ų99.399%0.98556%0.562SS**  01260-76.5-64.4-78.900107.7
2D87.3Confident86.6Confident54 Ų5497.7 Ų97.729%0.28956%0.555SS.*  trans-71.9157.1-175.3-52.5-16.7000111.6V14 T15 N16D2-V14 HydrophobicContact CB-CG1 3.87Å; D2-T15 WeakPolarHBondContact CA-O 3.44Å; D2-N16 WeakPolarHBondContact OD1-CB 3.39Å; D2-N16 PolarHBondContact OD1-ND2 3.05Å
3K91.1Very high86.6Confident112 Ų11295.4 Ų95.449%0.48754%0.537SS..EExtended strand (participates in β ladder)trans-110.5140.2175.3-55.1-57.7178.3-175.70109.8V14 T15 I21K3-V14 WeakPolarHBondContact O-CA 3.28Å; K3-T15 PolarHBondContact N-O 3.03Å; K3-T15 PolarHBondContact O-N 2.87Å; K3-I21 HydrophobicContact CB-CD1 4Å; K3-I21 HydrophobicContact CB-CG1 4.23Å; K3-I21 HydrophobicContact CG-CD1 3.61Å; K3-I21 HydrophobicContact CG-CG1 4.31Å
4I91.3Very high86.8Confident129 Ų12991.6 Ų91.666%0.66252%0.517SS*.EExtended strand (participates in β ladder)trans-95.7119.4173.1-54.5178.4000107.6V12 E13 V14I4-V12 HydrophobicContact CG2-CG1 3.77Å; I4-E13 CarbonylContact C-O 3.57Å; I4-E13 WeakPolarHBondContact CA-O 3.43Å; I4-V14 HydrophobicContact CG1-CG2 4.22Å
5L90.4Very high86.9Confident23 Ų2385.5 Ų85.512%0.1248%0.483CS..EExtended strand (participates in β ladder)trans-107.2130.1179.7-53.4173.9000108.6V12 E13 T15 T20 I21L5-V12 WeakPolarHBondContact O-CA 3.4Å; L5-E13 HydrophobicContact CB-CB 4.4Å; L5-E13 PolarHBondContact N-O 2.97Å; L5-E13 PolarHBondContact O-N 3.32Å; L5-T15 HydrophobicContact CD1-CG2 3.64Å; L5-T15 HydrophobicContact CG-CG2 4.37Å; L5-T20 HydrophobicContact CD1-CG2 4.42Å; L5-I21 HydrophobicContact CD1-CG1 4.37Å
6L89.6Confident86.9Confident121 Ų12182.1 Ų82.163%0.63446%0.463SS*.EExtended strand (participates in β ladder)trans-117.1114176.3-179.369.9000108.7V12L6-V12 HydrophobicContact CD1-CG2 3.81Å
7S86.7Confident86.8Confident40 Ų4077.7 Ų77.728%0.2844%0.438SS..  trans-85.7159.4175.3-68.30000111.6G9 D10 T11S7-G9 PolarHBondContact O-N 3.15Å; S7-D10 PolarHBondContact O-N 3.38Å; S7-D10 VanDerWaalsContact O-N 3.07Å; S7-T11 WeakPolarHBondContact CB-OG1 3.31Å; S7-T11 PolarHBondContact N-O 3.4Å; S7-T11 VanDerWaalsContact N-O 3.08Å
8P83.6Confident86.9Confident142 Ų14273.8 Ų73.892%0.92242%0.418SS*.THydrogen-bonded Turntrans-59.2-10.3179.3-25.234.5000116.1
9G84Confident87Confident59 Ų5969.9 Ų69.961%0.60840%0.396SS*.THydrogen-bonded Turntrans-97.620175.800000114.4S7 T11S7-G9 PolarHBondContact O-N 3.15Å; G9-T11 PolarHBondContact O-N 3Å; G9-T11 VanDerWaalsContact O-N 3.13Å
10D80Confident87.1Confident139 Ų13967.2 Ų67.274%0.74338%0.38SS*.SBendtrans57.620.8-175.4-63.9-31.4000114.5S7S7-D10 PolarHBondContact O-N 3.38Å; S7-D10 VanDerWaalsContact O-N 3.07Å
11T84.1Confident87.4Confident73 Ų7365.7 Ų65.745%0.44837%0.371SS..  trans-80.8121.7170.557.80000109.3S7 G9S7-T11 WeakPolarHBondContact CB-OG1 3.31Å; S7-T11 PolarHBondContact N-O 3.4Å; S7-T11 VanDerWaalsContact N-O 3.08Å; G9-T11 PolarHBondContact O-N 3Å; G9-T11 VanDerWaalsContact O-N 3.13Å
12V87.3Confident87.7Confident80 Ų8057.6 Ų57.649%0.48533%0.332SS..EExtended strand (participates in β ladder)trans-100.9121.6177.4-179.30000108.6I4 L5 L6I4-V12 HydrophobicContact CG2-CG1 3.77Å; L5-V12 WeakPolarHBondContact O-CA 3.4Å; L6-V12 HydrophobicContact CD1-CG2 3.81Å
13E86.1Confident87.9Confident68 Ų6859.2 Ų59.232%0.31834%0.336SS..EExtended strand (participates in β ladder)trans-116.9136.7173.8-67.8-176.8-157.900109.2I4 L5 R340I4-E13 CarbonylContact C-O 3.57Å; I4-E13 WeakPolarHBondContact CA-O 3.43Å; L5-E13 HydrophobicContact CB-CB 4.4Å; L5-E13 PolarHBondContact N-O 2.97Å; L5-E13 PolarHBondContact O-N 3.32Å; E13-R340 IonicContact OE2-NH2 3.22Å
14V89.4Confident87.7Confident43 Ų4356.4 Ų56.426%0.26133%0.33SS..EExtended strand (participates in β ladder)trans-115.2122.9174-176.70000106.2D2 K3 I4D2-V14 HydrophobicContact CB-CG1 3.87Å; K3-V14 WeakPolarHBondContact O-CA 3.28Å; I4-V14 HydrophobicContact CG1-CG2 4.22Å
15T88.4Confident87.6Confident0 Ų054 Ų540%032%0.318CS..EExtended strand (participates in β ladder)trans-150.3147.8-175.2-170.90000114D2 K3 L5 D17 T20 I21 E337 R340D2-T15 WeakPolarHBondContact CA-O 3.44Å; K3-T15 PolarHBondContact N-O 3.03Å; K3-T15 PolarHBondContact O-N 2.87Å; L5-T15 HydrophobicContact CD1-CG2 3.64Å; L5-T15 HydrophobicContact CG-CG2 4.37Å; T15-D17 PolarHBondContact OG1-N 3.33Å; T15-D17 VanDerWaalsContact OG1-N 3.17Å; T15-T20 HydrophobicContact CG2-CG2 3.81Å; T15-I21 HydrophobicContact CG2-CD1 4.45Å; T15-I21 HydrophobicContact CG2-CG1 3.72Å; T15-E337 WeakPolarHBondContact CA-OE1 3.5Å; T15-E337 VanDerWaalsContact CA-OE2 3.3Å; T15-E337 WeakPolarHBondContact CA-OE2 3.14Å; T15-E337 VanDerWaalsContact CB-OE2 3.22Å; T15-E337 WeakPolarHBondContact CB-OE2 3.4Å; T15-E337 PolarHBondContact OG1-OE1 3.09Å; T15-E337 PolarHBondContact OG1-OE2 3.3Å; T15-R340 PolarHBondContact OG1-NH1 3.36Å
16N87.2Confident87.4Confident30 Ų3057 Ų5716%0.1636%0.355CS..  trans-96-21.3168.5-156.8-73.6000112.6D2 G18 S121 E337D2-N16 WeakPolarHBondContact OD1-CB 3.39Å; D2-N16 PolarHBondContact OD1-ND2 3.05Å; N16-G18 PolarHBondContact O-N 3.06Å; N16-S121 PolarHBondContact ND2-O 2.89Å; N16-E337 PolarHBondContact N-OE1 3.18Å
17D85.7Confident87.3Confident8 Ų852.8 Ų52.84%0.04333%0.334CS..  trans-66.5122.1-173.5168.740.1000111.8T15 A19 T20 I21 T50 R340T15-D17 PolarHBondContact OG1-N 3.33Å; T15-D17 VanDerWaalsContact OG1-N 3.17Å; D17-A19 VanDerWaalsContact C-N 3.29Å; D17-A19 PolarHBondContact O-N 2.75Å; D17-A19 PolarHBondContact OD1-N 3.42Å; D17-A19 VanDerWaalsContact OD1-N 3.12Å; D17-T20 PolarHBondContact O-N 3.04Å; D17-T20 VanDerWaalsContact OD2-CB 3.27Å; D17-T20 WeakPolarHBondContact OD2-CB 3.27Å; D17-T20 PolarHBondContact OD2-N 2.87Å; D17-T20 PolarHBondContact OD2-OG1 3.3Å; D17-I21 WeakPolarHBondContact O-CD1 3.07Å; D17-I21 VanDerWaalsContact O-CG1 3.3Å; D17-I21 WeakPolarHBondContact O-CG1 3.21Å; D17-I21 PolarHBondContact O-N 2.88Å; D17-T50 WeakPolarHBondContact OD1-CB 3.47Å; D17-T50 PolarHBondContact OD1-OG1 3.28Å; D17-R340 HydrophobicContact CB-CG 4.48Å
18G88Confident87.5Confident7 Ų756.2 Ų56.27%0.07235%0.35CS..Hα-helixtrans-61.2-37.4-179.100000112.4N16 I21 L22 T50 T51N16-G18 PolarHBondContact O-N 3.06Å; G18-I21 PolarHBondContact O-N 2.89Å; G18-L22 VanDerWaalsContact O-CB 3.3Å; G18-L22 WeakPolarHBondContact O-CB 3.42Å; G18-L22 WeakPolarHBondContact O-CG 3.21Å; G18-L22 PolarHBondContact O-N 3.5Å; G18-T50 PolarHBondContact N-OG1 3.4Å; G18-T51 WeakPolarHBondContact CA-OG1 3.48Å; G18-T51 PolarHBondContact N-OG1 3.13Å
19A89.4Confident88Confident0 Ų053.8 Ų53.80%033%0.329CS..Hα-helixtrans-66.5-46.4179.700000110.8D17 I21 L22 K23 S39 D43 T50D17-A19 VanDerWaalsContact C-N 3.29Å; D17-A19 PolarHBondContact O-N 2.75Å; D17-A19 PolarHBondContact OD1-N 3.42Å; D17-A19 VanDerWaalsContact OD1-N 3.12Å; A19-I21 VanDerWaalsContact C-N 3.35Å; A19-I21 PolarHBondContact O-N 3.44Å; A19-L22 PolarHBondContact O-N 3.32Å; A19-K23 VanDerWaalsContact O-CB 3.26Å; A19-K23 WeakPolarHBondContact O-CB 3.49Å; A19-K23 WeakPolarHBondContact O-CG 3.24Å; A19-K23 PolarHBondContact O-N 3.39Å; A19-S39 WeakPolarHBondContact CA-OG 3.4Å; A19-D43 HydrophobicContact CB-CB 3.91Å; A19-T50 HydrophobicContact CB-CG2 3.73Å
20T88.3Confident88.4Confident15 Ų1553.9 Ų53.99%0.09232%0.319CS..Hα-helixtrans-60.8-42.1176.9-61.60000112.2L5 T15 D17 S24 R340L5-T20 HydrophobicContact CD1-CG2 4.42Å; T15-T20 HydrophobicContact CG2-CG2 3.81Å; D17-T20 PolarHBondContact O-N 3.04Å; D17-T20 VanDerWaalsContact OD2-CB 3.27Å; D17-T20 WeakPolarHBondContact OD2-CB 3.27Å; D17-T20 PolarHBondContact OD2-N 2.87Å; D17-T20 PolarHBondContact OD2-OG1 3.3Å; T20-S24 WeakPolarHBondContact O-CB 3.49Å; T20-S24 PolarHBondContact O-N 3.12Å; T20-S24 VanDerWaalsContact O-N 3.11Å; T20-S24 PolarHBondContact O-OG 3.45Å; T20-R340 WeakPolarHBondContact OG1-CD 3.42Å; T20-R340 PolarHBondContact OG1-NE 2.87Å
21I92.5Very high89.1Confident36 Ų3648.6 Ų48.619%0.18529%0.294CS..Hα-helixtrans-61.4-50.4175.6-66.2163000110.1K3 L5 T15 D17 G18 A19 K23 S24 I25K3-I21 HydrophobicContact CB-CD1 4Å; K3-I21 HydrophobicContact CB-CG1 4.23Å; K3-I21 HydrophobicContact CG-CD1 3.61Å; K3-I21 HydrophobicContact CG-CG1 4.31Å; L5-I21 HydrophobicContact CD1-CG1 4.37Å; T15-I21 HydrophobicContact CG2-CD1 4.45Å; T15-I21 HydrophobicContact CG2-CG1 3.72Å; D17-I21 WeakPolarHBondContact O-CD1 3.07Å; D17-I21 VanDerWaalsContact O-CG1 3.3Å; D17-I21 WeakPolarHBondContact O-CG1 3.21Å; D17-I21 PolarHBondContact O-N 2.88Å; G18-I21 PolarHBondContact O-N 2.89Å; A19-I21 VanDerWaalsContact C-N 3.35Å; A19-I21 PolarHBondContact O-N 3.44Å; I21-K23 PolarHBondContact O-N 3.47Å; I21-S24 PolarHBondContact O-N 3.17Å; I21-I25 PolarHBondContact O-N 3.02Å
22L92.5Very high89.6Confident30 Ų3046.7 Ų46.716%0.15729%0.286CS..Hα-helixtrans-67.4-34.6-177.4-71.4174.8000113.1G18 A19 S24 I25 V36 T54G18-L22 VanDerWaalsContact O-CB 3.3Å; G18-L22 WeakPolarHBondContact O-CB 3.42Å; G18-L22 WeakPolarHBondContact O-CG 3.21Å; G18-L22 PolarHBondContact O-N 3.5Å; A19-L22 PolarHBondContact O-N 3.32Å; L22-S24 VanDerWaalsContact C-N 3.32Å; L22-I25 HydrophobicContact CD2-CD1 3.84Å; L22-I25 VanDerWaalsContact O-CG1 3.28Å; L22-I25 WeakPolarHBondContact O-CG1 3.14Å; L22-V36 HydrophobicContact CB-CB 4.45Å; L22-V36 HydrophobicContact CB-CG1 4.29Å; L22-V36 HydrophobicContact CB-CG2 4.07Å; L22-V36 HydrophobicContact CD2-CG2 4.33Å; L22-V36 WeakPolarHBondContact O-CG1 3.48Å; L22-T54 HydrophobicContact CD1-CG2 3.82Å; L22-T54 WeakPolarHBondContact CD1-OG1 3.09Å
23K89.6Confident89.9Confident89 Ų8948.2 Ų48.239%0.38729%0.286SS..Hα-helixtrans-65.4-36173.9-75.3168-178.4176.70111.5A19 I21 K40 D43A19-K23 VanDerWaalsContact O-CB 3.26Å; A19-K23 WeakPolarHBondContact O-CB 3.49Å; A19-K23 WeakPolarHBondContact O-CG 3.24Å; A19-K23 PolarHBondContact O-N 3.39Å; I21-K23 PolarHBondContact O-N 3.47Å; K23-K40 HydrophobicContact CD-CD 4.41Å; K23-K40 HydrophobicContact CD-CG 4.33Å; K23-K40 VanDerWaalsContact CE-CG 3.41Å; K23-K40 HydrophobicContact CG-CD 4.08Å; K23-K40 HydrophobicContact CG-CG 4.03Å; K23-D43 IonicContact NZ-OD2 2.78Å; K23-D43 PolarHBondContact NZ-OD2 2.97Å
24S87.8Confident90.3Very high52 Ų5247.3 Ų47.336%0.36428%0.283SS..Hα-helixtrans-81.9-27.3-175.3-63.70000114.1T20 I21 L22T20-S24 WeakPolarHBondContact O-CB 3.49Å; T20-S24 PolarHBondContact O-N 3.12Å; T20-S24 VanDerWaalsContact O-N 3.11Å; T20-S24 PolarHBondContact O-OG 3.45Å; I21-S24 PolarHBondContact O-N 3.17Å; L22-S24 VanDerWaalsContact C-N 3.32Å
25I88.9Confident90.5Very high78 Ų7846.5 Ų46.540%0.428%0.277SS..SBendtrans-76.1128.3179.755.9166.4000111.4I21 L22 V27I21-I25 PolarHBondContact O-N 3.02Å; L22-I25 HydrophobicContact CD2-CD1 3.84Å; L22-I25 VanDerWaalsContact O-CG1 3.28Å; L22-I25 WeakPolarHBondContact O-CG1 3.14Å; I25-V27 HydrophobicContact CB-CG2 4.42Å; I25-V27 HydrophobicContact CD1-CG2 3.63Å; I25-V27 HydrophobicContact CG1-CG2 3.75Å; I25-V27 PolarHBondContact O-N 2.95Å
26G85.9Confident90.8Very high87 Ų8747.3 Ų47.390%0.89728%0.282SS*.  trans-7397173.500000111.4
27V88.8Confident91.1Very high32 Ų3250.7 Ų50.719%0.19430%0.297CS..  trans-100.2125.9-178.5-178.70000111.5I25 N29 A32 K33 V36I25-V27 HydrophobicContact CB-CG2 4.42Å; I25-V27 HydrophobicContact CD1-CG2 3.63Å; I25-V27 HydrophobicContact CG1-CG2 3.75Å; I25-V27 PolarHBondContact O-N 2.95Å; V27-N29 HydrophobicContact CG1-CB 4.49Å; V27-A32 HydrophobicContact CG1-CB 3.35Å; V27-K33 HydrophobicContact CB-CG 4.47Å; V27-K33 HydrophobicContact CG1-CG 4.24Å; V27-K33 WeakPolarHBondContact O-CE 3.34Å; V27-V36 HydrophobicContact CG2-CG2 4.24Å
28D91Very high91.5Very high113 Ų11351 Ų5160%0.60430%0.298SS*.  trans-93.9-28.9175.2-99.77000113.4R474D28-R474 IonicContact OD2-NH2 3.48Å; D28-R474 PolarHBondContact OD2-NH2 2.73Å
29N93Very high91.8Very high90 Ų9050.7 Ų50.748%0.48130%0.295SS..  trans-71124.6-176.9-178.5-30.9000110.7V27 A31 A32 K33V27-N29 HydrophobicContact CG1-CB 4.49Å; N29-A31 PolarHBondContact O-N 3.21Å; N29-A31 WeakPolarHBondContact OD1-CB 3.42Å; N29-A31 PolarHBondContact OD1-N 3.07Å; N29-A32 HydrophobicContact CB-CB 4.1Å; N29-A32 PolarHBondContact O-N 3.1Å; N29-K33 PolarHBondContact O-N 2.58Å
30P93.5Very high91.9Very high62 Ų6253.6 Ų53.640%0.40331%0.307SS..Hα-helixtrans-62.5-36.4-178.325.2-34000113.6A32 K33 I34 I472P30-A32 VanDerWaalsContact C-N 3.33Å; P30-A32 PolarHBondContact O-N 3.14Å; P30-K33 WeakPolarHBondContact O-CB 3.42Å; P30-K33 PolarHBondContact O-N 2.9Å; P30-I34 WeakPolarHBondContact O-CG1 3.5Å; P30-I34 PolarHBondContact O-N 3.48Å; P30-I34 VanDerWaalsContact O-N 3.11Å; P30-I472 HydrophobicContact CG-CD1 4.22Å; P30-I472 HydrophobicContact CG-CG2 3.78Å
31A93.7Very high92.1Very high27 Ų2756 Ų5622%0.22332%0.322CS..Hα-helixtrans-65.2-39.6177.100000111.4N29 K33 I34 L35 I466N29-A31 PolarHBondContact O-N 3.21Å; N29-A31 WeakPolarHBondContact OD1-CB 3.42Å; N29-A31 PolarHBondContact OD1-N 3.07Å; A31-K33 VanDerWaalsContact C-N 3.35Å; A31-I34 WeakPolarHBondContact O-CB 3.49Å; A31-I34 PolarHBondContact O-N 3.19Å; A31-L35 PolarHBondContact O-N 3.38Å; A31-I466 HydrophobicContact CB-CD1 4.23Å; A31-I466 HydrophobicContact CB-CG1 4.21Å; A31-I466 HydrophobicContact CB-CG2 4.14Å
32A94.4Very high92.1Very high34 Ų3454.3 Ų54.328%0.28131%0.313SS..Hα-helixtrans-69.3-32.6175.200000112V27 N29 P30 I34 L35 V36V27-A32 HydrophobicContact CG1-CB 3.35Å; N29-A32 HydrophobicContact CB-CB 4.1Å; N29-A32 PolarHBondContact O-N 3.1Å; P30-A32 VanDerWaalsContact C-N 3.33Å; P30-A32 PolarHBondContact O-N 3.14Å; A32-I34 VanDerWaalsContact C-N 3.31Å; A32-I34 PolarHBondContact O-N 3.46Å; A32-L35 PolarHBondContact O-N 3.3Å; A32-V36 WeakPolarHBondContact O-CG2 3.19Å; A32-V36 PolarHBondContact O-N 3Å
33K94Very high92.1Very high111 Ų11154 Ų5448%0.48331%0.311SS..Hα-helixtrans-63-35.2171.5-71.3-177-179-178.30113V27 N29 P30 A31 L35 V36 E37V27-K33 HydrophobicContact CB-CG 4.47Å; V27-K33 HydrophobicContact CG1-CG 4.24Å; V27-K33 WeakPolarHBondContact O-CE 3.34Å; N29-K33 PolarHBondContact O-N 2.58Å; P30-K33 WeakPolarHBondContact O-CB 3.42Å; P30-K33 PolarHBondContact O-N 2.9Å; A31-K33 VanDerWaalsContact C-N 3.35Å; K33-L35 VanDerWaalsContact C-N 3.31Å; K33-V36 PolarHBondContact O-N 3.22Å; K33-E37 WeakPolarHBondContact O-CB 3.47Å; K33-E37 PolarHBondContact O-N 3.44Å
34I94.2Very high92.2Very high49 Ų4955.6 Ų55.625%0.25133%0.325SS..Hα-helixtrans-60.9-43.7174-66.8168.3000110.1P30 A31 A32 E37 M38 A462 M465 I466P30-I34 WeakPolarHBondContact O-CG1 3.5Å; P30-I34 PolarHBondContact O-N 3.48Å; P30-I34 VanDerWaalsContact O-N 3.11Å; A31-I34 WeakPolarHBondContact O-CB 3.49Å; A31-I34 PolarHBondContact O-N 3.19Å; A32-I34 VanDerWaalsContact C-N 3.31Å; A32-I34 PolarHBondContact O-N 3.46Å; I34-E37 PolarHBondContact O-N 3.47Å; I34-M38 WeakPolarHBondContact O-CB 3.44Å; I34-M38 PolarHBondContact O-N 3.01Å; I34-A462 HydrophobicContact CG2-CB 4.28Å; I34-M465 HydrophobicContact CG2-CE 3.77Å; I34-I466 HydrophobicContact CB-CD1 4.25Å; I34-I466 HydrophobicContact CB-CG1 4.43Å; I34-I466 HydrophobicContact CD1-CG1 3.87Å; I34-I466 HydrophobicContact CG2-CD1 4.16Å; I34-I466 HydrophobicContact CG2-CG1 4.32Å
35L94.6Very high92.2Very high27 Ų2758.8 Ų58.814%0.14133%0.334CS..Hα-helixtrans-65.6-38.4176.8-63.4178.8000112.9A31 A32 K33 M38 S39 T54 A57 A462 I466A31-L35 PolarHBondContact O-N 3.38Å; A32-L35 PolarHBondContact O-N 3.3Å; K33-L35 VanDerWaalsContact C-N 3.31Å; L35-M38 HydrophobicContact CD2-CE 3.89Å; L35-S39 PolarHBondContact O-N 3.35Å; L35-S39 VanDerWaalsContact O-N 3.09Å; L35-T54 HydrophobicContact CB-CG2 4.43Å; L35-A57 HydrophobicContact CD2-CB 3.6Å; L35-A462 HydrophobicContact CD2-CB 4.42Å; L35-I466 HydrophobicContact CD2-CD1 4.26Å; L35-I466 HydrophobicContact CG-CD1 4.3Å
36V94.4Very high92.2Very high16 Ų1655.2 Ų55.210%0.09732%0.315CS..Hα-helixtrans-61.2-48.1173.9173.20000110.1L22 V27 A32 K33 S39 K40L22-V36 HydrophobicContact CB-CB 4.45Å; L22-V36 HydrophobicContact CB-CG1 4.29Å; L22-V36 HydrophobicContact CB-CG2 4.07Å; L22-V36 HydrophobicContact CD2-CG2 4.33Å; L22-V36 WeakPolarHBondContact O-CG1 3.48Å; V27-V36 HydrophobicContact CG2-CG2 4.24Å; A32-V36 WeakPolarHBondContact O-CG2 3.19Å; A32-V36 PolarHBondContact O-N 3Å; K33-V36 PolarHBondContact O-N 3.22Å; V36-S39 WeakPolarHBondContact O-CB 3.13Å; V36-S39 PolarHBondContact O-N 3.19Å; V36-K40 WeakPolarHBondContact O-CG 3.3Å; V36-K40 PolarHBondContact O-N 2.81Å; V36-K40 VanDerWaalsContact O-N 3.13Å
37E93.1Very high92.3Very high102 Ų10251.1 Ų51.148%0.47727%0.273SS..Hα-helixtrans-66.4-41.3-177.7-162.863.8-170.100112.2K33 I34 S39 K40 V41K33-E37 WeakPolarHBondContact O-CB 3.47Å; K33-E37 PolarHBondContact O-N 3.44Å; I34-E37 PolarHBondContact O-N 3.47Å; E37-S39 VanDerWaalsContact C-N 3.29Å; E37-S39 PolarHBondContact O-N 3.2Å; E37-K40 WeakPolarHBondContact O-CB 3.39Å; E37-K40 PolarHBondContact O-N 3.42Å; E37-K40 VanDerWaalsContact O-N 3.09Å; E37-K40 IonicContact OE2-NZ 2.89Å; E37-K40 PolarHBondContact OE2-NZ 3.15Å; E37-V41 WeakPolarHBondContact O-CG2 3.46Å; E37-V41 PolarHBondContact O-N 3.25Å
38M93.4Very high92.3Very high15 Ų1550.8 Ų50.87%0.07427%0.27CS..Hα-helixtrans-57.8-41.7172.6176-164.262.200112I34 L35 K40 V41 Q42 V53 A57 S458 A462I34-M38 WeakPolarHBondContact O-CB 3.44Å; I34-M38 PolarHBondContact O-N 3.01Å; L35-M38 HydrophobicContact CD2-CE 3.89Å; M38-K40 VanDerWaalsContact C-N 3.29Å; M38-K40 PolarHBondContact O-N 3.47Å; M38-V41 PolarHBondContact O-N 3.06Å; M38-Q42 PolarHBondContact O-N 2.99Å; M38-V53 HydrophobicContact CE-CG1 4.21Å; M38-V53 HydrophobicContact CE-CG2 4.09Å; M38-V53 HydrophobicContact CG-CG2 4.06Å; M38-V53 HydrophobicContact SD-CG2 3.72Å; M38-A57 HydrophobicContact CE-CB 3.71Å; M38-A57 HydrophobicContact SD-CB 3.98Å; M38-S458 VanDerWaalsContact SD-O 3.4Å; M38-A462 HydrophobicContact CB-CB 4.44Å; M38-A462 HydrophobicContact CE-CB 4.42Å; M38-A462 HydrophobicContact CG-CB 4.28Å; M38-A462 HydrophobicContact SD-CB 3.33Å; M38-A462 WeakPolarHBondContact SD-CB 3.36Å
39S93.9Very high92.3Very high0 Ų045.8 Ų45.80%025%0.245CC..Hα-helixtrans-63.5-36.1176.5-167.30000111.8A19 L35 V36 E37 Q42 D43 T50A19-S39 WeakPolarHBondContact CA-OG 3.4Å; L35-S39 PolarHBondContact O-N 3.35Å; L35-S39 VanDerWaalsContact O-N 3.09Å; V36-S39 WeakPolarHBondContact O-CB 3.13Å; V36-S39 PolarHBondContact O-N 3.19Å; E37-S39 VanDerWaalsContact C-N 3.29Å; E37-S39 PolarHBondContact O-N 3.2Å; S39-Q42 PolarHBondContact O-N 3.41Å; S39-D43 WeakPolarHBondContact O-CB 3.29Å; S39-D43 PolarHBondContact O-N 2.93Å; S39-D43 VanDerWaalsContact O-N 3.07Å; S39-T50 PolarHBondContact OG-O 3.28Å
40K92.5Very high92.3Very high60 Ų6041.8 Ų41.826%0.26122%0.224SC..Hα-helixtrans-66.4-42.6172.5-50.1-163.8-168.6130.30112.4K23 V36 E37 M38 Q42 D43 D44K23-K40 HydrophobicContact CD-CD 4.41Å; K23-K40 HydrophobicContact CD-CG 4.33Å; K23-K40 VanDerWaalsContact CE-CG 3.41Å; K23-K40 HydrophobicContact CG-CD 4.08Å; K23-K40 HydrophobicContact CG-CG 4.03Å; V36-K40 WeakPolarHBondContact O-CG 3.3Å; V36-K40 PolarHBondContact O-N 2.81Å; V36-K40 VanDerWaalsContact O-N 3.13Å; E37-K40 WeakPolarHBondContact O-CB 3.39Å; E37-K40 PolarHBondContact O-N 3.42Å; E37-K40 VanDerWaalsContact O-N 3.09Å; E37-K40 IonicContact OE2-NZ 2.89Å; E37-K40 PolarHBondContact OE2-NZ 3.15Å; M38-K40 VanDerWaalsContact C-N 3.29Å; M38-K40 PolarHBondContact O-N 3.47Å; K40-Q42 VanDerWaalsContact C-N 3.27Å; K40-Q42 PolarHBondContact O-N 3.02Å; K40-D43 VanDerWaalsContact O-CB 3.31Å; K40-D43 WeakPolarHBondContact O-CB 3.49Å; K40-D43 PolarHBondContact O-N 3.34Å; K40-D43 VanDerWaalsContact O-N 3.14Å; K40-D44 VanDerWaalsContact O-CG 3.23Å; K40-D44 PolarHBondContact O-N 3.43Å
41V93.5Very high92.3Very high65 Ų6541.7 Ų41.739%0.39422%0.222SC..Hα-helixtrans-61.7-39178173.30000110.9E37 M38 D44 E45E37-V41 WeakPolarHBondContact O-CG2 3.46Å; E37-V41 PolarHBondContact O-N 3.25Å; M38-V41 PolarHBondContact O-N 3.06Å; V41-D44 PolarHBondContact O-N 2.97Å; V41-E45 HydrophobicContact CG1-CG 4.24Å; V41-E45 WeakPolarHBondContact O-CB 3.38Å; V41-E45 WeakPolarHBondContact O-CG 3.38Å; V41-E45 PolarHBondContact O-N 3.41Å
42Q92.6Very high92.3Very high1 Ų142.5 Ų42.51%0.00523%0.227CC..Hα-helixtrans-63.8-41.3174.2-175.66728.200112.1M38 S39 K40 V46 G47 D48 V53M38-Q42 PolarHBondContact O-N 2.99Å; S39-Q42 PolarHBondContact O-N 3.41Å; K40-Q42 VanDerWaalsContact C-N 3.27Å; K40-Q42 PolarHBondContact O-N 3.02Å; Q42-V46 WeakPolarHBondContact O-CA 3.23Å; Q42-V46 WeakPolarHBondContact O-CB 3.35Å; Q42-V46 PolarHBondContact O-N 3.36Å; Q42-G47 PolarHBondContact O-N 2.96Å; Q42-G47 VanDerWaalsContact O-N 3.1Å; Q42-D48 WeakPolarHBondContact CG-O 3.37Å; Q42-D48 PolarHBondContact NE2-O 3.26Å; Q42-V53 HydrophobicContact CB-CG1 3.88Å; Q42-V53 HydrophobicContact CG-CB 4.37Å; Q42-V53 HydrophobicContact CG-CG1 3.93Å
43D92.2Very high92.3Very high23 Ų2340.9 Ų40.912%0.12321%0.213CC..Hα-helixtrans-62.1-45.8175.5-16636.5000111.3A19 K23 S39 K40 G47 T50A19-D43 HydrophobicContact CB-CB 3.91Å; K23-D43 IonicContact NZ-OD2 2.78Å; K23-D43 PolarHBondContact NZ-OD2 2.97Å; S39-D43 WeakPolarHBondContact O-CB 3.29Å; S39-D43 PolarHBondContact O-N 2.93Å; S39-D43 VanDerWaalsContact O-N 3.07Å; K40-D43 VanDerWaalsContact O-CB 3.31Å; K40-D43 WeakPolarHBondContact O-CB 3.49Å; K40-D43 PolarHBondContact O-N 3.34Å; K40-D43 VanDerWaalsContact O-N 3.14Å; D43-G47 WeakPolarHBondContact O-CA 3.44Å; D43-G47 PolarHBondContact O-N 2.94Å; D43-T50 HydrophobicContact CB-CG2 3.81Å
44D90Very high92.4Very high124 Ų12436.7 Ų36.766%0.66320%0.197SC*.Hα-helixtrans-72.3-39.1-177.1-63.7-20.3000113K40 V41K40-D44 VanDerWaalsContact O-CG 3.23Å; K40-D44 PolarHBondContact O-N 3.43Å; V41-D44 PolarHBondContact O-N 2.97Å
45E88.6Confident92.5Very high119 Ų11936.1 Ų36.156%0.55620%0.196SC*.Hα-helixtrans-85.6-35.1-177.2-69-69149.700113.2V41V41-E45 HydrophobicContact CG1-CG 4.24Å; V41-E45 WeakPolarHBondContact O-CB 3.38Å; V41-E45 WeakPolarHBondContact O-CG 3.38Å; V41-E45 PolarHBondContact O-N 3.41Å
46V89.9Confident92.6Very high2 Ų234.9 Ų34.91%0.01219%0.189CC..THydrogen-bonded Turntrans-117.9-40.3-172.3-175.40000112.7Q42 D48 C347 L351 V451 H454Q42-V46 WeakPolarHBondContact O-CA 3.23Å; Q42-V46 WeakPolarHBondContact O-CB 3.35Å; Q42-V46 PolarHBondContact O-N 3.36Å; V46-D48 VanDerWaalsContact C-N 3.26Å; V46-D48 PolarHBondContact O-N 3.27Å; V46-C347 WeakPolarHBondContact O-CB 3.46Å; V46-L351 VanDerWaalsContact CA-CD1 3.47Å; V46-L351 HydrophobicContact CB-CD1 4.27Å; V46-L351 HydrophobicContact CG1-CD1 4.07Å; V46-L351 VanDerWaalsContact O-CD1 3.22Å; V46-L351 WeakPolarHBondContact O-CD1 3.47Å; V46-V451 HydrophobicContact CG1-CB 4.09Å; V46-V451 HydrophobicContact CG1-CG1 4.49Å; V46-V451 HydrophobicContact CG1-CG2 3.42Å; V46-V451 VanDerWaalsContact CG1-CG2 3.42Å; V46-H454 HydrophobicContact CG2-CB 3.82Å
47G86.7Confident92.7Very high1 Ų134.1 Ų34.11%0.0118%0.184CC..SBendtrans76.92.5-174.600000115.1Q42 D43 D344Q42-G47 PolarHBondContact O-N 2.96Å; Q42-G47 VanDerWaalsContact O-N 3.1Å; D43-G47 WeakPolarHBondContact O-CA 3.44Å; D43-G47 PolarHBondContact O-N 2.94Å; G47-D344 VanDerWaalsContact O-CA 3.28Å; G47-D344 WeakPolarHBondContact O-CA 3.36Å; G47-D344 WeakPolarHBondContact O-CB 3.45Å
48D90Very high92.9Very high26 Ų2631 Ų3114%0.13918%0.177CC..SBendtrans-147.9164.2174-167.418.9000110.9Q42 V46 T50 T118 V348Q42-D48 WeakPolarHBondContact CG-O 3.37Å; Q42-D48 PolarHBondContact NE2-O 3.26Å; V46-D48 VanDerWaalsContact C-N 3.26Å; V46-D48 PolarHBondContact O-N 3.27Å; D48-T50 VanDerWaalsContact C-N 3.32Å; D48-T118 HydrophobicContact CB-CG2 4.48Å; D48-T118 WeakPolarHBondContact OD2-CG2 3.48Å; D48-T118 PolarHBondContact OD2-OG1 2.83Å; D48-V348 HydrophobicContact CB-CG2 3.23Å
49G90.1Very high93.1Very high7 Ų731 Ų317%0.07218%0.176CC..  trans78.913.5-176.200000114T51 S52 V53G49-T51 VanDerWaalsContact C-N 3.29Å; G49-T51 PolarHBondContact O-N 3.47Å; G49-S52 PolarHBondContact O-N 3.4Å; G49-S52 VanDerWaalsContact O-N 3.14Å; G49-V53 PolarHBondContact O-N 3.32Å
50T92.6Very high93.2Very high6 Ų631 Ų314%0.03718%0.176CC..Hα-helixtrans-56.6-38.918059.30000112.8D17 G18 A19 S39 D43 D48 V53 T54D17-T50 WeakPolarHBondContact OD1-CB 3.47Å; D17-T50 PolarHBondContact OD1-OG1 3.28Å; G18-T50 PolarHBondContact N-OG1 3.4Å; A19-T50 HydrophobicContact CB-CG2 3.73Å; S39-T50 PolarHBondContact OG-O 3.28Å; D43-T50 HydrophobicContact CB-CG2 3.81Å; D48-T50 VanDerWaalsContact C-N 3.32Å; T50-V53 VanDerWaalsContact O-CG1 3.31Å; T50-V53 WeakPolarHBondContact O-CG1 3.49Å; T50-T54 PolarHBondContact O-OG1 3.41Å
51T93.4Very high93.4Very high60 Ų6029.8 Ų29.837%0.36817%0.173SC..Hα-helixtrans-73.4-46.7174.8-57.90000111.2G18 G49 V53 T54 V55G18-T51 WeakPolarHBondContact CA-OG1 3.48Å; G18-T51 PolarHBondContact N-OG1 3.13Å; G49-T51 VanDerWaalsContact C-N 3.29Å; G49-T51 PolarHBondContact O-N 3.47Å; T51-V53 VanDerWaalsContact C-N 3.34Å; T51-V53 PolarHBondContact O-N 2.92Å; T51-T54 PolarHBondContact O-N 3.33Å; T51-V55 HydrophobicContact CG2-CG2 4.19Å; T51-V55 WeakPolarHBondContact O-CG2 3.45Å; T51-V55 PolarHBondContact O-N 3.12Å
52S94.1Very high93.6Very high45 Ų4533 Ų3332%0.31518%0.177SC..Hα-helixtrans-65.5-36.8-173.5-55.60000112.2G49 V55 L56G49-S52 PolarHBondContact O-N 3.4Å; G49-S52 VanDerWaalsContact O-N 3.14Å; S52-V55 PolarHBondContact O-N 3.07Å; S52-L56 WeakPolarHBondContact O-CB 3.45Å; S52-L56 PolarHBondContact O-N 3.19Å
53V95.4Very high93.7Very high0 Ų033.4 Ų33.40%018%0.179CC..Hα-helixtrans-64.9-42175.273.10000111.6M38 Q42 G49 T50 T51 A57 A459M38-V53 HydrophobicContact CE-CG1 4.21Å; M38-V53 HydrophobicContact CE-CG2 4.09Å; M38-V53 HydrophobicContact CG-CG2 4.06Å; M38-V53 HydrophobicContact SD-CG2 3.72Å; Q42-V53 HydrophobicContact CB-CG1 3.88Å; Q42-V53 HydrophobicContact CG-CB 4.37Å; Q42-V53 HydrophobicContact CG-CG1 3.93Å; G49-V53 PolarHBondContact O-N 3.32Å; T50-V53 VanDerWaalsContact O-CG1 3.31Å; T50-V53 WeakPolarHBondContact O-CG1 3.49Å; T51-V53 VanDerWaalsContact C-N 3.34Å; T51-V53 PolarHBondContact O-N 2.92Å; V53-A57 WeakPolarHBondContact O-CB 3.48Å; V53-A57 PolarHBondContact O-N 2.9Å; V53-A459 HydrophobicContact CG2-CB 4.16Å
54T95.7Very high93.9Very high22 Ų2232.3 Ų32.314%0.13517%0.173CC..Hα-helixtrans-67.2-43.2177.1-55.60000111.8L22 L35 T50 T51 A57 A58L22-T54 HydrophobicContact CD1-CG2 3.82Å; L22-T54 WeakPolarHBondContact CD1-OG1 3.09Å; L35-T54 HydrophobicContact CB-CG2 4.43Å; T50-T54 PolarHBondContact O-OG1 3.41Å; T51-T54 PolarHBondContact O-N 3.33Å; T54-A57 PolarHBondContact O-N 3.24Å; T54-A58 WeakPolarHBondContact O-CB 3.5Å; T54-A58 PolarHBondContact O-N 3.06Å
55V96.2Very high94.1Very high38 Ų3833 Ų3323%0.2317%0.173CC..Hα-helixtrans-63.5-46.5178.4173.40000110.4T51 S52 A57 A58 E59 L398 I401T51-V55 HydrophobicContact CG2-CG2 4.19Å; T51-V55 WeakPolarHBondContact O-CG2 3.45Å; T51-V55 PolarHBondContact O-N 3.12Å; S52-V55 PolarHBondContact O-N 3.07Å; V55-A57 PolarHBondContact O-N 3.1Å; V55-A58 PolarHBondContact O-N 3.49Å; V55-E59 HydrophobicContact CG1-CG 4.34Å; V55-E59 WeakPolarHBondContact O-CG 3.49Å; V55-E59 PolarHBondContact O-N 2.75Å; V55-L398 HydrophobicContact CB-CD2 4.04Å; V55-L398 HydrophobicContact CG1-CD2 3.7Å; V55-I401 HydrophobicContact CG1-CD1 3.39Å
56L97.1Very high94.5Very high0 Ų031.9 Ų31.90%017%0.168CC..Hα-helixtrans-61.6-45.6178.3-177.858.2000111.7S52 A58 E59 L60 A394 L395 L398 L455 A459S52-L56 WeakPolarHBondContact O-CB 3.45Å; S52-L56 PolarHBondContact O-N 3.19Å; L56-A58 VanDerWaalsContact C-N 3.31Å; L56-A58 PolarHBondContact O-N 2.69Å; L56-E59 PolarHBondContact O-N 3.07Å; L56-L60 HydrophobicContact CD1-CG 4.39Å; L56-L60 HydrophobicContact CG-CD1 4.27Å; L56-L60 WeakPolarHBondContact O-CB 3.5Å; L56-L60 VanDerWaalsContact O-CG 3.32Å; L56-L60 WeakPolarHBondContact O-CG 3.38Å; L56-L60 PolarHBondContact O-N 3.13Å; L56-A394 HydrophobicContact CD1-CB 4.28Å; L56-L395 HydrophobicContact CD1-CD2 3.96Å; L56-L395 HydrophobicContact CD1-CG 4.42Å; L56-L395 HydrophobicContact CD2-CD2 3.99Å; L56-L398 HydrophobicContact CB-CD1 4.21Å; L56-L398 HydrophobicContact CB-CD2 4.38Å; L56-L398 HydrophobicContact CD1-CD1 4.22Å; L56-L398 HydrophobicContact CD2-CD1 4.43Å; L56-L455 HydrophobicContact CD2-CD2 3.47Å; L56-L455 VanDerWaalsContact CD2-CD2 3.47Å; L56-L455 HydrophobicContact CD2-CG 4.38Å; L56-A459 HydrophobicContact CB-CB 3.91Å; L56-A459 HydrophobicContact CD2-CB 3.74Å; L56-A459 HydrophobicContact CG-CB 3.75Å
57A96.7Very high94.7Very high0 Ų032.4 Ų32.40%017%0.17CC..Hα-helixtrans-60.6-41.3177.200000111.9L35 M38 V53 T54 V55 L60 L61 A459 A462L35-A57 HydrophobicContact CD2-CB 3.6Å; M38-A57 HydrophobicContact CE-CB 3.71Å; M38-A57 HydrophobicContact SD-CB 3.98Å; V53-A57 WeakPolarHBondContact O-CB 3.48Å; V53-A57 PolarHBondContact O-N 2.9Å; T54-A57 PolarHBondContact O-N 3.24Å; V55-A57 PolarHBondContact O-N 3.1Å; A57-L60 PolarHBondContact O-N 3.18Å; A57-L61 VanDerWaalsContact O-CG 3.27Å; A57-L61 WeakPolarHBondContact O-CG 3.46Å; A57-L61 PolarHBondContact O-N 3.28Å; A57-A459 HydrophobicContact CB-CB 4.1Å; A57-A462 HydrophobicContact CB-CB 4.4Å
58A96.6Very high95.1Very high38 Ų3836.1 Ų36.131%0.31419%0.189SC..Hα-helixtrans-67.5-41177.500000112.8T54 V55 L56 L61 R62T54-A58 WeakPolarHBondContact O-CB 3.5Å; T54-A58 PolarHBondContact O-N 3.06Å; V55-A58 PolarHBondContact O-N 3.49Å; L56-A58 VanDerWaalsContact C-N 3.31Å; L56-A58 PolarHBondContact O-N 2.69Å; A58-L61 PolarHBondContact O-N 3.42Å; A58-R62 PolarHBondContact O-N 3.48Å
59E96.9Very high95.3Very high13 Ų1338.7 Ų38.76%0.06121%0.214CC..Hα-helixtrans-68.2-36.5176.2-68.6-58.4141.300111.8V55 L56 L61 R62 E63 A394 R397 I401V55-E59 HydrophobicContact CG1-CG 4.34Å; V55-E59 WeakPolarHBondContact O-CG 3.49Å; V55-E59 PolarHBondContact O-N 2.75Å; L56-E59 PolarHBondContact O-N 3.07Å; E59-L61 PolarHBondContact O-N 2.99Å; E59-R62 VanDerWaalsContact CD-NH1 3.27Å; E59-R62 PolarHBondContact O-N 3.27Å; E59-R62 IonicContact OE1-CZ 3.81Å; E59-R62 VanDerWaalsContact OE1-CZ 3.27Å; E59-R62 IonicContact OE1-NH1 2.75Å; E59-R62 PolarHBondContact OE1-NH1 2.91Å; E59-R62 IonicContact OE1-NH2 2.87Å; E59-R62 PolarHBondContact OE1-NH2 2.96Å; E59-R62 IonicContact OE2-CZ 2.62Å; E59-R62 IonicContact OE2-NH1 3.45Å; E59-R62 PolarHBondContact OE2-NH1 3.31Å; E59-E63 WeakPolarHBondContact O-CG 3.48Å; E59-E63 PolarHBondContact O-N 2.87Å; E59-A394 HydrophobicContact CB-CB 4.15Å; E59-R397 HydrophobicContact CB-CB 4.38Å; E59-R397 HydrophobicContact CG-CB 3.87Å; E59-R397 HydrophobicContact CG-CG 4.35Å; E59-I401 HydrophobicContact CG-CD1 4.48Å
60L97.2Very high95.5Very high0 Ų041.5 Ų41.50%024%0.236CC..Hα-helixtrans-58.7-47.4170.1-75.1171.4000111L56 A57 R62 E63 G64 W81 F391 A394 A459 A463L56-L60 HydrophobicContact CD1-CG 4.39Å; L56-L60 HydrophobicContact CG-CD1 4.27Å; L56-L60 WeakPolarHBondContact O-CB 3.5Å; L56-L60 VanDerWaalsContact O-CG 3.32Å; L56-L60 WeakPolarHBondContact O-CG 3.38Å; L56-L60 PolarHBondContact O-N 3.13Å; A57-L60 PolarHBondContact O-N 3.18Å; L60-R62 VanDerWaalsContact C-N 3.33Å; L60-R62 PolarHBondContact O-N 3.45Å; L60-E63 PolarHBondContact O-N 3.36Å; L60-G64 PolarHBondContact O-N 2.93Å; L60-W81 HydrophobicContact CB-CH2 4Å; L60-W81 HydrophobicContact CB-CZ2 4.23Å; L60-W81 HydrophobicContact CB-CZ3 4.49Å; L60-W81 HydrophobicContact CD2-CZ2 4.39Å; L60-W81 WeakPolarHBondContact O-CH2 3.26Å; L60-W81 WeakPolarHBondContact O-CZ2 3.28Å; L60-F391 HydrophobicContact CD1-CD2 4.27Å; L60-F391 HydrophobicContact CD1-CE2 3.84Å; L60-F391 HydrophobicContact CD2-CB 4.27Å; L60-F391 HydrophobicContact CD2-CD2 3.31Å; L60-F391 HydrophobicContact CD2-CE2 3.75Å; L60-F391 HydrophobicContact CD2-CG 3.91Å; L60-F391 HydrophobicContact CG-CD2 4.45Å; L60-F391 HydrophobicContact CG-CE2 4.46Å; L60-A394 HydrophobicContact CD2-CB 3.6Å; L60-A394 HydrophobicContact CG-CB 3.93Å; L60-A459 HydrophobicContact CD1-CB 4.45Å; L60-A463 HydrophobicContact CB-CB 3.82Å; L60-A463 HydrophobicContact CD1-CB 4.01Å
61L96.8Very high95.5Very high36 Ų3650 Ų5019%0.18827%0.273CS..Hα-helixtrans-62.6-38.5177.7-68.7169.9000112.8A57 A58 E59 G64 E65 A463 I466 I467A57-L61 VanDerWaalsContact O-CG 3.27Å; A57-L61 WeakPolarHBondContact O-CG 3.46Å; A57-L61 PolarHBondContact O-N 3.28Å; A58-L61 PolarHBondContact O-N 3.42Å; E59-L61 PolarHBondContact O-N 2.99Å; L61-G64 PolarHBondContact O-N 3.04Å; L61-E65 PolarHBondContact O-N 3.4Å; L61-A463 HydrophobicContact CD2-CB 4.33Å; L61-A463 HydrophobicContact CG-CB 4.43Å; L61-I466 HydrophobicContact CD1-CB 4.37Å; L61-I466 HydrophobicContact CD1-CD1 3.63Å; L61-I466 HydrophobicContact CD1-CG2 4.15Å; L61-I466 HydrophobicContact CD2-CB 3.78Å; L61-I466 HydrophobicContact CD2-CG2 3.64Å; L61-I467 HydrophobicContact CD2-CG1 3.83Å
62R96.7Very high95.5Very high131 Ų13147.7 Ų47.749%0.49426%0.258SS..Hα-helixtrans-64.2-41.8175.4-173.6-177.4-67.2154.94.4112.1A58 E59 L60 G64 Q66A58-R62 PolarHBondContact O-N 3.48Å; E59-R62 VanDerWaalsContact CD-NH1 3.27Å; E59-R62 PolarHBondContact O-N 3.27Å; E59-R62 IonicContact OE1-CZ 3.81Å; E59-R62 VanDerWaalsContact OE1-CZ 3.27Å; E59-R62 IonicContact OE1-NH1 2.75Å; E59-R62 PolarHBondContact OE1-NH1 2.91Å; E59-R62 IonicContact OE1-NH2 2.87Å; E59-R62 PolarHBondContact OE1-NH2 2.96Å; E59-R62 IonicContact OE2-CZ 2.62Å; E59-R62 IonicContact OE2-NH1 3.45Å; E59-R62 PolarHBondContact OE2-NH1 3.31Å; L60-R62 VanDerWaalsContact C-N 3.33Å; L60-R62 PolarHBondContact O-N 3.45Å; R62-G64 VanDerWaalsContact C-N 3.33Å; R62-Q66 PolarHBondContact O-N 3.41Å
63E95.9Very high95.5Very high10 Ų1051.4 Ų51.45%0.04727%0.27CS..Hα-helixtrans-68.1-36173.4-72.8-64.3127.900111.5E59 L60 Q66 L67 R393 A394E59-E63 WeakPolarHBondContact O-CG 3.48Å; E59-E63 PolarHBondContact O-N 2.87Å; L60-E63 PolarHBondContact O-N 3.36Å; E63-Q66 WeakPolarHBondContact O-CB 3.3Å; E63-Q66 PolarHBondContact O-N 3.32Å; E63-Q66 PolarHBondContact OE1-NE2 2.78Å; E63-Q66 VanDerWaalsContact OE1-NE2 3.07Å; E63-L67 WeakPolarHBondContact O-CG 3.32Å; E63-L67 PolarHBondContact O-N 3.4Å; E63-L67 VanDerWaalsContact O-N 3.13Å; E63-R393 IonicContact OE2-CZ 3.11Å; E63-R393 IonicContact OE2-NE 3.38Å; E63-R393 IonicContact OE2-NH1 3.6Å; E63-R393 PolarHBondContact OE2-NH1 3.21Å; E63-A394 HydrophobicContact CG-CB 4.42Å
64G94.9Very high95.5Very high0 Ų053.3 Ų53.30%028%0.283CS..Hα-helixtrans-61.1-43173.800000113.3L60 L61 R62 Q66 L67 I68L60-G64 PolarHBondContact O-N 2.93Å; L61-G64 PolarHBondContact O-N 3.04Å; R62-G64 VanDerWaalsContact C-N 3.33Å; G64-Q66 VanDerWaalsContact C-N 3.31Å; G64-Q66 PolarHBondContact O-N 3.15Å; G64-L67 PolarHBondContact O-N 3.03Å; G64-I68 WeakPolarHBondContact O-CG1 3.43Å; G64-I68 PolarHBondContact O-N 2.94Å
65E95.4Very high95.4Very high140 Ų14055.9 Ų55.965%0.65429%0.293SS*.Hα-helixtrans-57.2-44.2174.5-175.8-178.4-171.300111.5L61 L67 I68 A69L61-E65 PolarHBondContact O-N 3.4Å; E65-L67 VanDerWaalsContact C-N 3.35Å; E65-L67 PolarHBondContact O-N 3.47Å; E65-I68 PolarHBondContact O-N 3.49Å; E65-A69 WeakPolarHBondContact O-CB 3.35Å; E65-A69 PolarHBondContact O-N 3.45Å
66Q95.3Very high95.3Very high95 Ų9555.6 Ų55.644%0.44429%0.292SS..Hα-helixtrans-62.3-40.8176.9-65.1172.748.700112.1R62 E63 G64 A69 A70R62-Q66 PolarHBondContact O-N 3.41Å; E63-Q66 WeakPolarHBondContact O-CB 3.3Å; E63-Q66 PolarHBondContact O-N 3.32Å; E63-Q66 PolarHBondContact OE1-NE2 2.78Å; E63-Q66 VanDerWaalsContact OE1-NE2 3.07Å; G64-Q66 VanDerWaalsContact C-N 3.31Å; G64-Q66 PolarHBondContact O-N 3.15Å; Q66-A69 PolarHBondContact O-N 3.28Å; Q66-A70 WeakPolarHBondContact O-CB 3.35Å; Q66-A70 PolarHBondContact O-N 2.69Å
67L95Very high95.3Very high13 Ų1355.6 Ų55.67%0.06829%0.292CS..Hα-helixtrans-68.2-38.4177.4-66.7178.9000112.4E63 G64 E65 A70 K71 L72 I77 L386 A387 S390E63-L67 WeakPolarHBondContact O-CG 3.32Å; E63-L67 PolarHBondContact O-N 3.4Å; E63-L67 VanDerWaalsContact O-N 3.13Å; G64-L67 PolarHBondContact O-N 3.03Å; E65-L67 VanDerWaalsContact C-N 3.35Å; E65-L67 PolarHBondContact O-N 3.47Å; L67-A70 CarbonylContact O-C 3.54Å; L67-A70 WeakPolarHBondContact O-CA 3.38Å; L67-A70 WeakPolarHBondContact O-CB 3.37Å; L67-A70 PolarHBondContact O-N 3.42Å; L67-K71 PolarHBondContact O-N 3.49Å; L67-L72 HydrophobicContact CB-CB 4.43Å; L67-L72 HydrophobicContact CB-CD2 4.44Å; L67-L72 HydrophobicContact CD2-CD2 4.22Å; L67-L72 WeakPolarHBondContact O-CB 3.49Å; L67-L72 PolarHBondContact O-N 3.41Å; L67-I77 HydrophobicContact CB-CD1 3.59Å; L67-I77 HydrophobicContact CB-CG1 4.1Å; L67-I77 HydrophobicContact CD1-CD1 4.33Å; L67-I77 HydrophobicContact CD1-CG1 4.1Å; L67-I77 HydrophobicContact CD1-CG2 4.06Å; L67-L386 HydrophobicContact CD2-CB 4.31Å; L67-A387 HydrophobicContact CD1-CB 4.15Å; L67-S390 WeakPolarHBondContact CD1-OG 3.32Å
68I94.7Very high95.2Very high78 Ų7855.7 Ų55.740%0.429%0.292SS..Hα-helixtrans-64.3-43.4174.4-67.4168.5000110G64 E65 A70 K71 P74 I77G64-I68 WeakPolarHBondContact O-CG1 3.43Å; G64-I68 PolarHBondContact O-N 2.94Å; E65-I68 PolarHBondContact O-N 3.49Å; I68-A70 PolarHBondContact O-N 3.21Å; I68-K71 WeakPolarHBondContact O-CA 3.12Å; I68-K71 PolarHBondContact O-N 3.03Å; I68-P74 HydrophobicContact CD1-CG 4.47Å; I68-I77 HydrophobicContact CD1-CD1 4.48Å; I68-I77 HydrophobicContact CG1-CD1 3.64Å
69A94.7Very high95.2Very high80 Ų8058 Ų5866%0.66130%0.296SS*.Hα-helixtrans-60.4-33.8174.100000112.2E65 Q66 K71E65-A69 WeakPolarHBondContact O-CB 3.35Å; E65-A69 PolarHBondContact O-N 3.45Å; Q66-A69 PolarHBondContact O-N 3.28Å; A69-K71 PolarHBondContact O-N 2.74Å
70A93.5Very high95.1Very high66 Ų6657.4 Ų57.455%0.54529%0.294SS..THydrogen-bonded Turntrans-76.210.4171.100000114.3Q66 L67 I68 L72Q66-A70 WeakPolarHBondContact O-CB 3.35Å; Q66-A70 PolarHBondContact O-N 2.69Å; L67-A70 CarbonylContact O-C 3.54Å; L67-A70 WeakPolarHBondContact O-CA 3.38Å; L67-A70 WeakPolarHBondContact O-CB 3.37Å; L67-A70 PolarHBondContact O-N 3.42Å; I68-A70 PolarHBondContact O-N 3.21Å; A70-L72 HydrophobicContact CB-CD1 4.12Å; A70-L72 PolarHBondContact O-N 3.4Å
71K93.1Very high95.1Very high184 Ų18457.6 Ų57.680%0.829%0.294SS*.THydrogen-bonded Turntrans65.131.6177.3-52179.5178.5179.50114.3L67 I68 A69L67-K71 PolarHBondContact O-N 3.49Å; I68-K71 WeakPolarHBondContact O-CA 3.12Å; I68-K71 PolarHBondContact O-N 3.03Å; A69-K71 PolarHBondContact O-N 2.74Å
72L93.4Very high95Very high13 Ų1361.2 Ų61.27%0.06831%0.306CS..  trans-81.5137.7164.8-80.572.4000109.7L67 A70 I77 K383 L386L67-L72 HydrophobicContact CB-CB 4.43Å; L67-L72 HydrophobicContact CB-CD2 4.44Å; L67-L72 HydrophobicContact CD2-CD2 4.22Å; L67-L72 WeakPolarHBondContact O-CB 3.49Å; L67-L72 PolarHBondContact O-N 3.41Å; A70-L72 HydrophobicContact CB-CD1 4.12Å; A70-L72 PolarHBondContact O-N 3.4Å; L72-I77 HydrophobicContact CB-CD1 4.24Å; L72-I77 HydrophobicContact CB-CG1 4.11Å; L72-K383 HydrophobicContact CD2-CB 4.2Å; L72-K383 HydrophobicContact CG-CB 4.44Å; L72-K383 HydrophobicContact CG-CD 4.39Å; L72-L386 HydrophobicContact CD1-CD1 4.43Å; L72-L386 HydrophobicContact CD2-CB 4.23Å; L72-L386 HydrophobicContact CD2-CD1 4.41Å
73H94.7Very high95Very high122 Ų12258.7 Ų58.757%0.56530%0.299SS*.  trans-70.9134.6176.9-170.8-83.7000109.6Q75 T76 I77H73-Q75 VanDerWaalsContact ND1-CB 3.3Å; H73-Q75 WeakPolarHBondContact ND1-CB 3.24Å; H73-Q75 PolarHBondContact ND1-N 3.11Å; H73-Q75 VanDerWaalsContact ND1-N 3.15Å; H73-Q75 PolarHBondContact O-N 3.17Å; H73-Q75 VanDerWaalsContact O-N 3.13Å; H73-T76 WeakPolarHBondContact O-CA 3.37Å; H73-T76 WeakPolarHBondContact O-CB 3.46Å; H73-T76 PolarHBondContact O-N 3.44Å; H73-I77 PolarHBondContact O-N 3.28Å
74P94.7Very high95Very high41 Ų4158.2 Ų58.227%0.26630%0.297SS..Hα-helixtrans-49.2-42-179.8-31.936.9000113.9I68 T76 I77 V78 I467I68-P74 HydrophobicContact CD1-CG 4.47Å; P74-T76 VanDerWaalsContact C-N 3.29Å; P74-T76 PolarHBondContact O-N 2.94Å; P74-I77 WeakPolarHBondContact O-CB 3.49Å; P74-I77 PolarHBondContact O-N 3.15Å; P74-I77 VanDerWaalsContact O-N 3.08Å; P74-V78 WeakPolarHBondContact O-CG2 3.29Å; P74-V78 PolarHBondContact O-N 2.95Å; P74-I467 HydrophobicContact CB-CG2 3.73Å
75Q94.4Very high95.1Very high76 Ų7659.1 Ų59.136%0.35530%0.303SS..Hα-helixtrans-61.1-32.6176.9-165.661.226.200114.1H73 Q79H73-Q75 VanDerWaalsContact ND1-CB 3.3Å; H73-Q75 WeakPolarHBondContact ND1-CB 3.24Å; H73-Q75 PolarHBondContact ND1-N 3.11Å; H73-Q75 VanDerWaalsContact ND1-N 3.15Å; H73-Q75 PolarHBondContact O-N 3.17Å; H73-Q75 VanDerWaalsContact O-N 3.13Å; Q75-Q79 VanDerWaalsContact O-CG 3.31Å; Q75-Q79 WeakPolarHBondContact O-CG 3.47Å; Q75-Q79 PolarHBondContact O-N 3.05Å
76T94.7Very high95.2Very high32 Ų3259.5 Ų59.520%0.19630%0.302CS..Hα-helixtrans-72.9-35.1175.5-54.10000111H73 P74 Q79 G80 K383 I384H73-T76 WeakPolarHBondContact O-CA 3.37Å; H73-T76 WeakPolarHBondContact O-CB 3.46Å; H73-T76 PolarHBondContact O-N 3.44Å; P74-T76 VanDerWaalsContact C-N 3.29Å; P74-T76 PolarHBondContact O-N 2.94Å; T76-Q79 PolarHBondContact O-N 3.34Å; T76-G80 PolarHBondContact O-N 3.29Å; T76-G80 VanDerWaalsContact O-N 3.07Å; T76-K383 HydrophobicContact CG2-CB 3.96Å; T76-I384 HydrophobicContact CG2-CG1 3.98Å
77I95.6Very high95.2Very high0 Ų058 Ų580%030%0.297CS..Hα-helixtrans-63.1-49.2174-58.9171.5000109.4L67 I68 L72 H73 P74 Q79 G80 W81 A387 I467L67-I77 HydrophobicContact CB-CD1 3.59Å; L67-I77 HydrophobicContact CB-CG1 4.1Å; L67-I77 HydrophobicContact CD1-CD1 4.33Å; L67-I77 HydrophobicContact CD1-CG1 4.1Å; L67-I77 HydrophobicContact CD1-CG2 4.06Å; I68-I77 HydrophobicContact CD1-CD1 4.48Å; I68-I77 HydrophobicContact CG1-CD1 3.64Å; L72-I77 HydrophobicContact CB-CD1 4.24Å; L72-I77 HydrophobicContact CB-CG1 4.11Å; H73-I77 PolarHBondContact O-N 3.28Å; P74-I77 WeakPolarHBondContact O-CB 3.49Å; P74-I77 PolarHBondContact O-N 3.15Å; P74-I77 VanDerWaalsContact O-N 3.08Å; I77-Q79 VanDerWaalsContact C-N 3.31Å; I77-Q79 PolarHBondContact O-N 3.2Å; I77-G80 PolarHBondContact O-N 3.49Å; I77-G80 VanDerWaalsContact O-N 3.14Å; I77-W81 HydrophobicContact CG2-CD2 3.86Å; I77-W81 HydrophobicContact CG2-CE3 4.26Å; I77-W81 HydrophobicContact CG2-CG 4.41Å; I77-W81 HydrophobicContact CG2-CH2 4.26Å; I77-W81 HydrophobicContact CG2-CZ2 3.79Å; I77-W81 HydrophobicContact CG2-CZ3 4.44Å; I77-W81 PolarHBondContact O-N 2.92Å; I77-A387 HydrophobicContact CG2-CB 4.43Å; I77-I467 HydrophobicContact CG2-CD1 3.98Å
78V95.8Very high95.3Very high1 Ų157.4 Ų57.41%0.00629%0.294CS..Hα-helixtrans-56.9-43.4176.5171.10000111.9P74 W81 R82 E464 I467 R468P74-V78 WeakPolarHBondContact O-CG2 3.29Å; P74-V78 PolarHBondContact O-N 2.95Å; V78-W81 PolarHBondContact O-N 3.43Å; V78-R82 WeakPolarHBondContact O-CG 3.36Å; V78-R82 PolarHBondContact O-N 2.93Å; V78-E464 HydrophobicContact CB-CG 4.5Å; V78-E464 HydrophobicContact CG1-CB 4.46Å; V78-E464 VanDerWaalsContact CG1-CD 3.49Å; V78-E464 HydrophobicContact CG1-CG 3.61Å; V78-E464 HydrophobicContact CG2-CG 4.08Å; V78-I467 HydrophobicContact CG2-CB 4.49Å; V78-I467 HydrophobicContact CG2-CG2 3.9Å; V78-R468 HydrophobicContact CG2-CG 3.9Å
79Q94.8Very high95.3Very high87 Ų8755.1 Ų55.141%0.40728%0.282SS..Hα-helixtrans-59.9-47.4175.9-77.3172.7-1500111.9Q75 T76 I77 R82 E83Q75-Q79 VanDerWaalsContact O-CG 3.31Å; Q75-Q79 WeakPolarHBondContact O-CG 3.47Å; Q75-Q79 PolarHBondContact O-N 3.05Å; T76-Q79 PolarHBondContact O-N 3.34Å; I77-Q79 VanDerWaalsContact C-N 3.31Å; I77-Q79 PolarHBondContact O-N 3.2Å; Q79-R82 PolarHBondContact O-N 3.36Å; Q79-E83 PolarHBondContact O-N 2.9Å; Q79-E83 VanDerWaalsContact O-N 3.17Å
80G95.4Very high95.4Very high0 Ų055.9 Ų55.90%028%0.278CS..Hα-helixtrans-65.9-37.1178.100000113.5T76 I77 E83 A84 M388T76-G80 PolarHBondContact O-N 3.29Å; T76-G80 VanDerWaalsContact O-N 3.07Å; I77-G80 PolarHBondContact O-N 3.49Å; I77-G80 VanDerWaalsContact O-N 3.14Å; G80-E83 PolarHBondContact O-N 3.13Å; G80-A84 WeakPolarHBondContact O-CB 3.44Å; G80-A84 PolarHBondContact O-N 2.95Å; G80-M388 VanDerWaalsContact O-CG 3.31Å; G80-M388 WeakPolarHBondContact O-CG 3.4Å
81W96.8Very high95.4Very high5 Ų553 Ų532%0.01926%0.255CS..Hα-helixtrans-65.9-40.7174.3-71.9-7.6000112.6L60 I77 V78 E83 A84 T85 A387 S390 F391 A463 I467L60-W81 HydrophobicContact CB-CH2 4Å; L60-W81 HydrophobicContact CB-CZ2 4.23Å; L60-W81 HydrophobicContact CB-CZ3 4.49Å; L60-W81 HydrophobicContact CD2-CZ2 4.39Å; L60-W81 WeakPolarHBondContact O-CH2 3.26Å; L60-W81 WeakPolarHBondContact O-CZ2 3.28Å; I77-W81 HydrophobicContact CG2-CD2 3.86Å; I77-W81 HydrophobicContact CG2-CE3 4.26Å; I77-W81 HydrophobicContact CG2-CG 4.41Å; I77-W81 HydrophobicContact CG2-CH2 4.26Å; I77-W81 HydrophobicContact CG2-CZ2 3.79Å; I77-W81 HydrophobicContact CG2-CZ3 4.44Å; I77-W81 PolarHBondContact O-N 2.92Å; V78-W81 PolarHBondContact O-N 3.43Å; W81-E83 VanDerWaalsContact C-N 3.31Å; W81-E83 PolarHBondContact O-N 3.41Å; W81-A84 PolarHBondContact O-N 3.31Å; W81-T85 WeakPolarHBondContact O-CB 3.35Å; W81-T85 PolarHBondContact O-N 3.49Å; W81-T85 PolarHBondContact O-OG1 3.37Å; W81-A387 VanDerWaalsContact CD1-O 3.26Å; W81-A387 PolarHBondContact NE1-O 2.89Å; W81-S390 PolarHBondContact NE1-OG 3.23Å; W81-F391 HydrophobicContact CB-CD2 4.22Å; W81-F391 AromaticContact CD1-CD2 3.99Å; W81-F391 HydrophobicContact CG-CD2 4.1Å; W81-A463 HydrophobicContact CE3-CB 4.12Å; W81-A463 HydrophobicContact CH2-CB 4.17Å; W81-A463 HydrophobicContact CZ3-CB 3.51Å; W81-I467 HydrophobicContact CE3-CD1 4.26Å; W81-I467 HydrophobicContact CH2-CD1 3.09Å; W81-I467 HydrophobicContact CH2-CG1 3.95Å; W81-I467 HydrophobicContact CZ2-CD1 3.93Å; W81-I467 HydrophobicContact CZ3-CB 4.49Å; W81-I467 HydrophobicContact CZ3-CD1 3.26Å; W81-I467 HydrophobicContact CZ3-CG1 3.77Å
82R96.1Very high95.5Very high112 Ų11244.2 Ų44.242%0.42322%0.217SC..Hα-helixtrans-61-39.2174.8-74.6171.8172.2-170-6.5112.8V78 Q79 K86 E464V78-R82 WeakPolarHBondContact O-CG 3.36Å; V78-R82 PolarHBondContact O-N 2.93Å; Q79-R82 PolarHBondContact O-N 3.36Å; R82-K86 WeakPolarHBondContact O-CG 3.31Å; R82-K86 PolarHBondContact O-N 3.02Å; R82-E464 IonicContact CZ-OE1 3.93Å; R82-E464 IonicContact CZ-OE2 2.81Å; R82-E464 VanDerWaalsContact CZ-OE2 3.31Å; R82-E464 IonicContact NE-OE1 3.9Å; R82-E464 IonicContact NE-OE2 2.74Å; R82-E464 PolarHBondContact NE-OE2 3.47Å; R82-E464 VanDerWaalsContact NH2-CD 3.26Å; R82-E464 IonicContact NH2-OE1 3.55Å; R82-E464 PolarHBondContact NH2-OE1 3.05Å; R82-E464 IonicContact NH2-OE2 3.91Å; R82-E464 PolarHBondContact NH2-OE2 2.98Å; R82-E464 VanDerWaalsContact NH2-OE2 3.11Å
83E95.4Very high95.5Very high78 Ų7847.2 Ų47.236%0.36423%0.233SC..Hα-helixtrans-68.1-42174.3-70.8-177.4-17700111.5Q79 G80 W81 K86 L87 M388Q79-E83 PolarHBondContact O-N 2.9Å; Q79-E83 VanDerWaalsContact O-N 3.17Å; G80-E83 PolarHBondContact O-N 3.13Å; W81-E83 VanDerWaalsContact C-N 3.31Å; W81-E83 PolarHBondContact O-N 3.41Å; E83-K86 PolarHBondContact O-N 3.3Å; E83-L87 WeakPolarHBondContact O-CG 3.26Å; E83-L87 PolarHBondContact O-N 2.82Å; E83-L87 VanDerWaalsContact O-N 3.14Å; E83-M388 HydrophobicContact CB-CE 4.41Å; E83-M388 HydrophobicContact CB-SD 4.34Å
84A96.9Very high95.4Very high0 Ų045.1 Ų45.10%023%0.232CC..Hα-helixtrans-62.2-45.5175.900000112.5G80 W81 K86 L87 A88 V373 M388 F391G80-A84 WeakPolarHBondContact O-CB 3.44Å; G80-A84 PolarHBondContact O-N 2.95Å; W81-A84 PolarHBondContact O-N 3.31Å; A84-K86 VanDerWaalsContact C-N 3.32Å; A84-K86 PolarHBondContact O-N 2.96Å; A84-L87 PolarHBondContact O-N 3.19Å; A84-A88 WeakPolarHBondContact O-CB 3.43Å; A84-A88 PolarHBondContact O-N 3.25Å; A84-V373 HydrophobicContact CB-CG1 3.72Å; A84-V373 HydrophobicContact CB-CG2 4.17Å; A84-V373 WeakPolarHBondContact O-CG2 3.31Å; A84-M388 HydrophobicContact CB-CB 4.38Å; A84-M388 HydrophobicContact CB-CG 4.3Å; A84-F391 HydrophobicContact CB-CB 3.62Å; A84-F391 HydrophobicContact CB-CD1 3.77Å; A84-F391 HydrophobicContact CB-CD2 4.14Å; A84-F391 HydrophobicContact CB-CE1 4.48Å; A84-F391 HydrophobicContact CB-CG 3.57Å
85T96.7Very high95.1Very high19 Ų1943.3 Ų43.312%0.11722%0.22CC..Hα-helixtrans-55.8-46.5175.7-58.70000111W81 L87 A88 L89 V456 A460W81-T85 WeakPolarHBondContact O-CB 3.35Å; W81-T85 PolarHBondContact O-N 3.49Å; W81-T85 PolarHBondContact O-OG1 3.37Å; T85-L87 PolarHBondContact O-N 3.14Å; T85-A88 PolarHBondContact O-N 3.04Å; T85-L89 HydrophobicContact CG2-CD1 4.15Å; T85-L89 HydrophobicContact CG2-CG 4.44Å; T85-L89 VanDerWaalsContact O-CG 3.32Å; T85-L89 WeakPolarHBondContact O-CG 3.1Å; T85-L89 PolarHBondContact O-N 3.37Å; T85-V456 HydrophobicContact CG2-CG1 4.13Å; T85-A460 HydrophobicContact CG2-CB 4.14Å; T85-A460 VanDerWaalsContact OG1-CB 3.29Å; T85-A460 WeakPolarHBondContact OG1-CB 3.32Å
86K96.5Very high94.8Very high147 Ų14740.7 Ų40.764%0.63921%0.212SC*.Hα-helixtrans-60.3-44.7177.8-71.7174.5-176.7-178.90112.2R82 E83 A84 L89 V90R82-K86 WeakPolarHBondContact O-CG 3.31Å; R82-K86 PolarHBondContact O-N 3.02Å; E83-K86 PolarHBondContact O-N 3.3Å; A84-K86 VanDerWaalsContact C-N 3.32Å; A84-K86 PolarHBondContact O-N 2.96Å; K86-L89 PolarHBondContact O-N 2.67Å; K86-V90 VanDerWaalsContact O-CG2 3.28Å; K86-V90 WeakPolarHBondContact O-CG2 3.34Å; K86-V90 PolarHBondContact O-N 3.17Å
87L96Very high94.1Very high65 Ų6542.6 Ų42.634%0.3422%0.218SC..Hα-helixtrans-66.6-40178.3-69.6176.7000112.3E83 A84 T85 V90 A91 V373 M388E83-L87 WeakPolarHBondContact O-CG 3.26Å; E83-L87 PolarHBondContact O-N 2.82Å; E83-L87 VanDerWaalsContact O-N 3.14Å; A84-L87 PolarHBondContact O-N 3.19Å; T85-L87 PolarHBondContact O-N 3.14Å; L87-V90 PolarHBondContact O-N 3.33Å; L87-A91 WeakPolarHBondContact O-CB 3.45Å; L87-A91 PolarHBondContact O-N 3.25Å; L87-V373 HydrophobicContact CB-CG2 4.43Å; L87-M388 HydrophobicContact CD1-CE 3.44Å; L87-M388 VanDerWaalsContact CD1-CE 3.44Å
88A96.5Very high92.8Very high0 Ų047.7 Ų47.70%024%0.242CC..Hα-helixtrans-61.1-46.9175.600000111.3A84 T85 A91 L92 M369 V373 F391 V456A84-A88 WeakPolarHBondContact O-CB 3.43Å; A84-A88 PolarHBondContact O-N 3.25Å; T85-A88 PolarHBondContact O-N 3.04Å; A88-A91 WeakPolarHBondContact O-CB 3.3Å; A88-A91 PolarHBondContact O-N 2.64Å; A88-L92 PolarHBondContact O-N 2.89Å; A88-M369 HydrophobicContact CB-CB 3.97Å; A88-M369 HydrophobicContact CB-CG 4.19Å; A88-M369 HydrophobicContact CB-SD 4.12Å; A88-M369 WeakPolarHBondContact O-CG 3.16Å; A88-V373 HydrophobicContact CB-CG2 3.96Å; A88-F391 HydrophobicContact CB-CE1 4.29Å; A88-V456 HydrophobicContact CB-CG1 4.17Å
89L96.1Very high91.1Very high29 Ų2950 Ų5015%0.15226%0.258CS..Hα-helixtrans-64.5-40.9178-67179.5000112.3T85 K86 A91 L92 D93 V456T85-L89 HydrophobicContact CG2-CD1 4.15Å; T85-L89 HydrophobicContact CG2-CG 4.44Å; T85-L89 VanDerWaalsContact O-CG 3.32Å; T85-L89 WeakPolarHBondContact O-CG 3.1Å; T85-L89 PolarHBondContact O-N 3.37Å; K86-L89 PolarHBondContact O-N 2.67Å; L89-A91 VanDerWaalsContact C-N 3.31Å; L89-A91 PolarHBondContact O-N 3.22Å; L89-L92 WeakPolarHBondContact O-CB 3.28Å; L89-L92 PolarHBondContact O-N 3.42Å; L89-D93 PolarHBondContact O-N 3.22Å; L89-V456 HydrophobicContact CD2-CB 4.03Å; L89-V456 HydrophobicContact CD2-CG1 4.01Å; L89-V456 HydrophobicContact CG-CG1 4.33Å
90V96Very high89.4Confident96 Ų9652.7 Ų52.758%0.58227%0.274SS*.Hα-helixtrans-62.1-39.7174.2170.50000111.5K86 L87 D93 S94K86-V90 VanDerWaalsContact O-CG2 3.28Å; K86-V90 WeakPolarHBondContact O-CG2 3.34Å; K86-V90 PolarHBondContact O-N 3.17Å; L87-V90 PolarHBondContact O-N 3.33Å; V90-D93 PolarHBondContact O-N 3.2Å; V90-S94 PolarHBondContact O-N 3.24Å
91A94.6Very high87.8Confident6 Ų660 Ų605%0.0531%0.313CS..Hα-helixtrans-65.3-40.5175.600000111.7L87 A88 L89 S94 A95 W368 A372L87-A91 WeakPolarHBondContact O-CB 3.45Å; L87-A91 PolarHBondContact O-N 3.25Å; A88-A91 WeakPolarHBondContact O-CB 3.3Å; A88-A91 PolarHBondContact O-N 2.64Å; L89-A91 VanDerWaalsContact C-N 3.31Å; L89-A91 PolarHBondContact O-N 3.22Å; A91-S94 PolarHBondContact O-N 3.24Å; A91-S94 PolarHBondContact O-OG 2.84Å; A91-A95 PolarHBondContact O-N 3.29Å; A91-A95 VanDerWaalsContact O-N 3.07Å; A91-W368 PolarHBondContact O-NE1 3.34Å; A91-A372 HydrophobicContact CB-CB 3.48Å; A91-A372 VanDerWaalsContact CB-CB 3.48Å
92L94.5Very high86.4Confident0 Ų061.4 Ų61.40%032%0.32CS..Hα-helixtrans-62.4-47.3174.7-173.569.5000111.6A88 L89 S94 A95 A96 V359 M365 M369 Y449 K452 H453A88-L92 PolarHBondContact O-N 2.89Å; L89-L92 WeakPolarHBondContact O-CB 3.28Å; L89-L92 PolarHBondContact O-N 3.42Å; L92-S94 VanDerWaalsContact C-N 3.28Å; L92-S94 PolarHBondContact O-N 3.09Å; L92-A95 PolarHBondContact O-N 3.08Å; L92-A95 VanDerWaalsContact O-N 3.1Å; L92-A96 PolarHBondContact O-N 3.07Å; L92-V359 HydrophobicContact CD1-CG1 4Å; L92-M365 HydrophobicContact CD1-CB 4.1Å; L92-M365 HydrophobicContact CD1-CG 3.88Å; L92-M365 HydrophobicContact CD1-SD 4.31Å; L92-M369 HydrophobicContact CB-CG 4.43Å; L92-M369 HydrophobicContact CB-SD 4.02Å; L92-M369 HydrophobicContact CD1-SD 4.31Å; L92-Y449 HydrophobicContact CB-CE2 4.47Å; L92-Y449 HydrophobicContact CD2-CD2 4.23Å; L92-Y449 HydrophobicContact CD2-CE2 3.79Å; L92-Y449 HydrophobicContact CG-CD2 4.05Å; L92-Y449 HydrophobicContact CG-CE2 3.68Å; L92-K452 HydrophobicContact CD1-CB 3.81Å; L92-K452 HydrophobicContact CD1-CG 4.37Å; L92-K452 HydrophobicContact CD2-CB 3.74Å; L92-K452 HydrophobicContact CG-CB 4.43Å; L92-H453 HydrophobicContact CD2-CB 4.06Å
93D93.6Very high85.5Confident76 Ų7658.8 Ų58.841%0.40632%0.319SS..Hα-helixtrans-57.3-40.9175.2-85.3-44.5000111.7L89 V90 A95 A96 R357 Y449L89-D93 PolarHBondContact O-N 3.22Å; V90-D93 PolarHBondContact O-N 3.2Å; D93-A95 VanDerWaalsContact C-N 3.31Å; D93-A95 PolarHBondContact O-N 3.3Å; D93-A96 PolarHBondContact O-N 3.47Å; D93-R357 IonicContact OD1-NH1 2.73Å; D93-R357 PolarHBondContact OD1-NH1 3.36Å; D93-Y449 PolarHBondContact OD1-OH 3.11Å
94S92.1Very high84.8Confident78 Ų7862 Ų6255%0.54534%0.339SS..Hα-helixtrans-70.3-26.6178.176.50000113.8V90 A91 L92V90-S94 PolarHBondContact O-N 3.24Å; A91-S94 PolarHBondContact O-N 3.24Å; A91-S94 PolarHBondContact O-OG 2.84Å; L92-S94 VanDerWaalsContact C-N 3.28Å; L92-S94 PolarHBondContact O-N 3.09Å
95A89.2Confident84.3Confident3 Ų365.1 Ų65.13%0.02537%0.365CS..Hα-helixtrans-84.8-25.9178.700000112.2A91 L92 D93 H97 M365 K426A91-A95 PolarHBondContact O-N 3.29Å; A91-A95 VanDerWaalsContact O-N 3.07Å; L92-A95 PolarHBondContact O-N 3.08Å; L92-A95 VanDerWaalsContact O-N 3.1Å; D93-A95 VanDerWaalsContact C-N 3.31Å; D93-A95 PolarHBondContact O-N 3.3Å; A95-H97 PolarHBondContact O-N 3.17Å; A95-M365 HydrophobicContact CB-SD 3.68Å; A95-K426 HydrophobicContact CB-CD 4.27Å; A95-K426 PolarHBondContact O-NZ 3.29Å
96A87.6Confident83.7Confident21 Ų2169.1 Ų69.117%0.17438%0.382CS..  trans-56.7126.5-176.100000112.4L92 D93 V359 Y449L92-A96 PolarHBondContact O-N 3.07Å; D93-A96 PolarHBondContact O-N 3.47Å; A96-V359 HydrophobicContact CB-CG1 4.19Å; A96-Y449 HydrophobicContact CB-CD2 3.73Å; A96-Y449 HydrophobicContact CB-CE2 4.19Å
97H79.3Confident83.2Confident72 Ų7264.4 Ų64.433%0.33336%0.362SS..BIsolated β-bridgetrans-90.4112.2173.2-74.2-74.3000109.3A95 T358A95-H97 PolarHBondContact O-N 3.17Å; H97-T358 PolarHBondContact N-O 3.17Å; H97-T358 PolarHBondContact O-N 3.01Å; H97-T358 VanDerWaalsContact O-N 3.13Å; H97-T358 PolarHBondContact O-OG1 3.37Å
98Q69.6Low82.9Confident107 Ų10765 Ų6550%0.536%0.359SS..  trans-111.9114164.1-166.9174.9-2.800107R357Q98-R357 HydrophobicContact CB-CG 4.08Å; Q98-R357 HydrophobicContact CG-CG 4.2Å
99S60.2Low82.6Confident48 Ų4869.8 Ų69.834%0.33638%0.382SS..  trans-108.2115.2168.1-177.30000106.7D101 Q102S99-D101 VanDerWaalsContact C-N 3.28Å; S99-Q102 VanDerWaalsContact CB-CG 3.43Å; S99-Q102 WeakPolarHBondContact OG-CG 3.44Å
100L59.1Low82.3Confident144 Ų14471.1 Ų71.175%0.75439%0.385SS*.SBendtrans-79-16.6179.2-69.8163.3000111.9
101D60.5Low82.1Confident154 Ų15466.6 Ų66.682%0.82436%0.357SS*.SBendtrans-107.520.7-171.2-60.5-38.1000113.2S99S99-D101 VanDerWaalsContact C-N 3.28Å
102Q67.2Low82.1Confident34 Ų3466.5 Ų66.516%0.15936%0.356CS..  trans-70.1137.5-177.4-60.4-150.6-85.100112S99 E106 R110S99-Q102 VanDerWaalsContact CB-CG 3.43Å; S99-Q102 WeakPolarHBondContact OG-CG 3.44Å; Q102-E106 HydrophobicContact CB-CB 4.37Å; Q102-E106 PolarHBondContact NE2-OE2 3.05Å; Q102-R110 VanDerWaalsContact NE2-NH1 3.17Å; Q102-R110 VanDerWaalsContact OE1-CD 3.26Å; Q102-R110 VanDerWaalsContact OE1-CZ 3.28Å
103S78.1Confident82Confident57 Ų5767.2 Ų67.240%0.39936%0.361SS..  trans-65.2150.8163.268.20000110.3A105 E106 F107S103-A105 PolarHBondContact O-N 3.45Å; S103-E106 PolarHBondContact O-N 3.19Å; S103-E106 WeakPolarHBondContact OG-CG 3.45Å; S103-E106 PolarHBondContact OG-N 2.61Å; S103-F107 PolarHBondContact O-N 2.86Å
104D81.1Confident82Confident146 Ų14663.6 Ų63.678%0.78134%0.341SS*.Hα-helixtrans-53.2-31.5175.4-65.7-9.9000112.2R108D104-R108 VanDerWaalsContact O-CB 3.32Å; D104-R108 WeakPolarHBondContact O-CB 3.47Å; D104-R108 PolarHBondContact O-N 3.01Å
105A85.3Confident82Confident66 Ų6659.9 Ų59.955%0.54532%0.316SS..Hα-helixtrans-68-44.8176.700000112.5S103 R108 E109S103-A105 PolarHBondContact O-N 3.45Å; A105-R108 PolarHBondContact O-N 3.23Å; A105-E109 PolarHBondContact O-N 2.6Å
106E84.9Confident82.3Confident103 Ų10362.9 Ų62.948%0.48133%0.326SS..Hα-helixtrans-67-38.9176.4-72.9175.4-167.800112Q102 S103 R108 E109 R110Q102-E106 HydrophobicContact CB-CB 4.37Å; Q102-E106 PolarHBondContact NE2-OE2 3.05Å; S103-E106 PolarHBondContact O-N 3.19Å; S103-E106 WeakPolarHBondContact OG-CG 3.45Å; S103-E106 PolarHBondContact OG-N 2.61Å; E106-R108 VanDerWaalsContact C-N 3.33Å; E106-E109 PolarHBondContact O-N 3Å; E106-R110 WeakPolarHBondContact O-CG 3.32Å; E106-R110 PolarHBondContact O-N 3.01Å
107F86Confident82.5Confident48 Ų4862.7 Ų62.721%0.21132%0.323CS..Hα-helixtrans-63.6-42.3176-174.5-113.1000110.9S103 R110 L111 V353 P356S103-F107 PolarHBondContact O-N 2.86Å; F107-R110 WeakPolarHBondContact O-CB 3.43Å; F107-R110 PolarHBondContact O-N 3.33Å; F107-L111 HydrophobicContact CD1-CD1 4.04Å; F107-L111 HydrophobicContact CD1-CG 4.43Å; F107-L111 HydrophobicContact CE1-CD1 3.66Å; F107-L111 HydrophobicContact CE1-CD2 4.42Å; F107-L111 HydrophobicContact CE1-CG 4.12Å; F107-L111 HydrophobicContact CZ-CD1 4.19Å; F107-L111 HydrophobicContact CZ-CD2 4.11Å; F107-L111 HydrophobicContact CZ-CG 4.23Å; F107-L111 WeakPolarHBondContact O-CG 3.32Å; F107-L111 PolarHBondContact O-N 3.38Å; F107-V353 HydrophobicContact CE1-CG2 4.38Å; F107-V353 HydrophobicContact CZ-CG2 4.4Å; F107-P356 HydrophobicContact CE2-CB 3.94Å
108R90Very high83.1Confident77 Ų7759.6 Ų59.629%0.29131%0.309SS..Hα-helixtrans-60.1-45.3174-178.7-177.9173.191.57.3112.5D104 A105 E106 R110 L111 L112 V136 N137 L140D104-R108 VanDerWaalsContact O-CB 3.32Å; D104-R108 WeakPolarHBondContact O-CB 3.47Å; D104-R108 PolarHBondContact O-N 3.01Å; A105-R108 PolarHBondContact O-N 3.23Å; E106-R108 VanDerWaalsContact C-N 3.33Å; R108-R110 VanDerWaalsContact C-N 3.3Å; R108-R110 PolarHBondContact O-N 3.08Å; R108-L111 PolarHBondContact O-N 3.09Å; R108-L112 HydrophobicContact CG-CD1 4.43Å; R108-L112 WeakPolarHBondContact O-CG 3.47Å; R108-L112 PolarHBondContact O-N 3.47Å; R108-V136 HydrophobicContact CG-CG1 4.19Å; R108-N137 VanDerWaalsContact CZ-OD1 3.29Å; R108-N137 PolarHBondContact NH1-OD1 2.94Å; R108-N137 PolarHBondContact NH2-OD1 3.19Å; R108-L140 HydrophobicContact CG-CD1 4.38Å
109E90.4Very high84.2Confident100 Ų10054.5 Ų54.547%0.46729%0.285SS..Hα-helixtrans-63.7-34.9176.9-75.3-58.1139.500112.5A105 E106 L112 S113A105-E109 PolarHBondContact O-N 2.6Å; E106-E109 PolarHBondContact O-N 3Å; E109-L112 PolarHBondContact O-N 3.38Å; E109-S113 WeakPolarHBondContact O-CB 3.12Å; E109-S113 PolarHBondContact O-N 3.21Å; E109-S113 PolarHBondContact O-OG 2.9Å
110R89.1Confident85.5Confident58 Ų5855 Ų5522%0.21929%0.289CS..Hα-helixtrans-64.7-45.6172-75.5-178.3176.6-176.6-1.1112.2Q102 E106 F107 R108 L112 S113 I114Q102-R110 VanDerWaalsContact NE2-NH1 3.17Å; Q102-R110 VanDerWaalsContact OE1-CD 3.26Å; Q102-R110 VanDerWaalsContact OE1-CZ 3.28Å; E106-R110 WeakPolarHBondContact O-CG 3.32Å; E106-R110 PolarHBondContact O-N 3.01Å; F107-R110 WeakPolarHBondContact O-CB 3.43Å; F107-R110 PolarHBondContact O-N 3.33Å; R108-R110 VanDerWaalsContact C-N 3.3Å; R108-R110 PolarHBondContact O-N 3.08Å; R110-L112 VanDerWaalsContact C-N 3.29Å; R110-L112 PolarHBondContact O-N 3.34Å; R110-S113 WeakPolarHBondContact O-CB 3.11Å; R110-S113 PolarHBondContact O-N 2.78Å; R110-S113 VanDerWaalsContact O-N 3.14Å; R110-I114 WeakPolarHBondContact O-CG1 3.35Å; R110-I114 PolarHBondContact O-N 2.95Å
111L92.2Very high86.7Confident0 Ų051.3 Ų51.30%028%0.275CS..Hα-helixtrans-59.3-41.7174.4-69.1180000111.4F107 R108 S113 I114 A115 V136 L140 L349 T352 V353F107-L111 HydrophobicContact CD1-CD1 4.04Å; F107-L111 HydrophobicContact CD1-CG 4.43Å; F107-L111 HydrophobicContact CE1-CD1 3.66Å; F107-L111 HydrophobicContact CE1-CD2 4.42Å; F107-L111 HydrophobicContact CE1-CG 4.12Å; F107-L111 HydrophobicContact CZ-CD1 4.19Å; F107-L111 HydrophobicContact CZ-CD2 4.11Å; F107-L111 HydrophobicContact CZ-CG 4.23Å; F107-L111 WeakPolarHBondContact O-CG 3.32Å; F107-L111 PolarHBondContact O-N 3.38Å; R108-L111 PolarHBondContact O-N 3.09Å; L111-S113 VanDerWaalsContact C-N 3.32Å; L111-S113 PolarHBondContact O-N 3.47Å; L111-I114 PolarHBondContact O-N 3.26Å; L111-A115 WeakPolarHBondContact O-CB 3.43Å; L111-A115 PolarHBondContact O-N 3.33Å; L111-V136 HydrophobicContact CB-CG1 4.09Å; L111-V136 HydrophobicContact CB-CG2 3.88Å; L111-V136 HydrophobicContact CD1-CG1 4.39Å; L111-L140 HydrophobicContact CD1-CD2 3.98Å; L111-L140 HydrophobicContact CD1-CG 4.4Å; L111-L349 HydrophobicContact CB-CD2 3.85Å; L111-L349 HydrophobicContact CD2-CD2 3.78Å; L111-L349 HydrophobicContact CG-CD2 4.36Å; L111-L349 WeakPolarHBondContact O-CD2 3.4Å; L111-T352 HydrophobicContact CD2-CG2 3.79Å; L111-V353 HydrophobicContact CD1-CG2 4.34Å; L111-V353 HydrophobicContact CD2-CG2 4.47Å
112L93.6Very high87.8Confident4 Ų444.7 Ų44.72%0.02124%0.239CC..Hα-helixtrans-61.7-41174.8-73.6170.4000112R108 E109 R110 A115 R116 A132 N133 V136R108-L112 HydrophobicContact CG-CD1 4.43Å; R108-L112 WeakPolarHBondContact O-CG 3.47Å; R108-L112 PolarHBondContact O-N 3.47Å; E109-L112 PolarHBondContact O-N 3.38Å; R110-L112 VanDerWaalsContact C-N 3.29Å; R110-L112 PolarHBondContact O-N 3.34Å; L112-A115 PolarHBondContact O-N 3.42Å; L112-R116 WeakPolarHBondContact O-CB 3.42Å; L112-R116 WeakPolarHBondContact O-CG 3.5Å; L112-R116 PolarHBondContact O-N 2.96Å; L112-A132 HydrophobicContact CD2-CB 4.36Å; L112-N133 WeakPolarHBondContact CD2-OD1 3.36Å; L112-V136 HydrophobicContact CD2-CB 4Å; L112-V136 HydrophobicContact CD2-CG1 4.43Å; L112-V136 HydrophobicContact CD2-CG2 3.75Å; L112-V136 HydrophobicContact CG-CB 4.49Å; L112-V136 HydrophobicContact CG-CG1 4.45Å; L112-V136 HydrophobicContact CG-CG2 4.11Å
113S92.7Very high88.6Confident15 Ų1546.3 Ų46.311%0.10525%0.249CC..Hα-helixtrans-63.6-41.4177.6-59.10000112.1E109 R110 L111 R116 T117 G444E109-S113 WeakPolarHBondContact O-CB 3.12Å; E109-S113 PolarHBondContact O-N 3.21Å; E109-S113 PolarHBondContact O-OG 2.9Å; R110-S113 WeakPolarHBondContact O-CB 3.11Å; R110-S113 PolarHBondContact O-N 2.78Å; R110-S113 VanDerWaalsContact O-N 3.14Å; L111-S113 VanDerWaalsContact C-N 3.32Å; L111-S113 PolarHBondContact O-N 3.47Å; S113-R116 PolarHBondContact O-N 2.8Å; S113-T117 WeakPolarHBondContact O-CB 3.32Å; S113-T117 PolarHBondContact O-N 3.05Å; S113-T117 PolarHBondContact O-OG1 3.31Å; S113-G444 WeakPolarHBondContact CB-O 3.48Å
114I93.1Very high88.8Confident0 Ų043.7 Ų43.70%023%0.23CC..Hα-helixtrans-63.9-49.1174.6-66.2166.2000110.9R110 L111 R116 T117 T118 V348 L349 T352 T358 I446R110-I114 WeakPolarHBondContact O-CG1 3.35Å; R110-I114 PolarHBondContact O-N 2.95Å; L111-I114 PolarHBondContact O-N 3.26Å; I114-R116 VanDerWaalsContact C-N 3.34Å; I114-R116 PolarHBondContact O-N 3.24Å; I114-T117 PolarHBondContact O-N 3.3Å; I114-T117 VanDerWaalsContact O-N 3.1Å; I114-T118 PolarHBondContact O-N 2.9Å; I114-T118 PolarHBondContact O-OG1 3.48Å; I114-V348 HydrophobicContact CG2-CG1 3.45Å; I114-V348 VanDerWaalsContact CG2-CG1 3.45Å; I114-L349 HydrophobicContact CG2-CD2 4.47Å; I114-T352 HydrophobicContact CD1-CG2 3.64Å; I114-T358 HydrophobicContact CD1-CG2 3.8Å; I114-I446 WeakPolarHBondContact CA-O 3.34Å; I114-I446 HydrophobicContact CD1-CG2 4.48Å; I114-I446 HydrophobicContact CG1-CB 4.32Å; I114-I446 HydrophobicContact CG1-CG2 3.98Å
115A93.9Very high88.9Confident1 Ų139.3 Ų39.31%0.00821%0.208CC..Hα-helixtrans-60.3-42.7178.300000112.3L111 L112 T117 L119 A132 V136 L349L111-A115 WeakPolarHBondContact O-CB 3.43Å; L111-A115 PolarHBondContact O-N 3.33Å; L112-A115 PolarHBondContact O-N 3.42Å; A115-T117 VanDerWaalsContact C-N 3.28Å; A115-T117 PolarHBondContact O-N 3.42Å; A115-L119 VanDerWaalsContact O-CB 3.3Å; A115-L119 WeakPolarHBondContact O-CB 3.43Å; A115-L119 WeakPolarHBondContact O-CD1 3.43Å; A115-L119 WeakPolarHBondContact O-CG 3.48Å; A115-L119 PolarHBondContact O-N 2.95Å; A115-A132 HydrophobicContact CB-CB 3.78Å; A115-V136 HydrophobicContact CB-CG2 4.26Å; A115-L349 HydrophobicContact CB-CD1 4.15Å; A115-L349 HydrophobicContact CB-CD2 4.33Å
116R93.8Very high88.9Confident65 Ų6544.3 Ų44.325%0.24522%0.221CC..Hα-helixtrans-59.3-40.2174.7-76168.1179.3145.53.2111.8L112 S113 I114 S120 E129 A132L112-R116 WeakPolarHBondContact O-CB 3.42Å; L112-R116 WeakPolarHBondContact O-CG 3.5Å; L112-R116 PolarHBondContact O-N 2.96Å; S113-R116 PolarHBondContact O-N 2.8Å; I114-R116 VanDerWaalsContact C-N 3.34Å; I114-R116 PolarHBondContact O-N 3.24Å; R116-S120 PolarHBondContact O-N 2.78Å; R116-E129 WeakPolarHBondContact CD-OE1 3.27Å; R116-E129 IonicContact CZ-OE1 3.73Å; R116-E129 IonicContact CZ-OE2 3.32Å; R116-E129 VanDerWaalsContact CZ-OE2 3.22Å; R116-E129 IonicContact NE-OE1 2.69Å; R116-E129 PolarHBondContact NE-OE1 3.5Å; R116-E129 IonicContact NE-OE2 2.76Å; R116-E129 PolarHBondContact NE-OE2 3.44Å; R116-E129 IonicContact NH2-OE1 3.06Å; R116-E129 IonicContact NH2-OE2 2.66Å; R116-E129 PolarHBondContact NH2-OE2 2.86Å; R116-A132 HydrophobicContact CG-CB 3.98Å
117T92.8Very high89.1Confident18 Ų1842.4 Ų42.411%0.1121%0.212CC..Hα-helixtrans-69.5-51.4-178.9-57.60000110.7S113 I114 A115 L119 S120 I445 I446 E447S113-T117 WeakPolarHBondContact O-CB 3.32Å; S113-T117 PolarHBondContact O-N 3.05Å; S113-T117 PolarHBondContact O-OG1 3.31Å; I114-T117 PolarHBondContact O-N 3.3Å; I114-T117 VanDerWaalsContact O-N 3.1Å; A115-T117 VanDerWaalsContact C-N 3.28Å; A115-T117 PolarHBondContact O-N 3.42Å; T117-L119 VanDerWaalsContact C-N 3.29Å; T117-L119 PolarHBondContact O-N 2.88Å; T117-S120 WeakPolarHBondContact O-CB 3.2Å; T117-S120 PolarHBondContact O-N 3.22Å; T117-S120 VanDerWaalsContact O-N 3.14Å; T117-S120 PolarHBondContact O-OG 3.36Å; T117-I445 HydrophobicContact CG2-CG2 3.83Å; T117-I446 PolarHBondContact OG1-N 3.33Å; T117-I446 PolarHBondContact OG1-O 2.98Å; T117-E447 HydrophobicContact CG2-CG 3.82Å
118T92.4Very high89.3Confident6 Ų644 Ų444%0.03722%0.218CC..Hα-helixtrans-60.8-34.1177.9-64.70000113D48 I114 S120 K122 D344 A345D48-T118 HydrophobicContact CB-CG2 4.48Å; D48-T118 WeakPolarHBondContact OD2-CG2 3.48Å; D48-T118 PolarHBondContact OD2-OG1 2.83Å; I114-T118 PolarHBondContact O-N 2.9Å; I114-T118 PolarHBondContact O-OG1 3.48Å; T118-S120 VanDerWaalsContact C-N 3.35Å; T118-K122 VanDerWaalsContact O-CE 3.32Å; T118-K122 WeakPolarHBondContact O-CE 3.29Å; T118-D344 HydrophobicContact CG2-CB 4.46Å; T118-A345 HydrophobicContact CG2-CB 4.4Å
119L91.5Very high89.4Confident0 Ų044.1 Ų44.10%022%0.222CC..Hα-helixtrans-80.2-12.6179.9-68.2172.8000114.1A115 T117 S121 K122 L124 T125 K128 F131 A132 S341 A345A115-L119 VanDerWaalsContact O-CB 3.3Å; A115-L119 WeakPolarHBondContact O-CB 3.43Å; A115-L119 WeakPolarHBondContact O-CD1 3.43Å; A115-L119 WeakPolarHBondContact O-CG 3.48Å; A115-L119 PolarHBondContact O-N 2.95Å; T117-L119 VanDerWaalsContact C-N 3.29Å; T117-L119 PolarHBondContact O-N 2.88Å; L119-S121 VanDerWaalsContact C-N 3.3Å; L119-S121 PolarHBondContact O-N 2.73Å; L119-K122 PolarHBondContact O-N 2.86Å; L119-L124 HydrophobicContact CD2-CB 4.35Å; L119-L124 HydrophobicContact CD2-CD1 3.98Å; L119-T125 PolarHBondContact O-OG1 3.1Å; L119-K128 HydrophobicContact CB-CB 4.43Å; L119-F131 HydrophobicContact CD1-CB 3.75Å; L119-A132 HydrophobicContact CD1-CB 4.4Å; L119-S341 WeakPolarHBondContact CD2-O 3.49Å; L119-A345 HydrophobicContact CD2-CB 4.04Å; L119-A345 HydrophobicContact CG-CB 4.18Å
120S87.8Confident89.5Confident60 Ų6042.5 Ų42.542%0.4222%0.215SC..THydrogen-bonded Turntrans-71.7-15.8-170.268.50000115.7R116 T117 T118 T125R116-S120 PolarHBondContact O-N 2.78Å; T117-S120 WeakPolarHBondContact O-CB 3.2Å; T117-S120 PolarHBondContact O-N 3.22Å; T117-S120 VanDerWaalsContact O-N 3.14Å; T117-S120 PolarHBondContact O-OG 3.36Å; T118-S120 VanDerWaalsContact C-N 3.35Å; S120-T125 PolarHBondContact O-OG1 3.14Å
121S83.9Confident89.7Confident65 Ų6539.8 Ų39.846%0.45520%0.204SC..THydrogen-bonded Turntrans-95.9-7178.659.20000113.5N16 L119N16-S121 PolarHBondContact ND2-O 2.89Å; L119-S121 VanDerWaalsContact C-N 3.3Å; L119-S121 PolarHBondContact O-N 2.73Å
122K84.6Confident89.8Confident16 Ų1639.8 Ų39.87%0.0720%0.204CC..SBendtrans-109.2173.4-165.4-52.8-175.4-170.1172.30112.1T118 L119 L124 T125 S341 D344T118-K122 VanDerWaalsContact O-CE 3.32Å; T118-K122 WeakPolarHBondContact O-CE 3.29Å; L119-K122 PolarHBondContact O-N 2.86Å; K122-L124 PolarHBondContact O-N 2.95Å; K122-T125 PolarHBondContact N-OG1 3.04Å; K122-T125 WeakPolarHBondContact O-CB 3.29Å; K122-T125 PolarHBondContact O-N 2.87Å; K122-T125 PolarHBondContact O-OG1 3.4Å; K122-S341 WeakPolarHBondContact CB-OG 3.38Å; K122-S341 WeakPolarHBondContact CD-OG 3.46Å; K122-D344 VanDerWaalsContact NZ-CG 3.27Å; K122-D344 IonicContact NZ-OD2 3.78Å; K122-D344 PolarHBondContact NZ-OD2 3.28Å
123L82.8Confident89.9Confident68 Ų6842.3 Ų42.336%0.35622%0.218SC..G310 helixtrans-55.3-29.1177.5-171.469.2000112.8T125 I334 E337L123-T125 PolarHBondContact O-N 3.08Å; L123-I334 HydrophobicContact CD2-CB 4.08Å; L123-I334 HydrophobicContact CD2-CG1 3.9Å; L123-I334 HydrophobicContact CD2-CG2 3.73Å; L123-E337 HydrophobicContact CB-CG 4.22Å
124L82.8Confident90Very high1 Ų142.2 Ų42.21%0.00522%0.216CC..G310 helixtrans-72.8-2.7179.8-59-173.9000114.5L119 K122 Q126 H127 K128 F131 M161 A338L119-L124 HydrophobicContact CD2-CB 4.35Å; L119-L124 HydrophobicContact CD2-CD1 3.98Å; K122-L124 PolarHBondContact O-N 2.95Å; L124-Q126 VanDerWaalsContact C-N 3.26Å; L124-Q126 PolarHBondContact O-N 3.48Å; L124-Q126 VanDerWaalsContact O-N 3.17Å; L124-H127 CarbonylContact O-C 3.51Å; L124-H127 VanDerWaalsContact O-C 3.26Å; L124-H127 PolarHBondContact O-N 3.4Å; L124-K128 PolarHBondContact O-N 2.88Å; L124-F131 HydrophobicContact CB-CD2 4.22Å; L124-F131 HydrophobicContact CD1-CB 4.3Å; L124-F131 HydrophobicContact CD1-CD1 3.92Å; L124-F131 HydrophobicContact CD1-CD2 4.17Å; L124-F131 HydrophobicContact CD1-CE1 4.3Å; L124-F131 HydrophobicContact CD1-CG 3.85Å; L124-F131 HydrophobicContact CD2-CD2 3.93Å; L124-F131 HydrophobicContact CD2-CE1 4.35Å; L124-F131 HydrophobicContact CD2-CE2 3.65Å; L124-F131 HydrophobicContact CD2-CG 4.41Å; L124-F131 HydrophobicContact CD2-CZ 3.88Å; L124-F131 HydrophobicContact CG-CD2 4.33Å; L124-M161 HydrophobicContact CD2-CE 3.73Å; L124-A338 HydrophobicContact CD2-CB 3.86Å
125T83.6Confident90Very high54 Ų5442.2 Ų42.233%0.33122%0.216SC..G310 helixtrans-53.4-39.7-176.9-59.80000113.2L119 S120 K122 L123 H127 K128L119-T125 PolarHBondContact O-OG1 3.1Å; S120-T125 PolarHBondContact O-OG1 3.14Å; K122-T125 PolarHBondContact N-OG1 3.04Å; K122-T125 WeakPolarHBondContact O-CB 3.29Å; K122-T125 PolarHBondContact O-N 2.87Å; K122-T125 PolarHBondContact O-OG1 3.4Å; L123-T125 PolarHBondContact O-N 3.08Å; T125-H127 PolarHBondContact O-N 3.24Å; T125-K128 WeakPolarHBondContact O-CB 3.25Å; T125-K128 WeakPolarHBondContact O-CG 3.46Å; T125-K128 PolarHBondContact O-N 3.18Å
126Q85.9Confident90Very high172 Ų17242.2 Ų42.280%0.80422%0.216SC*.G310 helixtrans-64.4-25.2179.6-65.4-175.7-3.700113.2L124L124-Q126 VanDerWaalsContact C-N 3.26Å; L124-Q126 PolarHBondContact O-N 3.48Å; L124-Q126 VanDerWaalsContact O-N 3.17Å
127H88.6Confident89.9Confident63 Ų6341.6 Ų41.629%0.29222%0.218SC..G310 helixtrans-122.327.2-178.5-56.1-56.6000111.5L124 T125 E129 H130 F131 T162L124-H127 CarbonylContact O-C 3.51Å; L124-H127 VanDerWaalsContact O-C 3.26Å; L124-H127 PolarHBondContact O-N 3.4Å; T125-H127 PolarHBondContact O-N 3.24Å; H127-E129 PolarHBondContact O-N 3.3Å; H127-H130 WeakPolarHBondContact O-CB 3.4Å; H127-H130 PolarHBondContact O-N 3.16Å; H127-F131 HydrophobicContact CB-CD2 3.95Å; H127-F131 HydrophobicContact CB-CE2 4.02Å; H127-F131 WeakPolarHBondContact O-CD2 3.4Å; H127-F131 PolarHBondContact O-N 2.82Å; H127-F131 VanDerWaalsContact O-N 3.16Å; H127-T162 WeakPolarHBondContact ND1-CG2 3.36Å
128K89.3Confident89.9Confident80 Ų8040.8 Ų40.835%0.34821%0.212SC..Hα-helixtrans-56.3-36.7-173.367.1-178.3-175.9176.90113.1L119 L124 T125 H130 A132L119-K128 HydrophobicContact CB-CB 4.43Å; L124-K128 PolarHBondContact O-N 2.88Å; T125-K128 WeakPolarHBondContact O-CB 3.25Å; T125-K128 WeakPolarHBondContact O-CG 3.46Å; T125-K128 PolarHBondContact O-N 3.18Å; K128-H130 VanDerWaalsContact C-N 3.34Å; K128-H130 PolarHBondContact O-N 2.93Å; K128-A132 WeakPolarHBondContact O-CB 3.43Å; K128-A132 PolarHBondContact O-N 3.03Å
129E92.2Very high89.9Confident80 Ų8040.7 Ų40.737%0.37421%0.212SC..Hα-helixtrans-62.6-41.7177.7-68.6-55.7138.200112.3R116 H127 N133R116-E129 WeakPolarHBondContact CD-OE1 3.27Å; R116-E129 IonicContact CZ-OE1 3.73Å; R116-E129 IonicContact CZ-OE2 3.32Å; R116-E129 VanDerWaalsContact CZ-OE2 3.22Å; R116-E129 IonicContact NE-OE1 2.69Å; R116-E129 PolarHBondContact NE-OE1 3.5Å; R116-E129 IonicContact NE-OE2 2.76Å; R116-E129 PolarHBondContact NE-OE2 3.44Å; R116-E129 IonicContact NH2-OE1 3.06Å; R116-E129 IonicContact NH2-OE2 2.66Å; R116-E129 PolarHBondContact NH2-OE2 2.86Å; H127-E129 PolarHBondContact O-N 3.3Å; E129-N133 PolarHBondContact O-N 2.85Å; E129-N133 PolarHBondContact O-ND2 3.18Å
130H93.3Very high89.7Confident67 Ų6744 Ų4431%0.3123%0.229SC..Hα-helixtrans-66.6-52.3179.6-175.365.2000110.7H127 K128 A132 N133 L134 T162 S164H127-H130 WeakPolarHBondContact O-CB 3.4Å; H127-H130 PolarHBondContact O-N 3.16Å; K128-H130 VanDerWaalsContact C-N 3.34Å; K128-H130 PolarHBondContact O-N 2.93Å; H130-A132 PolarHBondContact O-N 2.98Å; H130-N133 PolarHBondContact O-N 2.65Å; H130-L134 WeakPolarHBondContact O-CG 3.46Å; H130-L134 PolarHBondContact O-N 2.91Å; H130-T162 PolarHBondContact NE2-O 3.37Å; H130-S164 PolarHBondContact CE1-O 3.14Å; H130-S164 PolarHBondContact NE2-O 3.32Å
131F94Very high89.6Confident0 Ų044.5 Ų44.50%022%0.222CC..Hα-helixtrans-68.6-33.2-179.1-76-78.1000113.4L119 L124 H127 L134 A135 M161 L327L119-F131 HydrophobicContact CD1-CB 3.75Å; L124-F131 HydrophobicContact CB-CD2 4.22Å; L124-F131 HydrophobicContact CD1-CB 4.3Å; L124-F131 HydrophobicContact CD1-CD1 3.92Å; L124-F131 HydrophobicContact CD1-CD2 4.17Å; L124-F131 HydrophobicContact CD1-CE1 4.3Å; L124-F131 HydrophobicContact CD1-CG 3.85Å; L124-F131 HydrophobicContact CD2-CD2 3.93Å; L124-F131 HydrophobicContact CD2-CE1 4.35Å; L124-F131 HydrophobicContact CD2-CE2 3.65Å; L124-F131 HydrophobicContact CD2-CG 4.41Å; L124-F131 HydrophobicContact CD2-CZ 3.88Å; L124-F131 HydrophobicContact CG-CD2 4.33Å; H127-F131 HydrophobicContact CB-CD2 3.95Å; H127-F131 HydrophobicContact CB-CE2 4.02Å; H127-F131 WeakPolarHBondContact O-CD2 3.4Å; H127-F131 PolarHBondContact O-N 2.82Å; H127-F131 VanDerWaalsContact O-N 3.16Å; F131-L134 HydrophobicContact CD1-CD1 4.19Å; F131-L134 HydrophobicContact CE1-CD1 4.38Å; F131-L134 PolarHBondContact O-N 2.86Å; F131-A135 WeakPolarHBondContact O-CB 3.47Å; F131-A135 PolarHBondContact O-N 3.29Å; F131-M161 HydrophobicContact CE2-CB 4.29Å; F131-M161 HydrophobicContact CZ-CB 4.44Å; F131-M161 HydrophobicContact CZ-CE 3.97Å; F131-L327 HydrophobicContact CE1-CD2 3.66Å; F131-L327 HydrophobicContact CZ-CD2 4.46Å
132A94Very high89.6Confident0 Ų041.6 Ų41.60%020%0.201CC..Hα-helixtrans-61.8-45.6173.100000111.1L112 A115 R116 L119 K128 H130 L134 A135 V136L112-A132 HydrophobicContact CD2-CB 4.36Å; A115-A132 HydrophobicContact CB-CB 3.78Å; R116-A132 HydrophobicContact CG-CB 3.98Å; L119-A132 HydrophobicContact CD1-CB 4.4Å; K128-A132 WeakPolarHBondContact O-CB 3.43Å; K128-A132 PolarHBondContact O-N 3.03Å; H130-A132 PolarHBondContact O-N 2.98Å; A132-L134 PolarHBondContact O-N 3.34Å; A132-A135 PolarHBondContact O-N 2.66Å; A132-V136 WeakPolarHBondContact O-CB 3.3Å; A132-V136 WeakPolarHBondContact O-CG2 2.78Å; A132-V136 PolarHBondContact O-N 2.77Å
133N94.7Very high89.3Confident57 Ų5747.4 Ų47.431%0.30523%0.227SC..Hα-helixtrans-63-41.8175.7-81.1-64.6000112.3L112 E129 H130 N137L112-N133 WeakPolarHBondContact CD2-OD1 3.36Å; E129-N133 PolarHBondContact O-N 2.85Å; E129-N133 PolarHBondContact O-ND2 3.18Å; H130-N133 PolarHBondContact O-N 2.65Å; N133-N137 VanDerWaalsContact O-CB 3.25Å; N133-N137 WeakPolarHBondContact O-CB 3.5Å; N133-N137 PolarHBondContact O-N 3.38Å; N133-N137 PolarHBondContact O-ND2 3.3Å; N133-N137 VanDerWaalsContact O-ND2 3.13Å
134L94.3Very high88.9Confident14 Ų1446.4 Ų46.47%0.07323%0.233CC..Hα-helixtrans-60.6-48.7175.8-69179.5000111.9H130 F131 A132 N137 A138 L166H130-L134 WeakPolarHBondContact O-CG 3.46Å; H130-L134 PolarHBondContact O-N 2.91Å; F131-L134 HydrophobicContact CD1-CD1 4.19Å; F131-L134 HydrophobicContact CE1-CD1 4.38Å; F131-L134 PolarHBondContact O-N 2.86Å; A132-L134 PolarHBondContact O-N 3.34Å; L134-N137 PolarHBondContact O-N 3.22Å; L134-A138 WeakPolarHBondContact O-CB 3.47Å; L134-A138 PolarHBondContact O-N 2.93Å; L134-L166 HydrophobicContact CD2-CB 3.69Å; L134-L166 VanDerWaalsContact CD2-N 3.34Å
135A93.8Very high88.5Confident0 Ų049.5 Ų49.50%026%0.255CS..Hα-helixtrans-62.9-46.9-178.900000111.8F131 A132 A138 V139 L342 A345 L346 L349F131-A135 WeakPolarHBondContact O-CB 3.47Å; F131-A135 PolarHBondContact O-N 3.29Å; A132-A135 PolarHBondContact O-N 2.66Å; A135-A138 PolarHBondContact O-N 3.48Å; A135-V139 WeakPolarHBondContact O-CG2 3.43Å; A135-V139 PolarHBondContact O-N 3.41Å; A135-L342 HydrophobicContact CB-CD1 3.88Å; A135-A345 HydrophobicContact CB-CB 4.44Å; A135-L346 HydrophobicContact CB-CD2 4.04Å; A135-L349 HydrophobicContact CB-CD1 3.67Å
136V93.3Very high88Confident0 Ų047.8 Ų47.80%025%0.247CC..Hα-helixtrans-64.5-43.4178.5173.20000111.5R108 L111 L112 A115 A132 A138 V139 L140 L349R108-V136 HydrophobicContact CG-CG1 4.19Å; L111-V136 HydrophobicContact CB-CG1 4.09Å; L111-V136 HydrophobicContact CB-CG2 3.88Å; L111-V136 HydrophobicContact CD1-CG1 4.39Å; L112-V136 HydrophobicContact CD2-CB 4Å; L112-V136 HydrophobicContact CD2-CG1 4.43Å; L112-V136 HydrophobicContact CD2-CG2 3.75Å; L112-V136 HydrophobicContact CG-CB 4.49Å; L112-V136 HydrophobicContact CG-CG1 4.45Å; L112-V136 HydrophobicContact CG-CG2 4.11Å; A115-V136 HydrophobicContact CB-CG2 4.26Å; A132-V136 WeakPolarHBondContact O-CB 3.3Å; A132-V136 WeakPolarHBondContact O-CG2 2.78Å; A132-V136 PolarHBondContact O-N 2.77Å; V136-A138 VanDerWaalsContact C-N 3.31Å; V136-A138 PolarHBondContact O-N 2.95Å; V136-V139 PolarHBondContact O-N 3.24Å; V136-L140 HydrophobicContact CG1-CD1 3.74Å; V136-L140 HydrophobicContact CG1-CG 4.24Å; V136-L140 WeakPolarHBondContact O-CB 3.4Å; V136-L140 VanDerWaalsContact O-CG 3.27Å; V136-L140 WeakPolarHBondContact O-CG 3.37Å; V136-L140 PolarHBondContact O-N 2.88Å; V136-L349 HydrophobicContact CG2-CD1 3.92Å; V136-L349 HydrophobicContact CG2-CD2 4.13Å
137N92.6Very high87.9Confident53 Ų5343 Ų4328%0.28323%0.228SC..Hα-helixtrans-62.9-38.9176.5-73-24000112R108 N133 L134 R141 L166R108-N137 VanDerWaalsContact CZ-OD1 3.29Å; R108-N137 PolarHBondContact NH1-OD1 2.94Å; R108-N137 PolarHBondContact NH2-OD1 3.19Å; N133-N137 VanDerWaalsContact O-CB 3.25Å; N133-N137 WeakPolarHBondContact O-CB 3.5Å; N133-N137 PolarHBondContact O-N 3.38Å; N133-N137 PolarHBondContact O-ND2 3.3Å; N133-N137 VanDerWaalsContact O-ND2 3.13Å; L134-N137 PolarHBondContact O-N 3.22Å; N137-R141 WeakPolarHBondContact O-CG 3.15Å; N137-R141 PolarHBondContact O-N 3.32Å; N137-L166 HydrophobicContact CB-CD2 3.6Å
138A92.9Very high87.8Confident0 Ų041.9 Ų41.90%022%0.223CC..Hα-helixtrans-66.2-46.1177.800000112L134 A135 V136 R141 I151 L166 I325 L346L134-A138 WeakPolarHBondContact O-CB 3.47Å; L134-A138 PolarHBondContact O-N 2.93Å; A135-A138 PolarHBondContact O-N 3.48Å; V136-A138 VanDerWaalsContact C-N 3.31Å; V136-A138 PolarHBondContact O-N 2.95Å; A138-R141 WeakPolarHBondContact O-CB 3.47Å; A138-R141 PolarHBondContact O-N 3.14Å; A138-I151 HydrophobicContact CB-CD1 3.99Å; A138-L166 HydrophobicContact CB-CD1 4.14Å; A138-L166 HydrophobicContact CB-CD2 4.35Å; A138-I325 HydrophobicContact CB-CD1 3.85Å; A138-I325 HydrophobicContact CB-CG1 4.49Å; A138-L346 HydrophobicContact CB-CD2 4.16Å
139V91.4Very high87.7Confident5 Ų542.8 Ų42.83%0.0323%0.232CC..Hα-helixtrans-68.4-39.5-179.91740000112A135 V136 R141 L142 I151 L346 L349 V353A135-V139 WeakPolarHBondContact O-CG2 3.43Å; A135-V139 PolarHBondContact O-N 3.41Å; V136-V139 PolarHBondContact O-N 3.24Å; V139-R141 PolarHBondContact O-N 2.95Å; V139-L142 WeakPolarHBondContact O-CB 3.37Å; V139-L142 PolarHBondContact O-N 3.29Å; V139-L142 VanDerWaalsContact O-N 3.11Å; V139-I151 HydrophobicContact CG2-CD1 4.45Å; V139-L346 HydrophobicContact CG2-CD2 3.66Å; V139-L349 HydrophobicContact CB-CB 4.28Å; V139-L349 HydrophobicContact CG1-CB 4.18Å; V139-L349 HydrophobicContact CG2-CB 3.83Å; V139-L349 HydrophobicContact CG2-CD1 4.25Å; V139-V353 HydrophobicContact CG1-CG2 3.85Å
140L88.8Confident87.6Confident68 Ų6839.1 Ų39.136%0.35622%0.215SC..Hα-helixtrans-64.2-30.3176.1-71.4174.9000112.4R108 L111 V136 L142 K143R108-L140 HydrophobicContact CG-CD1 4.38Å; L111-L140 HydrophobicContact CD1-CD2 3.98Å; L111-L140 HydrophobicContact CD1-CG 4.4Å; V136-L140 HydrophobicContact CG1-CD1 3.74Å; V136-L140 HydrophobicContact CG1-CG 4.24Å; V136-L140 WeakPolarHBondContact O-CB 3.4Å; V136-L140 VanDerWaalsContact O-CG 3.27Å; V136-L140 WeakPolarHBondContact O-CG 3.37Å; V136-L140 PolarHBondContact O-N 2.88Å; L140-L142 VanDerWaalsContact C-N 3.27Å; L140-L142 PolarHBondContact O-N 3.41Å; L140-K143 PolarHBondContact O-N 3.07Å
141R85.7Confident87.5Confident71 Ų7136.4 Ų36.427%0.26820%0.203SC..Hα-helixtrans-66.6-25.9174.1-78.4-177.6-174.4-177.59.1113.5N137 A138 V139 K143 D167 E168N137-R141 WeakPolarHBondContact O-CG 3.15Å; N137-R141 PolarHBondContact O-N 3.32Å; A138-R141 WeakPolarHBondContact O-CB 3.47Å; A138-R141 PolarHBondContact O-N 3.14Å; V139-R141 PolarHBondContact O-N 2.95Å; R141-K143 PolarHBondContact O-N 3.48Å; R141-D167 PolarHBondContact NH1-O 3.45Å; R141-E168 PolarHBondContact NH1-O 3.27Å
142L84.1Confident87.4Confident4 Ų437.9 Ų37.92%0.02121%0.21CC..THydrogen-bonded Turntrans-69.7-7.9178.2-61.5-175.9000114V139 L140 G144 S145 A150 I151 E321V139-L142 WeakPolarHBondContact O-CB 3.37Å; V139-L142 PolarHBondContact O-N 3.29Å; V139-L142 VanDerWaalsContact O-N 3.11Å; L140-L142 VanDerWaalsContact C-N 3.27Å; L140-L142 PolarHBondContact O-N 3.41Å; L142-G144 PolarHBondContact O-N 3.17Å; L142-S145 PolarHBondContact O-N 3.22Å; L142-S145 PolarHBondContact O-OG 3.27Å; L142-A150 HydrophobicContact CD2-CB 3.57Å; L142-I151 HydrophobicContact CD1-CD1 3.77Å; L142-I151 HydrophobicContact CD1-CG1 3.97Å; L142-I151 HydrophobicContact CD2-CG1 3.93Å; L142-I151 HydrophobicContact CG-CD1 4.25Å; L142-I151 HydrophobicContact CG-CG1 4.2Å; L142-E321 WeakPolarHBondContact CD2-O 3.31Å
143K78.4Confident87.4Confident138 Ų13839.5 Ų39.560%0.622%0.218SC*.THydrogen-bonded Turntrans4836.2177.4-64.2179-173.3157.80114.5L140 R141 M319 E321L140-K143 PolarHBondContact O-N 3.07Å; R141-K143 PolarHBondContact O-N 3.48Å; K143-M319 PolarHBondContact NZ-O 3.46Å; K143-E321 HydrophobicContact CD-CG 4.08Å; K143-E321 IonicContact NZ-OE1 3.89Å
144G73.1Confident87.4Confident47 Ų4737.2 Ų37.249%0.48521%0.206SC..THydrogen-bonded Turntrans82.56.5175.500000115.8L142 G146L142-G144 PolarHBondContact O-N 3.17Å; G144-G146 PolarHBondContact O-N 2.94Å
145S73.9Confident87.3Confident67 Ų6739.8 Ų39.847%0.46922%0.217SC..  trans-57.1-33170.569.60000111.4L142 N147L142-S145 PolarHBondContact O-N 3.22Å; L142-S145 PolarHBondContact O-OG 3.27Å; S145-N147 PolarHBondContact O-N 3.41Å; S145-N147 VanDerWaalsContact O-N 3.11Å; S145-N147 PolarHBondContact OG-N 3.18Å
146G75Confident87.3Confident17 Ų1740.4 Ų40.418%0.17522%0.22CC..  trans6116.4-178.300000113.2G144G144-G146 PolarHBondContact O-N 2.94Å
147N82.9Confident87.2Confident73 Ų7344.6 Ų44.639%0.3924%0.242SC..  trans-93.7107.1175.3-173.44.2000109.2S145 D149 A150S145-N147 PolarHBondContact O-N 3.41Å; S145-N147 VanDerWaalsContact O-N 3.11Å; S145-N147 PolarHBondContact OG-N 3.18Å; N147-D149 PolarHBondContact O-N 3.46Å; N147-D149 WeakPolarHBondContact OD1-CB 3.32Å; N147-D149 PolarHBondContact OD1-N 3.02Å; N147-D149 VanDerWaalsContact OD1-N 3.09Å; N147-D149 PolarHBondContact OD1-OD2 3.2Å; N147-A150 WeakPolarHBondContact O-CB 3.38Å; N147-A150 PolarHBondContact O-N 3.35Å
148L87.1Confident87.1Confident39 Ų3943.4 Ų43.420%0.20424%0.242CC..G310 helixtrans-68.7-21.7-179.8-64.5174.2000112.6A150 I151 L346 C347 A350L148-A150 PolarHBondContact O-N 3.42Å; L148-A150 VanDerWaalsContact O-N 3.1Å; L148-I151 PolarHBondContact O-N 3.06Å; L148-L346 HydrophobicContact CD2-CB 3.93Å; L148-C347 HydrophobicContact CD1-CB 4.2Å; L148-C347 WeakPolarHBondContact CD1-SG 3.27Å; L148-A350 HydrophobicContact CD2-CB 3.81Å; L148-A350 HydrophobicContact CG-CB 4.42Å
149D87.3Confident86.9Confident99 Ų9945.3 Ų45.353%0.52926%0.262SS..G310 helixtrans-62.1-20.9177.4-62.2-26.5000112.1N147 I151 R274N147-D149 PolarHBondContact O-N 3.46Å; N147-D149 WeakPolarHBondContact OD1-CB 3.32Å; N147-D149 PolarHBondContact OD1-N 3.02Å; N147-D149 VanDerWaalsContact OD1-N 3.09Å; N147-D149 PolarHBondContact OD1-OD2 3.2Å; D149-I151 PolarHBondContact O-N 2.95Å; D149-R274 VanDerWaalsContact O-CZ 3.26Å; D149-R274 PolarHBondContact O-NE 2.95Å; D149-R274 PolarHBondContact O-NH2 3.34Å
150A88.6Confident86.8Confident2 Ų248.7 Ų48.72%0.01728%0.283CS..G310 helixtrans-71.5-14.217400000113.5L142 N147 L148 L277 A322 C323L142-A150 HydrophobicContact CD2-CB 3.57Å; N147-A150 WeakPolarHBondContact O-CB 3.38Å; N147-A150 PolarHBondContact O-N 3.35Å; L148-A150 PolarHBondContact O-N 3.42Å; L148-A150 VanDerWaalsContact O-N 3.1Å; A150-L277 HydrophobicContact CB-CD1 4.12Å; A150-A322 HydrophobicContact CB-CB 4.08Å; A150-A322 VanDerWaalsContact O-CA 3.31Å; A150-A322 WeakPolarHBondContact O-CA 3.25Å; A150-A322 WeakPolarHBondContact O-CB 3.43Å; A150-C323 PolarHBondContact O-N 3.09Å; A150-C323 VanDerWaalsContact O-N 3.13Å
151I91.9Very high86.8Confident11 Ų1146.7 Ų46.76%0.05627%0.272CS..EExtended strand (participates in β ladder)trans-97.4110174.3-54.7179.5000108.4A138 V139 L142 L148 D149 I325 L346A138-I151 HydrophobicContact CB-CD1 3.99Å; V139-I151 HydrophobicContact CG2-CD1 4.45Å; L142-I151 HydrophobicContact CD1-CD1 3.77Å; L142-I151 HydrophobicContact CD1-CG1 3.97Å; L142-I151 HydrophobicContact CD2-CG1 3.93Å; L142-I151 HydrophobicContact CG-CD1 4.25Å; L142-I151 HydrophobicContact CG-CG1 4.2Å; L148-I151 PolarHBondContact O-N 3.06Å; D149-I151 PolarHBondContact O-N 2.95Å; I151-I325 HydrophobicContact CG2-CD1 3.81Å; I151-I325 HydrophobicContact CG2-CG1 4.18Å; I151-L346 HydrophobicContact CD1-CD1 4.06Å; I151-L346 HydrophobicContact CD1-CD2 3.78Å; I151-L346 HydrophobicContact CD1-CG 4.42Å; I151-L346 HydrophobicContact CG2-CD1 4.07Å
152Q92.8Very high87.1Confident30 Ų3046.3 Ų46.314%0.1428%0.277CS..EExtended strand (participates in β ladder)trans-87127.8173.5-174.7174.8-1.600110.3I154 F170 L171 C323 T324 I325Q152-I154 HydrophobicContact CG-CG1 3.97Å; Q152-F170 HydrophobicContact CB-CE2 4.32Å; Q152-L171 PolarHBondContact OE1-O 3.24Å; Q152-C323 PolarHBondContact N-O 2.81Å; Q152-T324 HydrophobicContact CB-CG2 4.12Å; Q152-T324 HydrophobicContact CG-CG2 4.27Å; Q152-T324 CarbonylContact O-C 3.52Å; Q152-T324 VanDerWaalsContact O-CA 3.31Å; Q152-T324 WeakPolarHBondContact O-CA 3.37Å; Q152-I325 PolarHBondContact O-N 3.43Å
153I93.9Very high87.5Confident35 Ų3550 Ų5018%0.17930%0.298CS..EExtended strand (participates in β ladder)trans-102.7119171.6-56.7175.8000108.3I325 L327 E339 L342 L346I153-I325 WeakPolarHBondContact CA-O 3.44Å; I153-L327 HydrophobicContact CG2-CD1 3.45Å; I153-L327 VanDerWaalsContact CG2-CD1 3.45Å; I153-L327 HydrophobicContact CG2-CG 3.83Å; I153-E339 HydrophobicContact CD1-CG 4.15Å; I153-E339 HydrophobicContact CG2-CB 4.33Å; I153-E339 HydrophobicContact CG2-CG 4.08Å; I153-L342 HydrophobicContact CD1-CD2 4.24Å; I153-L346 HydrophobicContact CD1-CD1 4.35Å
154I92.9Very high88.2Confident8 Ų843.5 Ų43.54%0.04127%0.269CS..EExtended strand (participates in β ladder)trans-109.9115.9176.3-58.9-177000108.7Q152 K156 L171 T324 I325 V326 L327Q152-I154 HydrophobicContact CG-CG1 3.97Å; I154-K156 HydrophobicContact CG2-CD 4.17Å; I154-K156 VanDerWaalsContact CG2-CE 3.48Å; I154-K156 HydrophobicContact CG2-CG 4.01Å; I154-L171 HydrophobicContact CD1-CB 4.08Å; I154-T324 HydrophobicContact CB-CG2 4.49Å; I154-T324 HydrophobicContact CD1-CG2 3.54Å; I154-T324 HydrophobicContact CG1-CG2 3.7Å; I154-I325 PolarHBondContact N-O 2.94Å; I154-V326 CarbonylContact O-C 3.47Å; I154-V326 WeakPolarHBondContact O-CA 3.25Å; I154-L327 PolarHBondContact O-N 2.96Å
155Q93.4Very high89.2Confident68 Ų6844.6 Ų44.632%0.31826%0.259SS..EExtended strand (participates in β ladder)trans-88.1122.4174.3-65.4175.5-14.800110.6L335 E339Q155-L335 HydrophobicContact CB-CB 4.43Å; Q155-L335 HydrophobicContact CB-CD1 4.35Å; Q155-L335 HydrophobicContact CG-CB 4.31Å; Q155-L335 PolarHBondContact NE2-O 2.63Å; Q155-L335 VanDerWaalsContact NE2-O 3.09Å; Q155-E339 PolarHBondContact NE2-OE2 3.08Å
156K92.5Very high90.2Very high14 Ų1442.3 Ų42.36%0.06124%0.242CC..EExtended strand (participates in β ladder)trans-125.7127.4172.5-62.6-62.2-179.8-1650110.2I154 D173 I306 D309 L327I154-K156 HydrophobicContact CG2-CD 4.17Å; I154-K156 VanDerWaalsContact CG2-CE 3.48Å; I154-K156 HydrophobicContact CG2-CG 4.01Å; K156-D173 IonicContact NZ-OD1 3.88Å; K156-D173 IonicContact NZ-OD2 2.75Å; K156-D173 PolarHBondContact NZ-OD2 3.49Å; K156-I306 HydrophobicContact CB-CG2 4.13Å; K156-I306 HydrophobicContact CG-CG2 3.92Å; K156-D309 HydrophobicContact CD-CB 4.15Å; K156-D309 VanDerWaalsContact CD-OD2 3.25Å; K156-D309 WeakPolarHBondContact CD-OD2 3.33Å; K156-D309 WeakPolarHBondContact CE-OD2 2.82Å; K156-D309 IonicContact NZ-OD2 3.49Å; K156-D309 PolarHBondContact NZ-OD2 3.45Å; K156-L327 PolarHBondContact N-O 3.36Å
157L92.7Very high91Very high87 Ų8741.9 Ų41.946%0.45524%0.235SC..EExtended strand (participates in β ladder)trans-66.8145.8-179.4-77.1163.9000112.1R328 K332 L335L157-R328 PolarHBondContact O-NH2 3.43Å; L157-K332 HydrophobicContact CD1-CD 4.44Å; L157-K332 HydrophobicContact CD1-CG 3.92Å; L157-K332 HydrophobicContact CD2-CG 3.76Å; L157-K332 HydrophobicContact CG-CG 4.27Å; L157-L335 HydrophobicContact CD2-CD1 3.66Å; L157-L335 HydrophobicContact CG-CD1 3.99Å
158G90.1Very high91.1Very high28 Ų2846.6 Ų46.629%0.28926%0.255SS..BIsolated β-bridgetrans94163.8176.300000113.7R328 G329G158-R328 PolarHBondContact O-NE 3.28Å; G158-R328 PolarHBondContact O-NH2 2.9Å; G158-G329 PolarHBondContact N-O 3.26Å
159G87.6Confident91.1Very high41 Ų4144.8 Ų44.842%0.42325%0.246SC..SBendtrans79.7-172.7-170.900000112.5
160T90.7Very high91.3Very high75 Ų7540.1 Ų40.146%0.4622%0.221SC..  trans-99.8161.6176.961.70000110.6T162 D163 R328T160-T162 PolarHBondContact O-N 3.01Å; T160-T162 PolarHBondContact OG1-OG1 2.84Å; T160-D163 PolarHBondContact N-OD2 2.87Å; T160-D163 WeakPolarHBondContact O-CB 3.49Å; T160-D163 PolarHBondContact O-N 2.77Å; T160-D163 PolarHBondContact OG1-OD1 3.32Å; T160-D163 PolarHBondContact OG1-OD2 3.29Å; T160-R328 WeakPolarHBondContact O-CB 3.49Å
161M88.9Confident91.5Very high26 Ų2640 Ų4013%0.12822%0.22CC..G310 helixtrans-60.6-30.6177.7-64.3-54.7-61.400112.4L124 F131 D163 S164 I334 A338L124-M161 HydrophobicContact CD2-CE 3.73Å; F131-M161 HydrophobicContact CE2-CB 4.29Å; F131-M161 HydrophobicContact CZ-CB 4.44Å; F131-M161 HydrophobicContact CZ-CE 3.97Å; M161-D163 PolarHBondContact O-N 3.21Å; M161-S164 VanDerWaalsContact O-CB 3.22Å; M161-S164 WeakPolarHBondContact O-CB 3.37Å; M161-S164 PolarHBondContact O-N 3.07Å; M161-S164 PolarHBondContact O-OG 3.44Å; M161-I334 HydrophobicContact CE-CG2 4.18Å; M161-I334 HydrophobicContact CG-CG2 4.37Å; M161-I334 HydrophobicContact SD-CG2 3.36Å; M161-I334 WeakPolarHBondContact SD-CG2 3.47Å; M161-A338 HydrophobicContact CE-CB 3.35Å
162T91.2Very high91.5Very high63 Ų6339.7 Ų39.739%0.38722%0.219SC..G310 helixtrans-68.7-18.8176.444.90000113.8H127 H130 T160 S164H127-T162 WeakPolarHBondContact ND1-CG2 3.36Å; H130-T162 PolarHBondContact NE2-O 3.37Å; T160-T162 PolarHBondContact O-N 3.01Å; T160-T162 PolarHBondContact OG1-OG1 2.84Å; T162-S164 PolarHBondContact O-N 3.05Å
163D92.6Very high91.3Very high83 Ų8341.5 Ų41.544%0.44423%0.229SC..G310 helixtrans-76.8-3.3174.7-57.1-35.9000112.1T160 M161 R328T160-D163 PolarHBondContact N-OD2 2.87Å; T160-D163 WeakPolarHBondContact O-CB 3.49Å; T160-D163 PolarHBondContact O-N 2.77Å; T160-D163 PolarHBondContact OG1-OD1 3.32Å; T160-D163 PolarHBondContact OG1-OD2 3.29Å; M161-D163 PolarHBondContact O-N 3.21Å; D163-R328 HydrophobicContact CB-CB 4.05Å; D163-R328 HydrophobicContact CB-CG 4.01Å; D163-R328 WeakPolarHBondContact O-CG 3.45Å
164S93.8Very high91.1Very high1 Ų142.3 Ų42.31%0.00723%0.231CC..  trans-69.2141.4173-53.20000110.3H130 M161 T162 V326 R328H130-S164 PolarHBondContact CE1-O 3.14Å; H130-S164 PolarHBondContact NE2-O 3.32Å; M161-S164 VanDerWaalsContact O-CB 3.22Å; M161-S164 WeakPolarHBondContact O-CB 3.37Å; M161-S164 PolarHBondContact O-N 3.07Å; M161-S164 PolarHBondContact O-OG 3.44Å; T162-S164 PolarHBondContact O-N 3.05Å; S164-V326 CarbonylContact C-O 3.45Å; S164-V326 WeakPolarHBondContact CA-O 3.33Å; S164-V326 VanDerWaalsContact CB-O 3.25Å; S164-V326 WeakPolarHBondContact CB-O 3.31Å; S164-R328 PolarHBondContact OG-N 3.45Å; S164-R328 PolarHBondContact OG-O 3.35Å
165Y94.6Very high90.9Very high70 Ų7049.1 Ų49.128%0.27526%0.257SS..EExtended strand (participates in β ladder)trans-152.3159.6-177.569.2-88000112.5D167 I306 R313 V326Y165-D167 HydrophobicContact CD2-CB 4.47Å; Y165-D167 HydrophobicContact CE2-CB 3.92Å; Y165-I306 WeakPolarHBondContact OH-CD1 3.45Å; Y165-R313 PolarHBondContact OH-NH2 3.02Å; Y165-V326 HydrophobicContact CD1-CB 4.33Å; Y165-V326 HydrophobicContact CE1-CB 4Å; Y165-V326 HydrophobicContact CE1-CG1 4.31Å; Y165-V326 HydrophobicContact CE1-CG2 4.25Å; Y165-V326 HydrophobicContact CE2-CG2 4.37Å; Y165-V326 PolarHBondContact N-O 3.1Å; Y165-V326 PolarHBondContact O-N 3.38Å
166L93.9Very high90.7Very high19 Ų1946.7 Ų46.710%0.09925%0.247CC..EExtended strand (participates in β ladder)trans-93.4115.5170.4173.468.8000107.4L134 N137 A138 C323 I325L134-L166 HydrophobicContact CD2-CB 3.69Å; L134-L166 VanDerWaalsContact CD2-N 3.34Å; N137-L166 HydrophobicContact CB-CD2 3.6Å; A138-L166 HydrophobicContact CB-CD1 4.14Å; A138-L166 HydrophobicContact CB-CD2 4.35Å; L166-C323 HydrophobicContact CD1-CB 3.73Å; L166-I325 HydrophobicContact CD1-CG1 3.66Å
167D92Very high90.4Very high8 Ų846.8 Ų46.84%0.04325%0.251CS..  trans-66.9141.2178.5-161.3-81.1000109.8R141 Y165 G169 L171 R313 T324R141-D167 PolarHBondContact NH1-O 3.45Å; Y165-D167 HydrophobicContact CD2-CB 4.47Å; Y165-D167 HydrophobicContact CE2-CB 3.92Å; D167-G169 PolarHBondContact O-N 3.46Å; D167-G169 PolarHBondContact OD1-N 3.45Å; D167-L171 HydrophobicContact CB-CD1 3.82Å; D167-L171 HydrophobicContact CB-CG 4.01Å; D167-R313 IonicContact OD1-NE 3.4Å; D167-R313 IonicContact OD2-CZ 3.69Å; D167-R313 IonicContact OD2-NE 3.31Å; D167-R313 PolarHBondContact OD2-NE 3.02Å; D167-R313 IonicContact OD2-NH2 3.92Å; D167-R313 PolarHBondContact OD2-NH2 3.17Å; D167-T324 PolarHBondContact N-O 2.94Å
168E85.1Confident90.2Very high171 Ų17147.3 Ų47.380%0.79926%0.258SS*.SBendtrans-67.5-26.6-177.1-71.6-170.6166.100113.2R141R141-E168 PolarHBondContact NH1-O 3.27Å
169G87Confident90Very high2 Ų253.3 Ų53.32%0.02128%0.284CS..SBendtrans-112.5-112.2170.800000111.1D167 F314D167-G169 PolarHBondContact O-N 3.46Å; D167-G169 PolarHBondContact OD1-N 3.45Å; G169-F314 VanDerWaalsContact CA-O 3.24Å; G169-F314 WeakPolarHBondContact CA-O 3.35Å
170F91.7Very high90.1Very high0 Ų052 Ų520%027%0.266CS..EExtended strand (participates in β ladder)trans-146.1138.9-175.9-170.7-99.9000111.1Q152 L172 R274 L275 V278 F314 T324Q152-F170 HydrophobicContact CB-CE2 4.32Å; F170-L172 HydrophobicContact CE1-CB 4.42Å; F170-L172 HydrophobicContact CE1-CD1 4.28Å; F170-R274 HydrophobicContact CE1-CB 4.39Å; F170-R274 HydrophobicContact CE2-CB 3.65Å; F170-R274 HydrophobicContact CE2-CG 4.2Å; F170-R274 HydrophobicContact CZ-CB 3.47Å; F170-R274 VanDerWaalsContact CZ-CB 3.47Å; F170-R274 HydrophobicContact CZ-CG 4.2Å; F170-L275 HydrophobicContact CD1-CD2 3.77Å; F170-L275 HydrophobicContact CD1-CG 4.38Å; F170-L275 HydrophobicContact CE1-CD2 3.95Å; F170-L275 HydrophobicContact CE1-CG 4.07Å; F170-V278 HydrophobicContact CB-CB 4.39Å; F170-V278 HydrophobicContact CB-CG1 3.82Å; F170-V278 HydrophobicContact CB-CG2 3.84Å; F170-V278 HydrophobicContact CD2-CG2 3.69Å; F170-V278 HydrophobicContact CE2-CG2 4.45Å; F170-V278 HydrophobicContact CG-CG2 3.84Å; F170-F314 HydrophobicContact CB-CB 4.37Å; F170-F314 HydrophobicContact CD1-CD2 4.44Å; F170-F314 PolarHBondContact N-O 3.13Å; F170-F314 PolarHBondContact O-N 3.15Å; F170-T324 WeakPolarHBondContact CD2-OG1 3.48Å; F170-T324 WeakPolarHBondContact CE2-OG1 3.45Å
171L92.7Very high90Very high0 Ų050.6 Ų50.60%026%0.259CS..EExtended strand (participates in β ladder)trans-110.2130176-68.2164.3000109.7Q152 I154 D167 V304 I306 L312 R313 T324 V326Q152-L171 PolarHBondContact OE1-O 3.24Å; I154-L171 HydrophobicContact CD1-CB 4.08Å; D167-L171 HydrophobicContact CB-CD1 3.82Å; D167-L171 HydrophobicContact CB-CG 4.01Å; L171-V304 HydrophobicContact CD2-CG2 3.87Å; L171-I306 HydrophobicContact CD1-CD1 3.99Å; L171-L312 WeakPolarHBondContact CA-O 3.42Å; L171-R313 HydrophobicContact CD2-CB 3.62Å; L171-R313 HydrophobicContact CD2-CG 3.92Å; L171-T324 HydrophobicContact CB-CG2 3.82Å; L171-T324 HydrophobicContact CD1-CG2 4.38Å; L171-T324 PolarHBondContact N-OG1 2.95Å; L171-T324 PolarHBondContact O-OG1 3.4Å; L171-V326 HydrophobicContact CD1-CG2 3.28Å
172L91.2Very high90Very high5 Ų555 Ų553%0.02628%0.277CS..EExtended strand (participates in β ladder)trans-113.1126.2176.2-173.371.3000110F170 K174 I264 L275 L312 F314F170-L172 HydrophobicContact CE1-CB 4.42Å; F170-L172 HydrophobicContact CE1-CD1 4.28Å; L172-K174 HydrophobicContact CD1-CG 4.48Å; L172-K174 HydrophobicContact CD2-CB 4.11Å; L172-K174 HydrophobicContact CD2-CG 4.14Å; L172-K174 HydrophobicContact CG-CB 4.14Å; L172-K174 HydrophobicContact CG-CG 3.97Å; L172-K174 PolarHBondContact O-N 3.17Å; L172-I264 HydrophobicContact CD2-CD1 4.48Å; L172-I264 HydrophobicContact CD2-CG2 3.81Å; L172-L275 HydrophobicContact CD1-CD1 4.26Å; L172-L275 HydrophobicContact CD2-CD1 4.09Å; L172-L312 HydrophobicContact CB-CB 4.46Å; L172-L312 PolarHBondContact N-O 3.2Å; L172-L312 PolarHBondContact O-N 3.12Å; L172-F314 HydrophobicContact CB-CE2 3.86Å; L172-F314 HydrophobicContact CD2-CE2 4.26Å; L172-F314 HydrophobicContact CD2-CZ 4.46Å
173D89.2Confident90Very high67 Ų6758.6 Ų58.636%0.35828%0.284SS..SBendtrans-80.662.4176.7-158.4-10.5000112K156 L311K156-D173 IonicContact NZ-OD1 3.88Å; K156-D173 IonicContact NZ-OD2 2.75Å; K156-D173 PolarHBondContact NZ-OD2 3.49Å; D173-L311 VanDerWaalsContact CA-CD2 3.44Å; D173-L311 HydrophobicContact CB-CD2 3.57Å; D173-L311 WeakPolarHBondContact OD1-CD2 3.38Å
174K90.2Very high90Very high52 Ų5255.4 Ų55.423%0.22627%0.267CS..  trans-144.5167.4176.3-59.1-66.6157.2160.30109.7L172 I264 H266 D268 L312L172-K174 HydrophobicContact CD1-CG 4.48Å; L172-K174 HydrophobicContact CD2-CB 4.11Å; L172-K174 HydrophobicContact CD2-CG 4.14Å; L172-K174 HydrophobicContact CG-CB 4.14Å; L172-K174 HydrophobicContact CG-CG 3.97Å; L172-K174 PolarHBondContact O-N 3.17Å; K174-I264 HydrophobicContact CB-CG2 3.89Å; K174-I264 HydrophobicContact CG-CG2 4.41Å; K174-H266 WeakPolarHBondContact CE-O 3.41Å; K174-H266 PolarHBondContact NZ-O 2.74Å; K174-D268 IonicContact NZ-OD2 3.6Å; K174-D268 PolarHBondContact NZ-OD2 2.93Å; K174-L312 WeakPolarHBondContact O-CG 3.38Å
175R88Confident89.9Confident151 Ų15161 Ų6157%0.5729%0.293SS*.  trans-117.7151.7179.2-64.5-179.9-172.7176.32109.8
176P89.2Confident89.8Confident18 Ų1862.7 Ų62.712%0.11731%0.307CS..PPolyproline II helixtrans-68.4156.9170.130.9-32.1000109.8K182 M262 L312P176-K182 HydrophobicContact CG-CG 4.49Å; P176-M262 HydrophobicContact CB-CE 4.36Å; P176-M262 HydrophobicContact CB-CG 3.83Å; P176-M262 HydrophobicContact CB-SD 4.31Å; P176-L312 HydrophobicContact CG-CD2 4.5Å
177G86.2Confident89.7Confident15 Ų1561.8 Ų61.816%0.15530%0.302CS..PPolyproline II helixtrans-61168175.200000113.7Q180 E253 A263G177-Q180 VanDerWaalsContact CA-OE1 3.24Å; G177-Q180 PolarHBondContact O-N 3.21Å; G177-E253 WeakPolarHBondContact CA-OE1 3.37Å; G177-A263 PolarHBondContact N-O 3Å
178V87.7Confident89.7Confident98 Ų9866.6 Ų66.659%0.59432%0.323SS*.THydrogen-bonded Turntrans-66.1135-177.5-174.80000110.4Q180 E253V178-Q180 PolarHBondContact O-N 3.44Å; V178-E253 PolarHBondContact N-OE1 3.27Å
179N86.8Confident90.1Very high154 Ų15458.5 Ų58.582%0.82429%0.285SS*.THydrogen-bonded Turntrans60.818.6-179.1-59.8-30.2000115.9
180Q89.3Confident90.5Very high13 Ų1358.4 Ų58.46%0.06128%0.284CS..SBendtrans-92.8159.3175.2-69.6169.85.800111.5G177 V178 K182 E253 A257 A263G177-Q180 VanDerWaalsContact CA-OE1 3.24Å; G177-Q180 PolarHBondContact O-N 3.21Å; V178-Q180 PolarHBondContact O-N 3.44Å; Q180-K182 PolarHBondContact O-N 3.35Å; Q180-E253 PolarHBondContact NE2-O 3.48Å; Q180-A257 HydrophobicContact CG-CB 3.94Å; Q180-A263 PolarHBondContact OE1-O 3.23Å
181P88.7Confident90.6Very high46 Ų4658.5 Ų58.530%0.29929%0.285SS..  trans-59.2130.9176.124.1-33.7000110R183 V184 M262P181-R183 VanDerWaalsContact C-N 3.33Å; P181-V184 HydrophobicContact CB-CG2 4.22Å; P181-V184 HydrophobicContact CG-CG2 4.04Å; P181-M262 HydrophobicContact CG-CB 4.38Å; P181-M262 WeakPolarHBondContact O-CE 3.22Å
182K88.4Confident90.6Very high118 Ų11858.5 Ų58.551%0.51329%0.285SS..SBendtrans-84.7-12176.6-63.9-173.8176.5-166.30113.7P176 Q180 E303P176-K182 HydrophobicContact CG-CG 4.49Å; Q180-K182 PolarHBondContact O-N 3.35Å; K182-E303 HydrophobicContact CB-CB 4.47Å; K182-E303 IonicContact NZ-OE2 3.29Å; K182-E303 PolarHBondContact O-N 3.16Å; K182-E303 VanDerWaalsContact O-N 3.13Å
183R92.4Very high90.6Very high139 Ų13960 Ų6053%0.52529%0.292SS..EExtended strand (participates in β ladder)trans-137.2129.1179.1176.7172.7163.8157.3-4.8108.7P181 E185 L300 I301 E302P181-R183 VanDerWaalsContact C-N 3.33Å; R183-E185 IonicContact CZ-OE1 2.77Å; R183-E185 IonicContact NE-OE1 2.63Å; R183-E185 PolarHBondContact NE-OE1 3.27Å; R183-E185 IonicContact NH2-OE1 3.04Å; R183-E185 PolarHBondContact NH2-OE1 3.16Å; R183-L300 HydrophobicContact CG-CD1 3.77Å; R183-I301 CarbonylContact C-O 3.26Å; R183-I301 WeakPolarHBondContact CA-O 3.47Å; R183-E302 HydrophobicContact CG-CB 4.43Å
184V92.2Very high90.7Very high16 Ų1657.2 Ų57.210%0.09728%0.278CS..EExtended strand (participates in β ladder)trans-131.3123.3178.9-179.40000108.3P181 A187 V241 M262 L300 I301P181-V184 HydrophobicContact CB-CG2 4.22Å; P181-V184 HydrophobicContact CG-CG2 4.04Å; V184-A187 HydrophobicContact CG1-CB 3.88Å; V184-V241 HydrophobicContact CB-CG2 4.27Å; V184-V241 HydrophobicContact CG1-CG2 4.08Å; V184-V241 HydrophobicContact CG2-CG2 4.19Å; V184-M262 HydrophobicContact CG2-CB 4.26Å; V184-M262 HydrophobicContact CG2-CE 3.74Å; V184-L300 WeakPolarHBondContact O-CA 3.34Å; V184-I301 PolarHBondContact N-O 3.17Å; V184-I301 PolarHBondContact O-N 2.97Å
185E92.7Very high90.6Very high120 Ų12056.5 Ų56.556%0.56128%0.278SS*.EExtended strand (participates in β ladder)trans-96144.8175-66.4-179.917800110.1R183 A187 D299 L300R183-E185 IonicContact CZ-OE1 2.77Å; R183-E185 IonicContact NE-OE1 2.63Å; R183-E185 PolarHBondContact NE-OE1 3.27Å; R183-E185 IonicContact NH2-OE1 3.04Å; R183-E185 PolarHBondContact NH2-OE1 3.16Å; E185-A187 PolarHBondContact O-N 3.08Å; E185-D299 CarbonylContact C-O 3.59Å; E185-D299 WeakPolarHBondContact CA-O 3.21Å; E185-L300 HydrophobicContact CG-CD1 3.88Å
186N91Very high90.6Very high105 Ų10549.3 Ų49.356%0.56125%0.251SS*.EExtended strand (participates in β ladder)trans48.553.7-176.8-61.6-61.8000112.4K188 C298 D299N186-K188 PolarHBondContact O-N 3.06Å; N186-C298 CarbonylContact C-O 3.51Å; N186-D299 PolarHBondContact N-O 3.05Å
187A91.7Very high90.2Very high0 Ų052.2 Ų52.20%027%0.266CS..EExtended strand (participates in β ladder)trans-67.3134.6-172.600000112V184 E185 I189 S240 V241 H297 C298 I301V184-A187 HydrophobicContact CG1-CB 3.88Å; E185-A187 PolarHBondContact O-N 3.08Å; A187-I189 HydrophobicContact CB-CG1 4.18Å; A187-S240 VanDerWaalsContact CA-OG 3.3Å; A187-S240 WeakPolarHBondContact CA-OG 3.27Å; A187-V241 HydrophobicContact CB-CG2 4.05Å; A187-H297 WeakPolarHBondContact O-CA 3.31Å; A187-H297 PolarHBondContact O-ND1 2.98Å; A187-H297 VanDerWaalsContact O-ND1 3.12Å; A187-C298 PolarHBondContact N-O 2.73Å; A187-C298 PolarHBondContact O-N 3.4Å; A187-I301 HydrophobicContact CB-CD1 3.55Å; A187-I301 HydrophobicContact CB-CG1 4.09Å
188K92.7Very high89.5Confident109 Ų10953 Ų5347%0.47427%0.271SS..EExtended strand (participates in β ladder)trans-103.1110.3165.3-65.8-176.9-178.7179.10108.2N186 C239 S240 V241N186-K188 PolarHBondContact O-N 3.06Å; K188-C239 WeakPolarHBondContact O-CA 3.38Å; K188-S240 PolarHBondContact N-OG 2.9Å; K188-S240 PolarHBondContact O-N 3.4Å; K188-S240 PolarHBondContact O-OG 3.24Å; K188-V241 PolarHBondContact O-N 3.43Å; K188-V241 VanDerWaalsContact O-N 3.11Å
189I93.3Very high88.5Confident0 Ų052 Ų520%026%0.262CS..EExtended strand (participates in β ladder)trans-102.9121.9-168.9-54.1166.8000108.8A187 I191 V241 I243 T279 G296 C298 I301 F314A187-I189 HydrophobicContact CB-CG1 4.18Å; I189-I191 HydrophobicContact CG2-CG1 3.92Å; I189-V241 WeakPolarHBondContact CA-O 3.5Å; I189-V241 HydrophobicContact CG1-CB 4.25Å; I189-I243 HydrophobicContact CG2-CD1 3.59Å; I189-I243 HydrophobicContact CG2-CG1 3.85Å; I189-T279 HydrophobicContact CD1-CG2 3.41Å; I189-T279 VanDerWaalsContact CD1-CG2 3.41Å; I189-G296 PolarHBondContact N-O 2.97Å; I189-G296 PolarHBondContact O-N 3.49Å; I189-C298 HydrophobicContact CD1-CB 4.36Å; I189-I301 HydrophobicContact CD1-CD1 4.04Å; I189-I301 HydrophobicContact CG1-CD1 4.17Å; I189-F314 HydrophobicContact CD1-CD1 4Å; I189-F314 HydrophobicContact CD1-CE1 3.94Å
190L94.2Very high87.4Confident1 Ų152.3 Ų52.31%0.00526%0.256CS..EExtended strand (participates in β ladder)trans-99.4116.9167.3-179.465.7000108.6I234 H237 C239 V241 F242 I243 V284 F287 L295L190-I234 HydrophobicContact CD2-CG2 3.84Å; L190-H237 HydrophobicContact CD2-CB 4.42Å; L190-C239 HydrophobicContact CB-CB 3.83Å; L190-V241 PolarHBondContact N-O 3.07Å; L190-F242 HydrophobicContact CB-CD2 4.32Å; L190-F242 HydrophobicContact CD2-CD2 4Å; L190-F242 HydrophobicContact CD2-CE2 4.18Å; L190-F242 HydrophobicContact CG-CD2 4.26Å; L190-I243 PolarHBondContact O-N 3.14Å; L190-V284 HydrophobicContact CD1-CB 4.36Å; L190-V284 HydrophobicContact CD1-CG2 4.21Å; L190-F287 HydrophobicContact CD2-CD1 4.1Å; L190-F287 HydrophobicContact CD2-CE1 4.06Å; L190-L295 HydrophobicContact CB-CD2 3.84Å; L190-L295 HydrophobicContact CD1-CD2 3.63Å; L190-L295 HydrophobicContact CG-CD2 4.29Å
191I94.2Very high86.2Confident2 Ų256.9 Ų56.91%0.0128%0.28CS..EExtended strand (participates in β ladder)trans-96.8122.6178.6-58.3176.7000107.8I189 V272 L275 A276 I283 V284I189-I191 HydrophobicContact CG2-CG1 3.92Å; I191-V272 HydrophobicContact CG2-CB 4.39Å; I191-V272 HydrophobicContact CG2-CG1 3.3Å; I191-L275 HydrophobicContact CD1-CB 3.94Å; I191-A276 HydrophobicContact CD1-CB 4.12Å; I191-I283 HydrophobicContact CG2-CG1 4.09Å; I191-V284 PolarHBondContact O-N 2.92Å
192A92.9Very high85.1Confident0 Ų063.9 Ų63.90%031%0.306CS..EExtended strand (participates in β ladder)trans-130.7152.1-169.500000113.8F242 I243 N244 R245 V284 F287A192-F242 HydrophobicContact CB-CD2 4.4Å; A192-F242 HydrophobicContact CB-CE2 3.42Å; A192-F242 VanDerWaalsContact CB-CE2 3.42Å; A192-F242 HydrophobicContact CB-CZ 3.72Å; A192-I243 PolarHBondContact N-O 3.32Å; A192-N244 WeakPolarHBondContact O-CA 3.35Å; A192-N244 PolarHBondContact O-OD1 3.25Å; A192-R245 PolarHBondContact O-N 3.17Å; A192-V284 CarbonylContact C-O 3.54Å; A192-V284 WeakPolarHBondContact CA-O 3.31Å; A192-F287 HydrophobicContact CB-CE1 3.98Å; A192-F287 HydrophobicContact CB-CZ 3.86Å
193N92.5Very high84Confident36 Ų3662.7 Ų62.719%0.19331%0.308CS..  trans-129.283.5167.2177.316.9000109.7R245 Q246 I283 V284 S285N193-R245 HydrophobicContact CB-CB 4.26Å; N193-R245 VanDerWaalsContact CG-NE 3.34Å; N193-R245 PolarHBondContact ND2-NH1 3.26Å; N193-R245 PolarHBondContact ND2-NH2 2.82Å; N193-R245 PolarHBondContact OD1-NE 3.23Å; N193-R245 PolarHBondContact OD1-NH2 3.14Å; N193-Q246 PolarHBondContact OD1-NE2 2.94Å; N193-Q246 VanDerWaalsContact OD1-NE2 3.14Å; N193-I283 HydrophobicContact CB-CG2 4.09Å; N193-V284 PolarHBondContact N-O 3Å; N193-S285 PolarHBondContact O-OG 3.04Å
194T89.9Confident82.8Confident9 Ų966.1 Ų66.16%0.05533%0.327CS..  trans-140.7146.1-178-156.70000111.4M196 K230 F242 N244 F287T194-M196 HydrophobicContact CG2-CG 3.83Å; T194-M196 HydrophobicContact CG2-SD 3.73Å; T194-M196 PolarHBondContact O-N 3.45Å; T194-K230 VanDerWaalsContact OG1-CE 3.24Å; T194-K230 WeakPolarHBondContact OG1-CE 3.4Å; T194-K230 PolarHBondContact OG1-NZ 3.41Å; T194-F242 HydrophobicContact CG2-CZ 4.47Å; T194-N244 PolarHBondContact N-OD1 3.45Å; T194-N244 VanDerWaalsContact N-OD1 3.1Å; T194-N244 PolarHBondContact O-ND2 2.81Å; T194-N244 PolarHBondContact O-OD1 3Å; T194-F287 HydrophobicContact CG2-CE2 3.65Å; T194-F287 HydrophobicContact CG2-CZ 3.7Å
195P88.7Confident81.7Confident36 Ų3668.6 Ų68.623%0.23436%0.356CS..  trans-67.7130.2171.326.9-33.4000110.3D197 K230 Q246P195-D197 WeakPolarHBondContact CB-OD1 3.38Å; P195-K230 PolarHBondContact O-NZ 3.38Å; P195-Q246 VanDerWaalsContact CA-OE1 3.24Å
196M87.6Confident80.7Confident0 Ų066.3 Ų66.30%035%0.354CS..BIsolated β-bridgetrans-123.122.5177.3-64.3-65-73.900111.5T194 M227 K230 V231 I234 L247 I248 Y249 P252 F256T194-M196 HydrophobicContact CG2-CG 3.83Å; T194-M196 HydrophobicContact CG2-SD 3.73Å; T194-M196 PolarHBondContact O-N 3.45Å; M196-M227 HydrophobicContact CE-SD 4.47Å; M196-M227 HydrophobicContact SD-SD 4.44Å; M196-K230 HydrophobicContact SD-CD 4.27Å; M196-V231 HydrophobicContact CE-CG2 3.73Å; M196-I234 HydrophobicContact CE-CD1 4.11Å; M196-I234 HydrophobicContact SD-CD1 4.23Å; M196-L247 WeakPolarHBondContact CB-O 3.47Å; M196-I248 HydrophobicContact CB-CB 4.37Å; M196-I248 HydrophobicContact CB-CG1 4.2Å; M196-I248 HydrophobicContact CB-CG2 4.36Å; M196-I248 HydrophobicContact CG-CG1 4.35Å; M196-Y249 PolarHBondContact O-N 3.22Å; M196-P252 HydrophobicContact CE-CB 3.66Å; M196-P252 HydrophobicContact CE-CG 4.21Å; M196-F256 HydrophobicContact CE-CE2 3.67Å; M196-F256 HydrophobicContact CE-CZ 3.89Å
197D81.1Confident80Confident79 Ų7970.1 Ų70.142%0.42237%0.365SS..SBendtrans-99.4-55.5175.563.1-35.6000111P195 Y249P195-D197 WeakPolarHBondContact CB-OD1 3.38Å; D197-Y249 HydrophobicContact CB-CD1 4.4Å; D197-Y249 HydrophobicContact CB-CD2 3.44Å; D197-Y249 VanDerWaalsContact CB-CD2 3.44Å; D197-Y249 HydrophobicContact CB-CE1 4.35Å; D197-Y249 HydrophobicContact CB-CE2 3.38Å; D197-Y249 HydrophobicContact CB-CG 3.98Å
198A71.9Confident79.4Confident32 Ų3275.7 Ų75.726%0.26439%0.393SS..  trans-148.9129.6178.100000108.7K200A198-K200 HydrophobicContact CB-CG 3.98Å; A198-K200 PolarHBondContact O-N 2.93Å
199D66.1Low78.9Confident76 Ų7679.2 Ų79.241%0.40641%0.412SS..  trans-81.862.6174.3-15739.6000109.8I201 M227 K230D199-I201 PolarHBondContact O-N 3.44Å; D199-M227 HydrophobicContact CB-CE 4.4Å; D199-K230 IonicContact OD1-NZ 2.74Å
200K63.7Low78.5Confident162 Ų16281.6 Ų81.670%0.70443%0.426SS*.  trans-68.4132.9178.3-71.9-175.6-177.3173.30109.2A198 K202A198-K200 HydrophobicContact CB-CG 3.98Å; A198-K200 PolarHBondContact O-N 2.93Å; K200-K202 PolarHBondContact O-N 2.97Å
201I64.4Low78.2Confident109 Ų10989.9 Ų89.956%0.55947%0.47SS*.  trans-58.5124.1165.7-54.3172.8000106.4D199 V203D199-I201 PolarHBondContact O-N 3.44Å; I201-V203 HydrophobicContact CG2-CB 4.11Å; I201-V203 HydrophobicContact CG2-CG2 3.74Å; I201-V203 PolarHBondContact O-N 3.25Å
202K65Low77.9Confident193 Ų19391.9 Ų91.984%0.83949%0.488SS*.SBendtrans-65.316.7-178.5-66.8-174.5179178.40114.4K200 F204K200-K202 PolarHBondContact O-N 2.97Å; K202-F204 PolarHBondContact O-N 2.87Å
203V65.9Low77.7Confident93 Ų9399.2 Ų99.256%0.56453%0.525SS*.  trans-84.4100.2171.4179.70000107.7I201 G205 S206I201-V203 HydrophobicContact CG2-CB 4.11Å; I201-V203 HydrophobicContact CG2-CG2 3.74Å; I201-V203 PolarHBondContact O-N 3.25Å; V203-G205 PolarHBondContact O-N 2.93Å; V203-S206 PolarHBondContact O-N 3.46Å; V203-S206 PolarHBondContact O-OG 3.46Å
204F66.6Low77.6Confident210 Ų210101 Ų10192%0.92154%0.541SS*.THydrogen-bonded Turntrans-53.8130.4173.9-76.9-81.2000110.6K202K202-F204 PolarHBondContact O-N 2.87Å
205G68.8Low77.5Confident68 Ų68105.3 Ų105.370%0.70156%0.558SS**THydrogen-bonded Turntrans81.411.2177.200000115.2V203 K207V203-G205 PolarHBondContact O-N 2.93Å; G205-K207 PolarHBondContact O-N 3.39Å
206S71.6Confident77.4Confident73 Ų73106.7 Ų106.751%0.5157%0.566SS.*  trans-59.4109167.447.40000109.8V203V203-S206 PolarHBondContact O-N 3.46Å; V203-S206 PolarHBondContact O-OG 3.46Å
207K77.3Confident77.4Confident184 Ų184109 Ų10980%0.859%0.585SS**  trans-109.4127.3173.7-68.6-177.3-178-178.90107.7G205G205-K207 PolarHBondContact O-N 3.39Å
208I78.2Confident77.7Confident117 Ų117110 Ų11060%0.659%0.588SS**  trans-97.5111.9173.6-53.5176.4000106.6V210 L219I208-V210 HydrophobicContact CG2-CG2 3.95Å; I208-L219 HydrophobicContact CB-CD1 4.45Å; I208-L219 HydrophobicContact CD1-CD2 4.15Å; I208-L219 HydrophobicContact CG2-CD1 3.64Å; I208-L219 HydrophobicContact CG2-CD2 4.31Å
209Q82.8Confident78.4Confident183 Ų183111.5 Ų111.586%0.85559%0.59SS**  trans-91.9136.2171.8-71.2-176.7-18.400108.7
210V85.1Confident79.3Confident50 Ų50113.4 Ų113.430%0.30360%0.597SS.*  trans-133.6129.4-169.2-166.50000109.1I208 A212 K215 V216 L219I208-V210 HydrophobicContact CG2-CG2 3.95Å; V210-A212 VanDerWaalsContact CG1-O 3.3Å; V210-A212 WeakPolarHBondContact CG1-O 3.42Å; V210-K215 HydrophobicContact CG1-CB 3.06Å; V210-K215 HydrophobicContact CG1-CG 4.08Å; V210-V216 HydrophobicContact CB-CG2 4.17Å; V210-V216 HydrophobicContact CG1-CG2 4.14Å; V210-V216 HydrophobicContact CG2-CG2 4.3Å; V210-L219 HydrophobicContact CG2-CD1 3.54Å
211D88Confident80.5Confident175 Ų175111.2 Ų111.294%0.93659%0.592SS**SBendtrans-80.9-13.9-174.7-59.7-33.9000113.7
212A88.5Confident81.6Confident45 Ų45108.2 Ų108.237%0.37258%0.584SS.*SBendtrans-146.7149.2-176.900000112.5V210 S214 K215V210-A212 VanDerWaalsContact CG1-O 3.3Å; V210-A212 WeakPolarHBondContact CG1-O 3.42Å; A212-S214 VanDerWaalsContact C-N 3.27Å; A212-S214 PolarHBondContact O-N 3.46Å; A212-K215 PolarHBondContact O-N 2.69Å
213I88Confident82.5Confident154 Ų154104.9 Ų104.979%0.7957%0.571SS**Hα-helixtrans-61.2-35178.1-60.8172.6000111.6K215 V216 A217I213-K215 PolarHBondContact O-N 2.98Å; I213-V216 WeakPolarHBondContact O-CB 3.24Å; I213-V216 PolarHBondContact O-N 3.36Å; I213-A217 PolarHBondContact O-N 3.02Å
214S89.7Confident83.5Confident74 Ų74105.7 Ų105.752%0.51757%0.567SS.*Hα-helixtrans-57.5-37.4177.751.30000112.9A212 V216 A217 E218A212-S214 VanDerWaalsContact C-N 3.27Å; A212-S214 PolarHBondContact O-N 3.46Å; S214-V216 VanDerWaalsContact C-N 3.32Å; S214-V216 PolarHBondContact O-N 3.1Å; S214-A217 PolarHBondContact O-N 2.86Å; S214-E218 PolarHBondContact O-N 3.07Å; S214-E218 VanDerWaalsContact O-N 3.1Å
215K87.8Confident84.7Confident98 Ų9899.9 Ų99.943%0.42654%0.543SS..Hα-helixtrans-71.4-26.2177.8-70.5-57.9-175.6-160.70112.8V210 A212 I213 E218 L219V210-K215 HydrophobicContact CG1-CB 3.06Å; V210-K215 HydrophobicContact CG1-CG 4.08Å; A212-K215 PolarHBondContact O-N 2.69Å; I213-K215 PolarHBondContact O-N 2.98Å; K215-E218 WeakPolarHBondContact CD-OE2 3.3Å; K215-E218 IonicContact NZ-OE1 2.91Å; K215-E218 PolarHBondContact NZ-OE1 3.46Å; K215-E218 IonicContact NZ-OE2 2.68Å; K215-E218 PolarHBondContact NZ-OE2 3.17Å; K215-E218 PolarHBondContact O-N 3.02Å; K215-L219 VanDerWaalsContact O-CG 3.28Å; K215-L219 WeakPolarHBondContact O-CG 3.49Å; K215-L219 PolarHBondContact O-N 3.29Å
216V86.5Confident85.6Confident65 Ų65101.3 Ų101.339%0.39453%0.53SS..Hα-helixtrans-65.9-43.6171.2-177.60000110.2V210 I213 S214 E218 L219 E220V210-V216 HydrophobicContact CB-CG2 4.17Å; V210-V216 HydrophobicContact CG1-CG2 4.14Å; V210-V216 HydrophobicContact CG2-CG2 4.3Å; I213-V216 WeakPolarHBondContact O-CB 3.24Å; I213-V216 PolarHBondContact O-N 3.36Å; S214-V216 VanDerWaalsContact C-N 3.32Å; S214-V216 PolarHBondContact O-N 3.1Å; V216-E218 PolarHBondContact O-N 3.34Å; V216-L219 WeakPolarHBondContact O-CB 3.22Å; V216-L219 PolarHBondContact O-N 3.39Å; V216-L219 VanDerWaalsContact O-N 3.15Å; V216-E220 PolarHBondContact O-N 3.49Å
217A88Confident86.5Confident49 Ų4998.3 Ų98.341%0.40551%0.508SS..Hα-helixtrans-63.9-38.6175.600000112.5I213 S214 L219 E220 L221I213-A217 PolarHBondContact O-N 3.02Å; S214-A217 PolarHBondContact O-N 2.86Å; A217-L219 VanDerWaalsContact C-N 3.31Å; A217-L219 PolarHBondContact O-N 3.47Å; A217-E220 PolarHBondContact O-N 2.79Å; A217-L221 WeakPolarHBondContact O-CG 3.3Å; A217-L221 PolarHBondContact O-N 2.88Å
218E88.6Confident87.2Confident101 Ų10193.3 Ų93.347%0.47249%0.486SS..Hα-helixtrans-60.6-40.1172.3-70.7176.6-155.800112S214 K215 V216 L221 A222S214-E218 PolarHBondContact O-N 3.07Å; S214-E218 VanDerWaalsContact O-N 3.1Å; K215-E218 WeakPolarHBondContact CD-OE2 3.3Å; K215-E218 IonicContact NZ-OE1 2.91Å; K215-E218 PolarHBondContact NZ-OE1 3.46Å; K215-E218 IonicContact NZ-OE2 2.68Å; K215-E218 PolarHBondContact NZ-OE2 3.17Å; K215-E218 PolarHBondContact O-N 3.02Å; V216-E218 PolarHBondContact O-N 3.34Å; E218-L221 PolarHBondContact O-N 3.4Å; E218-A222 WeakPolarHBondContact O-CB 3.33Å; E218-A222 PolarHBondContact O-N 2.94Å
219L86Confident87.9Confident62 Ų6291.1 Ų91.133%0.32548%0.476SS..Hα-helixtrans-66.3-43.8177-72.3166.2000112I208 V210 K215 V216 A217 L221 A222 E223I208-L219 HydrophobicContact CB-CD1 4.45Å; I208-L219 HydrophobicContact CD1-CD2 4.15Å; I208-L219 HydrophobicContact CG2-CD1 3.64Å; I208-L219 HydrophobicContact CG2-CD2 4.31Å; V210-L219 HydrophobicContact CG2-CD1 3.54Å; K215-L219 VanDerWaalsContact O-CG 3.28Å; K215-L219 WeakPolarHBondContact O-CG 3.49Å; K215-L219 PolarHBondContact O-N 3.29Å; V216-L219 WeakPolarHBondContact O-CB 3.22Å; V216-L219 PolarHBondContact O-N 3.39Å; V216-L219 VanDerWaalsContact O-N 3.15Å; A217-L219 VanDerWaalsContact C-N 3.31Å; A217-L219 PolarHBondContact O-N 3.47Å; L219-L221 VanDerWaalsContact C-N 3.31Å; L219-L221 PolarHBondContact O-N 2.94Å; L219-A222 WeakPolarHBondContact O-CB 3.18Å; L219-A222 PolarHBondContact O-N 3.44Å; L219-A222 VanDerWaalsContact O-N 3.16Å; L219-E223 WeakPolarHBondContact O-CG 3.42Å; L219-E223 PolarHBondContact O-N 3.34Å
220E84.9Confident88.2Confident116 Ų11683.3 Ų83.354%0.54244%0.439SS..Hα-helixtrans-59.8-42.1175.5-72.3-176172.800111.8V216 A217 E223 K224V216-E220 PolarHBondContact O-N 3.49Å; A217-E220 PolarHBondContact O-N 2.79Å; E220-E223 PolarHBondContact O-N 3.22Å; E220-K224 WeakPolarHBondContact O-CG 3.45Å; E220-K224 PolarHBondContact O-N 3.2Å; E220-K224 VanDerWaalsContact O-N 3.09Å
221L88.6Confident88.6Confident116 Ų11681 Ų8161%0.60743%0.425SS*.Hα-helixtrans-65.7-39.5174.9-71.8174.2000111.8A217 E218 L219 K224 Q225A217-L221 WeakPolarHBondContact O-CG 3.3Å; A217-L221 PolarHBondContact O-N 2.88Å; E218-L221 PolarHBondContact O-N 3.4Å; L219-L221 VanDerWaalsContact C-N 3.31Å; L219-L221 PolarHBondContact O-N 2.94Å; L221-K224 PolarHBondContact O-N 2.9Å; L221-Q225 WeakPolarHBondContact O-CB 3.3Å; L221-Q225 PolarHBondContact O-N 3.42Å
222A87.3Confident88.8Confident46 Ų4675.5 Ų75.538%0.3840%0.396SS..Hα-helixtrans-64.9-39.1176.700000112.2E218 L219 Q225 K226E218-A222 WeakPolarHBondContact O-CB 3.33Å; E218-A222 PolarHBondContact O-N 2.94Å; L219-A222 WeakPolarHBondContact O-CB 3.18Å; L219-A222 PolarHBondContact O-N 3.44Å; L219-A222 VanDerWaalsContact O-N 3.16Å; A222-Q225 PolarHBondContact O-N 3.22Å; A222-K226 WeakPolarHBondContact O-CG 3.3Å; A222-K226 PolarHBondContact O-N 3.43Å
223E84.4Confident88.9Confident123 Ų12377.4 Ų77.458%0.57540%0.395SS*.Hα-helixtrans-64.2-44.1174.4-73.2-172.9160.400111.8L219 E220 Q225 K226 M227L219-E223 WeakPolarHBondContact O-CG 3.42Å; L219-E223 PolarHBondContact O-N 3.34Å; E220-E223 PolarHBondContact O-N 3.22Å; E223-Q225 VanDerWaalsContact C-N 3.33Å; E223-Q225 PolarHBondContact O-N 3.28Å; E223-K226 PolarHBondContact O-N 2.85Å; E223-M227 PolarHBondContact O-N 3.03Å; E223-M227 VanDerWaalsContact O-N 3.08Å
224K87.8Confident89.1Confident111 Ų11170 Ų7048%0.48336%0.358SS..Hα-helixtrans-61.7-40.5173.5-73.4-179.8-179177.50112.1E220 L221 M227 K228 Y251E220-K224 WeakPolarHBondContact O-CG 3.45Å; E220-K224 PolarHBondContact O-N 3.2Å; E220-K224 VanDerWaalsContact O-N 3.09Å; L221-K224 PolarHBondContact O-N 2.9Å; K224-M227 PolarHBondContact O-N 3.48Å; K224-K228 WeakPolarHBondContact O-CB 3.34Å; K224-K228 PolarHBondContact O-N 3.14Å; K224-Y251 HydrophobicContact CB-CE1 4.16Å; K224-Y251 HydrophobicContact CG-CE1 4.48Å; K224-Y251 WeakPolarHBondContact O-CE1 3.33Å
225Q91Very high89.1Confident88 Ų8868.7 Ų68.741%0.41134%0.344SS..Hα-helixtrans-66.9-43.1178.1-172.759.140.700111.5L221 A222 E223 M227 K228 D229L221-Q225 WeakPolarHBondContact O-CB 3.3Å; L221-Q225 PolarHBondContact O-N 3.42Å; A222-Q225 PolarHBondContact O-N 3.22Å; E223-Q225 VanDerWaalsContact C-N 3.33Å; E223-Q225 PolarHBondContact O-N 3.28Å; Q225-M227 VanDerWaalsContact C-N 3.28Å; Q225-M227 PolarHBondContact O-N 2.96Å; Q225-K228 CarbonylContact O-C 3.58Å; Q225-K228 WeakPolarHBondContact O-CB 3.44Å; Q225-K228 PolarHBondContact O-N 3.44Å; Q225-K228 VanDerWaalsContact O-N 3.11Å; Q225-D229 PolarHBondContact NE2-OD1 2.73Å; Q225-D229 PolarHBondContact O-N 3.33Å
226K88.3Confident89.3Confident97 Ų9770.8 Ų70.842%0.42235%0.354SS..Hα-helixtrans-57.1-43174.2-77.5179.4179-1790112.2A222 E223 K228 D229 K230A222-K226 WeakPolarHBondContact O-CG 3.3Å; A222-K226 PolarHBondContact O-N 3.43Å; E223-K226 PolarHBondContact O-N 2.85Å; K226-K228 VanDerWaalsContact C-N 3.35Å; K226-D229 PolarHBondContact O-N 3.32Å; K226-K230 WeakPolarHBondContact O-CB 3.44Å; K226-K230 PolarHBondContact O-N 3.45Å
227M89.5Confident89.4Confident10 Ų1068.2 Ų68.25%0.04934%0.337CS..Hα-helixtrans-65.3-41.5177.2-171.358.671.400111.4M196 D199 E223 K224 Q225 K230 V231 Y251 P252M196-M227 HydrophobicContact CE-SD 4.47Å; M196-M227 HydrophobicContact SD-SD 4.44Å; D199-M227 HydrophobicContact CB-CE 4.4Å; E223-M227 PolarHBondContact O-N 3.03Å; E223-M227 VanDerWaalsContact O-N 3.08Å; K224-M227 PolarHBondContact O-N 3.48Å; Q225-M227 VanDerWaalsContact C-N 3.28Å; Q225-M227 PolarHBondContact O-N 2.96Å; M227-K230 WeakPolarHBondContact O-CB 3.28Å; M227-K230 PolarHBondContact O-N 2.93Å; M227-K230 HydrophobicContact SD-CD 4.47Å; M227-V231 WeakPolarHBondContact O-CG2 3.43Å; M227-V231 PolarHBondContact O-N 3.47Å; M227-Y251 HydrophobicContact CB-CD1 4.4Å; M227-Y251 HydrophobicContact CB-CE1 4.39Å; M227-Y251 HydrophobicContact CG-CD1 4.22Å; M227-P252 HydrophobicContact CG-CG 3.49Å; M227-P252 VanDerWaalsContact CG-CG 3.49Å; M227-P252 HydrophobicContact SD-CG 3.65Å
228K92Very high89.4Confident79 Ų7971.7 Ų71.734%0.34335%0.349SS..Hα-helixtrans-61-47.2173.7-173.5178.6177.7179.60111.9K224 Q225 K226 K230 V231 D232 L255K224-K228 WeakPolarHBondContact O-CB 3.34Å; K224-K228 PolarHBondContact O-N 3.14Å; Q225-K228 CarbonylContact O-C 3.58Å; Q225-K228 WeakPolarHBondContact O-CB 3.44Å; Q225-K228 PolarHBondContact O-N 3.44Å; Q225-K228 VanDerWaalsContact O-N 3.11Å; K226-K228 VanDerWaalsContact C-N 3.35Å; K228-K230 PolarHBondContact O-N 3.19Å; K228-V231 PolarHBondContact O-N 2.81Å; K228-V231 VanDerWaalsContact O-N 3.13Å; K228-D232 WeakPolarHBondContact O-CB 3.42Å; K228-D232 VanDerWaalsContact O-CG 3.28Å; K228-D232 PolarHBondContact O-N 2.89Å; K228-L255 HydrophobicContact CB-CD1 4.18Å; K228-L255 HydrophobicContact CG-CD1 4.16Å
229D92Very high89.5Confident71 Ų7167.2 Ų67.238%0.3833%0.329SS..Hα-helixtrans-59.5-37.5177.4-63.7-23.8000111.4Q225 K226 D232 K233Q225-D229 PolarHBondContact NE2-OD1 2.73Å; Q225-D229 PolarHBondContact O-N 3.33Å; K226-D229 PolarHBondContact O-N 3.32Å; D229-D232 PolarHBondContact O-N 3.04Å; D229-K233 VanDerWaalsContact O-CG 3.32Å; D229-K233 WeakPolarHBondContact O-CG 3.44Å; D229-K233 PolarHBondContact O-N 3.34Å
230K91.1Very high89.8Confident20 Ų2065.9 Ų65.99%0.08733%0.325CS..Hα-helixtrans-66.2-45.3175.3-173.8176.9-176.2173.80111.8T194 P195 M196 D199 K226 M227 K228 D232 K233 I234T194-K230 VanDerWaalsContact OG1-CE 3.24Å; T194-K230 WeakPolarHBondContact OG1-CE 3.4Å; T194-K230 PolarHBondContact OG1-NZ 3.41Å; P195-K230 PolarHBondContact O-NZ 3.38Å; M196-K230 HydrophobicContact SD-CD 4.27Å; D199-K230 IonicContact OD1-NZ 2.74Å; K226-K230 WeakPolarHBondContact O-CB 3.44Å; K226-K230 PolarHBondContact O-N 3.45Å; M227-K230 WeakPolarHBondContact O-CB 3.28Å; M227-K230 PolarHBondContact O-N 2.93Å; M227-K230 HydrophobicContact SD-CD 4.47Å; K228-K230 PolarHBondContact O-N 3.19Å; K230-D232 VanDerWaalsContact C-N 3.34Å; K230-K233 WeakPolarHBondContact O-CB 3.44Å; K230-K233 PolarHBondContact O-N 3.41Å; K230-I234 WeakPolarHBondContact O-CG1 3.46Å; K230-I234 PolarHBondContact O-N 2.99Å; K230-I234 VanDerWaalsContact O-N 3.11Å
231V91.9Very high90.2Very high0 Ų060.4 Ų60.40%030%0.299CS..Hα-helixtrans-62.8-42.5173.9174.70000110.6M196 M227 K228 K233 I234 L235 P252 L255 F256M196-V231 HydrophobicContact CE-CG2 3.73Å; M227-V231 WeakPolarHBondContact O-CG2 3.43Å; M227-V231 PolarHBondContact O-N 3.47Å; K228-V231 PolarHBondContact O-N 2.81Å; K228-V231 VanDerWaalsContact O-N 3.13Å; V231-K233 VanDerWaalsContact C-N 3.28Å; V231-K233 PolarHBondContact O-N 3.12Å; V231-I234 CarbonylContact O-C 3.58Å; V231-I234 WeakPolarHBondContact O-CA 3.06Å; V231-I234 WeakPolarHBondContact O-CB 3.45Å; V231-I234 PolarHBondContact O-N 2.83Å; V231-L235 HydrophobicContact CG1-CD1 4.06Å; V231-L235 HydrophobicContact CG1-CG 4.19Å; V231-L235 WeakPolarHBondContact O-CG 3.33Å; V231-L235 PolarHBondContact O-N 2.8Å; V231-P252 HydrophobicContact CG2-CB 4.12Å; V231-L255 HydrophobicContact CB-CB 4.49Å; V231-L255 HydrophobicContact CB-CD1 4.1Å; V231-L255 HydrophobicContact CG1-CB 3.83Å; V231-L255 HydrophobicContact CG1-CD1 4.33Å; V231-L255 HydrophobicContact CG2-CD1 4.07Å; V231-F256 HydrophobicContact CG1-CD1 4.16Å; V231-F256 HydrophobicContact CG1-CE1 3.85Å; V231-F256 HydrophobicContact CG1-CZ 4.12Å; V231-F256 HydrophobicContact CG2-CE2 4.4Å; V231-F256 HydrophobicContact CG2-CZ 4.25Å
232D92.3Very high90.5Very high61 Ų6154.9 Ų54.933%0.32627%0.27SS..Hα-helixtrans-61.4-36.5176.6-70.7-20.7000111.6K228 D229 K230 L235 K236K228-D232 WeakPolarHBondContact O-CB 3.42Å; K228-D232 VanDerWaalsContact O-CG 3.28Å; K228-D232 PolarHBondContact O-N 2.89Å; D229-D232 PolarHBondContact O-N 3.04Å; K230-D232 VanDerWaalsContact C-N 3.34Å; D232-L235 PolarHBondContact O-N 3.37Å; D232-K236 WeakPolarHBondContact O-CG 3.47Å; D232-K236 PolarHBondContact O-N 3.28Å; D232-K236 VanDerWaalsContact O-N 3.09Å
233K91.4Very high90.8Very high84 Ų8452.7 Ų52.737%0.36525%0.252SS..Hα-helixtrans-62.2-42.1170.9-73.8175.2-175.5-1690111.9D229 K230 V231 K236 H237 F287 D288D229-K233 VanDerWaalsContact O-CG 3.32Å; D229-K233 WeakPolarHBondContact O-CG 3.44Å; D229-K233 PolarHBondContact O-N 3.34Å; K230-K233 WeakPolarHBondContact O-CB 3.44Å; K230-K233 PolarHBondContact O-N 3.41Å; V231-K233 VanDerWaalsContact C-N 3.28Å; V231-K233 PolarHBondContact O-N 3.12Å; K233-K236 WeakPolarHBondContact O-CB 3.39Å; K233-K236 PolarHBondContact O-N 3.39Å; K233-H237 PolarHBondContact O-CD2 3.48Å; K233-F287 HydrophobicContact CB-CB 4.13Å; K233-D288 WeakPolarHBondContact CE-OD1 3.49Å; K233-D288 IonicContact NZ-OD1 3.31Å; K233-D288 PolarHBondContact NZ-OD1 3.41Å
234I91.9Very high91.3Very high0 Ų046.8 Ų46.80%023%0.225CC..Hα-helixtrans-63.6-45.3176.4-65.6168.8000110.2L190 M196 K230 V231 K236 H237 F242 F256 F287L190-I234 HydrophobicContact CD2-CG2 3.84Å; M196-I234 HydrophobicContact CE-CD1 4.11Å; M196-I234 HydrophobicContact SD-CD1 4.23Å; K230-I234 WeakPolarHBondContact O-CG1 3.46Å; K230-I234 PolarHBondContact O-N 2.99Å; K230-I234 VanDerWaalsContact O-N 3.11Å; V231-I234 CarbonylContact O-C 3.58Å; V231-I234 WeakPolarHBondContact O-CA 3.06Å; V231-I234 WeakPolarHBondContact O-CB 3.45Å; V231-I234 PolarHBondContact O-N 2.83Å; I234-K236 VanDerWaalsContact C-N 3.26Å; I234-K236 PolarHBondContact O-N 3.39Å; I234-H237 WeakPolarHBondContact O-CB 3.39Å; I234-H237 PolarHBondContact O-CD2 3.16Å; I234-H237 PolarHBondContact O-N 3.17Å; I234-F242 HydrophobicContact CD1-CE2 3.9Å; I234-F242 HydrophobicContact CD1-CZ 3.83Å; I234-F242 HydrophobicContact CG1-CE2 4.42Å; I234-F242 HydrophobicContact CG2-CD2 3.66Å; I234-F242 HydrophobicContact CG2-CE2 3.87Å; I234-F242 HydrophobicContact CG2-CG 4.27Å; I234-F256 HydrophobicContact CB-CE1 4.45Å; I234-F256 HydrophobicContact CD1-CZ 4.09Å; I234-F256 HydrophobicContact CG2-CE1 3.88Å; I234-F256 HydrophobicContact CG2-CZ 4.17Å; I234-F287 HydrophobicContact CD1-CD2 4.34Å; I234-F287 HydrophobicContact CD1-CE2 4.18Å; I234-F287 HydrophobicContact CD1-CZ 4.28Å; I234-F287 HydrophobicContact CG1-CB 4.35Å; I234-F287 HydrophobicContact CG1-CD1 3.88Å; I234-F287 HydrophobicContact CG1-CD2 3.93Å; I234-F287 HydrophobicContact CG1-CE1 4.14Å; I234-F287 HydrophobicContact CG1-CE2 4.2Å; I234-F287 HydrophobicContact CG1-CG 3.77Å; I234-F287 HydrophobicContact CG1-CZ 4.29Å
235L90.8Very high91.5Very high46 Ų4645.3 Ų45.324%0.24122%0.216CC..Hα-helixtrans-62.3-31.1179-66.9176.2000112.8V231 D232 H237 N238 F256 A259 V261V231-L235 HydrophobicContact CG1-CD1 4.06Å; V231-L235 HydrophobicContact CG1-CG 4.19Å; V231-L235 WeakPolarHBondContact O-CG 3.33Å; V231-L235 PolarHBondContact O-N 2.8Å; D232-L235 PolarHBondContact O-N 3.37Å; L235-H237 PolarHBondContact O-N 2.79Å; L235-H237 VanDerWaalsContact O-N 3.15Å; L235-N238 PolarHBondContact O-N 3.37Å; L235-F256 HydrophobicContact CD2-CD1 4.29Å; L235-A259 HydrophobicContact CD1-CB 3.84Å; L235-A259 HydrophobicContact CD2-CB 3.66Å; L235-A259 HydrophobicContact CG-CB 4.43Å; L235-V261 HydrophobicContact CD2-CG2 3.65Å
236K91.5Very high91.5Very high142 Ų14244 Ų4462%0.61721%0.21SC*.THydrogen-bonded Turntrans-61.4-18.3173.9-74.2172.3-172.8178.80114.1D232 K233 I234 N238 P290D232-K236 WeakPolarHBondContact O-CG 3.47Å; D232-K236 PolarHBondContact O-N 3.28Å; D232-K236 VanDerWaalsContact O-N 3.09Å; K233-K236 WeakPolarHBondContact O-CB 3.39Å; K233-K236 PolarHBondContact O-N 3.39Å; I234-K236 VanDerWaalsContact C-N 3.26Å; I234-K236 PolarHBondContact O-N 3.39Å; K236-N238 PolarHBondContact O-N 3.04Å; K236-P290 HydrophobicContact CB-CG 4.38Å
237H88.1Confident91.7Very high10 Ų1043.3 Ų43.35%0.04621%0.21CC..THydrogen-bonded Turntrans-72-9.4173-67.5-99.5000112.9L190 K233 I234 L235 C239 F287 P290 S293L190-H237 HydrophobicContact CD2-CB 4.42Å; K233-H237 PolarHBondContact O-CD2 3.48Å; I234-H237 WeakPolarHBondContact O-CB 3.39Å; I234-H237 PolarHBondContact O-CD2 3.16Å; I234-H237 PolarHBondContact O-N 3.17Å; L235-H237 PolarHBondContact O-N 2.79Å; L235-H237 VanDerWaalsContact O-N 3.15Å; H237-C239 VanDerWaalsContact C-N 3.26Å; H237-C239 PolarHBondContact O-N 3.28Å; H237-F287 PolarHBondContact NE2-O 2.78Å; H237-F287 VanDerWaalsContact NE2-O 3.12Å; H237-P290 WeakPolarHBondContact CE1-CA 3.41Å; H237-P290 WeakPolarHBondContact ND1-CA 3.45Å; H237-S293 PolarHBondContact CE1-OG 3.2Å; H237-S293 PolarHBondContact ND1-OG 2.96Å
238N88.5Confident91.8Very high122 Ų12243.1 Ų43.165%0.65221%0.209SC*.  trans55.639.3-175-60-50.4000112.8L235 K236L235-N238 PolarHBondContact O-N 3.37Å; K236-N238 PolarHBondContact O-N 3.04Å
239C89.6Confident91.7Very high8 Ų845.5 Ų45.55%0.05422%0.217CC..  trans-80.4138.2172.759.80000110.7K188 L190 H237 V261K188-C239 WeakPolarHBondContact O-CA 3.38Å; L190-C239 HydrophobicContact CB-CB 3.83Å; H237-C239 VanDerWaalsContact C-N 3.26Å; H237-C239 PolarHBondContact O-N 3.28Å; C239-V261 WeakPolarHBondContact O-CG2 3.42Å
240S92.4Very high91.7Very high34 Ų3448.3 Ų48.324%0.23823%0.232CC..SBendtrans-89.5-23.8172.263.20000111.9A187 K188 M262A187-S240 VanDerWaalsContact CA-OG 3.3Å; A187-S240 WeakPolarHBondContact CA-OG 3.27Å; K188-S240 PolarHBondContact N-OG 2.9Å; K188-S240 PolarHBondContact O-N 3.4Å; K188-S240 PolarHBondContact O-OG 3.24Å; S240-M262 PolarHBondContact O-N 2.93Å
241V93.9Very high91.7Very high0 Ų051.3 Ų51.30%024%0.243CC..EExtended strand (participates in β ladder)trans-131.2131.5176.9-177.60000109.7V184 A187 K188 I189 L190 I243 M262 I264 I301V184-V241 HydrophobicContact CB-CG2 4.27Å; V184-V241 HydrophobicContact CG1-CG2 4.08Å; V184-V241 HydrophobicContact CG2-CG2 4.19Å; A187-V241 HydrophobicContact CB-CG2 4.05Å; K188-V241 PolarHBondContact O-N 3.43Å; K188-V241 VanDerWaalsContact O-N 3.11Å; I189-V241 WeakPolarHBondContact CA-O 3.5Å; I189-V241 HydrophobicContact CG1-CB 4.25Å; L190-V241 PolarHBondContact N-O 3.07Å; V241-I243 HydrophobicContact CG1-CD1 4.36Å; V241-I243 HydrophobicContact CG1-CG1 3.94Å; V241-M262 CarbonylContact C-O 3.06Å; V241-M262 VanDerWaalsContact CA-O 3.3Å; V241-M262 WeakPolarHBondContact CA-O 3.38Å; V241-M262 HydrophobicContact CB-CB 4.45Å; V241-M262 HydrophobicContact CG1-CB 4.28Å; V241-M262 HydrophobicContact CG1-CG 4.42Å; V241-M262 HydrophobicContact CG1-SD 4.21Å; V241-M262 HydrophobicContact CG2-CB 3.98Å; V241-M262 HydrophobicContact CG2-SD 4.3Å; V241-I264 HydrophobicContact CG1-CD1 4.07Å; V241-I301 HydrophobicContact CB-CD1 4.24Å; V241-I301 HydrophobicContact CG1-CD1 4.21Å; V241-I301 HydrophobicContact CG2-CD1 3.64Å
242F94.4Very high91.7Very high0 Ų051.4 Ų51.40%024%0.244CC..EExtended strand (participates in β ladder)trans-115.6117.9175.8177-109.1000109.1L190 A192 T194 I234 N244 I248 F256 V261 M262 A263 I264 F287L190-F242 HydrophobicContact CB-CD2 4.32Å; L190-F242 HydrophobicContact CD2-CD2 4Å; L190-F242 HydrophobicContact CD2-CE2 4.18Å; L190-F242 HydrophobicContact CG-CD2 4.26Å; A192-F242 HydrophobicContact CB-CD2 4.4Å; A192-F242 HydrophobicContact CB-CE2 3.42Å; A192-F242 VanDerWaalsContact CB-CE2 3.42Å; A192-F242 HydrophobicContact CB-CZ 3.72Å; T194-F242 HydrophobicContact CG2-CZ 4.47Å; I234-F242 HydrophobicContact CD1-CE2 3.9Å; I234-F242 HydrophobicContact CD1-CZ 3.83Å; I234-F242 HydrophobicContact CG1-CE2 4.42Å; I234-F242 HydrophobicContact CG2-CD2 3.66Å; I234-F242 HydrophobicContact CG2-CE2 3.87Å; I234-F242 HydrophobicContact CG2-CG 4.27Å; F242-N244 HydrophobicContact CE1-CB 3.75Å; F242-N244 HydrophobicContact CZ-CB 4.04Å; F242-I248 HydrophobicContact CD1-CD1 3.83Å; F242-I248 HydrophobicContact CE1-CD1 3.78Å; F242-F256 HydrophobicContact CB-CE1 4.41Å; F242-F256 HydrophobicContact CD1-CE1 4.22Å; F242-F256 AromaticContact CD1-CE2 3.77Å; F242-F256 HydrophobicContact CD1-CE2 3.77Å; F242-F256 AromaticContact CD1-CZ 3.58Å; F242-F256 HydrophobicContact CD1-CZ 3.58Å; F242-F256 AromaticContact CE1-CE2 3.97Å; F242-F256 HydrophobicContact CE1-CE2 3.97Å; F242-F256 AromaticContact CE1-CZ 3.81Å; F242-F256 HydrophobicContact CE1-CZ 3.81Å; F242-F256 HydrophobicContact CG-CE1 4.28Å; F242-F256 HydrophobicContact CG-CZ 4.04Å; F242-F256 HydrophobicContact CZ-CZ 4.47Å; F242-V261 HydrophobicContact CB-CG1 4.07Å; F242-M262 PolarHBondContact N-O 2.9Å; F242-A263 CarbonylContact O-C 3.6Å; F242-A263 WeakPolarHBondContact O-CA 3.28Å; F242-I264 PolarHBondContact O-N 2.63Å; F242-F287 HydrophobicContact CE2-CE1 4.4Å; F242-F287 HydrophobicContact CE2-CZ 4.48Å
243I94.6Very high91.7Very high0 Ų050.2 Ų50.20%024%0.236CC..EExtended strand (participates in β ladder)trans-112.6119178.8-50.4-174.1000107.9I189 L190 A192 V241 I264 A267 L275 F314I189-I243 HydrophobicContact CG2-CD1 3.59Å; I189-I243 HydrophobicContact CG2-CG1 3.85Å; L190-I243 PolarHBondContact O-N 3.14Å; A192-I243 PolarHBondContact N-O 3.32Å; V241-I243 HydrophobicContact CG1-CD1 4.36Å; V241-I243 HydrophobicContact CG1-CG1 3.94Å; I243-I264 WeakPolarHBondContact CA-O 3.38Å; I243-I264 HydrophobicContact CD1-CD1 4.03Å; I243-I264 HydrophobicContact CG1-CB 4.24Å; I243-I264 HydrophobicContact CG1-CD1 3.99Å; I243-I264 HydrophobicContact CG2-CB 4.24Å; I243-I264 HydrophobicContact CG2-CG2 4.33Å; I243-A267 HydrophobicContact CG2-CB 3.76Å; I243-L275 HydrophobicContact CD1-CD1 3.74Å; I243-L275 HydrophobicContact CD1-CD2 4.32Å; I243-L275 HydrophobicContact CG2-CD1 3.86Å; I243-F314 HydrophobicContact CD1-CE1 3.96Å; I243-F314 HydrophobicContact CD1-CZ 3.83Å
244N94.2Very high91.7Very high0 Ų051.6 Ų51.60%024%0.244CC..EExtended strand (participates in β ladder)trans-111.2139.3178.7-166.727.9000111.1A192 T194 F242 Q246 I248 I264 H266 A267A192-N244 WeakPolarHBondContact O-CA 3.35Å; A192-N244 PolarHBondContact O-OD1 3.25Å; T194-N244 PolarHBondContact N-OD1 3.45Å; T194-N244 VanDerWaalsContact N-OD1 3.1Å; T194-N244 PolarHBondContact O-ND2 2.81Å; T194-N244 PolarHBondContact O-OD1 3Å; F242-N244 HydrophobicContact CE1-CB 3.75Å; F242-N244 HydrophobicContact CZ-CB 4.04Å; N244-Q246 VanDerWaalsContact C-N 3.25Å; N244-Q246 PolarHBondContact ND2-O 3.23Å; N244-Q246 VanDerWaalsContact ND2-O 3.07Å; N244-Q246 PolarHBondContact O-N 2.93Å; N244-I248 HydrophobicContact CB-CD1 3.97Å; N244-I248 HydrophobicContact CB-CG1 4.07Å; N244-I264 PolarHBondContact N-O 3.5Å; N244-H266 PolarHBondContact O-N 2.9Å; N244-H266 VanDerWaalsContact O-N 3.14Å; N244-A267 PolarHBondContact O-N 2.62Å
245R92.7Very high91.7Very high79 Ų7952.9 Ų52.930%0.29825%0.251SS..SBendtrans-62.2-37.8170.6-165.1-174.168.7169.54.3112.1A192 N193 H266 A267 V272A192-R245 PolarHBondContact O-N 3.17Å; N193-R245 HydrophobicContact CB-CB 4.26Å; N193-R245 VanDerWaalsContact CG-NE 3.34Å; N193-R245 PolarHBondContact ND2-NH1 3.26Å; N193-R245 PolarHBondContact ND2-NH2 2.82Å; N193-R245 PolarHBondContact OD1-NE 3.23Å; N193-R245 PolarHBondContact OD1-NH2 3.14Å; R245-H266 WeakPolarHBondContact O-CA 3.21Å; R245-A267 VanDerWaalsContact CA-O 3.24Å; R245-A267 WeakPolarHBondContact CA-O 3.17Å; R245-A267 WeakPolarHBondContact CG-O 3.45Å; R245-V272 HydrophobicContact CB-CG2 3.92Å; R245-V272 HydrophobicContact CG-CG2 4.08Å
246Q91.2Very high91.9Very high62 Ų6250.7 Ų50.729%0.2924%0.24SC..SBendtrans-94.4168.3-176.7-54.6-176.233.100110.8N193 P195 N244 H266N193-Q246 PolarHBondContact OD1-NE2 2.94Å; N193-Q246 VanDerWaalsContact OD1-NE2 3.14Å; P195-Q246 VanDerWaalsContact CA-OE1 3.24Å; N244-Q246 VanDerWaalsContact C-N 3.25Å; N244-Q246 PolarHBondContact ND2-O 3.23Å; N244-Q246 VanDerWaalsContact ND2-O 3.07Å; N244-Q246 PolarHBondContact O-N 2.93Å; Q246-H266 PolarHBondContact O-N 2.94Å; Q246-H266 VanDerWaalsContact O-N 3.17Å
247L91.6Very high91.9Very high81 Ų8145 Ų4542%0.42422%0.219SC..  trans-62.1149.8173.6-67.3164.3000111.2M196 E265 H266M196-L247 WeakPolarHBondContact CB-O 3.47Å; L247-E265 WeakPolarHBondContact CA-OE2 3.25Å; L247-E265 WeakPolarHBondContact CD2-OE2 3.45Å; L247-H266 HydrophobicContact CD2-CB 3.89Å
248I91.5Very high92.1Very high6 Ų650.4 Ų50.43%0.03125%0.248CC..BIsolated β-bridgetrans-115.6111.7175.3-58.4175.9000106.9M196 F242 N244 P252 E253 F256 A263 E265M196-I248 HydrophobicContact CB-CB 4.37Å; M196-I248 HydrophobicContact CB-CG1 4.2Å; M196-I248 HydrophobicContact CB-CG2 4.36Å; M196-I248 HydrophobicContact CG-CG1 4.35Å; F242-I248 HydrophobicContact CD1-CD1 3.83Å; F242-I248 HydrophobicContact CE1-CD1 3.78Å; N244-I248 HydrophobicContact CB-CD1 3.97Å; N244-I248 HydrophobicContact CB-CG1 4.07Å; I248-P252 HydrophobicContact CG2-CB 3.8Å; I248-E253 HydrophobicContact CG2-CB 4.12Å; I248-F256 HydrophobicContact CG2-CD2 4.35Å; I248-F256 HydrophobicContact CG2-CE2 4.28Å; I248-A263 HydrophobicContact CD1-CB 3.92Å; I248-E265 HydrophobicContact CB-CB 3.99Å; I248-E265 HydrophobicContact CD1-CB 4.02Å; I248-E265 HydrophobicContact CG1-CB 3.76Å; I248-E265 PolarHBondContact N-OE2 3.49Å
249Y90.7Very high92.2Very high130 Ų13047 Ų4751%0.5124%0.237SC..  trans-71.3162.5-178.8-89.4-132.3000111.7M196 D197 Y251 P252 E253M196-Y249 PolarHBondContact O-N 3.22Å; D197-Y249 HydrophobicContact CB-CD1 4.4Å; D197-Y249 HydrophobicContact CB-CD2 3.44Å; D197-Y249 VanDerWaalsContact CB-CD2 3.44Å; D197-Y249 HydrophobicContact CB-CE1 4.35Å; D197-Y249 HydrophobicContact CB-CE2 3.38Å; D197-Y249 HydrophobicContact CB-CG 3.98Å; Y249-Y251 PolarHBondContact O-N 2.97Å; Y249-P252 WeakPolarHBondContact O-CD 3.48Å; Y249-E253 WeakPolarHBondContact O-CB 3.45Å; Y249-E253 PolarHBondContact O-N 3.35Å
250N90.9Very high92.3Very high130 Ų13048.8 Ų48.870%0.69526%0.257SS*.Hα-helixtrans-50-37.4-174.1-56.22.4000114.5Q254N250-Q254 WeakPolarHBondContact O-CB 3.18Å; N250-Q254 PolarHBondContact O-N 2.85Å
251Y91.1Very high92.3Very high82 Ų8247.6 Ų47.632%0.32225%0.248SC..Hα-helixtrans-71.6-52.7-176.9179-110.9000112.4K224 M227 Y249 E253 Q254 L255K224-Y251 HydrophobicContact CB-CE1 4.16Å; K224-Y251 HydrophobicContact CG-CE1 4.48Å; K224-Y251 WeakPolarHBondContact O-CE1 3.33Å; M227-Y251 HydrophobicContact CB-CD1 4.4Å; M227-Y251 HydrophobicContact CB-CE1 4.39Å; M227-Y251 HydrophobicContact CG-CD1 4.22Å; Y249-Y251 PolarHBondContact O-N 2.97Å; Y251-E253 VanDerWaalsContact C-N 3.31Å; Y251-E253 PolarHBondContact O-N 3.04Å; Y251-Q254 PolarHBondContact O-N 3.09Å; Y251-L255 HydrophobicContact CD1-CD1 4.41Å; Y251-L255 HydrophobicContact CE1-CD1 3.97Å; Y251-L255 WeakPolarHBondContact O-CG 3.17Å; Y251-L255 PolarHBondContact O-N 3.28Å; Y251-L255 VanDerWaalsContact O-N 3.15Å
252P92.1Very high92.3Very high3 Ų347.6 Ų47.62%0.01925%0.248CC..Hα-helixtrans-55.1-41.7167.1-31.436.7000114.8M196 M227 V231 I248 Y249 Q254 L255 F256M196-P252 HydrophobicContact CE-CB 3.66Å; M196-P252 HydrophobicContact CE-CG 4.21Å; M227-P252 HydrophobicContact CG-CG 3.49Å; M227-P252 VanDerWaalsContact CG-CG 3.49Å; M227-P252 HydrophobicContact SD-CG 3.65Å; V231-P252 HydrophobicContact CG2-CB 4.12Å; I248-P252 HydrophobicContact CG2-CB 3.8Å; Y249-P252 WeakPolarHBondContact O-CD 3.48Å; P252-Q254 VanDerWaalsContact C-N 3.3Å; P252-Q254 PolarHBondContact O-N 2.88Å; P252-L255 PolarHBondContact O-N 3.46Å; P252-L255 VanDerWaalsContact O-N 3.14Å; P252-F256 HydrophobicContact CB-CE2 4.4Å; P252-F256 WeakPolarHBondContact O-CD2 3.45Å; P252-F256 PolarHBondContact O-N 2.85Å
253E91.9Very high92.3Very high35 Ų3547.8 Ų47.816%0.16425%0.25CS..Hα-helixtrans-59.7-42.4179.3-170.3-173.1-177.900111.6G177 V178 Q180 I248 Y249 Y251 F256 A257G177-E253 WeakPolarHBondContact CA-OE1 3.37Å; V178-E253 PolarHBondContact N-OE1 3.27Å; Q180-E253 PolarHBondContact NE2-O 3.48Å; I248-E253 HydrophobicContact CG2-CB 4.12Å; Y249-E253 WeakPolarHBondContact O-CB 3.45Å; Y249-E253 PolarHBondContact O-N 3.35Å; Y251-E253 VanDerWaalsContact C-N 3.31Å; Y251-E253 PolarHBondContact O-N 3.04Å; E253-F256 PolarHBondContact O-N 2.7Å; E253-A257 PolarHBondContact O-N 3.46Å
254Q92.1Very high92.2Very high113 Ų11347.8 Ų47.853%0.52825%0.25SS..Hα-helixtrans-62-43.4173.9-176.5-178.3-6.600111.8N250 Y251 P252 F256 A257 D258N250-Q254 WeakPolarHBondContact O-CB 3.18Å; N250-Q254 PolarHBondContact O-N 2.85Å; Y251-Q254 PolarHBondContact O-N 3.09Å; P252-Q254 VanDerWaalsContact C-N 3.3Å; P252-Q254 PolarHBondContact O-N 2.88Å; Q254-F256 VanDerWaalsContact C-N 3.29Å; Q254-F256 PolarHBondContact O-N 3.07Å; Q254-A257 WeakPolarHBondContact O-CB 3.32Å; Q254-A257 PolarHBondContact O-N 3.48Å; Q254-A257 VanDerWaalsContact O-N 3.15Å; Q254-D258 PolarHBondContact O-N 2.84Å
255L93.1Very high92.1Very high27 Ų2751.4 Ų51.414%0.14127%0.267CS..Hα-helixtrans-62.7-36.7177.8-66.8172.7000112K228 V231 Y251 P252 A259K228-L255 HydrophobicContact CB-CD1 4.18Å; K228-L255 HydrophobicContact CG-CD1 4.16Å; V231-L255 HydrophobicContact CB-CB 4.49Å; V231-L255 HydrophobicContact CB-CD1 4.1Å; V231-L255 HydrophobicContact CG1-CB 3.83Å; V231-L255 HydrophobicContact CG1-CD1 4.33Å; V231-L255 HydrophobicContact CG2-CD1 4.07Å; Y251-L255 HydrophobicContact CD1-CD1 4.41Å; Y251-L255 HydrophobicContact CE1-CD1 3.97Å; Y251-L255 WeakPolarHBondContact O-CG 3.17Å; Y251-L255 PolarHBondContact O-N 3.28Å; Y251-L255 VanDerWaalsContact O-N 3.15Å; P252-L255 PolarHBondContact O-N 3.46Å; P252-L255 VanDerWaalsContact O-N 3.14Å; L255-A259 WeakPolarHBondContact O-CB 3.38Å; L255-A259 PolarHBondContact O-N 2.64Å; L255-A259 VanDerWaalsContact O-N 3.13Å
256F93.6Very high92Very high0 Ų051.6 Ų51.60%027%0.271CS..Hα-helixtrans-68.1-39.9172.8-70-58000112.3M196 V231 I234 L235 F242 I248 P252 E253 Q254 A259 G260 V261 A263M196-F256 HydrophobicContact CE-CE2 3.67Å; M196-F256 HydrophobicContact CE-CZ 3.89Å; V231-F256 HydrophobicContact CG1-CD1 4.16Å; V231-F256 HydrophobicContact CG1-CE1 3.85Å; V231-F256 HydrophobicContact CG1-CZ 4.12Å; V231-F256 HydrophobicContact CG2-CE2 4.4Å; V231-F256 HydrophobicContact CG2-CZ 4.25Å; I234-F256 HydrophobicContact CB-CE1 4.45Å; I234-F256 HydrophobicContact CD1-CZ 4.09Å; I234-F256 HydrophobicContact CG2-CE1 3.88Å; I234-F256 HydrophobicContact CG2-CZ 4.17Å; L235-F256 HydrophobicContact CD2-CD1 4.29Å; F242-F256 HydrophobicContact CB-CE1 4.41Å; F242-F256 HydrophobicContact CD1-CE1 4.22Å; F242-F256 AromaticContact CD1-CE2 3.77Å; F242-F256 HydrophobicContact CD1-CE2 3.77Å; F242-F256 AromaticContact CD1-CZ 3.58Å; F242-F256 HydrophobicContact CD1-CZ 3.58Å; F242-F256 AromaticContact CE1-CE2 3.97Å; F242-F256 HydrophobicContact CE1-CE2 3.97Å; F242-F256 AromaticContact CE1-CZ 3.81Å; F242-F256 HydrophobicContact CE1-CZ 3.81Å; F242-F256 HydrophobicContact CG-CE1 4.28Å; F242-F256 HydrophobicContact CG-CZ 4.04Å; F242-F256 HydrophobicContact CZ-CZ 4.47Å; I248-F256 HydrophobicContact CG2-CD2 4.35Å; I248-F256 HydrophobicContact CG2-CE2 4.28Å; P252-F256 HydrophobicContact CB-CE2 4.4Å; P252-F256 WeakPolarHBondContact O-CD2 3.45Å; P252-F256 PolarHBondContact O-N 2.85Å; E253-F256 PolarHBondContact O-N 2.7Å; Q254-F256 VanDerWaalsContact C-N 3.29Å; Q254-F256 PolarHBondContact O-N 3.07Å; F256-A259 CarbonylContact O-C 3.57Å; F256-A259 PolarHBondContact O-N 3.12Å; F256-G260 PolarHBondContact O-N 3.47Å; F256-V261 HydrophobicContact CB-CB 4.45Å; F256-V261 HydrophobicContact CD1-CB 4.2Å; F256-V261 HydrophobicContact CD1-CG1 4.16Å; F256-V261 PolarHBondContact O-N 3.02Å; F256-A263 HydrophobicContact CB-CB 4.07Å; F256-A263 HydrophobicContact CD2-CB 3.85Å; F256-A263 HydrophobicContact CG-CB 4.1Å
257A92Very high91.6Very high23 Ų2348.6 Ų48.619%0.1926%0.257CS..Hα-helixtrans-62.6-44.4175.500000111.9Q180 E253 Q254 A259 G260Q180-A257 HydrophobicContact CG-CB 3.94Å; E253-A257 PolarHBondContact O-N 3.46Å; Q254-A257 WeakPolarHBondContact O-CB 3.32Å; Q254-A257 PolarHBondContact O-N 3.48Å; Q254-A257 VanDerWaalsContact O-N 3.15Å; A257-A259 VanDerWaalsContact C-N 3.27Å; A257-A259 PolarHBondContact O-N 3.07Å; A257-G260 PolarHBondContact O-N 3.01Å
258D92.2Very high91.2Very high123 Ų12348.8 Ų48.866%0.65826%0.258SS*.Hα-helixtrans-63.2-33.2176.7-70.6-18.3000112Q254 G260Q254-D258 PolarHBondContact O-N 2.84Å; D258-G260 VanDerWaalsContact C-N 3.32Å
259A91.4Very high91Very high50 Ų5053.8 Ų53.841%0.41328%0.28SS..THydrogen-bonded Turntrans-81.4-7.2174.900000114L235 L255 F256 A257 V261L235-A259 HydrophobicContact CD1-CB 3.84Å; L235-A259 HydrophobicContact CD2-CB 3.66Å; L235-A259 HydrophobicContact CG-CB 4.43Å; L255-A259 WeakPolarHBondContact O-CB 3.38Å; L255-A259 PolarHBondContact O-N 2.64Å; L255-A259 VanDerWaalsContact O-N 3.13Å; F256-A259 CarbonylContact O-C 3.57Å; F256-A259 PolarHBondContact O-N 3.12Å; A257-A259 VanDerWaalsContact C-N 3.27Å; A257-A259 PolarHBondContact O-N 3.07Å; A259-V261 VanDerWaalsContact C-N 3.31Å; A259-V261 HydrophobicContact CB-CG2 4.25Å; A259-V261 PolarHBondContact O-N 3.43Å
260G90.6Very high90.8Very high46 Ų4652.3 Ų52.347%0.47428%0.278SS..THydrogen-bonded Turntrans71.620.4-176.400000114.7F256 A257 D258F256-G260 PolarHBondContact O-N 3.47Å; A257-G260 PolarHBondContact O-N 3.01Å; D258-G260 VanDerWaalsContact C-N 3.32Å
261V92.6Very high90.7Very high10 Ų1046.5 Ų46.56%0.06125%0.248CC..  trans-91.8131.4177.8176.90000109.6L235 C239 F242 F256 A259 A263L235-V261 HydrophobicContact CD2-CG2 3.65Å; C239-V261 WeakPolarHBondContact O-CG2 3.42Å; F242-V261 HydrophobicContact CB-CG1 4.07Å; F256-V261 HydrophobicContact CB-CB 4.45Å; F256-V261 HydrophobicContact CD1-CB 4.2Å; F256-V261 HydrophobicContact CD1-CG1 4.16Å; F256-V261 PolarHBondContact O-N 3.02Å; A259-V261 VanDerWaalsContact C-N 3.31Å; A259-V261 HydrophobicContact CB-CG2 4.25Å; A259-V261 PolarHBondContact O-N 3.43Å; V261-A263 PolarHBondContact O-N 3.35Å
262M93.5Very high90.7Very high0 Ų042.7 Ų42.70%023%0.234CC..EExtended strand (participates in β ladder)trans-74.5114172-177.8-168.2-79.400109.1P176 P181 V184 S240 V241 F242 I264 I301P176-M262 HydrophobicContact CB-CE 4.36Å; P176-M262 HydrophobicContact CB-CG 3.83Å; P176-M262 HydrophobicContact CB-SD 4.31Å; P181-M262 HydrophobicContact CG-CB 4.38Å; P181-M262 WeakPolarHBondContact O-CE 3.22Å; V184-M262 HydrophobicContact CG2-CB 4.26Å; V184-M262 HydrophobicContact CG2-CE 3.74Å; S240-M262 PolarHBondContact O-N 2.93Å; V241-M262 CarbonylContact C-O 3.06Å; V241-M262 VanDerWaalsContact CA-O 3.3Å; V241-M262 WeakPolarHBondContact CA-O 3.38Å; V241-M262 HydrophobicContact CB-CB 4.45Å; V241-M262 HydrophobicContact CG1-CB 4.28Å; V241-M262 HydrophobicContact CG1-CG 4.42Å; V241-M262 HydrophobicContact CG1-SD 4.21Å; V241-M262 HydrophobicContact CG2-CB 3.98Å; V241-M262 HydrophobicContact CG2-SD 4.3Å; F242-M262 PolarHBondContact N-O 2.9Å; M262-I264 HydrophobicContact CG-CG1 4.3Å; M262-I264 HydrophobicContact SD-CD1 4.08Å; M262-I264 HydrophobicContact SD-CG1 4.29Å; M262-I301 HydrophobicContact CE-CG2 4.12Å; M262-I301 HydrophobicContact SD-CG2 3.97Å
263A93.9Very high90.6Very high4 Ų446.4 Ų46.43%0.03325%0.251CS..EExtended strand (participates in β ladder)trans-97.3126.917300000109.9G177 Q180 F242 I248 F256 V261G177-A263 PolarHBondContact N-O 3Å; Q180-A263 PolarHBondContact OE1-O 3.23Å; F242-A263 CarbonylContact O-C 3.6Å; F242-A263 WeakPolarHBondContact O-CA 3.28Å; I248-A263 HydrophobicContact CD1-CB 3.92Å; F256-A263 HydrophobicContact CB-CB 4.07Å; F256-A263 HydrophobicContact CD2-CB 3.85Å; F256-A263 HydrophobicContact CG-CB 4.1Å; V261-A263 PolarHBondContact O-N 3.35Å
264I93.1Very high90.6Very high0 Ų046 Ų460%025%0.248CC..EExtended strand (participates in β ladder)trans-116116.8173.9-58169.4000106.7L172 K174 V241 F242 I243 N244 M262 L312 F314L172-I264 HydrophobicContact CD2-CD1 4.48Å; L172-I264 HydrophobicContact CD2-CG2 3.81Å; K174-I264 HydrophobicContact CB-CG2 3.89Å; K174-I264 HydrophobicContact CG-CG2 4.41Å; V241-I264 HydrophobicContact CG1-CD1 4.07Å; F242-I264 PolarHBondContact O-N 2.63Å; I243-I264 WeakPolarHBondContact CA-O 3.38Å; I243-I264 HydrophobicContact CD1-CD1 4.03Å; I243-I264 HydrophobicContact CG1-CB 4.24Å; I243-I264 HydrophobicContact CG1-CD1 3.99Å; I243-I264 HydrophobicContact CG2-CB 4.24Å; I243-I264 HydrophobicContact CG2-CG2 4.33Å; N244-I264 PolarHBondContact N-O 3.5Å; M262-I264 HydrophobicContact CG-CG1 4.3Å; M262-I264 HydrophobicContact SD-CD1 4.08Å; M262-I264 HydrophobicContact SD-CG1 4.29Å; I264-L312 HydrophobicContact CD1-CD1 3.38Å; I264-L312 HydrophobicContact CG1-CD1 3.76Å; I264-F314 HydrophobicContact CD1-CZ 4.05Å
265E92.3Very high90.6Very high75 Ų7540.6 Ų40.635%0.3522%0.222SC..  trans-96.9160.5179.566166.8-178.600112.5L247 I248 A267L247-E265 WeakPolarHBondContact CA-OE2 3.25Å; L247-E265 WeakPolarHBondContact CD2-OE2 3.45Å; I248-E265 HydrophobicContact CB-CB 3.99Å; I248-E265 HydrophobicContact CD1-CB 4.02Å; I248-E265 HydrophobicContact CG1-CB 3.76Å; I248-E265 PolarHBondContact N-OE2 3.49Å; E265-A267 PolarHBondContact O-N 2.87Å; E265-A267 VanDerWaalsContact O-N 3.14Å
266H90.2Very high90.5Very high83 Ų8340 Ų4038%0.38422%0.222SC..  trans53.238.6169.9-157.9179.6000113.7K174 N244 R245 Q246 L247 D268K174-H266 WeakPolarHBondContact CE-O 3.41Å; K174-H266 PolarHBondContact NZ-O 2.74Å; N244-H266 PolarHBondContact O-N 2.9Å; N244-H266 VanDerWaalsContact O-N 3.14Å; R245-H266 WeakPolarHBondContact O-CA 3.21Å; Q246-H266 PolarHBondContact O-N 2.94Å; Q246-H266 VanDerWaalsContact O-N 3.17Å; L247-H266 HydrophobicContact CD2-CB 3.89Å; H266-D268 IonicContact CD2-OD1 3.56Å; H266-D268 IonicContact NE2-OD1 3.96Å; H266-D268 PolarHBondContact O-N 3.11Å
267A83.9Confident90.2Very high0 Ų043.1 Ų43.10%024%0.238CC..  trans-68.4110.7162.600000106.3I243 N244 R245 E265 V272I243-A267 HydrophobicContact CG2-CB 3.76Å; N244-A267 PolarHBondContact O-N 2.62Å; R245-A267 VanDerWaalsContact CA-O 3.24Å; R245-A267 WeakPolarHBondContact CA-O 3.17Å; R245-A267 WeakPolarHBondContact CG-O 3.45Å; E265-A267 PolarHBondContact O-N 2.87Å; E265-A267 VanDerWaalsContact O-N 3.14Å; A267-V272 HydrophobicContact CB-CG2 3.68Å; A267-V272 VanDerWaalsContact O-CG2 3.25Å; A267-V272 WeakPolarHBondContact O-CG2 3.32Å
268D82.7Confident90.1Very high85 Ų8542 Ų4246%0.45523%0.229SC..  trans-54.9165.6-178-61-64.2000111.4K174 H266 E270 G271 V272K174-D268 IonicContact NZ-OD2 3.6Å; K174-D268 PolarHBondContact NZ-OD2 2.93Å; H266-D268 IonicContact CD2-OD1 3.56Å; H266-D268 IonicContact NE2-OD1 3.96Å; H266-D268 PolarHBondContact O-N 3.11Å; D268-E270 VanDerWaalsContact C-N 3.32Å; D268-E270 PolarHBondContact O-N 2.86Å; D268-G271 WeakPolarHBondContact O-CA 3.44Å; D268-G271 PolarHBondContact O-N 3.03Å; D268-V272 PolarHBondContact O-N 2.84Å
269F86.3Confident90Very high110 Ų11036.3 Ų36.348%0.48220%0.198SC..Hα-helixtrans-50.9-50.3-174-174.7-98.3000112.7G271 V272 E273F269-G271 VanDerWaalsContact C-N 3.31Å; F269-G271 PolarHBondContact O-N 2.64Å; F269-V272 PolarHBondContact O-N 2.8Å; F269-E273 HydrophobicContact CE1-CG 4.26Å; F269-E273 WeakPolarHBondContact CE1-OE1 3.29Å; F269-E273 HydrophobicContact CZ-CG 4.5Å; F269-E273 WeakPolarHBondContact CZ-OE1 3.34Å; F269-E273 PolarHBondContact O-N 3.27Å; F269-E273 VanDerWaalsContact O-N 3.15Å
270E88.1Confident89.9Confident100 Ų10034.2 Ų34.247%0.46718%0.182SC..Hα-helixtrans-61.4-37.2175.5-62.5172.8-15900112.8D268 V272 E273 R274D268-E270 VanDerWaalsContact C-N 3.32Å; D268-E270 PolarHBondContact O-N 2.86Å; E270-V272 VanDerWaalsContact C-N 3.34Å; E270-V272 PolarHBondContact O-N 3.32Å; E270-E273 PolarHBondContact O-N 3.11Å; E270-R274 WeakPolarHBondContact O-CB 3.47Å; E270-R274 WeakPolarHBondContact O-CG 3.21Å; E270-R274 PolarHBondContact O-N 3.23Å; E270-R274 IonicContact OE2-CZ 2.66Å; E270-R274 IonicContact OE2-NH1 2.65Å; E270-R274 PolarHBondContact OE2-NH1 3.13Å; E270-R274 IonicContact OE2-NH2 3.76Å; E270-R274 PolarHBondContact OE2-NH2 3.16Å
271G88.6Confident89.8Confident7 Ų732.5 Ų32.57%0.07216%0.164CC..Hα-helixtrans-63.8-41.1179.100000112D268 F269 L275D268-G271 WeakPolarHBondContact O-CA 3.44Å; D268-G271 PolarHBondContact O-N 3.03Å; F269-G271 VanDerWaalsContact C-N 3.31Å; F269-G271 PolarHBondContact O-N 2.64Å; G271-L275 WeakPolarHBondContact O-CB 3.39Å; G271-L275 WeakPolarHBondContact O-CD1 3.12Å; G271-L275 WeakPolarHBondContact O-CG 3.25Å; G271-L275 PolarHBondContact O-N 3.38Å
272V91.3Very high89.8Confident2 Ų237.3 Ų37.31%0.01219%0.186CC..Hα-helixtrans-67.5-41.6177.4175.20000111.2I191 R245 A267 D268 F269 E270 L275 A276 I283I191-V272 HydrophobicContact CG2-CB 4.39Å; I191-V272 HydrophobicContact CG2-CG1 3.3Å; R245-V272 HydrophobicContact CB-CG2 3.92Å; R245-V272 HydrophobicContact CG-CG2 4.08Å; A267-V272 HydrophobicContact CB-CG2 3.68Å; A267-V272 VanDerWaalsContact O-CG2 3.25Å; A267-V272 WeakPolarHBondContact O-CG2 3.32Å; D268-V272 PolarHBondContact O-N 2.84Å; F269-V272 PolarHBondContact O-N 2.8Å; E270-V272 VanDerWaalsContact C-N 3.34Å; E270-V272 PolarHBondContact O-N 3.32Å; V272-L275 PolarHBondContact O-N 3.35Å; V272-A276 PolarHBondContact O-N 3.11Å; V272-I283 HydrophobicContact CG1-CB 4.49Å; V272-I283 HydrophobicContact CG1-CD1 3.67Å; V272-I283 HydrophobicContact CG1-CG1 3.78Å; V272-I283 HydrophobicContact CG1-CG2 3.94Å
273E90.5Very high89.7Confident81 Ų8140.2 Ų40.238%0.37920%0.201SC..Hα-helixtrans-65-45.2175.7-70.4-174.1154.300112.1F269 E270 L275 A276 L277 I283F269-E273 HydrophobicContact CE1-CG 4.26Å; F269-E273 WeakPolarHBondContact CE1-OE1 3.29Å; F269-E273 HydrophobicContact CZ-CG 4.5Å; F269-E273 WeakPolarHBondContact CZ-OE1 3.34Å; F269-E273 PolarHBondContact O-N 3.27Å; F269-E273 VanDerWaalsContact O-N 3.15Å; E270-E273 PolarHBondContact O-N 3.11Å; E273-L275 VanDerWaalsContact C-N 3.34Å; E273-L275 PolarHBondContact O-N 2.83Å; E273-A276 WeakPolarHBondContact O-CB 3.48Å; E273-A276 PolarHBondContact O-N 2.92Å; E273-L277 WeakPolarHBondContact O-CG 3.33Å; E273-L277 PolarHBondContact O-N 3.01Å; E273-I283 HydrophobicContact CG-CD1 4.04Å
274R90.8Very high89.6Confident26 Ų2640.8 Ų40.810%0.09820%0.204CC..Hα-helixtrans-58.8-45.4174-71.3168.6-174.7134.513.1111.3D149 F170 E270 A276 L277 V278 A322D149-R274 VanDerWaalsContact O-CZ 3.26Å; D149-R274 PolarHBondContact O-NE 2.95Å; D149-R274 PolarHBondContact O-NH2 3.34Å; F170-R274 HydrophobicContact CE1-CB 4.39Å; F170-R274 HydrophobicContact CE2-CB 3.65Å; F170-R274 HydrophobicContact CE2-CG 4.2Å; F170-R274 HydrophobicContact CZ-CB 3.47Å; F170-R274 VanDerWaalsContact CZ-CB 3.47Å; F170-R274 HydrophobicContact CZ-CG 4.2Å; E270-R274 WeakPolarHBondContact O-CB 3.47Å; E270-R274 WeakPolarHBondContact O-CG 3.21Å; E270-R274 PolarHBondContact O-N 3.23Å; E270-R274 IonicContact OE2-CZ 2.66Å; E270-R274 IonicContact OE2-NH1 2.65Å; E270-R274 PolarHBondContact OE2-NH1 3.13Å; E270-R274 IonicContact OE2-NH2 3.76Å; E270-R274 PolarHBondContact OE2-NH2 3.16Å; R274-A276 VanDerWaalsContact C-N 3.3Å; R274-A276 PolarHBondContact O-N 3.09Å; R274-L277 PolarHBondContact O-N 3.38Å; R274-V278 WeakPolarHBondContact O-CB 3.38Å; R274-V278 VanDerWaalsContact O-CG2 3.22Å; R274-V278 WeakPolarHBondContact O-CG2 3.37Å; R274-V278 PolarHBondContact O-N 3.21Å; R274-A322 HydrophobicContact CB-CB 4.24Å; R274-A322 HydrophobicContact CG-CB 4.46Å
275L91.3Very high89.4Confident0 Ų043.8 Ų43.80%023%0.225CC..Hα-helixtrans-62.6-36.7177.2-74.8165.5000112.3F170 L172 I191 I243 G271 V272 E273 V278 T279 F314F170-L275 HydrophobicContact CD1-CD2 3.77Å; F170-L275 HydrophobicContact CD1-CG 4.38Å; F170-L275 HydrophobicContact CE1-CD2 3.95Å; F170-L275 HydrophobicContact CE1-CG 4.07Å; L172-L275 HydrophobicContact CD1-CD1 4.26Å; L172-L275 HydrophobicContact CD2-CD1 4.09Å; I191-L275 HydrophobicContact CD1-CB 3.94Å; I243-L275 HydrophobicContact CD1-CD1 3.74Å; I243-L275 HydrophobicContact CD1-CD2 4.32Å; I243-L275 HydrophobicContact CG2-CD1 3.86Å; G271-L275 WeakPolarHBondContact O-CB 3.39Å; G271-L275 WeakPolarHBondContact O-CD1 3.12Å; G271-L275 WeakPolarHBondContact O-CG 3.25Å; G271-L275 PolarHBondContact O-N 3.38Å; V272-L275 PolarHBondContact O-N 3.35Å; E273-L275 VanDerWaalsContact C-N 3.34Å; E273-L275 PolarHBondContact O-N 2.83Å; L275-V278 PolarHBondContact O-N 3.11Å; L275-T279 VanDerWaalsContact O-CB 3.3Å; L275-T279 WeakPolarHBondContact O-CB 3.44Å; L275-T279 VanDerWaalsContact O-CG2 3.27Å; L275-T279 WeakPolarHBondContact O-CG2 3.33Å; L275-T279 PolarHBondContact O-N 3.13Å; L275-T279 PolarHBondContact O-OG1 3.37Å; L275-F314 HydrophobicContact CD2-CD1 4.35Å; L275-F314 HydrophobicContact CD2-CD2 4.24Å; L275-F314 HydrophobicContact CD2-CE1 4.03Å; L275-F314 HydrophobicContact CD2-CE2 3.92Å; L275-F314 HydrophobicContact CD2-CG 4.46Å; L275-F314 HydrophobicContact CD2-CZ 3.81Å
276A91.1Very high89.1Confident16 Ų1644.9 Ų44.913%0.13224%0.237CC..Hα-helixtrans-62.2-44.8174.200000111.3I191 V272 E273 R274 G280 G281 I283I191-A276 HydrophobicContact CD1-CB 4.12Å; V272-A276 PolarHBondContact O-N 3.11Å; E273-A276 WeakPolarHBondContact O-CB 3.48Å; E273-A276 PolarHBondContact O-N 2.92Å; R274-A276 VanDerWaalsContact C-N 3.3Å; R274-A276 PolarHBondContact O-N 3.09Å; A276-G280 CarbonylContact O-C 3.58Å; A276-G280 VanDerWaalsContact O-CA 3.22Å; A276-G280 WeakPolarHBondContact O-CA 3.49Å; A276-G280 PolarHBondContact O-N 3.01Å; A276-G281 WeakPolarHBondContact CB-O 3.47Å; A276-G281 PolarHBondContact O-N 3.31Å; A276-I283 HydrophobicContact CB-CG1 4.21Å
277L88.4Confident89Confident64 Ų6441.4 Ų41.434%0.33522%0.22SC..Hα-helixtrans-67.4-34.9177-67.1175.4000113.5A150 E273 R274 M319 E321 A322A150-L277 HydrophobicContact CB-CD1 4.12Å; E273-L277 WeakPolarHBondContact O-CG 3.33Å; E273-L277 PolarHBondContact O-N 3.01Å; R274-L277 PolarHBondContact O-N 3.38Å; L277-M319 VanDerWaalsContact O-CB 3.3Å; L277-M319 WeakPolarHBondContact O-CB 3.47Å; L277-E321 HydrophobicContact CB-CB 4.4Å; L277-A322 HydrophobicContact CB-CB 4.03Å
278V89.9Confident89Confident0 Ų046.1 Ų46.10%025%0.246CC..Hα-helixtrans-73.8-51.6179.3170.60000111F170 R274 L275 V317 M319 A322F170-V278 HydrophobicContact CB-CB 4.39Å; F170-V278 HydrophobicContact CB-CG1 3.82Å; F170-V278 HydrophobicContact CB-CG2 3.84Å; F170-V278 HydrophobicContact CD2-CG2 3.69Å; F170-V278 HydrophobicContact CE2-CG2 4.45Å; F170-V278 HydrophobicContact CG-CG2 3.84Å; R274-V278 WeakPolarHBondContact O-CB 3.38Å; R274-V278 VanDerWaalsContact O-CG2 3.22Å; R274-V278 WeakPolarHBondContact O-CG2 3.37Å; R274-V278 PolarHBondContact O-N 3.21Å; L275-V278 PolarHBondContact O-N 3.11Å; V278-V317 HydrophobicContact CG1-CB 3.5Å; V278-V317 HydrophobicContact CG1-CG1 3.26Å; V278-V317 HydrophobicContact CG1-CG2 3.95Å; V278-M319 PolarHBondContact O-N 3.16Å; V278-A322 HydrophobicContact CG2-CB 3.54Å; V278-A322 WeakPolarHBondContact CG2-O 3.32Å
279T90.3Very high89.1Confident3 Ų345.4 Ų45.42%0.01825%0.248CC..Hα-helixtrans-87.7-14.5-170.867.90000113I189 L275 G281 G296 H297I189-T279 HydrophobicContact CD1-CG2 3.41Å; I189-T279 VanDerWaalsContact CD1-CG2 3.41Å; L275-T279 VanDerWaalsContact O-CB 3.3Å; L275-T279 WeakPolarHBondContact O-CB 3.44Å; L275-T279 VanDerWaalsContact O-CG2 3.27Å; L275-T279 WeakPolarHBondContact O-CG2 3.33Å; L275-T279 PolarHBondContact O-N 3.13Å; L275-T279 PolarHBondContact O-OG1 3.37Å; T279-G281 VanDerWaalsContact C-N 3.26Å; T279-G281 PolarHBondContact O-N 3.31Å; T279-G281 PolarHBondContact OG1-N 2.97Å; T279-G296 WeakPolarHBondContact O-CA 3.44Å; T279-H297 PolarHBondContact O-N 3.37Å
280G88.3Confident88.8Confident7 Ų742.7 Ų42.77%0.07224%0.241CC..  trans74.610.3-175.600000114.6A276 K294A276-G280 CarbonylContact O-C 3.58Å; A276-G280 VanDerWaalsContact O-CA 3.22Å; A276-G280 WeakPolarHBondContact O-CA 3.49Å; A276-G280 PolarHBondContact O-N 3.01Å; G280-K294 VanDerWaalsContact O-CD 3.3Å; G280-K294 WeakPolarHBondContact O-CD 3.27Å; G280-K294 WeakPolarHBondContact O-CE 3.49Å; G280-K294 PolarHBondContact O-NZ 3.38Å
281G89.4Confident88.3Confident9 Ų947.2 Ų47.29%0.09326%0.262CS..  trans-80.5160.7178.200000113.3A276 T279 K294A276-G281 WeakPolarHBondContact CB-O 3.47Å; A276-G281 PolarHBondContact O-N 3.31Å; T279-G281 VanDerWaalsContact C-N 3.26Å; T279-G281 PolarHBondContact O-N 3.31Å; T279-G281 PolarHBondContact OG1-N 2.97Å; G281-K294 WeakPolarHBondContact CA-O 3.26Å
282E91.4Very high87.8Confident112 Ų11252.1 Ų52.152%0.52329%0.291SS..  trans-99.5149.3174.7-172.3178.3176.200111V284 K294E282-V284 PolarHBondContact O-N 3Å; E282-K294 HydrophobicContact CB-CB 4.22Å; E282-K294 PolarHBondContact N-O 3.02Å
283I92.5Very high87.3Confident61 Ų6152.9 Ų52.931%0.31330%0.296SS..EExtended strand (participates in β ladder)trans-80.9109175.5-52.7175.3000109.1I191 N193 V272 E273 A276I191-I283 HydrophobicContact CG2-CG1 4.09Å; N193-I283 HydrophobicContact CB-CG2 4.09Å; V272-I283 HydrophobicContact CG1-CB 4.49Å; V272-I283 HydrophobicContact CG1-CD1 3.67Å; V272-I283 HydrophobicContact CG1-CG1 3.78Å; V272-I283 HydrophobicContact CG1-CG2 3.94Å; E273-I283 HydrophobicContact CG-CD1 4.04Å; A276-I283 HydrophobicContact CB-CG1 4.21Å
284V92Very high87.2Confident15 Ų1554.3 Ų54.39%0.09130%0.301CS..EExtended strand (participates in β ladder)trans-102.9137.1-174-176.70000111.4L190 I191 A192 N193 E282 T286 F287L190-V284 HydrophobicContact CD1-CB 4.36Å; L190-V284 HydrophobicContact CD1-CG2 4.21Å; I191-V284 PolarHBondContact O-N 2.92Å; A192-V284 CarbonylContact C-O 3.54Å; A192-V284 WeakPolarHBondContact CA-O 3.31Å; N193-V284 PolarHBondContact N-O 3Å; E282-V284 PolarHBondContact O-N 3Å; V284-T286 WeakPolarHBondContact CG1-O 3.13Å; V284-F287 HydrophobicContact CG1-CD1 4.24Å; V284-F287 HydrophobicContact CG1-CE1 4.23Å
285S88.1Confident87.2Confident64 Ų6455.5 Ų55.545%0.44831%0.309SS..SBendtrans-110.9-20.4172.8-58.50000113.5N193N193-S285 PolarHBondContact O-OG 3.04Å
286T85.9Confident87.2Confident97 Ų9755.6 Ų55.660%0.59531%0.31SS*.  trans-121.2128.9-174.9-53.70000109.5V284 D288V284-T286 WeakPolarHBondContact CG1-O 3.13Å; T286-D288 HydrophobicContact CG2-CB 4.44Å; T286-D288 WeakPolarHBondContact CG2-OD2 3.38Å
287F87.7Confident87.2Confident10 Ų1058.6 Ų58.64%0.04432%0.321CS..  trans-110.69.4-170.5-50.5-74.1000114.1L190 A192 T194 K233 I234 H237 F242 V284 S289L190-F287 HydrophobicContact CD2-CD1 4.1Å; L190-F287 HydrophobicContact CD2-CE1 4.06Å; A192-F287 HydrophobicContact CB-CE1 3.98Å; A192-F287 HydrophobicContact CB-CZ 3.86Å; T194-F287 HydrophobicContact CG2-CE2 3.65Å; T194-F287 HydrophobicContact CG2-CZ 3.7Å; K233-F287 HydrophobicContact CB-CB 4.13Å; I234-F287 HydrophobicContact CD1-CD2 4.34Å; I234-F287 HydrophobicContact CD1-CE2 4.18Å; I234-F287 HydrophobicContact CD1-CZ 4.28Å; I234-F287 HydrophobicContact CG1-CB 4.35Å; I234-F287 HydrophobicContact CG1-CD1 3.88Å; I234-F287 HydrophobicContact CG1-CD2 3.93Å; I234-F287 HydrophobicContact CG1-CE1 4.14Å; I234-F287 HydrophobicContact CG1-CE2 4.2Å; I234-F287 HydrophobicContact CG1-CG 3.77Å; I234-F287 HydrophobicContact CG1-CZ 4.29Å; H237-F287 PolarHBondContact NE2-O 2.78Å; H237-F287 VanDerWaalsContact NE2-O 3.12Å; F242-F287 HydrophobicContact CE2-CE1 4.4Å; F242-F287 HydrophobicContact CE2-CZ 4.48Å; V284-F287 HydrophobicContact CG1-CD1 4.24Å; V284-F287 HydrophobicContact CG1-CE1 4.23Å; F287-S289 VanDerWaalsContact C-N 3.33Å; F287-S289 PolarHBondContact O-N 3.26Å
288D85.3Confident87.4Confident100 Ų10055.6 Ų55.654%0.53531%0.305SS..SBendtrans-69-29.5-172.3-65.3-46.6000113.5K233 T286K233-D288 WeakPolarHBondContact CE-OD1 3.49Å; K233-D288 IonicContact NZ-OD1 3.31Å; K233-D288 PolarHBondContact NZ-OD1 3.41Å; T286-D288 HydrophobicContact CG2-CB 4.44Å; T286-D288 WeakPolarHBondContact CG2-OD2 3.38Å
289S83.8Confident87.5Confident70 Ų7059.5 Ų59.549%0.4933%0.326SS..  trans-122.295.8-176.1-60.50000111.2F287 E291 T292F287-S289 VanDerWaalsContact C-N 3.33Å; F287-S289 PolarHBondContact O-N 3.26Å; S289-E291 PolarHBondContact O-N 2.97Å; S289-T292 WeakPolarHBondContact CB-OG1 3.37Å; S289-T292 PolarHBondContact O-N 3.13Å; S289-T292 PolarHBondContact O-OG1 3.13Å
290P79.3Confident87.7Confident52 Ų5261 Ų6134%0.33833%0.334SS..THydrogen-bonded Turntrans-60.9-27.8178.3-25.935.3000115.5K236 H237 T292 S293K236-P290 HydrophobicContact CB-CG 4.38Å; H237-P290 WeakPolarHBondContact CE1-CA 3.41Å; H237-P290 WeakPolarHBondContact ND1-CA 3.45Å; P290-T292 VanDerWaalsContact C-N 3.29Å; P290-T292 PolarHBondContact O-N 2.91Å; P290-S293 PolarHBondContact O-OG 3.03Å; P290-S293 VanDerWaalsContact O-OG 3.12Å
291E77.7Confident87.9Confident195 Ų19560.7 Ų60.791%0.91133%0.331SS*.THydrogen-bonded Turntrans-71.2-23.9-175.8-60.5178.7-173.200113.3S289S289-E291 PolarHBondContact O-N 2.97Å
292T79.8Confident88.1Confident111 Ų11162.6 Ų62.668%0.68134%0.337SS*.THydrogen-bonded Turntrans-89.7-20.2-17648.30000113.7S289 P290S289-T292 WeakPolarHBondContact CB-OG1 3.37Å; S289-T292 PolarHBondContact O-N 3.13Å; S289-T292 PolarHBondContact O-OG1 3.13Å; P290-T292 VanDerWaalsContact C-N 3.29Å; P290-T292 PolarHBondContact O-N 2.91Å
293S80.7Confident88.1Confident17 Ų1759.4 Ų59.412%0.11932%0.322CS..SBendtrans-88.9121.2-174.8420000111.9H237 P290 L295H237-S293 PolarHBondContact CE1-OG 3.2Å; H237-S293 PolarHBondContact ND1-OG 2.96Å; P290-S293 PolarHBondContact O-OG 3.03Å; P290-S293 VanDerWaalsContact O-OG 3.12Å; S293-L295 PolarHBondContact O-N 3.34Å
294K88.3Confident88.1Confident111 Ų11157.3 Ų57.348%0.48331%0.312SS..  trans-75.9109.4173.6-168.2-177.5-179.7-154.20110.5G280 G281 E282G280-K294 VanDerWaalsContact O-CD 3.3Å; G280-K294 WeakPolarHBondContact O-CD 3.27Å; G280-K294 WeakPolarHBondContact O-CE 3.49Å; G280-K294 PolarHBondContact O-NZ 3.38Å; G281-K294 WeakPolarHBondContact CA-O 3.26Å; E282-K294 HydrophobicContact CB-CB 4.22Å; E282-K294 PolarHBondContact N-O 3.02Å
295L90.3Very high88Confident51 Ų5160.9 Ų60.927%0.26733%0.334SS..  trans-73.8142.1173.5-61.6175.9000110.6L190 S293L190-L295 HydrophobicContact CB-CD2 3.84Å; L190-L295 HydrophobicContact CD1-CD2 3.63Å; L190-L295 HydrophobicContact CG-CD2 4.29Å; S293-L295 PolarHBondContact O-N 3.34Å
296G91.1Very high88Confident2 Ų258.4 Ų58.42%0.02132%0.316CS..EExtended strand (participates in β ladder)trans-76.1156.2169.100000111.3I189 T279I189-G296 PolarHBondContact N-O 2.97Å; I189-G296 PolarHBondContact O-N 3.49Å; T279-G296 WeakPolarHBondContact O-CA 3.44Å
297H92Very high87.9Confident80 Ų8055.9 Ų55.937%0.3731%0.309SS..EExtended strand (participates in β ladder)trans-131.7141.4177.8-175.753.6000111.5A187 T279 D299A187-H297 WeakPolarHBondContact O-CA 3.31Å; A187-H297 PolarHBondContact O-ND1 2.98Å; A187-H297 VanDerWaalsContact O-ND1 3.12Å; T279-H297 PolarHBondContact O-N 3.37Å; H297-D299 IonicContact NE2-OD1 2.71Å
298C91.8Very high87.8Confident0 Ų064.5 Ų64.50%035%0.349CS..EExtended strand (participates in β ladder)trans-150.9155.5163.671.10000111.2N186 A187 I189 I301 G316 V317N186-C298 CarbonylContact C-O 3.51Å; A187-C298 PolarHBondContact N-O 2.73Å; A187-C298 PolarHBondContact O-N 3.4Å; I189-C298 HydrophobicContact CD1-CB 4.36Å; C298-I301 WeakPolarHBondContact SG-CG1 3.46Å; C298-G316 VanDerWaalsContact CA-O 3.28Å; C298-G316 WeakPolarHBondContact CA-O 3.33Å; C298-V317 HydrophobicContact CB-CG1 4.31Å
299D92.4Very high87.9Confident83 Ų8363 Ų6344%0.44434%0.341SS..EExtended strand (participates in β ladder)trans-73.9-39.2-174.6-63.2-23.1000112.7E185 N186 H297 S315 G316E185-D299 CarbonylContact C-O 3.59Å; E185-D299 WeakPolarHBondContact CA-O 3.21Å; N186-D299 PolarHBondContact N-O 3.05Å; H297-D299 IonicContact NE2-OD1 2.71Å; D299-S315 PolarHBondContact N-O 2.85Å; D299-S315 VanDerWaalsContact N-O 3.14Å; D299-G316 PolarHBondContact N-O 3.27Å; D299-G316 VanDerWaalsContact OD2-CA 3.31Å; D299-G316 WeakPolarHBondContact OD2-CA 3.48Å
300L93.1Very high88.2Confident34 Ų3462.9 Ų62.918%0.17833%0.332CS..EExtended strand (participates in β ladder)trans-147.8128.6-176.2179.969000111.4R183 V184 E185 E302 S315R183-L300 HydrophobicContact CG-CD1 3.77Å; V184-L300 WeakPolarHBondContact O-CA 3.34Å; E185-L300 HydrophobicContact CG-CD1 3.88Å; L300-E302 HydrophobicContact CD2-CG 4.32Å; L300-E302 HydrophobicContact CG-CG 4.43Å; L300-S315 PolarHBondContact N-O 3.41Å; L300-S315 VanDerWaalsContact N-O 3.13Å; L300-S315 PolarHBondContact O-N 2.85Å
301I93.6Very high88.8Confident0 Ų060.4 Ų60.40%032%0.316CS..EExtended strand (participates in β ladder)trans-113.2125.7165.5-58.4171.4000107.7R183 V184 A187 I189 V241 M262 C298 L312 R313 F314R183-I301 CarbonylContact C-O 3.26Å; R183-I301 WeakPolarHBondContact CA-O 3.47Å; V184-I301 PolarHBondContact N-O 3.17Å; V184-I301 PolarHBondContact O-N 2.97Å; A187-I301 HydrophobicContact CB-CD1 3.55Å; A187-I301 HydrophobicContact CB-CG1 4.09Å; I189-I301 HydrophobicContact CD1-CD1 4.04Å; I189-I301 HydrophobicContact CG1-CD1 4.17Å; V241-I301 HydrophobicContact CB-CD1 4.24Å; V241-I301 HydrophobicContact CG1-CD1 4.21Å; V241-I301 HydrophobicContact CG2-CD1 3.64Å; M262-I301 HydrophobicContact CE-CG2 4.12Å; M262-I301 HydrophobicContact SD-CG2 3.97Å; C298-I301 WeakPolarHBondContact SG-CG1 3.46Å; I301-L312 HydrophobicContact CG2-CD2 4.36Å; I301-R313 VanDerWaalsContact CA-O 3.31Å; I301-R313 WeakPolarHBondContact CA-O 3.43Å; I301-F314 HydrophobicContact CD1-CD1 3.67Å; I301-F314 HydrophobicContact CD1-CE1 3.43Å; I301-F314 VanDerWaalsContact CD1-CE1 3.43Å; I301-F314 HydrophobicContact CD1-CZ 4.35Å; I301-F314 HydrophobicContact CG1-CD1 3.6Å; I301-F314 HydrophobicContact CG1-CE1 3.83Å; I301-F314 HydrophobicContact CG1-CG 4.29Å; I301-F314 HydrophobicContact CG2-CE1 4.4Å; I301-F314 HydrophobicContact CG2-CZ 4.45Å
302E92.7Very high89.5Confident49 Ų4951.1 Ų51.123%0.22927%0.272CS..EExtended strand (participates in β ladder)trans-140.4146.9176.257.8172.7-16900113R183 L300 V304 R313R183-E302 HydrophobicContact CG-CB 4.43Å; L300-E302 HydrophobicContact CD2-CG 4.32Å; L300-E302 HydrophobicContact CG-CG 4.43Å; E302-V304 HydrophobicContact CG-CG1 3.97Å; E302-V304 PolarHBondContact O-N 2.77Å; E302-R313 HydrophobicContact CG-CB 4.41Å; E302-R313 PolarHBondContact N-O 3.3Å; E302-R313 PolarHBondContact O-N 2.92Å; E302-R313 IonicContact OE1-NH1 2.86Å
303E92Very high90.2Very high45 Ų4548.7 Ų48.721%0.2125%0.251CS..EExtended strand (participates in β ladder)trans-74.5111.3169.4-178.9178.9-100.300110K182 K310 L311 L312K182-E303 HydrophobicContact CB-CB 4.47Å; K182-E303 IonicContact NZ-OE2 3.29Å; K182-E303 PolarHBondContact O-N 3.16Å; K182-E303 VanDerWaalsContact O-N 3.13Å; E303-K310 HydrophobicContact CG-CB 4.16Å; E303-K310 HydrophobicContact CG-CD 4.4Å; E303-K310 HydrophobicContact CG-CG 4.49Å; E303-K310 IonicContact OE2-NZ 3.57Å; E303-K310 PolarHBondContact OE2-NZ 3.32Å; E303-L311 CarbonylContact C-O 3.57Å; E303-L311 WeakPolarHBondContact CA-O 3.49Å; E303-L312 HydrophobicContact CB-CD2 4.22Å
304V92.2Very high90.8Very high17 Ų1747.9 Ų47.910%0.10325%0.245CC..EExtended strand (participates in β ladder)trans-106.3144175.9-61.80000110.4L171 E302 I306 K310 L311 R313L171-V304 HydrophobicContact CD2-CG2 3.87Å; E302-V304 HydrophobicContact CG-CG1 3.97Å; E302-V304 PolarHBondContact O-N 2.77Å; V304-I306 HydrophobicContact CG2-CG1 4.36Å; V304-K310 WeakPolarHBondContact O-CA 3.5Å; V304-L311 HydrophobicContact CG2-CB 4.24Å; V304-L311 PolarHBondContact N-O 3Å; V304-L311 PolarHBondContact O-N 2.87Å; V304-R313 HydrophobicContact CG1-CB 3.9Å; V304-R313 HydrophobicContact CG2-CB 3.94Å
305T90.5Very high90.9Very high90 Ų9044.1 Ų44.155%0.55223%0.233SC*.EExtended strand (participates in β ladder)trans-101.6119.6175.8-54.40000109.3D309T305-D309 CarbonylContact C-O 3.56Å; T305-D309 WeakPolarHBondContact CA-O 3.46Å
306I87.2Confident90.7Very high13 Ų1343.4 Ų43.47%0.06724%0.237CC..EExtended strand (participates in β ladder)trans-117.4103.9178-59.3-166.3000108.2K156 Y165 L171 V304 E308 D309 L311 V326K156-I306 HydrophobicContact CB-CG2 4.13Å; K156-I306 HydrophobicContact CG-CG2 3.92Å; Y165-I306 WeakPolarHBondContact OH-CD1 3.45Å; L171-I306 HydrophobicContact CD1-CD1 3.99Å; V304-I306 HydrophobicContact CG2-CG1 4.36Å; I306-E308 PolarHBondContact O-N 3.38Å; I306-D309 PolarHBondContact N-O 3.07Å; I306-D309 PolarHBondContact O-N 3.45Å; I306-L311 HydrophobicContact CB-CD1 3.95Å; I306-L311 HydrophobicContact CD1-CD1 3.62Å; I306-L311 HydrophobicContact CG1-CD1 3.88Å; I306-V326 HydrophobicContact CD1-CG2 4.2Å; I306-V326 HydrophobicContact CG2-CG1 4.13Å
307G83.6Confident90.3Very high43 Ų4344.7 Ų44.744%0.44325%0.245SC..THydrogen-bonded Turntrans70.2-122.4-169.300000110.4
308E85.9Confident89.5Confident192 Ų19244.3 Ų44.390%0.89726%0.256SS*.THydrogen-bonded Turntrans-96-11.6175.7-62.2-178.7176.700112.7I306I306-E308 PolarHBondContact O-N 3.38Å
309D88.7Confident88.8Confident67 Ų6747.8 Ų47.836%0.35827%0.273SS..EExtended strand (participates in β ladder)trans-93.4147.9-175-69.9-33.3000112.2K156 T305 I306K156-D309 HydrophobicContact CD-CB 4.15Å; K156-D309 VanDerWaalsContact CD-OD2 3.25Å; K156-D309 WeakPolarHBondContact CD-OD2 3.33Å; K156-D309 WeakPolarHBondContact CE-OD2 2.82Å; K156-D309 IonicContact NZ-OD2 3.49Å; K156-D309 PolarHBondContact NZ-OD2 3.45Å; T305-D309 CarbonylContact C-O 3.56Å; T305-D309 WeakPolarHBondContact CA-O 3.46Å; I306-D309 PolarHBondContact N-O 3.07Å; I306-D309 PolarHBondContact O-N 3.45Å
310K90Very high88.1Confident68 Ų6844.6 Ų44.630%0.29626%0.26SS..EExtended strand (participates in β ladder)trans-106.3125.8175-68.1178162.2-146.10109.4E303 V304E303-K310 HydrophobicContact CG-CB 4.16Å; E303-K310 HydrophobicContact CG-CD 4.4Å; E303-K310 HydrophobicContact CG-CG 4.49Å; E303-K310 IonicContact OE2-NZ 3.57Å; E303-K310 PolarHBondContact OE2-NZ 3.32Å; V304-K310 WeakPolarHBondContact O-CA 3.5Å
311L92.3Very high87.7Confident0 Ų045.7 Ų45.70%026%0.264CS..EExtended strand (participates in β ladder)trans-124.5158.1-178.1-55169.1000108.8D173 E303 V304 I306D173-L311 VanDerWaalsContact CA-CD2 3.44Å; D173-L311 HydrophobicContact CB-CD2 3.57Å; D173-L311 WeakPolarHBondContact OD1-CD2 3.38Å; E303-L311 CarbonylContact C-O 3.57Å; E303-L311 WeakPolarHBondContact CA-O 3.49Å; V304-L311 HydrophobicContact CG2-CB 4.24Å; V304-L311 PolarHBondContact N-O 3Å; V304-L311 PolarHBondContact O-N 2.87Å; I306-L311 HydrophobicContact CB-CD1 3.95Å; I306-L311 HydrophobicContact CD1-CD1 3.62Å; I306-L311 HydrophobicContact CG1-CD1 3.88Å
312L92.5Very high87.4Confident0 Ų045.8 Ų45.80%026%0.264CS..EExtended strand (participates in β ladder)trans-97.7121.1171.2-71.4172.5000109.6L171 L172 K174 P176 I264 I301 E303 F314L171-L312 WeakPolarHBondContact CA-O 3.42Å; L172-L312 HydrophobicContact CB-CB 4.46Å; L172-L312 PolarHBondContact N-O 3.2Å; L172-L312 PolarHBondContact O-N 3.12Å; K174-L312 WeakPolarHBondContact O-CG 3.38Å; P176-L312 HydrophobicContact CG-CD2 4.5Å; I264-L312 HydrophobicContact CD1-CD1 3.38Å; I264-L312 HydrophobicContact CG1-CD1 3.76Å; I301-L312 HydrophobicContact CG2-CD2 4.36Å; E303-L312 HydrophobicContact CB-CD2 4.22Å; L312-F314 HydrophobicContact CB-CE2 4.1Å
313R93Very high87.3Confident61 Ų6143.4 Ų43.423%0.2325%0.253CS..EExtended strand (participates in β ladder)trans-95.7124.1173.5-176.1-176.9-78.2150.2-1.3109.8Y165 D167 L171 I301 E302 V304Y165-R313 PolarHBondContact OH-NH2 3.02Å; D167-R313 IonicContact OD1-NE 3.4Å; D167-R313 IonicContact OD2-CZ 3.69Å; D167-R313 IonicContact OD2-NE 3.31Å; D167-R313 PolarHBondContact OD2-NE 3.02Å; D167-R313 IonicContact OD2-NH2 3.92Å; D167-R313 PolarHBondContact OD2-NH2 3.17Å; L171-R313 HydrophobicContact CD2-CB 3.62Å; L171-R313 HydrophobicContact CD2-CG 3.92Å; I301-R313 VanDerWaalsContact CA-O 3.31Å; I301-R313 WeakPolarHBondContact CA-O 3.43Å; E302-R313 HydrophobicContact CG-CB 4.41Å; E302-R313 PolarHBondContact N-O 3.3Å; E302-R313 PolarHBondContact O-N 2.92Å; E302-R313 IonicContact OE1-NH1 2.86Å; V304-R313 HydrophobicContact CG1-CB 3.9Å; V304-R313 HydrophobicContact CG2-CB 3.94Å
314F92.9Very high87.4Confident0 Ų041.3 Ų41.30%024%0.243CC..EExtended strand (participates in β ladder)trans-98.5114.3169.9-63.4-105.5000107.4G169 F170 L172 I189 I243 I264 L275 I301 L312 V317G169-F314 VanDerWaalsContact CA-O 3.24Å; G169-F314 WeakPolarHBondContact CA-O 3.35Å; F170-F314 HydrophobicContact CB-CB 4.37Å; F170-F314 HydrophobicContact CD1-CD2 4.44Å; F170-F314 PolarHBondContact N-O 3.13Å; F170-F314 PolarHBondContact O-N 3.15Å; L172-F314 HydrophobicContact CB-CE2 3.86Å; L172-F314 HydrophobicContact CD2-CE2 4.26Å; L172-F314 HydrophobicContact CD2-CZ 4.46Å; I189-F314 HydrophobicContact CD1-CD1 4Å; I189-F314 HydrophobicContact CD1-CE1 3.94Å; I243-F314 HydrophobicContact CD1-CE1 3.96Å; I243-F314 HydrophobicContact CD1-CZ 3.83Å; I264-F314 HydrophobicContact CD1-CZ 4.05Å; L275-F314 HydrophobicContact CD2-CD1 4.35Å; L275-F314 HydrophobicContact CD2-CD2 4.24Å; L275-F314 HydrophobicContact CD2-CE1 4.03Å; L275-F314 HydrophobicContact CD2-CE2 3.92Å; L275-F314 HydrophobicContact CD2-CG 4.46Å; L275-F314 HydrophobicContact CD2-CZ 3.81Å; I301-F314 HydrophobicContact CD1-CD1 3.67Å; I301-F314 HydrophobicContact CD1-CE1 3.43Å; I301-F314 VanDerWaalsContact CD1-CE1 3.43Å; I301-F314 HydrophobicContact CD1-CZ 4.35Å; I301-F314 HydrophobicContact CG1-CD1 3.6Å; I301-F314 HydrophobicContact CG1-CE1 3.83Å; I301-F314 HydrophobicContact CG1-CG 4.29Å; I301-F314 HydrophobicContact CG2-CE1 4.4Å; I301-F314 HydrophobicContact CG2-CZ 4.45Å; L312-F314 HydrophobicContact CB-CE2 4.1Å; F314-V317 HydrophobicContact CB-CG1 4.33Å
315S90.8Very high87.5Confident32 Ų3240.5 Ų40.522%0.22424%0.238CC..EExtended strand (participates in β ladder)trans-113.9150.4179.9-49.60000110.4D299 L300D299-S315 PolarHBondContact N-O 2.85Å; D299-S315 VanDerWaalsContact N-O 3.14Å; L300-S315 PolarHBondContact N-O 3.41Å; L300-S315 VanDerWaalsContact N-O 3.13Å; L300-S315 PolarHBondContact O-N 2.85Å
316G86.3Confident87.7Confident35 Ų3536.2 Ų36.236%0.36121%0.212SC..EExtended strand (participates in β ladder)trans66.764.3-179.800000112.1C298 D299C298-G316 VanDerWaalsContact CA-O 3.28Å; C298-G316 WeakPolarHBondContact CA-O 3.33Å; D299-G316 PolarHBondContact N-O 3.27Å; D299-G316 VanDerWaalsContact OD2-CA 3.31Å; D299-G316 WeakPolarHBondContact OD2-CA 3.48Å
317V83.9Confident88.1Confident30 Ų3035.6 Ų35.618%0.18221%0.209CC..EExtended strand (participates in β ladder)trans-97.4138.1-171.7-62.80000110.6V278 C298 F314V278-V317 HydrophobicContact CG1-CB 3.5Å; V278-V317 HydrophobicContact CG1-CG1 3.26Å; V278-V317 HydrophobicContact CG1-CG2 3.95Å; C298-V317 HydrophobicContact CB-CG1 4.31Å; F314-V317 HydrophobicContact CB-CG1 4.33Å
318A75Confident88.5Confident72 Ų7235.2 Ų35.260%0.59519%0.194SC*.SBendtrans-70.7-41.1-168.100000114.4
319M76.7Confident88.8Confident73 Ų7326 Ų2636%0.3615%0.151SC..SBendtrans-101.9-40.8-177.1-78.3-172.1174.800112.7K143 L277 V278 E321K143-M319 PolarHBondContact NZ-O 3.46Å; L277-M319 VanDerWaalsContact O-CB 3.3Å; L277-M319 WeakPolarHBondContact O-CB 3.47Å; V278-M319 PolarHBondContact O-N 3.16Å; M319-E321 HydrophobicContact CB-CG 4.33Å; M319-E321 PolarHBondContact O-N 3.03Å
320G77.8Confident88.9Confident16 Ų1626.5 Ų26.517%0.16516%0.164CC..  trans62.725.3176.900000114.7A322G320-A322 VanDerWaalsContact C-N 3.3Å; G320-A322 PolarHBondContact O-N 3.27Å
321E83.7Confident88.9Confident57 Ų5726 Ų2627%0.26617%0.167SC..  trans-83.8-2.9-175.9-69.3-179.6-176.200114.1L142 K143 L277 M319L142-E321 WeakPolarHBondContact CD2-O 3.31Å; K143-E321 HydrophobicContact CD-CG 4.08Å; K143-E321 IonicContact NZ-OE1 3.89Å; L277-E321 HydrophobicContact CB-CB 4.4Å; M319-E321 HydrophobicContact CB-CG 4.33Å; M319-E321 PolarHBondContact O-N 3.03Å
322A87.9Confident88.8Confident1 Ų133.5 Ų33.51%0.00820%0.2CC..SBendtrans-127.9153.5169.100000108.7A150 R274 L277 V278 G320A150-A322 HydrophobicContact CB-CB 4.08Å; A150-A322 VanDerWaalsContact O-CA 3.31Å; A150-A322 WeakPolarHBondContact O-CA 3.25Å; A150-A322 WeakPolarHBondContact O-CB 3.43Å; R274-A322 HydrophobicContact CB-CB 4.24Å; R274-A322 HydrophobicContact CG-CB 4.46Å; L277-A322 HydrophobicContact CB-CB 4.03Å; V278-A322 HydrophobicContact CG2-CB 3.54Å; V278-A322 WeakPolarHBondContact CG2-O 3.32Å; G320-A322 VanDerWaalsContact C-N 3.3Å; G320-A322 PolarHBondContact O-N 3.27Å
323C90.9Very high88.6Confident0 Ų035.5 Ų35.50%021%0.214CC..EExtended strand (participates in β ladder)trans-146.6164.3-17764.30000111.9A150 Q152 L166A150-C323 PolarHBondContact O-N 3.09Å; A150-C323 VanDerWaalsContact O-N 3.13Å; Q152-C323 PolarHBondContact N-O 2.81Å; L166-C323 HydrophobicContact CD1-CB 3.73Å
324T93.8Very high88.4Confident0 Ų035 Ų350%022%0.215CC..EExtended strand (participates in β ladder)trans-122.7124.6178.2-45.60000110.8Q152 I154 D167 F170 L171Q152-T324 HydrophobicContact CB-CG2 4.12Å; Q152-T324 HydrophobicContact CG-CG2 4.27Å; Q152-T324 CarbonylContact O-C 3.52Å; Q152-T324 VanDerWaalsContact O-CA 3.31Å; Q152-T324 WeakPolarHBondContact O-CA 3.37Å; I154-T324 HydrophobicContact CB-CG2 4.49Å; I154-T324 HydrophobicContact CD1-CG2 3.54Å; I154-T324 HydrophobicContact CG1-CG2 3.7Å; D167-T324 PolarHBondContact N-O 2.94Å; F170-T324 WeakPolarHBondContact CD2-OG1 3.48Å; F170-T324 WeakPolarHBondContact CE2-OG1 3.45Å; L171-T324 HydrophobicContact CB-CG2 3.82Å; L171-T324 HydrophobicContact CD1-CG2 4.38Å; L171-T324 PolarHBondContact N-OG1 2.95Å; L171-T324 PolarHBondContact O-OG1 3.4Å
325I94.8Very high88.4Confident0 Ų035.1 Ų35.10%022%0.216CC..EExtended strand (participates in β ladder)trans-100.5122.5171.6-58.7173.3000107.9A138 I151 Q152 I153 I154 L166 L327 L342 L346A138-I325 HydrophobicContact CB-CD1 3.85Å; A138-I325 HydrophobicContact CB-CG1 4.49Å; I151-I325 HydrophobicContact CG2-CD1 3.81Å; I151-I325 HydrophobicContact CG2-CG1 4.18Å; Q152-I325 PolarHBondContact O-N 3.43Å; I153-I325 WeakPolarHBondContact CA-O 3.44Å; I154-I325 PolarHBondContact N-O 2.94Å; L166-I325 HydrophobicContact CD1-CG1 3.66Å; I325-L327 HydrophobicContact CG2-CD2 4.09Å; I325-L327 HydrophobicContact CG2-CG 4.46Å; I325-L342 HydrophobicContact CB-CD2 4.44Å; I325-L342 HydrophobicContact CD1-CD2 3.82Å; I325-L342 HydrophobicContact CG2-CD2 3.82Å; I325-L346 HydrophobicContact CD1-CD1 4.47Å
326V94.9Very high88.4Confident0 Ų035.3 Ų35.30%022%0.219CC..EExtended strand (participates in β ladder)trans-94.7118.3173-178.50000108.4I154 S164 Y165 L171 I306 R328I154-V326 CarbonylContact O-C 3.47Å; I154-V326 WeakPolarHBondContact O-CA 3.25Å; S164-V326 CarbonylContact C-O 3.45Å; S164-V326 WeakPolarHBondContact CA-O 3.33Å; S164-V326 VanDerWaalsContact CB-O 3.25Å; S164-V326 WeakPolarHBondContact CB-O 3.31Å; Y165-V326 HydrophobicContact CD1-CB 4.33Å; Y165-V326 HydrophobicContact CE1-CB 4Å; Y165-V326 HydrophobicContact CE1-CG1 4.31Å; Y165-V326 HydrophobicContact CE1-CG2 4.25Å; Y165-V326 HydrophobicContact CE2-CG2 4.37Å; Y165-V326 PolarHBondContact N-O 3.1Å; Y165-V326 PolarHBondContact O-N 3.38Å; L171-V326 HydrophobicContact CD1-CG2 3.28Å; I306-V326 HydrophobicContact CD1-CG2 4.2Å; I306-V326 HydrophobicContact CG2-CG1 4.13Å; V326-R328 HydrophobicContact CG1-CG 4.46Å
327L94.8Very high88.5Confident0 Ų033.8 Ų33.80%020%0.203CC..EExtended strand (participates in β ladder)trans-95.8127.5172.9-64.9-178.2000110.2F131 I153 I154 K156 I325 L335 A338 E339 L342F131-L327 HydrophobicContact CE1-CD2 3.66Å; F131-L327 HydrophobicContact CZ-CD2 4.46Å; I153-L327 HydrophobicContact CG2-CD1 3.45Å; I153-L327 VanDerWaalsContact CG2-CD1 3.45Å; I153-L327 HydrophobicContact CG2-CG 3.83Å; I154-L327 PolarHBondContact O-N 2.96Å; K156-L327 PolarHBondContact N-O 3.36Å; I325-L327 HydrophobicContact CG2-CD2 4.09Å; I325-L327 HydrophobicContact CG2-CG 4.46Å; L327-L335 HydrophobicContact CB-CD2 3.98Å; L327-L335 WeakPolarHBondContact O-CD2 3.39Å; L327-A338 HydrophobicContact CD1-CB 4.32Å; L327-E339 VanDerWaalsContact CD1-CA 3.5Å; L327-E339 HydrophobicContact CD1-CB 3.84Å; L327-L342 HydrophobicContact CD1-CD2 4.47Å; L327-L342 HydrophobicContact CD2-CD2 4.09Å
328R92.8Very high88.9Confident35 Ų3532.4 Ų32.413%0.13219%0.194CC..EExtended strand (participates in β ladder)trans-111.9145175.6-61.1-59.7-61.4-144.1-1.4109.1L157 G158 T160 D163 S164 V326 L335L157-R328 PolarHBondContact O-NH2 3.43Å; G158-R328 PolarHBondContact O-NE 3.28Å; G158-R328 PolarHBondContact O-NH2 2.9Å; T160-R328 WeakPolarHBondContact O-CB 3.49Å; D163-R328 HydrophobicContact CB-CB 4.05Å; D163-R328 HydrophobicContact CB-CG 4.01Å; D163-R328 WeakPolarHBondContact O-CG 3.45Å; S164-R328 PolarHBondContact OG-N 3.45Å; S164-R328 PolarHBondContact OG-O 3.35Å; V326-R328 HydrophobicContact CG1-CG 4.46Å; R328-L335 VanDerWaalsContact C-CD2 3.45Å
329G91.6Very high89.8Confident0 Ų032.5 Ų32.50%018%0.182CC..EExtended strand (participates in β ladder)trans-174.8154.1-176.200000113G158G158-G329 PolarHBondContact N-O 3.26Å
330A91.4Very high90.4Very high76 Ų7631.5 Ų31.563%0.62817%0.174SC*.SBendtrans-72-34.1-173.800000113.4
331T90.2Very high91Very high58 Ų5830.7 Ų30.736%0.35617%0.166SC..SBendtrans-131.2155.9-17968.30000111.1S333 I334 L335T331-S333 VanDerWaalsContact C-N 3.27Å; T331-S333 PolarHBondContact O-N 2.84Å; T331-S333 PolarHBondContact OG1-OG 3.43Å; T331-I334 PolarHBondContact O-N 3.14Å; T331-I334 WeakPolarHBondContact OG1-CD1 3.35Å; T331-I334 VanDerWaalsContact OG1-CG1 3.24Å; T331-I334 WeakPolarHBondContact OG1-CG1 3.35Å; T331-I334 PolarHBondContact OG1-N 3Å; T331-L335 PolarHBondContact O-N 3.25Å; T331-L335 VanDerWaalsContact O-N 3.11Å
332K89.9Confident91.5Very high158 Ų15828 Ų2869%0.68715%0.154SC*.Hα-helixtrans-60-37176-68.4-174.7177.2-176.30112.5L157 L335 A336L157-K332 HydrophobicContact CD1-CD 4.44Å; L157-K332 HydrophobicContact CD1-CG 3.92Å; L157-K332 HydrophobicContact CD2-CG 3.76Å; L157-K332 HydrophobicContact CG-CG 4.27Å; K332-L335 PolarHBondContact O-N 3.44Å; K332-A336 WeakPolarHBondContact O-CB 3.12Å; K332-A336 PolarHBondContact O-N 2.95Å
333S87.7Confident91.6Very high42 Ų4231.8 Ų31.829%0.29417%0.171SC..Hα-helixtrans-64.3-41.2178.552.70000112.5T331 E337T331-S333 VanDerWaalsContact C-N 3.27Å; T331-S333 PolarHBondContact O-N 2.84Å; T331-S333 PolarHBondContact OG1-OG 3.43Å; S333-E337 PolarHBondContact O-N 2.85Å
334I89.5Confident91.7Very high49 Ų4932 Ų3225%0.25117%0.172SC..Hα-helixtrans-65.7-41.7175.7-70.1172.5000110.6L123 M161 T331 E337 A338L123-I334 HydrophobicContact CD2-CB 4.08Å; L123-I334 HydrophobicContact CD2-CG1 3.9Å; L123-I334 HydrophobicContact CD2-CG2 3.73Å; M161-I334 HydrophobicContact CE-CG2 4.18Å; M161-I334 HydrophobicContact CG-CG2 4.37Å; M161-I334 HydrophobicContact SD-CG2 3.36Å; M161-I334 WeakPolarHBondContact SD-CG2 3.47Å; T331-I334 PolarHBondContact O-N 3.14Å; T331-I334 WeakPolarHBondContact OG1-CD1 3.35Å; T331-I334 VanDerWaalsContact OG1-CG1 3.24Å; T331-I334 WeakPolarHBondContact OG1-CG1 3.35Å; T331-I334 PolarHBondContact OG1-N 3Å; I334-E337 PolarHBondContact O-N 3.39Å; I334-A338 WeakPolarHBondContact O-CB 3.23Å; I334-A338 PolarHBondContact O-N 2.98Å
335L91.9Very high91.7Very high4 Ų432 Ų322%0.02117%0.173CC..Hα-helixtrans-63.3-45.1177.2-77.1172.4000112.4Q155 L157 L327 R328 T331 K332 A338 E339Q155-L335 HydrophobicContact CB-CB 4.43Å; Q155-L335 HydrophobicContact CB-CD1 4.35Å; Q155-L335 HydrophobicContact CG-CB 4.31Å; Q155-L335 PolarHBondContact NE2-O 2.63Å; Q155-L335 VanDerWaalsContact NE2-O 3.09Å; L157-L335 HydrophobicContact CD2-CD1 3.66Å; L157-L335 HydrophobicContact CG-CD1 3.99Å; L327-L335 HydrophobicContact CB-CD2 3.98Å; L327-L335 WeakPolarHBondContact O-CD2 3.39Å; R328-L335 VanDerWaalsContact C-CD2 3.45Å; T331-L335 PolarHBondContact O-N 3.25Å; T331-L335 VanDerWaalsContact O-N 3.11Å; K332-L335 PolarHBondContact O-N 3.44Å; L335-A338 PolarHBondContact O-N 2.66Å; L335-E339 PolarHBondContact O-N 3.09Å
336A90.4Very high91.6Very high35 Ų3532.2 Ų32.229%0.28917%0.174SC..Hα-helixtrans-61.7-44177.200000111.6K332 E339 R340K332-A336 WeakPolarHBondContact O-CB 3.12Å; K332-A336 PolarHBondContact O-N 2.95Å; A336-E339 PolarHBondContact O-N 3.04Å; A336-R340 PolarHBondContact O-N 3.06Å; A336-R340 VanDerWaalsContact O-N 3.07Å
337E89.4Confident91.5Very high4 Ų432.8 Ų32.82%0.01918%0.177CC..Hα-helixtrans-70-33.1176.7-175.161.8179.600112.5T15 N16 L123 S333 I334 R340 S341T15-E337 WeakPolarHBondContact CA-OE1 3.5Å; T15-E337 VanDerWaalsContact CA-OE2 3.3Å; T15-E337 WeakPolarHBondContact CA-OE2 3.14Å; T15-E337 VanDerWaalsContact CB-OE2 3.22Å; T15-E337 WeakPolarHBondContact CB-OE2 3.4Å; T15-E337 PolarHBondContact OG1-OE1 3.09Å; T15-E337 PolarHBondContact OG1-OE2 3.3Å; N16-E337 PolarHBondContact N-OE1 3.18Å; L123-E337 HydrophobicContact CB-CG 4.22Å; S333-E337 PolarHBondContact O-N 2.85Å; I334-E337 PolarHBondContact O-N 3.39Å; E337-R340 IonicContact OE2-CZ 3.57Å; E337-R340 IonicContact OE2-NH1 2.88Å; E337-R340 PolarHBondContact OE2-NH1 3.38Å; E337-S341 WeakPolarHBondContact O-CB 3.3Å; E337-S341 PolarHBondContact O-N 2.76Å; E337-S341 PolarHBondContact O-OG 3.44Å
338A92.4Very high91.4Very high0 Ų032.9 Ų32.90%018%0.178CC..Hα-helixtrans-67.2-41.6174.600000112.3L124 M161 L327 I334 L335 S341 L342L124-A338 HydrophobicContact CD2-CB 3.86Å; M161-A338 HydrophobicContact CE-CB 3.35Å; L327-A338 HydrophobicContact CD1-CB 4.32Å; I334-A338 WeakPolarHBondContact O-CB 3.23Å; I334-A338 PolarHBondContact O-N 2.98Å; L335-A338 PolarHBondContact O-N 2.66Å; A338-S341 PolarHBondContact O-N 3Å; A338-L342 VanDerWaalsContact O-CB 3.23Å; A338-L342 WeakPolarHBondContact O-CB 3.35Å; A338-L342 PolarHBondContact O-N 2.97Å
339E92.5Very high91.4Very high75 Ų7531.2 Ų31.235%0.3517%0.172SC..Hα-helixtrans-59.1-50.2173171179.3-143.900110.8I153 Q155 L327 L335 A336 L342 H343I153-E339 HydrophobicContact CD1-CG 4.15Å; I153-E339 HydrophobicContact CG2-CB 4.33Å; I153-E339 HydrophobicContact CG2-CG 4.08Å; Q155-E339 PolarHBondContact NE2-OE2 3.08Å; L327-E339 VanDerWaalsContact CD1-CA 3.5Å; L327-E339 HydrophobicContact CD1-CB 3.84Å; L335-E339 PolarHBondContact O-N 3.09Å; A336-E339 PolarHBondContact O-N 3.04Å; E339-L342 PolarHBondContact O-N 3.43Å; E339-H343 WeakPolarHBondContact O-CB 3.29Å; E339-H343 PolarHBondContact O-N 2.94Å
340R89.6Confident91.4Very high51 Ų5131.5 Ų31.519%0.19217%0.174CC..Hα-helixtrans-60-49.3177.6-170.7-178.7-65.6124.9-7111.7E13 T15 D17 T20 A336 E337 L342 H343 D344E13-R340 IonicContact OE2-NH2 3.22Å; T15-R340 PolarHBondContact OG1-NH1 3.36Å; D17-R340 HydrophobicContact CB-CG 4.48Å; T20-R340 WeakPolarHBondContact OG1-CD 3.42Å; T20-R340 PolarHBondContact OG1-NE 2.87Å; A336-R340 PolarHBondContact O-N 3.06Å; A336-R340 VanDerWaalsContact O-N 3.07Å; E337-R340 IonicContact OE2-CZ 3.57Å; E337-R340 IonicContact OE2-NH1 2.88Å; E337-R340 PolarHBondContact OE2-NH1 3.38Å; R340-L342 PolarHBondContact O-N 3.28Å; R340-H343 WeakPolarHBondContact O-CB 3.28Å; R340-H343 PolarHBondContact O-N 3.23Å; R340-H343 VanDerWaalsContact O-N 3.09Å; R340-D344 VanDerWaalsContact O-CG 3.24Å; R340-D344 PolarHBondContact O-N 3.43Å; R340-D344 VanDerWaalsContact O-OD1 3.13Å
341S91.4Very high91.2Very high0 Ų029.8 Ų29.80%015%0.154CC..Hα-helixtrans-57.8-38.7178.6-62.70000112.9L119 K122 E337 A338 A345L119-S341 WeakPolarHBondContact CD2-O 3.49Å; K122-S341 WeakPolarHBondContact CB-OG 3.38Å; K122-S341 WeakPolarHBondContact CD-OG 3.46Å; E337-S341 WeakPolarHBondContact O-CB 3.3Å; E337-S341 PolarHBondContact O-N 2.76Å; E337-S341 PolarHBondContact O-OG 3.44Å; A338-S341 PolarHBondContact O-N 3Å; S341-A345 PolarHBondContact O-N 2.98Å
342L92.8Very high91.2Very high0 Ų027 Ų270%014%0.137CC..Hα-helixtrans-72.8-41.4176.5179.462.9000111.4A135 I153 I325 L327 A338 E339 R340 D344 A345 L346A135-L342 HydrophobicContact CB-CD1 3.88Å; I153-L342 HydrophobicContact CD1-CD2 4.24Å; I325-L342 HydrophobicContact CB-CD2 4.44Å; I325-L342 HydrophobicContact CD1-CD2 3.82Å; I325-L342 HydrophobicContact CG2-CD2 3.82Å; L327-L342 HydrophobicContact CD1-CD2 4.47Å; L327-L342 HydrophobicContact CD2-CD2 4.09Å; A338-L342 VanDerWaalsContact O-CB 3.23Å; A338-L342 WeakPolarHBondContact O-CB 3.35Å; A338-L342 PolarHBondContact O-N 2.97Å; E339-L342 PolarHBondContact O-N 3.43Å; R340-L342 PolarHBondContact O-N 3.28Å; L342-D344 VanDerWaalsContact C-N 3.35Å; L342-D344 PolarHBondContact O-N 3.35Å; L342-A345 WeakPolarHBondContact O-CB 3.4Å; L342-A345 PolarHBondContact O-N 3.01Å; L342-A345 VanDerWaalsContact O-N 3.16Å; L342-L346 HydrophobicContact CD1-CG 4.34Å; L342-L346 HydrophobicContact CG-CD1 4.11Å; L342-L346 HydrophobicContact CG-CG 4.3Å; L342-L346 VanDerWaalsContact O-CG 3.29Å; L342-L346 WeakPolarHBondContact O-CG 3.43Å; L342-L346 PolarHBondContact O-N 3.47Å
343H92Very high91.1Very high80 Ų8021.8 Ų21.837%0.3712%0.118SC..Hα-helixtrans-55.1-50.4176.2-179.573.7000111.1E339 R340 A345 L346 C347E339-H343 WeakPolarHBondContact O-CB 3.29Å; E339-H343 PolarHBondContact O-N 2.94Å; R340-H343 WeakPolarHBondContact O-CB 3.28Å; R340-H343 PolarHBondContact O-N 3.23Å; R340-H343 VanDerWaalsContact O-N 3.09Å; H343-A345 VanDerWaalsContact C-N 3.28Å; H343-A345 PolarHBondContact O-N 2.93Å; H343-L346 CarbonylContact O-C 3.54Å; H343-L346 WeakPolarHBondContact O-CA 3.31Å; H343-L346 WeakPolarHBondContact O-CB 3.13Å; H343-L346 PolarHBondContact O-N 3.21Å; H343-C347 PolarHBondContact NE2-SG 3.18Å; H343-C347 VanDerWaalsContact NE2-SG 3.4Å; H343-C347 PolarHBondContact O-N 3.42Å; H343-C347 PolarHBondContact O-SG 3.44Å
344D91.8Very high91.1Very high5 Ų526.3 Ų26.33%0.02713%0.132CC..Hα-helixtrans-56.7-42.2177.2-58.7-5.3000112G47 T118 K122 R340 L342 C347 V348G47-D344 VanDerWaalsContact O-CA 3.28Å; G47-D344 WeakPolarHBondContact O-CA 3.36Å; G47-D344 WeakPolarHBondContact O-CB 3.45Å; T118-D344 HydrophobicContact CG2-CB 4.46Å; K122-D344 VanDerWaalsContact NZ-CG 3.27Å; K122-D344 IonicContact NZ-OD2 3.78Å; K122-D344 PolarHBondContact NZ-OD2 3.28Å; R340-D344 VanDerWaalsContact O-CG 3.24Å; R340-D344 PolarHBondContact O-N 3.43Å; R340-D344 VanDerWaalsContact O-OD1 3.13Å; L342-D344 VanDerWaalsContact C-N 3.35Å; L342-D344 PolarHBondContact O-N 3.35Å; D344-C347 PolarHBondContact O-N 2.83Å; D344-V348 WeakPolarHBondContact O-CG2 3.26Å; D344-V348 PolarHBondContact O-N 2.86Å; D344-V348 VanDerWaalsContact O-N 3.12Å
345A93Very high91Very high1 Ų125.3 Ų25.31%0.00813%0.128CC..Hα-helixtrans-65.4-40.717600000111.7T118 L119 A135 S341 L342 H343 L349T118-A345 HydrophobicContact CG2-CB 4.4Å; L119-A345 HydrophobicContact CD2-CB 4.04Å; L119-A345 HydrophobicContact CG-CB 4.18Å; A135-A345 HydrophobicContact CB-CB 4.44Å; S341-A345 PolarHBondContact O-N 2.98Å; L342-A345 WeakPolarHBondContact O-CB 3.4Å; L342-A345 PolarHBondContact O-N 3.01Å; L342-A345 VanDerWaalsContact O-N 3.16Å; H343-A345 VanDerWaalsContact C-N 3.28Å; H343-A345 PolarHBondContact O-N 2.93Å; A345-L349 WeakPolarHBondContact O-CB 3.38Å; A345-L349 WeakPolarHBondContact O-CD1 3.39Å; A345-L349 WeakPolarHBondContact O-CG 3.33Å; A345-L349 PolarHBondContact O-N 3.32Å
346L93.7Very high90.8Very high4 Ų427.3 Ų27.32%0.02114%0.141CC..Hα-helixtrans-64.4-40.8176.2-66.6172.3000111.7A135 A138 V139 L148 I151 I153 I325 L342 H343 L349 A350A135-L346 HydrophobicContact CB-CD2 4.04Å; A138-L346 HydrophobicContact CB-CD2 4.16Å; V139-L346 HydrophobicContact CG2-CD2 3.66Å; L148-L346 HydrophobicContact CD2-CB 3.93Å; I151-L346 HydrophobicContact CD1-CD1 4.06Å; I151-L346 HydrophobicContact CD1-CD2 3.78Å; I151-L346 HydrophobicContact CD1-CG 4.42Å; I151-L346 HydrophobicContact CG2-CD1 4.07Å; I153-L346 HydrophobicContact CD1-CD1 4.35Å; I325-L346 HydrophobicContact CD1-CD1 4.47Å; L342-L346 HydrophobicContact CD1-CG 4.34Å; L342-L346 HydrophobicContact CG-CD1 4.11Å; L342-L346 HydrophobicContact CG-CG 4.3Å; L342-L346 VanDerWaalsContact O-CG 3.29Å; L342-L346 WeakPolarHBondContact O-CG 3.43Å; L342-L346 PolarHBondContact O-N 3.47Å; H343-L346 CarbonylContact O-C 3.54Å; H343-L346 WeakPolarHBondContact O-CA 3.31Å; H343-L346 WeakPolarHBondContact O-CB 3.13Å; H343-L346 PolarHBondContact O-N 3.21Å; L346-L349 PolarHBondContact O-N 2.88Å; L346-A350 VanDerWaalsContact O-CB 3.28Å; L346-A350 WeakPolarHBondContact O-CB 3.41Å; L346-A350 PolarHBondContact O-N 2.92Å
347C92.5Very high90.9Very high12 Ų1228.7 Ų28.78%0.08114%0.139CC..Hα-helixtrans-59.5-52.5176.4-66.70000111.9V46 L148 H343 D344 L349 A350 L351V46-C347 WeakPolarHBondContact O-CB 3.46Å; L148-C347 HydrophobicContact CD1-CB 4.2Å; L148-C347 WeakPolarHBondContact CD1-SG 3.27Å; H343-C347 PolarHBondContact NE2-SG 3.18Å; H343-C347 VanDerWaalsContact NE2-SG 3.4Å; H343-C347 PolarHBondContact O-N 3.42Å; H343-C347 PolarHBondContact O-SG 3.44Å; D344-C347 PolarHBondContact O-N 2.83Å; C347-L349 VanDerWaalsContact C-N 3.32Å; C347-L349 PolarHBondContact O-N 3.48Å; C347-A350 PolarHBondContact O-N 2.97Å; C347-L351 WeakPolarHBondContact O-CG 3.32Å; C347-L351 PolarHBondContact O-N 2.87Å
348V92.6Very high91.1Very high1 Ų128.8 Ų28.81%0.00614%0.139CC..Hα-helixtrans-61.4-41.9179.7177.80000111.4D48 I114 D344 L351 T352 A448 V451D48-V348 HydrophobicContact CB-CG2 3.23Å; I114-V348 HydrophobicContact CG2-CG1 3.45Å; I114-V348 VanDerWaalsContact CG2-CG1 3.45Å; D344-V348 WeakPolarHBondContact O-CG2 3.26Å; D344-V348 PolarHBondContact O-N 2.86Å; D344-V348 VanDerWaalsContact O-N 3.12Å; V348-L351 PolarHBondContact O-N 2.96Å; V348-T352 WeakPolarHBondContact O-CB 3.42Å; V348-T352 PolarHBondContact O-N 2.99Å; V348-T352 PolarHBondContact O-OG1 2.86Å; V348-A448 HydrophobicContact CG1-CB 3.77Å; V348-V451 HydrophobicContact CG1-CG2 4.29Å; V348-V451 HydrophobicContact CG2-CG2 4.18Å
349L92.8Very high91.1Very high1 Ų128.9 Ų28.91%0.00514%0.14CC..Hα-helixtrans-66.2-43.4177.8-71.3174000111.9L111 I114 A115 A135 V136 V139 A345 L346 C347 L351 T352 V353L111-L349 HydrophobicContact CB-CD2 3.85Å; L111-L349 HydrophobicContact CD2-CD2 3.78Å; L111-L349 HydrophobicContact CG-CD2 4.36Å; L111-L349 WeakPolarHBondContact O-CD2 3.4Å; I114-L349 HydrophobicContact CG2-CD2 4.47Å; A115-L349 HydrophobicContact CB-CD1 4.15Å; A115-L349 HydrophobicContact CB-CD2 4.33Å; A135-L349 HydrophobicContact CB-CD1 3.67Å; V136-L349 HydrophobicContact CG2-CD1 3.92Å; V136-L349 HydrophobicContact CG2-CD2 4.13Å; V139-L349 HydrophobicContact CB-CB 4.28Å; V139-L349 HydrophobicContact CG1-CB 4.18Å; V139-L349 HydrophobicContact CG2-CB 3.83Å; V139-L349 HydrophobicContact CG2-CD1 4.25Å; A345-L349 WeakPolarHBondContact O-CB 3.38Å; A345-L349 WeakPolarHBondContact O-CD1 3.39Å; A345-L349 WeakPolarHBondContact O-CG 3.33Å; A345-L349 PolarHBondContact O-N 3.32Å; L346-L349 PolarHBondContact O-N 2.88Å; C347-L349 VanDerWaalsContact C-N 3.32Å; C347-L349 PolarHBondContact O-N 3.48Å; L349-L351 VanDerWaalsContact C-N 3.3Å; L349-L351 PolarHBondContact O-N 2.95Å; L349-T352 PolarHBondContact O-N 3.25Å; L349-V353 WeakPolarHBondContact O-CG2 3.38Å; L349-V353 PolarHBondContact O-N 2.82Å
350A91.3Very high91.2Very high6 Ų625.4 Ų25.45%0.0512%0.124CC..Hα-helixtrans-62.9-36.9177.700000112.1L148 L346 C347 K354L148-A350 HydrophobicContact CD2-CB 3.81Å; L148-A350 HydrophobicContact CG-CB 4.42Å; L346-A350 VanDerWaalsContact O-CB 3.28Å; L346-A350 WeakPolarHBondContact O-CB 3.41Å; L346-A350 PolarHBondContact O-N 2.92Å; C347-A350 PolarHBondContact O-N 2.97Å; A350-K354 PolarHBondContact O-N 2.74Å
351L88.7Confident91.3Very high39 Ų3923 Ų2320%0.20412%0.115CC..Hα-helixtrans-67.8-43.4172.7-71.1163.7000111.9V46 C347 V348 L349 V353 K354 N355V46-L351 VanDerWaalsContact CA-CD1 3.47Å; V46-L351 HydrophobicContact CB-CD1 4.27Å; V46-L351 HydrophobicContact CG1-CD1 4.07Å; V46-L351 VanDerWaalsContact O-CD1 3.22Å; V46-L351 WeakPolarHBondContact O-CD1 3.47Å; C347-L351 WeakPolarHBondContact O-CG 3.32Å; C347-L351 PolarHBondContact O-N 2.87Å; V348-L351 PolarHBondContact O-N 2.96Å; L349-L351 VanDerWaalsContact C-N 3.3Å; L349-L351 PolarHBondContact O-N 2.95Å; L351-V353 VanDerWaalsContact C-N 3.26Å; L351-V353 PolarHBondContact O-N 2.85Å; L351-K354 CarbonylContact O-C 3.57Å; L351-K354 WeakPolarHBondContact O-CA 3.46Å; L351-K354 WeakPolarHBondContact O-CB 3.33Å; L351-K354 PolarHBondContact O-N 2.81Å; L351-N355 PolarHBondContact O-N 3.35Å
352T89.4Confident91.3Very high1 Ų123.9 Ų23.91%0.00612%0.124CC..Hα-helixtrans-62.8-33.6177.8-52.70000111.9L111 I114 V348 L349 K354 N355 P356 T358 A448L111-T352 HydrophobicContact CD2-CG2 3.79Å; I114-T352 HydrophobicContact CD1-CG2 3.64Å; V348-T352 WeakPolarHBondContact O-CB 3.42Å; V348-T352 PolarHBondContact O-N 2.99Å; V348-T352 PolarHBondContact O-OG1 2.86Å; L349-T352 PolarHBondContact O-N 3.25Å; T352-K354 VanDerWaalsContact C-N 3.33Å; T352-N355 WeakPolarHBondContact CA-O 3.49Å; T352-N355 CarbonylContact O-C 3.6Å; T352-N355 PolarHBondContact O-N 3.32Å; T352-N355 VanDerWaalsContact O-O 3.05Å; T352-P356 VanDerWaalsContact O-CA 3.26Å; T352-P356 WeakPolarHBondContact O-CA 3.14Å; T352-T358 HydrophobicContact CG2-CG2 4.4Å; T352-A448 WeakPolarHBondContact OG1-CB 3.28Å
353V88.4Confident91.4Very high47 Ų4723.9 Ų23.929%0.28512%0.124SC..Hα-helixtrans-66.4-34.9173.5171.30000111.8F107 L111 V139 L349 L351F107-V353 HydrophobicContact CE1-CG2 4.38Å; F107-V353 HydrophobicContact CZ-CG2 4.4Å; L111-V353 HydrophobicContact CD1-CG2 4.34Å; L111-V353 HydrophobicContact CD2-CG2 4.47Å; V139-V353 HydrophobicContact CG1-CG2 3.85Å; L349-V353 WeakPolarHBondContact O-CG2 3.38Å; L349-V353 PolarHBondContact O-N 2.82Å; L351-V353 VanDerWaalsContact C-N 3.26Å; L351-V353 PolarHBondContact O-N 2.85Å
354K87Confident91.5Very high137 Ų13720.1 Ų20.160%0.59611%0.107SC*.Hα-helixtrans-74.7-39.4174.5-68.2177.1-175.9170.40112.1A350 L351 T352A350-K354 PolarHBondContact O-N 2.74Å; L351-K354 CarbonylContact O-C 3.57Å; L351-K354 WeakPolarHBondContact O-CA 3.46Å; L351-K354 WeakPolarHBondContact O-CB 3.33Å; L351-K354 PolarHBondContact O-N 2.81Å; T352-K354 VanDerWaalsContact C-N 3.33Å
355N88.1Confident91.6Very high29 Ų2920 Ų2016%0.15511%0.106CC..SBendtrans-129.398.1179.1179.412.2000109.8L351 T352 R357 D450L351-N355 PolarHBondContact O-N 3.35Å; T352-N355 WeakPolarHBondContact CA-O 3.49Å; T352-N355 CarbonylContact O-C 3.6Å; T352-N355 PolarHBondContact O-N 3.32Å; T352-N355 VanDerWaalsContact O-O 3.05Å; N355-R357 PolarHBondContact ND2-NE 3.28Å; N355-R357 PolarHBondContact ND2-NH2 3.03Å; N355-R357 VanDerWaalsContact ND2-NH2 3.18Å; N355-R357 PolarHBondContact O-N 3.18Å; N355-R357 WeakPolarHBondContact OD1-CB 3.45Å; N355-R357 WeakPolarHBondContact OD1-CG 3.37Å; N355-R357 PolarHBondContact OD1-NE 3.34Å; N355-D450 WeakPolarHBondContact CB-OD2 3.22Å; N355-D450 VanDerWaalsContact ND2-CG 3.28Å; N355-D450 PolarHBondContact ND2-OD1 3.4Å; N355-D450 PolarHBondContact ND2-OD2 3.11Å
356P88.2Confident91.7Very high45 Ų4520.2 Ų20.229%0.29211%0.107SC..  trans-75.416.3-172.132.1-37.4000114.2F107 T352F107-P356 HydrophobicContact CE2-CB 3.94Å; T352-P356 VanDerWaalsContact O-CA 3.26Å; T352-P356 WeakPolarHBondContact O-CA 3.14Å
357R91.3Very high91.8Very high64 Ų6420 Ų2024%0.24211%0.106CC..  trans-77.8130.6177.8-70.7-173.3-70.4162.70.5110.3D93 Q98 N355 Y449D93-R357 IonicContact OD1-NH1 2.73Å; D93-R357 PolarHBondContact OD1-NH1 3.36Å; Q98-R357 HydrophobicContact CB-CG 4.08Å; Q98-R357 HydrophobicContact CG-CG 4.2Å; N355-R357 PolarHBondContact ND2-NE 3.28Å; N355-R357 PolarHBondContact ND2-NH2 3.03Å; N355-R357 VanDerWaalsContact ND2-NH2 3.18Å; N355-R357 PolarHBondContact O-N 3.18Å; N355-R357 WeakPolarHBondContact OD1-CB 3.45Å; N355-R357 WeakPolarHBondContact OD1-CG 3.37Å; N355-R357 PolarHBondContact OD1-NE 3.34Å; R357-Y449 HydrophobicContact CB-CD1 4.48Å; R357-Y449 HydrophobicContact CB-CG 4.02Å; R357-Y449 VanDerWaalsContact O-CB 3.25Å; R357-Y449 WeakPolarHBondContact O-CB 3.31Å; R357-Y449 PolarHBondContact O-N 2.79Å
358T92.8Very high91.9Very high6 Ų622 Ų224%0.03711%0.112CC..EExtended strand (participates in β ladder)trans-128.5154.2-177.5580000111.4H97 I114 T352 I446 E447H97-T358 PolarHBondContact N-O 3.17Å; H97-T358 PolarHBondContact O-N 3.01Å; H97-T358 VanDerWaalsContact O-N 3.13Å; H97-T358 PolarHBondContact O-OG1 3.37Å; I114-T358 HydrophobicContact CD1-CG2 3.8Å; T352-T358 HydrophobicContact CG2-CG2 4.4Å; T358-I446 HydrophobicContact CG2-CG2 4.05Å; T358-E447 WeakPolarHBondContact CA-O 3.35Å
359V93.9Very high92.1Very high2 Ų222 Ų221%0.01211%0.112CC..EExtended strand (participates in β ladder)trans-138.7157.4-178.5-67.80000110.6L92 A96 M365 E447 Y449 K452L92-V359 HydrophobicContact CD1-CG1 4Å; A96-V359 HydrophobicContact CB-CG1 4.19Å; V359-M365 HydrophobicContact CB-CG 3.63Å; V359-M365 HydrophobicContact CB-SD 3.89Å; V359-M365 HydrophobicContact CG1-CG 4.32Å; V359-M365 HydrophobicContact CG1-SD 4.25Å; V359-M365 HydrophobicContact CG2-CG 3.94Å; V359-E447 HydrophobicContact CG2-CB 4.42Å; V359-E447 PolarHBondContact N-O 2.72Å; V359-E447 PolarHBondContact O-N 2.94Å; V359-Y449 HydrophobicContact CG1-CD2 4.09Å; V359-K452 HydrophobicContact CG2-CG 3.86Å
360C93.5Very high92.3Very high3 Ų322 Ų222%0.0211%0.112CC..EExtended strand (participates in β ladder)trans-75129.2178.9-49.60000111.1A364 M365 M440 N441C360-A364 HydrophobicContact CB-CB 4.03Å; C360-M365 HydrophobicContact CB-CE 3.59Å; C360-M365 VanDerWaalsContact O-CG 3.29Å; C360-M365 WeakPolarHBondContact O-CG 3.35Å; C360-M440 HydrophobicContact CB-CB 3.8Å; C360-M440 HydrophobicContact CB-CG 4.45Å; C360-N441 PolarHBondContact SG-OD1 3.39Å
361G92.8Very high92.4Very high0 Ų023 Ų230%012%0.115CC..THydrogen-bonded Turntrans-82-150.2178.400000113.4G363 A364 I445 E447G361-G363 VanDerWaalsContact C-N 3.26Å; G361-G363 PolarHBondContact O-N 3.45Å; G361-G363 VanDerWaalsContact O-N 3.17Å; G361-A364 VanDerWaalsContact O-CB 3.29Å; G361-A364 WeakPolarHBondContact O-CB 3.46Å; G361-A364 PolarHBondContact O-N 3.13Å; G361-A364 VanDerWaalsContact O-N 3.11Å; G361-I445 PolarHBondContact N-O 2.98Å; G361-E447 VanDerWaalsContact CA-OE2 3.29Å; G361-E447 WeakPolarHBondContact CA-OE2 3.25Å
362G91.4Very high92.7Very high18 Ų1822.3 Ų22.319%0.18612%0.115CC..THydrogen-bonded Turntrans64.423.7169.600000115.5A364 L430G362-A364 VanDerWaalsContact C-N 3.33Å; G362-L430 PolarHBondContact O-N 3Å
363G93.4Very high93.1Very high1 Ų122.2 Ų22.21%0.0112%0.115CC..THydrogen-bonded Turntrans86.2-1.2-177.800000115.1G361 E366 M367G361-G363 VanDerWaalsContact C-N 3.26Å; G361-G363 PolarHBondContact O-N 3.45Å; G361-G363 VanDerWaalsContact O-N 3.17Å; G363-E366 VanDerWaalsContact CA-OE2 3.24Å; G363-E366 WeakPolarHBondContact CA-OE2 3.37Å; G363-M367 PolarHBondContact O-N 3.11Å; G363-M367 VanDerWaalsContact O-N 3.15Å
364A94.5Very high93.4Very high0 Ų021.2 Ų21.20%011%0.112CC..Hα-helixtrans-64.9-52-178.800000111.6C360 G361 G362 E366 M367 W368 H421 M428 M440C360-A364 HydrophobicContact CB-CB 4.03Å; G361-A364 VanDerWaalsContact O-CB 3.29Å; G361-A364 WeakPolarHBondContact O-CB 3.46Å; G361-A364 PolarHBondContact O-N 3.13Å; G361-A364 VanDerWaalsContact O-N 3.11Å; G362-A364 VanDerWaalsContact C-N 3.33Å; A364-E366 PolarHBondContact O-N 2.95Å; A364-M367 PolarHBondContact O-N 2.85Å; A364-W368 WeakPolarHBondContact O-CB 3.2Å; A364-W368 PolarHBondContact O-N 2.88Å; A364-H421 PolarHBondContact O-CE1 2.99Å; A364-M428 WeakPolarHBondContact CA-O 3.47Å; A364-M428 WeakPolarHBondContact CB-O 3.47Å; A364-M440 HydrophobicContact CB-CG 4.06Å
365M94.7Very high93.7Very high3 Ų319.3 Ų19.32%0.01511%0.105CC..Hα-helixtrans-65.5-37.9-179.9-71.6-41.288.900112.6L92 A95 V359 C360 M367 W368 M369 K426L92-M365 HydrophobicContact CD1-CB 4.1Å; L92-M365 HydrophobicContact CD1-CG 3.88Å; L92-M365 HydrophobicContact CD1-SD 4.31Å; A95-M365 HydrophobicContact CB-SD 3.68Å; V359-M365 HydrophobicContact CB-CG 3.63Å; V359-M365 HydrophobicContact CB-SD 3.89Å; V359-M365 HydrophobicContact CG1-CG 4.32Å; V359-M365 HydrophobicContact CG1-SD 4.25Å; V359-M365 HydrophobicContact CG2-CG 3.94Å; C360-M365 HydrophobicContact CB-CE 3.59Å; C360-M365 VanDerWaalsContact O-CG 3.29Å; C360-M365 WeakPolarHBondContact O-CG 3.35Å; M365-M367 VanDerWaalsContact C-N 3.3Å; M365-M367 PolarHBondContact O-N 2.83Å; M365-W368 PolarHBondContact O-N 3.39Å; M365-M369 HydrophobicContact CB-CE 4.4Å; M365-M369 WeakPolarHBondContact O-CB 3.4Å; M365-M369 WeakPolarHBondContact O-CE 3.24Å; M365-M369 VanDerWaalsContact O-CG 3.25Å; M365-M369 WeakPolarHBondContact O-CG 3.43Å; M365-M369 PolarHBondContact O-N 3.09Å; M365-K426 WeakPolarHBondContact CE-O 3.47Å
366E95.4Very high94Very high6 Ų618.5 Ų18.53%0.02810%0.103CC..Hα-helixtrans-59.8-42.6176.3-70.675.7-172.900111.4G363 A364 A370 L398 K452G363-E366 VanDerWaalsContact CA-OE2 3.24Å; G363-E366 WeakPolarHBondContact CA-OE2 3.37Å; A364-E366 PolarHBondContact O-N 2.95Å; E366-A370 VanDerWaalsContact O-CB 3.26Å; E366-A370 WeakPolarHBondContact O-CB 3.35Å; E366-A370 PolarHBondContact O-N 3.36Å; E366-L398 HydrophobicContact CG-CB 4.05Å; E366-L398 HydrophobicContact CG-CD1 3.55Å; E366-L398 HydrophobicContact CG-CG 4.46Å; E366-K452 WeakPolarHBondContact OE1-CE 3.47Å; E366-K452 IonicContact OE1-NZ 3.48Å; E366-K452 PolarHBondContact OE1-NZ 3.37Å; E366-K452 IonicContact OE2-NZ 3.57Å
367M95.4Very high94.3Very high0 Ų016.3 Ų16.30%09%0.089CC..Hα-helixtrans-68.6-41.9176.5-168.961.164.700111.8G363 A364 M365 M369 A370 E371 R396 P399 I414 L417 R418 H421G363-M367 PolarHBondContact O-N 3.11Å; G363-M367 VanDerWaalsContact O-N 3.15Å; A364-M367 PolarHBondContact O-N 2.85Å; M365-M367 VanDerWaalsContact C-N 3.3Å; M365-M367 PolarHBondContact O-N 2.83Å; M367-M369 PolarHBondContact O-N 3.43Å; M367-A370 WeakPolarHBondContact O-CB 3.46Å; M367-A370 PolarHBondContact O-N 3.41Å; M367-E371 PolarHBondContact O-N 2.89Å; M367-R396 HydrophobicContact CE-CB 4.42Å; M367-R396 HydrophobicContact CE-CG 3.94Å; M367-R396 HydrophobicContact SD-CG 3.8Å; M367-P399 HydrophobicContact CE-CG 4.3Å; M367-I414 HydrophobicContact CE-CD1 4.44Å; M367-I414 HydrophobicContact CE-CG2 3.98Å; M367-L417 HydrophobicContact CB-CD2 4.18Å; M367-L417 HydrophobicContact CB-CG 4.31Å; M367-L417 HydrophobicContact CE-CB 4.33Å; M367-L417 HydrophobicContact CE-CD2 3.8Å; M367-L417 HydrophobicContact CE-CG 4.09Å; M367-L417 HydrophobicContact CG-CD2 4.36Å; M367-L417 HydrophobicContact CG-CG 4.08Å; M367-R418 HydrophobicContact SD-CB 4.12Å; M367-H421 HydrophobicContact CG-CB 3.75Å; M367-H421 VanDerWaalsContact CG-CD2 3.5Å; M367-H421 WeakPolarHBondContact CG-CD2 3.38Å; M367-H421 VanDerWaalsContact CG-CG 3.47Å
368W95.3Very high94.4Very high54 Ų5417.3 Ų17.321%0.20511%0.111CC..Hα-helixtrans-59.8-47.4177.3-176.5-114.7000111.8A91 A364 M365 E371 A372 H421 K426A91-W368 PolarHBondContact O-NE1 3.34Å; A364-W368 WeakPolarHBondContact O-CB 3.2Å; A364-W368 PolarHBondContact O-N 2.88Å; M365-W368 PolarHBondContact O-N 3.39Å; W368-E371 PolarHBondContact O-N 2.9Å; W368-A372 PolarHBondContact O-N 3.1Å; W368-H421 AromaticContact CE3-ND1 3.75Å; W368-H421 PolarHBondContact N-ND1 2.95Å; W368-K426 HydrophobicContact CD2-CB 3.86Å; W368-K426 HydrophobicContact CE3-CB 3.83Å; W368-K426 HydrophobicContact CG-CB 4.37Å; W368-K426 HydrophobicContact CH2-CB 4.44Å; W368-K426 HydrophobicContact CZ2-CB 4.46Å; W368-K426 HydrophobicContact CZ3-CB 4.13Å
369M96.2Very high94.5Very high0 Ų025.3 Ų25.30%015%0.145CC..Hα-helixtrans-63.1-41.3174.6-69.4-173.8-67.600111.7A88 L92 M365 M367 E371 A372 V373 L395 V456A88-M369 HydrophobicContact CB-CB 3.97Å; A88-M369 HydrophobicContact CB-CG 4.19Å; A88-M369 HydrophobicContact CB-SD 4.12Å; A88-M369 WeakPolarHBondContact O-CG 3.16Å; L92-M369 HydrophobicContact CB-CG 4.43Å; L92-M369 HydrophobicContact CB-SD 4.02Å; L92-M369 HydrophobicContact CD1-SD 4.31Å; M365-M369 HydrophobicContact CB-CE 4.4Å; M365-M369 WeakPolarHBondContact O-CB 3.4Å; M365-M369 WeakPolarHBondContact O-CE 3.24Å; M365-M369 VanDerWaalsContact O-CG 3.25Å; M365-M369 WeakPolarHBondContact O-CG 3.43Å; M365-M369 PolarHBondContact O-N 3.09Å; M367-M369 PolarHBondContact O-N 3.43Å; M369-E371 VanDerWaalsContact C-N 3.3Å; M369-E371 PolarHBondContact O-N 2.87Å; M369-A372 PolarHBondContact O-N 3.29Å; M369-V373 WeakPolarHBondContact O-CB 3.42Å; M369-V373 VanDerWaalsContact O-CG2 3.27Å; M369-V373 WeakPolarHBondContact O-CG2 3.16Å; M369-V373 PolarHBondContact O-N 2.97Å; M369-L395 HydrophobicContact CB-CD1 3.8Å; M369-L395 HydrophobicContact CE-CD2 4.35Å; M369-V456 HydrophobicContact CE-CG2 3.7Å; M369-V456 HydrophobicContact SD-CG2 3.7Å
370A96Very high94.4Very high0 Ų026.9 Ų26.90%016%0.155CC..Hα-helixtrans-62.5-37.5177.900000112.6E366 M367 A374 G392 L395 R396E366-A370 VanDerWaalsContact O-CB 3.26Å; E366-A370 WeakPolarHBondContact O-CB 3.35Å; E366-A370 PolarHBondContact O-N 3.36Å; M367-A370 WeakPolarHBondContact O-CB 3.46Å; M367-A370 PolarHBondContact O-N 3.41Å; A370-A374 WeakPolarHBondContact O-CB 3.5Å; A370-A374 PolarHBondContact O-N 2.82Å; A370-G392 WeakPolarHBondContact CB-O 3.45Å; A370-L395 HydrophobicContact CB-CB 3.89Å; A370-L395 HydrophobicContact CB-CD1 4.3Å; A370-R396 HydrophobicContact CB-CG 3.69Å
371E95Very high94.2Very high27 Ų2732.2 Ų32.213%0.12619%0.19CC..Hα-helixtrans-70.3-44.1176.6-17552.7-148.700111.6M367 W368 M369 V373 A374 Q375 R396M367-E371 PolarHBondContact O-N 2.89Å; W368-E371 PolarHBondContact O-N 2.9Å; M369-E371 VanDerWaalsContact C-N 3.3Å; M369-E371 PolarHBondContact O-N 2.87Å; E371-V373 VanDerWaalsContact C-N 3.3Å; E371-V373 PolarHBondContact O-N 2.78Å; E371-A374 PolarHBondContact O-N 2.82Å; E371-A374 VanDerWaalsContact O-N 3.13Å; E371-Q375 WeakPolarHBondContact O-CG 3.22Å; E371-Q375 PolarHBondContact O-N 2.95Å; E371-Q375 WeakPolarHBondContact OE1-CG 3.43Å; E371-Q375 PolarHBondContact OE1-NE2 2.92Å; E371-R396 IonicContact OE2-NH2 3.82Å
372A95Very high94.1Very high25 Ų2535 Ų3521%0.20722%0.218CC..Hα-helixtrans-58.9-42.1173.900000112.3A91 W368 M369 Q375 G376A91-A372 HydrophobicContact CB-CB 3.48Å; A91-A372 VanDerWaalsContact CB-CB 3.48Å; W368-A372 PolarHBondContact O-N 3.1Å; M369-A372 PolarHBondContact O-N 3.29Å; A372-Q375 PolarHBondContact O-N 3.31Å; A372-G376 PolarHBondContact O-N 2.92Å
373V96.2Very high94.1Very high0 Ų040 Ų400%023%0.234CC..Hα-helixtrans-64.9-41.5174.9170.70000111.4A84 L87 A88 M369 E371 G376 A377 M388 F391A84-V373 HydrophobicContact CB-CG1 3.72Å; A84-V373 HydrophobicContact CB-CG2 4.17Å; A84-V373 WeakPolarHBondContact O-CG2 3.31Å; L87-V373 HydrophobicContact CB-CG2 4.43Å; A88-V373 HydrophobicContact CB-CG2 3.96Å; M369-V373 WeakPolarHBondContact O-CB 3.42Å; M369-V373 VanDerWaalsContact O-CG2 3.27Å; M369-V373 WeakPolarHBondContact O-CG2 3.16Å; M369-V373 PolarHBondContact O-N 2.97Å; E371-V373 VanDerWaalsContact C-N 3.3Å; E371-V373 PolarHBondContact O-N 2.78Å; V373-G376 PolarHBondContact O-N 3.06Å; V373-A377 WeakPolarHBondContact O-CB 3.16Å; V373-A377 PolarHBondContact O-N 3.31Å; V373-M388 HydrophobicContact CG1-CB 4.4Å; V373-M388 WeakPolarHBondContact CG1-O 3.49Å; V373-F391 HydrophobicContact CG1-CB 4.37Å; V373-F391 HydrophobicContact CG1-CD1 4.42Å; V373-F391 HydrophobicContact CG2-CD1 4.23Å
374A94.7Very high94.1Very high26 Ų2641.8 Ų41.822%0.21524%0.243CC..Hα-helixtrans-64.5-42177.700000112.3A370 E371 G376 A377 A378A370-A374 WeakPolarHBondContact O-CB 3.5Å; A370-A374 PolarHBondContact O-N 2.82Å; E371-A374 PolarHBondContact O-N 2.82Å; E371-A374 VanDerWaalsContact O-N 3.13Å; A374-G376 VanDerWaalsContact C-N 3.34Å; A374-A377 PolarHBondContact O-N 2.72Å; A374-A378 PolarHBondContact O-N 3.5Å
375Q94.2Very high94.1Very high97 Ų9742.6 Ų42.645%0.45325%0.249SC..Hα-helixtrans-66.3-36.4174.9-68.4177.614.400112.3E371 A372 K379E371-Q375 WeakPolarHBondContact O-CG 3.22Å; E371-Q375 PolarHBondContact O-N 2.95Å; E371-Q375 WeakPolarHBondContact OE1-CG 3.43Å; E371-Q375 PolarHBondContact OE1-NE2 2.92Å; A372-Q375 PolarHBondContact O-N 3.31Å; Q375-K379 WeakPolarHBondContact O-CG 3.31Å
376G94.2Very high94.1Very high11 Ų1145.9 Ų45.911%0.11327%0.267CS..Hα-helixtrans-63.6-46.3171.200000112.3A372 V373 A374 A378 K379 T380A372-G376 PolarHBondContact O-N 2.92Å; V373-G376 PolarHBondContact O-N 3.06Å; A374-G376 VanDerWaalsContact C-N 3.34Å; G376-A378 VanDerWaalsContact C-N 3.31Å; G376-A378 PolarHBondContact O-N 2.75Å; G376-K379 PolarHBondContact O-N 3.4Å; G376-T380 PolarHBondContact O-N 3.13Å; G376-T380 VanDerWaalsContact O-N 3.14Å; G376-T380 PolarHBondContact O-OG1 3.22Å
377A94.9Very high94.1Very high0 Ų045.6 Ų45.60%027%0.265CS..Hα-helixtrans-59.3-40.8178.500000112V373 A374 K379 T380 S385 M388 E389V373-A377 WeakPolarHBondContact O-CB 3.16Å; V373-A377 PolarHBondContact O-N 3.31Å; A374-A377 PolarHBondContact O-N 2.72Å; A377-K379 PolarHBondContact O-N 2.88Å; A377-T380 PolarHBondContact O-N 3.14Å; A377-S385 WeakPolarHBondContact O-CB 3.48Å; A377-S385 PolarHBondContact O-OG 3.22Å; A377-M388 HydrophobicContact CB-CB 3.62Å; A377-E389 HydrophobicContact CB-CG 3.75Å
378A93.9Very high94.1Very high85 Ų8545.7 Ų45.770%0.70227%0.266SS*.Hα-helixtrans-62.5-25176.400000113.8A374 G376A374-A378 PolarHBondContact O-N 3.5Å; G376-A378 VanDerWaalsContact C-N 3.31Å; G376-A378 PolarHBondContact O-N 2.75Å
379K93.8Very high94.1Very high173 Ų17346.8 Ų46.875%0.75227%0.273SS*.Hα-helixtrans-89.5-22.2177.4-66172.2-174.91720112.7Q375 G376 A377Q375-K379 WeakPolarHBondContact O-CG 3.31Å; G376-K379 PolarHBondContact O-N 3.4Å; A377-K379 PolarHBondContact O-N 2.88Å
380T92.4Very high94.1Very high35 Ų3546.8 Ų46.822%0.21527%0.273CS..SBendtrans-84.5125.6-179.2-59.40000110.6G376 A377 I384 S385 M388G376-T380 PolarHBondContact O-N 3.13Å; G376-T380 VanDerWaalsContact O-N 3.14Å; G376-T380 PolarHBondContact O-OG1 3.22Å; A377-T380 PolarHBondContact O-N 3.14Å; T380-I384 HydrophobicContact CG2-CB 4.11Å; T380-I384 HydrophobicContact CG2-CG2 3.93Å; T380-S385 VanDerWaalsContact O-CB 3.28Å; T380-S385 WeakPolarHBondContact O-CB 3.2Å; T380-M388 HydrophobicContact CG2-SD 4.05Å; T380-M388 PolarHBondContact OG1-SD 2.79Å
381P88.8Confident94.1Very high116 Ų11646.8 Ų46.875%0.75327%0.273SS*.  trans-79.5149.417730.7-33.7000112.6
382G90.3Very high94.2Very high58 Ų5845.5 Ų45.560%0.59827%0.267SS*.SBendtrans85.2-161.7166.300000115.4I384 S385G382-I384 PolarHBondContact O-N 3.13Å; G382-S385 VanDerWaalsContact O-CB 3.3Å; G382-S385 WeakPolarHBondContact O-CB 3.31Å; G382-S385 PolarHBondContact O-N 3.37Å
383K91.9Very high94.2Very high122 Ų12248.5 Ų48.553%0.5327%0.273SS..Hα-helixtrans-64.6-23.3-172.3-65.4-177.6179.3-1740113.8L72 T76 S385 L386 A387L72-K383 HydrophobicContact CD2-CB 4.2Å; L72-K383 HydrophobicContact CG-CB 4.44Å; L72-K383 HydrophobicContact CG-CD 4.39Å; T76-K383 HydrophobicContact CG2-CB 3.96Å; K383-S385 VanDerWaalsContact C-N 3.27Å; K383-S385 PolarHBondContact O-N 3.03Å; K383-L386 PolarHBondContact O-N 2.96Å; K383-A387 PolarHBondContact O-N 3.39Å
384I93.6Very high94.2Very high39 Ų3948.5 Ų48.520%0.227%0.273CS..Hα-helixtrans-62.9-37.6177.2-62.2176.7000110.3T76 T380 G382 L386 A387 M388T76-I384 HydrophobicContact CG2-CG1 3.98Å; T380-I384 HydrophobicContact CG2-CB 4.11Å; T380-I384 HydrophobicContact CG2-CG2 3.93Å; G382-I384 PolarHBondContact O-N 3.13Å; I384-L386 VanDerWaalsContact C-N 3.34Å; I384-L386 PolarHBondContact O-N 3.44Å; I384-A387 WeakPolarHBondContact O-CB 3.4Å; I384-A387 PolarHBondContact O-N 3.19Å; I384-A387 VanDerWaalsContact O-N 3.09Å; I384-M388 HydrophobicContact CG2-CG 4.47Å; I384-M388 HydrophobicContact CG2-SD 4.3Å; I384-M388 WeakPolarHBondContact O-CG 3.4Å; I384-M388 PolarHBondContact O-N 2.88Å
385S94.8Very high94.3Very high17 Ų1747.2 Ų47.212%0.11926%0.263CS..Hα-helixtrans-56.6-45.2176.1-176.80000112.4A377 T380 G382 K383 A387 M388 E389A377-S385 WeakPolarHBondContact O-CB 3.48Å; A377-S385 PolarHBondContact O-OG 3.22Å; T380-S385 VanDerWaalsContact O-CB 3.28Å; T380-S385 WeakPolarHBondContact O-CB 3.2Å; G382-S385 VanDerWaalsContact O-CB 3.3Å; G382-S385 WeakPolarHBondContact O-CB 3.31Å; G382-S385 PolarHBondContact O-N 3.37Å; K383-S385 VanDerWaalsContact C-N 3.27Å; K383-S385 PolarHBondContact O-N 3.03Å; S385-A387 VanDerWaalsContact C-N 3.27Å; S385-A387 PolarHBondContact O-N 2.87Å; S385-M388 WeakPolarHBondContact O-CB 3.2Å; S385-M388 PolarHBondContact O-N 3.42Å; S385-E389 WeakPolarHBondContact O-CG 3.28Å; S385-E389 PolarHBondContact O-N 3.48Å
386L94.3Very high94.4Very high73 Ų7344.6 Ų44.638%0.38225%0.249SC..Hα-helixtrans-60.8-37.3177.6-62.7174.8000112.2L67 L72 K383 I384 S390L67-L386 HydrophobicContact CD2-CB 4.31Å; L72-L386 HydrophobicContact CD1-CD1 4.43Å; L72-L386 HydrophobicContact CD2-CB 4.23Å; L72-L386 HydrophobicContact CD2-CD1 4.41Å; K383-L386 PolarHBondContact O-N 2.96Å; I384-L386 VanDerWaalsContact C-N 3.34Å; I384-L386 PolarHBondContact O-N 3.44Å; L386-S390 WeakPolarHBondContact O-CB 3.3Å; L386-S390 PolarHBondContact O-N 3.18Å; L386-S390 VanDerWaalsContact O-N 3.08Å
387A94.9Very high94.4Very high0 Ų049.9 Ų49.90%027%0.265CS..Hα-helixtrans-69.3-39.2174.600000111.9L67 I77 W81 K383 I384 S385 S390 F391L67-A387 HydrophobicContact CD1-CB 4.15Å; I77-A387 HydrophobicContact CG2-CB 4.43Å; W81-A387 VanDerWaalsContact CD1-O 3.26Å; W81-A387 PolarHBondContact NE1-O 2.89Å; K383-A387 PolarHBondContact O-N 3.39Å; I384-A387 WeakPolarHBondContact O-CB 3.4Å; I384-A387 PolarHBondContact O-N 3.19Å; I384-A387 VanDerWaalsContact O-N 3.09Å; S385-A387 VanDerWaalsContact C-N 3.27Å; S385-A387 PolarHBondContact O-N 2.87Å; A387-S390 WeakPolarHBondContact O-CB 3.43Å; A387-S390 PolarHBondContact O-N 3.29Å; A387-S390 PolarHBondContact O-OG 3.02Å; A387-F391 PolarHBondContact O-N 3.36Å
388M96.3Very high94.5Very high1 Ų150.4 Ų50.41%0.00527%0.268CS..Hα-helixtrans-63.8-45.3173.2-65.1173.172.800111.9G80 E83 A84 L87 V373 A377 T380 I384 S385 S390 F391 G392G80-M388 VanDerWaalsContact O-CG 3.31Å; G80-M388 WeakPolarHBondContact O-CG 3.4Å; E83-M388 HydrophobicContact CB-CE 4.41Å; E83-M388 HydrophobicContact CB-SD 4.34Å; A84-M388 HydrophobicContact CB-CB 4.38Å; A84-M388 HydrophobicContact CB-CG 4.3Å; L87-M388 HydrophobicContact CD1-CE 3.44Å; L87-M388 VanDerWaalsContact CD1-CE 3.44Å; V373-M388 HydrophobicContact CG1-CB 4.4Å; V373-M388 WeakPolarHBondContact CG1-O 3.49Å; A377-M388 HydrophobicContact CB-CB 3.62Å; T380-M388 HydrophobicContact CG2-SD 4.05Å; T380-M388 PolarHBondContact OG1-SD 2.79Å; I384-M388 HydrophobicContact CG2-CG 4.47Å; I384-M388 HydrophobicContact CG2-SD 4.3Å; I384-M388 WeakPolarHBondContact O-CG 3.4Å; I384-M388 PolarHBondContact O-N 2.88Å; S385-M388 WeakPolarHBondContact O-CB 3.2Å; S385-M388 PolarHBondContact O-N 3.42Å; M388-S390 PolarHBondContact O-N 3.39Å; M388-F391 WeakPolarHBondContact O-CB 3.19Å; M388-F391 PolarHBondContact O-N 3.39Å; M388-F391 VanDerWaalsContact O-N 3.08Å; M388-G392 PolarHBondContact O-N 2.76Å; M388-G392 VanDerWaalsContact O-N 3.09Å
389E95.5Very high94.5Very high77 Ų7746.4 Ų46.436%0.3624%0.235SC..Hα-helixtrans-58.6-37.6175.7-72.1-177.9172.300112.3A377 S385 F391 G392 R393A377-E389 HydrophobicContact CB-CG 3.75Å; S385-E389 WeakPolarHBondContact O-CG 3.28Å; S385-E389 PolarHBondContact O-N 3.48Å; E389-F391 VanDerWaalsContact C-N 3.32Å; E389-G392 PolarHBondContact O-N 2.74Å; E389-R393 WeakPolarHBondContact O-CG 3.12Å; E389-R393 PolarHBondContact O-N 2.81Å
390S95.8Very high94.6Very high0 Ų038.6 Ų38.60%020%0.202CC..Hα-helixtrans-64.2-37176.7840000112.1L67 W81 L386 A387 M388 R393 A394L67-S390 WeakPolarHBondContact CD1-OG 3.32Å; W81-S390 PolarHBondContact NE1-OG 3.23Å; L386-S390 WeakPolarHBondContact O-CB 3.3Å; L386-S390 PolarHBondContact O-N 3.18Å; L386-S390 VanDerWaalsContact O-N 3.08Å; A387-S390 WeakPolarHBondContact O-CB 3.43Å; A387-S390 PolarHBondContact O-N 3.29Å; A387-S390 PolarHBondContact O-OG 3.02Å; M388-S390 PolarHBondContact O-N 3.39Å; S390-R393 WeakPolarHBondContact O-CB 3.3Å; S390-R393 PolarHBondContact O-N 3.25Å; S390-A394 PolarHBondContact O-N 3.02Å
391F96.7Very high94.7Very high0 Ų039.2 Ų39.20%020%0.203CC..Hα-helixtrans-65.4-44.6174.6-166.9-81.9000111L60 W81 A84 A88 V373 A387 M388 E389 R393 A394 L395 V456 A460L60-F391 HydrophobicContact CD1-CD2 4.27Å; L60-F391 HydrophobicContact CD1-CE2 3.84Å; L60-F391 HydrophobicContact CD2-CB 4.27Å; L60-F391 HydrophobicContact CD2-CD2 3.31Å; L60-F391 HydrophobicContact CD2-CE2 3.75Å; L60-F391 HydrophobicContact CD2-CG 3.91Å; L60-F391 HydrophobicContact CG-CD2 4.45Å; L60-F391 HydrophobicContact CG-CE2 4.46Å; W81-F391 HydrophobicContact CB-CD2 4.22Å; W81-F391 AromaticContact CD1-CD2 3.99Å; W81-F391 HydrophobicContact CG-CD2 4.1Å; A84-F391 HydrophobicContact CB-CB 3.62Å; A84-F391 HydrophobicContact CB-CD1 3.77Å; A84-F391 HydrophobicContact CB-CD2 4.14Å; A84-F391 HydrophobicContact CB-CE1 4.48Å; A84-F391 HydrophobicContact CB-CG 3.57Å; A88-F391 HydrophobicContact CB-CE1 4.29Å; V373-F391 HydrophobicContact CG1-CB 4.37Å; V373-F391 HydrophobicContact CG1-CD1 4.42Å; V373-F391 HydrophobicContact CG2-CD1 4.23Å; A387-F391 PolarHBondContact O-N 3.36Å; M388-F391 WeakPolarHBondContact O-CB 3.19Å; M388-F391 PolarHBondContact O-N 3.39Å; M388-F391 VanDerWaalsContact O-N 3.08Å; E389-F391 VanDerWaalsContact C-N 3.32Å; F391-R393 VanDerWaalsContact C-N 3.31Å; F391-R393 PolarHBondContact O-N 2.88Å; F391-A394 PolarHBondContact O-N 2.92Å; F391-L395 HydrophobicContact CD1-CD1 3.87Å; F391-L395 HydrophobicContact CD1-CG 4.19Å; F391-L395 HydrophobicContact CE1-CD1 3.72Å; F391-L395 HydrophobicContact CE1-CD2 4.46Å; F391-L395 HydrophobicContact CE1-CG 4.01Å; F391-L395 PolarHBondContact O-N 3.44Å; F391-V456 HydrophobicContact CZ-CG1 4.19Å; F391-A460 HydrophobicContact CE2-CB 4.19Å
392G95.6Very high94.9Very high1 Ų137 Ų371%0.0118%0.184CC..Hα-helixtrans-61.1-37.4173.800000112.8A370 M388 E389 R396A370-G392 WeakPolarHBondContact CB-O 3.45Å; M388-G392 PolarHBondContact O-N 2.76Å; M388-G392 VanDerWaalsContact O-N 3.09Å; E389-G392 PolarHBondContact O-N 2.74Å; G392-R396 WeakPolarHBondContact O-CG 3.22Å; G392-R396 PolarHBondContact O-N 2.65Å
393R95.7Very high95.1Very high87 Ų8734.2 Ų34.233%0.32816%0.156SC..Hα-helixtrans-64.2-44.4173-78.9-177.3-97.8158.4-16.8112.4E63 E389 S390 F391 L395 R396 R397E63-R393 IonicContact OE2-CZ 3.11Å; E63-R393 IonicContact OE2-NE 3.38Å; E63-R393 IonicContact OE2-NH1 3.6Å; E63-R393 PolarHBondContact OE2-NH1 3.21Å; E389-R393 WeakPolarHBondContact O-CG 3.12Å; E389-R393 PolarHBondContact O-N 2.81Å; S390-R393 WeakPolarHBondContact O-CB 3.3Å; S390-R393 PolarHBondContact O-N 3.25Å; F391-R393 VanDerWaalsContact C-N 3.31Å; F391-R393 PolarHBondContact O-N 2.88Å; R393-L395 PolarHBondContact O-N 3.46Å; R393-R396 PolarHBondContact O-N 2.96Å; R393-R397 PolarHBondContact O-N 3.04Å
394A96.9Very high95.2Very high0 Ų032.4 Ų32.40%015%0.152CC..Hα-helixtrans-61.3-41.9176.900000112L56 E59 L60 E63 S390 F391 R396 R397L56-A394 HydrophobicContact CD1-CB 4.28Å; E59-A394 HydrophobicContact CB-CB 4.15Å; L60-A394 HydrophobicContact CD2-CB 3.6Å; L60-A394 HydrophobicContact CG-CB 3.93Å; E63-A394 HydrophobicContact CG-CB 4.42Å; S390-A394 PolarHBondContact O-N 3.02Å; F391-A394 PolarHBondContact O-N 2.92Å; A394-R396 VanDerWaalsContact C-N 3.34Å; A394-R396 PolarHBondContact O-N 3.17Å; A394-R397 WeakPolarHBondContact O-CB 3.27Å; A394-R397 PolarHBondContact O-N 3.32Å; A394-R397 VanDerWaalsContact O-N 3.1Å
395L96.3Very high95.1Very high0 Ų037 Ų370%018%0.177CC..Hα-helixtrans-59.1-42.7174-76.7173.3000112.4L56 M369 A370 F391 R393 R397 L398 P399L56-L395 HydrophobicContact CD1-CD2 3.96Å; L56-L395 HydrophobicContact CD1-CG 4.42Å; L56-L395 HydrophobicContact CD2-CD2 3.99Å; M369-L395 HydrophobicContact CB-CD1 3.8Å; M369-L395 HydrophobicContact CE-CD2 4.35Å; A370-L395 HydrophobicContact CB-CB 3.89Å; A370-L395 HydrophobicContact CB-CD1 4.3Å; F391-L395 HydrophobicContact CD1-CD1 3.87Å; F391-L395 HydrophobicContact CD1-CG 4.19Å; F391-L395 HydrophobicContact CE1-CD1 3.72Å; F391-L395 HydrophobicContact CE1-CD2 4.46Å; F391-L395 HydrophobicContact CE1-CG 4.01Å; F391-L395 PolarHBondContact O-N 3.44Å; R393-L395 PolarHBondContact O-N 3.46Å; L395-R397 PolarHBondContact O-N 2.89Å; L395-L398 PolarHBondContact O-N 3.41Å; L395-P399 VanDerWaalsContact O-CD 3.31Å; L395-P399 WeakPolarHBondContact O-CD 3.4Å
396R95.4Very high94.9Very high42 Ų4238 Ų3816%0.15819%0.191CC..Hα-helixtrans-66.4-18.6177.2-66.4-179.4-168.7126.5-0.1113.6M367 A370 E371 G392 R393 A394 L398 P399 S400M367-R396 HydrophobicContact CE-CB 4.42Å; M367-R396 HydrophobicContact CE-CG 3.94Å; M367-R396 HydrophobicContact SD-CG 3.8Å; A370-R396 HydrophobicContact CB-CG 3.69Å; E371-R396 IonicContact OE2-NH2 3.82Å; G392-R396 WeakPolarHBondContact O-CG 3.22Å; G392-R396 PolarHBondContact O-N 2.65Å; R393-R396 PolarHBondContact O-N 2.96Å; A394-R396 VanDerWaalsContact C-N 3.34Å; A394-R396 PolarHBondContact O-N 3.17Å; R396-L398 VanDerWaalsContact C-N 3.32Å; R396-P399 WeakPolarHBondContact O-CD 3.38Å; R396-P399 WeakPolarHBondContact O-CG 3.46Å; R396-S400 PolarHBondContact O-N 3.15Å
397R95.7Very high94.8Very high121 Ų12137.8 Ų37.846%0.45721%0.206SC..Hα-helixtrans-70.7-27175.8-71.2-62.8-173.1-173.81.1112.8E59 R393 A394 L395 S400 I401E59-R397 HydrophobicContact CB-CB 4.38Å; E59-R397 HydrophobicContact CG-CB 3.87Å; E59-R397 HydrophobicContact CG-CG 4.35Å; R393-R397 PolarHBondContact O-N 3.04Å; A394-R397 WeakPolarHBondContact O-CB 3.27Å; A394-R397 PolarHBondContact O-N 3.32Å; A394-R397 VanDerWaalsContact O-N 3.1Å; L395-R397 PolarHBondContact O-N 2.89Å; R397-S400 WeakPolarHBondContact O-CB 3.33Å; R397-S400 PolarHBondContact O-N 3.23Å; R397-I401 WeakPolarHBondContact O-CD1 3.39Å; R397-I401 VanDerWaalsContact O-CG1 3.23Å; R397-I401 WeakPolarHBondContact O-CG1 2.91Å; R397-I401 PolarHBondContact O-N 3.06Å
398L95.6Very high94.6Very high12 Ų1241.4 Ų41.46%0.06322%0.22CC..Hα-helixtrans-58.6-58.3176.3-69.5173.2000112.5V55 L56 E366 L395 R396 S400 I401 I402 L455V55-L398 HydrophobicContact CB-CD2 4.04Å; V55-L398 HydrophobicContact CG1-CD2 3.7Å; L56-L398 HydrophobicContact CB-CD1 4.21Å; L56-L398 HydrophobicContact CB-CD2 4.38Å; L56-L398 HydrophobicContact CD1-CD1 4.22Å; L56-L398 HydrophobicContact CD2-CD1 4.43Å; E366-L398 HydrophobicContact CG-CB 4.05Å; E366-L398 HydrophobicContact CG-CD1 3.55Å; E366-L398 HydrophobicContact CG-CG 4.46Å; L395-L398 PolarHBondContact O-N 3.41Å; R396-L398 VanDerWaalsContact C-N 3.32Å; L398-S400 VanDerWaalsContact C-N 3.25Å; L398-S400 PolarHBondContact O-N 3.43Å; L398-I401 PolarHBondContact O-N 3.14Å; L398-I402 WeakPolarHBondContact O-CG1 3.07Å; L398-I402 PolarHBondContact O-N 2.88Å; L398-I402 VanDerWaalsContact O-N 3.12Å; L398-L455 HydrophobicContact CD1-CD2 4.38Å
399P95.3Very high94.5Very high0 Ų046.2 Ų46.20%025%0.246CC..Hα-helixtrans-63.8-30.5175.924.4-33.2000112.6M367 L395 R396 I401 I402 A403 I414 L417 L430M367-P399 HydrophobicContact CE-CG 4.3Å; L395-P399 VanDerWaalsContact O-CD 3.31Å; L395-P399 WeakPolarHBondContact O-CD 3.4Å; R396-P399 WeakPolarHBondContact O-CD 3.38Å; R396-P399 WeakPolarHBondContact O-CG 3.46Å; P399-I401 PolarHBondContact O-N 3.01Å; P399-I402 PolarHBondContact O-N 3.3Å; P399-A403 PolarHBondContact O-N 3.14Å; P399-I414 HydrophobicContact CB-CD1 3.57Å; P399-I414 HydrophobicContact CG-CD1 3.77Å; P399-L417 HydrophobicContact CB-CD2 4.42Å; P399-L430 HydrophobicContact CB-CD1 3.75Å; P399-L430 VanDerWaalsContact O-CD1 3.29Å; P399-L430 WeakPolarHBondContact O-CD1 3.49Å
400S95.3Very high94.3Very high9 Ų943.4 Ų43.46%0.06324%0.235CC..Hα-helixtrans-59-46.5173.7-173.10000111.4R396 R397 L398 I402 A403 D404R396-S400 PolarHBondContact O-N 3.15Å; R397-S400 WeakPolarHBondContact O-CB 3.33Å; R397-S400 PolarHBondContact O-N 3.23Å; L398-S400 VanDerWaalsContact C-N 3.25Å; L398-S400 PolarHBondContact O-N 3.43Å; S400-I402 VanDerWaalsContact C-N 3.31Å; S400-I402 PolarHBondContact O-N 3.14Å; S400-A403 PolarHBondContact O-N 3.45Å; S400-D404 VanDerWaalsContact O-CG 3.22Å; S400-D404 PolarHBondContact O-N 2.77Å
401I94.7Very high94.2Very high48 Ų4846.8 Ų46.825%0.24626%0.262CS..Hα-helixtrans-67.4-34.1179.4-67.9162.4000110.9V55 E59 R397 L398 P399 N405V55-I401 HydrophobicContact CG1-CD1 3.39Å; E59-I401 HydrophobicContact CG-CD1 4.48Å; R397-I401 WeakPolarHBondContact O-CD1 3.39Å; R397-I401 VanDerWaalsContact O-CG1 3.23Å; R397-I401 WeakPolarHBondContact O-CG1 2.91Å; R397-I401 PolarHBondContact O-N 3.06Å; L398-I401 PolarHBondContact O-N 3.14Å; P399-I401 PolarHBondContact O-N 3.01Å; I401-N405 WeakPolarHBondContact O-CB 2.98Å; I401-N405 VanDerWaalsContact O-CG 3.25Å; I401-N405 PolarHBondContact O-N 3.12Å; I401-N405 PolarHBondContact O-ND2 3.2Å
402I93.3Very high94.1Very high69 Ų6950.5 Ų50.535%0.35428%0.282SS..Hα-helixtrans-62.6-49.5173-64.9170.6000110L398 P399 S400 D404 N405 G406 L430 M432L398-I402 WeakPolarHBondContact O-CG1 3.07Å; L398-I402 PolarHBondContact O-N 2.88Å; L398-I402 VanDerWaalsContact O-N 3.12Å; P399-I402 PolarHBondContact O-N 3.3Å; S400-I402 VanDerWaalsContact C-N 3.31Å; S400-I402 PolarHBondContact O-N 3.14Å; I402-D404 PolarHBondContact O-N 2.81Å; I402-N405 PolarHBondContact O-N 3.42Å; I402-G406 PolarHBondContact O-N 2.89Å; I402-G406 VanDerWaalsContact O-N 3.1Å; I402-L430 HydrophobicContact CG2-CD1 4.49Å; I402-M432 HydrophobicContact CG2-CE 4.13Å; I402-M432 HydrophobicContact CG2-CG 3.99Å; I402-M432 HydrophobicContact CG2-SD 3.8Å; I402-M432 WeakPolarHBondContact O-CE 3.03Å
403A93.9Very high94Very high0 Ų050.9 Ų50.90%028%0.284CS..Hα-helixtrans-60.1-44.3177.300000112.5P399 S400 N405 G406 G407 Y408 L413 L430P399-A403 PolarHBondContact O-N 3.14Å; S400-A403 PolarHBondContact O-N 3.45Å; A403-N405 PolarHBondContact O-N 3.48Å; A403-G406 PolarHBondContact O-N 2.83Å; A403-G406 VanDerWaalsContact O-N 3.14Å; A403-G407 PolarHBondContact O-N 3.42Å; A403-Y408 PolarHBondContact O-N 3.02Å; A403-L413 HydrophobicContact CB-CD1 4.23Å; A403-L430 HydrophobicContact CB-CD1 4.24Å
404D93.8Very high93.9Very high84 Ų8447.9 Ų47.945%0.44927%0.274SS..Hα-helixtrans-60.6-43.3177.1-71.1-30.3000111.6S400 I402 G406 G407 S410S400-D404 VanDerWaalsContact O-CG 3.22Å; S400-D404 PolarHBondContact O-N 2.77Å; I402-D404 PolarHBondContact O-N 2.81Å; D404-G406 VanDerWaalsContact C-N 3.26Å; D404-G406 PolarHBondContact O-N 2.82Å; D404-G407 PolarHBondContact O-N 2.86Å; D404-S410 WeakPolarHBondContact OD1-CB 3.04Å; D404-S410 PolarHBondContact OD1-OG 3.17Å
405N92.1Very high93.8Very high136 Ų13651.5 Ų51.573%0.72730%0.299SS*.Hα-helixtrans-67.7-25.9177.4-75.8-36.5000113.1I401 I402 A403 G407I401-N405 WeakPolarHBondContact O-CB 2.98Å; I401-N405 VanDerWaalsContact O-CG 3.25Å; I401-N405 PolarHBondContact O-N 3.12Å; I401-N405 PolarHBondContact O-ND2 3.2Å; I402-N405 PolarHBondContact O-N 3.42Å; A403-N405 PolarHBondContact O-N 3.48Å; N405-G407 VanDerWaalsContact C-N 3.31Å
406G89.2Confident93.6Very high39 Ų3955.5 Ų55.540%0.40232%0.318SS..Hα-helixtrans-78.9-12.4171.300000114.3I402 A403 D404 M432I402-G406 PolarHBondContact O-N 2.89Å; I402-G406 VanDerWaalsContact O-N 3.1Å; A403-G406 PolarHBondContact O-N 2.83Å; A403-G406 VanDerWaalsContact O-N 3.14Å; D404-G406 VanDerWaalsContact C-N 3.26Å; D404-G406 PolarHBondContact O-N 2.82Å; G406-M432 VanDerWaalsContact CA-CE 3.49Å
407G91.9Very high93.5Very high68 Ų6853.5 Ų53.570%0.70131%0.311SS*.THydrogen-bonded Turntrans79.919-177.900000114.6A403 D404 N405A403-G407 PolarHBondContact O-N 3.42Å; D404-G407 PolarHBondContact O-N 2.86Å; N405-G407 VanDerWaalsContact C-N 3.31Å
408Y92.4Very high93.4Very high75 Ų7554.3 Ų54.329%0.29431%0.314SS..SBendtrans-92.6168.4176.5-59.5-72.5000112A403 S410 L413 M432 N433A403-Y408 PolarHBondContact O-N 3.02Å; Y408-S410 PolarHBondContact O-N 2.93Å; Y408-L413 HydrophobicContact CG-CD1 4.33Å; Y408-M432 HydrophobicContact CD2-CE 3.71Å; Y408-M432 HydrophobicContact CD2-SD 4.36Å; Y408-M432 HydrophobicContact CE2-CE 3.85Å; Y408-M432 WeakPolarHBondContact CE2-O 3.41Å; Y408-M432 HydrophobicContact CE2-SD 4.5Å; Y408-M432 PolarHBondContact OH-O 3.14Å; Y408-N433 PolarHBondContact OH-O 2.72Å
409D93.2Very high93.3Very high103 Ų10356.2 Ų56.255%0.55133%0.331SS*.  trans-73.393.3171.5-172-10.4000110.1A411 D412 L413D409-A411 PolarHBondContact O-N 3.11Å; D409-A411 WeakPolarHBondContact OD1-CB 3.25Å; D409-A411 PolarHBondContact OD1-N 2.92Å; D409-D412 HydrophobicContact CB-CB 4.27Å; D409-D412 PolarHBondContact O-N 3.39Å; D409-D412 PolarHBondContact OD1-N 3.35Å; D409-L413 WeakPolarHBondContact O-CG 3.49Å; D409-L413 PolarHBondContact O-N 3.49Å; D409-L413 VanDerWaalsContact O-N 3.12Å
410S92.6Very high93.2Very high18 Ų1857.2 Ų57.213%0.12634%0.338CS..Hα-helixtrans-61.7-30179.160.40000112.6D404 Y408 I414D404-S410 WeakPolarHBondContact OD1-CB 3.04Å; D404-S410 PolarHBondContact OD1-OG 3.17Å; Y408-S410 PolarHBondContact O-N 2.93Å; S410-I414 WeakPolarHBondContact O-CB 3.49Å; S410-I414 WeakPolarHBondContact O-CG1 3.42Å; S410-I414 PolarHBondContact O-N 2.79Å
411A92.9Very high93.1Very high70 Ų7056.9 Ų56.958%0.57934%0.336SS*.Hα-helixtrans-68.3-44.1-179.100000111.3D409 S415D409-A411 PolarHBondContact O-N 3.11Å; D409-A411 WeakPolarHBondContact OD1-CB 3.25Å; D409-A411 PolarHBondContact OD1-N 2.92Å; A411-S415 VanDerWaalsContact O-CB 3.28Å; A411-S415 WeakPolarHBondContact O-CB 3.47Å; A411-S415 PolarHBondContact O-N 2.79Å; A411-S415 VanDerWaalsContact O-N 3.17Å
412D94.3Very high92.9Very high79 Ų7957.1 Ų57.142%0.42234%0.344SS..Hα-helixtrans-69-49.1178.2-173.436.4000111.6D409 I414 S415 Q416D409-D412 HydrophobicContact CB-CB 4.27Å; D409-D412 PolarHBondContact O-N 3.39Å; D409-D412 PolarHBondContact OD1-N 3.35Å; D412-I414 PolarHBondContact O-N 2.97Å; D412-S415 WeakPolarHBondContact O-CB 3.4Å; D412-S415 PolarHBondContact O-N 3.31Å; D412-S415 VanDerWaalsContact O-N 3.15Å; D412-Q416 WeakPolarHBondContact O-CG 3.06Å; D412-Q416 PolarHBondContact O-N 2.92Å; D412-Q416 PolarHBondContact OD1-NE2 3.2Å; D412-Q416 PolarHBondContact OD2-NE2 3.1Å
413L93.9Very high92.8Very high9 Ų960 Ų605%0.04736%0.361CS..Hα-helixtrans-60.5-43.9-179.8-72.7175.8000112.7A403 Y408 D409 S415 Q416 L417 L430 G435 I437A403-L413 HydrophobicContact CB-CD1 4.23Å; Y408-L413 HydrophobicContact CG-CD1 4.33Å; D409-L413 WeakPolarHBondContact O-CG 3.49Å; D409-L413 PolarHBondContact O-N 3.49Å; D409-L413 VanDerWaalsContact O-N 3.12Å; L413-S415 VanDerWaalsContact C-N 3.32Å; L413-S415 PolarHBondContact O-N 2.9Å; L413-Q416 PolarHBondContact O-N 3.15Å; L413-L417 VanDerWaalsContact O-CB 3.24Å; L413-L417 WeakPolarHBondContact O-CB 3.24Å; L413-L417 PolarHBondContact O-N 3.21Å; L413-L430 HydrophobicContact CB-CD2 3.95Å; L413-L430 HydrophobicContact CD1-CD2 4.39Å; L413-G435 WeakPolarHBondContact CD2-O 3.48Å; L413-I437 HydrophobicContact CD2-CG1 4.45Å
414I94Very high92.6Very high23 Ų2362.2 Ų62.212%0.11838%0.384CS..Hα-helixtrans-69.2-33.3178.7-63.4-58.4000111.7M367 P399 S410 D412 L417 R418 L430M367-I414 HydrophobicContact CE-CD1 4.44Å; M367-I414 HydrophobicContact CE-CG2 3.98Å; P399-I414 HydrophobicContact CB-CD1 3.57Å; P399-I414 HydrophobicContact CG-CD1 3.77Å; S410-I414 WeakPolarHBondContact O-CB 3.49Å; S410-I414 WeakPolarHBondContact O-CG1 3.42Å; S410-I414 PolarHBondContact O-N 2.79Å; D412-I414 PolarHBondContact O-N 2.97Å; I414-L417 HydrophobicContact CD1-CD2 4.42Å; I414-R418 VanDerWaalsContact O-CB 3.27Å; I414-R418 WeakPolarHBondContact O-CB 3.3Å; I414-R418 PolarHBondContact O-N 2.83Å; I414-L430 HydrophobicContact CD1-CD1 4.46Å
415S93.6Very high92.4Very high76 Ų7662.3 Ų62.353%0.53138%0.381SS..Hα-helixtrans-63.6-48.6174.7-176.60000111.5A411 D412 L413 R418 A419A411-S415 VanDerWaalsContact O-CB 3.28Å; A411-S415 WeakPolarHBondContact O-CB 3.47Å; A411-S415 PolarHBondContact O-N 2.79Å; A411-S415 VanDerWaalsContact O-N 3.17Å; D412-S415 WeakPolarHBondContact O-CB 3.4Å; D412-S415 PolarHBondContact O-N 3.31Å; D412-S415 VanDerWaalsContact O-N 3.15Å; L413-S415 VanDerWaalsContact C-N 3.32Å; L413-S415 PolarHBondContact O-N 2.9Å; S415-R418 PolarHBondContact O-N 2.88Å; S415-A419 PolarHBondContact O-N 3.31Å; S415-A419 VanDerWaalsContact O-N 3.13Å
416Q93.5Very high92.3Very high84 Ų8458.8 Ų58.839%0.39336%0.359SS..Hα-helixtrans-64.5-41.5177.1-66174.332.700111.4D412 L413 R418 A419 S420 I437D412-Q416 WeakPolarHBondContact O-CG 3.06Å; D412-Q416 PolarHBondContact O-N 2.92Å; D412-Q416 PolarHBondContact OD1-NE2 3.2Å; D412-Q416 PolarHBondContact OD2-NE2 3.1Å; L413-Q416 PolarHBondContact O-N 3.15Å; Q416-R418 VanDerWaalsContact C-N 3.33Å; Q416-R418 PolarHBondContact O-N 2.95Å; Q416-A419 WeakPolarHBondContact O-CB 3.3Å; Q416-A419 PolarHBondContact O-N 3.4Å; Q416-S420 PolarHBondContact O-N 2.88Å; Q416-I437 HydrophobicContact CB-CD1 3.19Å; Q416-I437 HydrophobicContact CG-CD1 4.45Å
417L93.4Very high92.5Very high0 Ų057.7 Ų57.70%035%0.346CS..Hα-helixtrans-64-42-179.5-173.966.4000110.7M367 P399 L413 I414 A419 S420 H421 M428 L430 I437M367-L417 HydrophobicContact CB-CD2 4.18Å; M367-L417 HydrophobicContact CB-CG 4.31Å; M367-L417 HydrophobicContact CE-CB 4.33Å; M367-L417 HydrophobicContact CE-CD2 3.8Å; M367-L417 HydrophobicContact CE-CG 4.09Å; M367-L417 HydrophobicContact CG-CD2 4.36Å; M367-L417 HydrophobicContact CG-CG 4.08Å; P399-L417 HydrophobicContact CB-CD2 4.42Å; L413-L417 VanDerWaalsContact O-CB 3.24Å; L413-L417 WeakPolarHBondContact O-CB 3.24Å; L413-L417 PolarHBondContact O-N 3.21Å; I414-L417 HydrophobicContact CD1-CD2 4.42Å; L417-A419 VanDerWaalsContact C-N 3.29Å; L417-A419 PolarHBondContact O-N 2.92Å; L417-S420 PolarHBondContact O-N 2.99Å; L417-H421 PolarHBondContact O-CD2 3.33Å; L417-H421 VanDerWaalsContact O-CD2 3.25Å; L417-H421 PolarHBondContact O-N 3.41Å; L417-M428 HydrophobicContact CD1-CB 4.21Å; L417-M428 WeakPolarHBondContact CD1-O 3.45Å; L417-L430 HydrophobicContact CD2-CD2 4.32Å; L417-L430 HydrophobicContact CD2-CG 4.33Å; L417-I437 HydrophobicContact CB-CD1 3.88Å; L417-I437 HydrophobicContact CB-CG1 4.36Å; L417-I437 HydrophobicContact CD1-CG1 4.39Å; L417-I437 HydrophobicContact CD1-CG2 3.82Å
418R92.5Very high92.6Very high139 Ų13956.1 Ų56.153%0.52532%0.321SS..Hα-helixtrans-59.4-40.2173.1179.1-176.2165.1-159.2-5.7111.8M367 I414 S415 Q416 A422M367-R418 HydrophobicContact SD-CB 4.12Å; I414-R418 VanDerWaalsContact O-CB 3.27Å; I414-R418 WeakPolarHBondContact O-CB 3.3Å; I414-R418 PolarHBondContact O-N 2.83Å; S415-R418 PolarHBondContact O-N 2.88Å; Q416-R418 VanDerWaalsContact C-N 3.33Å; Q416-R418 PolarHBondContact O-N 2.95Å; R418-A422 VanDerWaalsContact O-CB 3.3Å; R418-A422 WeakPolarHBondContact O-CB 3.47Å; R418-A422 PolarHBondContact O-N 3.43Å
419A93.4Very high92.7Very high52 Ų5252.6 Ų52.643%0.4331%0.307SS..Hα-helixtrans-65.4-43.9178.400000112S415 Q416 L417 A422 N423S415-A419 PolarHBondContact O-N 3.31Å; S415-A419 VanDerWaalsContact O-N 3.13Å; Q416-A419 WeakPolarHBondContact O-CB 3.3Å; Q416-A419 PolarHBondContact O-N 3.4Å; L417-A419 VanDerWaalsContact C-N 3.29Å; L417-A419 PolarHBondContact O-N 2.92Å; A419-A422 PolarHBondContact O-N 3.03Å; A419-N423 PolarHBondContact O-N 3.07Å; A419-N423 PolarHBondContact O-ND2 3.2Å
420S93.3Very high92.7Very high21 Ų2147.9 Ų47.915%0.14728%0.281CS..Hα-helixtrans-60-48.4174.6-85.30000112.7Q416 L417 A422 N423 G424 E425Q416-S420 PolarHBondContact O-N 2.88Å; L417-S420 PolarHBondContact O-N 2.99Å; S420-A422 VanDerWaalsContact C-N 3.33Å; S420-A422 PolarHBondContact O-N 3.14Å; S420-N423 WeakPolarHBondContact O-CB 3.45Å; S420-N423 PolarHBondContact O-N 2.86Å; S420-G424 PolarHBondContact O-N 3.26Å; S420-E425 WeakPolarHBondContact CB-OE2 3.34Å; S420-E425 WeakPolarHBondContact O-CB 3.3Å; S420-E425 PolarHBondContact O-N 3.38Å; S420-E425 PolarHBondContact OG-OE2 3.06Å
421H93.2Very high92.7Very high2 Ų247.5 Ų47.51%0.00928%0.278CS..Hα-helixtrans-65.5-35.5179.1-83.2-95.4000112.7A364 M367 W368 L417 N423 G424 K426 M428A364-H421 PolarHBondContact O-CE1 2.99Å; M367-H421 HydrophobicContact CG-CB 3.75Å; M367-H421 VanDerWaalsContact CG-CD2 3.5Å; M367-H421 WeakPolarHBondContact CG-CD2 3.38Å; M367-H421 VanDerWaalsContact CG-CG 3.47Å; W368-H421 AromaticContact CE3-ND1 3.75Å; W368-H421 PolarHBondContact N-ND1 2.95Å; L417-H421 PolarHBondContact O-CD2 3.33Å; L417-H421 VanDerWaalsContact O-CD2 3.25Å; L417-H421 PolarHBondContact O-N 3.41Å; H421-N423 PolarHBondContact O-N 3.46Å; H421-G424 PolarHBondContact O-N 3.37Å; H421-K426 PolarHBondContact CE1-O 3.37Å; H421-M428 PolarHBondContact NE2-O 3.39Å
422A91Very high92.5Very high52 Ų5246.8 Ų46.843%0.4326%0.264SS..Hα-helixtrans-63.9-27.9173.300000112.9R418 A419 S420 G424R418-A422 VanDerWaalsContact O-CB 3.3Å; R418-A422 WeakPolarHBondContact O-CB 3.47Å; R418-A422 PolarHBondContact O-N 3.43Å; A419-A422 PolarHBondContact O-N 3.03Å; S420-A422 VanDerWaalsContact C-N 3.33Å; S420-A422 PolarHBondContact O-N 3.14Å; A422-G424 PolarHBondContact O-N 3.04Å
423N91.5Very high92.2Very high131 Ų13149.7 Ų49.770%0.70128%0.279SS*.THydrogen-bonded Turntrans-79.9-1.5173.1-67.2-27.2000113.5A419 S420 H421A419-N423 PolarHBondContact O-N 3.07Å; A419-N423 PolarHBondContact O-ND2 3.2Å; S420-N423 WeakPolarHBondContact O-CB 3.45Å; S420-N423 PolarHBondContact O-N 2.86Å; H421-N423 PolarHBondContact O-N 3.46Å
424G89.5Confident92Very high46 Ų4654.9 Ų54.947%0.47431%0.307SS..THydrogen-bonded Turntrans94.27.417900000115S420 H421 A422 K426S420-G424 PolarHBondContact O-N 3.26Å; H421-G424 PolarHBondContact O-N 3.37Å; A422-G424 PolarHBondContact O-N 3.04Å; G424-K426 PolarHBondContact O-N 2.96Å
425E89.9Confident91.8Very high85 Ų8554.6 Ų54.640%0.39731%0.31SS..  trans-80.779.2179.9-58.4177.2167.900111.4S420 S427 M428S420-E425 WeakPolarHBondContact CB-OE2 3.34Å; S420-E425 WeakPolarHBondContact O-CB 3.3Å; S420-E425 PolarHBondContact O-N 3.38Å; S420-E425 PolarHBondContact OG-OE2 3.06Å; E425-S427 PolarHBondContact O-N 3.13Å; E425-M428 HydrophobicContact CB-CB 4.47Å; E425-M428 HydrophobicContact CB-CG 3.6Å; E425-M428 PolarHBondContact O-N 2.86Å; E425-M428 WeakPolarHBondContact OE2-CG 3.19Å
426K89.8Confident91.7Very high62 Ų6254.3 Ų54.327%0.2731%0.305SS..THydrogen-bonded Turntrans-64.7-20.5-174.765.2171.6-178.3164.20115.6A95 M365 W368 H421 G424A95-K426 HydrophobicContact CB-CD 4.27Å; A95-K426 PolarHBondContact O-NZ 3.29Å; M365-K426 WeakPolarHBondContact CE-O 3.47Å; W368-K426 HydrophobicContact CD2-CB 3.86Å; W368-K426 HydrophobicContact CE3-CB 3.83Å; W368-K426 HydrophobicContact CG-CB 4.37Å; W368-K426 HydrophobicContact CH2-CB 4.44Å; W368-K426 HydrophobicContact CZ2-CB 4.46Å; W368-K426 HydrophobicContact CZ3-CB 4.13Å; H421-K426 PolarHBondContact CE1-O 3.37Å; G424-K426 PolarHBondContact O-N 2.96Å
427S91.8Very high91.7Very high17 Ų1751.7 Ų51.712%0.11929%0.293CS..THydrogen-bonded Turntrans-90.4-10-175.452.40000114E425 D439 M440 N441E425-S427 PolarHBondContact O-N 3.13Å; S427-D439 VanDerWaalsContact CB-OD1 3.26Å; S427-D439 WeakPolarHBondContact CB-OD1 3.49Å; S427-D439 WeakPolarHBondContact CB-OD2 3.37Å; S427-D439 VanDerWaalsContact OG-CG 3.25Å; S427-D439 PolarHBondContact OG-OD1 3.39Å; S427-D439 PolarHBondContact OG-OD2 3.27Å; S427-M440 WeakPolarHBondContact O-CB 3.34Å; S427-M440 VanDerWaalsContact O-CG 3.3Å; S427-M440 WeakPolarHBondContact O-CG 3.43Å; S427-M440 PolarHBondContact O-N 3.29Å; S427-N441 WeakPolarHBondContact CB-ND2 3.19Å
428M94.2Very high91.8Very high35 Ų3552.8 Ų52.817%0.17230%0.302CS..EExtended strand (participates in β ladder)trans-70.8133-176.5-65.9-63.1-87.300110.7A364 L417 H421 E425 I437 A438 D439A364-M428 WeakPolarHBondContact CA-O 3.47Å; A364-M428 WeakPolarHBondContact CB-O 3.47Å; L417-M428 HydrophobicContact CD1-CB 4.21Å; L417-M428 WeakPolarHBondContact CD1-O 3.45Å; H421-M428 PolarHBondContact NE2-O 3.39Å; E425-M428 HydrophobicContact CB-CB 4.47Å; E425-M428 HydrophobicContact CB-CG 3.6Å; E425-M428 PolarHBondContact O-N 2.86Å; E425-M428 WeakPolarHBondContact OE2-CG 3.19Å; M428-I437 HydrophobicContact CB-CG2 3.93Å; M428-I437 HydrophobicContact CE-CB 4.49Å; M428-I437 HydrophobicContact CE-CG2 3.57Å; M428-I437 HydrophobicContact SD-CG2 4.45Å; M428-A438 WeakPolarHBondContact CA-O 3.24Å; M428-D439 HydrophobicContact SD-CB 4.22Å
429G94.3Very high91.8Very high0 Ų048 Ų480%029%0.287CS..EExtended strand (participates in β ladder)trans-147.3-169.6179.700000111.9I437 A438 M440G429-I437 VanDerWaalsContact O-CA 3.31Å; G429-I437 WeakPolarHBondContact O-CA 3.45Å; G429-I437 WeakPolarHBondContact O-CG2 3.49Å; G429-A438 PolarHBondContact N-O 3.05Å; G429-A438 PolarHBondContact O-N 3.19Å; G429-A438 VanDerWaalsContact O-N 3.15Å; G429-M440 VanDerWaalsContact C-CE 3.45Å
430L93.7Very high91.8Very high4 Ų445.5 Ų45.52%0.02127%0.266CS..EExtended strand (participates in β ladder)trans-91.5117.1-178.2-61.8174.7000111.5G362 P399 I402 A403 L413 I414 L417 M432G362-L430 PolarHBondContact O-N 3Å; P399-L430 HydrophobicContact CB-CD1 3.75Å; P399-L430 VanDerWaalsContact O-CD1 3.29Å; P399-L430 WeakPolarHBondContact O-CD1 3.49Å; I402-L430 HydrophobicContact CG2-CD1 4.49Å; A403-L430 HydrophobicContact CB-CD1 4.24Å; L413-L430 HydrophobicContact CB-CD2 3.95Å; L413-L430 HydrophobicContact CD1-CD2 4.39Å; I414-L430 HydrophobicContact CD1-CD1 4.46Å; L417-L430 HydrophobicContact CD2-CD2 4.32Å; L417-L430 HydrophobicContact CD2-CG 4.33Å; L430-M432 HydrophobicContact CB-SD 4.02Å; L430-M432 PolarHBondContact O-N 3.34Å
431D93.6Very high91.6Very high10 Ų1047.8 Ų47.85%0.05328%0.277CS..EExtended strand (participates in β ladder)trans-84.699.7164.5-179.95.8000109.9N433 N434 G435 V436 A438 L443D431-N433 PolarHBondContact O-N 3.32Å; D431-N433 WeakPolarHBondContact OD1-CB 3.09Å; D431-N433 PolarHBondContact OD1-N 3.15Å; D431-N433 PolarHBondContact OD1-ND2 2.91Å; D431-N434 PolarHBondContact O-N 2.86Å; D431-N434 PolarHBondContact OD2-ND2 3.34Å; D431-G435 WeakPolarHBondContact O-CA 3.35Å; D431-G435 PolarHBondContact O-N 2.99Å; D431-V436 HydrophobicContact CB-CG2 4.28Å; D431-V436 WeakPolarHBondContact CB-O 3.46Å; D431-V436 PolarHBondContact N-O 3.05Å; D431-V436 PolarHBondContact O-N 3.15Å; D431-A438 HydrophobicContact CB-CB 4.07Å; D431-L443 HydrophobicContact CB-CD1 3.88Å
432M88.9Confident91.5Very high56 Ų5655.8 Ų55.828%0.27631%0.314SS..THydrogen-bonded Turntrans-74.1-8-177.6-62.8-56.7-63.700114.2I402 G406 Y408 L430I402-M432 HydrophobicContact CG2-CE 4.13Å; I402-M432 HydrophobicContact CG2-CG 3.99Å; I402-M432 HydrophobicContact CG2-SD 3.8Å; I402-M432 WeakPolarHBondContact O-CE 3.03Å; G406-M432 VanDerWaalsContact CA-CE 3.49Å; Y408-M432 HydrophobicContact CD2-CE 3.71Å; Y408-M432 HydrophobicContact CD2-SD 4.36Å; Y408-M432 HydrophobicContact CE2-CE 3.85Å; Y408-M432 WeakPolarHBondContact CE2-O 3.41Å; Y408-M432 HydrophobicContact CE2-SD 4.5Å; Y408-M432 PolarHBondContact OH-O 3.14Å; L430-M432 HydrophobicContact CB-SD 4.02Å; L430-M432 PolarHBondContact O-N 3.34Å
433N87.5Confident91.5Very high139 Ų13957.1 Ų57.174%0.74331%0.314SS*.THydrogen-bonded Turntrans-83.1-38.9175.2-60.3-57.2000111.9Y408 D431Y408-N433 PolarHBondContact OH-O 2.72Å; D431-N433 PolarHBondContact O-N 3.32Å; D431-N433 WeakPolarHBondContact OD1-CB 3.09Å; D431-N433 PolarHBondContact OD1-N 3.15Å; D431-N433 PolarHBondContact OD1-ND2 2.91Å
434N88.7Confident91.4Very high118 Ų11851.9 Ų51.963%0.63129%0.291SS*.THydrogen-bonded Turntrans-103.5-14.1-176.7-66.2-51.5000113D431 V436D431-N434 PolarHBondContact O-N 2.86Å; D431-N434 PolarHBondContact OD2-ND2 3.34Å; N434-V436 HydrophobicContact CB-CG2 3.89Å
435G89.7Confident91.6Very high18 Ų1851.7 Ų51.719%0.18628%0.278CS..THydrogen-bonded Turntrans68.938.6-176.900000112.4L413 D431L413-G435 WeakPolarHBondContact CD2-O 3.48Å; D431-G435 WeakPolarHBondContact O-CA 3.35Å; D431-G435 PolarHBondContact O-N 2.99Å
436V93.3Very high91.7Very high70 Ų7048.6 Ų48.642%0.42426%0.264SS..EExtended strand (participates in β ladder)trans-133169.9-179.6-59.80000110.3D431 N434D431-V436 HydrophobicContact CB-CG2 4.28Å; D431-V436 WeakPolarHBondContact CB-O 3.46Å; D431-V436 PolarHBondContact N-O 3.05Å; D431-V436 PolarHBondContact O-N 3.15Å; N434-V436 HydrophobicContact CB-CG2 3.89Å
437I93.4Very high91.9Very high29 Ų2947.2 Ų47.215%0.14926%0.259CS..EExtended strand (participates in β ladder)trans-89.8135.5170.7-60.2160.5000108.6L413 Q416 L417 M428 G429L413-I437 HydrophobicContact CD2-CG1 4.45Å; Q416-I437 HydrophobicContact CB-CD1 3.19Å; Q416-I437 HydrophobicContact CG-CD1 4.45Å; L417-I437 HydrophobicContact CB-CD1 3.88Å; L417-I437 HydrophobicContact CB-CG1 4.36Å; L417-I437 HydrophobicContact CD1-CG1 4.39Å; L417-I437 HydrophobicContact CD1-CG2 3.82Å; M428-I437 HydrophobicContact CB-CG2 3.93Å; M428-I437 HydrophobicContact CE-CB 4.49Å; M428-I437 HydrophobicContact CE-CG2 3.57Å; M428-I437 HydrophobicContact SD-CG2 4.45Å; G429-I437 VanDerWaalsContact O-CA 3.31Å; G429-I437 WeakPolarHBondContact O-CA 3.45Å; G429-I437 WeakPolarHBondContact O-CG2 3.49Å
438A94.1Very high91.9Very high22 Ų2246.5 Ų46.518%0.18225%0.254CS..EExtended strand (participates in β ladder)trans-141.9166.1179.100000110.7M428 G429 D431 M440 L443M428-A438 WeakPolarHBondContact CA-O 3.24Å; G429-A438 PolarHBondContact N-O 3.05Å; G429-A438 PolarHBondContact O-N 3.19Å; G429-A438 VanDerWaalsContact O-N 3.15Å; D431-A438 HydrophobicContact CB-CB 4.07Å; A438-M440 HydrophobicContact CB-CE 4.3Å; A438-M440 WeakPolarHBondContact O-CE 3.39Å; A438-M440 PolarHBondContact O-N 3.12Å; A438-L443 HydrophobicContact CB-CD1 3.71Å; A438-L443 HydrophobicContact CB-CG 4.37Å
439D93.9Very high91.9Very high38 Ų3845 Ų4520%0.20325%0.246CC..EExtended strand (participates in β ladder)trans-74.7119.9172.1-168.2-42.9000109.8S427 M428 N441 E442 L443S427-D439 VanDerWaalsContact CB-OD1 3.26Å; S427-D439 WeakPolarHBondContact CB-OD1 3.49Å; S427-D439 WeakPolarHBondContact CB-OD2 3.37Å; S427-D439 VanDerWaalsContact OG-CG 3.25Å; S427-D439 PolarHBondContact OG-OD1 3.39Å; S427-D439 PolarHBondContact OG-OD2 3.27Å; M428-D439 HydrophobicContact SD-CB 4.22Å; D439-N441 VanDerWaalsContact C-N 3.29Å; D439-N441 PolarHBondContact O-N 2.93Å; D439-N441 WeakPolarHBondContact OD1-CA 3.32Å; D439-N441 VanDerWaalsContact OD1-CB 3.28Å; D439-N441 WeakPolarHBondContact OD1-CB 3.44Å; D439-N441 PolarHBondContact OD1-N 3.41Å; D439-E442 HydrophobicContact CB-CB 4.23Å; D439-E442 HydrophobicContact CB-CG 3.96Å; D439-E442 PolarHBondContact O-N 3.43Å; D439-L443 PolarHBondContact O-N 3.36Å; D439-L443 VanDerWaalsContact O-N 3.15Å
440M92.6Very high91.9Very high0 Ų046.3 Ų46.30%025%0.253CS..THydrogen-bonded Turntrans-69.5-24.5-178.3-64-63.296.800113.1C360 A364 S427 G429 A438 L443 G444 I445C360-M440 HydrophobicContact CB-CB 3.8Å; C360-M440 HydrophobicContact CB-CG 4.45Å; A364-M440 HydrophobicContact CB-CG 4.06Å; S427-M440 WeakPolarHBondContact O-CB 3.34Å; S427-M440 VanDerWaalsContact O-CG 3.3Å; S427-M440 WeakPolarHBondContact O-CG 3.43Å; S427-M440 PolarHBondContact O-N 3.29Å; G429-M440 VanDerWaalsContact C-CE 3.45Å; A438-M440 HydrophobicContact CB-CE 4.3Å; A438-M440 WeakPolarHBondContact O-CE 3.39Å; A438-M440 PolarHBondContact O-N 3.12Å; M440-L443 HydrophobicContact CE-CD1 3.77Å; M440-G444 PolarHBondContact O-N 3.42Å; M440-G444 VanDerWaalsContact O-N 3.08Å; M440-I445 HydrophobicContact CB-CB 4.34Å; M440-I445 HydrophobicContact CE-CD1 4.38Å; M440-I445 PolarHBondContact O-N 3.11Å; M440-I445 HydrophobicContact SD-CB 4.06Å; M440-I445 HydrophobicContact SD-CD1 3.79Å; M440-I445 HydrophobicContact SD-CG1 4.46Å; M440-I445 HydrophobicContact SD-CG2 4.24Å
441N89.4Confident91.9Very high70 Ų7046.4 Ų46.437%0.37425%0.254SS..THydrogen-bonded Turntrans-70.4-39.7173.4-67.7-45000111C360 S427 D439 L443 G444C360-N441 PolarHBondContact SG-OD1 3.39Å; S427-N441 WeakPolarHBondContact CB-ND2 3.19Å; D439-N441 VanDerWaalsContact C-N 3.29Å; D439-N441 PolarHBondContact O-N 2.93Å; D439-N441 WeakPolarHBondContact OD1-CA 3.32Å; D439-N441 VanDerWaalsContact OD1-CB 3.28Å; D439-N441 WeakPolarHBondContact OD1-CB 3.44Å; D439-N441 PolarHBondContact OD1-N 3.41Å; N441-L443 VanDerWaalsContact C-N 3.35Å; N441-G444 PolarHBondContact O-N 3.09Å
442E90.4Very high91.9Very high170 Ų17046.3 Ų46.379%0.79425%0.253SS*.THydrogen-bonded Turntrans-67.4-37.4176.9-65.5-172.8167.800111.7D439 G444D439-E442 HydrophobicContact CB-CB 4.23Å; D439-E442 HydrophobicContact CB-CG 3.96Å; D439-E442 PolarHBondContact O-N 3.43Å; E442-G444 VanDerWaalsContact C-N 3.26Å; E442-G444 PolarHBondContact O-N 2.84Å
443L91.3Very high92.2Very high80 Ų8046.2 Ų46.242%0.41925%0.252SS..THydrogen-bonded Turntrans-77.1-8.6174.5-67.4-179.2000114D431 A438 D439 M440 N441 I445D431-L443 HydrophobicContact CB-CD1 3.88Å; A438-L443 HydrophobicContact CB-CD1 3.71Å; A438-L443 HydrophobicContact CB-CG 4.37Å; D439-L443 PolarHBondContact O-N 3.36Å; D439-L443 VanDerWaalsContact O-N 3.15Å; M440-L443 HydrophobicContact CE-CD1 3.77Å; N441-L443 VanDerWaalsContact C-N 3.35Å; L443-I445 VanDerWaalsContact C-N 3.31Å; L443-I445 HydrophobicContact CB-CD1 4.07Å; L443-I445 HydrophobicContact CB-CG1 4.05Å; L443-I445 HydrophobicContact CD1-CD1 4.25Å; L443-I445 PolarHBondContact O-N 3.12Å
444G89.7Confident92.5Very high21 Ų2142.3 Ų42.322%0.21623%0.229CC..THydrogen-bonded Turntrans68.526-177.600000114.1S113 M440 N441 E442 I446S113-G444 WeakPolarHBondContact CB-O 3.48Å; M440-G444 PolarHBondContact O-N 3.42Å; M440-G444 VanDerWaalsContact O-N 3.08Å; N441-G444 PolarHBondContact O-N 3.09Å; E442-G444 VanDerWaalsContact C-N 3.26Å; E442-G444 PolarHBondContact O-N 2.84Å; G444-I446 PolarHBondContact O-N 3.12Å
445I92.7Very high92.8Very high41 Ų4136.8 Ų36.821%0.2120%0.199CC..  trans-89.289.5177.5-58.6175.4000108.1T117 G361 M440 L443T117-I445 HydrophobicContact CG2-CG2 3.83Å; G361-I445 PolarHBondContact N-O 2.98Å; M440-I445 HydrophobicContact CB-CB 4.34Å; M440-I445 HydrophobicContact CE-CD1 4.38Å; M440-I445 PolarHBondContact O-N 3.11Å; M440-I445 HydrophobicContact SD-CB 4.06Å; M440-I445 HydrophobicContact SD-CD1 3.79Å; M440-I445 HydrophobicContact SD-CG1 4.46Å; M440-I445 HydrophobicContact SD-CG2 4.24Å; L443-I445 VanDerWaalsContact C-N 3.31Å; L443-I445 HydrophobicContact CB-CD1 4.07Å; L443-I445 HydrophobicContact CB-CG1 4.05Å; L443-I445 HydrophobicContact CD1-CD1 4.25Å; L443-I445 PolarHBondContact O-N 3.12Å
446I92.8Very high93.1Very high20 Ų2035.9 Ų35.910%0.10319%0.19CC..EExtended strand (participates in β ladder)trans-119.1138.7-175.2-57.8175.6000108.5I114 T117 T358 G444I114-I446 WeakPolarHBondContact CA-O 3.34Å; I114-I446 HydrophobicContact CD1-CG2 4.48Å; I114-I446 HydrophobicContact CG1-CB 4.32Å; I114-I446 HydrophobicContact CG1-CG2 3.98Å; T117-I446 PolarHBondContact OG1-N 3.33Å; T117-I446 PolarHBondContact OG1-O 2.98Å; T358-I446 HydrophobicContact CG2-CG2 4.05Å; G444-I446 PolarHBondContact O-N 3.12Å
447E93.5Very high93.2Very high33 Ų3334.2 Ų34.215%0.15418%0.18CC..EExtended strand (participates in β ladder)trans-123.7158.3175.5-68.1175.8148.200110.3T117 T358 V359 G361 K452T117-E447 HydrophobicContact CG2-CG 3.82Å; T358-E447 WeakPolarHBondContact CA-O 3.35Å; V359-E447 HydrophobicContact CG2-CB 4.42Å; V359-E447 PolarHBondContact N-O 2.72Å; V359-E447 PolarHBondContact O-N 2.94Å; G361-E447 VanDerWaalsContact CA-OE2 3.29Å; G361-E447 WeakPolarHBondContact CA-OE2 3.25Å; E447-K452 IonicContact OE1-NZ 3.27Å; E447-K452 WeakPolarHBondContact OE2-CE 3.39Å; E447-K452 IonicContact OE2-NZ 3.79Å; E447-K452 PolarHBondContact OE2-NZ 3.09Å
448A92.8Very high93.4Very high2 Ų233.5 Ų33.52%0.01718%0.178CC..EExtended strand (participates in β ladder)trans-69.5137.3175.100000110.5V348 T352 D450 V451V348-A448 HydrophobicContact CG1-CB 3.77Å; T352-A448 WeakPolarHBondContact OG1-CB 3.28Å; A448-D450 PolarHBondContact O-N 3.28Å; A448-V451 HydrophobicContact CB-CG2 3.96Å; A448-V451 PolarHBondContact O-N 3.46Å
449Y94.2Very high93.5Very high5 Ų532.4 Ų32.42%0.0217%0.169CC..Hα-helixtrans-55-42.4177.7168.4-90.6000112L92 D93 A96 R357 V359 V451 K452 H453L92-Y449 HydrophobicContact CB-CE2 4.47Å; L92-Y449 HydrophobicContact CD2-CD2 4.23Å; L92-Y449 HydrophobicContact CD2-CE2 3.79Å; L92-Y449 HydrophobicContact CG-CD2 4.05Å; L92-Y449 HydrophobicContact CG-CE2 3.68Å; D93-Y449 PolarHBondContact OD1-OH 3.11Å; A96-Y449 HydrophobicContact CB-CD2 3.73Å; A96-Y449 HydrophobicContact CB-CE2 4.19Å; R357-Y449 HydrophobicContact CB-CD1 4.48Å; R357-Y449 HydrophobicContact CB-CG 4.02Å; R357-Y449 VanDerWaalsContact O-CB 3.25Å; R357-Y449 WeakPolarHBondContact O-CB 3.31Å; R357-Y449 PolarHBondContact O-N 2.79Å; V359-Y449 HydrophobicContact CG1-CD2 4.09Å; Y449-V451 VanDerWaalsContact C-N 3.27Å; Y449-V451 PolarHBondContact O-N 3.13Å; Y449-K452 PolarHBondContact O-N 2.98Å; Y449-K452 VanDerWaalsContact O-N 3.17Å; Y449-H453 HydrophobicContact CD1-CB 4.35Å; Y449-H453 HydrophobicContact CE1-CB 3.8Å; Y449-H453 AromaticContact CZ-CD2 3.93Å; Y449-H453 PolarHBondContact O-N 3.29Å; Y449-H453 PolarHBondContact OH-CD2 2.94Å
450D93.1Very high93.6Very high26 Ų2631.1 Ų31.114%0.13916%0.163CC..Hα-helixtrans-62.9-34.2-175.9-65.8-35.8000111.8N355 A448 K452 H453 H454N355-D450 WeakPolarHBondContact CB-OD2 3.22Å; N355-D450 VanDerWaalsContact ND2-CG 3.28Å; N355-D450 PolarHBondContact ND2-OD1 3.4Å; N355-D450 PolarHBondContact ND2-OD2 3.11Å; A448-D450 PolarHBondContact O-N 3.28Å; D450-K452 PolarHBondContact O-N 2.98Å; D450-H453 PolarHBondContact O-N 3.38Å; D450-H454 WeakPolarHBondContact O-CB 3.42Å; D450-H454 PolarHBondContact O-CD2 3.25Å; D450-H454 PolarHBondContact O-N 3.19Å
451V93.8Very high93.7Very high6 Ų636.6 Ų36.64%0.03619%0.189CC..Hα-helixtrans-58-48.6175.7177.80000110.8V46 V348 A448 Y449 L455V46-V451 HydrophobicContact CG1-CB 4.09Å; V46-V451 HydrophobicContact CG1-CG1 4.49Å; V46-V451 HydrophobicContact CG1-CG2 3.42Å; V46-V451 VanDerWaalsContact CG1-CG2 3.42Å; V348-V451 HydrophobicContact CG1-CG2 4.29Å; V348-V451 HydrophobicContact CG2-CG2 4.18Å; A448-V451 HydrophobicContact CB-CG2 3.96Å; A448-V451 PolarHBondContact O-N 3.46Å; Y449-V451 VanDerWaalsContact C-N 3.27Å; Y449-V451 PolarHBondContact O-N 3.13Å; V451-L455 WeakPolarHBondContact O-CB 3.47Å; V451-L455 PolarHBondContact O-N 3.3Å
452K94.4Very high94Very high8 Ų833.3 Ų33.34%0.03517%0.172CC..Hα-helixtrans-71.5-38.6179.6-66.9-55.7-170.1-155.80112.8L92 V359 E366 E447 Y449 D450 L455 V456L92-K452 HydrophobicContact CD1-CB 3.81Å; L92-K452 HydrophobicContact CD1-CG 4.37Å; L92-K452 HydrophobicContact CD2-CB 3.74Å; L92-K452 HydrophobicContact CG-CB 4.43Å; V359-K452 HydrophobicContact CG2-CG 3.86Å; E366-K452 WeakPolarHBondContact OE1-CE 3.47Å; E366-K452 IonicContact OE1-NZ 3.48Å; E366-K452 PolarHBondContact OE1-NZ 3.37Å; E366-K452 IonicContact OE2-NZ 3.57Å; E447-K452 IonicContact OE1-NZ 3.27Å; E447-K452 WeakPolarHBondContact OE2-CE 3.39Å; E447-K452 IonicContact OE2-NZ 3.79Å; E447-K452 PolarHBondContact OE2-NZ 3.09Å; Y449-K452 PolarHBondContact O-N 2.98Å; Y449-K452 VanDerWaalsContact O-N 3.17Å; D450-K452 PolarHBondContact O-N 2.98Å; K452-L455 PolarHBondContact O-N 3.4Å; K452-V456 WeakPolarHBondContact O-CG2 3.42Å; K452-V456 PolarHBondContact O-N 3.08Å; K452-V456 VanDerWaalsContact O-N 3.12Å
453H94.9Very high94.3Very high55 Ų5525.2 Ų25.226%0.25513%0.134SC..Hα-helixtrans-61.6-48178.6178.3-85.7000111.3L92 Y449 D450 T457L92-H453 HydrophobicContact CD2-CB 4.06Å; Y449-H453 HydrophobicContact CD1-CB 4.35Å; Y449-H453 HydrophobicContact CE1-CB 3.8Å; Y449-H453 AromaticContact CZ-CD2 3.93Å; Y449-H453 PolarHBondContact O-N 3.29Å; Y449-H453 PolarHBondContact OH-CD2 2.94Å; D450-H453 PolarHBondContact O-N 3.38Å; H453-T457 WeakPolarHBondContact O-CB 3.47Å; H453-T457 PolarHBondContact O-N 3.46Å; H453-T457 VanDerWaalsContact O-N 3.16Å; H453-T457 PolarHBondContact O-OG1 3.48Å
454H94.6Very high94.5Very high57 Ų5722.7 Ų22.726%0.26412%0.12SC..Hα-helixtrans-66.3-42.7176.2-80.8-94.8000111.8V46 D450 V456 T457 S458V46-H454 HydrophobicContact CG2-CB 3.82Å; D450-H454 WeakPolarHBondContact O-CB 3.42Å; D450-H454 PolarHBondContact O-CD2 3.25Å; D450-H454 PolarHBondContact O-N 3.19Å; H454-V456 VanDerWaalsContact C-N 3.31Å; H454-V456 PolarHBondContact O-N 2.76Å; H454-T457 PolarHBondContact O-N 3Å; H454-S458 VanDerWaalsContact O-CB 3.32Å; H454-S458 WeakPolarHBondContact O-CB 3.45Å; H454-S458 PolarHBondContact O-N 3.4Å; H454-S458 PolarHBondContact O-OG 2.96Å
455L95.2Very high94.7Very high1 Ų126.5 Ų26.51%0.00513%0.133CC..Hα-helixtrans-51.8-47.5176.4173.4153.2000112.7L56 L398 V451 K452 A459L56-L455 HydrophobicContact CD2-CD2 3.47Å; L56-L455 VanDerWaalsContact CD2-CD2 3.47Å; L56-L455 HydrophobicContact CD2-CG 4.38Å; L398-L455 HydrophobicContact CD1-CD2 4.38Å; V451-L455 WeakPolarHBondContact O-CB 3.47Å; V451-L455 PolarHBondContact O-N 3.3Å; K452-L455 PolarHBondContact O-N 3.4Å; L455-A459 WeakPolarHBondContact O-CB 3.41Å; L455-A459 PolarHBondContact O-N 3.37Å
456V95.8Very high94.9Very high0 Ų025.9 Ų25.90%013%0.13CC..Hα-helixtrans-72.4-39.6-178.5174.10000111.4T85 A88 L89 M369 F391 K452 H454 A460T85-V456 HydrophobicContact CG2-CG1 4.13Å; A88-V456 HydrophobicContact CB-CG1 4.17Å; L89-V456 HydrophobicContact CD2-CB 4.03Å; L89-V456 HydrophobicContact CD2-CG1 4.01Å; L89-V456 HydrophobicContact CG-CG1 4.33Å; M369-V456 HydrophobicContact CE-CG2 3.7Å; M369-V456 HydrophobicContact SD-CG2 3.7Å; F391-V456 HydrophobicContact CZ-CG1 4.19Å; K452-V456 WeakPolarHBondContact O-CG2 3.42Å; K452-V456 PolarHBondContact O-N 3.08Å; K452-V456 VanDerWaalsContact O-N 3.12Å; H454-V456 VanDerWaalsContact C-N 3.31Å; H454-V456 PolarHBondContact O-N 2.76Å; V456-A460 VanDerWaalsContact O-CB 3.25Å; V456-A460 WeakPolarHBondContact O-CB 3.47Å; V456-A460 PolarHBondContact O-N 3.34Å
457T96Very high94.9Very high34 Ų3425.7 Ų25.721%0.20913%0.129CC..Hα-helixtrans-69-55-178.4-55.10000111.1H453 H454 A459 A460 E461H453-T457 WeakPolarHBondContact O-CB 3.47Å; H453-T457 PolarHBondContact O-N 3.46Å; H453-T457 VanDerWaalsContact O-N 3.16Å; H453-T457 PolarHBondContact O-OG1 3.48Å; H454-T457 PolarHBondContact O-N 3Å; T457-A459 PolarHBondContact O-N 2.71Å; T457-A460 PolarHBondContact O-N 2.76Å; T457-E461 WeakPolarHBondContact O-CG 3.49Å; T457-E461 PolarHBondContact O-N 2.79Å
458S95.8Very high94.9Very high14 Ų1430.6 Ų30.610%0.09815%0.146CC..Hα-helixtrans-64.6-40.2-176.9-61.10000112.3M38 H454 E461 A462M38-S458 VanDerWaalsContact SD-O 3.4Å; H454-S458 VanDerWaalsContact O-CB 3.32Å; H454-S458 WeakPolarHBondContact O-CB 3.45Å; H454-S458 PolarHBondContact O-N 3.4Å; H454-S458 PolarHBondContact O-OG 2.96Å; S458-E461 PolarHBondContact O-N 3.34Å; S458-A462 WeakPolarHBondContact O-CB 3.47Å; S458-A462 PolarHBondContact O-N 2.91Å
459A96.3Very high95Very high0 Ų034.2 Ų34.20%017%0.168CC..Hα-helixtrans-64.6-40.6176.200000112.4V53 L56 A57 L60 L455 T457 A463V53-A459 HydrophobicContact CG2-CB 4.16Å; L56-A459 HydrophobicContact CB-CB 3.91Å; L56-A459 HydrophobicContact CD2-CB 3.74Å; L56-A459 HydrophobicContact CG-CB 3.75Å; A57-A459 HydrophobicContact CB-CB 4.1Å; L60-A459 HydrophobicContact CD1-CB 4.45Å; L455-A459 WeakPolarHBondContact O-CB 3.41Å; L455-A459 PolarHBondContact O-N 3.37Å; T457-A459 PolarHBondContact O-N 2.71Å; A459-A463 VanDerWaalsContact O-CB 3.31Å; A459-A463 WeakPolarHBondContact O-CB 3.4Å; A459-A463 PolarHBondContact O-N 3.35Å
460A96Very high95Very high10 Ų1041.6 Ų41.68%0.08321%0.207CC..Hα-helixtrans-66.7-40.6177.600000112.2T85 F391 V456 T457 A463 E464T85-A460 HydrophobicContact CG2-CB 4.14Å; T85-A460 VanDerWaalsContact OG1-CB 3.29Å; T85-A460 WeakPolarHBondContact OG1-CB 3.32Å; F391-A460 HydrophobicContact CE2-CB 4.19Å; V456-A460 VanDerWaalsContact O-CB 3.25Å; V456-A460 WeakPolarHBondContact O-CB 3.47Å; V456-A460 PolarHBondContact O-N 3.34Å; T457-A460 PolarHBondContact O-N 2.76Å; A460-A463 PolarHBondContact O-N 3.45Å; A460-E464 WeakPolarHBondContact O-CB 3.42Å; A460-E464 PolarHBondContact O-N 3.42Å
461E95.6Very high95Very high116 Ų11645.9 Ų45.954%0.54223%0.23SC..Hα-helixtrans-63.6-45.9175.9-73.4-177.116900112.1T457 S458 A463 E464 M465T457-E461 WeakPolarHBondContact O-CG 3.49Å; T457-E461 PolarHBondContact O-N 2.79Å; S458-E461 PolarHBondContact O-N 3.34Å; E461-A463 PolarHBondContact O-N 2.89Å; E461-E464 PolarHBondContact O-N 3.44Å; E461-M465 WeakPolarHBondContact O-CG 3.43Å; E461-M465 PolarHBondContact O-N 2.87Å
462A95.3Very high95Very high1 Ų150.4 Ų50.41%0.00825%0.254CS..Hα-helixtrans-63.1-43.2177.500000112.2I34 L35 M38 A57 S458 M465 I466I34-A462 HydrophobicContact CG2-CB 4.28Å; L35-A462 HydrophobicContact CD2-CB 4.42Å; M38-A462 HydrophobicContact CB-CB 4.44Å; M38-A462 HydrophobicContact CE-CB 4.42Å; M38-A462 HydrophobicContact CG-CB 4.28Å; M38-A462 HydrophobicContact SD-CB 3.33Å; M38-A462 WeakPolarHBondContact SD-CB 3.36Å; A57-A462 HydrophobicContact CB-CB 4.4Å; S458-A462 WeakPolarHBondContact O-CB 3.47Å; S458-A462 PolarHBondContact O-N 2.91Å; A462-M465 HydrophobicContact CB-CE 4.5Å; A462-M465 PolarHBondContact O-N 3.15Å; A462-I466 WeakPolarHBondContact O-CG1 3.39Å; A462-I466 PolarHBondContact O-N 3.04Å; A462-I466 VanDerWaalsContact O-N 3.16Å
463A95.9Very high94.9Very high0 Ų057.5 Ų57.50%029%0.29CS..Hα-helixtrans-64.9-41.6177.200000111.5L60 L61 W81 A459 A460 E461 I466 I467L60-A463 HydrophobicContact CB-CB 3.82Å; L60-A463 HydrophobicContact CD1-CB 4.01Å; L61-A463 HydrophobicContact CD2-CB 4.33Å; L61-A463 HydrophobicContact CG-CB 4.43Å; W81-A463 HydrophobicContact CE3-CB 4.12Å; W81-A463 HydrophobicContact CH2-CB 4.17Å; W81-A463 HydrophobicContact CZ3-CB 3.51Å; A459-A463 VanDerWaalsContact O-CB 3.31Å; A459-A463 WeakPolarHBondContact O-CB 3.4Å; A459-A463 PolarHBondContact O-N 3.35Å; A460-A463 PolarHBondContact O-N 3.45Å; E461-A463 PolarHBondContact O-N 2.89Å; A463-I466 PolarHBondContact O-N 3.16Å; A463-I467 WeakPolarHBondContact O-CB 3.49Å; A463-I467 WeakPolarHBondContact O-CG1 3.38Å; A463-I467 PolarHBondContact O-N 2.91Å
464E95.7Very high94.8Very high27 Ų2763.7 Ų63.713%0.12631%0.311CS..Hα-helixtrans-58.7-48.4173.5172.9177.3164.600111.5V78 R82 A460 E461 I466 I467 R468V78-E464 HydrophobicContact CB-CG 4.5Å; V78-E464 HydrophobicContact CG1-CB 4.46Å; V78-E464 VanDerWaalsContact CG1-CD 3.49Å; V78-E464 HydrophobicContact CG1-CG 3.61Å; V78-E464 HydrophobicContact CG2-CG 4.08Å; R82-E464 IonicContact CZ-OE1 3.93Å; R82-E464 IonicContact CZ-OE2 2.81Å; R82-E464 VanDerWaalsContact CZ-OE2 3.31Å; R82-E464 IonicContact NE-OE1 3.9Å; R82-E464 IonicContact NE-OE2 2.74Å; R82-E464 PolarHBondContact NE-OE2 3.47Å; R82-E464 VanDerWaalsContact NH2-CD 3.26Å; R82-E464 IonicContact NH2-OE1 3.55Å; R82-E464 PolarHBondContact NH2-OE1 3.05Å; R82-E464 IonicContact NH2-OE2 3.91Å; R82-E464 PolarHBondContact NH2-OE2 2.98Å; R82-E464 VanDerWaalsContact NH2-OE2 3.11Å; A460-E464 WeakPolarHBondContact O-CB 3.42Å; A460-E464 PolarHBondContact O-N 3.42Å; E461-E464 PolarHBondContact O-N 3.44Å; E464-I466 VanDerWaalsContact C-N 3.31Å; E464-I466 PolarHBondContact O-N 3.33Å; E464-I467 PolarHBondContact O-N 3.46Å; E464-R468 HydrophobicContact CG-CG 4.32Å; E464-R468 WeakPolarHBondContact O-CD 3.36Å; E464-R468 WeakPolarHBondContact O-CG 3.28Å; E464-R468 PolarHBondContact O-N 3.27Å; E464-R468 WeakPolarHBondContact OE1-CD 3.44Å; E464-R468 IonicContact OE1-CZ 2.82Å; E464-R468 IonicContact OE1-NH1 3.43Å; E464-R468 PolarHBondContact OE1-NH1 3.41Å
465M94.9Very high94.6Very high100 Ų10065.1 Ų65.149%0.49333%0.333SS..Hα-helixtrans-57.8-45.4-178.3-76.6-170.4-70.100111.5I34 E461 A462 V469I34-M465 HydrophobicContact CG2-CE 3.77Å; E461-M465 WeakPolarHBondContact O-CG 3.43Å; E461-M465 PolarHBondContact O-N 2.87Å; A462-M465 HydrophobicContact CB-CE 4.5Å; A462-M465 PolarHBondContact O-N 3.15Å; M465-V469 WeakPolarHBondContact O-CG2 3.19Å
466I95.6Very high94.4Very high29 Ų2969.5 Ų69.515%0.14937%0.369CS..Hα-helixtrans-72.3-42.5-177-67.2164000111.4A31 I34 L35 L61 A462 A463 E464 R468 V469A31-I466 HydrophobicContact CB-CD1 4.23Å; A31-I466 HydrophobicContact CB-CG1 4.21Å; A31-I466 HydrophobicContact CB-CG2 4.14Å; I34-I466 HydrophobicContact CB-CD1 4.25Å; I34-I466 HydrophobicContact CB-CG1 4.43Å; I34-I466 HydrophobicContact CD1-CG1 3.87Å; I34-I466 HydrophobicContact CG2-CD1 4.16Å; I34-I466 HydrophobicContact CG2-CG1 4.32Å; L35-I466 HydrophobicContact CD2-CD1 4.26Å; L35-I466 HydrophobicContact CG-CD1 4.3Å; L61-I466 HydrophobicContact CD1-CB 4.37Å; L61-I466 HydrophobicContact CD1-CD1 3.63Å; L61-I466 HydrophobicContact CD1-CG2 4.15Å; L61-I466 HydrophobicContact CD2-CB 3.78Å; L61-I466 HydrophobicContact CD2-CG2 3.64Å; A462-I466 WeakPolarHBondContact O-CG1 3.39Å; A462-I466 PolarHBondContact O-N 3.04Å; A462-I466 VanDerWaalsContact O-N 3.16Å; A463-I466 PolarHBondContact O-N 3.16Å; E464-I466 VanDerWaalsContact C-N 3.31Å; E464-I466 PolarHBondContact O-N 3.33Å; I466-R468 PolarHBondContact O-N 3.49Å; I466-V469 PolarHBondContact O-N 3.3Å; I466-V469 VanDerWaalsContact O-N 3.16Å
467I94.3Very high94Very high15 Ų1574.9 Ų74.98%0.07740%0.404CS..Hα-helixtrans-63.5-28.8179.3-75.1-149.9000112.8L61 P74 I77 V78 W81 A463 E464 V469L61-I467 HydrophobicContact CD2-CG1 3.83Å; P74-I467 HydrophobicContact CB-CG2 3.73Å; I77-I467 HydrophobicContact CG2-CD1 3.98Å; V78-I467 HydrophobicContact CG2-CB 4.49Å; V78-I467 HydrophobicContact CG2-CG2 3.9Å; W81-I467 HydrophobicContact CE3-CD1 4.26Å; W81-I467 HydrophobicContact CH2-CD1 3.09Å; W81-I467 HydrophobicContact CH2-CG1 3.95Å; W81-I467 HydrophobicContact CZ2-CD1 3.93Å; W81-I467 HydrophobicContact CZ3-CB 4.49Å; W81-I467 HydrophobicContact CZ3-CD1 3.26Å; W81-I467 HydrophobicContact CZ3-CG1 3.77Å; A463-I467 WeakPolarHBondContact O-CB 3.49Å; A463-I467 WeakPolarHBondContact O-CG1 3.38Å; A463-I467 PolarHBondContact O-N 2.91Å; E464-I467 PolarHBondContact O-N 3.46Å; I467-V469 VanDerWaalsContact C-N 3.27Å; I467-V469 PolarHBondContact O-N 3.03Å
468R93.8Very high93.7Very high137 Ų13784.7 Ų84.752%0.51744%0.437SS..THydrogen-bonded Turntrans-75.9-14.1179.5-71.5172.564.1-172.8-8.1113.7V78 E464 I466V78-R468 HydrophobicContact CG2-CG 3.9Å; E464-R468 HydrophobicContact CG-CG 4.32Å; E464-R468 WeakPolarHBondContact O-CD 3.36Å; E464-R468 WeakPolarHBondContact O-CG 3.28Å; E464-R468 PolarHBondContact O-N 3.27Å; E464-R468 WeakPolarHBondContact OE1-CD 3.44Å; E464-R468 IonicContact OE1-CZ 2.82Å; E464-R468 IonicContact OE1-NH1 3.43Å; E464-R468 PolarHBondContact OE1-NH1 3.41Å; I466-R468 PolarHBondContact O-N 3.49Å
469V94.2Very high93.1Very high77 Ų7795.4 Ų95.447%0.46748%0.475SS..  trans-78121.5179.8178.90000109.7M465 I466 I467 D471 I472M465-V469 WeakPolarHBondContact O-CG2 3.19Å; I466-V469 PolarHBondContact O-N 3.3Å; I466-V469 VanDerWaalsContact O-N 3.16Å; I467-V469 VanDerWaalsContact C-N 3.27Å; I467-V469 PolarHBondContact O-N 3.03Å; V469-D471 WeakPolarHBondContact CG1-O 3.3Å; V469-I472 HydrophobicContact CG1-CG1 3.93Å
470D93.7Very high92.2Very high160 Ų160107.1 Ų107.186%0.85652%0.52SS*.  trans-100.5-3117661.5-27.5000112.9
471D93.1Very high91.3Very high116 Ų116110.8 Ų110.862%0.6255%0.55SS*.  trans-137.1147.1179.5-156.2-5.5000112.9V469V469-D471 WeakPolarHBondContact CG1-O 3.3Å
472I93.2Very high90.1Very high102 Ų102110.9 Ų110.952%0.52356%0.561SS.*  trans-124.5105.3179.9-58.6175.6000109.2P30 V469P30-I472 HydrophobicContact CG-CD1 4.22Å; P30-I472 HydrophobicContact CG-CG2 3.78Å; V469-I472 HydrophobicContact CG1-CG1 3.93Å
473I93.2Very high88.7Confident156 Ų156121.4 Ų121.480%0.860%0.6SS**  trans-94.7114.6179.2-56.3173.2000109.9
474R91.9Very high87Confident186 Ų186133.4 Ų133.470%0.70265%0.646SS**PPolyproline II helixtrans-98.9116.6174.8-169.3177.2-173.6171.37.3110.9D28D28-R474 IonicContact OD2-NH2 3.48Å; D28-R474 PolarHBondContact OD2-NH2 2.73Å
475A92.3Very high85.4Confident86 Ų86143.9 Ų143.971%0.71169%0.694SS**PPolyproline II helixtrans-70150.7170.500000111.6
476A89.6Confident84.9Confident93 Ų93146.1 Ų146.177%0.76970%0.704SS**PPolyproline II helixtrans-61.7133174.400000110.4
477P87.8Confident84.3Confident113 Ų113152.2 Ų152.273%0.73473%0.733SS**PPolyproline II helixtrans-62.6145.5-179.525.9-33.8000111R479P477-R479 PolarHBondContact O-N 3.1Å
478R90.6Very high83.8Confident240 Ų240159.8 Ų159.891%0.90677%0.77SS**PPolyproline II helixtrans-55123.2178.9-172.9177.1-176.7174.51.8109.7R480R478-R480 PolarHBondContact O-N 2.68Å; R478-R480 VanDerWaalsContact O-N 3.09Å
479R81.7Confident83.2Confident239 Ų239161.2 Ų161.290%0.90278%0.784SS**PPolyproline II helixtrans-58.6116.6173.5-69.8-175.7-179.9-179.30.3108.7P477 A481P477-R479 PolarHBondContact O-N 3.1Å; R479-A481 PolarHBondContact O-N 3.45Å
480R78.7Confident82.5Confident246 Ų246166.4 Ų166.493%0.92880%0.804SS**PPolyproline II helixtrans-70.8120169.4-68-177.8177.8-178.2-0.9107.1R478R478-R480 PolarHBondContact O-N 2.68Å; R478-R480 VanDerWaalsContact O-N 3.09Å
481A76.9Confident81.7Confident87 Ų87166.9 Ų166.972%0.71980%0.801SS**PPolyproline II helixtrans-60.3142168.500000108.3R479 R483R479-A481 PolarHBondContact O-N 3.45Å; A481-R483 PolarHBondContact O-N 3.32Å
482P69Low80.9Confident119 Ų119170.5 Ų170.577%0.77381%0.814SS**PPolyproline II helixtrans-54.2134.6171.822.4-30.6000108.3R484P482-R484 PolarHBondContact O-N 3.2Å
483R66.5Low80Confident222 Ų222175.8 Ų175.884%0.83884%0.836SS**PPolyproline II helixtrans-51.8119.3170.9-84-177.9163.3176.3-5.2106.4A481 H485A481-R483 PolarHBondContact O-N 3.32Å; R483-H485 PolarHBondContact O-N 2.91Å
484R60.8Low78.9Confident252 Ų252177.4 Ų177.495%0.95184%0.839SS**  trans-62.7107.9167.9-73.7-174.4175.2-172.5-1.6105.5P482P482-R484 PolarHBondContact O-N 3.2Å
485H60.9Low77.7Confident246 Ų246176.6 Ų176.6100%1.13985%0.852SS**  trans-74.90168.3-81.4-74.8000110.1R483R483-H485 PolarHBondContact O-N 2.91Å

Retrieved 485 of 485 residues in 115.1 ms (Link to these results)

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