A0A077ZBG2_TRITR Loading...

E3 SUMO protein ligase CBX4

AlphaFold DB , UniProt , Accession A0A077ZBG2, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 162 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
1M44.6Very low66.5Low244 Ų244135.3 Ų135.3100%1.20267%0.665SS**  0113.30-71.917217600105.8R3M1-R3 PolarHBondContact O-N 3.49Å
2E53.8Low68.6Low197 Ų197126.7 Ų126.792%0.92163%0.631SS**  trans-62.4117.3-180-67.8168.7171.600107.5D4E2-D4 PolarHBondContact O-N 3.36Å; E2-D4 VanDerWaalsContact O-N 3.12Å
3R52.1Low70.5Confident216 Ų216125.9 Ų125.982%0.81563%0.625SS**  trans-64.3113.8177.4-167.4-176.7-73.9169.1-5.7106M1 S5M1-R3 PolarHBondContact O-N 3.49Å; R3-S5 PolarHBondContact O-N 3.46Å
4D51.9Low72.1Confident91 Ų91119.4 Ų119.449%0.48760%0.597SS.*  trans-58.6108.5-171.3-155.1-22.8000108.2E2 R6 E7E2-D4 PolarHBondContact O-N 3.36Å; E2-D4 VanDerWaalsContact O-N 3.12Å; D4-R6 PolarHBondContact O-N 3.29Å; D4-R6 WeakPolarHBondContact OD1-CG 3.27Å; D4-E7 WeakPolarHBondContact O-CG 2.98Å; D4-E7 PolarHBondContact O-N 3.42Å
5S58.5Low73.5Confident97 Ų97112.4 Ų112.468%0.67856%0.562SS**G310 helixtrans-60.9-6.5-176.356.80000113.2R3 E7R3-S5 PolarHBondContact O-N 3.46Å; S5-E7 VanDerWaalsContact C-N 3.31Å
6R58.5Low74.5Confident196 Ų196109.8 Ų109.874%0.7455%0.546SS*.G310 helixtrans-75.8-16.1174.4-59.2-179.2-176.7-141.70.4113.2D4 N8 V9D4-R6 PolarHBondContact O-N 3.29Å; D4-R6 WeakPolarHBondContact OD1-CG 3.27Å; R6-N8 PolarHBondContact O-N 3Å; R6-N8 VanDerWaalsContact O-N 3.16Å; R6-V9 PolarHBondContact O-N 3.06Å
7E68.2Low75.3Confident124 Ų124110.9 Ų110.958%0.57955%0.547SS*.G310 helixtrans-65.5-13.5176.9-69.8175.5-172.900113.3D4 S5 Y10D4-E7 WeakPolarHBondContact O-CG 2.98Å; D4-E7 PolarHBondContact O-N 3.42Å; S5-E7 VanDerWaalsContact C-N 3.31Å; E7-Y10 PolarHBondContact O-OH 2.97Å
8N79.2Confident76Confident85 Ų85111.9 Ų111.946%0.45554%0.543SS..G310 helixtrans-101.95.4-179.3-65.9102.8000114.5R6 Y10R6-N8 PolarHBondContact O-N 3Å; R6-N8 VanDerWaalsContact O-N 3.16Å; N8-Y10 WeakPolarHBondContact O-CD2 3.43Å; N8-Y10 WeakPolarHBondContact O-CE2 3.49Å
9V86Confident76.4Confident92 Ų92110.7 Ų110.756%0.55853%0.533SS*.  trans-100.7120.1177.6-178.10000109.1R6 L48R6-V9 PolarHBondContact O-N 3.06Å; V9-L48 HydrophobicContact CG1-CD1 4.29Å; V9-L48 HydrophobicContact CG2-CD1 4.16Å
10Y87.6Confident76.8Confident76 Ų76110 Ų11030%0.29854%0.535SS..  trans-118.5148-178.5-55.9-83.2000110.7E7 N8 P105 P106 L108E7-Y10 PolarHBondContact O-OH 2.97Å; N8-Y10 WeakPolarHBondContact O-CD2 3.43Å; N8-Y10 WeakPolarHBondContact O-CE2 3.49Å; Y10-P105 HydrophobicContact CD1-CB 4.29Å; Y10-P105 HydrophobicContact CD2-CB 4.15Å; Y10-P105 HydrophobicContact CE2-CB 4.49Å; Y10-P105 HydrophobicContact CG-CB 4.06Å; Y10-P106 HydrophobicContact CE2-CG 3.91Å; Y10-P106 WeakPolarHBondContact OH-CD 3.37Å; Y10-P106 WeakPolarHBondContact OH-CG 3.29Å; Y10-L108 HydrophobicContact CE2-CD1 4.37Å
11A90.7Very high76.9Confident70 Ų70107.6 Ų107.658%0.57952%0.52SS*.  trans-76.6126.6177.200000110.7S32A11-S32 WeakPolarHBondContact O-CB 3.47Å; A11-S32 PolarHBondContact O-N 3.4Å
12A92.5Very high78.2Confident32 Ų3298.6 Ų98.626%0.26448%0.475SS..EExtended strand (participates in β ladder)trans-105.7144.7173.500000110.6I29 W31 L52A12-I29 HydrophobicContact CB-CG2 3.45Å; A12-I29 VanDerWaalsContact CB-CG2 3.45Å; A12-W31 HydrophobicContact CB-CE3 4.09Å; A12-W31 HydrophobicContact CB-CZ3 4.22Å; A12-L52 HydrophobicContact CB-CD1 3.84Å
13E93.1Very high79.4Confident117 Ų11792.7 Ų92.755%0.54747%0.467SS..EExtended strand (participates in β ladder)trans-87.6-52.5176.1-174.2178.4164.100111.1H30 L52E13-H30 PolarHBondContact N-O 2.59Å; E13-H30 IonicContact OE2-CD2 3.33Å; E13-H30 PolarHBondContact OE2-CD2 3.47Å; E13-H30 IonicContact OE2-NE2 3.57Å; E13-L52 WeakPolarHBondContact O-CD2 3.12Å
14C93.1Very high80.8Confident35 Ų3588.2 Ų88.224%0.23645%0.453CS..EExtended strand (participates in β ladder)trans-156.2164179.9670000112.6H30C14-H30 PolarHBondContact N-O 3.18Å; C14-H30 PolarHBondContact O-N 3.39Å
15I93.2Very high82.3Confident14 Ų1485.7 Ų85.77%0.07244%0.441CS..EExtended strand (participates in β ladder)trans-95.2125168.5-64.7173.9000108.6Y27 I29 I47 L52 L53 F56I15-Y27 HydrophobicContact CD1-CD1 4.21Å; I15-Y27 HydrophobicContact CD1-CG 4.22Å; I15-Y27 HydrophobicContact CG2-CD1 3.58Å; I15-Y27 HydrophobicContact CG2-CE1 4.49Å; I15-Y27 HydrophobicContact CG2-CG 4.12Å; I15-I29 HydrophobicContact CD1-CD1 4.41Å; I15-I29 HydrophobicContact CG1-CD1 3.71Å; I15-I47 HydrophobicContact CD1-CG2 4.32Å; I15-L52 HydrophobicContact CD1-CB 3.82Å; I15-L52 HydrophobicContact CG1-CB 4.01Å; I15-L53 HydrophobicContact CD1-CD2 3.69Å; I15-L53 HydrophobicContact CD1-CG 4.25Å; I15-F56 HydrophobicContact CB-CB 3.9Å; I15-F56 HydrophobicContact CB-CD2 4.04Å; I15-F56 HydrophobicContact CB-CG 3.98Å; I15-F56 HydrophobicContact CD1-CB 4.45Å; I15-F56 HydrophobicContact CG2-CB 4.03Å; I15-F56 HydrophobicContact CG2-CD1 4.01Å; I15-F56 HydrophobicContact CG2-CD2 3.54Å; I15-F56 HydrophobicContact CG2-CE1 4.48Å; I15-F56 HydrophobicContact CG2-CE2 4.01Å; I15-F56 HydrophobicContact CG2-CG 3.54Å; I15-F56 HydrophobicContact CG2-CZ 4.46Å; I15-F56 VanDerWaalsContact O-CD2 3.3Å; I15-F56 WeakPolarHBondContact O-CD2 3.47Å
16K88.8Confident83.7Confident71 Ų7182.5 Ų82.531%0.30942%0.415SS..EExtended strand (participates in β ladder)trans-91.2-41-178.3-76.2179.1175.6160.30113.7L28 H30 S36 D39K16-L28 HydrophobicContact CB-CB 4.44Å; K16-L28 HydrophobicContact CB-CD2 4.09Å; K16-L28 HydrophobicContact CB-CG 4.32Å; K16-L28 PolarHBondContact N-O 2.85Å; K16-H30 HydrophobicContact CD-CB 4.18Å; K16-H30 HydrophobicContact CG-CB 4.37Å; K16-H30 VanDerWaalsContact NZ-CG 3.3Å; K16-H30 PolarHBondContact NZ-ND1 3.12Å; K16-S36 PolarHBondContact NZ-OG 3.34Å; K16-D39 WeakPolarHBondContact CD-OD2 3.07Å; K16-D39 WeakPolarHBondContact CE-OD2 3.29Å; K16-D39 IonicContact NZ-OD1 3.48Å; K16-D39 PolarHBondContact NZ-OD1 3.29Å; K16-D39 IonicContact NZ-OD2 2.68Å; K16-D39 PolarHBondContact NZ-OD2 3.15Å
17K88.3Confident85.1Confident128 Ų12873.3 Ų73.356%0.55738%0.38SS*.EExtended strand (participates in β ladder)trans-145.9159.7-174.2-64.5-176.2-178.9175.10110.8Y27 L28 W41K17-Y27 CarbonylContact O-C 3.59Å; K17-Y27 WeakPolarHBondContact O-CA 3.42Å; K17-L28 HydrophobicContact CB-CB 3.94Å; K17-L28 HydrophobicContact CB-CD2 4.33Å; K17-L28 HydrophobicContact CD-CD2 4.16Å; K17-L28 HydrophobicContact CG-CD2 4.25Å; K17-L28 PolarHBondContact O-N 3.26Å; K17-W41 HydrophobicContact CB-CH2 3.65Å; K17-W41 HydrophobicContact CB-CZ2 4.45Å; K17-W41 HydrophobicContact CB-CZ3 4.23Å
18R87.2Confident86.2Confident129 Ų12968.5 Ų68.549%0.48736%0.358SS..EExtended strand (participates in β ladder)trans-125137.9169.4-175.1-173.392.5-141.58.5109.3V25 E26 Y27 F56R18-V25 HydrophobicContact CG-CG1 3.75Å; R18-E26 WeakPolarHBondContact CA-O 3.24Å; R18-Y27 HydrophobicContact CB-CD1 3.8Å; R18-Y27 HydrophobicContact CB-CE1 3.73Å; R18-Y27 HydrophobicContact CG-CD1 3.87Å; R18-Y27 HydrophobicContact CG-CE1 3.5Å; R18-Y27 VanDerWaalsContact CG-CE1 3.5Å; R18-F56 HydrophobicContact CB-CE1 3.49Å; R18-F56 VanDerWaalsContact CB-CE1 3.49Å; R18-F56 HydrophobicContact CB-CZ 3.65Å; R18-F56 HydrophobicContact CG-CE1 4.45Å
19R84.8Confident86.8Confident90 Ų9064.5 Ų64.534%0.3434%0.337SS..EExtended strand (participates in β ladder)trans-133.7164.9169.373.4-174.5-176.5-174.8-0.2110E26 W41R19-E26 HydrophobicContact CG-CB 4.04Å; R19-E26 IonicContact CZ-OE2 3.78Å; R19-E26 PolarHBondContact N-O 2.97Å; R19-E26 IonicContact NE-OE2 3.33Å; R19-E26 PolarHBondContact NE-OE2 3.49Å; R19-E26 IonicContact NH2-OE2 3.54Å; R19-E26 PolarHBondContact NH2-OE2 2.85Å; R19-E26 PolarHBondContact O-N 3.49Å; R19-W41 HydrophobicContact CB-CH2 3.94Å; R19-W41 HydrophobicContact CB-CZ3 3.81Å; R19-W41 HydrophobicContact CG-CD2 4.27Å; R19-W41 HydrophobicContact CG-CE3 3.63Å; R19-W41 HydrophobicContact CG-CH2 3.85Å; R19-W41 HydrophobicContact CG-CZ2 4.46Å; R19-W41 HydrophobicContact CG-CZ3 3.41Å; R19-W41 VanDerWaalsContact CG-CZ3 3.41Å; R19-W41 VanDerWaalsContact CZ-CD2 3.43Å; R19-W41 VanDerWaalsContact NE-CD2 3.34Å; R19-W41 VanDerWaalsContact NH2-CG 3.31Å
20V83.9Confident87.2Confident96 Ų9661.2 Ų61.258%0.58232%0.316SS*.EExtended strand (participates in β ladder)trans-119.2119.6171.7-178.90000107.1K24 V25V20-K24 CarbonylContact C-O 3.53Å; V20-K24 VanDerWaalsContact CA-O 3.31Å; V20-K24 WeakPolarHBondContact CA-O 3.23Å; V20-V25 HydrophobicContact CG2-CG2 4.39Å
21R78Confident87.4Confident60 Ų6058.5 Ų58.523%0.22631%0.305CS..EExtended strand (participates in β ladder)trans-122.9125.8176.7176.5173.7151.9142.3-7.9107.5G23 K24 E116 E119R21-G23 PolarHBondContact O-N 3.17Å; R21-G23 VanDerWaalsContact O-N 3.15Å; R21-K24 PolarHBondContact N-O 3.33Å; R21-K24 PolarHBondContact O-N 3.13Å; R21-E116 IonicContact CZ-OE1 3.25Å; R21-E116 VanDerWaalsContact CZ-OE1 3.25Å; R21-E116 IonicContact NH1-OE1 2.79Å; R21-E116 PolarHBondContact NH1-OE1 2.91Å; R21-E116 IonicContact NH2-OE1 2.75Å; R21-E116 PolarHBondContact NH2-OE1 2.76Å; R21-E119 IonicContact NH2-OE2 3.22Å
22K72.8Confident87.4Confident55 Ų5558.2 Ų58.224%0.23930%0.299CS..THydrogen-bonded Turntrans56.634.9174.8-56.9165164.8-146.10113.1K24 E119 L123K22-K24 PolarHBondContact O-N 3.43Å; K22-E119 WeakPolarHBondContact CD-OE1 3.41Å; K22-E119 IonicContact NZ-OE1 3.53Å; K22-E119 PolarHBondContact NZ-OE1 3.44Å; K22-E119 IonicContact NZ-OE2 2.77Å; K22-E119 PolarHBondContact NZ-OE2 3.49Å; K22-L123 HydrophobicContact CB-CD1 3.79Å; K22-L123 HydrophobicContact CB-CD2 3.87Å; K22-L123 HydrophobicContact CD-CD1 3.11Å; K22-L123 HydrophobicContact CD-CG 4.44Å; K22-L123 HydrophobicContact CG-CD1 3.33Å; K22-L123 HydrophobicContact CG-CD2 3.99Å; K22-L123 HydrophobicContact CG-CG 4.28Å
23G78.3Confident87.3Confident73 Ų7360.5 Ų60.575%0.75333%0.325SS*.THydrogen-bonded Turntrans76.1-2.6-176.400000115.2R21R21-G23 PolarHBondContact O-N 3.17Å; R21-G23 VanDerWaalsContact O-N 3.15Å
24K81.3Confident87.1Confident122 Ų12257.1 Ų57.153%0.5331%0.308SS..EExtended strand (participates in β ladder)trans-97.9140176.1-61.6-169.7173-158.20110.9V20 R21 K22V20-K24 CarbonylContact C-O 3.53Å; V20-K24 VanDerWaalsContact CA-O 3.31Å; V20-K24 WeakPolarHBondContact CA-O 3.23Å; R21-K24 PolarHBondContact N-O 3.33Å; R21-K24 PolarHBondContact O-N 3.13Å; K22-K24 PolarHBondContact O-N 3.43Å
25V83.7Confident86.8Confident37 Ų3758.5 Ų58.522%0.22432%0.318CS..EExtended strand (participates in β ladder)trans-83.8129.9174.6-178.30000108.5R18 V20 Y27 E44R18-V25 HydrophobicContact CG-CG1 3.75Å; V20-V25 HydrophobicContact CG2-CG2 4.39Å; V25-Y27 HydrophobicContact CG1-CD2 4.31Å; V25-Y27 HydrophobicContact CG1-CE1 4.46Å; V25-Y27 HydrophobicContact CG1-CE2 3.66Å; V25-E44 HydrophobicContact CB-CB 4.23Å; V25-E44 PolarHBondContact O-N 2.71Å
26E88.4Confident86.3Confident30 Ų3061.3 Ų61.314%0.1434%0.339CS..EExtended strand (participates in β ladder)trans-125.6145.8175.7-63.3173.2174.900109.6R18 R19 W41 E42R18-E26 WeakPolarHBondContact CA-O 3.24Å; R19-E26 HydrophobicContact CG-CB 4.04Å; R19-E26 IonicContact CZ-OE2 3.78Å; R19-E26 PolarHBondContact N-O 2.97Å; R19-E26 IonicContact NE-OE2 3.33Å; R19-E26 PolarHBondContact NE-OE2 3.49Å; R19-E26 IonicContact NH2-OE2 3.54Å; R19-E26 PolarHBondContact NH2-OE2 2.85Å; R19-E26 PolarHBondContact O-N 3.49Å; E26-W41 HydrophobicContact CB-CE3 4.11Å; E26-E42 CarbonylContact C-O 3.59Å; E26-E42 VanDerWaalsContact CA-O 3.29Å; E26-E42 WeakPolarHBondContact CA-O 3.19Å
27Y88.4Confident86.1Confident4 Ų467.1 Ų67.12%0.01636%0.364CS..EExtended strand (participates in β ladder)trans-120.9135.5-179.2-68.7-76.1000110.4I15 K17 R18 V25 I29 W41 E42 E44 I47 L53 F56 H57I15-Y27 HydrophobicContact CD1-CD1 4.21Å; I15-Y27 HydrophobicContact CD1-CG 4.22Å; I15-Y27 HydrophobicContact CG2-CD1 3.58Å; I15-Y27 HydrophobicContact CG2-CE1 4.49Å; I15-Y27 HydrophobicContact CG2-CG 4.12Å; K17-Y27 CarbonylContact O-C 3.59Å; K17-Y27 WeakPolarHBondContact O-CA 3.42Å; R18-Y27 HydrophobicContact CB-CD1 3.8Å; R18-Y27 HydrophobicContact CB-CE1 3.73Å; R18-Y27 HydrophobicContact CG-CD1 3.87Å; R18-Y27 HydrophobicContact CG-CE1 3.5Å; R18-Y27 VanDerWaalsContact CG-CE1 3.5Å; V25-Y27 HydrophobicContact CG1-CD2 4.31Å; V25-Y27 HydrophobicContact CG1-CE1 4.46Å; V25-Y27 HydrophobicContact CG1-CE2 3.66Å; Y27-I29 PolarHBondContact O-N 2.92Å; Y27-W41 WeakPolarHBondContact O-CA 3.17Å; Y27-E42 PolarHBondContact N-O 2.79Å; Y27-E42 PolarHBondContact O-N 2.98Å; Y27-E44 HydrophobicContact CD2-CB 4.46Å; Y27-E44 HydrophobicContact CE2-CB 4.03Å; Y27-E44 HydrophobicContact CE2-CG 4.16Å; Y27-I47 HydrophobicContact CD2-CG1 4.07Å; Y27-L53 HydrophobicContact CD1-CD2 4.47Å; Y27-L53 HydrophobicContact CD2-CD2 3.94Å; Y27-L53 HydrophobicContact CE1-CD2 3.98Å; Y27-L53 HydrophobicContact CE2-CD2 3.41Å; Y27-L53 VanDerWaalsContact CE2-CD2 3.41Å; Y27-L53 HydrophobicContact CG-CD2 4.43Å; Y27-L53 VanDerWaalsContact CZ-CD2 3.42Å; Y27-F56 HydrophobicContact CD1-CD1 4.17Å; Y27-F56 HydrophobicContact CD1-CE1 4.19Å; Y27-F56 AromaticContact CE1-CD1 3.77Å; Y27-F56 HydrophobicContact CE1-CD1 3.77Å; Y27-F56 AromaticContact CE1-CE1 3.85Å; Y27-F56 HydrophobicContact CE1-CE1 3.85Å; Y27-H57 PolarHBondContact OH-NE2 2.91Å; Y27-H57 VanDerWaalsContact OH-NE2 3.16Å
28L90.8Very high86Confident22 Ų2264 Ų6412%0.11535%0.354CS..EExtended strand (participates in β ladder)trans-82.5112.7173.1-177.466000108.3K16 K17 D39 S40 W41K16-L28 HydrophobicContact CB-CB 4.44Å; K16-L28 HydrophobicContact CB-CD2 4.09Å; K16-L28 HydrophobicContact CB-CG 4.32Å; K16-L28 PolarHBondContact N-O 2.85Å; K17-L28 HydrophobicContact CB-CB 3.94Å; K17-L28 HydrophobicContact CB-CD2 4.33Å; K17-L28 HydrophobicContact CD-CD2 4.16Å; K17-L28 HydrophobicContact CG-CD2 4.25Å; K17-L28 PolarHBondContact O-N 3.26Å; L28-D39 HydrophobicContact CD1-CB 3.69Å; L28-D39 HydrophobicContact CG-CB 4.09Å; L28-S40 WeakPolarHBondContact CA-O 3.42Å; L28-W41 HydrophobicContact CB-CD2 4.08Å; L28-W41 HydrophobicContact CB-CE3 3.94Å; L28-W41 HydrophobicContact CB-CH2 3.9Å; L28-W41 HydrophobicContact CB-CZ2 4.01Å; L28-W41 HydrophobicContact CB-CZ3 3.84Å; L28-W41 HydrophobicContact CD1-CD2 4.2Å; L28-W41 HydrophobicContact CD1-CG 4.32Å; L28-W41 HydrophobicContact CD1-CZ2 4.47Å; L28-W41 HydrophobicContact CD2-CZ2 4.41Å
29I92.8Very high85.9Confident2 Ų259.3 Ų59.31%0.0134%0.338CS..EExtended strand (participates in β ladder)trans-96.4130.1-173.6-52.7-51.2000110A12 I15 Y27 W31 D39 S40 E42 I47A12-I29 HydrophobicContact CB-CG2 3.45Å; A12-I29 VanDerWaalsContact CB-CG2 3.45Å; I15-I29 HydrophobicContact CD1-CD1 4.41Å; I15-I29 HydrophobicContact CG1-CD1 3.71Å; Y27-I29 PolarHBondContact O-N 2.92Å; I29-W31 HydrophobicContact CB-CD2 4.44Å; I29-W31 HydrophobicContact CB-CH2 4.41Å; I29-W31 HydrophobicContact CB-CZ2 4.01Å; I29-W31 HydrophobicContact CG1-CZ2 4.47Å; I29-W31 HydrophobicContact CG2-CD2 3.79Å; I29-W31 HydrophobicContact CG2-CE3 3.81Å; I29-W31 HydrophobicContact CG2-CG 4.47Å; I29-W31 HydrophobicContact CG2-CH2 3.97Å; I29-W31 HydrophobicContact CG2-CZ2 3.95Å; I29-W31 HydrophobicContact CG2-CZ3 3.89Å; I29-D39 WeakPolarHBondContact O-CA 3.35Å; I29-D39 WeakPolarHBondContact O-CB 3.34Å; I29-S40 PolarHBondContact N-O 3.37Å; I29-E42 HydrophobicContact CB-CG 4.42Å; I29-E42 HydrophobicContact CG1-CB 3.83Å; I29-E42 HydrophobicContact CG1-CG 3.64Å; I29-I47 HydrophobicContact CD1-CD1 3.49Å; I29-I47 VanDerWaalsContact CD1-CD1 3.49Å; I29-I47 HydrophobicContact CG1-CD1 4.01Å
30H92.6Very high86.1Confident23 Ų2355.5 Ų55.511%0.10633%0.325CS..EExtended strand (participates in β ladder)trans-92.5115.8165.3-167.444.5000109.2E13 C14 K16 Y34 D39E13-H30 PolarHBondContact N-O 2.59Å; E13-H30 IonicContact OE2-CD2 3.33Å; E13-H30 PolarHBondContact OE2-CD2 3.47Å; E13-H30 IonicContact OE2-NE2 3.57Å; C14-H30 PolarHBondContact N-O 3.18Å; C14-H30 PolarHBondContact O-N 3.39Å; K16-H30 HydrophobicContact CD-CB 4.18Å; K16-H30 HydrophobicContact CG-CB 4.37Å; K16-H30 VanDerWaalsContact NZ-CG 3.3Å; K16-H30 PolarHBondContact NZ-ND1 3.12Å; H30-Y34 PolarHBondContact CE1-O 3.11Å; H30-D39 WeakPolarHBondContact CA-OD1 3.47Å; H30-D39 IonicContact CE1-OD1 3.73Å; H30-D39 IonicContact CG-OD1 3.62Å; H30-D39 IonicContact ND1-OD1 2.72Å; H30-D39 PolarHBondContact ND1-OD1 2.88Å; H30-D39 IonicContact ND1-OD2 3.93Å
31W93.8Very high86.5Confident18 Ų1854.3 Ų54.37%0.06831%0.31CS..EExtended strand (participates in β ladder)trans-84.6137.9-174.6-58.5108.1000111.9A12 I29 G33 Y34 D38 S40 E42 P105A12-W31 HydrophobicContact CB-CE3 4.09Å; A12-W31 HydrophobicContact CB-CZ3 4.22Å; I29-W31 HydrophobicContact CB-CD2 4.44Å; I29-W31 HydrophobicContact CB-CH2 4.41Å; I29-W31 HydrophobicContact CB-CZ2 4.01Å; I29-W31 HydrophobicContact CG1-CZ2 4.47Å; I29-W31 HydrophobicContact CG2-CD2 3.79Å; I29-W31 HydrophobicContact CG2-CE3 3.81Å; I29-W31 HydrophobicContact CG2-CG 4.47Å; I29-W31 HydrophobicContact CG2-CH2 3.97Å; I29-W31 HydrophobicContact CG2-CZ2 3.95Å; I29-W31 HydrophobicContact CG2-CZ3 3.89Å; W31-G33 PolarHBondContact O-N 2.9Å; W31-Y34 HydrophobicContact CB-CD2 3.46Å; W31-Y34 VanDerWaalsContact CB-CD2 3.46Å; W31-Y34 HydrophobicContact CB-CE2 4.25Å; W31-Y34 HydrophobicContact CB-CG 4.04Å; W31-Y34 PolarHBondContact O-N 3.47Å; W31-Y34 VanDerWaalsContact O-N 3.15Å; W31-D38 VanDerWaalsContact CD1-O 3.28Å; W31-S40 WeakPolarHBondContact CZ2-OG 3.39Å; W31-S40 PolarHBondContact NE1-OG 2.79Å; W31-E42 HydrophobicContact CH2-CG 4.05Å; W31-E42 HydrophobicContact CZ2-CG 3.72Å; W31-P105 HydrophobicContact CB-CG 4.22Å; W31-P105 VanDerWaalsContact CD1-CG 3.43Å; W31-P105 HydrophobicContact CD2-CB 4.32Å; W31-P105 HydrophobicContact CD2-CG 3.79Å; W31-P105 HydrophobicContact CG-CG 3.57Å
32S90.5Very high87Confident65 Ų6551.6 Ų51.646%0.45530%0.3SS..THydrogen-bonded Turntrans-64.7123.2-178.61750000110.9A11 Y34A11-S32 WeakPolarHBondContact O-CB 3.47Å; A11-S32 PolarHBondContact O-N 3.4Å; S32-Y34 VanDerWaalsContact O-CD2 3.25Å; S32-Y34 WeakPolarHBondContact O-CD2 3.36Å; S32-Y34 WeakPolarHBondContact O-CE2 3.44Å
33G89.9Confident87.7Confident79 Ų7949.7 Ų49.781%0.81429%0.294SS*.THydrogen-bonded Turntrans85.34.6-179.700000114.8W31W31-G33 PolarHBondContact O-N 2.9Å
34Y88.3Confident88.3Confident46 Ų4650.8 Ų50.818%0.1828%0.279CS..SBendtrans-114162.7179.4-61.9-86.9000112.1H30 W31 S32 S102 P103 P104H30-Y34 PolarHBondContact CE1-O 3.11Å; W31-Y34 HydrophobicContact CB-CD2 3.46Å; W31-Y34 VanDerWaalsContact CB-CD2 3.46Å; W31-Y34 HydrophobicContact CB-CE2 4.25Å; W31-Y34 HydrophobicContact CB-CG 4.04Å; W31-Y34 PolarHBondContact O-N 3.47Å; W31-Y34 VanDerWaalsContact O-N 3.15Å; S32-Y34 VanDerWaalsContact O-CD2 3.25Å; S32-Y34 WeakPolarHBondContact O-CD2 3.36Å; S32-Y34 WeakPolarHBondContact O-CE2 3.44Å; Y34-S102 WeakPolarHBondContact CE1-O 3.43Å; Y34-S102 WeakPolarHBondContact OH-CB 3.22Å; Y34-S102 PolarHBondContact OH-O 2.73Å; Y34-P103 PolarHBondContact OH-O 2.77Å; Y34-P104 VanDerWaalsContact CE1-CA 3.46Å; Y34-P104 HydrophobicContact CE1-CB 4.43Å
35S86.7Confident88.6Confident65 Ų6551.6 Ų51.646%0.45529%0.285SS..  trans-80.3162.9177.6-167.50000110.5K37 D38S35-K37 PolarHBondContact O-N 2.73Å; S35-D38 PolarHBondContact N-OD2 2.76Å; S35-D38 PolarHBondContact O-N 3.03Å
36S82.3Confident88.9Confident73 Ų7353 Ų5351%0.5129%0.291SS..THydrogen-bonded Turntrans-61.3-10.1171.8-62.10000113.9K16 D38 D39K16-S36 PolarHBondContact NZ-OG 3.34Å; S36-D38 VanDerWaalsContact C-N 3.34Å; S36-D39 WeakPolarHBondContact CA-OD1 3.47Å; S36-D39 VanDerWaalsContact O-CG 3.29Å
37K85.3Confident89Confident192 Ų19252.8 Ų52.884%0.83529%0.291SS*.THydrogen-bonded Turntrans-75-25.6173.7-64.4179.7-178.7176.10112.7S35 D39S35-K37 PolarHBondContact O-N 2.73Å; K37-D39 VanDerWaalsContact C-N 3.32Å
38D85.6Confident89.1Confident64 Ų6458.8 Ų58.834%0.34232%0.322SS..SBendtrans-91.80.8-178.7-53.9-62.5000111.8W31 S35 S36 S40W31-D38 VanDerWaalsContact CD1-O 3.28Å; S35-D38 PolarHBondContact N-OD2 2.76Å; S35-D38 PolarHBondContact O-N 3.03Å; S36-D38 VanDerWaalsContact C-N 3.34Å; D38-S40 PolarHBondContact O-N 2.75Å
39D86.5Confident89.2Confident29 Ų2960.3 Ų60.316%0.15533%0.33CS..  trans-59.4125.6177.1-64.5-8.3000110.1K16 L28 I29 H30 S36 K37K16-D39 WeakPolarHBondContact CD-OD2 3.07Å; K16-D39 WeakPolarHBondContact CE-OD2 3.29Å; K16-D39 IonicContact NZ-OD1 3.48Å; K16-D39 PolarHBondContact NZ-OD1 3.29Å; K16-D39 IonicContact NZ-OD2 2.68Å; K16-D39 PolarHBondContact NZ-OD2 3.15Å; L28-D39 HydrophobicContact CD1-CB 3.69Å; L28-D39 HydrophobicContact CG-CB 4.09Å; I29-D39 WeakPolarHBondContact O-CA 3.35Å; I29-D39 WeakPolarHBondContact O-CB 3.34Å; H30-D39 WeakPolarHBondContact CA-OD1 3.47Å; H30-D39 IonicContact CE1-OD1 3.73Å; H30-D39 IonicContact CG-OD1 3.62Å; H30-D39 IonicContact ND1-OD1 2.72Å; H30-D39 PolarHBondContact ND1-OD1 2.88Å; H30-D39 IonicContact ND1-OD2 3.93Å; S36-D39 WeakPolarHBondContact CA-OD1 3.47Å; S36-D39 VanDerWaalsContact O-CG 3.29Å; K37-D39 VanDerWaalsContact C-N 3.32Å
40S88.5Confident89.2Confident10 Ų1067 Ų677%0.0736%0.362CS..EExtended strand (participates in β ladder)trans-116.3155-179.863.20000111.4L28 I29 W31 D38 E42L28-S40 WeakPolarHBondContact CA-O 3.42Å; I29-S40 PolarHBondContact N-O 3.37Å; W31-S40 WeakPolarHBondContact CZ2-OG 3.39Å; W31-S40 PolarHBondContact NE1-OG 2.79Å; D38-S40 PolarHBondContact O-N 2.75Å; S40-E42 PolarHBondContact OG-OE1 2.85Å
41W91.3Very high89.2Confident71 Ų7174.5 Ų74.527%0.26939%0.389SS..EExtended strand (participates in β ladder)trans-88.3114.9172.6-7194.5000109.2K17 R19 E26 Y27 L28K17-W41 HydrophobicContact CB-CH2 3.65Å; K17-W41 HydrophobicContact CB-CZ2 4.45Å; K17-W41 HydrophobicContact CB-CZ3 4.23Å; R19-W41 HydrophobicContact CB-CH2 3.94Å; R19-W41 HydrophobicContact CB-CZ3 3.81Å; R19-W41 HydrophobicContact CG-CD2 4.27Å; R19-W41 HydrophobicContact CG-CE3 3.63Å; R19-W41 HydrophobicContact CG-CH2 3.85Å; R19-W41 HydrophobicContact CG-CZ2 4.46Å; R19-W41 HydrophobicContact CG-CZ3 3.41Å; R19-W41 VanDerWaalsContact CG-CZ3 3.41Å; R19-W41 VanDerWaalsContact CZ-CD2 3.43Å; R19-W41 VanDerWaalsContact NE-CD2 3.34Å; R19-W41 VanDerWaalsContact NH2-CG 3.31Å; E26-W41 HydrophobicContact CB-CE3 4.11Å; Y27-W41 WeakPolarHBondContact O-CA 3.17Å; L28-W41 HydrophobicContact CB-CD2 4.08Å; L28-W41 HydrophobicContact CB-CE3 3.94Å; L28-W41 HydrophobicContact CB-CH2 3.9Å; L28-W41 HydrophobicContact CB-CZ2 4.01Å; L28-W41 HydrophobicContact CB-CZ3 3.84Å; L28-W41 HydrophobicContact CD1-CD2 4.2Å; L28-W41 HydrophobicContact CD1-CG 4.32Å; L28-W41 HydrophobicContact CD1-CZ2 4.47Å; L28-W41 HydrophobicContact CD2-CZ2 4.41Å
42E89.8Confident89.2Confident3 Ų374.7 Ų74.71%0.01439%0.391CS..EExtended strand (participates in β ladder)trans-109.9138.3179-61.2-57.8144.400109.8E26 Y27 I29 W31 S40 N46 I47E26-E42 CarbonylContact C-O 3.59Å; E26-E42 VanDerWaalsContact CA-O 3.29Å; E26-E42 WeakPolarHBondContact CA-O 3.19Å; Y27-E42 PolarHBondContact N-O 2.79Å; Y27-E42 PolarHBondContact O-N 2.98Å; I29-E42 HydrophobicContact CB-CG 4.42Å; I29-E42 HydrophobicContact CG1-CB 3.83Å; I29-E42 HydrophobicContact CG1-CG 3.64Å; W31-E42 HydrophobicContact CH2-CG 4.05Å; W31-E42 HydrophobicContact CZ2-CG 3.72Å; S40-E42 PolarHBondContact OG-OE1 2.85Å; E42-N46 HydrophobicContact CB-CB 4.14Å; E42-N46 PolarHBondContact OE2-ND2 3.41Å; E42-I47 HydrophobicContact CB-CD1 4.05Å
43P87.9Confident89.2Confident16 Ų1672.7 Ų72.710%0.10438%0.375CS..EExtended strand (participates in β ladder)trans-64155.3173.830.6-37.1000110.7E45 N46P43-E45 HydrophobicContact CB-CG 3.92Å; P43-E45 HydrophobicContact CG-CG 3.76Å; P43-E45 PolarHBondContact O-N 2.67Å; P43-E45 VanDerWaalsContact O-N 3.09Å; P43-N46 WeakPolarHBondContact CD-ND2 3.33Å; P43-N46 HydrophobicContact CG-CB 4.13Å; P43-N46 WeakPolarHBondContact O-CB 3.25Å; P43-N46 PolarHBondContact O-N 3.48Å
44E89.6Confident89.3Confident95 Ų9573.4 Ų73.444%0.44436%0.36SS..G310 helixtrans-51.7-34.1177179.2169.5-148.700113V25 Y27 N46 I47V25-E44 HydrophobicContact CB-CB 4.23Å; V25-E44 PolarHBondContact O-N 2.71Å; Y27-E44 HydrophobicContact CD2-CB 4.46Å; Y27-E44 HydrophobicContact CE2-CB 4.03Å; Y27-E44 HydrophobicContact CE2-CG 4.16Å; E44-N46 PolarHBondContact O-N 2.79Å; E44-I47 PolarHBondContact O-N 2.76Å; E44-I47 VanDerWaalsContact O-N 3.15Å
45E88.6Confident89.5Confident140 Ų14077.2 Ų77.265%0.65438%0.38SS*.G310 helixtrans-64.4-23177.568.9-163154.500114.4P43P43-E45 HydrophobicContact CB-CG 3.92Å; P43-E45 HydrophobicContact CG-CG 3.76Å; P43-E45 PolarHBondContact O-N 2.67Å; P43-E45 VanDerWaalsContact O-N 3.09Å
46N89.6Confident89.6Confident67 Ų6775 Ų7536%0.35836%0.362SS..G310 helixtrans-83.6-11.7177.3-764.1000112.6E42 P43 E44 L48E42-N46 HydrophobicContact CB-CB 4.14Å; E42-N46 PolarHBondContact OE2-ND2 3.41Å; P43-N46 WeakPolarHBondContact CD-ND2 3.33Å; P43-N46 HydrophobicContact CG-CB 4.13Å; P43-N46 WeakPolarHBondContact O-CB 3.25Å; P43-N46 PolarHBondContact O-N 3.48Å; E44-N46 PolarHBondContact O-N 2.79Å; N46-L48 PolarHBondContact O-N 3.39Å
47I91.2Very high89.9Confident25 Ų2574.6 Ų74.613%0.12835%0.352CS..  trans-87.393.4-176.4-46.9-52.4000109.7I15 Y27 I29 E42 E44 L53I15-I47 HydrophobicContact CD1-CG2 4.32Å; Y27-I47 HydrophobicContact CD2-CG1 4.07Å; I29-I47 HydrophobicContact CD1-CD1 3.49Å; I29-I47 VanDerWaalsContact CD1-CD1 3.49Å; I29-I47 HydrophobicContact CG1-CD1 4.01Å; E42-I47 HydrophobicContact CB-CD1 4.05Å; E44-I47 PolarHBondContact O-N 2.76Å; E44-I47 VanDerWaalsContact O-N 3.15Å; I47-L53 HydrophobicContact CB-CD1 4.49Å; I47-L53 HydrophobicContact CG2-CD1 4.2Å; I47-L53 HydrophobicContact CG2-CD2 4.15Å; I47-L53 HydrophobicContact CG2-CG 3.89Å
48L90.7Very high89.9Confident130 Ų13069.2 Ų69.268%0.68134%0.339SS*.  trans-78.8-23.2-177.7-55.9-179.1000113.6V9 N46V9-L48 HydrophobicContact CG1-CD1 4.29Å; V9-L48 HydrophobicContact CG2-CD1 4.16Å; N46-L48 PolarHBondContact O-N 3.39Å
49D91.5Very high89.5Confident53 Ų5369.2 Ų69.228%0.28334%0.344SS..  trans-100104.1179.6-168.5-12.9000111.4R51 L52D49-R51 PolarHBondContact O-N 2.96Å; D49-R51 VanDerWaalsContact OD1-CB 3.27Å; D49-R51 WeakPolarHBondContact OD1-CB 3Å; D49-R51 VanDerWaalsContact OD1-CG 3.31Å; D49-R51 WeakPolarHBondContact OD1-CG 3.44Å; D49-R51 IonicContact OD1-CZ 3.9Å; D49-R51 PolarHBondContact OD1-N 3.35Å; D49-R51 IonicContact OD1-NE 2.98Å; D49-R51 PolarHBondContact OD1-NE 2.79Å; D49-R51 IonicContact OD1-NH2 3.94Å; D49-R51 IonicContact OD2-CZ 3.32Å; D49-R51 VanDerWaalsContact OD2-CZ 3.32Å; D49-R51 IonicContact OD2-NE 3.14Å; D49-R51 PolarHBondContact OD2-NE 2.81Å; D49-R51 VanDerWaalsContact OD2-NE 3.14Å; D49-R51 IonicContact OD2-NH2 2.68Å; D49-R51 PolarHBondContact OD2-NH2 2.71Å; D49-L52 HydrophobicContact CB-CD1 4.1Å; D49-L52 HydrophobicContact CB-CG 4.25Å; D49-L52 WeakPolarHBondContact O-CB 3.47Å; D49-L52 PolarHBondContact O-N 2.97Å
50Q92.1Very high88.5Confident143 Ų14369.6 Ų69.667%0.66835%0.349SS*.Hα-helixtrans-63-23.4-179.4-65.9-173.77.100113.4L52 L53 D54Q50-L52 PolarHBondContact O-N 3.46Å; Q50-L53 WeakPolarHBondContact O-CB 3.45Å; Q50-L53 PolarHBondContact O-N 2.88Å; Q50-D54 PolarHBondContact O-N 3.12Å
51R93.5Very high87Confident181 Ų18176.7 Ų76.768%0.68338%0.378SS*.Hα-helixtrans-62-34.8179.6-59176.3-63.4166.34.2111.6D49 L53 D54 E55D49-R51 PolarHBondContact O-N 2.96Å; D49-R51 VanDerWaalsContact OD1-CB 3.27Å; D49-R51 WeakPolarHBondContact OD1-CB 3Å; D49-R51 VanDerWaalsContact OD1-CG 3.31Å; D49-R51 WeakPolarHBondContact OD1-CG 3.44Å; D49-R51 IonicContact OD1-CZ 3.9Å; D49-R51 PolarHBondContact OD1-N 3.35Å; D49-R51 IonicContact OD1-NE 2.98Å; D49-R51 PolarHBondContact OD1-NE 2.79Å; D49-R51 IonicContact OD1-NH2 3.94Å; D49-R51 IonicContact OD2-CZ 3.32Å; D49-R51 VanDerWaalsContact OD2-CZ 3.32Å; D49-R51 IonicContact OD2-NE 3.14Å; D49-R51 PolarHBondContact OD2-NE 2.81Å; D49-R51 VanDerWaalsContact OD2-NE 3.14Å; D49-R51 IonicContact OD2-NH2 2.68Å; D49-R51 PolarHBondContact OD2-NH2 2.71Å; R51-L53 VanDerWaalsContact C-N 3.33Å; R51-D54 PolarHBondContact O-N 3.47Å; R51-E55 WeakPolarHBondContact O-CB 3.45Å; R51-E55 PolarHBondContact O-N 3.31Å
52L93.3Very high85.2Confident22 Ų2283.4 Ų83.412%0.11540%0.404CS..Hα-helixtrans-63.8-40.6175.8-64.8175.2000111.3A12 E13 I15 D49 Q50 F56A12-L52 HydrophobicContact CB-CD1 3.84Å; E13-L52 WeakPolarHBondContact O-CD2 3.12Å; I15-L52 HydrophobicContact CD1-CB 3.82Å; I15-L52 HydrophobicContact CG1-CB 4.01Å; D49-L52 HydrophobicContact CB-CD1 4.1Å; D49-L52 HydrophobicContact CB-CG 4.25Å; D49-L52 WeakPolarHBondContact O-CB 3.47Å; D49-L52 PolarHBondContact O-N 2.97Å; Q50-L52 PolarHBondContact O-N 3.46Å; L52-F56 VanDerWaalsContact O-CB 3.23Å; L52-F56 WeakPolarHBondContact O-CB 3.21Å; L52-F56 PolarHBondContact O-N 2.82Å; L52-F56 VanDerWaalsContact O-N 3.08Å
53L92.1Very high83.4Confident22 Ų2286.8 Ų86.812%0.11543%0.427CS..Hα-helixtrans-67.3-45.3176.6-65.3171.2000111.2I15 Y27 I47 Q50 R51 F56 H57I15-L53 HydrophobicContact CD1-CD2 3.69Å; I15-L53 HydrophobicContact CD1-CG 4.25Å; Y27-L53 HydrophobicContact CD1-CD2 4.47Å; Y27-L53 HydrophobicContact CD2-CD2 3.94Å; Y27-L53 HydrophobicContact CE1-CD2 3.98Å; Y27-L53 HydrophobicContact CE2-CD2 3.41Å; Y27-L53 VanDerWaalsContact CE2-CD2 3.41Å; Y27-L53 HydrophobicContact CG-CD2 4.43Å; Y27-L53 VanDerWaalsContact CZ-CD2 3.42Å; I47-L53 HydrophobicContact CB-CD1 4.49Å; I47-L53 HydrophobicContact CG2-CD1 4.2Å; I47-L53 HydrophobicContact CG2-CD2 4.15Å; I47-L53 HydrophobicContact CG2-CG 3.89Å; Q50-L53 WeakPolarHBondContact O-CB 3.45Å; Q50-L53 PolarHBondContact O-N 2.88Å; R51-L53 VanDerWaalsContact C-N 3.33Å; L53-F56 PolarHBondContact O-N 3.09Å; L53-H57 WeakPolarHBondContact O-CB 3.37Å; L53-H57 VanDerWaalsContact O-CG 3.28Å; L53-H57 PolarHBondContact O-N 2.94Å
54D91.9Very high81.4Confident94 Ų9494.3 Ų94.350%0.50346%0.458SS..Hα-helixtrans-62.5-45.2-179.9-72.5-26.1000112Q50 R51 F56 H57 S58Q50-D54 PolarHBondContact O-N 3.12Å; R51-D54 PolarHBondContact O-N 3.47Å; D54-F56 VanDerWaalsContact C-N 3.33Å; D54-F56 PolarHBondContact O-N 3.38Å; D54-H57 PolarHBondContact O-N 3.4Å; D54-S58 VanDerWaalsContact O-CB 3.23Å; D54-S58 WeakPolarHBondContact O-CB 3.43Å; D54-S58 PolarHBondContact O-N 2.75Å; D54-S58 PolarHBondContact O-OG 3.37Å
55E90.9Very high79.3Confident127 Ų12795.8 Ų95.859%0.59347%0.465SS*.Hα-helixtrans-63.3-41.5176.8-173.3165.3-87.300111.2R51 S58 S59R51-E55 WeakPolarHBondContact O-CB 3.45Å; R51-E55 PolarHBondContact O-N 3.31Å; E55-S58 PolarHBondContact O-N 3.33Å; E55-S59 WeakPolarHBondContact O-CB 3.37Å; E55-S59 PolarHBondContact O-N 2.79Å; E55-S59 PolarHBondContact O-OG 2.83Å
56F89.7Confident77.3Confident17 Ų1792.3 Ų92.38%0.07546%0.46CS..Hα-helixtrans-67.8-42.7176.8178.9-102.5000113.3I15 R18 Y27 L52 L53 D54 S58 S59 S60I15-F56 HydrophobicContact CB-CB 3.9Å; I15-F56 HydrophobicContact CB-CD2 4.04Å; I15-F56 HydrophobicContact CB-CG 3.98Å; I15-F56 HydrophobicContact CD1-CB 4.45Å; I15-F56 HydrophobicContact CG2-CB 4.03Å; I15-F56 HydrophobicContact CG2-CD1 4.01Å; I15-F56 HydrophobicContact CG2-CD2 3.54Å; I15-F56 HydrophobicContact CG2-CE1 4.48Å; I15-F56 HydrophobicContact CG2-CE2 4.01Å; I15-F56 HydrophobicContact CG2-CG 3.54Å; I15-F56 HydrophobicContact CG2-CZ 4.46Å; I15-F56 VanDerWaalsContact O-CD2 3.3Å; I15-F56 WeakPolarHBondContact O-CD2 3.47Å; R18-F56 HydrophobicContact CB-CE1 3.49Å; R18-F56 VanDerWaalsContact CB-CE1 3.49Å; R18-F56 HydrophobicContact CB-CZ 3.65Å; R18-F56 HydrophobicContact CG-CE1 4.45Å; Y27-F56 HydrophobicContact CD1-CD1 4.17Å; Y27-F56 HydrophobicContact CD1-CE1 4.19Å; Y27-F56 AromaticContact CE1-CD1 3.77Å; Y27-F56 HydrophobicContact CE1-CD1 3.77Å; Y27-F56 AromaticContact CE1-CE1 3.85Å; Y27-F56 HydrophobicContact CE1-CE1 3.85Å; L52-F56 VanDerWaalsContact O-CB 3.23Å; L52-F56 WeakPolarHBondContact O-CB 3.21Å; L52-F56 PolarHBondContact O-N 2.82Å; L52-F56 VanDerWaalsContact O-N 3.08Å; L53-F56 PolarHBondContact O-N 3.09Å; D54-F56 VanDerWaalsContact C-N 3.33Å; D54-F56 PolarHBondContact O-N 3.38Å; F56-S58 VanDerWaalsContact C-N 3.31Å; F56-S58 PolarHBondContact O-N 3.49Å; F56-S59 WeakPolarHBondContact CA-OG 3.18Å; F56-S59 PolarHBondContact O-OG 3.06Å; F56-S60 WeakPolarHBondContact CE2-OG 3.47Å; F56-S60 VanDerWaalsContact CZ-OG 3.25Å; F56-S60 WeakPolarHBondContact CZ-OG 3.49Å; F56-S60 VanDerWaalsContact O-CB 3.23Å; F56-S60 WeakPolarHBondContact O-CB 3.31Å; F56-S60 PolarHBondContact O-N 2.79Å; F56-S60 PolarHBondContact O-OG 3.4Å
57H88.1Confident75.4Confident66 Ų6695 Ų9531%0.30648%0.479SS..Hα-helixtrans-67.8-33.9177.1-71.3175.3000111.7Y27 L53 D54 K61Y27-H57 PolarHBondContact OH-NE2 2.91Å; Y27-H57 VanDerWaalsContact OH-NE2 3.16Å; L53-H57 WeakPolarHBondContact O-CB 3.37Å; L53-H57 VanDerWaalsContact O-CG 3.28Å; L53-H57 PolarHBondContact O-N 2.94Å; D54-H57 PolarHBondContact O-N 3.4Å; H57-K61 WeakPolarHBondContact O-CD 3.11Å; H57-K61 WeakPolarHBondContact O-CG 3.07Å; H57-K61 PolarHBondContact O-N 2.8Å
58S85.1Confident73.3Confident79 Ų7998.6 Ų98.655%0.55251%0.507SS*.Hα-helixtrans-69.3-43177.4-62.10000111.9D54 E55 F56D54-S58 VanDerWaalsContact O-CB 3.23Å; D54-S58 WeakPolarHBondContact O-CB 3.43Å; D54-S58 PolarHBondContact O-N 2.75Å; D54-S58 PolarHBondContact O-OG 3.37Å; E55-S58 PolarHBondContact O-N 3.33Å; F56-S58 VanDerWaalsContact C-N 3.31Å; F56-S58 PolarHBondContact O-N 3.49Å
59S78.2Confident70.9Confident64 Ų64100.9 Ų100.945%0.44851%0.506SS..Hα-helixtrans-71.3-4117754.80000112.9E55 F56 K61 R62E55-S59 WeakPolarHBondContact O-CB 3.37Å; E55-S59 PolarHBondContact O-N 2.79Å; E55-S59 PolarHBondContact O-OG 2.83Å; F56-S59 WeakPolarHBondContact CA-OG 3.18Å; F56-S59 PolarHBondContact O-OG 3.06Å; S59-K61 VanDerWaalsContact C-N 3.28Å; S59-K61 PolarHBondContact O-N 3.42Å; S59-R62 WeakPolarHBondContact O-CB 3.12Å; S59-R62 PolarHBondContact O-N 2.89Å
60S65.9Low68.4Low37 Ų37105.5 Ų105.526%0.25953%0.526SS..Hα-helixtrans-63.1-29-178.2-69.20000114.2F56 R62 S63 K64F56-S60 WeakPolarHBondContact CE2-OG 3.47Å; F56-S60 VanDerWaalsContact CZ-OG 3.25Å; F56-S60 WeakPolarHBondContact CZ-OG 3.49Å; F56-S60 VanDerWaalsContact O-CB 3.23Å; F56-S60 WeakPolarHBondContact O-CB 3.31Å; F56-S60 PolarHBondContact O-N 2.79Å; F56-S60 PolarHBondContact O-OG 3.4Å; S60-R62 PolarHBondContact O-N 2.73Å; S60-S63 PolarHBondContact O-N 2.83Å; S60-K64 PolarHBondContact O-N 2.95Å
61K57.1Low66.1Low158 Ų158107.3 Ų107.369%0.68754%0.539SS*.Hα-helixtrans-62.6-28.5175.6-74.2167.2-172.6165.90112.1H57 S59H57-K61 WeakPolarHBondContact O-CD 3.11Å; H57-K61 WeakPolarHBondContact O-CG 3.07Å; H57-K61 PolarHBondContact O-N 2.8Å; S59-K61 VanDerWaalsContact C-N 3.28Å; S59-K61 PolarHBondContact O-N 3.42Å
62R52.8Low63.6Low213 Ų213103.9 Ų103.980%0.80454%0.538SS*.Hα-helixtrans-78.8-36.6-179.5-160.8171.6-179.6-134-0.7112.2S59 S60 Q65S59-R62 WeakPolarHBondContact O-CB 3.12Å; S59-R62 PolarHBondContact O-N 2.89Å; S60-R62 PolarHBondContact O-N 2.73Å; R62-Q65 PolarHBondContact O-N 3.16Å
63S51.5Low60.9Low73 Ų73109.2 Ų109.251%0.5157%0.567SS.*Hα-helixtrans-73.3-27.3-179.1-43.60000113.4S60 Q65 A66 T67S60-S63 PolarHBondContact O-N 2.83Å; S63-Q65 PolarHBondContact O-N 2.94Å; S63-A66 PolarHBondContact O-N 2.89Å; S63-T67 PolarHBondContact O-N 3.18Å
64K47Very low58.4Low175 Ų175113.6 Ų113.676%0.76160%0.599SS**THydrogen-bonded Turntrans-66.6-17.1176.5-153.4146.1-178.1131.40113S60S60-K64 PolarHBondContact O-N 2.95Å
65Q43.8Very low55.6Low126 Ų126118 Ų11859%0.58962%0.617SS**THydrogen-bonded Turntrans-92.5-17173.6-155.3167.728.500113.2R62 S63R62-Q65 PolarHBondContact O-N 3.16Å; S63-Q65 PolarHBondContact O-N 2.94Å
66A46.7Very low52.8Low66 Ų66115.8 Ų115.855%0.54563%0.628SS.*THydrogen-bonded Turntrans-86.7-30-17700000113.6S63 S68 R69S63-A66 PolarHBondContact O-N 2.89Å; A66-S68 PolarHBondContact O-N 3.15Å; A66-R69 PolarHBondContact O-N 3.29Å
67T49.6Very low50Low124 Ų124123.5 Ų123.576%0.76166%0.664SS**THydrogen-bonded Turntrans-77.8-7.4176.9750000113.4S63S63-T67 PolarHBondContact O-N 3.18Å
68S47.8Very low47.2Very low101 Ų101125.9 Ų125.971%0.70668%0.684SS**THydrogen-bonded Turntrans-95.4-5.3174.6-174.90000113.3A66A66-S68 PolarHBondContact O-N 3.15Å
69R39.6Very low44.7Very low178 Ų178127.4 Ų127.467%0.67269%0.69SS**SBendtrans-134109.7179.7-68.2-176.8-171.11642.5110.6A66A66-R69 PolarHBondContact O-N 3.29Å
70Q39.6Very low42.6Very low150 Ų150132.2 Ų132.270%0.70171%0.705SS**  trans80.8107148.9-138.6170-74.700113.3V72Q70-V72 VanDerWaalsContact C-N 3.33Å; Q70-V72 HydrophobicContact CG-CB 4Å; Q70-V72 HydrophobicContact CG-CG1 3.59Å; Q70-V72 HydrophobicContact CG-CG2 3.72Å
71L45Very low41.5Very low180 Ų180140.6 Ų140.694%0.94274%0.737SS**  cis33.358.640.6-63.9-169.4000112.7
72V40.2Very low40.1Very low109 Ų109138.4 Ų138.466%0.66174%0.737SS**  trans-140.4131140.7-71.70000109.4Q70Q70-V72 VanDerWaalsContact C-N 3.33Å; Q70-V72 HydrophobicContact CG-CB 4Å; Q70-V72 HydrophobicContact CG-CG1 3.59Å; Q70-V72 HydrophobicContact CG-CG2 3.72Å
73D35.7Very low39Very low134 Ų134131.3 Ų131.372%0.71773%0.73SS**  trans-49.8140.4168.6-163.4-91.5000113.1
74S39.9Very low38.4Very low114 Ų114134.3 Ų134.380%0.79774%0.74SS**  trans178.3123136.8-76.10000110.3
75E34.6Very low37.7Very low187 Ų187133.1 Ų133.187%0.87474%0.742SS**  trans-59146.1171.6-57.2156.4117.600111
76G30.6Very low37.8Very low80 Ų80134.8 Ų134.883%0.82576%0.755SS**  trans-166.973.5-17500000112
77E30.8Very low37.6Very low179 Ų179135 Ų13584%0.83676%0.757SS**  trans-57.4149.2169.6-178150.667.500113
78T30.8Very low36.9Very low116 Ų116134.6 Ų134.671%0.71276%0.755SS**  trans19138.6161.361.90000121
79T30.8Very low37Very low111 Ų111136.1 Ų136.168%0.68176%0.76SS**  162.3139.5105.4-63.50000110.8
80E35.8Very low36.9Very low166 Ų166134.8 Ų134.878%0.77676%0.761SS**  trans-13.3141.2163.9-67.1156.396.200118.3
81K41.8Very low37Very low212 Ų212135.3 Ų135.392%0.92277%0.769SS**  trans-131.9104.5146.4-154.5179.9-175.9-173.90111.7
82T28.5Very low36.8Very low113 Ų113130 Ų13069%0.69376%0.758SS**  trans-56.5147162.7-59.30000114
83G29.1Very low36.8Very low63 Ų63133.2 Ų133.265%0.64977%0.765SS**  trans123.8145.7135.300000115.1
84N39.2Very low36.9Very low136 Ų136134.4 Ų134.473%0.72777%0.771SS**  cis-165145.9-2-87.1-20.4000106.3
85D32.6Very low36.6Very low150 Ų150132.1 Ų132.180%0.80277%0.765SS**  trans37.4120.5141.8-47.2-55.1000121.4
86D44.5Very low37.1Very low161 Ų161129.9 Ų129.986%0.86176%0.764SS**  -163130.7124.5-166.6-133.1000113.7
87A43.1Very low37.8Very low71 Ų71134.2 Ų134.259%0.58777%0.769SS**  trans50.4101.3150.900000122.5
88T34.2Very low38.7Very low115 Ų115129.2 Ų129.271%0.70676%0.757SS**  8.3116.8124.5-44.90000118.1
89T51.6Low39.6Very low133 Ų133128.6 Ų128.682%0.81676%0.764SS**  trans-146.699.6136.7-66.30000108.8
90E36.9Very low40.7Very low150 Ų150129 Ų12970%0.70177%0.766SS**  trans-40.1125.315255.2-156.470.100113.1
91N41.7Very low41.6Very low162 Ų162125.2 Ų125.287%0.86676%0.764SS**  trans-177.3128.2132.6-97.8-48.2000111.5
92G39.9Very low42.4Very low68 Ų68118.3 Ų118.370%0.70174%0.742SS**  trans90.481.8133.800000118.2
93Q40.8Very low44.2Very low176 Ų176117.5 Ų117.582%0.82274%0.739SS**  71.399.1116.5-151.1152-49.200119.1
94L38.1Very low45.8Very low160 Ų160118.4 Ų118.484%0.83873%0.733SS**  trans59.890.1132-59.5171.9000117.5
95G33.1Very low47Very low66 Ų66112.4 Ų112.468%0.6870%0.701SS**  6982.7113.200000116.6
96V45.5Very low48.2Very low140 Ų140107.9 Ų107.985%0.84868%0.68SS**  trans-113.289.6139.9-66.90000107.5A98V96-A98 PolarHBondContact O-N 2.92Å
97D46.2Very low49Very low171 Ų171106 Ų10691%0.91467%0.669SS**  trans-61.585.9159.8-70.1-56.4000108
98A49.3Very low49.2Very low73 Ų73105.3 Ų105.360%0.60366%0.655SS**  trans-157.878.116000000105.4V96 V100V96-A98 PolarHBondContact O-N 2.92Å; A98-V100 PolarHBondContact O-N 2.8Å
99A49.9Very low49.8Very low103 Ų103102.8 Ų102.885%0.85164%0.642SS**  trans-52.190.4143.500000105.1A101A99-A101 PolarHBondContact O-N 2.84Å
100V52.1Low49.5Very low119 Ų119101 Ų10172%0.72163%0.633SS**  trans-6591.6164.371.60000101.8A98 S102A98-V100 PolarHBondContact O-N 2.8Å; V100-S102 PolarHBondContact O-N 2.7Å
101A56.5Low50Low88 Ų8897.7 Ų97.773%0.72762%0.617SS**  trans-56.796.3161.500000102.8A99 P103A99-A101 PolarHBondContact O-N 2.84Å; A101-P103 VanDerWaalsContact O-N 3.17Å
102S58.5Low50.6Low66 Ų6693.3 Ų93.346%0.46260%0.597SS.*PPolyproline II helixtrans-47.2129.1168.3-71.70000104.7Y34 V100Y34-S102 WeakPolarHBondContact CE1-O 3.43Å; Y34-S102 WeakPolarHBondContact OH-CB 3.22Å; Y34-S102 PolarHBondContact OH-O 2.73Å; V100-S102 PolarHBondContact O-N 2.7Å
103P64.8Low51.1Low97 Ų9794 Ų9463%0.6360%0.595SS**PPolyproline II helixtrans-49.4136.7-176.319.4-31.5000108.3Y34 A101Y34-P103 PolarHBondContact OH-O 2.77Å; A101-P103 VanDerWaalsContact O-N 3.17Å
104P63Low51.5Low82 Ų8288.9 Ų88.953%0.53258%0.583SS.*PPolyproline II helixtrans-47.9135.717522.2-32.6000107.6Y34 P106Y34-P104 VanDerWaalsContact CE1-CA 3.46Å; Y34-P104 HydrophobicContact CE1-CB 4.43Å; P104-P106 VanDerWaalsContact O-N 3.17Å
105P64.3Low52.6Low9 Ų986.3 Ų86.36%0.05857%0.567CS.*PPolyproline II helixtrans-50.1133178.920.7-30.1000107Y10 W31 I107Y10-P105 HydrophobicContact CD1-CB 4.29Å; Y10-P105 HydrophobicContact CD2-CB 4.15Å; Y10-P105 HydrophobicContact CE2-CB 4.49Å; Y10-P105 HydrophobicContact CG-CB 4.06Å; W31-P105 HydrophobicContact CB-CG 4.22Å; W31-P105 VanDerWaalsContact CD1-CG 3.43Å; W31-P105 HydrophobicContact CD2-CB 4.32Å; W31-P105 HydrophobicContact CD2-CG 3.79Å; W31-P105 HydrophobicContact CG-CG 3.57Å; P105-I107 PolarHBondContact O-N 2.79Å; P105-I107 VanDerWaalsContact O-N 3.15Å
106P58.6Low53.8Low55 Ų5585.3 Ų85.336%0.35755%0.545SS..PPolyproline II helixtrans-52.5131.6174.323-30.3000106.3Y10 P104 L108Y10-P106 HydrophobicContact CE2-CG 3.91Å; Y10-P106 WeakPolarHBondContact OH-CD 3.37Å; Y10-P106 WeakPolarHBondContact OH-CG 3.29Å; P104-P106 VanDerWaalsContact O-N 3.17Å; P106-L108 HydrophobicContact CG-CD2 4.12Å; P106-L108 HydrophobicContact CG-CG 4.17Å; P106-L108 PolarHBondContact O-N 3.22Å
107I61.5Low54.2Low122 Ų12282.9 Ų82.963%0.62653%0.527SS*.  trans-57.598.7168.7-57.1169.2000104P105 S109 P110P105-I107 PolarHBondContact O-N 2.79Å; P105-I107 VanDerWaalsContact O-N 3.15Å; I107-S109 PolarHBondContact O-N 2.9Å; I107-P110 VanDerWaalsContact O-CD 3.29Å; I107-P110 WeakPolarHBondContact O-CD 3.22Å
108L47.4Very low55Low56 Ų5683 Ų8329%0.29351%0.514SS..SBendtrans-79.556.2-176.8-77.5174000108.7Y10 P106Y10-L108 HydrophobicContact CE2-CD1 4.37Å; P106-L108 HydrophobicContact CG-CD2 4.12Å; P106-L108 HydrophobicContact CG-CG 4.17Å; P106-L108 PolarHBondContact O-N 3.22Å
109S46.4Very low55.5Low62 Ų6283.6 Ų83.643%0.43450%0.504SS..  trans177.575.8155.6-78.70000106.3I107 H111I107-S109 PolarHBondContact O-N 2.9Å; S109-H111 PolarHBondContact O-N 3.42Å
110P44Very low55.7Low96 Ų9682.3 Ų82.362%0.62348%0.483SS*.  trans-73.783.2156.532.7-22.2000104.1I107 T112I107-P110 VanDerWaalsContact O-CD 3.29Å; I107-P110 WeakPolarHBondContact O-CD 3.22Å; P110-T112 VanDerWaalsContact C-N 3.32Å; P110-T112 PolarHBondContact O-N 3.27Å
111H48.8Very low55.7Low80 Ų8081.4 Ų81.437%0.3747%0.471SS..  trans-53.2115.6145.749.4-108.4000104.3S109 A113 E116S109-H111 PolarHBondContact O-N 3.42Å; H111-A113 PolarHBondContact O-N 3.37Å; H111-E116 HydrophobicContact CB-CB 4.37Å; H111-E116 HydrophobicContact CB-CG 3.28Å; H111-E116 WeakPolarHBondContact CD2-CG 3.44Å; H111-E116 IonicContact CD2-OE1 3.27Å; H111-E116 PolarHBondContact CD2-OE1 3.21Å; H111-E116 VanDerWaalsContact CD2-OE1 3.27Å; H111-E116 IonicContact CD2-OE2 3.37Å; H111-E116 PolarHBondContact CD2-OE2 3.06Å; H111-E116 IonicContact CE1-OE1 3.14Å; H111-E116 PolarHBondContact CE1-OE1 3.06Å; H111-E116 VanDerWaalsContact CE1-OE1 3.22Å; H111-E116 VanDerWaalsContact CG-CD 3.42Å; H111-E116 IonicContact CG-OE1 2.73Å; H111-E116 IonicContact ND1-OE1 2.7Å; H111-E116 IonicContact NE2-OE1 3.06Å; H111-E116 PolarHBondContact NE2-OE1 3.49Å; H111-E116 IonicContact NE2-OE2 3.42Å; H111-E116 PolarHBondContact NE2-OE2 3.4Å
112T53.9Low55.7Low71 Ų7184.7 Ų84.744%0.43647%0.471SS..  trans-56.8148.1162.9510000106.6P110 A114 E115 E116P110-T112 VanDerWaalsContact C-N 3.32Å; P110-T112 PolarHBondContact O-N 3.27Å; T112-A114 CarbonylContact O-C 3.57Å; T112-A114 PolarHBondContact O-N 2.98Å; T112-E115 PolarHBondContact N-OE2 2.94Å; T112-E115 CarbonylContact O-C 3.52Å; T112-E115 WeakPolarHBondContact O-CA 3.5Å; T112-E115 PolarHBondContact O-N 3.03Å; T112-E115 VanDerWaalsContact OG1-CB 3.22Å; T112-E115 WeakPolarHBondContact OG1-CB 3.33Å; T112-E115 VanDerWaalsContact OG1-CD 3.22Å; T112-E115 WeakPolarHBondContact OG1-CG 3.41Å; T112-E115 PolarHBondContact OG1-N 3.49Å; T112-E115 PolarHBondContact OG1-OE2 3.27Å; T112-E116 PolarHBondContact O-N 3.06Å
113A49.8Very low55.4Low81 Ų8183.8 Ų83.867%0.66946%0.461SS*.Hα-helixtrans-52.6-27.5174.600000111.7H111 L117H111-A113 PolarHBondContact O-N 3.37Å; A113-L117 WeakPolarHBondContact O-CB 2.88Å; A113-L117 PolarHBondContact O-N 3.31Å
114A50.5Low54.5Low70 Ų7082.5 Ų82.558%0.57945%0.454SS*.Hα-helixtrans-71.8-40.5171.600000113.8T112 L117 R118T112-A114 CarbonylContact O-C 3.57Å; T112-A114 PolarHBondContact O-N 2.98Å; A114-L117 PolarHBondContact O-N 2.73Å; A114-R118 WeakPolarHBondContact O-CB 3.46Å; A114-R118 PolarHBondContact O-N 2.93Å
115E59.9Low54Low106 Ų10680.9 Ų80.950%0.49545%0.453SS..Hα-helixtrans-71.6-34.7170.7-75.6161.3152.800112T112 L117 R118 E119T112-E115 PolarHBondContact N-OE2 2.94Å; T112-E115 CarbonylContact O-C 3.52Å; T112-E115 WeakPolarHBondContact O-CA 3.5Å; T112-E115 PolarHBondContact O-N 3.03Å; T112-E115 VanDerWaalsContact OG1-CB 3.22Å; T112-E115 WeakPolarHBondContact OG1-CB 3.33Å; T112-E115 VanDerWaalsContact OG1-CD 3.22Å; T112-E115 WeakPolarHBondContact OG1-CG 3.41Å; T112-E115 PolarHBondContact OG1-N 3.49Å; T112-E115 PolarHBondContact OG1-OE2 3.27Å; E115-L117 VanDerWaalsContact C-N 3.31Å; E115-R118 PolarHBondContact O-N 3.46Å; E115-E119 WeakPolarHBondContact O-CA 3.23Å; E115-E119 WeakPolarHBondContact O-CB 3.23Å; E115-E119 PolarHBondContact O-N 3.49Å
116E58.6Low53.3Low44 Ų4482.4 Ų82.421%0.20646%0.459CS..Hα-helixtrans-59.1-48.1167-75.6-156.2115.100110.4R21 H111 T112 R118 E119 L120R21-E116 IonicContact CZ-OE1 3.25Å; R21-E116 VanDerWaalsContact CZ-OE1 3.25Å; R21-E116 IonicContact NH1-OE1 2.79Å; R21-E116 PolarHBondContact NH1-OE1 2.91Å; R21-E116 IonicContact NH2-OE1 2.75Å; R21-E116 PolarHBondContact NH2-OE1 2.76Å; H111-E116 HydrophobicContact CB-CB 4.37Å; H111-E116 HydrophobicContact CB-CG 3.28Å; H111-E116 WeakPolarHBondContact CD2-CG 3.44Å; H111-E116 IonicContact CD2-OE1 3.27Å; H111-E116 PolarHBondContact CD2-OE1 3.21Å; H111-E116 VanDerWaalsContact CD2-OE1 3.27Å; H111-E116 IonicContact CD2-OE2 3.37Å; H111-E116 PolarHBondContact CD2-OE2 3.06Å; H111-E116 IonicContact CE1-OE1 3.14Å; H111-E116 PolarHBondContact CE1-OE1 3.06Å; H111-E116 VanDerWaalsContact CE1-OE1 3.22Å; H111-E116 VanDerWaalsContact CG-CD 3.42Å; H111-E116 IonicContact CG-OE1 2.73Å; H111-E116 IonicContact ND1-OE1 2.7Å; H111-E116 IonicContact NE2-OE1 3.06Å; H111-E116 PolarHBondContact NE2-OE1 3.49Å; H111-E116 IonicContact NE2-OE2 3.42Å; H111-E116 PolarHBondContact NE2-OE2 3.4Å; T112-E116 PolarHBondContact O-N 3.06Å; E116-R118 VanDerWaalsContact C-N 3.31Å; E116-R118 PolarHBondContact O-N 3.32Å; E116-E119 CarbonylContact O-C 3.47Å; E116-E119 PolarHBondContact O-N 3.37Å; E116-L120 HydrophobicContact CB-CD1 4.43Å; E116-L120 WeakPolarHBondContact O-CA 3.31Å; E116-L120 WeakPolarHBondContact O-CB 3.39Å; E116-L120 WeakPolarHBondContact O-CD1 3.29Å; E116-L120 WeakPolarHBondContact O-CG 3.48Å; E116-L120 PolarHBondContact O-N 3.25Å
117L54.3Low53.1Low90 Ų9088.7 Ų88.747%0.47148%0.476SS..Hα-helixtrans-64.3-42.9-178.2-174.463.5000109.9A113 A114 E115 L120 Q121A113-L117 WeakPolarHBondContact O-CB 2.88Å; A113-L117 PolarHBondContact O-N 3.31Å; A114-L117 PolarHBondContact O-N 2.73Å; E115-L117 VanDerWaalsContact C-N 3.31Å; L117-L120 PolarHBondContact O-N 3.48Å; L117-Q121 HydrophobicContact CD1-CG 4.5Å; L117-Q121 HydrophobicContact CG-CG 4.46Å; L117-Q121 WeakPolarHBondContact O-CB 3.33Å; L117-Q121 WeakPolarHBondContact O-CG 3.27Å; L117-Q121 PolarHBondContact O-N 2.95Å
118R63.1Low52.7Low174 Ų17487.4 Ų87.466%0.65747%0.473SS*.Hα-helixtrans-66.1-41.2177.3-168.6173.5-179.1151.11111.8A114 E115 E116 Q121 E122A114-R118 WeakPolarHBondContact O-CB 3.46Å; A114-R118 PolarHBondContact O-N 2.93Å; E115-R118 PolarHBondContact O-N 3.46Å; E116-R118 VanDerWaalsContact C-N 3.31Å; E116-R118 PolarHBondContact O-N 3.32Å; R118-Q121 PolarHBondContact O-N 3.02Å; R118-E122 VanDerWaalsContact O-CB 3.23Å; R118-E122 WeakPolarHBondContact O-CB 3.41Å; R118-E122 PolarHBondContact O-N 3.38Å
119E60.6Low53Low84 Ų8488.3 Ų88.339%0.39348%0.478SS..Hα-helixtrans-71.1-37176.5-162.3-153.7167.300110.7R21 K22 E115 E116 E122 L123R21-E119 IonicContact NH2-OE2 3.22Å; K22-E119 WeakPolarHBondContact CD-OE1 3.41Å; K22-E119 IonicContact NZ-OE1 3.53Å; K22-E119 PolarHBondContact NZ-OE1 3.44Å; K22-E119 IonicContact NZ-OE2 2.77Å; K22-E119 PolarHBondContact NZ-OE2 3.49Å; E115-E119 WeakPolarHBondContact O-CA 3.23Å; E115-E119 WeakPolarHBondContact O-CB 3.23Å; E115-E119 PolarHBondContact O-N 3.49Å; E116-E119 CarbonylContact O-C 3.47Å; E116-E119 PolarHBondContact O-N 3.37Å; E119-E122 PolarHBondContact O-N 3.41Å; E119-L123 HydrophobicContact CG-CD1 4.14Å; E119-L123 VanDerWaalsContact O-CB 3.25Å; E119-L123 WeakPolarHBondContact O-CB 3.46Å; E119-L123 WeakPolarHBondContact O-CD1 3.47Å; E119-L123 PolarHBondContact O-N 3.41Å
120L52.6Low53.4Low76 Ų7685.9 Ų85.940%0.39846%0.46SS..Hα-helixtrans-66.3-40.1171.5-74.9168.9000110.9E116 L117 L123 S124E116-L120 HydrophobicContact CB-CD1 4.43Å; E116-L120 WeakPolarHBondContact O-CA 3.31Å; E116-L120 WeakPolarHBondContact O-CB 3.39Å; E116-L120 WeakPolarHBondContact O-CD1 3.29Å; E116-L120 WeakPolarHBondContact O-CG 3.48Å; E116-L120 PolarHBondContact O-N 3.25Å; L117-L120 PolarHBondContact O-N 3.48Å; L120-L123 CarbonylContact O-C 3.58Å; L120-S124 PolarHBondContact O-N 2.94Å; L120-S124 VanDerWaalsContact O-N 3.11Å
121Q51.8Low54Low101 Ų10186.8 Ų86.847%0.47246%0.456SS..Hα-helixtrans-66.9-39.4174.5-78.4172-19.300111.4L117 R118 S124L117-Q121 HydrophobicContact CD1-CG 4.5Å; L117-Q121 HydrophobicContact CG-CG 4.46Å; L117-Q121 WeakPolarHBondContact O-CB 3.33Å; L117-Q121 WeakPolarHBondContact O-CG 3.27Å; L117-Q121 PolarHBondContact O-N 2.95Å; R118-Q121 PolarHBondContact O-N 3.02Å; Q121-S124 WeakPolarHBondContact O-CB 3.3Å; Q121-S124 PolarHBondContact O-N 2.8Å; Q121-S124 VanDerWaalsContact O-N 3.12Å; Q121-S124 PolarHBondContact O-OG 3.3Å
122E57.9Low54.5Low157 Ų15788.9 Ų88.973%0.73447%0.466SS*.Hα-helixtrans-75.4-30.8178.6-162.1143.6-152.500111.5R118 E119 S124R118-E122 VanDerWaalsContact O-CB 3.23Å; R118-E122 WeakPolarHBondContact O-CB 3.41Å; R118-E122 PolarHBondContact O-N 3.38Å; E119-E122 PolarHBondContact O-N 3.41Å; E122-S124 PolarHBondContact O-N 2.95Å
123L51Low54.8Low47 Ų4787.1 Ų87.125%0.24645%0.454CS..G310 helixtrans-72.1-7.3165.4-89.6138.2000114.6K22 E119 L120 G125 M126K22-L123 HydrophobicContact CB-CD1 3.79Å; K22-L123 HydrophobicContact CB-CD2 3.87Å; K22-L123 HydrophobicContact CD-CD1 3.11Å; K22-L123 HydrophobicContact CD-CG 4.44Å; K22-L123 HydrophobicContact CG-CD1 3.33Å; K22-L123 HydrophobicContact CG-CD2 3.99Å; K22-L123 HydrophobicContact CG-CG 4.28Å; E119-L123 HydrophobicContact CG-CD1 4.14Å; E119-L123 VanDerWaalsContact O-CB 3.25Å; E119-L123 WeakPolarHBondContact O-CB 3.46Å; E119-L123 WeakPolarHBondContact O-CD1 3.47Å; E119-L123 PolarHBondContact O-N 3.41Å; L120-L123 CarbonylContact O-C 3.58Å; L123-G125 CarbonylContact O-C 3.35Å; L123-G125 WeakPolarHBondContact O-CA 3.23Å; L123-G125 PolarHBondContact O-N 3.28Å; L123-M126 VanDerWaalsContact O-CG 3.24Å; L123-M126 WeakPolarHBondContact O-CG 3.25Å; L123-M126 PolarHBondContact O-N 3.05Å
124S46.5Very low55.2Low69 Ų6989.4 Ų89.448%0.48345%0.452SS..G310 helixtrans-64.86.8176.178.20000114.9L120 Q121 E122 M126L120-S124 PolarHBondContact O-N 2.94Å; L120-S124 VanDerWaalsContact O-N 3.11Å; Q121-S124 WeakPolarHBondContact O-CB 3.3Å; Q121-S124 PolarHBondContact O-N 2.8Å; Q121-S124 VanDerWaalsContact O-N 3.12Å; Q121-S124 PolarHBondContact O-OG 3.3Å; E122-S124 PolarHBondContact O-N 2.95Å; S124-M126 PolarHBondContact O-N 3.08Å
125G51.6Low55.5Low49 Ų4994.8 Ų94.851%0.50546%0.459SS..G310 helixtrans-45.8-6.7138.100000114.8L123 R127 V128L123-G125 CarbonylContact O-C 3.35Å; L123-G125 WeakPolarHBondContact O-CA 3.23Å; L123-G125 PolarHBondContact O-N 3.28Å; G125-R127 PolarHBondContact O-N 2.86Å; G125-V128 PolarHBondContact O-N 3.26Å
126M50.4Low55.4Low41 Ų4194.9 Ų94.920%0.20246%0.459CS..Hα-helixtrans-40.7-24166.1-80.5153.775.600115.1L123 S124 V128 I129 N130 T152L123-M126 VanDerWaalsContact O-CG 3.24Å; L123-M126 WeakPolarHBondContact O-CG 3.25Å; L123-M126 PolarHBondContact O-N 3.05Å; S124-M126 PolarHBondContact O-N 3.08Å; M126-V128 PolarHBondContact O-N 3.03Å; M126-I129 PolarHBondContact O-N 2.68Å; M126-N130 VanDerWaalsContact O-CB 3.29Å; M126-N130 WeakPolarHBondContact O-CB 3.47Å; M126-N130 PolarHBondContact O-N 2.98Å; M126-N130 PolarHBondContact O-OD1 2.92Å; M126-N130 VanDerWaalsContact O-OD1 3.13Å; M126-T152 HydrophobicContact CE-CG2 4.48Å; M126-T152 WeakPolarHBondContact CE-OG1 3.34Å
127R53.9Low55.6Low186 Ų186101.3 Ų101.370%0.70248%0.481SS*.Hα-helixtrans-55.2-42.3171.9-60.3-167.3-159.7-75.8-1.9111.7G125 E131G125-R127 PolarHBondContact O-N 2.86Å; R127-E131 WeakPolarHBondContact O-CB 3.45Å; R127-E131 PolarHBondContact O-N 2.99Å
128V54.4Low56.4Low95 Ų9598 Ų9858%0.57646%0.464SS*.Hα-helixtrans-70-39.3179-1790000111G125 M126 E131 Q132G125-V128 PolarHBondContact O-N 3.26Å; M126-V128 PolarHBondContact O-N 3.03Å; V128-E131 PolarHBondContact O-N 3.2Å; V128-Q132 WeakPolarHBondContact O-CB 3.29Å; V128-Q132 PolarHBondContact O-N 2.74Å
129I52.4Low56.9Low75 Ų7594.7 Ų94.739%0.38545%0.452SS..Hα-helixtrans-67.7-42177.9-58.1174.5000110.5M126 E131 Q132 L133M126-I129 PolarHBondContact O-N 2.68Å; I129-E131 VanDerWaalsContact C-N 3.34Å; I129-E131 PolarHBondContact O-N 3.14Å; I129-Q132 PolarHBondContact O-N 2.98Å; I129-L133 HydrophobicContact CG2-CD1 3.77Å; I129-L133 HydrophobicContact CG2-CG 4.21Å; I129-L133 WeakPolarHBondContact O-CB 3.47Å; I129-L133 VanDerWaalsContact O-CG 3.29Å; I129-L133 WeakPolarHBondContact O-CG 3.38Å; I129-L133 PolarHBondContact O-N 3.16Å
130N56.1Low57.5Low11 Ų1193.4 Ų93.46%0.05945%0.45CS..Hα-helixtrans-59.2-47.6176.2-68.5-1.6000110M126 Q132 L133 M134 V141 E143 T152M126-N130 VanDerWaalsContact O-CB 3.29Å; M126-N130 WeakPolarHBondContact O-CB 3.47Å; M126-N130 PolarHBondContact O-N 2.98Å; M126-N130 PolarHBondContact O-OD1 2.92Å; M126-N130 VanDerWaalsContact O-OD1 3.13Å; N130-Q132 PolarHBondContact O-N 3.31Å; N130-L133 PolarHBondContact O-N 2.87Å; N130-M134 WeakPolarHBondContact O-CG 3.49Å; N130-M134 PolarHBondContact O-N 3.15Å; N130-V141 HydrophobicContact CB-CG1 3.91Å; N130-V141 VanDerWaalsContact CG-CG1 3.49Å; N130-V141 WeakPolarHBondContact OD1-CG1 3.41Å; N130-E143 PolarHBondContact ND2-OE1 2.86Å; N130-T152 WeakPolarHBondContact ND2-CG2 3.33Å; N130-T152 PolarHBondContact ND2-OG1 3.45Å; N130-T152 WeakPolarHBondContact OD1-CG2 3.44Å
131E56.9Low58.7Low115 Ų11590.9 Ų90.954%0.53744%0.437SS..Hα-helixtrans-59.9-45.4176.6-165172.4-166.300111.4R127 V128 I129 L133 M134 Y135R127-E131 WeakPolarHBondContact O-CB 3.45Å; R127-E131 PolarHBondContact O-N 2.99Å; V128-E131 PolarHBondContact O-N 3.2Å; I129-E131 VanDerWaalsContact C-N 3.34Å; I129-E131 PolarHBondContact O-N 3.14Å; E131-L133 PolarHBondContact O-N 2.9Å; E131-M134 PolarHBondContact O-N 2.87Å; E131-Y135 HydrophobicContact CG-CE2 4.01Å; E131-Y135 WeakPolarHBondContact O-CD2 3.47Å; E131-Y135 VanDerWaalsContact O-CE2 3.27Å; E131-Y135 WeakPolarHBondContact O-CE2 3.49Å
132Q57.9Low59.8Low125 Ų12588.9 Ų88.958%0.58443%0.432SS*.Hα-helixtrans-66.7-38178.2-166.4164.3-0.800113.2V128 I129 N130 Y135 H136V128-Q132 WeakPolarHBondContact O-CB 3.29Å; V128-Q132 PolarHBondContact O-N 2.74Å; I129-Q132 PolarHBondContact O-N 2.98Å; N130-Q132 PolarHBondContact O-N 3.31Å; Q132-Y135 PolarHBondContact O-N 2.99Å; Q132-H136 PolarHBondContact O-CD2 3.49Å
133L60.1Low60.7Low33 Ų3386.5 Ų86.517%0.17342%0.421CS..Hα-helixtrans-69.7-34.8176.3-73.5170.4000112.3I129 N130 E131 Y135 H136 W139 V141 V154I129-L133 HydrophobicContact CG2-CD1 3.77Å; I129-L133 HydrophobicContact CG2-CG 4.21Å; I129-L133 WeakPolarHBondContact O-CB 3.47Å; I129-L133 VanDerWaalsContact O-CG 3.29Å; I129-L133 WeakPolarHBondContact O-CG 3.38Å; I129-L133 PolarHBondContact O-N 3.16Å; N130-L133 PolarHBondContact O-N 2.87Å; E131-L133 PolarHBondContact O-N 2.9Å; L133-Y135 PolarHBondContact O-N 2.73Å; L133-H136 PolarHBondContact O-N 3.12Å; L133-W139 HydrophobicContact CB-CB 4.41Å; L133-W139 HydrophobicContact CD2-CD2 4.29Å; L133-W139 HydrophobicContact CD2-CG 4.14Å; L133-V141 HydrophobicContact CB-CG2 3.8Å; L133-V141 HydrophobicContact CD1-CG2 4.22Å; L133-V154 HydrophobicContact CD1-CB 4.39Å; L133-V154 HydrophobicContact CD1-CG1 3.67Å; L133-V154 HydrophobicContact CD1-CG2 3.78Å
134M58.1Low61.7Low130 Ų13087 Ų8764%0.6443%0.426SS*.Hα-helixtrans-57.3-29.8174.7-66.4-130.8177.300112.4N130 E131 H136N130-M134 WeakPolarHBondContact O-CG 3.49Å; N130-M134 PolarHBondContact O-N 3.15Å; E131-M134 PolarHBondContact O-N 2.87Å; M134-H136 VanDerWaalsContact C-N 3.29Å; M134-H136 PolarHBondContact O-N 2.88Å
135Y58.4Low63.1Low182 Ų18287.8 Ų87.871%0.71443%0.431SS*.THydrogen-bonded Turntrans-76.3-14.6177.6-65-64.4000114E131 Q132 L133E131-Y135 HydrophobicContact CG-CE2 4.01Å; E131-Y135 WeakPolarHBondContact O-CD2 3.47Å; E131-Y135 VanDerWaalsContact O-CE2 3.27Å; E131-Y135 WeakPolarHBondContact O-CE2 3.49Å; Q132-Y135 PolarHBondContact O-N 2.99Å; L133-Y135 PolarHBondContact O-N 2.73Å
136H56Low64Low108 Ų10889 Ų8950%0.543%0.429SS..SBendtrans-89.8111.9172.8-72.4-84.3000109.3Q132 L133 M134 N138 W139Q132-H136 PolarHBondContact O-CD2 3.49Å; L133-H136 PolarHBondContact O-N 3.12Å; M134-H136 VanDerWaalsContact C-N 3.29Å; M134-H136 PolarHBondContact O-N 2.88Å; H136-N138 PolarHBondContact O-N 2.78Å; H136-W139 VanDerWaalsContact CB-CD1 3.4Å; H136-W139 HydrophobicContact CB-CG 4.44Å; H136-W139 PolarHBondContact O-N 2.68Å
137R63.9Low65.4Low179 Ų17995 Ų9568%0.67546%0.462SS*.THydrogen-bonded Turntrans-50-8.6-169-169169.6165.4-173.1-8.5117.6V160 C162R137-V160 HydrophobicContact CG-CG1 4.09Å; R137-V160 WeakPolarHBondContact O-CB 3.15Å; R137-V160 WeakPolarHBondContact O-CG1 3.19Å; R137-C162 PolarHBondContact NH2-O 2.85Å
138N70.1Confident66.5Low21 Ų2189.6 Ų89.611%0.11246%0.464CS..THydrogen-bonded Turntrans-1288.9-175.6-6767.8000114H136 Y156 D157 V160 S161H136-N138 PolarHBondContact O-N 2.78Å; N138-Y156 HydrophobicContact CB-CD2 4.1Å; N138-Y156 HydrophobicContact CB-CE1 3.9Å; N138-Y156 HydrophobicContact CB-CE2 3.42Å; N138-Y156 VanDerWaalsContact CB-CE2 3.42Å; N138-Y156 WeakPolarHBondContact CB-OH 3.42Å; N138-Y156 PolarHBondContact ND2-OH 2.82Å; N138-Y156 CarbonylContact O-C 3.59Å; N138-Y156 WeakPolarHBondContact O-CA 3.42Å; N138-Y156 WeakPolarHBondContact O-CD2 3.48Å; N138-D157 PolarHBondContact ND2-O 2.97Å; N138-D157 PolarHBondContact O-N 3.17Å; N138-V160 PolarHBondContact ND2-O 2.74Å; N138-V160 PolarHBondContact OD1-O 2.77Å; N138-S161 PolarHBondContact ND2-OG 2.84Å
139W74.1Confident67.3Low104 Ų10487.7 Ų87.739%0.39445%0.454SS..EExtended strand (participates in β ladder)trans-102.3126.5173.4-64.890.9000110.2L133 H136 V154 E155 Y156L133-W139 HydrophobicContact CB-CB 4.41Å; L133-W139 HydrophobicContact CD2-CD2 4.29Å; L133-W139 HydrophobicContact CD2-CG 4.14Å; H136-W139 VanDerWaalsContact CB-CD1 3.4Å; H136-W139 HydrophobicContact CB-CG 4.44Å; H136-W139 PolarHBondContact O-N 2.68Å; W139-V154 HydrophobicContact CD2-CG1 4.48Å; W139-V154 HydrophobicContact CE3-CG1 3.64Å; W139-V154 HydrophobicContact CZ3-CG1 4.12Å; W139-E155 CarbonylContact C-O 3.51Å; W139-E155 WeakPolarHBondContact CA-O 3.21Å; W139-Y156 AromaticContact CD2-CD2 3.78Å; W139-Y156 HydrophobicContact CD2-CD2 3.78Å; W139-Y156 AromaticContact CE2-CD2 3.6Å; W139-Y156 HydrophobicContact CE3-CD2 4.04Å; W139-Y156 HydrophobicContact CG-CD2 4.33Å; W139-Y156 HydrophobicContact CH2-CD2 4.06Å; W139-Y156 AromaticContact CZ2-CD2 3.77Å; W139-Y156 HydrophobicContact CZ2-CD2 3.77Å; W139-Y156 HydrophobicContact CZ2-CE2 4.37Å; W139-Y156 HydrophobicContact CZ3-CD2 4.17Å; W139-Y156 AromaticContact NE1-CD2 3.99Å
140V74.3Confident68.3Low58 Ų5888.3 Ų88.335%0.35246%0.462SS..EExtended strand (participates in β ladder)trans-101.6124.6171.3177.20000107.7E155 D157V140-E155 PolarHBondContact N-O 3.27Å; V140-E155 PolarHBondContact O-N 3.01Å; V140-D157 HydrophobicContact CG2-CB 3.59Å
141V76.3Confident69.2Low22 Ų2290.8 Ų90.813%0.13348%0.477CS..EExtended strand (participates in β ladder)trans-113.5118.3178.1-176.90000108.2N130 L133 T152 F153 V154N130-V141 HydrophobicContact CB-CG1 3.91Å; N130-V141 VanDerWaalsContact CG-CG1 3.49Å; N130-V141 WeakPolarHBondContact OD1-CG1 3.41Å; L133-V141 HydrophobicContact CB-CG2 3.8Å; L133-V141 HydrophobicContact CD1-CG2 4.22Å; V141-T152 HydrophobicContact CG1-CG2 3.27Å; V141-F153 CarbonylContact C-O 3.56Å; V141-F153 WeakPolarHBondContact CA-O 3.34Å; V141-V154 HydrophobicContact CG1-CG2 4.36Å; V141-V154 HydrophobicContact CG2-CG2 4.28Å
142T75.5Confident69.7Low59 Ų5986.4 Ų86.436%0.36246%0.458SS..EExtended strand (participates in β ladder)trans-117.3123.2-176.8-55.40000110.2V144 T152 F153T142-V144 HydrophobicContact CG2-CG2 4.24Å; T142-T152 CarbonylContact O-C 3.58Å; T142-T152 WeakPolarHBondContact O-CA 3.38Å; T142-F153 PolarHBondContact N-O 3.01Å; T142-F153 PolarHBondContact O-N 2.94Å
143E77Confident70.5Confident107 Ų10785.2 Ų85.250%0.545%0.451SS..EExtended strand (participates in β ladder)trans-99.7125.5175-65.4-175.6122.400110.7N130 V150 V151 T152N130-E143 PolarHBondContact ND2-OE1 2.86Å; E143-V150 HydrophobicContact CB-CG1 3.96Å; E143-V150 HydrophobicContact CG-CG1 4.31Å; E143-V151 CarbonylContact C-O 3.58Å; E143-V151 WeakPolarHBondContact CA-O 3.46Å; E143-T152 HydrophobicContact CG-CG2 4.05Å
144V72.5Confident71Confident59 Ų5986.8 Ų86.836%0.35846%0.462SS..EExtended strand (participates in β ladder)trans-120124.7177.3-175.10000109.1T142 V146 V151 F153T142-V144 HydrophobicContact CG2-CG2 4.24Å; V144-V146 HydrophobicContact CG1-CG2 4.03Å; V144-V151 PolarHBondContact N-O 3.39Å; V144-V151 PolarHBondContact O-N 3.48Å; V144-F153 HydrophobicContact CB-CD2 4.43Å; V144-F153 HydrophobicContact CB-CE2 3.9Å; V144-F153 HydrophobicContact CG2-CD2 3.81Å; V144-F153 HydrophobicContact CG2-CE2 3.61Å
145S74.2Confident71.7Confident85 Ų8586.2 Ų86.259%0.59446%0.458SS*.EExtended strand (participates in β ladder)trans-88.3115.5174.8-172.40000110.4S149S145-S149 CarbonylContact C-O 3.54Å; S145-S149 WeakPolarHBondContact CA-O 3.47Å
146V71.4Confident72.2Confident74 Ų7481.3 Ų81.345%0.44844%0.439SS..EExtended strand (participates in β ladder)trans-117.9118.5176.8-175.40000108.7V144 G148 S149V144-V146 HydrophobicContact CG1-CG2 4.03Å; V146-G148 PolarHBondContact O-N 3.15Å; V146-G148 VanDerWaalsContact O-N 3.12Å; V146-S149 PolarHBondContact N-O 2.72Å; V146-S149 WeakPolarHBondContact O-CB 3.14Å; V146-S149 PolarHBondContact O-N 3.28Å
147N80Confident72.6Confident167 Ų16779 Ų7989%0.89343%0.43SS*.THydrogen-bonded Turntrans50.238.7176.9-61.6-31.3000114.2S149N147-S149 VanDerWaalsContact C-N 3.3Å; N147-S149 PolarHBondContact O-N 3.33Å
148G77.2Confident72.6Confident73 Ų7379.5 Ų79.575%0.75343%0.432SS*.THydrogen-bonded Turntrans81.51.7-178.800000115.1V146V146-G148 PolarHBondContact O-N 3.15Å; V146-G148 VanDerWaalsContact O-N 3.12Å
149S70.1Confident72.3Confident54 Ų5485.4 Ų85.438%0.37846%0.463SS..EExtended strand (participates in β ladder)trans-105.6126.9172.8-60.50000110.2S145 V146 N147S145-S149 CarbonylContact C-O 3.54Å; S145-S149 WeakPolarHBondContact CA-O 3.47Å; V146-S149 PolarHBondContact N-O 2.72Å; V146-S149 WeakPolarHBondContact O-CB 3.14Å; V146-S149 PolarHBondContact O-N 3.28Å; N147-S149 VanDerWaalsContact C-N 3.3Å; N147-S149 PolarHBondContact O-N 3.33Å
150V73.8Confident71.1Confident89 Ų8983.2 Ų83.254%0.53946%0.462SS..EExtended strand (participates in β ladder)trans-85.2122.2175.2-1790000109E143E143-V150 HydrophobicContact CB-CG1 3.96Å; E143-V150 HydrophobicContact CG-CG1 4.31Å
151V75Confident69.7Low63 Ų6384.2 Ų84.238%0.38247%0.471SS..EExtended strand (participates in β ladder)trans-109.8125.7176.6-177.80000108.3E143 V144 F153E143-V151 CarbonylContact C-O 3.58Å; E143-V151 WeakPolarHBondContact CA-O 3.46Å; V144-V151 PolarHBondContact N-O 3.39Å; V144-V151 PolarHBondContact O-N 3.48Å; V151-F153 HydrophobicContact CB-CE2 4.25Å; V151-F153 HydrophobicContact CG1-CD2 4.47Å; V151-F153 HydrophobicContact CG1-CE2 3.83Å; V151-F153 HydrophobicContact CG1-CZ 3.95Å
152T68.7Low68.1Low22 Ų2291.1 Ų91.114%0.13552%0.518CS..EExtended strand (participates in β ladder)trans-100.2129176.2-47.10000111.1M126 N130 V141 T142 E143 V154M126-T152 HydrophobicContact CE-CG2 4.48Å; M126-T152 WeakPolarHBondContact CE-OG1 3.34Å; N130-T152 WeakPolarHBondContact ND2-CG2 3.33Å; N130-T152 PolarHBondContact ND2-OG1 3.45Å; N130-T152 WeakPolarHBondContact OD1-CG2 3.44Å; V141-T152 HydrophobicContact CG1-CG2 3.27Å; T142-T152 CarbonylContact O-C 3.58Å; T142-T152 WeakPolarHBondContact O-CA 3.38Å; E143-T152 HydrophobicContact CG-CG2 4.05Å; T152-V154 HydrophobicContact CG2-CG2 4.47Å
153F73Confident67.7Low101 Ų10192.7 Ų92.744%0.44353%0.526SS..EExtended strand (participates in β ladder)trans-100.9131.7170.4-61.1-92.7000108.8V141 T142 V144 V151V141-F153 CarbonylContact C-O 3.56Å; V141-F153 WeakPolarHBondContact CA-O 3.34Å; T142-F153 PolarHBondContact N-O 3.01Å; T142-F153 PolarHBondContact O-N 2.94Å; V144-F153 HydrophobicContact CB-CD2 4.43Å; V144-F153 HydrophobicContact CB-CE2 3.9Å; V144-F153 HydrophobicContact CG2-CD2 3.81Å; V144-F153 HydrophobicContact CG2-CE2 3.61Å; V151-F153 HydrophobicContact CB-CE2 4.25Å; V151-F153 HydrophobicContact CG1-CD2 4.47Å; V151-F153 HydrophobicContact CG1-CE2 3.83Å; V151-F153 HydrophobicContact CG1-CZ 3.95Å
154V71.4Confident67.2Low65 Ų6591.9 Ų91.939%0.39453%0.527SS..EExtended strand (participates in β ladder)trans-116.8115.5174.7178.70000107.3L133 W139 V141 T152L133-V154 HydrophobicContact CD1-CB 4.39Å; L133-V154 HydrophobicContact CD1-CG1 3.67Å; L133-V154 HydrophobicContact CD1-CG2 3.78Å; W139-V154 HydrophobicContact CD2-CG1 4.48Å; W139-V154 HydrophobicContact CE3-CG1 3.64Å; W139-V154 HydrophobicContact CZ3-CG1 4.12Å; V141-V154 HydrophobicContact CG1-CG2 4.36Å; V141-V154 HydrophobicContact CG2-CG2 4.28Å; T152-V154 HydrophobicContact CG2-CG2 4.47Å
155E73.5Confident66.9Low119 Ų11993.8 Ų93.856%0.55654%0.537SS*.EExtended strand (participates in β ladder)trans-120.6145.8-178.7-62.9-176.1128.300109.5W139 V140W139-E155 CarbonylContact C-O 3.51Å; W139-E155 WeakPolarHBondContact CA-O 3.21Å; V140-E155 PolarHBondContact N-O 3.27Å; V140-E155 PolarHBondContact O-N 3.01Å
156Y68.1Low66.5Low79 Ų7994.3 Ų94.331%0.3153%0.533SS..EExtended strand (participates in β ladder)trans-92.3114.1171.6-168.9-88.6000108.3N138 W139 W158N138-Y156 HydrophobicContact CB-CD2 4.1Å; N138-Y156 HydrophobicContact CB-CE1 3.9Å; N138-Y156 HydrophobicContact CB-CE2 3.42Å; N138-Y156 VanDerWaalsContact CB-CE2 3.42Å; N138-Y156 WeakPolarHBondContact CB-OH 3.42Å; N138-Y156 PolarHBondContact ND2-OH 2.82Å; N138-Y156 CarbonylContact O-C 3.59Å; N138-Y156 WeakPolarHBondContact O-CA 3.42Å; N138-Y156 WeakPolarHBondContact O-CD2 3.48Å; W139-Y156 AromaticContact CD2-CD2 3.78Å; W139-Y156 HydrophobicContact CD2-CD2 3.78Å; W139-Y156 AromaticContact CE2-CD2 3.6Å; W139-Y156 HydrophobicContact CE3-CD2 4.04Å; W139-Y156 HydrophobicContact CG-CD2 4.33Å; W139-Y156 HydrophobicContact CH2-CD2 4.06Å; W139-Y156 AromaticContact CZ2-CD2 3.77Å; W139-Y156 HydrophobicContact CZ2-CD2 3.77Å; W139-Y156 HydrophobicContact CZ2-CE2 4.37Å; W139-Y156 HydrophobicContact CZ3-CD2 4.17Å; W139-Y156 AromaticContact NE1-CD2 3.99Å; Y156-W158 AromaticContact CD1-CD1 3.97Å; Y156-W158 AromaticContact CD1-CD2 3.51Å; Y156-W158 HydrophobicContact CD1-CD2 3.51Å; Y156-W158 AromaticContact CD1-CE2 3.51Å; Y156-W158 AromaticContact CD1-CE3 3.93Å; Y156-W158 HydrophobicContact CD1-CE3 3.93Å; Y156-W158 AromaticContact CD1-CG 3.84Å; Y156-W158 HydrophobicContact CD1-CG 3.84Å; Y156-W158 HydrophobicContact CD1-CH2 4.32Å; Y156-W158 AromaticContact CD1-CZ2 3.94Å; Y156-W158 HydrophobicContact CD1-CZ2 3.94Å; Y156-W158 HydrophobicContact CD1-CZ3 4.31Å; Y156-W158 AromaticContact CD1-NE1 3.79Å; Y156-W158 AromaticContact CE1-CD2 3.69Å; Y156-W158 HydrophobicContact CE1-CD2 3.69Å; Y156-W158 AromaticContact CE1-CE3 3.61Å; Y156-W158 HydrophobicContact CE1-CE3 3.61Å; Y156-W158 HydrophobicContact CE1-CG 4.2Å; Y156-W158 HydrophobicContact CE1-CH2 4.32Å; Y156-W158 HydrophobicContact CE1-CZ2 4.39Å; Y156-W158 AromaticContact CE1-CZ3 3.94Å; Y156-W158 HydrophobicContact CE1-CZ3 3.94Å; Y156-W158 VanDerWaalsContact O-CD1 3.31Å; Y156-W158 PolarHBondContact O-N 2.97Å
157D65Low66.2Low60 Ų6095.6 Ų95.632%0.32154%0.539SS..  trans-85.1106173.2-173.410.2000109.7N138 V140 N159 V160N138-D157 PolarHBondContact ND2-O 2.97Å; N138-D157 PolarHBondContact O-N 3.17Å; V140-D157 HydrophobicContact CG2-CB 3.59Å; D157-N159 PolarHBondContact O-N 2.67Å; D157-N159 WeakPolarHBondContact OD1-CB 3.25Å; D157-N159 PolarHBondContact OD1-N 3.18Å; D157-V160 HydrophobicContact CB-CG2 4.39Å; D157-V160 WeakPolarHBondContact OD2-CG2 3.21Å
158W62.7Low65.2Low189 Ų18990.8 Ų90.872%0.71652%0.515SS*.G310 helixtrans-69-15.3178.1-60.188.4000112.4Y156Y156-W158 AromaticContact CD1-CD1 3.97Å; Y156-W158 AromaticContact CD1-CD2 3.51Å; Y156-W158 HydrophobicContact CD1-CD2 3.51Å; Y156-W158 AromaticContact CD1-CE2 3.51Å; Y156-W158 AromaticContact CD1-CE3 3.93Å; Y156-W158 HydrophobicContact CD1-CE3 3.93Å; Y156-W158 AromaticContact CD1-CG 3.84Å; Y156-W158 HydrophobicContact CD1-CG 3.84Å; Y156-W158 HydrophobicContact CD1-CH2 4.32Å; Y156-W158 AromaticContact CD1-CZ2 3.94Å; Y156-W158 HydrophobicContact CD1-CZ2 3.94Å; Y156-W158 HydrophobicContact CD1-CZ3 4.31Å; Y156-W158 AromaticContact CD1-NE1 3.79Å; Y156-W158 AromaticContact CE1-CD2 3.69Å; Y156-W158 HydrophobicContact CE1-CD2 3.69Å; Y156-W158 AromaticContact CE1-CE3 3.61Å; Y156-W158 HydrophobicContact CE1-CE3 3.61Å; Y156-W158 HydrophobicContact CE1-CG 4.2Å; Y156-W158 HydrophobicContact CE1-CH2 4.32Å; Y156-W158 HydrophobicContact CE1-CZ2 4.39Å; Y156-W158 AromaticContact CE1-CZ3 3.94Å; Y156-W158 HydrophobicContact CE1-CZ3 3.94Å; Y156-W158 VanDerWaalsContact O-CD1 3.31Å; Y156-W158 PolarHBondContact O-N 2.97Å
159N63.6Low64.4Low144 Ų14492.1 Ų92.177%0.7750%0.498SS*.G310 helixtrans-77.3-15.5-179-87.4-1000114.5D157 S161D157-N159 PolarHBondContact O-N 2.67Å; D157-N159 WeakPolarHBondContact OD1-CB 3.25Å; D157-N159 PolarHBondContact OD1-N 3.18Å; N159-S161 PolarHBondContact O-N 2.72Å
160V48.7Very low64Low59 Ų5995 Ų9536%0.35851%0.507SS..G310 helixtrans-92.526.8179.8-157.60000112.4R137 N138 D157R137-V160 HydrophobicContact CG-CG1 4.09Å; R137-V160 WeakPolarHBondContact O-CB 3.15Å; R137-V160 WeakPolarHBondContact O-CG1 3.19Å; N138-V160 PolarHBondContact ND2-O 2.74Å; N138-V160 PolarHBondContact OD1-O 2.77Å; D157-V160 HydrophobicContact CB-CG2 4.39Å; D157-V160 WeakPolarHBondContact OD2-CG2 3.21Å
161S46.9Very low63.1Low78 Ų7895.5 Ų95.555%0.54551%0.505SS..  trans-103.363.8164.9-74.40000110.1N138 N159N138-S161 PolarHBondContact ND2-OG 2.84Å; N159-S161 PolarHBondContact O-N 2.72Å
162C41Very low62.1Low167 Ų16798.5 Ų98.5100%1.12852%0.516SS*.  trans-142.20163.3-800000108.8R137R137-C162 PolarHBondContact NH2-O 2.85Å

Retrieved 162 of 162 residues in 246.6 ms (Link to these results)

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