A0A096MHT7_POEFO Loading...

Doublecortin domain-containing protein 2

Protein that plays a role in the inhibition of canonical Wnt signaling pathway. May be involved in neuronal migration during development of the cerebral neocortex. Involved in the control of ciliogenesis and ciliary length.

AlphaFold DB , UniProt , Accession A0A096MHT7, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 580 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
1M39.3Very low55.4Low242 Ų242143.7 Ų143.7100%1.19277%0.771SS**  099.40-64.8-52.8-167.700109
2G43.9Very low56.5Low79 Ų79136.9 Ų136.981%0.81474%0.74SS**  trans-89109.8174.300000110.1E4G2-E4 PolarHBondContact O-N 3.13Å
3S53.3Low58.3Low108 Ų108132.5 Ų132.576%0.75572%0.72SS**  trans-82.790.7175.557.40000110K5S3-K5 PolarHBondContact O-N 3.19Å; S3-K5 VanDerWaalsContact O-N 3.13Å
4E54.2Low60.2Low189 Ų189126.9 Ų126.988%0.88369%0.692SS**  trans-62112.9174.4-66-167.5162.600110.3G2G2-E4 PolarHBondContact O-N 3.13Å
5K57.1Low62.1Low187 Ų187120.2 Ų120.281%0.81365%0.654SS**  trans-70.7123-179.7-64.1173.5-176.91740108.3S3 N7S3-K5 PolarHBondContact O-N 3.19Å; S3-K5 VanDerWaalsContact O-N 3.13Å; K5-N7 PolarHBondContact O-N 3.06Å
6P56Low63.9Low92 Ų92116.9 Ų116.960%0.59764%0.635SS**  trans-59.4116.6-178.621-31.9000110.7F8P6-F8 VanDerWaalsContact C-N 3.31Å; P6-F8 HydrophobicContact CB-CE2 4.04Å; P6-F8 HydrophobicContact CB-CZ 4.03Å; P6-F8 HydrophobicContact CG-CD2 4.41Å; P6-F8 HydrophobicContact CG-CE2 3.63Å; P6-F8 HydrophobicContact CG-CZ 3.84Å; P6-F8 WeakPolarHBondContact O-CD2 3.2Å; P6-F8 PolarHBondContact O-N 2.88Å
7N59.9Low65.5Low107 Ų107110 Ų11057%0.57260%0.598SS**  trans-78.279.1-173.3-173-8.4000111.2K5 L9 S10K5-N7 PolarHBondContact O-N 3.06Å; N7-L9 PolarHBondContact O-N 3.3Å; N7-L9 VanDerWaalsContact O-N 3.14Å; N7-L9 PolarHBondContact OD1-N 3.35Å; N7-S10 WeakPolarHBondContact O-CB 3.49Å; N7-S10 PolarHBondContact O-N 2.9Å; N7-S10 VanDerWaalsContact O-N 3.09Å; N7-S10 PolarHBondContact O-OG 3.09Å; N7-S10 PolarHBondContact OD1-N 3.36Å
8F56.3Low67Low185 Ų185107.8 Ų107.881%0.81158%0.582SS**THydrogen-bonded Turntrans-63.1-12.9179.8-66.3-69000114.6P6P6-F8 VanDerWaalsContact C-N 3.31Å; P6-F8 HydrophobicContact CB-CE2 4.04Å; P6-F8 HydrophobicContact CB-CZ 4.03Å; P6-F8 HydrophobicContact CG-CD2 4.41Å; P6-F8 HydrophobicContact CG-CE2 3.63Å; P6-F8 HydrophobicContact CG-CZ 3.84Å; P6-F8 WeakPolarHBondContact O-CD2 3.2Å; P6-F8 PolarHBondContact O-N 2.88Å
9L57.5Low68.3Low167 Ų167102.2 Ų102.287%0.87455%0.551SS**THydrogen-bonded Turntrans-88.1-12.9175.8-63175.4000113N7 Q11N7-L9 PolarHBondContact O-N 3.3Å; N7-L9 VanDerWaalsContact O-N 3.14Å; N7-L9 PolarHBondContact OD1-N 3.35Å; L9-Q11 PolarHBondContact O-N 2.66Å
10S65.4Low69.5Low48 Ų4897.2 Ų97.234%0.33652%0.524SS..SBendtrans-70.2116169.963.80000110.4N7 K37N7-S10 WeakPolarHBondContact O-CB 3.49Å; N7-S10 PolarHBondContact O-N 2.9Å; N7-S10 VanDerWaalsContact O-N 3.09Å; N7-S10 PolarHBondContact O-OG 3.09Å; N7-S10 PolarHBondContact OD1-N 3.36Å; S10-K37 PolarHBondContact O-NZ 3.44Å; S10-K37 PolarHBondContact OG-NZ 3.14Å
11Q66.6Low70.6Confident177 Ų17794.9 Ų94.983%0.82751%0.508SS*.PPolyproline II helixtrans-52.7134.9165-72.1-173-14.700108.5L9 V13L9-Q11 PolarHBondContact O-N 2.66Å; Q11-V13 PolarHBondContact O-N 2.97Å
12P68.6Low73Confident62 Ų6283.6 Ų83.640%0.40345%0.453SS..PPolyproline II helixtrans-60.1132.6177.425.8-33.2000109.1V14 K37P12-V14 HydrophobicContact CB-CG2 4.5Å; P12-V14 HydrophobicContact CG-CG2 4.43Å; P12-V14 PolarHBondContact O-N 3.32Å; P12-K37 HydrophobicContact CB-CD 4.2Å
13V79.8Confident75.1Confident80 Ų8081 Ų8149%0.48543%0.426SS..PPolyproline II helixtrans-65.8120.7172.6179.90000107.5Q11 E36Q11-V13 PolarHBondContact O-N 2.97Å; V13-E36 HydrophobicContact CB-CB 4.36Å; V13-E36 VanDerWaalsContact CB-OE2 3.28Å; V13-E36 WeakPolarHBondContact CB-OE2 3.3Å; V13-E36 VanDerWaalsContact CG1-OE2 3.3Å; V13-E36 WeakPolarHBondContact CG1-OE2 3.32Å; V13-E36 WeakPolarHBondContact O-CB 3.28Å; V13-E36 PolarHBondContact O-N 2.84Å
14V84.9Confident76.8Confident54 Ų5477.5 Ų77.533%0.32740%0.399SS..EExtended strand (participates in β ladder)trans-124.3116.7-176.6170.70000108.6P12 V33 I34 N35P12-V14 HydrophobicContact CB-CG2 4.5Å; P12-V14 HydrophobicContact CG-CG2 4.43Å; P12-V14 PolarHBondContact O-N 3.32Å; V14-V33 HydrophobicContact CG1-CG1 3.36Å; V14-I34 CarbonylContact C-O 3.52Å; V14-I34 VanDerWaalsContact CA-O 3.29Å; V14-I34 WeakPolarHBondContact CA-O 3.29Å; V14-N35 HydrophobicContact CG2-CB 4.09Å
15K88.8Confident78.3Confident26 Ų2671.6 Ų71.611%0.11338%0.377CS..EExtended strand (participates in β ladder)trans-92.5119.9174-51.8-176.9174.7-168.70109.2V17 I34 M75 L78 S80K15-V17 HydrophobicContact CB-CG2 4.36Å; K15-I34 HydrophobicContact CB-CB 4.19Å; K15-I34 PolarHBondContact N-O 3.45Å; K15-I34 WeakPolarHBondContact O-CB 3.16Å; K15-I34 PolarHBondContact O-N 2.85Å; K15-M75 PolarHBondContact NZ-O 3.22Å; K15-L78 VanDerWaalsContact CD-O 3.29Å; K15-L78 WeakPolarHBondContact CD-O 3.48Å; K15-L78 PolarHBondContact NZ-O 3.37Å; K15-S80 WeakPolarHBondContact CA-OG 3.49Å
16N91.3Very high79.6Confident67 Ų6772.6 Ų72.636%0.35838%0.377SS..EExtended strand (participates in β ladder)trans-87.8123.1171.4-67.9-52000108.2S80 G81N16-S80 CarbonylContact O-C 3.51Å; N16-S80 WeakPolarHBondContact O-CA 3.48Å; N16-G81 PolarHBondContact O-N 3.2Å
17V91.3Very high81.1Confident0 Ų070 Ų700%036%0.356CS..EExtended strand (participates in β ladder)trans-128.8135.4-175.3-176.70000109.9K15 M19 I32 I34 Y84K15-V17 HydrophobicContact CB-CG2 4.36Å; V17-M19 HydrophobicContact CB-CE 4.04Å; V17-M19 HydrophobicContact CG1-CE 3.56Å; V17-M19 HydrophobicContact CG1-CG 4.09Å; V17-I32 PolarHBondContact N-O 3.39Å; V17-I32 PolarHBondContact O-N 2.93Å; V17-I34 HydrophobicContact CB-CD1 4.09Å; V17-I34 HydrophobicContact CG2-CD1 3.48Å; V17-I34 VanDerWaalsContact CG2-CD1 3.48Å; V17-I34 HydrophobicContact CG2-CG1 4.14Å; V17-Y84 HydrophobicContact CG1-CD2 3.26Å; V17-Y84 HydrophobicContact CG1-CE2 3.66Å; V17-Y84 HydrophobicContact CG1-CG 4.27Å
18F92.1Very high82.4Confident71 Ų7169.7 Ų69.731%0.31135%0.351SS..EExtended strand (participates in β ladder)trans-96.1129.5176.7-68.4-85.3000109.9A29 R31 G81 E82 Q83 Y84F18-A29 HydrophobicContact CB-CB 3.93Å; F18-A29 HydrophobicContact CD1-CB 4.36Å; F18-R31 HydrophobicContact CD1-CB 3.96Å; F18-R31 HydrophobicContact CD1-CG 4.37Å; F18-R31 HydrophobicContact CE1-CB 3.78Å; F18-R31 HydrophobicContact CE1-CG 4.03Å; F18-R31 HydrophobicContact CZ-CG 4.27Å; F18-G81 WeakPolarHBondContact CD2-O 3.2Å; F18-E82 PolarHBondContact N-O 3.16Å; F18-Q83 HydrophobicContact CB-CG 4.11Å; F18-Q83 WeakPolarHBondContact O-CA 3.39Å; F18-Y84 PolarHBondContact O-N 2.85Å
19M92.1Very high84Confident0 Ų062.3 Ų62.30%032%0.324CS..EExtended strand (participates in β ladder)trans-128.7126-175.3-58.8-161.3-172.900113.3V17 R30 I32 I34 V49 I53 I63 Y84V17-M19 HydrophobicContact CB-CE 4.04Å; V17-M19 HydrophobicContact CG1-CE 3.56Å; V17-M19 HydrophobicContact CG1-CG 4.09Å; M19-R30 PolarHBondContact N-O 3.01Å; M19-R30 PolarHBondContact O-N 2.75Å; M19-I32 HydrophobicContact CB-CD1 4.16Å; M19-I32 HydrophobicContact CG-CD1 4.15Å; M19-I32 HydrophobicContact SD-CD1 3.92Å; M19-I34 HydrophobicContact CE-CD1 4.43Å; M19-V49 HydrophobicContact CE-CG2 3.67Å; M19-V49 HydrophobicContact SD-CB 4.18Å; M19-V49 HydrophobicContact SD-CG1 3.46Å; M19-V49 WeakPolarHBondContact SD-CG1 3.39Å; M19-V49 HydrophobicContact SD-CG2 3.52Å; M19-V49 VanDerWaalsContact SD-CG2 3.52Å; M19-I53 HydrophobicContact CB-CD1 3.55Å; M19-I53 HydrophobicContact CB-CG1 4.4Å; M19-I53 HydrophobicContact SD-CD1 4.35Å; M19-I63 HydrophobicContact CE-CD1 4.03Å; M19-I63 HydrophobicContact SD-CD1 4.26Å; M19-Y84 CarbonylContact C-O 3.47Å; M19-Y84 VanDerWaalsContact CA-O 3.29Å; M19-Y84 WeakPolarHBondContact CA-O 3.29Å
20F92.1Very high85.5Confident2 Ų260 Ų601%0.00930%0.303CS..EExtended strand (participates in β ladder)trans-90.6162.3171.6-62.1-83.7000111.4Y27 A29 Q83 Y84 V85 A86 Y97 I100F20-Y27 WeakPolarHBondContact CD1-O 3.42Å; F20-A29 HydrophobicContact CD1-CB 3.95Å; F20-A29 HydrophobicContact CD2-CB 4.23Å; F20-A29 HydrophobicContact CE1-CB 3.51Å; F20-A29 HydrophobicContact CE2-CB 3.84Å; F20-A29 HydrophobicContact CG-CB 4.29Å; F20-A29 HydrophobicContact CZ-CB 3.46Å; F20-A29 VanDerWaalsContact CZ-CB 3.46Å; F20-Q83 HydrophobicContact CE2-CB 4.13Å; F20-Q83 HydrophobicContact CE2-CG 4.39Å; F20-Y84 WeakPolarHBondContact CD2-O 3.33Å; F20-Y84 PolarHBondContact N-O 3.21Å; F20-V85 HydrophobicContact CB-CG2 4.36Å; F20-V85 HydrophobicContact CD2-CG2 4.48Å; F20-A86 PolarHBondContact O-N 3.05Å; F20-Y97 HydrophobicContact CB-CD1 3.75Å; F20-Y97 HydrophobicContact CB-CE1 4.3Å; F20-Y97 HydrophobicContact CD1-CD1 4.31Å; F20-Y97 HydrophobicContact CD2-CD1 4.43Å; F20-Y97 HydrophobicContact CD2-CG 4.46Å; F20-Y97 WeakPolarHBondContact CE1-O 3.49Å; F20-Y97 AromaticContact CG-CD1 3.94Å; F20-Y97 HydrophobicContact CG-CD1 3.94Å; F20-Y97 HydrophobicContact CG-CG 4.41Å; F20-Y97 WeakPolarHBondContact CZ-O 3.23Å; F20-I100 HydrophobicContact CD1-CB 4.45Å; F20-I100 HydrophobicContact CD1-CD1 4.45Å; F20-I100 HydrophobicContact CE1-CB 3.92Å; F20-I100 HydrophobicContact CE1-CG2 4.36Å
21R91.4Very high86.8Confident50 Ų5065.4 Ų65.419%0.18932%0.316CS..EExtended strand (participates in β ladder)trans-87.2128.3164.8-72.9170.5-179.3172.3-2109.5G23 D24 Y27 I53 Q54 A55 F57 Y97R21-G23 PolarHBondContact O-N 3.02Å; R21-D24 HydrophobicContact CB-CB 3.66Å; R21-D24 VanDerWaalsContact CD-OD2 3.24Å; R21-D24 WeakPolarHBondContact CD-OD2 3.21Å; R21-D24 IonicContact NH1-OD2 2.88Å; R21-D24 PolarHBondContact NH1-OD2 3.43Å; R21-D24 VanDerWaalsContact NH1-OD2 3.15Å; R21-D24 PolarHBondContact O-N 3.18Å; R21-Y27 HydrophobicContact CB-CD1 4.17Å; R21-Y27 HydrophobicContact CB-CG 4.41Å; R21-Y27 HydrophobicContact CG-CD1 3.73Å; R21-Y27 HydrophobicContact CG-CD2 4.46Å; R21-Y27 HydrophobicContact CG-CE1 3.93Å; R21-Y27 HydrophobicContact CG-CG 3.99Å; R21-I53 HydrophobicContact CG-CG2 3.3Å; R21-I53 PolarHBondContact NE-O 3.18Å; R21-I53 PolarHBondContact NH2-O 3.39Å; R21-I53 VanDerWaalsContact NH2-O 3.14Å; R21-Q54 PolarHBondContact NH2-O 2.89Å; R21-A55 HydrophobicContact CG-CB 4.09Å; R21-F57 HydrophobicContact CB-CE1 4.44Å; R21-Y97 WeakPolarHBondContact O-CE1 3.41Å
22N91.4Very high87.9Confident5 Ų557.5 Ų57.53%0.02728%0.28CS..THydrogen-bonded Turntrans-56.7128.2171.6-175.667.4000111D24 F57 V85 A86 A87 E90 K91 F92 K93 Y97N22-D24 VanDerWaalsContact C-N 3.33Å; N22-D24 PolarHBondContact O-N 3.17Å; N22-F57 HydrophobicContact CB-CE1 4.17Å; N22-V85 HydrophobicContact CB-CG1 3.81Å; N22-A86 WeakPolarHBondContact CB-O 3.46Å; N22-A86 PolarHBondContact N-O 2.92Å; N22-A87 HydrophobicContact CB-CB 3.85Å; N22-E90 WeakPolarHBondContact CB-OE1 3.48Å; N22-E90 VanDerWaalsContact ND2-CD 3.25Å; N22-E90 PolarHBondContact ND2-OE1 2.81Å; N22-K91 PolarHBondContact ND2-O 2.82Å; N22-F92 WeakPolarHBondContact OD1-CA 2.88Å; N22-K93 PolarHBondContact OD1-N 2.76Å; N22-Y97 PolarHBondContact OD1-OH 3.5Å
23G87.3Confident89Confident25 Ų2558 Ų5826%0.25828%0.282SS..THydrogen-bonded Turntrans75.36.5177.500000117.5R21 P25 Y97R21-G23 PolarHBondContact O-N 3.02Å; G23-P25 WeakPolarHBondContact O-CD 3.5Å; G23-Y97 PolarHBondContact N-OH 3.36Å
24D88.4Confident89.4Confident33 Ų3354.3 Ų54.318%0.17626%0.259CS..  trans-107.799.7178.5-172.5-22.5000109.2R21 N22 Y26 Y27R21-D24 HydrophobicContact CB-CB 3.66Å; R21-D24 VanDerWaalsContact CD-OD2 3.24Å; R21-D24 WeakPolarHBondContact CD-OD2 3.21Å; R21-D24 IonicContact NH1-OD2 2.88Å; R21-D24 PolarHBondContact NH1-OD2 3.43Å; R21-D24 VanDerWaalsContact NH1-OD2 3.15Å; R21-D24 PolarHBondContact O-N 3.18Å; N22-D24 VanDerWaalsContact C-N 3.33Å; N22-D24 PolarHBondContact O-N 3.17Å; D24-Y26 PolarHBondContact O-N 3.45Å; D24-Y26 PolarHBondContact OD1-N 3.49Å; D24-Y27 VanDerWaalsContact CG-CB 3.44Å; D24-Y27 PolarHBondContact OD1-N 2.98Å; D24-Y27 VanDerWaalsContact OD1-N 3.13Å; D24-Y27 WeakPolarHBondContact OD2-CB 3.46Å
25P85.3Confident89.5Confident66 Ų6653.4 Ų53.443%0.42925%0.252SS..THydrogen-bonded Turntrans-75-7.3-176.731.3-35.6000113.6G23 L95G23-P25 WeakPolarHBondContact O-CD 3.5Å; P25-L95 HydrophobicContact CB-CD1 4.43Å
26Y85.5Confident89.1Confident208 Ų20856.1 Ų56.182%0.81627%0.265SS*.THydrogen-bonded Turntrans-105.1-14.7-176.4-59.7-67.8000113.2D24 E28D24-Y26 PolarHBondContact O-N 3.45Å; D24-Y26 PolarHBondContact OD1-N 3.49Å; Y26-E28 PolarHBondContact O-N 2.93Å
27Y87.3Confident88.3Confident37 Ų3759.1 Ų59.115%0.14528%0.275CS..  trans-84103.6-177.9-171.7-96.4000113.1F20 R21 D24 R30 I53 I100F20-Y27 WeakPolarHBondContact CD1-O 3.42Å; R21-Y27 HydrophobicContact CB-CD1 4.17Å; R21-Y27 HydrophobicContact CB-CG 4.41Å; R21-Y27 HydrophobicContact CG-CD1 3.73Å; R21-Y27 HydrophobicContact CG-CD2 4.46Å; R21-Y27 HydrophobicContact CG-CE1 3.93Å; R21-Y27 HydrophobicContact CG-CG 3.99Å; D24-Y27 VanDerWaalsContact CG-CB 3.44Å; D24-Y27 PolarHBondContact OD1-N 2.98Å; D24-Y27 VanDerWaalsContact OD1-N 3.13Å; D24-Y27 WeakPolarHBondContact OD2-CB 3.46Å; Y27-R30 HydrophobicContact CE1-CB 4.12Å; Y27-R30 WeakPolarHBondContact OH-CD 3.38Å; Y27-I53 HydrophobicContact CE1-CG2 4.08Å; Y27-I53 PolarHBondContact OH-O 3.25Å; Y27-I100 WeakPolarHBondContact O-CG2 2.95Å
28E88Confident87.5Confident101 Ų10168.1 Ų68.147%0.47231%0.309SS..  trans-59147.9172.5-58.8-168.6170.800112.6Y26 R30Y26-E28 PolarHBondContact O-N 2.93Å; E28-R30 PolarHBondContact O-N 3.32Å; E28-R30 VanDerWaalsContact O-N 3.12Å
29A89.1Confident86.7Confident29 Ų2965.5 Ų65.524%0.2430%0.299CS..  trans-60.1114.3-173.900000112.9F18 F20F18-A29 HydrophobicContact CB-CB 3.93Å; F18-A29 HydrophobicContact CD1-CB 4.36Å; F20-A29 HydrophobicContact CD1-CB 3.95Å; F20-A29 HydrophobicContact CD2-CB 4.23Å; F20-A29 HydrophobicContact CE1-CB 3.51Å; F20-A29 HydrophobicContact CE2-CB 3.84Å; F20-A29 HydrophobicContact CG-CB 4.29Å; F20-A29 HydrophobicContact CZ-CB 3.46Å; F20-A29 VanDerWaalsContact CZ-CB 3.46Å
30R89.8Confident85.9Confident120 Ų12070.2 Ų70.245%0.45333%0.332SS..EExtended strand (participates in β ladder)trans-79.6125.5177.2-171168.9-177.5155.76.6110.1M19 Y27 E28 G52M19-R30 PolarHBondContact N-O 3.01Å; M19-R30 PolarHBondContact O-N 2.75Å; Y27-R30 HydrophobicContact CE1-CB 4.12Å; Y27-R30 WeakPolarHBondContact OH-CD 3.38Å; E28-R30 PolarHBondContact O-N 3.32Å; E28-R30 VanDerWaalsContact O-N 3.12Å; R30-G52 WeakPolarHBondContact CD-O 3.29Å; R30-G52 PolarHBondContact NE-O 2.75Å; R30-G52 VanDerWaalsContact NE-O 3.13Å; R30-G52 PolarHBondContact NH1-O 3.18Å
31R91.9Very high85.6Confident160 Ų16073.8 Ų73.860%0.60435%0.351SS*.EExtended strand (participates in β ladder)trans-73.3126.1174-169.6-17668-173.5-0.1110.6F18F18-R31 HydrophobicContact CD1-CB 3.96Å; F18-R31 HydrophobicContact CD1-CG 4.37Å; F18-R31 HydrophobicContact CE1-CB 3.78Å; F18-R31 HydrophobicContact CE1-CG 4.03Å; F18-R31 HydrophobicContact CZ-CG 4.27Å
32I90.3Very high85.4Confident11 Ų1172.6 Ų72.66%0.05635%0.347CS..EExtended strand (participates in β ladder)trans-119.2146.2177.4-56-171.7000108.4V17 M19 V49 I53V17-I32 PolarHBondContact N-O 3.39Å; V17-I32 PolarHBondContact O-N 2.93Å; M19-I32 HydrophobicContact CB-CD1 4.16Å; M19-I32 HydrophobicContact CG-CD1 4.15Å; M19-I32 HydrophobicContact SD-CD1 3.92Å; I32-V49 HydrophobicContact CD1-CB 4.3Å; I32-V49 HydrophobicContact CD1-CG1 4.18Å; I32-V49 HydrophobicContact CD1-CG2 4.07Å; I32-V49 HydrophobicContact CG2-CG2 4.35Å; I32-I53 HydrophobicContact CD1-CD1 4.16Å; I32-I53 HydrophobicContact CD1-CG1 3.82Å
33V90.3Very high85.3Confident74 Ų7477 Ų7745%0.44837%0.368SS..EExtended strand (participates in β ladder)trans-118.9100.2-168.9-176.70000109.2V14V14-V33 HydrophobicContact CG1-CG1 3.36Å
34I88.1Confident85.4Confident2 Ų277.6 Ų77.61%0.0137%0.366CS..EExtended strand (participates in β ladder)trans-90.6106.5-175-51.6-175.6000108.3V14 K15 V17 M19 V39 L45 M75 L78V14-I34 CarbonylContact C-O 3.52Å; V14-I34 VanDerWaalsContact CA-O 3.29Å; V14-I34 WeakPolarHBondContact CA-O 3.29Å; K15-I34 HydrophobicContact CB-CB 4.19Å; K15-I34 PolarHBondContact N-O 3.45Å; K15-I34 WeakPolarHBondContact O-CB 3.16Å; K15-I34 PolarHBondContact O-N 2.85Å; V17-I34 HydrophobicContact CB-CD1 4.09Å; V17-I34 HydrophobicContact CG2-CD1 3.48Å; V17-I34 VanDerWaalsContact CG2-CD1 3.48Å; V17-I34 HydrophobicContact CG2-CG1 4.14Å; M19-I34 HydrophobicContact CE-CD1 4.43Å; I34-V39 HydrophobicContact CB-CG2 4.4Å; I34-V39 HydrophobicContact CG2-CG2 3.52Å; I34-L45 HydrophobicContact CD1-CD1 3.52Å; I34-L45 HydrophobicContact CD1-CD2 3.87Å; I34-L45 HydrophobicContact CD1-CG 4.35Å; I34-L45 HydrophobicContact CG1-CD1 3.62Å; I34-L45 HydrophobicContact CG2-CD1 4.3Å; I34-M75 HydrophobicContact CG2-SD 3.8Å; I34-L78 HydrophobicContact CD1-CD1 4.02Å
35N87.6Confident85.4Confident35 Ų3576 Ų7619%0.18736%0.358CS..EExtended strand (participates in β ladder)trans-91.4113.9172179.2-22.5000109.2V14 K37 R38 V39V14-N35 HydrophobicContact CG2-CB 4.09Å; N35-K37 PolarHBondContact O-N 2.94Å; N35-K37 PolarHBondContact OD1-N 2.63Å; N35-R38 HydrophobicContact CB-CB 4.18Å; N35-R38 HydrophobicContact CB-CG 4.27Å; N35-R38 WeakPolarHBondContact O-CA 3.32Å; N35-R38 PolarHBondContact O-N 3.19Å; N35-V39 VanDerWaalsContact O-CG2 3.23Å; N35-V39 WeakPolarHBondContact O-CG2 3.2Å; N35-V39 PolarHBondContact O-N 3.09Å
36E79.7Confident85.7Confident82 Ų8273.9 Ų73.938%0.38334%0.343SS..THydrogen-bonded Turntrans-59.6-30.1-174.6-169.9161-135.900112.9V13 R38V13-E36 HydrophobicContact CB-CB 4.36Å; V13-E36 VanDerWaalsContact CB-OE2 3.28Å; V13-E36 WeakPolarHBondContact CB-OE2 3.3Å; V13-E36 VanDerWaalsContact CG1-OE2 3.3Å; V13-E36 WeakPolarHBondContact CG1-OE2 3.32Å; V13-E36 WeakPolarHBondContact O-CB 3.28Å; V13-E36 PolarHBondContact O-N 2.84Å; E36-R38 VanDerWaalsContact C-N 3.3Å; E36-R38 PolarHBondContact O-N 3.32Å
37K75.6Confident85.9Confident131 Ų13170.9 Ų70.957%0.5733%0.33SS*.THydrogen-bonded Turntrans-78.4-6.2174.6-60.2-176.3-178173.90113.8S10 P12 N35S10-K37 PolarHBondContact O-NZ 3.44Å; S10-K37 PolarHBondContact OG-NZ 3.14Å; P12-K37 HydrophobicContact CB-CD 4.2Å; N35-K37 PolarHBondContact O-N 2.94Å; N35-K37 PolarHBondContact OD1-N 2.63Å
38R74.4Confident86Confident189 Ų18973.7 Ų73.771%0.71335%0.345SS*.THydrogen-bonded Turntrans-116.3-33.4178.8-68-17268.8-142.2-3.7114.3N35 E36N35-R38 HydrophobicContact CB-CB 4.18Å; N35-R38 HydrophobicContact CB-CG 4.27Å; N35-R38 WeakPolarHBondContact O-CA 3.32Å; N35-R38 PolarHBondContact O-N 3.19Å; E36-R38 VanDerWaalsContact C-N 3.3Å; E36-R38 PolarHBondContact O-N 3.32Å
39V75.1Confident86Confident15 Ų1568.9 Ų68.99%0.09132%0.322CS..  trans-122.366.5-179.9-78.50000109.6I34 N35 T44 M75I34-V39 HydrophobicContact CB-CG2 4.4Å; I34-V39 HydrophobicContact CG2-CG2 3.52Å; N35-V39 VanDerWaalsContact O-CG2 3.23Å; N35-V39 WeakPolarHBondContact O-CG2 3.2Å; N35-V39 PolarHBondContact O-N 3.09Å; V39-T44 WeakPolarHBondContact CA-OG1 3.38Å; V39-M75 WeakPolarHBondContact O-CE 3.5Å
40S74.8Confident86.1Confident99 Ų9969.3 Ų69.369%0.69232%0.322SS*.  trans-73.9-29.4-18052.20000113.4
41N85.8Confident85.9Confident78 Ų7865.8 Ų65.842%0.41732%0.323SS..SBendtrans-97.2135.2175.6177.83.5000110.3E43 T44 L45N41-E43 PolarHBondContact O-N 2.89Å; N41-E43 PolarHBondContact OD1-N 2.95Å; N41-E43 VanDerWaalsContact OD1-N 3.09Å; N41-T44 HydrophobicContact CB-CG2 4.2Å; N41-T44 PolarHBondContact O-N 2.77Å; N41-T44 PolarHBondContact O-OG1 3.22Å; N41-L45 PolarHBondContact O-N 2.61Å
42F88.1Confident85.6Confident24 Ų2458.9 Ų58.911%0.10530%0.301CS..Hα-helixtrans-54.4-35.1176.4-172-105.9000113.2T44 L45 L46 I63 V72 L78F42-T44 VanDerWaalsContact C-N 3.32Å; F42-T44 PolarHBondContact O-N 3.5Å; F42-L45 HydrophobicContact CD2-CD2 4.22Å; F42-L45 HydrophobicContact CE2-CD2 4.11Å; F42-L45 WeakPolarHBondContact O-CB 3.04Å; F42-L45 PolarHBondContact O-N 3.23Å; F42-L46 HydrophobicContact CD1-CD1 3.96Å; F42-L46 HydrophobicContact CD1-CG 4.19Å; F42-L46 HydrophobicContact CE1-CD1 3.75Å; F42-L46 HydrophobicContact CE1-CD2 3.9Å; F42-L46 HydrophobicContact CE1-CG 3.86Å; F42-L46 HydrophobicContact CZ-CD2 4.01Å; F42-L46 HydrophobicContact CZ-CG 4.3Å; F42-L46 WeakPolarHBondContact O-CG 3.46Å; F42-L46 PolarHBondContact O-N 3.03Å; F42-I63 HydrophobicContact CE2-CD1 4.08Å; F42-I63 HydrophobicContact CZ-CB 4.22Å; F42-I63 HydrophobicContact CZ-CD1 3.97Å; F42-I63 HydrophobicContact CZ-CG1 4.15Å; F42-V72 WeakPolarHBondContact CE1-O 3.25Å; F42-V72 HydrophobicContact CE2-CG1 4.34Å; F42-V72 WeakPolarHBondContact CE2-O 3.29Å; F42-V72 WeakPolarHBondContact CZ-O 3.45Å; F42-L78 HydrophobicContact CE2-CD1 4.28Å
43E88.8Confident85.3Confident97 Ų9758.4 Ų58.445%0.45330%0.299SS..Hα-helixtrans-63.1-35.4174.6-164.7-155.4144.100113.1N41 L45 L46 R47N41-E43 PolarHBondContact O-N 2.89Å; N41-E43 PolarHBondContact OD1-N 2.95Å; N41-E43 VanDerWaalsContact OD1-N 3.09Å; E43-L45 VanDerWaalsContact C-N 3.32Å; E43-L46 PolarHBondContact O-N 3.46Å; E43-R47 PolarHBondContact O-N 2.71Å; E43-R47 IonicContact OE1-CZ 3.39Å; E43-R47 IonicContact OE1-NH1 2.63Å; E43-R47 PolarHBondContact OE1-NH1 2.83Å; E43-R47 IonicContact OE1-NH2 2.61Å; E43-R47 PolarHBondContact OE1-NH2 3.46Å
44T89.5Confident84.9Confident38 Ų3861.4 Ų61.423%0.23331%0.308CS..Hα-helixtrans-69.4-33.2176.162.70000111.8V39 N41 F42 R47 E48V39-T44 WeakPolarHBondContact CA-OG1 3.38Å; N41-T44 HydrophobicContact CB-CG2 4.2Å; N41-T44 PolarHBondContact O-N 2.77Å; N41-T44 PolarHBondContact O-OG1 3.22Å; F42-T44 VanDerWaalsContact C-N 3.32Å; F42-T44 PolarHBondContact O-N 3.5Å; T44-R47 PolarHBondContact O-N 3.01Å; T44-E48 PolarHBondContact O-N 3.47Å
45L89.3Confident84.6Confident0 Ų062 Ų620%031%0.313CS..Hα-helixtrans-65.3-45.9170173.569000111.4I34 N41 F42 E43 R47 E48 V49 I63 M75 L78I34-L45 HydrophobicContact CD1-CD1 3.52Å; I34-L45 HydrophobicContact CD1-CD2 3.87Å; I34-L45 HydrophobicContact CD1-CG 4.35Å; I34-L45 HydrophobicContact CG1-CD1 3.62Å; I34-L45 HydrophobicContact CG2-CD1 4.3Å; N41-L45 PolarHBondContact O-N 2.61Å; F42-L45 HydrophobicContact CD2-CD2 4.22Å; F42-L45 HydrophobicContact CE2-CD2 4.11Å; F42-L45 WeakPolarHBondContact O-CB 3.04Å; F42-L45 PolarHBondContact O-N 3.23Å; E43-L45 VanDerWaalsContact C-N 3.32Å; L45-R47 PolarHBondContact O-N 2.84Å; L45-R47 VanDerWaalsContact O-N 3.17Å; L45-E48 PolarHBondContact O-N 3.17Å; L45-V49 HydrophobicContact CD1-CG2 3.58Å; L45-V49 HydrophobicContact CG-CG2 3.81Å; L45-V49 VanDerWaalsContact O-CB 3.32Å; L45-V49 WeakPolarHBondContact O-CB 2.92Å; L45-V49 WeakPolarHBondContact O-CG2 3.48Å; L45-V49 PolarHBondContact O-N 3.49Å; L45-I63 HydrophobicContact CD2-CD1 4.06Å; L45-I63 HydrophobicContact CG-CD1 4.48Å; L45-M75 HydrophobicContact CB-CE 3.99Å; L45-M75 HydrophobicContact CD2-CE 4.2Å; L45-M75 HydrophobicContact CD2-SD 4.21Å; L45-L78 HydrophobicContact CD2-CD1 3.17Å
46L90.4Very high84.3Confident22 Ų2265.7 Ų65.712%0.11534%0.339CS..Hα-helixtrans-56-34.1178.7-68.7172.1000112.4F42 E43 T50 V60 R61 I63F42-L46 HydrophobicContact CD1-CD1 3.96Å; F42-L46 HydrophobicContact CD1-CG 4.19Å; F42-L46 HydrophobicContact CE1-CD1 3.75Å; F42-L46 HydrophobicContact CE1-CD2 3.9Å; F42-L46 HydrophobicContact CE1-CG 3.86Å; F42-L46 HydrophobicContact CZ-CD2 4.01Å; F42-L46 HydrophobicContact CZ-CG 4.3Å; F42-L46 WeakPolarHBondContact O-CG 3.46Å; F42-L46 PolarHBondContact O-N 3.03Å; E43-L46 PolarHBondContact O-N 3.46Å; L46-T50 WeakPolarHBondContact O-CB 3.48Å; L46-T50 PolarHBondContact O-N 3.22Å; L46-T50 PolarHBondContact O-OG1 3.09Å; L46-V60 HydrophobicContact CD2-CG1 4.01Å; L46-R61 VanDerWaalsContact CD1-O 3.25Å; L46-R61 WeakPolarHBondContact CD1-O 3.39Å; L46-I63 HydrophobicContact CD2-CD1 4.06Å; L46-I63 HydrophobicContact CD2-CG1 3.88Å
47R89.8Confident84.3Confident145 Ų14564 Ų6455%0.54733%0.33SS..Hα-helixtrans-67.6-50.6171.2-75.1-167.1-81.5-90.50.7113.2E43 T44 L45 V49 T50 G51E43-R47 PolarHBondContact O-N 2.71Å; E43-R47 IonicContact OE1-CZ 3.39Å; E43-R47 IonicContact OE1-NH1 2.63Å; E43-R47 PolarHBondContact OE1-NH1 2.83Å; E43-R47 IonicContact OE1-NH2 2.61Å; E43-R47 PolarHBondContact OE1-NH2 3.46Å; T44-R47 PolarHBondContact O-N 3.01Å; L45-R47 PolarHBondContact O-N 2.84Å; L45-R47 VanDerWaalsContact O-N 3.17Å; R47-V49 VanDerWaalsContact C-N 3.26Å; R47-V49 PolarHBondContact O-N 2.64Å; R47-T50 WeakPolarHBondContact O-CB 3.49Å; R47-T50 PolarHBondContact O-N 2.95Å; R47-T50 VanDerWaalsContact O-N 3.16Å; R47-G51 PolarHBondContact O-N 2.8Å
48E89.2Confident84.8Confident95 Ų9559.6 Ų59.644%0.44432%0.322SS..Hα-helixtrans-57.8-41.8176.6-171.971.5-173.600111.1T44 L45 G51 G52T44-E48 PolarHBondContact O-N 3.47Å; L45-E48 PolarHBondContact O-N 3.17Å; E48-G51 PolarHBondContact O-N 3.07Å; E48-G52 PolarHBondContact O-N 3.17Å
49V89.5Confident85.5Confident0 Ų053.3 Ų53.30%031%0.311CS..Hα-helixtrans-66.4-38.8177172.70000111.9M19 I32 L45 R47 G52 I53 V60 I63 A86M19-V49 HydrophobicContact CE-CG2 3.67Å; M19-V49 HydrophobicContact SD-CB 4.18Å; M19-V49 HydrophobicContact SD-CG1 3.46Å; M19-V49 WeakPolarHBondContact SD-CG1 3.39Å; M19-V49 HydrophobicContact SD-CG2 3.52Å; M19-V49 VanDerWaalsContact SD-CG2 3.52Å; I32-V49 HydrophobicContact CD1-CB 4.3Å; I32-V49 HydrophobicContact CD1-CG1 4.18Å; I32-V49 HydrophobicContact CD1-CG2 4.07Å; I32-V49 HydrophobicContact CG2-CG2 4.35Å; L45-V49 HydrophobicContact CD1-CG2 3.58Å; L45-V49 HydrophobicContact CG-CG2 3.81Å; L45-V49 VanDerWaalsContact O-CB 3.32Å; L45-V49 WeakPolarHBondContact O-CB 2.92Å; L45-V49 WeakPolarHBondContact O-CG2 3.48Å; L45-V49 PolarHBondContact O-N 3.49Å; R47-V49 VanDerWaalsContact C-N 3.26Å; R47-V49 PolarHBondContact O-N 2.64Å; V49-G52 PolarHBondContact O-N 3.31Å; V49-I53 HydrophobicContact CG1-CD1 3.56Å; V49-I53 HydrophobicContact CG1-CG1 4.25Å; V49-I53 WeakPolarHBondContact O-CB 3.1Å; V49-I53 WeakPolarHBondContact O-CG1 3.39Å; V49-I53 PolarHBondContact O-N 3.47Å; V49-V60 HydrophobicContact CG1-CB 4.31Å; V49-V60 HydrophobicContact CG1-CG1 4.05Å; V49-V60 HydrophobicContact CG1-CG2 4.17Å; V49-I63 HydrophobicContact CG2-CD1 4.42Å; V49-A86 HydrophobicContact CG1-CB 4.11Å
50T90.3Very high86.3Confident38 Ų3852.9 Ų52.923%0.23331%0.308CS..Hα-helixtrans-61.1-49.7172.7-64.70000111.2L46 R47 G52 Q54 A59 V60L46-T50 WeakPolarHBondContact O-CB 3.48Å; L46-T50 PolarHBondContact O-N 3.22Å; L46-T50 PolarHBondContact O-OG1 3.09Å; R47-T50 WeakPolarHBondContact O-CB 3.49Å; R47-T50 PolarHBondContact O-N 2.95Å; R47-T50 VanDerWaalsContact O-N 3.16Å; T50-G52 VanDerWaalsContact C-N 3.28Å; T50-G52 PolarHBondContact O-N 3.01Å; T50-Q54 PolarHBondContact O-N 2.79Å; T50-A59 HydrophobicContact CG2-CB 4.18Å; T50-V60 WeakPolarHBondContact OG1-CB 3.15Å; T50-V60 PolarHBondContact OG1-N 3.06Å
51G86Confident87Confident46 Ų4655.4 Ų55.447%0.47430%0.303SS..Hα-helixtrans-63.5-33.2177.500000113.3R47 E48 Q54R47-G51 PolarHBondContact O-N 2.8Å; E48-G51 PolarHBondContact O-N 3.07Å; G51-Q54 WeakPolarHBondContact O-CG 3.02Å; G51-Q54 PolarHBondContact O-NE2 2.86Å
52G84.8Confident87.3Confident15 Ų1553.5 Ų53.516%0.15529%0.292CS..Hα-helixtrans-70.2-52.6174.500000113.6R30 E48 V49 T50R30-G52 WeakPolarHBondContact CD-O 3.29Å; R30-G52 PolarHBondContact NE-O 2.75Å; R30-G52 VanDerWaalsContact NE-O 3.13Å; R30-G52 PolarHBondContact NH1-O 3.18Å; E48-G52 PolarHBondContact O-N 3.17Å; V49-G52 PolarHBondContact O-N 3.31Å; T50-G52 VanDerWaalsContact C-N 3.28Å; T50-G52 PolarHBondContact O-N 3.01Å
53I85.3Confident87.5Confident1 Ų152.3 Ų52.31%0.00529%0.287CS..Hα-helixtrans-84-34.5-168.7-61.9177.4000112.7M19 R21 Y27 I32 V49 A55 A86M19-I53 HydrophobicContact CB-CD1 3.55Å; M19-I53 HydrophobicContact CB-CG1 4.4Å; M19-I53 HydrophobicContact SD-CD1 4.35Å; R21-I53 HydrophobicContact CG-CG2 3.3Å; R21-I53 PolarHBondContact NE-O 3.18Å; R21-I53 PolarHBondContact NH2-O 3.39Å; R21-I53 VanDerWaalsContact NH2-O 3.14Å; Y27-I53 HydrophobicContact CE1-CG2 4.08Å; Y27-I53 PolarHBondContact OH-O 3.25Å; I32-I53 HydrophobicContact CD1-CD1 4.16Å; I32-I53 HydrophobicContact CD1-CG1 3.82Å; V49-I53 HydrophobicContact CG1-CD1 3.56Å; V49-I53 HydrophobicContact CG1-CG1 4.25Å; V49-I53 WeakPolarHBondContact O-CB 3.1Å; V49-I53 WeakPolarHBondContact O-CG1 3.39Å; V49-I53 PolarHBondContact O-N 3.47Å; I53-A55 HydrophobicContact CG2-CB 4.15Å; I53-A86 HydrophobicContact CD1-CB 3.35Å
54Q82.2Confident87.6Confident138 Ų13849.2 Ų49.265%0.64527%0.272SS*.  trans47.463.2-176.6-58.6-179.69.100111.1R21 T50 G51R21-Q54 PolarHBondContact NH2-O 2.89Å; T50-Q54 PolarHBondContact O-N 2.79Å; G51-Q54 WeakPolarHBondContact O-CG 3.02Å; G51-Q54 PolarHBondContact O-NE2 2.86Å
55A81.8Confident87.8Confident13 Ų1349.5 Ų49.511%0.10727%0.274CS..BIsolated β-bridgetrans-80.4149.4-17400000112.3R21 I53 F57 G58R21-A55 HydrophobicContact CG-CB 4.09Å; I53-A55 HydrophobicContact CG2-CB 4.15Å; A55-F57 HydrophobicContact CB-CD1 3.93Å; A55-F57 HydrophobicContact CB-CD2 3.75Å; A55-F57 HydrophobicContact CB-CE1 3.57Å; A55-F57 HydrophobicContact CB-CE2 3.37Å; A55-F57 HydrophobicContact CB-CG 4.01Å; A55-F57 HydrophobicContact CB-CZ 3.26Å; A55-F57 PolarHBondContact O-N 2.83Å; A55-G58 PolarHBondContact O-N 2.93Å
56P79.5Confident87.7Confident113 Ų11350.3 Ų50.373%0.73428%0.279SS*.THydrogen-bonded Turntrans-65.2-23.9178.127.1-34.9000113.1G58P56-G58 PolarHBondContact O-N 3.05Å
57F80.1Confident87.3Confident46 Ų4659.5 Ų59.520%0.20231%0.312CS..THydrogen-bonded Turntrans-75.94.9172.257.7-115.4000114R21 N22 A55 V60 A86 G88 E90R21-F57 HydrophobicContact CB-CE1 4.44Å; N22-F57 HydrophobicContact CB-CE1 4.17Å; A55-F57 HydrophobicContact CB-CD1 3.93Å; A55-F57 HydrophobicContact CB-CD2 3.75Å; A55-F57 HydrophobicContact CB-CE1 3.57Å; A55-F57 HydrophobicContact CB-CE2 3.37Å; A55-F57 HydrophobicContact CB-CG 4.01Å; A55-F57 HydrophobicContact CB-CZ 3.26Å; A55-F57 PolarHBondContact O-N 2.83Å; F57-V60 HydrophobicContact CE2-CG2 3.97Å; F57-V60 HydrophobicContact CZ-CG2 4.42Å; F57-A86 WeakPolarHBondContact CZ-O 3.26Å; F57-G88 VanDerWaalsContact CE2-N 3.27Å; F57-E90 HydrophobicContact CB-CG 4.34Å; F57-E90 HydrophobicContact CD1-CG 4.44Å; F57-E90 WeakPolarHBondContact CD1-OE1 3.41Å; F57-E90 HydrophobicContact CG-CG 4.44Å
58G85.6Confident86.6Confident39 Ų3954.4 Ų54.440%0.40230%0.304SS..BIsolated β-bridgetrans79.6-137.4179.900000113.5A55 P56A55-G58 PolarHBondContact O-N 2.93Å; P56-G58 PolarHBondContact O-N 3.05Å
59A89.3Confident86.3Confident57 Ų5750.8 Ų50.847%0.47129%0.292SS..SBendtrans-67.6134.9-174.800000112.8T50 G88T50-A59 HydrophobicContact CG2-CB 4.18Å; A59-G88 VanDerWaalsContact O-CA 3.26Å; A59-G88 WeakPolarHBondContact O-CA 3.37Å
60V91.9Very high86.3Confident7 Ų757 Ų574%0.04232%0.321CS..  trans-74.7128.1175-178.50000108.7L46 V49 T50 F57 A86L46-V60 HydrophobicContact CD2-CG1 4.01Å; V49-V60 HydrophobicContact CG1-CB 4.31Å; V49-V60 HydrophobicContact CG1-CG1 4.05Å; V49-V60 HydrophobicContact CG1-CG2 4.17Å; T50-V60 WeakPolarHBondContact OG1-CB 3.15Å; T50-V60 PolarHBondContact OG1-N 3.06Å; F57-V60 HydrophobicContact CE2-CG2 3.97Å; F57-V60 HydrophobicContact CZ-CG2 4.42Å; V60-A86 HydrophobicContact CB-CB 4.43Å; V60-A86 HydrophobicContact CG1-CB 3.63Å; V60-A86 HydrophobicContact CG2-CB 3.85Å
61R90.7Very high86.3Confident152 Ų15259.9 Ų59.957%0.57433%0.331SS*.  trans-117.6-31.2-179.4-65.9-177.4172.5-167.9-5.8112.7L46 A87L46-R61 VanDerWaalsContact CD1-O 3.25Å; L46-R61 WeakPolarHBondContact CD1-O 3.39Å; R61-A87 PolarHBondContact N-O 2.77Å
62N91Very high86.5Confident37 Ų3758 Ų5820%0.19831%0.31CS..EExtended strand (participates in β ladder)trans-128147.4-179.7-61.1-26.4000109.5Y64 K71 A87N62-Y64 HydrophobicContact CB-CD2 4.28Å; N62-Y64 HydrophobicContact CB-CE2 3.61Å; N62-Y64 PolarHBondContact ND2-OH 2.93Å; N62-K71 WeakPolarHBondContact OD1-CE 3.39Å; N62-A87 PolarHBondContact N-O 3.37Å; N62-A87 PolarHBondContact O-N 3.23Å
63I92.1Very high86.5Confident0 Ų061 Ų610%032%0.322CS..EExtended strand (participates in β ladder)trans-116137.2167.5-62.2176000107.4M19 F42 L45 L46 V49 V72 Y84M19-I63 HydrophobicContact CE-CD1 4.03Å; M19-I63 HydrophobicContact SD-CD1 4.26Å; F42-I63 HydrophobicContact CE2-CD1 4.08Å; F42-I63 HydrophobicContact CZ-CB 4.22Å; F42-I63 HydrophobicContact CZ-CD1 3.97Å; F42-I63 HydrophobicContact CZ-CG1 4.15Å; L45-I63 HydrophobicContact CD2-CD1 4.06Å; L45-I63 HydrophobicContact CG-CD1 4.48Å; L46-I63 HydrophobicContact CD2-CD1 4.06Å; L46-I63 HydrophobicContact CD2-CG1 3.88Å; V49-I63 HydrophobicContact CG2-CD1 4.42Å; I63-V72 HydrophobicContact CB-CB 4.34Å; I63-V72 HydrophobicContact CG2-CB 4.28Å; I63-V72 PolarHBondContact O-N 3.05Å; I63-Y84 HydrophobicContact CG2-CD1 4.08Å; I63-Y84 HydrophobicContact CG2-CG 4.12Å
64Y92.4Very high86.6Confident31 Ų3168.8 Ų68.812%0.12235%0.352CS..EExtended strand (participates in β ladder)trans-127.2145.6-175.5-67-69.5000112.1N62 G69 H70 K71 Y84 V85 A87 F92N62-Y64 HydrophobicContact CB-CD2 4.28Å; N62-Y64 HydrophobicContact CB-CE2 3.61Å; N62-Y64 PolarHBondContact ND2-OH 2.93Å; Y64-G69 WeakPolarHBondContact CD1-O 3.46Å; Y64-H70 CarbonylContact C-O 3.59Å; Y64-H70 VanDerWaalsContact CA-O 3.29Å; Y64-H70 WeakPolarHBondContact CA-O 3.48Å; Y64-K71 HydrophobicContact CD1-CB 4.14Å; Y64-K71 HydrophobicContact CE1-CB 3.84Å; Y64-K71 HydrophobicContact CE1-CG 4.14Å; Y64-Y84 CarbonylContact O-C 3.53Å; Y64-V85 PolarHBondContact N-O 2.86Å; Y64-V85 PolarHBondContact O-N 3.13Å; Y64-A87 HydrophobicContact CD2-CB 3.75Å; Y64-A87 HydrophobicContact CE2-CB 3.6Å; Y64-F92 HydrophobicContact CD1-CB 4.42Å; Y64-F92 HydrophobicContact CD2-CB 3.94Å; Y64-F92 AromaticContact CD2-CD2 3.91Å; Y64-F92 HydrophobicContact CD2-CD2 3.91Å; Y64-F92 HydrophobicContact CD2-CG 4.31Å; Y64-F92 HydrophobicContact CE1-CB 4.48Å; Y64-F92 HydrophobicContact CE2-CB 3.99Å; Y64-F92 HydrophobicContact CG-CB 4.15Å; Y64-F92 AromaticContact CG-CD2 3.87Å; Y64-F92 HydrophobicContact CG-CD2 3.87Å; Y64-F92 HydrophobicContact CG-CG 4.22Å
65T92.3Very high86.7Confident45 Ų4563.3 Ų63.328%0.27633%0.326SS..  trans-76127.5173.2-520000110.7R67 G68 G69 H70T65-R67 VanDerWaalsContact C-N 3.32Å; T65-R67 PolarHBondContact O-N 3.14Å; T65-G68 PolarHBondContact O-N 2.85Å; T65-G68 VanDerWaalsContact O-N 3.17Å; T65-G69 PolarHBondContact O-N 3.17Å; T65-H70 PolarHBondContact N-O 3.46Å
66P88.1Confident86.8Confident16 Ų1669.3 Ų69.310%0.10435%0.352CS..THydrogen-bonded Turntrans-61.5-35.3-171.123.1-34.4000113.5G68 Q83 V85 Y97 L98P66-G68 PolarHBondContact O-N 3.08Å; P66-Q83 WeakPolarHBondContact CD-O 3.36Å; P66-Q83 HydrophobicContact CG-CB 4.2Å; P66-Q83 WeakPolarHBondContact CG-O 3.47Å; P66-V85 HydrophobicContact CB-CG2 3.84Å; P66-Y97 HydrophobicContact CB-CD2 4.18Å; P66-Y97 HydrophobicContact CB-CG 4.4Å; P66-L98 HydrophobicContact CB-CD2 4.23Å; P66-L98 HydrophobicContact CG-CD2 3.89Å
67R81.8Confident87.1Confident215 Ų21566.6 Ų66.681%0.81134%0.336SS*.THydrogen-bonded Turntrans-73.6-19.7-179.6-69.7-172.7179.4-135.4-1.3115T65 L98T65-R67 VanDerWaalsContact C-N 3.32Å; T65-R67 PolarHBondContact O-N 3.14Å; R67-L98 HydrophobicContact CG-CD1 3.85Å
68G75Confident87.4Confident38 Ų3864.5 Ų64.539%0.39233%0.327SS..THydrogen-bonded Turntrans-143.1-10.5-166.700000116.7T65 P66 H70T65-G68 PolarHBondContact O-N 2.85Å; T65-G68 VanDerWaalsContact O-N 3.17Å; P66-G68 PolarHBondContact O-N 3.08Å; G68-H70 PolarHBondContact O-N 2.82Å
69G83Confident87.5Confident19 Ų1968.3 Ų68.320%0.19633%0.334CS..  trans66.413.4-176.300000114.5Y64 T65 K71 F92Y64-G69 WeakPolarHBondContact CD1-O 3.46Å; T65-G69 PolarHBondContact O-N 3.17Å; G69-K71 PolarHBondContact O-N 3.02Å; G69-F92 VanDerWaalsContact CA-CD1 3.44Å
70H90Very high87.5Confident131 Ų13169.5 Ų69.561%0.60634%0.339SS*.PPolyproline II helixtrans-66.4130.4175.9-62.5-64.5000110.3Y64 T65 G68 V72Y64-H70 CarbonylContact C-O 3.59Å; Y64-H70 VanDerWaalsContact CA-O 3.29Å; Y64-H70 WeakPolarHBondContact CA-O 3.48Å; T65-H70 PolarHBondContact N-O 3.46Å; G68-H70 PolarHBondContact O-N 2.82Å; H70-V72 PolarHBondContact O-N 2.79Å
71K90.6Very high87.2Confident98 Ų9871.2 Ų71.243%0.42636%0.358SS..EExtended strand (participates in β ladder)trans-72.3125.6177.7-168174-176.2-86.60109.8N62 Y64 G69 D73N62-K71 WeakPolarHBondContact OD1-CE 3.39Å; Y64-K71 HydrophobicContact CD1-CB 4.14Å; Y64-K71 HydrophobicContact CE1-CB 3.84Å; Y64-K71 HydrophobicContact CE1-CG 4.14Å; G69-K71 PolarHBondContact O-N 3.02Å; K71-D73 IonicContact NZ-OD1 2.79Å; K71-D73 PolarHBondContact NZ-OD1 3.3Å; K71-D73 IonicContact NZ-OD2 2.78Å; K71-D73 PolarHBondContact NZ-OD2 2.74Å
72V89.7Confident87.1Confident6 Ų668.4 Ų68.44%0.03635%0.351CS..EExtended strand (participates in β ladder)trans-94.4117.5173.7176.40000107.3F42 I63 H70 L78 Y84F42-V72 WeakPolarHBondContact CE1-O 3.25Å; F42-V72 HydrophobicContact CE2-CG1 4.34Å; F42-V72 WeakPolarHBondContact CE2-O 3.29Å; F42-V72 WeakPolarHBondContact CZ-O 3.45Å; I63-V72 HydrophobicContact CB-CB 4.34Å; I63-V72 HydrophobicContact CG2-CB 4.28Å; I63-V72 PolarHBondContact O-N 3.05Å; H70-V72 PolarHBondContact O-N 2.79Å; V72-L78 HydrophobicContact CG1-CD2 3.82Å; V72-L78 HydrophobicContact CG1-CG 3.82Å; V72-Y84 HydrophobicContact CG2-CD1 3.87Å; V72-Y84 HydrophobicContact CG2-CE1 3.82Å
73D85.1Confident87.2Confident79 Ų7969.4 Ų69.442%0.42236%0.355SS..  trans-123.2-4.7-178.4-80-30000114.1K71K71-D73 IonicContact NZ-OD1 2.79Å; K71-D73 PolarHBondContact NZ-OD1 3.3Å; K71-D73 IonicContact NZ-OD2 2.78Å; K71-D73 PolarHBondContact NZ-OD2 2.74Å
74R85.8Confident87.2Confident164 Ų16470 Ų7062%0.61936%0.357SS*.  trans-115147.1179-60.9-169.3-174.1-174.32.7111E76 S77R74-E76 HydrophobicContact CB-CB 4.35Å; R74-E76 VanDerWaalsContact CD-OE2 3.32Å; R74-E76 WeakPolarHBondContact CD-OE2 3.19Å; R74-E76 IonicContact NH1-OE2 2.65Å; R74-E76 PolarHBondContact NH1-OE2 3.4Å; R74-E76 PolarHBondContact O-N 3.05Å; R74-S77 PolarHBondContact O-N 3.38Å; R74-S77 PolarHBondContact O-OG 2.88Å
75M84.6Confident87.2Confident23 Ų2368.5 Ų68.511%0.11335%0.351CS..SBendtrans-66.1-25.9172.3-159.259.457.300112.2K15 I34 V39 L45 L78K15-M75 PolarHBondContact NZ-O 3.22Å; I34-M75 HydrophobicContact CG2-SD 3.8Å; V39-M75 WeakPolarHBondContact O-CE 3.5Å; L45-M75 HydrophobicContact CB-CE 3.99Å; L45-M75 HydrophobicContact CD2-CE 4.2Å; L45-M75 HydrophobicContact CD2-SD 4.21Å; M75-L78 HydrophobicContact SD-CD1 4.01Å
76E84.4Confident87.2Confident139 Ų13966.4 Ų66.465%0.6534%0.338SS*.THydrogen-bonded Turntrans-65-46.6178-63.9162.4169.600112.2R74 L78R74-E76 HydrophobicContact CB-CB 4.35Å; R74-E76 VanDerWaalsContact CD-OE2 3.32Å; R74-E76 WeakPolarHBondContact CD-OE2 3.19Å; R74-E76 IonicContact NH1-OE2 2.65Å; R74-E76 PolarHBondContact NH1-OE2 3.4Å; R74-E76 PolarHBondContact O-N 3.05Å; E76-L78 PolarHBondContact O-N 2.87Å
77S85.9Confident87.4Confident57 Ų5765.6 Ų65.640%0.39933%0.333SS..THydrogen-bonded Turntrans-76.41.4-176.946.90000114.5R74 Y84R74-S77 PolarHBondContact O-N 3.38Å; R74-S77 PolarHBondContact O-OG 2.88Å; S77-Y84 PolarHBondContact O-OH 2.76Å
78L87.3Confident87.8Confident1 Ų155.5 Ų55.51%0.00530%0.296CS..  trans-88.2121.8164.4-67.8164.2000109.6K15 I34 F42 L45 V72 M75 E76 Y84K15-L78 VanDerWaalsContact CD-O 3.29Å; K15-L78 WeakPolarHBondContact CD-O 3.48Å; K15-L78 PolarHBondContact NZ-O 3.37Å; I34-L78 HydrophobicContact CD1-CD1 4.02Å; F42-L78 HydrophobicContact CE2-CD1 4.28Å; L45-L78 HydrophobicContact CD2-CD1 3.17Å; V72-L78 HydrophobicContact CG1-CD2 3.82Å; V72-L78 HydrophobicContact CG1-CG 3.82Å; M75-L78 HydrophobicContact SD-CD1 4.01Å; E76-L78 PolarHBondContact O-N 2.87Å; L78-Y84 WeakPolarHBondContact CA-OH 3.22Å; L78-Y84 HydrophobicContact CD2-CD1 4.11Å; L78-Y84 HydrophobicContact CD2-CD2 4.19Å; L78-Y84 HydrophobicContact CD2-CE1 3.93Å; L78-Y84 HydrophobicContact CD2-CE2 4Å; L78-Y84 HydrophobicContact CD2-CG 4.22Å
79Q87.3Confident88.4Confident120 Ų12062.8 Ų62.856%0.56132%0.317SS*.  trans-109.1150.5-178-67.2-176.1-10.500111.9G81 E82 Y84Q79-G81 PolarHBondContact O-N 3.37Å; Q79-E82 HydrophobicContact CB-CB 4.06Å; Q79-E82 HydrophobicContact CB-CG 3.87Å; Q79-E82 PolarHBondContact O-N 3.01Å; Q79-Y84 PolarHBondContact N-OH 2.94Å
80S88Confident88.6Confident82 Ų8264.2 Ų64.257%0.57332%0.318SS*.THydrogen-bonded Turntrans-74.8123178.7-65.30000111.4K15 N16K15-S80 WeakPolarHBondContact CA-OG 3.49Å; N16-S80 CarbonylContact O-C 3.51Å; N16-S80 WeakPolarHBondContact O-CA 3.48Å
81G85.7Confident88.4Confident42 Ų4266.8 Ų66.843%0.43333%0.328SS..THydrogen-bonded Turntrans95.7-14.6-176.900000113.8N16 F18 Q79N16-G81 PolarHBondContact O-N 3.2Å; F18-G81 WeakPolarHBondContact CD2-O 3.2Å; Q79-G81 PolarHBondContact O-N 3.37Å
82E90.1Very high88.4Confident93 Ų9364.1 Ų64.144%0.43532%0.316SS..  trans-80161.2-172.8-86.2-55.9147.100115F18 Q79 Y84F18-E82 PolarHBondContact N-O 3.16Å; Q79-E82 HydrophobicContact CB-CB 4.06Å; Q79-E82 HydrophobicContact CB-CG 3.87Å; Q79-E82 PolarHBondContact O-N 3.01Å; E82-Y84 HydrophobicContact CB-CD2 4.44Å; E82-Y84 HydrophobicContact CB-CE2 3.53Å
83Q91.3Very high88.4Confident59 Ų5968.4 Ų68.428%0.27633%0.334SS..EExtended strand (participates in β ladder)trans-107.3133.3-174.2-64.6-17830.300111.8F18 F20 P66 L98F18-Q83 HydrophobicContact CB-CG 4.11Å; F18-Q83 WeakPolarHBondContact O-CA 3.39Å; F20-Q83 HydrophobicContact CE2-CB 4.13Å; F20-Q83 HydrophobicContact CE2-CG 4.39Å; P66-Q83 WeakPolarHBondContact CD-O 3.36Å; P66-Q83 HydrophobicContact CG-CB 4.2Å; P66-Q83 WeakPolarHBondContact CG-O 3.47Å; Q83-L98 VanDerWaalsContact OE1-CD2 3.29Å
84Y92.4Very high88.5Confident12 Ų1273.3 Ų73.35%0.04735%0.352CS..EExtended strand (participates in β ladder)trans-138.9163.7-178.7-59.3-95.1000111.2V17 F18 M19 F20 I63 Y64 V72 S77 L78 Q79 E82V17-Y84 HydrophobicContact CG1-CD2 3.26Å; V17-Y84 HydrophobicContact CG1-CE2 3.66Å; V17-Y84 HydrophobicContact CG1-CG 4.27Å; F18-Y84 PolarHBondContact O-N 2.85Å; M19-Y84 CarbonylContact C-O 3.47Å; M19-Y84 VanDerWaalsContact CA-O 3.29Å; M19-Y84 WeakPolarHBondContact CA-O 3.29Å; F20-Y84 WeakPolarHBondContact CD2-O 3.33Å; F20-Y84 PolarHBondContact N-O 3.21Å; I63-Y84 HydrophobicContact CG2-CD1 4.08Å; I63-Y84 HydrophobicContact CG2-CG 4.12Å; Y64-Y84 CarbonylContact O-C 3.53Å; V72-Y84 HydrophobicContact CG2-CD1 3.87Å; V72-Y84 HydrophobicContact CG2-CE1 3.82Å; S77-Y84 PolarHBondContact O-OH 2.76Å; L78-Y84 WeakPolarHBondContact CA-OH 3.22Å; L78-Y84 HydrophobicContact CD2-CD1 4.11Å; L78-Y84 HydrophobicContact CD2-CD2 4.19Å; L78-Y84 HydrophobicContact CD2-CE1 3.93Å; L78-Y84 HydrophobicContact CD2-CE2 4Å; L78-Y84 HydrophobicContact CD2-CG 4.22Å; Q79-Y84 PolarHBondContact N-OH 2.94Å; E82-Y84 HydrophobicContact CB-CD2 4.44Å; E82-Y84 HydrophobicContact CB-CE2 3.53Å
85V92.3Very high88.5Confident0 Ų068.7 Ų68.70%034%0.339CS..EExtended strand (participates in β ladder)trans-120.5117.3-177.8-173.60000108.6F20 N22 Y64 P66 F92 Y97F20-V85 HydrophobicContact CB-CG2 4.36Å; F20-V85 HydrophobicContact CD2-CG2 4.48Å; N22-V85 HydrophobicContact CB-CG1 3.81Å; Y64-V85 PolarHBondContact N-O 2.86Å; Y64-V85 PolarHBondContact O-N 3.13Å; P66-V85 HydrophobicContact CB-CG2 3.84Å; V85-F92 HydrophobicContact CB-CE2 4.02Å; V85-F92 HydrophobicContact CG1-CD2 4.43Å; V85-F92 HydrophobicContact CG1-CE2 4.11Å; V85-F92 HydrophobicContact CG2-CE2 4.06Å; V85-Y97 HydrophobicContact CG1-CD1 4.42Å; V85-Y97 HydrophobicContact CG1-CE1 3.87Å; V85-Y97 HydrophobicContact CG1-CE2 4.12Å; V85-Y97 HydrophobicContact CG2-CD1 4.07Å; V85-Y97 HydrophobicContact CG2-CD2 3.64Å; V85-Y97 HydrophobicContact CG2-CE1 4.27Å; V85-Y97 HydrophobicContact CG2-CE2 3.85Å; V85-Y97 HydrophobicContact CG2-CG 3.77Å
86A93.3Very high88.5Confident0 Ų073.9 Ų73.90%037%0.367CS..EExtended strand (participates in β ladder)trans-82.9135.617600000110.8F20 N22 V49 I53 F57 V60F20-A86 PolarHBondContact O-N 3.05Å; N22-A86 WeakPolarHBondContact CB-O 3.46Å; N22-A86 PolarHBondContact N-O 2.92Å; V49-A86 HydrophobicContact CG1-CB 4.11Å; I53-A86 HydrophobicContact CD1-CB 3.35Å; F57-A86 WeakPolarHBondContact CZ-O 3.26Å; V60-A86 HydrophobicContact CB-CB 4.43Å; V60-A86 HydrophobicContact CG1-CB 3.63Å; V60-A86 HydrophobicContact CG2-CB 3.85Å
87A92.4Very high88.6Confident0 Ų067.3 Ų67.30%034%0.337CS..EExtended strand (participates in β ladder)trans-135.4146.5179.500000112N22 R61 N62 Y64N22-A87 HydrophobicContact CB-CB 3.85Å; R61-A87 PolarHBondContact N-O 2.77Å; N62-A87 PolarHBondContact N-O 3.37Å; N62-A87 PolarHBondContact O-N 3.23Å; Y64-A87 HydrophobicContact CD2-CB 3.75Å; Y64-A87 HydrophobicContact CE2-CB 3.6Å
88G90.2Very high88.4Confident2 Ų267.3 Ų67.32%0.02133%0.332CS..SBendtrans-91.8-122.6178.900000113.4F57 A59 E90F57-G88 VanDerWaalsContact CE2-N 3.27Å; A59-G88 VanDerWaalsContact O-CA 3.26Å; A59-G88 WeakPolarHBondContact O-CA 3.37Å; G88-E90 VanDerWaalsContact C-N 3.29Å
89K87.3Confident88Confident191 Ų19170.1 Ų70.183%0.8335%0.347SS*.SBendtrans-78-13.5173.1-166.9-175.7174.6-171.80112.9
90E87.4Confident87.5Confident49 Ų4965.6 Ų65.623%0.22933%0.326CS..SBendtrans-81.9158.5-177.850.5163.7-155.600113.8N22 F57 G88 K93N22-E90 WeakPolarHBondContact CB-OE1 3.48Å; N22-E90 VanDerWaalsContact ND2-CD 3.25Å; N22-E90 PolarHBondContact ND2-OE1 2.81Å; F57-E90 HydrophobicContact CB-CG 4.34Å; F57-E90 HydrophobicContact CD1-CG 4.44Å; F57-E90 WeakPolarHBondContact CD1-OE1 3.41Å; F57-E90 HydrophobicContact CG-CG 4.44Å; G88-E90 VanDerWaalsContact C-N 3.29Å; E90-K93 IonicContact OE1-NZ 3.37Å; E90-K93 WeakPolarHBondContact OE2-CE 3.43Å; E90-K93 IonicContact OE2-NZ 3.89Å; E90-K93 PolarHBondContact OE2-NZ 2.92Å
91K86.6Confident86.3Confident186 Ų18662.6 Ų62.681%0.80931%0.309SS*.PPolyproline II helixtrans-73.2153.1175.1-61.8-179.5-179.4179.20110.7N22 K93N22-K91 PolarHBondContact ND2-O 2.82Å; K91-K93 PolarHBondContact O-N 2.85Å
92F90.1Very high85Confident41 Ų4162.5 Ų62.518%0.1830%0.3CS..PPolyproline II helixtrans-59.3123.4172.9178.2-108.7000110.9N22 Y64 G69 V85 K94 Y97N22-F92 WeakPolarHBondContact OD1-CA 2.88Å; Y64-F92 HydrophobicContact CD1-CB 4.42Å; Y64-F92 HydrophobicContact CD2-CB 3.94Å; Y64-F92 AromaticContact CD2-CD2 3.91Å; Y64-F92 HydrophobicContact CD2-CD2 3.91Å; Y64-F92 HydrophobicContact CD2-CG 4.31Å; Y64-F92 HydrophobicContact CE1-CB 4.48Å; Y64-F92 HydrophobicContact CE2-CB 3.99Å; Y64-F92 HydrophobicContact CG-CB 4.15Å; Y64-F92 AromaticContact CG-CD2 3.87Å; Y64-F92 HydrophobicContact CG-CD2 3.87Å; Y64-F92 HydrophobicContact CG-CG 4.22Å; G69-F92 VanDerWaalsContact CA-CD1 3.44Å; V85-F92 HydrophobicContact CB-CE2 4.02Å; V85-F92 HydrophobicContact CG1-CD2 4.43Å; V85-F92 HydrophobicContact CG1-CE2 4.11Å; V85-F92 HydrophobicContact CG2-CE2 4.06Å; F92-K94 HydrophobicContact CD1-CG 4.3Å; F92-K94 HydrophobicContact CE1-CG 3.91Å; F92-Y97 AromaticContact CE2-CE2 3.83Å; F92-Y97 HydrophobicContact CE2-CE2 3.83Å; F92-Y97 AromaticContact CZ-CE2 3.96Å; F92-Y97 HydrophobicContact CZ-CE2 3.96Å
93K89.1Confident83.3Confident96 Ų9667.2 Ų67.242%0.41731%0.313SS..PPolyproline II helixtrans-96.9121.6174.3-69.4161.1-175.81630107.7N22 E90 K91 L95 Y97N22-K93 PolarHBondContact OD1-N 2.76Å; E90-K93 IonicContact OE1-NZ 3.37Å; E90-K93 WeakPolarHBondContact OE2-CE 3.43Å; E90-K93 IonicContact OE2-NZ 3.89Å; E90-K93 PolarHBondContact OE2-NZ 2.92Å; K91-K93 PolarHBondContact O-N 2.85Å; K93-L95 PolarHBondContact O-N 3.12Å; K93-Y97 VanDerWaalsContact O-CE2 3.26Å; K93-Y97 WeakPolarHBondContact O-CE2 3.24Å; K93-Y97 PolarHBondContact O-OH 2.93Å
94K87.3Confident81.6Confident183 Ų18372.4 Ų72.480%0.79634%0.335SS*.PPolyproline II helixtrans-69.6119.9173.2-65.5-179179.6-176.40108.7F92F92-K94 HydrophobicContact CD1-CG 4.3Å; F92-K94 HydrophobicContact CE1-CG 3.91Å
95L85.5Confident79.7Confident66 Ų6678.6 Ų78.635%0.34636%0.362SS..  trans-142.8160.6172.5-67176.6000107.7P25 K93 Y97P25-L95 HydrophobicContact CB-CD1 4.43Å; K93-L95 PolarHBondContact O-N 3.12Å; L95-Y97 HydrophobicContact CB-CD1 4.46Å; L95-Y97 HydrophobicContact CB-CD2 4.14Å; L95-Y97 HydrophobicContact CB-CE1 4.14Å; L95-Y97 HydrophobicContact CB-CE2 3.81Å; L95-Y97 HydrophobicContact CB-CG 4.45Å; L95-Y97 HydrophobicContact CD1-CE1 4.1Å; L95-Y97 WeakPolarHBondContact O-CD2 3.26Å; L95-Y97 PolarHBondContact O-N 2.87Å
96D85.4Confident77.8Confident133 Ų13384.4 Ų84.471%0.71138%0.384SS*.  trans-76.859.4175.6-57.9-47.9000111.4L98 D99D96-L98 PolarHBondContact O-N 3.34Å; D96-L98 VanDerWaalsContact O-N 3.08Å; D96-D99 HydrophobicContact CB-CB 4.35Å; D96-D99 PolarHBondContact O-N 3.32Å
97Y85.4Confident75.6Confident1 Ų192.3 Ų92.30%0.00442%0.423CS..G310 helixtrans-52.1-36.1-176.9-65-76.1000112.3F20 R21 N22 G23 P66 V85 F92 K93 L95 D99 I100F20-Y97 HydrophobicContact CB-CD1 3.75Å; F20-Y97 HydrophobicContact CB-CE1 4.3Å; F20-Y97 HydrophobicContact CD1-CD1 4.31Å; F20-Y97 HydrophobicContact CD2-CD1 4.43Å; F20-Y97 HydrophobicContact CD2-CG 4.46Å; F20-Y97 WeakPolarHBondContact CE1-O 3.49Å; F20-Y97 AromaticContact CG-CD1 3.94Å; F20-Y97 HydrophobicContact CG-CD1 3.94Å; F20-Y97 HydrophobicContact CG-CG 4.41Å; F20-Y97 WeakPolarHBondContact CZ-O 3.23Å; R21-Y97 WeakPolarHBondContact O-CE1 3.41Å; N22-Y97 PolarHBondContact OD1-OH 3.5Å; G23-Y97 PolarHBondContact N-OH 3.36Å; P66-Y97 HydrophobicContact CB-CD2 4.18Å; P66-Y97 HydrophobicContact CB-CG 4.4Å; V85-Y97 HydrophobicContact CG1-CD1 4.42Å; V85-Y97 HydrophobicContact CG1-CE1 3.87Å; V85-Y97 HydrophobicContact CG1-CE2 4.12Å; V85-Y97 HydrophobicContact CG2-CD1 4.07Å; V85-Y97 HydrophobicContact CG2-CD2 3.64Å; V85-Y97 HydrophobicContact CG2-CE1 4.27Å; V85-Y97 HydrophobicContact CG2-CE2 3.85Å; V85-Y97 HydrophobicContact CG2-CG 3.77Å; F92-Y97 AromaticContact CE2-CE2 3.83Å; F92-Y97 HydrophobicContact CE2-CE2 3.83Å; F92-Y97 AromaticContact CZ-CE2 3.96Å; F92-Y97 HydrophobicContact CZ-CE2 3.96Å; K93-Y97 VanDerWaalsContact O-CE2 3.26Å; K93-Y97 WeakPolarHBondContact O-CE2 3.24Å; K93-Y97 PolarHBondContact O-OH 2.93Å; L95-Y97 HydrophobicContact CB-CD1 4.46Å; L95-Y97 HydrophobicContact CB-CD2 4.14Å; L95-Y97 HydrophobicContact CB-CE1 4.14Å; L95-Y97 HydrophobicContact CB-CE2 3.81Å; L95-Y97 HydrophobicContact CB-CG 4.45Å; L95-Y97 HydrophobicContact CD1-CE1 4.1Å; L95-Y97 WeakPolarHBondContact O-CD2 3.26Å; L95-Y97 PolarHBondContact O-N 2.87Å; Y97-D99 PolarHBondContact O-N 3.4Å; Y97-D99 VanDerWaalsContact O-N 3.14Å; Y97-I100 HydrophobicContact CD1-CD1 3.87Å; Y97-I100 PolarHBondContact O-N 2.89Å; Y97-I100 VanDerWaalsContact O-N 3.17Å
98L82.9Confident73.6Confident56 Ų56100.8 Ų100.829%0.29347%0.465SS..G310 helixtrans-60.9-20.6177.2-54.7-176.9000114P66 R67 Q83 D96 T102P66-L98 HydrophobicContact CB-CD2 4.23Å; P66-L98 HydrophobicContact CG-CD2 3.89Å; R67-L98 HydrophobicContact CG-CD1 3.85Å; Q83-L98 VanDerWaalsContact OE1-CD2 3.29Å; D96-L98 PolarHBondContact O-N 3.34Å; D96-L98 VanDerWaalsContact O-N 3.08Å; L98-T102 WeakPolarHBondContact O-CG2 3.14Å
99D78.2Confident72Confident60 Ų60108.2 Ų108.232%0.32150%0.499SS..G310 helixtrans-100.2-11.5180-92.2-2.3000114.1D96 Y97 G101 T102 R106D96-D99 HydrophobicContact CB-CB 4.35Å; D96-D99 PolarHBondContact O-N 3.32Å; Y97-D99 PolarHBondContact O-N 3.4Å; Y97-D99 VanDerWaalsContact O-N 3.14Å; D99-G101 PolarHBondContact O-N 2.74Å; D99-T102 WeakPolarHBondContact CA-OG1 3.4Å; D99-T102 PolarHBondContact O-N 2.91Å; D99-T102 PolarHBondContact O-OG1 2.84Å; D99-T102 PolarHBondContact OD1-OG1 3.41Å; D99-R106 IonicContact OD1-CZ 2.71Å; D99-R106 IonicContact OD1-NH1 3.47Å; D99-R106 IonicContact OD1-NH2 3.46Å; D99-R106 PolarHBondContact OD1-NH2 3.35Å; D99-R106 IonicContact OD2-CZ 3.47Å; D99-R106 IonicContact OD2-NH2 2.64Å; D99-R106 PolarHBondContact OD2-NH2 2.69Å
100I75.9Confident69.9Low25 Ų25104.4 Ų104.413%0.12849%0.492CS..THydrogen-bonded Turntrans-67.8119.1173.9-54.8175.7000108.6F20 Y27 Y97 T102F20-I100 HydrophobicContact CD1-CB 4.45Å; F20-I100 HydrophobicContact CD1-CD1 4.45Å; F20-I100 HydrophobicContact CE1-CB 3.92Å; F20-I100 HydrophobicContact CE1-CG2 4.36Å; Y27-I100 WeakPolarHBondContact O-CG2 2.95Å; Y97-I100 HydrophobicContact CD1-CD1 3.87Å; Y97-I100 PolarHBondContact O-N 2.89Å; Y97-I100 VanDerWaalsContact O-N 3.17Å; I100-T102 VanDerWaalsContact C-N 3.26Å; I100-T102 PolarHBondContact O-N 3.28Å
101G62.7Low68.3Low20 Ų20109 Ų10921%0.20652%0.517CS..THydrogen-bonded Turntrans80.2-14.3-175.100000115.6D99D99-G101 PolarHBondContact O-N 2.74Å
102T59.8Low66.6Low40 Ų40106.8 Ų106.825%0.24552%0.522CS..Hα-helixtrans-76.9-27.4175.973.10000112.6L98 D99 I100 K104 K105 R106L98-T102 WeakPolarHBondContact O-CG2 3.14Å; D99-T102 WeakPolarHBondContact CA-OG1 3.4Å; D99-T102 PolarHBondContact O-N 2.91Å; D99-T102 PolarHBondContact O-OG1 2.84Å; D99-T102 PolarHBondContact OD1-OG1 3.41Å; I100-T102 VanDerWaalsContact C-N 3.26Å; I100-T102 PolarHBondContact O-N 3.28Å; T102-K104 VanDerWaalsContact C-N 3.32Å; T102-K104 PolarHBondContact O-N 2.97Å; T102-K105 CarbonylContact O-C 3.51Å; T102-K105 PolarHBondContact O-N 3.31Å; T102-R106 PolarHBondContact O-N 2.7Å; T102-R106 PolarHBondContact OG1-NH2 3.07Å
103R54.8Low64.8Low191 Ų191108.2 Ų108.272%0.72154%0.541SS*.Hα-helixtrans-55.9-42.5178.4-66.6-168.7-179.5-157.41.3112.7K105R103-K105 VanDerWaalsContact C-N 3.32Å; R103-K105 PolarHBondContact O-N 3.34Å
104K54.3Low63.2Low168 Ų168112.2 Ų112.273%0.7356%0.562SS**Hα-helixtrans-67.1-26.3174.3-91.2-176.8175.71740114.3T102T102-K104 VanDerWaalsContact C-N 3.32Å; T102-K104 PolarHBondContact O-N 2.97Å
105K53.8Low61.5Low143 Ų143108.2 Ų108.262%0.62256%0.563SS**Hα-helixtrans-89.6-33178.7-70.4177.7-179.51680113T102 R103 M107 M108 Q109T102-K105 CarbonylContact O-C 3.51Å; T102-K105 PolarHBondContact O-N 3.31Å; R103-K105 VanDerWaalsContact C-N 3.32Å; R103-K105 PolarHBondContact O-N 3.34Å; K105-M107 VanDerWaalsContact C-N 3.29Å; K105-M107 PolarHBondContact O-N 3.21Å; K105-M108 CarbonylContact O-C 3.6Å; K105-M108 WeakPolarHBondContact O-CA 3.34Å; K105-M108 PolarHBondContact O-N 3.26Å; K105-Q109 WeakPolarHBondContact O-CB 3.43Å; K105-Q109 PolarHBondContact O-N 3.27Å
106R50.9Low60.4Low121 Ų121115.5 Ų115.546%0.45759%0.586SS.*Hα-helixtrans-63.3-32.3177.7-80.7-167.4-80.4-174.5-4.1112.5D99 T102 M108 Q109 T110D99-R106 IonicContact OD1-CZ 2.71Å; D99-R106 IonicContact OD1-NH1 3.47Å; D99-R106 IonicContact OD1-NH2 3.46Å; D99-R106 PolarHBondContact OD1-NH2 3.35Å; D99-R106 IonicContact OD2-CZ 3.47Å; D99-R106 IonicContact OD2-NH2 2.64Å; D99-R106 PolarHBondContact OD2-NH2 2.69Å; T102-R106 PolarHBondContact O-N 2.7Å; T102-R106 PolarHBondContact OG1-NH2 3.07Å; R106-M108 PolarHBondContact O-N 3.11Å; R106-Q109 PolarHBondContact O-N 2.71Å; R106-T110 PolarHBondContact O-N 2.82Å
107M47.3Very low59.2Low167 Ų167115 Ų11582%0.82359%0.59SS**THydrogen-bonded Turntrans-61.4-10.5169.7-66.4-17378.900114.5K105K105-M107 VanDerWaalsContact C-N 3.29Å; K105-M107 PolarHBondContact O-N 3.21Å
108M50.3Low58Low177 Ų177122.5 Ų122.587%0.87263%0.629SS**THydrogen-bonded Turntrans-121.912.8174.2-62.1-171.9169.900112.5K105 R106K105-M108 CarbonylContact O-C 3.6Å; K105-M108 WeakPolarHBondContact O-CA 3.34Å; K105-M108 PolarHBondContact O-N 3.26Å; R106-M108 PolarHBondContact O-N 3.11Å
109Q56.2Low56.9Low159 Ų159125.5 Ų125.574%0.74365%0.652SS**  trans-146.436.9-174-153.1166.231.900113.3K105 R106 L111K105-Q109 WeakPolarHBondContact O-CB 3.43Å; K105-Q109 PolarHBondContact O-N 3.27Å; R106-Q109 PolarHBondContact O-N 2.71Å; Q109-L111 PolarHBondContact O-N 3.14Å
110T44.9Very low56.1Low111 Ų111131.6 Ų131.668%0.68168%0.678SS**  trans-84.9103.3167.746.50000111.3R106R106-T110 PolarHBondContact O-N 2.82Å
111L51.9Low55.3Low145 Ų145136.8 Ų136.876%0.75971%0.706SS**  trans69.7136.7162-55.5172000118.6Q109 A113Q109-L111 PolarHBondContact O-N 3.14Å; L111-A113 HydrophobicContact CB-CB 4.1Å; L111-A113 PolarHBondContact O-N 3.02Å
112P52.1Low55.4Low140 Ų140146 Ų14691%0.90974%0.735SS**  trans-77.562.6152.236-32.7000109.1
113A53Low55.8Low71 Ų71149.8 Ų149.859%0.58775%0.752SS**  trans-70.7138.7174.800000109.7L111 A115L111-A113 HydrophobicContact CB-CB 4.1Å; L111-A113 PolarHBondContact O-N 3.02Å; A113-A115 PolarHBondContact O-N 3.33Å
114Q54.5Low56.4Low180 Ų180147.8 Ų147.884%0.84176%0.755SS**  trans-49.6130.9174.5-75.8-74.41500110.4R116Q114-R116 PolarHBondContact O-N 2.72Å
115A51Low56.7Low99 Ų99142.8 Ų142.882%0.81874%0.738SS**  trans-74.266.8-17100000112.9A113A113-A115 PolarHBondContact O-N 3.33Å
116R64Low57.1Low219 Ų219138.7 Ų138.783%0.82673%0.727SS**PPolyproline II helixtrans-59.4128.3156.4-65.5-175.3-179.9-175.30.1106.9Q114 L118Q114-R116 PolarHBondContact O-N 2.72Å; R116-L118 PolarHBondContact O-N 3.19Å
117P60.3Low57.6Low123 Ų123137 Ų13780%0.79974%0.739SS**PPolyproline II helixtrans-57.8128.5170.925.1-32.5000108.1
118L58.5Low58.3Low158 Ų158139.5 Ų139.583%0.82774%0.739SS**PPolyproline II helixtrans-56.8136.6173.9-69171.3000108.1R116 Q120R116-L118 PolarHBondContact O-N 3.19Å; L118-Q120 PolarHBondContact O-N 3.19Å
119P60Low58.6Low119 Ų119138.9 Ų138.977%0.77373%0.732SS**PPolyproline II helixtrans-55.4121.5177.123.7-33000108.1N121P119-N121 PolarHBondContact O-N 2.72Å; P119-N121 VanDerWaalsContact O-N 3.07Å
120Q62.9Low58.8Low188 Ų188136.9 Ų136.988%0.87973%0.726SS**PPolyproline II helixtrans-54.9120.3-172.7-177.6170.7-14.200108.6L118 R122L118-Q120 PolarHBondContact O-N 3.19Å; Q120-R122 PolarHBondContact O-N 3.06Å
121N58.9Low59.7Low134 Ų134139.5 Ų139.572%0.71773%0.727SS**  trans-68.381.5-168.5-174.75.8000110.9P119 I123P119-N121 PolarHBondContact O-N 2.72Å; P119-N121 VanDerWaalsContact O-N 3.07Å; N121-I123 PolarHBondContact O-N 3.14Å
122R64.4Low60.4Low213 Ų213138.1 Ų138.180%0.80473%0.727SS**  trans-7483.3173.3-174.5178.7179.4168.8-0.4107.3Q120 I124Q120-R122 PolarHBondContact O-N 3.06Å; R122-I124 HydrophobicContact CG-CG1 4.29Å; R122-I124 WeakPolarHBondContact O-CG1 3.39Å; R122-I124 PolarHBondContact O-N 3.32Å
123I67.3Low61Low120 Ų120138.9 Ų138.962%0.61572%0.722SS**  trans-59.2102169.3-55.1175000106.9N121 V125N121-I123 PolarHBondContact O-N 3.14Å; I123-V125 HydrophobicContact CG2-CG1 4.47Å; I123-V125 HydrophobicContact CG2-CG2 4.29Å; I123-V125 PolarHBondContact O-N 3.43Å
124I67.4Low61.9Low149 Ų149140.7 Ų140.776%0.76472%0.717SS**  trans-78.171.3175.8-50.4-175.6000107.8R122 S126R122-I124 HydrophobicContact CG-CG1 4.29Å; R122-I124 WeakPolarHBondContact O-CG1 3.39Å; R122-I124 PolarHBondContact O-N 3.32Å; I124-S126 PolarHBondContact O-N 3.35Å
125V60.3Low63Low62 Ų62139.8 Ų139.838%0.37671%0.713SS.*  trans-63.9129.1165.3-109.40000108.1I123 F129 L130I123-V125 HydrophobicContact CG2-CG1 4.47Å; I123-V125 HydrophobicContact CG2-CG2 4.29Å; I123-V125 PolarHBondContact O-N 3.43Å; V125-F129 HydrophobicContact CB-CB 4.1Å; V125-F129 HydrophobicContact CG1-CB 3.81Å; V125-F129 HydrophobicContact CG1-CD1 4.05Å; V125-F129 HydrophobicContact CG1-CG 4.1Å; V125-L130 HydrophobicContact CG2-CD2 4.14Å
126S63.8Low64.5Low58 Ų58138 Ų13841%0.40669%0.693SS.*  trans-56.9149.817573.20000110.8I124 R128 F129 L130I124-S126 PolarHBondContact O-N 3.35Å; S126-R128 PolarHBondContact O-N 3.18Å; S126-F129 WeakPolarHBondContact O-CA 3.39Å; S126-F129 WeakPolarHBondContact O-CB 3.23Å; S126-F129 PolarHBondContact O-N 3.39Å; S126-L130 PolarHBondContact O-N 2.63Å
127A60.3Low65.6Low84 Ų84127.9 Ų127.969%0.69466%0.655SS**THydrogen-bonded Turntrans-56.4-26.4179.700000113.2F129 L130A127-F129 PolarHBondContact O-N 3.13Å; A127-L130 CarbonylContact O-C 3.36Å; A127-L130 WeakPolarHBondContact O-CA 3.31Å; A127-L130 PolarHBondContact O-N 3.31Å
128R62Low67Low220 Ų220123.8 Ų123.883%0.8363%0.628SS**THydrogen-bonded Turntrans-66.4-22.1173.9-60.6-171.1-68.5-146.83113.8S126S126-R128 PolarHBondContact O-N 3.18Å
129F57.4Low68.6Low165 Ų165116.3 Ų116.372%0.72459%0.589SS**THydrogen-bonded Turntrans-86.3-23.1170.3-112.7-99.7000112.6V125 S126 A127 K131V125-F129 HydrophobicContact CB-CB 4.1Å; V125-F129 HydrophobicContact CG1-CB 3.81Å; V125-F129 HydrophobicContact CG1-CD1 4.05Å; V125-F129 HydrophobicContact CG1-CG 4.1Å; S126-F129 WeakPolarHBondContact O-CA 3.39Å; S126-F129 WeakPolarHBondContact O-CB 3.23Å; S126-F129 PolarHBondContact O-N 3.39Å; A127-F129 PolarHBondContact O-N 3.13Å; F129-K131 PolarHBondContact O-N 2.99Å; F129-K131 VanDerWaalsContact O-N 3.07Å
130L58.9Low70.1Confident116 Ų116113.1 Ų113.161%0.60756%0.563SS**  trans-82.747.6170.8-60.8178.1000111.6V125 S126 A127V125-L130 HydrophobicContact CG2-CD2 4.14Å; S126-L130 PolarHBondContact O-N 2.63Å; A127-L130 CarbonylContact O-C 3.36Å; A127-L130 WeakPolarHBondContact O-CA 3.31Å; A127-L130 PolarHBondContact O-N 3.31Å
131K65.3Low71.4Confident166 Ų166104.2 Ų104.272%0.72252%0.521SS*.  trans-57.8123.5154.5-68.9-177.3-179.4-1790105.6F129 I133F129-K131 PolarHBondContact O-N 2.99Å; F129-K131 VanDerWaalsContact O-N 3.07Å; K131-I133 PolarHBondContact O-N 2.9Å
132P66.3Low72.9Confident117 Ų11798 Ų9876%0.7649%0.489SS*.  trans-54.9122.7-179.221.9-32.4000107.8K134P132-K134 VanDerWaalsContact C-N 3.33Å; P132-K134 PolarHBondContact O-N 2.93Å
133I64.1Low74.1Confident156 Ų15688.1 Ų88.180%0.845%0.452SS*.  trans-68.398.3-170.4-60.1177.5000106.6K131 E135K131-I133 PolarHBondContact O-N 2.9Å; I133-E135 WeakPolarHBondContact O-CG 3.34Å; I133-E135 PolarHBondContact O-N 3.46Å
134K71.6Confident75.1Confident109 Ų10983 Ų8347%0.47443%0.426SS..  trans-52.895.9-177-81.8-154164.2-164.20110.2P132 Q158P132-K134 VanDerWaalsContact C-N 3.33Å; P132-K134 PolarHBondContact O-N 2.93Å; K134-Q158 HydrophobicContact CB-CB 3.99Å; K134-Q158 HydrophobicContact CD-CB 4.26Å; K134-Q158 VanDerWaalsContact CD-OE1 3.26Å
135E77.5Confident75.9Confident161 Ų16177.3 Ų77.375%0.75240%0.404SS*.  trans-63.7132.3-166.5-66.2-161.4158.200110.5I133 C137I133-E135 WeakPolarHBondContact O-CG 3.34Å; I133-E135 PolarHBondContact O-N 3.46Å; E135-C137 PolarHBondContact O-N 3.46Å
136P83.3Confident76.9Confident61 Ų6175.8 Ų75.840%0.39639%0.394SS..  trans-78.5110-179.432.5-33.9000109.4T138 L155 I156P136-T138 PolarHBondContact O-N 3.31Å; P136-L155 HydrophobicContact CB-CD1 3.77Å; P136-L155 HydrophobicContact CB-CD2 4.39Å; P136-L155 HydrophobicContact CB-CG 4.03Å; P136-L155 HydrophobicContact CG-CD1 4.05Å; P136-L155 WeakPolarHBondContact O-CD1 3.44Å; P136-I156 CarbonylContact C-O 3.56Å; P136-I156 WeakPolarHBondContact CA-O 3.34Å
137C86.8Confident77.7Confident7 Ų776 Ų765%0.04739%0.393CS..EExtended strand (participates in β ladder)trans-64.3129.5-179.8-161.80000110.7E135 I156 M161 C202E135-C137 PolarHBondContact O-N 3.46Å; C137-I156 PolarHBondContact N-O 3.49Å; C137-I156 PolarHBondContact O-N 3.45Å; C137-M161 HydrophobicContact CB-CE 3.38Å; C137-C202 WeakPolarHBondContact CA-SG 3.31Å; C137-C202 HydrophobicContact CB-CB 4.22Å; C137-C202 WeakPolarHBondContact CB-SG 3.47Å; C137-C202 WeakPolarHBondContact SG-CA 3.37Å; C137-C202 WeakPolarHBondContact SG-CB 3.42Å; C137-C202 PolarHBondContact SG-N 3.02Å; C137-C202 CovalentContact SG-SG 2.05Å; C137-C202 PolarHBondContact SG-SG 2.89Å
138T90.3Very high78.5Confident37 Ų3777.9 Ų77.923%0.22739%0.391CS..EExtended strand (participates in β ladder)trans-92.7137.7169.252.50000109.5P136 L154 L155 C202 G203P136-T138 PolarHBondContact O-N 3.31Å; T138-L154 VanDerWaalsContact CA-O 3.3Å; T138-L154 WeakPolarHBondContact CA-O 3.39Å; T138-L155 HydrophobicContact CG2-CD1 3.41Å; T138-L155 VanDerWaalsContact CG2-CD1 3.41Å; T138-C202 CarbonylContact O-C 3.59Å; T138-C202 VanDerWaalsContact O-CA 3.32Å; T138-C202 WeakPolarHBondContact O-CA 3.49Å; T138-G203 PolarHBondContact O-N 3.22Å
139I91.6Very high79.5Confident0 Ų071.5 Ų71.50%037%0.373CS..EExtended strand (participates in β ladder)trans-127.8154170.966.5165.6000109.8V141 R153 L154 I156 I171 L200 Y206I139-V141 HydrophobicContact CD1-CG2 3.56Å; I139-V141 HydrophobicContact CG1-CG2 3.76Å; I139-R153 CarbonylContact O-C 3.54Å; I139-R153 WeakPolarHBondContact O-CA 3.4Å; I139-L154 HydrophobicContact CG1-CB 4.24Å; I139-L154 PolarHBondContact N-O 3.5Å; I139-L154 PolarHBondContact O-N 3.44Å; I139-I156 HydrophobicContact CD1-CD1 3.52Å; I139-I156 HydrophobicContact CG1-CD1 3.81Å; I139-I156 HydrophobicContact CG1-CG1 4.49Å; I139-I156 HydrophobicContact CG2-CD1 4.3Å; I139-I171 HydrophobicContact CD1-CD1 4.18Å; I139-L200 HydrophobicContact CD1-CD2 4.41Å; I139-L200 HydrophobicContact CG2-CB 4.43Å; I139-Y206 HydrophobicContact CB-CD2 4.04Å; I139-Y206 HydrophobicContact CB-CE2 4.21Å; I139-Y206 HydrophobicContact CD1-CD2 4.27Å; I139-Y206 HydrophobicContact CG2-CD2 4.29Å; I139-Y206 HydrophobicContact CG2-CE2 3.99Å
140F91.1Very high80.7Confident52 Ų5266.7 Ų66.723%0.22836%0.358CS..EExtended strand (participates in β ladder)trans-104.2129.5170.2-65.5-90.2000108.8A151 R153 G203 Q204 L205 Y206 L223F140-A151 HydrophobicContact CB-CB 4.17Å; F140-A151 HydrophobicContact CD1-CB 4.42Å; F140-R153 HydrophobicContact CD1-CB 3.78Å; F140-R153 HydrophobicContact CD1-CG 4.08Å; F140-R153 HydrophobicContact CE1-CB 3.64Å; F140-R153 HydrophobicContact CE1-CG 3.69Å; F140-R153 HydrophobicContact CZ-CB 4.44Å; F140-R153 HydrophobicContact CZ-CG 3.98Å; F140-G203 VanDerWaalsContact CD2-O 3.25Å; F140-G203 WeakPolarHBondContact CD2-O 3.31Å; F140-G203 WeakPolarHBondContact CE2-O 3.23Å; F140-Q204 PolarHBondContact N-O 3.38Å; F140-L205 HydrophobicContact CB-CD1 4.18Å; F140-L205 WeakPolarHBondContact O-CA 3.39Å; F140-Y206 PolarHBondContact O-N 3.07Å; F140-L223 HydrophobicContact CB-CD2 3.6Å; F140-L223 HydrophobicContact CD1-CD2 3.97Å; F140-L223 HydrophobicContact CD2-CD2 3.99Å; F140-L223 HydrophobicContact CG-CD2 3.59Å
141V90.9Very high82.1Confident1 Ų162 Ų621%0.00634%0.336CS..EExtended strand (participates in β ladder)trans-126.8130-176.7-150.70000110.9I139 M152 I171 M175 L186 Y206 A208I139-V141 HydrophobicContact CD1-CG2 3.56Å; I139-V141 HydrophobicContact CG1-CG2 3.76Å; V141-M152 PolarHBondContact N-O 3.42Å; V141-M152 VanDerWaalsContact O-CB 3.31Å; V141-M152 WeakPolarHBondContact O-CB 3.27Å; V141-M152 PolarHBondContact O-N 2.87Å; V141-I171 HydrophobicContact CG1-CG2 4.06Å; V141-I171 HydrophobicContact CG2-CD1 4.39Å; V141-M175 VanDerWaalsContact C-CE 3.47Å; V141-M175 HydrophobicContact CB-CE 3.49Å; V141-M175 VanDerWaalsContact CB-CE 3.49Å; V141-M175 HydrophobicContact CG1-CE 3.42Å; V141-M175 VanDerWaalsContact CG1-CE 3.42Å; V141-M175 WeakPolarHBondContact O-CE 3.43Å; V141-L186 HydrophobicContact CG1-CD2 4.03Å; V141-Y206 CarbonylContact C-O 3.48Å; V141-Y206 VanDerWaalsContact CA-O 3.31Å; V141-Y206 WeakPolarHBondContact CA-O 3.49Å; V141-A208 HydrophobicContact CG1-CB 3.85Å
142V90Very high83.2Confident5 Ų555.9 Ų55.93%0.0331%0.31CS..EExtended strand (participates in β ladder)trans-113.9146.3178.4166.50000109.6D146 A151 L205 Y206 V207 A208 Y219 L222V142-D146 WeakPolarHBondContact CG1-O 3.41Å; V142-A151 HydrophobicContact CG2-CB 3.59Å; V142-L205 HydrophobicContact CB-CD1 4.48Å; V142-L205 HydrophobicContact CG2-CD1 3.77Å; V142-Y206 PolarHBondContact N-O 3Å; V142-V207 CarbonylContact O-C 3.57Å; V142-V207 WeakPolarHBondContact O-CA 3.46Å; V142-A208 PolarHBondContact O-N 2.82Å; V142-Y219 HydrophobicContact CB-CD1 4.49Å; V142-Y219 HydrophobicContact CG1-CD1 3.53Å; V142-Y219 HydrophobicContact CG1-CE1 3.84Å; V142-Y219 HydrophobicContact CG1-CG 4.29Å; V142-L222 HydrophobicContact CB-CD1 4.31Å; V142-L222 HydrophobicContact CG1-CD1 3.54Å; V142-L222 HydrophobicContact CG2-CB 4.15Å; V142-L222 HydrophobicContact CG2-CD1 3.75Å
143A89.6Confident84.3Confident4 Ų457.9 Ų57.93%0.03330%0.303CS..EExtended strand (participates in β ladder)trans-75.7136.617400000110.8G145 D146 M175 R178 V179A143-G145 PolarHBondContact O-N 2.99Å; A143-D146 HydrophobicContact CB-CB 3.95Å; A143-D146 WeakPolarHBondContact O-CB 3.48Å; A143-D146 PolarHBondContact O-N 2.85Å; A143-M175 HydrophobicContact CB-SD 3.96Å; A143-R178 HydrophobicContact CB-CB 3.88Å; A143-R178 WeakPolarHBondContact CB-O 3.47Å; A143-V179 HydrophobicContact CB-CG2 3.71Å
144N88.7Confident85.6Confident12 Ų1251.2 Ų51.26%0.06427%0.269CS..THydrogen-bonded Turntrans-55.1131.6177.2-170.564.9000111.6D146 V207 A208 V209 E212 R213 F214 K215N144-D146 VanDerWaalsContact C-N 3.25Å; N144-D146 PolarHBondContact O-N 2.71Å; N144-V207 HydrophobicContact CB-CG1 3.99Å; N144-A208 WeakPolarHBondContact CB-O 3.39Å; N144-A208 PolarHBondContact N-O 3.35Å; N144-A208 VanDerWaalsContact N-O 3.07Å; N144-V209 HydrophobicContact CB-CG2 4.06Å; N144-E212 PolarHBondContact ND2-OE2 2.67Å; N144-R213 PolarHBondContact ND2-O 2.77Å; N144-F214 WeakPolarHBondContact OD1-CA 3.32Å; N144-K215 PolarHBondContact OD1-N 2.76Å
145G83.3Confident86.5Confident30 Ų3050.5 Ų50.531%0.30927%0.269SS..THydrogen-bonded Turntrans80-11.2-176.300000115.8A143 V147 Y219A143-G145 PolarHBondContact O-N 2.99Å; G145-V147 PolarHBondContact O-N 2.78Å; G145-Y219 PolarHBondContact N-OH 3.36Å
146D82.9Confident87.1Confident30 Ų3042.8 Ų42.816%0.1623%0.234CC..  trans-92.8103.3-177.4-169.5-12.7000111.8V142 A143 N144 L148 N149 L222V142-D146 WeakPolarHBondContact CG1-O 3.41Å; A143-D146 HydrophobicContact CB-CB 3.95Å; A143-D146 WeakPolarHBondContact O-CB 3.48Å; A143-D146 PolarHBondContact O-N 2.85Å; N144-D146 VanDerWaalsContact C-N 3.25Å; N144-D146 PolarHBondContact O-N 2.71Å; D146-L148 PolarHBondContact OD1-N 2.88Å; D146-N149 PolarHBondContact OD1-N 2.99Å; D146-N149 WeakPolarHBondContact OD2-CB 3.33Å; D146-N149 PolarHBondContact OD2-ND2 3.26Å; D146-L222 VanDerWaalsContact O-CD1 3.3Å; D146-L222 WeakPolarHBondContact O-CD1 3.15Å
147V80.3Confident87.3Confident63 Ų6343.2 Ų43.238%0.38223%0.23SC..  trans-104.114.8172.5-65.80000113.1G145 L217 Y219G145-V147 PolarHBondContact O-N 2.78Å; V147-L217 HydrophobicContact CG1-CB 3.76Å; V147-L217 HydrophobicContact CG1-CD1 3.83Å; V147-L217 HydrophobicContact CG1-CG 4.36Å; V147-Y219 HydrophobicContact CG1-CD1 4.26Å; V147-Y219 HydrophobicContact CG1-CE1 4.27Å
148L76.8Confident87Confident124 Ų12446.7 Ų46.765%0.64925%0.246SC*.SBendtrans-113.5-29-175.5-61.6-179.6000112.8D146 K228D146-L148 PolarHBondContact OD1-N 2.88Å; L148-K228 PolarHBondContact O-NZ 2.99Å
149N82.7Confident86.6Confident85 Ų8553.3 Ų53.346%0.45527%0.267SS..SBendtrans-95.9139.7175.2-66.6-55.2000112D146D146-N149 PolarHBondContact OD1-N 2.99Å; D146-N149 WeakPolarHBondContact OD2-CB 3.33Å; D146-N149 PolarHBondContact OD2-ND2 3.26Å
150P82.4Confident86.1Confident65 Ų6555.5 Ų55.542%0.42228%0.277SS..PPolyproline II helixtrans-68.7156.4-178.431-36.8000112M152 T225P150-M152 PolarHBondContact O-N 3.26Å; P150-T225 HydrophobicContact CB-CG2 4.13Å
151A88Confident85.7Confident17 Ų1754.1 Ų54.114%0.1427%0.272CS..PPolyproline II helixtrans-61.9128.9-178.700000112.2F140 V142 R153 L205 L222 L223F140-A151 HydrophobicContact CB-CB 4.17Å; F140-A151 HydrophobicContact CD1-CB 4.42Å; V142-A151 HydrophobicContact CG2-CB 3.59Å; A151-R153 PolarHBondContact O-N 3.15Å; A151-L205 HydrophobicContact CB-CD1 4.18Å; A151-L222 HydrophobicContact CB-CB 4.29Å; A151-L222 PolarHBondContact N-O 3.05Å; A151-L222 VanDerWaalsContact N-O 3.09Å; A151-L223 HydrophobicContact CB-CD2 3.99Å
152M88.2Confident85.4Confident37 Ų3760.2 Ų60.218%0.18230%0.304CS..EExtended strand (participates in β ladder)trans-83.5109.7-176.9-174.9-179.972.900110.4V141 P150 L154 K174 M175 R178V141-M152 PolarHBondContact N-O 3.42Å; V141-M152 VanDerWaalsContact O-CB 3.31Å; V141-M152 WeakPolarHBondContact O-CB 3.27Å; V141-M152 PolarHBondContact O-N 2.87Å; P150-M152 PolarHBondContact O-N 3.26Å; M152-L154 PolarHBondContact O-N 2.89Å; M152-K174 HydrophobicContact CE-CB 3.64Å; M152-K174 HydrophobicContact SD-CB 3.79Å; M152-M175 HydrophobicContact CE-CE 4.07Å; M152-M175 HydrophobicContact CE-CG 3.57Å; M152-M175 HydrophobicContact SD-CG 4.32Å; M152-R178 PolarHBondContact SD-NH1 3.03Å; M152-R178 VanDerWaalsContact SD-NH1 3.35Å
153R90.4Very high85.3Confident160 Ų16065.3 Ų65.360%0.60433%0.328SS*.EExtended strand (participates in β ladder)trans-73.7117.2174.3-166.8-179.965.892.63.5110.9I139 F140 A151I139-R153 CarbonylContact O-C 3.54Å; I139-R153 WeakPolarHBondContact O-CA 3.4Å; F140-R153 HydrophobicContact CD1-CB 3.78Å; F140-R153 HydrophobicContact CD1-CG 4.08Å; F140-R153 HydrophobicContact CE1-CB 3.64Å; F140-R153 HydrophobicContact CE1-CG 3.69Å; F140-R153 HydrophobicContact CZ-CB 4.44Å; F140-R153 HydrophobicContact CZ-CG 3.98Å; A151-R153 PolarHBondContact O-N 3.15Å
154L90.4Very high85.3Confident16 Ų1666.5 Ų66.58%0.08433%0.332CS..EExtended strand (participates in β ladder)trans-110.2155175.3-172.259.9000110.5T138 I139 M152 M170 I171 K174T138-L154 VanDerWaalsContact CA-O 3.3Å; T138-L154 WeakPolarHBondContact CA-O 3.39Å; I139-L154 HydrophobicContact CG1-CB 4.24Å; I139-L154 PolarHBondContact N-O 3.5Å; I139-L154 PolarHBondContact O-N 3.44Å; M152-L154 PolarHBondContact O-N 2.89Å; L154-M170 HydrophobicContact CD1-CG 4.35Å; L154-M170 HydrophobicContact CD1-SD 4.33Å; L154-M170 HydrophobicContact CD2-CE 4.1Å; L154-M170 HydrophobicContact CD2-CG 4.39Å; L154-M170 HydrophobicContact CG-CE 4.41Å; L154-I171 HydrophobicContact CD2-CB 4.4Å; L154-I171 HydrophobicContact CD2-CD1 4.28Å; L154-I171 HydrophobicContact CD2-CG1 3.32Å; L154-K174 HydrophobicContact CD1-CG 3.98Å
155L91.2Very high85.4Confident93 Ų9373.8 Ų73.849%0.48737%0.366SS..EExtended strand (participates in β ladder)trans-117.2114.7175.7-174.672.8000108.9P136 T138P136-L155 HydrophobicContact CB-CD1 3.77Å; P136-L155 HydrophobicContact CB-CD2 4.39Å; P136-L155 HydrophobicContact CB-CG 4.03Å; P136-L155 HydrophobicContact CG-CD1 4.05Å; P136-L155 WeakPolarHBondContact O-CD1 3.44Å; T138-L155 HydrophobicContact CG2-CD1 3.41Å; T138-L155 VanDerWaalsContact CG2-CD1 3.41Å
156I89.3Confident85.7Confident0 Ų078.6 Ų78.60%038%0.375CS..EExtended strand (participates in β ladder)trans-103.4117.5178.2-60.1170.8000108.1P136 C137 I139 M160 M161 I167 M170 L200P136-I156 CarbonylContact C-O 3.56Å; P136-I156 WeakPolarHBondContact CA-O 3.34Å; C137-I156 PolarHBondContact N-O 3.49Å; C137-I156 PolarHBondContact O-N 3.45Å; I139-I156 HydrophobicContact CD1-CD1 3.52Å; I139-I156 HydrophobicContact CG1-CD1 3.81Å; I139-I156 HydrophobicContact CG1-CG1 4.49Å; I139-I156 HydrophobicContact CG2-CD1 4.3Å; I156-M160 HydrophobicContact CG2-CB 4.43Å; I156-M160 HydrophobicContact CG2-CE 4.37Å; I156-M161 HydrophobicContact CB-CE 4.19Å; I156-M161 HydrophobicContact CG2-CE 3.83Å; I156-M161 HydrophobicContact CG2-SD 3.73Å; I156-I167 HydrophobicContact CD1-CD1 4.28Å; I156-I167 HydrophobicContact CD1-CG1 4.41Å; I156-I167 HydrophobicContact CD1-CG2 3.6Å; I156-I167 HydrophobicContact CG1-CG2 4.37Å; I156-I167 HydrophobicContact CG2-CD1 3.73Å; I156-I167 HydrophobicContact CG2-CG1 3.96Å; I156-M170 HydrophobicContact CG1-CE 3.87Å; I156-L200 HydrophobicContact CD1-CD1 3.81Å
157H87.4Confident86.1Confident70 Ų7077.2 Ų77.232%0.32437%0.367SS..  trans-74.5134.6173.2-175.151.1000110.1R159 M160H157-R159 PolarHBondContact CD2-NE 2.84Å; H157-R159 PolarHBondContact CD2-NH2 2.89Å; H157-R159 PolarHBondContact NE2-NE 3.11Å; H157-R159 PolarHBondContact NE2-NH2 3.38Å; H157-R159 VanDerWaalsContact NE2-NH2 3.11Å; H157-R159 PolarHBondContact O-N 3.03Å; H157-M160 HydrophobicContact CB-CE 4.27Å; H157-M160 PolarHBondContact O-N 3.44Å
158Q81.3Confident86.5Confident79 Ų7975.1 Ų75.137%0.36935%0.354SS..G310 helixtrans-58.7-25.1-167.9-153.5-17521.200114.5K134 M160 M161K134-Q158 HydrophobicContact CB-CB 3.99Å; K134-Q158 HydrophobicContact CD-CB 4.26Å; K134-Q158 VanDerWaalsContact CD-OE1 3.26Å; Q158-M160 PolarHBondContact O-N 3.16Å; Q158-M160 VanDerWaalsContact O-N 3.1Å; Q158-M161 HydrophobicContact CG-CG 4.21Å; Q158-M161 WeakPolarHBondContact O-CB 3.45Å; Q158-M161 PolarHBondContact O-N 3.47Å; Q158-M161 VanDerWaalsContact O-N 3.11Å
159R82.2Confident87.2Confident177 Ų17774.3 Ų74.367%0.66835%0.347SS*.G310 helixtrans-61.8-9.4171.8-73.6-171.9-71.2146.9-0.1114.9H157H157-R159 PolarHBondContact CD2-NE 2.84Å; H157-R159 PolarHBondContact CD2-NH2 2.89Å; H157-R159 PolarHBondContact NE2-NE 3.11Å; H157-R159 PolarHBondContact NE2-NH2 3.38Å; H157-R159 VanDerWaalsContact NE2-NH2 3.11Å; H157-R159 PolarHBondContact O-N 3.03Å
160M82.1Confident87.6Confident46 Ų4671.8 Ų71.823%0.22733%0.333CS..G310 helixtrans-104.5-5.6176.6-57.3-171.8-58.900112.7I156 H157 Q158 D162 Q163 I167 M170I156-M160 HydrophobicContact CG2-CB 4.43Å; I156-M160 HydrophobicContact CG2-CE 4.37Å; H157-M160 HydrophobicContact CB-CE 4.27Å; H157-M160 PolarHBondContact O-N 3.44Å; Q158-M160 PolarHBondContact O-N 3.16Å; Q158-M160 VanDerWaalsContact O-N 3.1Å; M160-D162 PolarHBondContact O-N 3.14Å; M160-Q163 CarbonylContact O-C 3.59Å; M160-Q163 PolarHBondContact O-N 2.74Å; M160-I167 HydrophobicContact CB-CG1 4.26Å; M160-I167 VanDerWaalsContact O-CD1 3.23Å; M160-I167 WeakPolarHBondContact O-CD1 3.42Å; M160-M170 HydrophobicContact CE-CE 3.51Å; M160-M170 HydrophobicContact CE-SD 3.96Å
161M81.9Confident87.9Confident22 Ų2268.7 Ų68.711%0.10831%0.313CS..THydrogen-bonded Turntrans-64.9-31.4177.5-66.8-56.9-162.700112.1C137 I156 Q158 Q163 I167 G197 L200C137-M161 HydrophobicContact CB-CE 3.38Å; I156-M161 HydrophobicContact CB-CE 4.19Å; I156-M161 HydrophobicContact CG2-CE 3.83Å; I156-M161 HydrophobicContact CG2-SD 3.73Å; Q158-M161 HydrophobicContact CG-CG 4.21Å; Q158-M161 WeakPolarHBondContact O-CB 3.45Å; Q158-M161 PolarHBondContact O-N 3.47Å; Q158-M161 VanDerWaalsContact O-N 3.11Å; M161-Q163 PolarHBondContact O-N 3.4Å; M161-I167 HydrophobicContact SD-CD1 3.79Å; M161-G197 WeakPolarHBondContact O-CA 3.46Å; M161-G197 PolarHBondContact O-N 3.23Å; M161-L200 HydrophobicContact CE-CB 4.19Å; M161-L200 HydrophobicContact SD-CB 4.41Å; M161-L200 HydrophobicContact SD-CD1 4.09Å
162D83.7Confident88.1Confident130 Ų13069.9 Ų69.970%0.69532%0.318SS*.THydrogen-bonded Turntrans-69.7-11.4174.4-43.5-55.1000112.3M160M160-D162 PolarHBondContact O-N 3.14Å
163Q89Confident88.1Confident112 Ų11274.3 Ų74.352%0.52334%0.338SS..  trans-127.471.7-177.4-66.2-173.5-19.200110.8M160 M161 E165 R166 I167M160-Q163 CarbonylContact O-C 3.59Å; M160-Q163 PolarHBondContact O-N 2.74Å; M161-Q163 PolarHBondContact O-N 3.4Å; Q163-E165 VanDerWaalsContact C-N 3.27Å; Q163-E165 PolarHBondContact O-N 3.23Å; Q163-R166 HydrophobicContact CB-CB 3.83Å; Q163-R166 WeakPolarHBondContact O-CA 3.37Å; Q163-R166 VanDerWaalsContact O-CB 3.25Å; Q163-R166 WeakPolarHBondContact O-CB 3.47Å; Q163-R166 PolarHBondContact O-N 2.75Å; Q163-I167 PolarHBondContact O-N 3.1Å
164F89.3Confident87.9Confident28 Ų2871 Ų7112%0.12333%0.328CS..Hα-helixtrans-57.6-36.4-176.4-172.1-109000113.5R166 I167 L168 L186 V194 A195 L200F164-R166 VanDerWaalsContact C-N 3.27Å; F164-R166 PolarHBondContact O-N 2.88Å; F164-I167 WeakPolarHBondContact O-CA 3.34Å; F164-I167 WeakPolarHBondContact O-CB 3.45Å; F164-I167 PolarHBondContact O-N 3.35Å; F164-L168 HydrophobicContact CD1-CD1 3.94Å; F164-L168 HydrophobicContact CD1-CG 4.1Å; F164-L168 HydrophobicContact CE1-CD1 3.78Å; F164-L168 HydrophobicContact CE1-CD2 3.86Å; F164-L168 HydrophobicContact CE1-CG 3.87Å; F164-L168 HydrophobicContact CZ-CD2 3.97Å; F164-L168 HydrophobicContact CZ-CG 4.34Å; F164-L168 PolarHBondContact O-N 3.08Å; F164-L186 HydrophobicContact CE2-CD1 4.07Å; F164-L186 HydrophobicContact CZ-CB 4.28Å; F164-L186 HydrophobicContact CZ-CD1 4.06Å; F164-L186 HydrophobicContact CZ-CG 4.11Å; F164-V194 WeakPolarHBondContact CE1-O 3.24Å; F164-V194 HydrophobicContact CE2-CG1 3.73Å; F164-V194 HydrophobicContact CZ-CB 4.34Å; F164-V194 HydrophobicContact CZ-CG1 3.9Å; F164-V194 WeakPolarHBondContact CZ-O 3.42Å; F164-A195 WeakPolarHBondContact CD1-O 3.25Å; F164-A195 VanDerWaalsContact CG-O 3.27Å; F164-A195 WeakPolarHBondContact CG-O 3.22Å; F164-L200 HydrophobicContact CD2-CD1 4.43Å; F164-L200 HydrophobicContact CE2-CD1 4.17Å; F164-L200 HydrophobicContact CE2-CG 4.5Å
165E90.3Very high87.5Confident166 Ų16670.6 Ų70.678%0.77633%0.326SS*.Hα-helixtrans-59.2-36.7173.9-61.8-175.2167.500112.7Q163 I167 L168 E169Q163-E165 VanDerWaalsContact C-N 3.27Å; Q163-E165 PolarHBondContact O-N 3.23Å; E165-I167 VanDerWaalsContact C-N 3.3Å; E165-I167 PolarHBondContact O-N 2.96Å; E165-L168 WeakPolarHBondContact O-CB 3.5Å; E165-L168 PolarHBondContact O-N 3.31Å; E165-E169 PolarHBondContact O-N 3.09Å
166R90.3Very high86.9Confident131 Ų13167.9 Ų67.949%0.49432%0.321SS..Hα-helixtrans-67.7-32.4175.4-158.776.1-149-92.45112Q163 F164 E169 M170Q163-R166 HydrophobicContact CB-CB 3.83Å; Q163-R166 WeakPolarHBondContact O-CA 3.37Å; Q163-R166 VanDerWaalsContact O-CB 3.25Å; Q163-R166 WeakPolarHBondContact O-CB 3.47Å; Q163-R166 PolarHBondContact O-N 2.75Å; F164-R166 VanDerWaalsContact C-N 3.27Å; F164-R166 PolarHBondContact O-N 2.88Å; R166-E169 IonicContact CZ-OE2 3.3Å; R166-E169 IonicContact NE-OE2 2.88Å; R166-E169 PolarHBondContact NE-OE2 2.76Å; R166-E169 IonicContact NH2-OE2 3.8Å; R166-E169 PolarHBondContact NH2-OE2 3.06Å; R166-E169 VanDerWaalsContact NH2-OE2 3.14Å; R166-M170 WeakPolarHBondContact O-CB 3.46Å; R166-M170 PolarHBondContact O-N 3.04Å
167I90.3Very high86.1Confident0 Ų076.6 Ų76.60%037%0.366CS..Hα-helixtrans-68.7-42.8171.7-65.6168.9000110.1I156 M160 M161 Q163 F164 E165 M170 I171 L200I156-I167 HydrophobicContact CD1-CD1 4.28Å; I156-I167 HydrophobicContact CD1-CG1 4.41Å; I156-I167 HydrophobicContact CD1-CG2 3.6Å; I156-I167 HydrophobicContact CG1-CG2 4.37Å; I156-I167 HydrophobicContact CG2-CD1 3.73Å; I156-I167 HydrophobicContact CG2-CG1 3.96Å; M160-I167 HydrophobicContact CB-CG1 4.26Å; M160-I167 VanDerWaalsContact O-CD1 3.23Å; M160-I167 WeakPolarHBondContact O-CD1 3.42Å; M161-I167 HydrophobicContact SD-CD1 3.79Å; Q163-I167 PolarHBondContact O-N 3.1Å; F164-I167 WeakPolarHBondContact O-CA 3.34Å; F164-I167 WeakPolarHBondContact O-CB 3.45Å; F164-I167 PolarHBondContact O-N 3.35Å; E165-I167 VanDerWaalsContact C-N 3.3Å; E165-I167 PolarHBondContact O-N 2.96Å; I167-M170 PolarHBondContact O-N 3.01Å; I167-I171 HydrophobicContact CG2-CD1 3.67Å; I167-I171 HydrophobicContact CG2-CG1 4.34Å; I167-I171 WeakPolarHBondContact O-CB 3.41Å; I167-I171 WeakPolarHBondContact O-CG1 3.3Å; I167-I171 PolarHBondContact O-N 3.07Å; I167-L200 HydrophobicContact CD1-CD1 3.98Å; I167-L200 HydrophobicContact CG2-CD1 4.18Å
168L90.5Very high85.5Confident19 Ų1979.2 Ų79.210%0.09937%0.373CS..Hα-helixtrans-62.8-40.4175.2-63.9177000112.4F164 E165 I171 T172 V183 L186F164-L168 HydrophobicContact CD1-CD1 3.94Å; F164-L168 HydrophobicContact CD1-CG 4.1Å; F164-L168 HydrophobicContact CE1-CD1 3.78Å; F164-L168 HydrophobicContact CE1-CD2 3.86Å; F164-L168 HydrophobicContact CE1-CG 3.87Å; F164-L168 HydrophobicContact CZ-CD2 3.97Å; F164-L168 HydrophobicContact CZ-CG 4.34Å; F164-L168 PolarHBondContact O-N 3.08Å; E165-L168 WeakPolarHBondContact O-CB 3.5Å; E165-L168 PolarHBondContact O-N 3.31Å; L168-I171 PolarHBondContact O-N 3.34Å; L168-T172 WeakPolarHBondContact O-CB 3.22Å; L168-T172 PolarHBondContact O-N 3.11Å; L168-T172 PolarHBondContact O-OG1 3.32Å; L168-V183 HydrophobicContact CD2-CG1 4.09Å; L168-L186 HydrophobicContact CD2-CD1 4.49Å; L168-L186 HydrophobicContact CD2-CD2 4.29Å; L168-L186 HydrophobicContact CD2-CG 3.86Å
169E91.2Very high85.4Confident108 Ų10875.9 Ų75.951%0.50536%0.358SS..Hα-helixtrans-58.7-53.3171.8-175.2-166.6-130.100110.6E165 R166 I171 T172 E173E165-E169 PolarHBondContact O-N 3.09Å; R166-E169 IonicContact CZ-OE2 3.3Å; R166-E169 IonicContact NE-OE2 2.88Å; R166-E169 PolarHBondContact NE-OE2 2.76Å; R166-E169 IonicContact NH2-OE2 3.8Å; R166-E169 PolarHBondContact NH2-OE2 3.06Å; R166-E169 VanDerWaalsContact NH2-OE2 3.14Å; E169-I171 VanDerWaalsContact C-N 3.32Å; E169-I171 PolarHBondContact O-N 2.82Å; E169-T172 CarbonylContact O-C 3.55Å; E169-T172 WeakPolarHBondContact O-CA 3.42Å; E169-T172 WeakPolarHBondContact O-CB 3.5Å; E169-T172 PolarHBondContact O-N 2.91Å; E169-E173 PolarHBondContact O-N 3.22Å
170M89.6Confident85.1Confident32 Ų3273 Ų7316%0.15836%0.356CS..Hα-helixtrans-61-38.4-179.9179.3175.553.100112.6L154 I156 M160 R166 I167 E173 K174L154-M170 HydrophobicContact CD1-CG 4.35Å; L154-M170 HydrophobicContact CD1-SD 4.33Å; L154-M170 HydrophobicContact CD2-CE 4.1Å; L154-M170 HydrophobicContact CD2-CG 4.39Å; L154-M170 HydrophobicContact CG-CE 4.41Å; I156-M170 HydrophobicContact CG1-CE 3.87Å; M160-M170 HydrophobicContact CE-CE 3.51Å; M160-M170 HydrophobicContact CE-SD 3.96Å; R166-M170 WeakPolarHBondContact O-CB 3.46Å; R166-M170 PolarHBondContact O-N 3.04Å; I167-M170 PolarHBondContact O-N 3.01Å; M170-E173 PolarHBondContact O-N 3.37Å; M170-K174 WeakPolarHBondContact O-CG 3.33Å; M170-K174 PolarHBondContact O-N 3.13Å; M170-K174 VanDerWaalsContact O-N 3.09Å
171I90.6Very high84.9Confident0 Ų072.9 Ų72.90%037%0.366CS..Hα-helixtrans-67-40.5174.3-65.9166.4000110.1I139 V141 L154 I167 L168 E169 K174 M175 V183 L186 A208I139-I171 HydrophobicContact CD1-CD1 4.18Å; V141-I171 HydrophobicContact CG1-CG2 4.06Å; V141-I171 HydrophobicContact CG2-CD1 4.39Å; L154-I171 HydrophobicContact CD2-CB 4.4Å; L154-I171 HydrophobicContact CD2-CD1 4.28Å; L154-I171 HydrophobicContact CD2-CG1 3.32Å; I167-I171 HydrophobicContact CG2-CD1 3.67Å; I167-I171 HydrophobicContact CG2-CG1 4.34Å; I167-I171 WeakPolarHBondContact O-CB 3.41Å; I167-I171 WeakPolarHBondContact O-CG1 3.3Å; I167-I171 PolarHBondContact O-N 3.07Å; L168-I171 PolarHBondContact O-N 3.34Å; E169-I171 VanDerWaalsContact C-N 3.32Å; E169-I171 PolarHBondContact O-N 2.82Å; I171-K174 PolarHBondContact O-N 3.03Å; I171-M175 HydrophobicContact CG2-CE 4.21Å; I171-M175 HydrophobicContact CG2-CG 4.14Å; I171-M175 VanDerWaalsContact O-CB 3.32Å; I171-M175 WeakPolarHBondContact O-CB 3.32Å; I171-M175 WeakPolarHBondContact O-CG 3.3Å; I171-M175 PolarHBondContact O-N 3.08Å; I171-V183 HydrophobicContact CG2-CG1 4.43Å; I171-V183 HydrophobicContact CG2-CG2 4.01Å; I171-L186 HydrophobicContact CD1-CD1 3.61Å; I171-L186 HydrophobicContact CD1-CD2 3.82Å; I171-L186 HydrophobicContact CD1-CG 4.22Å; I171-A208 HydrophobicContact CG2-CB 4.3Å
172T90.6Very high85.1Confident41 Ų4172.8 Ų72.825%0.25237%0.371SS..Hα-helixtrans-61.9-42.1174.9-59.80000111.5L168 E169 K174 M175 G176 V183L168-T172 WeakPolarHBondContact O-CB 3.22Å; L168-T172 PolarHBondContact O-N 3.11Å; L168-T172 PolarHBondContact O-OG1 3.32Å; E169-T172 CarbonylContact O-C 3.55Å; E169-T172 WeakPolarHBondContact O-CA 3.42Å; E169-T172 WeakPolarHBondContact O-CB 3.5Å; E169-T172 PolarHBondContact O-N 2.91Å; T172-K174 VanDerWaalsContact C-N 3.35Å; T172-K174 PolarHBondContact O-N 3.15Å; T172-M175 PolarHBondContact O-N 3.39Å; T172-G176 WeakPolarHBondContact O-CA 3.43Å; T172-G176 PolarHBondContact O-N 2.71Å; T172-V183 VanDerWaalsContact OG1-CB 3.31Å; T172-V183 WeakPolarHBondContact OG1-CB 3.48Å; T172-V183 PolarHBondContact OG1-N 3.38Å
173E89.8Confident85.4Confident131 Ų13167.1 Ų67.161%0.61234%0.341SS*.Hα-helixtrans-63.1-38.9176.1-163.5-130.5126.500111.8E169 M170E169-E173 PolarHBondContact O-N 3.22Å; M170-E173 PolarHBondContact O-N 3.37Å
174K85Confident85.3Confident90 Ų9069 Ų6939%0.39134%0.343SS..Hα-helixtrans-84.8-21.7-179.3-59.6-18.2-171.3-158.90114.1M152 L154 M170 I171 T172 R178M152-K174 HydrophobicContact CE-CB 3.64Å; M152-K174 HydrophobicContact SD-CB 3.79Å; L154-K174 HydrophobicContact CD1-CG 3.98Å; M170-K174 WeakPolarHBondContact O-CG 3.33Å; M170-K174 PolarHBondContact O-N 3.13Å; M170-K174 VanDerWaalsContact O-N 3.09Å; I171-K174 PolarHBondContact O-N 3.03Å; T172-K174 VanDerWaalsContact C-N 3.35Å; T172-K174 PolarHBondContact O-N 3.15Å; K174-R178 PolarHBondContact O-NH1 3.17Å
175M82.3Confident85.3Confident7 Ų768.8 Ų68.83%0.03435%0.346CS..Hα-helixtrans-88.5-34.4172.5-72.4-131.9-171.900113.4V141 A143 M152 I171 T172 L177 R178 V179 A208V141-M175 VanDerWaalsContact C-CE 3.47Å; V141-M175 HydrophobicContact CB-CE 3.49Å; V141-M175 VanDerWaalsContact CB-CE 3.49Å; V141-M175 HydrophobicContact CG1-CE 3.42Å; V141-M175 VanDerWaalsContact CG1-CE 3.42Å; V141-M175 WeakPolarHBondContact O-CE 3.43Å; A143-M175 HydrophobicContact CB-SD 3.96Å; M152-M175 HydrophobicContact CE-CE 4.07Å; M152-M175 HydrophobicContact CE-CG 3.57Å; M152-M175 HydrophobicContact SD-CG 4.32Å; I171-M175 HydrophobicContact CG2-CE 4.21Å; I171-M175 HydrophobicContact CG2-CG 4.14Å; I171-M175 VanDerWaalsContact O-CB 3.32Å; I171-M175 WeakPolarHBondContact O-CB 3.32Å; I171-M175 WeakPolarHBondContact O-CG 3.3Å; I171-M175 PolarHBondContact O-N 3.08Å; T172-M175 PolarHBondContact O-N 3.39Å; M175-L177 PolarHBondContact O-N 3.49Å; M175-R178 HydrophobicContact CB-CB 4.44Å; M175-R178 WeakPolarHBondContact O-CG 3.04Å; M175-R178 PolarHBondContact O-N 2.93Å; M175-V179 HydrophobicContact SD-CG2 3.7Å; M175-A208 HydrophobicContact CE-CB 3.61Å; M175-A208 HydrophobicContact SD-CB 3.88Å
176G77.8Confident85.3Confident37 Ų3760.9 Ų60.938%0.38131%0.309SS..G310 helixtrans50.5-130.7-171.700000111.9T172 R178T172-G176 WeakPolarHBondContact O-CA 3.43Å; T172-G176 PolarHBondContact O-N 2.71Å; G176-R178 PolarHBondContact O-N 2.78Å
177L72.5Confident85.3Confident182 Ų18256.9 Ų56.995%0.95329%0.294SS*.G310 helixtrans-67.1-0.8-175.9-56.5177.1000115.3M175 V179M175-L177 PolarHBondContact O-N 3.49Å; L177-V179 PolarHBondContact O-N 3.34Å
178R75.1Confident85.3Confident125 Ų12557.8 Ų57.847%0.47230%0.299SS..G310 helixtrans-66.1-23.5176.2-64.3-178.4-152.1123.116.4113.3A143 M152 K174 M175 G176A143-R178 HydrophobicContact CB-CB 3.88Å; A143-R178 WeakPolarHBondContact CB-O 3.47Å; M152-R178 PolarHBondContact SD-NH1 3.03Å; M152-R178 VanDerWaalsContact SD-NH1 3.35Å; K174-R178 PolarHBondContact O-NH1 3.17Å; M175-R178 HydrophobicContact CB-CB 4.44Å; M175-R178 WeakPolarHBondContact O-CG 3.04Å; M175-R178 PolarHBondContact O-N 2.93Å; G176-R178 PolarHBondContact O-N 2.78Å
179V80.1Confident85.1Confident9 Ų960.9 Ų60.96%0.05531%0.31CS..SBendtrans-117.7121.7179.91800000110A143 M175 L177 G181 G182 V183 A208A143-V179 HydrophobicContact CB-CG2 3.71Å; M175-V179 HydrophobicContact SD-CG2 3.7Å; L177-V179 PolarHBondContact O-N 3.34Å; V179-G181 PolarHBondContact O-N 3.38Å; V179-G182 PolarHBondContact O-N 2.85Å; V179-V183 HydrophobicContact CB-CG2 4.07Å; V179-V183 HydrophobicContact CG1-CG2 4.15Å; V179-V183 HydrophobicContact CG2-CG2 4.07Å; V179-A208 HydrophobicContact CG2-CB 3.9Å
180L75.3Confident84.7Confident117 Ų11759.6 Ų59.661%0.61330%0.304SS*.THydrogen-bonded Turntrans-59.8108.4-175.6-74.2164.8000111.9R211L180-R211 PolarHBondContact O-N 2.98Å
181G77.6Confident84.4Confident43 Ų4359.3 Ų59.344%0.44331%0.31SS..THydrogen-bonded Turntrans78.725.2177.400000115.6V179V179-G181 PolarHBondContact O-N 3.38Å
182G86.1Confident84.3Confident21 Ų2165.1 Ų65.122%0.21634%0.337CS..SBendtrans79.6165.3-179.100000113V179 G210V179-G182 PolarHBondContact O-N 2.85Å; G182-G210 WeakPolarHBondContact O-CA 3.36Å
183V89.9Confident84.3Confident10 Ų1068.3 Ų68.36%0.06135%0.349CS..  trans-85.8123.5-178.1-168.90000109.8L168 I171 T172 V179 L186 A208L168-V183 HydrophobicContact CD2-CG1 4.09Å; I171-V183 HydrophobicContact CG2-CG1 4.43Å; I171-V183 HydrophobicContact CG2-CG2 4.01Å; T172-V183 VanDerWaalsContact OG1-CB 3.31Å; T172-V183 WeakPolarHBondContact OG1-CB 3.48Å; T172-V183 PolarHBondContact OG1-N 3.38Å; V179-V183 HydrophobicContact CB-CG2 4.07Å; V179-V183 HydrophobicContact CG1-CG2 4.15Å; V179-V183 HydrophobicContact CG2-CG2 4.07Å; V183-L186 HydrophobicContact CG1-CD2 3.99Å; V183-A208 HydrophobicContact CB-CB 4.41Å; V183-A208 HydrophobicContact CG1-CB 3.66Å; V183-A208 HydrophobicContact CG2-CB 3.8Å
184R87.6Confident84.2Confident152 Ų15262.3 Ų62.357%0.57432%0.321SS*.  trans-115.1-18.2-176.3-65.2-176.5168.3-128.9-14.7113.1V209R184-V209 PolarHBondContact N-O 3.43Å
185S89.1Confident84.1Confident24 Ų2460.7 Ų60.717%0.16832%0.324CS..EExtended strand (participates in β ladder)trans-158.5152.8174.9-75.40000110.1Q193 V209S185-Q193 PolarHBondContact OG-NE2 3.3Å; S185-V209 PolarHBondContact N-O 3.29Å; S185-V209 PolarHBondContact O-N 3.05Å
186L90.6Very high84.2Confident0 Ų063.5 Ų63.50%034%0.34CS..EExtended strand (participates in β ladder)trans-103.7146.2167.5-59.1178.2000109.1V141 F164 L168 I171 V183 V194 L200 V207 A208V141-L186 HydrophobicContact CG1-CD2 4.03Å; F164-L186 HydrophobicContact CE2-CD1 4.07Å; F164-L186 HydrophobicContact CZ-CB 4.28Å; F164-L186 HydrophobicContact CZ-CD1 4.06Å; F164-L186 HydrophobicContact CZ-CG 4.11Å; L168-L186 HydrophobicContact CD2-CD1 4.49Å; L168-L186 HydrophobicContact CD2-CD2 4.29Å; L168-L186 HydrophobicContact CD2-CG 3.86Å; I171-L186 HydrophobicContact CD1-CD1 3.61Å; I171-L186 HydrophobicContact CD1-CD2 3.82Å; I171-L186 HydrophobicContact CD1-CG 4.22Å; V183-L186 HydrophobicContact CG1-CD2 3.99Å; L186-V194 HydrophobicContact CB-CB 4.18Å; L186-V194 PolarHBondContact O-N 3.01Å; L186-L200 HydrophobicContact CD1-CD2 3.96Å; L186-V207 WeakPolarHBondContact CA-O 3.32Å; L186-A208 HydrophobicContact CD2-CB 4.22Å
187Y90.2Very high84.3Confident46 Ų4662 Ų6218%0.1832%0.323CS..EExtended strand (participates in β ladder)trans-125.9147.4172.3-73.7-106000108.7G191 H192 Q193 Y206 V207 V209 F214Y187-G191 WeakPolarHBondContact CD1-O 3.28Å; Y187-H192 CarbonylContact C-O 3.45Å; Y187-H192 VanDerWaalsContact CA-O 3.26Å; Y187-H192 WeakPolarHBondContact CA-O 3.32Å; Y187-Q193 HydrophobicContact CD1-CB 4.02Å; Y187-Q193 HydrophobicContact CE1-CB 3.64Å; Y187-Q193 HydrophobicContact CE1-CG 4.05Å; Y187-Q193 HydrophobicContact CE2-CB 4.46Å; Y187-Q193 HydrophobicContact CE2-CG 3.99Å; Y187-Y206 CarbonylContact O-C 3.34Å; Y187-Y206 VanDerWaalsContact O-CA 3.23Å; Y187-Y206 WeakPolarHBondContact O-CA 3.48Å; Y187-V207 PolarHBondContact N-O 2.73Å; Y187-V207 PolarHBondContact O-N 2.91Å; Y187-V209 HydrophobicContact CD2-CB 3.8Å; Y187-V209 HydrophobicContact CD2-CG1 4.44Å; Y187-V209 HydrophobicContact CD2-CG2 3.38Å; Y187-V209 HydrophobicContact CE2-CB 3.86Å; Y187-V209 HydrophobicContact CE2-CG1 4.07Å; Y187-V209 HydrophobicContact CE2-CG2 3.85Å; Y187-V209 HydrophobicContact CG-CG2 4.18Å; Y187-F214 HydrophobicContact CD1-CB 4.02Å; Y187-F214 HydrophobicContact CD1-CD2 4.11Å; Y187-F214 AromaticContact CD1-CG 3.96Å; Y187-F214 HydrophobicContact CD1-CG 3.96Å; Y187-F214 HydrophobicContact CD2-CB 4.38Å; Y187-F214 HydrophobicContact CD2-CD2 4.37Å; Y187-F214 HydrophobicContact CE1-CB 4.11Å; Y187-F214 HydrophobicContact CE2-CB 4.47Å; Y187-F214 HydrophobicContact CG-CB 4.17Å; Y187-F214 AromaticContact CG-CD2 3.76Å; Y187-F214 HydrophobicContact CG-CD2 3.76Å; Y187-F214 HydrophobicContact CG-CE2 4.4Å; Y187-F214 HydrophobicContact CG-CG 4.06Å
188T91Very high84.7Confident20 Ų2058.9 Ų58.912%0.12332%0.317CS..EExtended strand (participates in β ladder)trans-66.8163.6165.264.90000110.1E190 G191 H192 V194 Y206T188-E190 PolarHBondContact O-N 2.82Å; T188-E190 PolarHBondContact OG1-N 3.37Å; T188-G191 PolarHBondContact O-N 3.42Å; T188-G191 PolarHBondContact OG1-N 2.05Å; T188-H192 HydrophobicContact CG2-CB 4.18Å; T188-H192 PolarHBondContact N-O 2.9Å; T188-H192 WeakPolarHBondContact OG1-CB 3.08Å; T188-H192 PolarHBondContact OG1-N 3.46Å; T188-H192 VanDerWaalsContact OG1-N 3.13Å; T188-V194 HydrophobicContact CG2-CG2 4.49Å; T188-Y206 HydrophobicContact CG2-CD1 4.28Å; T188-Y206 HydrophobicContact CG2-CE1 3.91Å
189Y85.3Confident85.2Confident84 Ų8458.5 Ų58.533%0.32932%0.319SS..THydrogen-bonded Turntrans-54.2-21.717070.3-82.4000113.4
190E83.1Confident85.3Confident80 Ų8058.6 Ų58.637%0.37432%0.319SS..THydrogen-bonded Turntrans-80.9-26.9178.6-53.9179.8151.800113.2T188 H192 K216T188-E190 PolarHBondContact O-N 2.82Å; T188-E190 PolarHBondContact OG1-N 3.37Å; E190-H192 IonicContact OE2-CE1 3.14Å; E190-H192 PolarHBondContact OE2-CE1 2.99Å; E190-H192 VanDerWaalsContact OE2-CE1 3.3Å; E190-H192 IonicContact OE2-ND1 2.7Å; E190-H192 PolarHBondContact OE2-ND1 3.35Å; E190-K216 VanDerWaalsContact O-CE 3.3Å; E190-K216 WeakPolarHBondContact O-CE 3.45Å; E190-K216 PolarHBondContact O-NZ 3.31Å
191G83.9Confident85.8Confident27 Ų2759 Ų5928%0.27832%0.318SS..SBendtrans109.810.8-174.400000115.6Y187 T188Y187-G191 WeakPolarHBondContact CD1-O 3.28Å; T188-G191 PolarHBondContact O-N 3.42Å; T188-G191 PolarHBondContact OG1-N 2.05Å
192H87.8Confident86.1Confident121 Ų12161.3 Ų61.356%0.5633%0.326SS*.PPolyproline II helixtrans-80.3121.3175-62.4120.7000110.6Y187 T188 E190Y187-H192 CarbonylContact C-O 3.45Å; Y187-H192 VanDerWaalsContact CA-O 3.26Å; Y187-H192 WeakPolarHBondContact CA-O 3.32Å; T188-H192 HydrophobicContact CG2-CB 4.18Å; T188-H192 PolarHBondContact N-O 2.9Å; T188-H192 WeakPolarHBondContact OG1-CB 3.08Å; T188-H192 PolarHBondContact OG1-N 3.46Å; T188-H192 VanDerWaalsContact OG1-N 3.13Å; E190-H192 IonicContact OE2-CE1 3.14Å; E190-H192 PolarHBondContact OE2-CE1 2.99Å; E190-H192 VanDerWaalsContact OE2-CE1 3.3Å; E190-H192 IonicContact OE2-ND1 2.7Å; E190-H192 PolarHBondContact OE2-ND1 3.35Å
193Q89.4Confident86Confident109 Ų10962 Ų6251%0.50933%0.333SS..EExtended strand (participates in β ladder)trans-71.4129.7178-168.6177.83.100110.8S185 Y187S185-Q193 PolarHBondContact OG-NE2 3.3Å; Y187-Q193 HydrophobicContact CD1-CB 4.02Å; Y187-Q193 HydrophobicContact CE1-CB 3.64Å; Y187-Q193 HydrophobicContact CE1-CG 4.05Å; Y187-Q193 HydrophobicContact CE2-CB 4.46Å; Y187-Q193 HydrophobicContact CE2-CG 3.99Å
194V88.9Confident86Confident5 Ų564.1 Ų64.13%0.0334%0.342CS..EExtended strand (participates in β ladder)trans-97122.8172178.90000108.4F164 L186 T188 D196 K199 L200 Y206F164-V194 WeakPolarHBondContact CE1-O 3.24Å; F164-V194 HydrophobicContact CE2-CG1 3.73Å; F164-V194 HydrophobicContact CZ-CB 4.34Å; F164-V194 HydrophobicContact CZ-CG1 3.9Å; F164-V194 WeakPolarHBondContact CZ-O 3.42Å; L186-V194 HydrophobicContact CB-CB 4.18Å; L186-V194 PolarHBondContact O-N 3.01Å; T188-V194 HydrophobicContact CG2-CG2 4.49Å; V194-D196 WeakPolarHBondContact CG1-O 3.49Å; V194-K199 HydrophobicContact CG1-CB 4.03Å; V194-L200 HydrophobicContact CG1-CD2 3.87Å; V194-L200 HydrophobicContact CG1-CG 4.19Å; V194-Y206 HydrophobicContact CG2-CD1 3.92Å; V194-Y206 HydrophobicContact CG2-CE1 3.64Å
195A83.3Confident86.1Confident55 Ų5557 Ų5746%0.45532%0.316SS..  trans-110-13.9175.400000113.2F164F164-A195 WeakPolarHBondContact CD1-O 3.25Å; F164-A195 VanDerWaalsContact CG-O 3.27Å; F164-A195 WeakPolarHBondContact CG-O 3.22Å
196D84.4Confident86.1Confident67 Ų6756 Ų5636%0.35831%0.308SS..SBendtrans-133.3143.6-168.2-41.4-83.4000110.9V194 S198 K199V194-D196 WeakPolarHBondContact CG1-O 3.49Å; D196-S198 PolarHBondContact O-N 2.89Å; D196-K199 HydrophobicContact CB-CD 4.41Å; D196-K199 PolarHBondContact O-N 2.81Å; D196-K199 VanDerWaalsContact O-N 3.1Å; D196-K199 WeakPolarHBondContact OD2-CD 3.42Å; D196-K199 VanDerWaalsContact OD2-CE 3.23Å; D196-K199 WeakPolarHBondContact OD2-CE 3.3Å; D196-K199 IonicContact OD2-NZ 3.87Å; D196-K199 PolarHBondContact OD2-NZ 3.06Å
197G79.7Confident86.1Confident4 Ų456 Ų564%0.04131%0.308CS..G310 helixtrans-61.8-26.7173.500000113.5M161 K199 L200M161-G197 WeakPolarHBondContact O-CA 3.46Å; M161-G197 PolarHBondContact O-N 3.23Å; G197-K199 PolarHBondContact O-N 2.8Å; G197-L200 WeakPolarHBondContact O-CB 3.37Å; G197-L200 PolarHBondContact O-N 3.08Å
198S81.1Confident86.2Confident117 Ų11753.8 Ų53.882%0.81830%0.3SS*.G310 helixtrans-65.5-13.8175.4-49.90000114.4D196D196-S198 PolarHBondContact O-N 2.89Å
199K84.1Confident86.2Confident118 Ų11853 Ų5351%0.51330%0.295SS..G310 helixtrans-102.79.1175.7-66.6166.3-175.61600112.2V194 D196 G197 Y206V194-K199 HydrophobicContact CG1-CB 4.03Å; D196-K199 HydrophobicContact CB-CD 4.41Å; D196-K199 PolarHBondContact O-N 2.81Å; D196-K199 VanDerWaalsContact O-N 3.1Å; D196-K199 WeakPolarHBondContact OD2-CD 3.42Å; D196-K199 VanDerWaalsContact OD2-CE 3.23Å; D196-K199 WeakPolarHBondContact OD2-CE 3.3Å; D196-K199 IonicContact OD2-NZ 3.87Å; D196-K199 PolarHBondContact OD2-NZ 3.06Å; G197-K199 PolarHBondContact O-N 2.8Å; K199-Y206 PolarHBondContact O-OH 3.49Å; K199-Y206 VanDerWaalsContact O-OH 3.12Å
200L83.8Confident86.4Confident10 Ų1049.6 Ų49.65%0.05229%0.285CS..  trans-94.3104.7172.6-65.8177000110.4I139 I156 M161 F164 I167 L186 V194 G197 Y206I139-L200 HydrophobicContact CD1-CD2 4.41Å; I139-L200 HydrophobicContact CG2-CB 4.43Å; I156-L200 HydrophobicContact CD1-CD1 3.81Å; M161-L200 HydrophobicContact CE-CB 4.19Å; M161-L200 HydrophobicContact SD-CB 4.41Å; M161-L200 HydrophobicContact SD-CD1 4.09Å; F164-L200 HydrophobicContact CD2-CD1 4.43Å; F164-L200 HydrophobicContact CE2-CD1 4.17Å; F164-L200 HydrophobicContact CE2-CG 4.5Å; I167-L200 HydrophobicContact CD1-CD1 3.98Å; I167-L200 HydrophobicContact CG2-CD1 4.18Å; L186-L200 HydrophobicContact CD1-CD2 3.96Å; V194-L200 HydrophobicContact CG1-CD2 3.87Å; V194-L200 HydrophobicContact CG1-CG 4.19Å; G197-L200 WeakPolarHBondContact O-CB 3.37Å; G197-L200 PolarHBondContact O-N 3.08Å; L200-Y206 WeakPolarHBondContact CA-OH 3.15Å; L200-Y206 HydrophobicContact CD2-CD1 4.29Å; L200-Y206 HydrophobicContact CD2-CD2 4.17Å; L200-Y206 HydrophobicContact CD2-CE1 4.02Å; L200-Y206 HydrophobicContact CD2-CE2 3.87Å; L200-Y206 HydrophobicContact CD2-CG 4.36Å
201E83.9Confident86.4Confident125 Ų12554.9 Ų54.958%0.58430%0.302SS*.  trans-85.8145.5177.9-64.3179.415600111.4Q204 Y206E201-Q204 HydrophobicContact CB-CB 3.74Å; E201-Q204 HydrophobicContact CB-CG 4.19Å; E201-Q204 WeakPolarHBondContact O-CB 3.45Å; E201-Q204 PolarHBondContact O-N 3.48Å; E201-Y206 PolarHBondContact N-OH 2.91Å
202C84.3Confident86.5Confident93 Ų9356.2 Ų56.263%0.62830%0.3SS*.THydrogen-bonded Turntrans-86.7123.5-171.9-48.80000111.6C137 T138C137-C202 WeakPolarHBondContact CA-SG 3.31Å; C137-C202 HydrophobicContact CB-CB 4.22Å; C137-C202 WeakPolarHBondContact CB-SG 3.47Å; C137-C202 WeakPolarHBondContact SG-CA 3.37Å; C137-C202 WeakPolarHBondContact SG-CB 3.42Å; C137-C202 PolarHBondContact SG-N 3.02Å; C137-C202 CovalentContact SG-SG 2.05Å; C137-C202 PolarHBondContact SG-SG 2.89Å; T138-C202 CarbonylContact O-C 3.59Å; T138-C202 VanDerWaalsContact O-CA 3.32Å; T138-C202 WeakPolarHBondContact O-CA 3.49Å
203G84.4Confident86.2Confident35 Ų3561 Ų6136%0.36131%0.313SS..THydrogen-bonded Turntrans93.3-2.9-169.500000113.9T138 F140T138-G203 PolarHBondContact O-N 3.22Å; F140-G203 VanDerWaalsContact CD2-O 3.25Å; F140-G203 WeakPolarHBondContact CD2-O 3.31Å; F140-G203 WeakPolarHBondContact CE2-O 3.23Å
204Q89.5Confident86.2Confident54 Ų5458 Ų5825%0.25230%0.299SS..  trans-89.5154.9-168-168.35120.600114.2F140 E201 Y206F140-Q204 PolarHBondContact N-O 3.38Å; E201-Q204 HydrophobicContact CB-CB 3.74Å; E201-Q204 HydrophobicContact CB-CG 4.19Å; E201-Q204 WeakPolarHBondContact O-CB 3.45Å; E201-Q204 PolarHBondContact O-N 3.48Å; Q204-Y206 HydrophobicContact CB-CE2 3.82Å; Q204-Y206 HydrophobicContact CG-CE2 4.1Å
205L89.3Confident86Confident3 Ų362.1 Ų62.12%0.01632%0.316CS..EExtended strand (participates in β ladder)trans-95124.6-177.2178.262.6000113F140 V142 A151 L223F140-L205 HydrophobicContact CB-CD1 4.18Å; F140-L205 WeakPolarHBondContact O-CA 3.39Å; V142-L205 HydrophobicContact CB-CD1 4.48Å; V142-L205 HydrophobicContact CG2-CD1 3.77Å; A151-L205 HydrophobicContact CB-CD1 4.18Å; L205-L223 HydrophobicContact CB-CD1 4.1Å; L205-L223 HydrophobicContact CB-CD2 4.21Å; L205-L223 HydrophobicContact CB-CG 4.44Å; L205-L223 HydrophobicContact CD1-CD2 4.04Å; L205-L223 HydrophobicContact CD1-CG 4.39Å; L205-L223 HydrophobicContact CD2-CD1 4Å; L205-L223 HydrophobicContact CD2-CG 4.06Å; L205-L223 HydrophobicContact CG-CD2 4.48Å
206Y90.8Very high86Confident2 Ų266.3 Ų66.31%0.00832%0.324CS..EExtended strand (participates in β ladder)trans-123.3156175.7-59.6-80.4000112I139 F140 V141 V142 Y187 T188 V194 K199 L200 E201 Q204I139-Y206 HydrophobicContact CB-CD2 4.04Å; I139-Y206 HydrophobicContact CB-CE2 4.21Å; I139-Y206 HydrophobicContact CD1-CD2 4.27Å; I139-Y206 HydrophobicContact CG2-CD2 4.29Å; I139-Y206 HydrophobicContact CG2-CE2 3.99Å; F140-Y206 PolarHBondContact O-N 3.07Å; V141-Y206 CarbonylContact C-O 3.48Å; V141-Y206 VanDerWaalsContact CA-O 3.31Å; V141-Y206 WeakPolarHBondContact CA-O 3.49Å; V142-Y206 PolarHBondContact N-O 3Å; Y187-Y206 CarbonylContact O-C 3.34Å; Y187-Y206 VanDerWaalsContact O-CA 3.23Å; Y187-Y206 WeakPolarHBondContact O-CA 3.48Å; T188-Y206 HydrophobicContact CG2-CD1 4.28Å; T188-Y206 HydrophobicContact CG2-CE1 3.91Å; V194-Y206 HydrophobicContact CG2-CD1 3.92Å; V194-Y206 HydrophobicContact CG2-CE1 3.64Å; K199-Y206 PolarHBondContact O-OH 3.49Å; K199-Y206 VanDerWaalsContact O-OH 3.12Å; L200-Y206 WeakPolarHBondContact CA-OH 3.15Å; L200-Y206 HydrophobicContact CD2-CD1 4.29Å; L200-Y206 HydrophobicContact CD2-CD2 4.17Å; L200-Y206 HydrophobicContact CD2-CE1 4.02Å; L200-Y206 HydrophobicContact CD2-CE2 3.87Å; L200-Y206 HydrophobicContact CD2-CG 4.36Å; E201-Y206 PolarHBondContact N-OH 2.91Å; Q204-Y206 HydrophobicContact CB-CE2 3.82Å; Q204-Y206 HydrophobicContact CG-CE2 4.1Å
207V90.4Very high86Confident0 Ų066.2 Ų66.20%032%0.324CS..EExtended strand (participates in β ladder)trans-116121178.6-176.50000107.9V142 N144 L186 Y187 V209 F214 Y219V142-V207 CarbonylContact O-C 3.57Å; V142-V207 WeakPolarHBondContact O-CA 3.46Å; N144-V207 HydrophobicContact CB-CG1 3.99Å; L186-V207 WeakPolarHBondContact CA-O 3.32Å; Y187-V207 PolarHBondContact N-O 2.73Å; Y187-V207 PolarHBondContact O-N 2.91Å; V207-V209 HydrophobicContact CG1-CG2 4.31Å; V207-V209 PolarHBondContact O-N 2.98Å; V207-F214 HydrophobicContact CB-CD2 4.31Å; V207-F214 HydrophobicContact CB-CE2 3.93Å; V207-F214 HydrophobicContact CG1-CD2 4.2Å; V207-F214 HydrophobicContact CG1-CE2 4.11Å; V207-F214 HydrophobicContact CG2-CE2 3.98Å; V207-Y219 HydrophobicContact CB-CE2 4.44Å; V207-Y219 HydrophobicContact CG1-CE2 4.02Å; V207-Y219 HydrophobicContact CG2-CD2 3.47Å; V207-Y219 VanDerWaalsContact CG2-CD2 3.47Å; V207-Y219 HydrophobicContact CG2-CE2 3.57Å; V207-Y219 HydrophobicContact CG2-CG 4.06Å
208A91.9Very high86.1Confident0 Ų070 Ų700%035%0.348CS..EExtended strand (participates in β ladder)trans-81.7111.9178.800000110.1V141 V142 N144 I171 M175 V179 V183 L186V141-A208 HydrophobicContact CG1-CB 3.85Å; V142-A208 PolarHBondContact O-N 2.82Å; N144-A208 WeakPolarHBondContact CB-O 3.39Å; N144-A208 PolarHBondContact N-O 3.35Å; N144-A208 VanDerWaalsContact N-O 3.07Å; I171-A208 HydrophobicContact CG2-CB 4.3Å; M175-A208 HydrophobicContact CE-CB 3.61Å; M175-A208 HydrophobicContact SD-CB 3.88Å; V179-A208 HydrophobicContact CG2-CB 3.9Å; V183-A208 HydrophobicContact CB-CB 4.41Å; V183-A208 HydrophobicContact CG1-CB 3.66Å; V183-A208 HydrophobicContact CG2-CB 3.8Å; L186-A208 HydrophobicContact CD2-CB 4.22Å
209V90.6Very high86Confident5 Ų564.5 Ų64.53%0.0331%0.309CS..EExtended strand (participates in β ladder)trans-109.1135.1-177.5179.50000109.1N144 R184 S185 Y187 V207 E212 F214N144-V209 HydrophobicContact CB-CG2 4.06Å; R184-V209 PolarHBondContact N-O 3.43Å; S185-V209 PolarHBondContact N-O 3.29Å; S185-V209 PolarHBondContact O-N 3.05Å; Y187-V209 HydrophobicContact CD2-CB 3.8Å; Y187-V209 HydrophobicContact CD2-CG1 4.44Å; Y187-V209 HydrophobicContact CD2-CG2 3.38Å; Y187-V209 HydrophobicContact CE2-CB 3.86Å; Y187-V209 HydrophobicContact CE2-CG1 4.07Å; Y187-V209 HydrophobicContact CE2-CG2 3.85Å; Y187-V209 HydrophobicContact CG-CG2 4.18Å; V207-V209 HydrophobicContact CG1-CG2 4.31Å; V207-V209 PolarHBondContact O-N 2.98Å; V209-E212 WeakPolarHBondContact CG1-O 3.38Å; V209-F214 HydrophobicContact CG2-CB 4.14Å; V209-F214 HydrophobicContact CG2-CD2 4.05Å
210G88.9Confident85.6Confident11 Ų1161.4 Ų61.411%0.11330%0.302CS..SBendtrans-113.3-119.6-173.600000113.4G182G182-G210 WeakPolarHBondContact O-CA 3.36Å
211R83.9Confident85.4Confident192 Ų19266.1 Ų66.173%0.72533%0.327SS*.SBendtrans-77.2-13167.2-63.7-178.5-177.2-168.80.1113L180L180-R211 PolarHBondContact O-N 2.98Å
212E85.3Confident85Confident54 Ų5460.6 Ų60.625%0.25230%0.302SS..SBendtrans-81.5160.3176.7-158.9-177.4-164.200111.5N144 V209 K215N144-E212 PolarHBondContact ND2-OE2 2.67Å; V209-E212 WeakPolarHBondContact CG1-O 3.38Å; E212-K215 WeakPolarHBondContact OE1-CE 3.26Å; E212-K215 IonicContact OE1-NZ 3.64Å; E212-K215 PolarHBondContact OE1-NZ 3.35Å
213R83.1Confident84.3Confident221 Ų22159 Ų5983%0.83429%0.287SS*.PPolyproline II helixtrans-85.8147.6170-64.5176.466.2-167.60110.6N144 K215N144-R213 PolarHBondContact ND2-O 2.77Å; R213-K215 PolarHBondContact O-N 2.89Å
214F87.8Confident83.4Confident47 Ų4765.4 Ų65.421%0.20631%0.305CS..PPolyproline II helixtrans-53.7124.9176.1175.5-102.8000111.7N144 Y187 V207 V209 K216 Y219N144-F214 WeakPolarHBondContact OD1-CA 3.32Å; Y187-F214 HydrophobicContact CD1-CB 4.02Å; Y187-F214 HydrophobicContact CD1-CD2 4.11Å; Y187-F214 AromaticContact CD1-CG 3.96Å; Y187-F214 HydrophobicContact CD1-CG 3.96Å; Y187-F214 HydrophobicContact CD2-CB 4.38Å; Y187-F214 HydrophobicContact CD2-CD2 4.37Å; Y187-F214 HydrophobicContact CE1-CB 4.11Å; Y187-F214 HydrophobicContact CE2-CB 4.47Å; Y187-F214 HydrophobicContact CG-CB 4.17Å; Y187-F214 AromaticContact CG-CD2 3.76Å; Y187-F214 HydrophobicContact CG-CD2 3.76Å; Y187-F214 HydrophobicContact CG-CE2 4.4Å; Y187-F214 HydrophobicContact CG-CG 4.06Å; V207-F214 HydrophobicContact CB-CD2 4.31Å; V207-F214 HydrophobicContact CB-CE2 3.93Å; V207-F214 HydrophobicContact CG1-CD2 4.2Å; V207-F214 HydrophobicContact CG1-CE2 4.11Å; V207-F214 HydrophobicContact CG2-CE2 3.98Å; V209-F214 HydrophobicContact CG2-CB 4.14Å; V209-F214 HydrophobicContact CG2-CD2 4.05Å; F214-K216 HydrophobicContact CE1-CB 3.74Å; F214-K216 HydrophobicContact CE1-CG 4.19Å; F214-K216 HydrophobicContact CZ-CB 4.26Å; F214-K216 HydrophobicContact CZ-CG 4.42Å; F214-Y219 HydrophobicContact CE2-CE2 4.33Å
215K86.2Confident81.9Confident91 Ų9164.8 Ų64.840%0.39631%0.305SS..  trans-104.6116.2173.4-75.6171.4168.2168.60108.2N144 E212 R213 L217 Y219N144-K215 PolarHBondContact OD1-N 2.76Å; E212-K215 WeakPolarHBondContact OE1-CE 3.26Å; E212-K215 IonicContact OE1-NZ 3.64Å; E212-K215 PolarHBondContact OE1-NZ 3.35Å; R213-K215 PolarHBondContact O-N 2.89Å; K215-L217 HydrophobicContact CB-CD1 4.39Å; K215-L217 HydrophobicContact CB-CG 4.39Å; K215-L217 PolarHBondContact O-N 3.13Å; K215-Y219 WeakPolarHBondContact O-CE2 3.47Å; K215-Y219 VanDerWaalsContact O-CZ 3.29Å; K215-Y219 PolarHBondContact O-OH 3.03Å
216K82.4Confident80.1Confident143 Ų14375.4 Ų75.462%0.62235%0.345SS*.  trans-77.6109.7174.7-164.9165.9-177.3165.50109.6E190 F214E190-K216 VanDerWaalsContact O-CE 3.3Å; E190-K216 WeakPolarHBondContact O-CE 3.45Å; E190-K216 PolarHBondContact O-NZ 3.31Å; F214-K216 HydrophobicContact CE1-CB 3.74Å; F214-K216 HydrophobicContact CE1-CG 4.19Å; F214-K216 HydrophobicContact CZ-CB 4.26Å; F214-K216 HydrophobicContact CZ-CG 4.42Å
217L83.9Confident78.2Confident66 Ų6680.8 Ų80.835%0.34638%0.38SS..  trans-131164.5-179.7-66.3175.6000109.1V147 K215 Y219V147-L217 HydrophobicContact CG1-CB 3.76Å; V147-L217 HydrophobicContact CG1-CD1 3.83Å; V147-L217 HydrophobicContact CG1-CG 4.36Å; K215-L217 HydrophobicContact CB-CD1 4.39Å; K215-L217 HydrophobicContact CB-CG 4.39Å; K215-L217 PolarHBondContact O-N 3.13Å; L217-Y219 HydrophobicContact CB-CD1 4.27Å; L217-Y219 HydrophobicContact CB-CD2 4.37Å; L217-Y219 HydrophobicContact CB-CE1 3.89Å; L217-Y219 HydrophobicContact CB-CE2 3.97Å; L217-Y219 HydrophobicContact CD1-CE1 4.23Å; L217-Y219 WeakPolarHBondContact O-CD2 3.22Å; L217-Y219 PolarHBondContact O-N 3.01Å
218P82.1Confident76.3Confident84 Ų8488.1 Ų88.155%0.54541%0.412SS..  trans-71.969.2177.330.2-36.6000112.1S220P218-S220 PolarHBondContact O-N 3.46Å
219Y79.8Confident74.2Confident1 Ų190.7 Ų90.70%0.00444%0.438CS..G310 helixtrans-71.1-16.6179.6-58.4-63.2000113.2V142 G145 V147 V207 F214 K215 L217 D221 L222V142-Y219 HydrophobicContact CB-CD1 4.49Å; V142-Y219 HydrophobicContact CG1-CD1 3.53Å; V142-Y219 HydrophobicContact CG1-CE1 3.84Å; V142-Y219 HydrophobicContact CG1-CG 4.29Å; G145-Y219 PolarHBondContact N-OH 3.36Å; V147-Y219 HydrophobicContact CG1-CD1 4.26Å; V147-Y219 HydrophobicContact CG1-CE1 4.27Å; V207-Y219 HydrophobicContact CB-CE2 4.44Å; V207-Y219 HydrophobicContact CG1-CE2 4.02Å; V207-Y219 HydrophobicContact CG2-CD2 3.47Å; V207-Y219 VanDerWaalsContact CG2-CD2 3.47Å; V207-Y219 HydrophobicContact CG2-CE2 3.57Å; V207-Y219 HydrophobicContact CG2-CG 4.06Å; F214-Y219 HydrophobicContact CE2-CE2 4.33Å; K215-Y219 WeakPolarHBondContact O-CE2 3.47Å; K215-Y219 VanDerWaalsContact O-CZ 3.29Å; K215-Y219 PolarHBondContact O-OH 3.03Å; L217-Y219 HydrophobicContact CB-CD1 4.27Å; L217-Y219 HydrophobicContact CB-CD2 4.37Å; L217-Y219 HydrophobicContact CB-CE1 3.89Å; L217-Y219 HydrophobicContact CB-CE2 3.97Å; L217-Y219 HydrophobicContact CD1-CE1 4.23Å; L217-Y219 WeakPolarHBondContact O-CD2 3.22Å; L217-Y219 PolarHBondContact O-N 3.01Å; Y219-D221 VanDerWaalsContact C-N 3.26Å; Y219-D221 PolarHBondContact O-N 2.73Å; Y219-L222 HydrophobicContact CD1-CD1 3.83Å; Y219-L222 VanDerWaalsContact O-CB 3.22Å; Y219-L222 WeakPolarHBondContact O-CB 3.38Å; Y219-L222 WeakPolarHBondContact O-CG 3.4Å; Y219-L222 PolarHBondContact O-N 2.89Å
220S76.4Confident72.3Confident52 Ų5296.4 Ų96.436%0.36447%0.473SS..G310 helixtrans-58.5-35.9178.6-50.40000112.9P218 L222 L223P218-S220 PolarHBondContact O-N 3.46Å; S220-L222 PolarHBondContact O-N 2.79Å; S220-L223 WeakPolarHBondContact O-CB 3.49Å; S220-L223 PolarHBondContact O-N 2.85Å
221D77.6Confident70.1Confident109 Ų109107.6 Ų107.658%0.58351%0.512SS*.G310 helixtrans-63.3-22.1177.4-65.5-11000112.4Y219 F224 T225Y219-D221 VanDerWaalsContact C-N 3.26Å; Y219-D221 PolarHBondContact O-N 2.73Å; D221-F224 CarbonylContact O-C 3.47Å; D221-F224 PolarHBondContact O-N 2.83Å; D221-T225 PolarHBondContact O-N 2.86Å; D221-T225 PolarHBondContact O-OG1 3.12Å
222L75.6Confident68.5Low9 Ų9107 Ų1075%0.04751%0.51CS..G310 helixtrans-76.4-23.4-178.5-51.3175.5000112.8V142 D146 A151 Y219 S220 T225V142-L222 HydrophobicContact CB-CD1 4.31Å; V142-L222 HydrophobicContact CG1-CD1 3.54Å; V142-L222 HydrophobicContact CG2-CB 4.15Å; V142-L222 HydrophobicContact CG2-CD1 3.75Å; D146-L222 VanDerWaalsContact O-CD1 3.3Å; D146-L222 WeakPolarHBondContact O-CD1 3.15Å; A151-L222 HydrophobicContact CB-CB 4.29Å; A151-L222 PolarHBondContact N-O 3.05Å; A151-L222 VanDerWaalsContact N-O 3.09Å; Y219-L222 HydrophobicContact CD1-CD1 3.83Å; Y219-L222 VanDerWaalsContact O-CB 3.22Å; Y219-L222 WeakPolarHBondContact O-CB 3.38Å; Y219-L222 WeakPolarHBondContact O-CG 3.4Å; Y219-L222 PolarHBondContact O-N 2.89Å; S220-L222 PolarHBondContact O-N 2.79Å; L222-T225 WeakPolarHBondContact CA-OG1 3.33Å
223L70.4Confident66.7Low61 Ų61110 Ų11032%0.31953%0.527SS..THydrogen-bonded Turntrans-67.5-43.8169.4-64.9170.2000110.9F140 A151 L205 S220 T225F140-L223 HydrophobicContact CB-CD2 3.6Å; F140-L223 HydrophobicContact CD1-CD2 3.97Å; F140-L223 HydrophobicContact CD2-CD2 3.99Å; F140-L223 HydrophobicContact CG-CD2 3.59Å; A151-L223 HydrophobicContact CB-CD2 3.99Å; L205-L223 HydrophobicContact CB-CD1 4.1Å; L205-L223 HydrophobicContact CB-CD2 4.21Å; L205-L223 HydrophobicContact CB-CG 4.44Å; L205-L223 HydrophobicContact CD1-CD2 4.04Å; L205-L223 HydrophobicContact CD1-CG 4.39Å; L205-L223 HydrophobicContact CD2-CD1 4Å; L205-L223 HydrophobicContact CD2-CG 4.06Å; L205-L223 HydrophobicContact CG-CD2 4.48Å; S220-L223 WeakPolarHBondContact O-CB 3.49Å; S220-L223 PolarHBondContact O-N 2.85Å; L223-T225 VanDerWaalsContact C-N 3.33Å
224F65.5Low65.1Low168 Ų168111.7 Ų111.774%0.73753%0.533SS*.SBendtrans-93.39.3-175.8-57.5-67.1000113.5D221 R226D221-F224 CarbonylContact O-C 3.47Å; D221-F224 PolarHBondContact O-N 2.83Å; F224-R226 VanDerWaalsContact C-N 3.29Å; F224-R226 PolarHBondContact O-N 3.17Å
225T57.3Low63.5Low42 Ų42112.8 Ų112.826%0.25856%0.558SS.*  trans-62.893.7169.5-60.20000108.6P150 D221 L222 L223P150-T225 HydrophobicContact CB-CG2 4.13Å; D221-T225 PolarHBondContact O-N 2.86Å; D221-T225 PolarHBondContact O-OG1 3.12Å; L222-T225 WeakPolarHBondContact CA-OG1 3.33Å; L223-T225 VanDerWaalsContact C-N 3.33Å
226R52.6Low61.8Low225 Ų225114.2 Ų114.285%0.84957%0.567SS**  trans-46.6128.2165.3-68.5-172.4176.9-158.5-1.4106.8F224 K228F224-R226 VanDerWaalsContact C-N 3.29Å; F224-R226 PolarHBondContact O-N 3.17Å; R226-K228 PolarHBondContact O-N 2.88Å
227P50.7Low60.1Low115 Ų115116.7 Ų116.775%0.74758%0.578SS**  trans-52.9132.3-165.518.7-32.5000109.8G229P227-G229 PolarHBondContact O-N 3.1Å
228K50.7Low58.5Low154 Ų154116 Ų11667%0.6758%0.582SS**  trans-67.635.6169.5-69.5176.4-179.5168.30111.7L148 R226 T230L148-K228 PolarHBondContact O-NZ 2.99Å; R226-K228 PolarHBondContact O-N 2.88Å; K228-T230 PolarHBondContact O-N 3.11Å; K228-T230 VanDerWaalsContact O-N 3.1Å
229G47.2Very low57.1Low54 Ų54120.9 Ų120.956%0.55760%0.597SS**  trans-55.3115.7155.200000107.3P227P227-G229 PolarHBondContact O-N 3.1Å
230T51.5Low55.9Low125 Ų125125.4 Ų125.477%0.76763%0.628SS**  trans22.9104.1161.943.60000115K228 R232K228-T230 PolarHBondContact O-N 3.11Å; K228-T230 VanDerWaalsContact O-N 3.1Å; T230-R232 VanDerWaalsContact C-N 3.28Å; T230-R232 PolarHBondContact O-N 3.1Å
231R43.4Very low55.3Low247 Ų247130.3 Ų130.393%0.93265%0.65SS**  trans-49.5100.4158.5-92.5-169.8177.1-173.61.5107.1I233R231-I233 PolarHBondContact O-N 2.91Å
232R50.1Low54.3Low179 Ų179130.4 Ų130.468%0.67566%0.656SS**  trans-65.895.6162.1-83.3-163.6-82.7170.5-8.8105T230 R234T230-R232 VanDerWaalsContact C-N 3.28Å; T230-R232 PolarHBondContact O-N 3.1Å; R232-R234 PolarHBondContact O-N 3.11Å; R232-R234 VanDerWaalsContact O-N 3.14Å
233I46.6Very low53.3Low118 Ų118135 Ų13561%0.60569%0.687SS**  trans-42.4122.8171.2-63.8173.9000106.1R231 G235 M236R231-I233 PolarHBondContact O-N 2.91Å; I233-G235 VanDerWaalsContact C-N 3.27Å; I233-G235 PolarHBondContact O-N 3.39Å; I233-M236 HydrophobicContact CB-CG 4.11Å; I233-M236 HydrophobicContact CB-SD 4.18Å; I233-M236 HydrophobicContact CD1-SD 4.03Å; I233-M236 HydrophobicContact CG1-SD 4.47Å; I233-M236 PolarHBondContact O-N 3.36Å
234R49.5Very low52.5Low256 Ų256139.4 Ų139.497%0.96671%0.709SS**THydrogen-bonded Turntrans-6883.8-163.8-168.8-176.2-172.1-140.55.5110.4R232R232-R234 PolarHBondContact O-N 3.11Å; R232-R234 VanDerWaalsContact O-N 3.14Å
235G55.1Low51.5Low70 Ų70140.2 Ų140.272%0.72271%0.708SS**THydrogen-bonded Turntrans153.6-31.8-168.100000112.9I233 K237I233-G235 VanDerWaalsContact C-N 3.27Å; I233-G235 PolarHBondContact O-N 3.39Å; G235-K237 PolarHBondContact O-N 3.28Å
236M50Low51.1Low121 Ų121148.6 Ų148.660%0.59674%0.735SS**  trans-72.399.2171.3-66-169.585.100110.2I233 A238I233-M236 HydrophobicContact CB-CG 4.11Å; I233-M236 HydrophobicContact CB-SD 4.18Å; I233-M236 HydrophobicContact CD1-SD 4.03Å; I233-M236 HydrophobicContact CG1-SD 4.47Å; I233-M236 PolarHBondContact O-N 3.36Å; M236-A238 PolarHBondContact O-N 3.37Å
237K46.8Very low50.6Low195 Ų195146.4 Ų146.485%0.84873%0.732SS**  trans-49.6130.8160.3-66.8174.2-178.4172.60107.4G235G235-K237 PolarHBondContact O-N 3.28Å
238A50Low50.4Low52 Ų52146.1 Ų146.143%0.4373%0.733SS.*  trans-57.3151.6167.100000108.5M236 S240M236-A238 PolarHBondContact O-N 3.37Å; A238-S240 PolarHBondContact O-N 3.33Å
239H53.6Low50Low186 Ų186149 Ų14986%0.86175%0.746SS**  trans-67.979167.1-67.2-76.1000108.8L241H239-L241 PolarHBondContact O-N 3.38Å
240S53Low49.7Very low95 Ų95157.8 Ų157.866%0.66476%0.762SS**  trans-55.9120.8168.851.90000107.5A238A238-S240 PolarHBondContact O-N 3.33Å
241L65.1Low48.8Very low156 Ų156157.2 Ų157.282%0.81776%0.763SS**  trans-45.5135.7163.5-61.7174000107.9H239H239-L241 PolarHBondContact O-N 3.38Å
242P56.7Low48.5Very low110 Ų110148.9 Ų148.971%0.71475%0.754SS**  trans-52.8128.8-165.719.4-32.5000110.2I244P242-I244 PolarHBondContact O-N 3.25Å; P242-I244 VanDerWaalsContact O-N 3.09Å
243P54.3Low47.7Very low106 Ų106148 Ų14869%0.68876%0.762SS**  trans-58.8120.3-169.322.1-33.1000109.9Y245P243-Y245 PolarHBondContact O-N 2.93Å
244I53.3Low47.2Very low153 Ų153147 Ų14779%0.78577%0.766SS**  trans-60109.4179.6-60.3175.4000107.4P242 R246P242-I244 PolarHBondContact O-N 3.25Å; P242-I244 VanDerWaalsContact O-N 3.09Å; I244-R246 HydrophobicContact CG2-CG 4.42Å; I244-R246 PolarHBondContact O-N 3.26Å
245Y44.5Very low46.7Very low185 Ų185144.6 Ų144.673%0.72576%0.763SS**  trans-75.571.7-167.2-148.8-74.1000111.4P243 F247P243-Y245 PolarHBondContact O-N 2.93Å; Y245-F247 HydrophobicContact CD1-CD1 4.33Å; Y245-F247 AromaticContact CD1-CD2 3.7Å; Y245-F247 HydrophobicContact CD1-CD2 3.7Å; Y245-F247 HydrophobicContact CD1-CE1 4.13Å; Y245-F247 AromaticContact CD1-CE2 3.45Å; Y245-F247 HydrophobicContact CD1-CE2 3.45Å; Y245-F247 VanDerWaalsContact CD1-CE2 3.45Å; Y245-F247 HydrophobicContact CD1-CG 4.13Å; Y245-F247 AromaticContact CD1-CZ 3.69Å; Y245-F247 HydrophobicContact CD1-CZ 3.69Å; Y245-F247 AromaticContact CE1-CD1 3.99Å; Y245-F247 HydrophobicContact CE1-CD1 3.99Å; Y245-F247 HydrophobicContact CE1-CD2 4.16Å; Y245-F247 AromaticContact CE1-CE1 3.59Å; Y245-F247 HydrophobicContact CE1-CE1 3.59Å; Y245-F247 AromaticContact CE1-CE2 3.76Å; Y245-F247 HydrophobicContact CE1-CE2 3.76Å; Y245-F247 HydrophobicContact CE1-CG 4.27Å; Y245-F247 AromaticContact CE1-CZ 3.46Å; Y245-F247 HydrophobicContact CE1-CZ 3.46Å; Y245-F247 VanDerWaalsContact CE1-CZ 3.46Å; Y245-F247 HydrophobicContact CG-CE2 4.47Å; Y245-F247 PolarHBondContact O-N 2.85Å
246R48.3Very low45.9Very low218 Ų218146.2 Ų146.282%0.82376%0.763SS**  trans-69.895.1172.1-68.7-171.5-179.7-1681.5108.7I244 S248I244-R246 HydrophobicContact CG2-CG 4.42Å; I244-R246 PolarHBondContact O-N 3.26Å; R246-S248 VanDerWaalsContact C-N 3.3Å; R246-S248 PolarHBondContact O-N 3.34Å
247F42.9Very low45Very low179 Ų179147.7 Ų147.779%0.78578%0.779SS**  trans-60.890.5167-77.9-85.3000110.2Y245 K249Y245-F247 HydrophobicContact CD1-CD1 4.33Å; Y245-F247 AromaticContact CD1-CD2 3.7Å; Y245-F247 HydrophobicContact CD1-CD2 3.7Å; Y245-F247 HydrophobicContact CD1-CE1 4.13Å; Y245-F247 AromaticContact CD1-CE2 3.45Å; Y245-F247 HydrophobicContact CD1-CE2 3.45Å; Y245-F247 VanDerWaalsContact CD1-CE2 3.45Å; Y245-F247 HydrophobicContact CD1-CG 4.13Å; Y245-F247 AromaticContact CD1-CZ 3.69Å; Y245-F247 HydrophobicContact CD1-CZ 3.69Å; Y245-F247 AromaticContact CE1-CD1 3.99Å; Y245-F247 HydrophobicContact CE1-CD1 3.99Å; Y245-F247 HydrophobicContact CE1-CD2 4.16Å; Y245-F247 AromaticContact CE1-CE1 3.59Å; Y245-F247 HydrophobicContact CE1-CE1 3.59Å; Y245-F247 AromaticContact CE1-CE2 3.76Å; Y245-F247 HydrophobicContact CE1-CE2 3.76Å; Y245-F247 HydrophobicContact CE1-CG 4.27Å; Y245-F247 AromaticContact CE1-CZ 3.46Å; Y245-F247 HydrophobicContact CE1-CZ 3.46Å; Y245-F247 VanDerWaalsContact CE1-CZ 3.46Å; Y245-F247 HydrophobicContact CG-CE2 4.47Å; Y245-F247 PolarHBondContact O-N 2.85Å; F247-K249 PolarHBondContact O-N 3.01Å
248S45.3Very low44.3Very low109 Ų109141.3 Ų141.376%0.76277%0.769SS**  trans-74.2118.8163.347.70000108.3R246 R250R246-S248 VanDerWaalsContact C-N 3.3Å; R246-S248 PolarHBondContact O-N 3.34Å; S248-R250 PolarHBondContact O-N 3.33Å
249K43.4Very low43.4Very low216 Ų216150.1 Ų150.194%0.93979%0.791SS**  trans-64.1100.3169.3-83.3-176172.3-179.60108.4F247F247-K249 PolarHBondContact O-N 3.01Å
250R39.9Very low42.3Very low238 Ų238146 Ų14690%0.89878%0.783SS**  trans-86.4114162.4-174.5156.3-178.5155.2-1108.7S248S248-R250 PolarHBondContact O-N 3.33Å
251S33.8Very low41.4Very low113 Ų113146.2 Ų146.279%0.7979%0.785SS**  trans-58.3143.2167.8-166.10000109.8
252G37.2Very low39.8Very low72 Ų72146 Ų14674%0.74278%0.784SS**  trans-79.8143.4-175.400000112.9
253N33.3Very low38.7Very low159 Ų159146.1 Ų146.185%0.8579%0.788SS**  trans-147.9153.3143.4-158.2-5.9000109.7
254S35.7Very low37.7Very low98 Ų98144.3 Ų144.369%0.68579%0.789SS**  trans-75.9156-179.5670000113.5
255K38.8Very low36.8Very low205 Ų205144.4 Ų144.489%0.89179%0.791SS**  -169.9171104-137.5164.3-177.4173.80111.5
256S37.3Very low36.3Very low105 Ų105147.1 Ų147.173%0.73480%0.8SS**  trans-130.9140.3-166.749.40000114.4
257T32.8Very low35.8Very low151 Ų151143.4 Ų143.493%0.92680%0.796SS**  trans-171.3148.416025.10000107.6
258G30.7Very low35.7Very low62 Ų62139.9 Ų139.964%0.63979%0.793SS**  cis143.1138.9-3.400000111.5
259R31Very low35.4Very low237 Ų237144.1 Ų144.189%0.89480%0.798SS**  trans77.7134-173.2-46.9177.695.5-149.25.8113
260S31.1Very low34.8Very low98 Ų98138.7 Ų138.769%0.68579%0.793SS**  cis79.5140.634.593.40000113.6
261S34.3Very low34.6Very low101 Ų101133.1 Ų133.171%0.70679%0.791SS**  cis-144.7152.411.1-39.20000110.3
262D31.1Very low35.6Very low151 Ų151133.3 Ų133.381%0.80779%0.79SS**  67.8127.992.6-171.433.7000117.6
263S34.2Very low36Very low113 Ų113134.6 Ų134.679%0.7979%0.785SS**  trans179.1110.614557.80000114
264G32.2Very low36.1Very low68 Ų68134.6 Ų134.670%0.70179%0.785SS**  trans57.9125153.700000120.9
265D35.3Very low36.3Very low155 Ų155137.5 Ų137.583%0.82979%0.787SS**  84.5103.358.8-99.5-50.7000116.8
266R34.5Very low35.9Very low242 Ų242133.1 Ų133.191%0.91378%0.781SS**  -178.6138.7122.4-102.8-178.9176.4-147.9-3.3114.1
267D37Very low36.4Very low139 Ų139134.5 Ų134.574%0.74378%0.781SS**  trans-65.9166.8169.5-53.1-97.5000112.7
268S39.9Very low37.1Very low105 Ų105132 Ų13273%0.73476%0.762SS**  cis-159.2146.336.9-71.70000116.3
269K39.4Very low38Very low199 Ų199133.1 Ų133.187%0.86576%0.76SS**  trans45104.2134.7-54.2-77.7-174.9175.70120.3
270A30.7Very low39.1Very low101 Ų101129.2 Ų129.284%0.83575%0.749SS**  trans-165.3147.813700000112
271S36.5Very low40.3Very low122 Ų122131.6 Ų131.685%0.85375%0.749SS**  trans-175.2163.2173.9-72.20000109
272P53.6Low41.2Very low116 Ų116133.8 Ų133.875%0.75375%0.748SS**  cis-120.9-146.1-7.945.2-29.1000109.4
273P46.8Very low42.5Very low100 Ų100132.4 Ų132.465%0.64974%0.74SS**  cis-132.3163.3-18.438.3-20.8000116.8
274N35.7Very low44Very low158 Ų158131.9 Ų131.985%0.84573%0.732SS**  trans33125.3142.3-51.1-13.8000122.7
275H38.8Very low45.9Very low159 Ų159131.5 Ų131.574%0.73672%0.719SS**  160.6108.6110.1179.5-70.9000113.8
276C31Very low47.7Very low114 Ų114125.9 Ų125.977%0.7769%0.694SS**  trans-168.375.9164.357.90000116.6
277D47.7Very low49.8Very low134 Ų134119.1 Ų119.172%0.71768%0.679SS**  trans-102.6-6.9175.1-98.3-62.6000115.7S279D277-S279 VanDerWaalsContact C-N 3.28Å; D277-S279 PolarHBondContact O-N 3.07Å; D277-S279 VanDerWaalsContact O-N 3.11Å
278N47.2Very low51.7Low99 Ų99120.9 Ų120.953%0.52968%0.675SS.*THydrogen-bonded Turntrans-74.4-5.7-166.6-62.56.3000115.8K280 E281 H282N278-K280 PolarHBondContact O-N 3.28Å; N278-E281 PolarHBondContact O-N 3.41Å; N278-H282 PolarHBondContact O-N 2.92Å
279S50.4Low53.3Low85 Ų85122 Ų12259%0.59467%0.669SS**Hα-helixtrans-70.4-30.8-172.661.10000114D277 L283D277-S279 VanDerWaalsContact C-N 3.28Å; D277-S279 PolarHBondContact O-N 3.07Å; D277-S279 VanDerWaalsContact O-N 3.11Å; S279-L283 PolarHBondContact O-N 2.81Å
280K54.2Low54.9Low154 Ų154117.1 Ų117.167%0.6765%0.651SS**Hα-helixtrans-70.8-40.1177.1-76.7172.9-177.6157.50112.4N278 L283 V284N278-K280 PolarHBondContact O-N 3.28Å; K280-L283 PolarHBondContact O-N 3.28Å; K280-V284 WeakPolarHBondContact O-CG2 3.35Å; K280-V284 PolarHBondContact O-N 3.48Å
281E55.2Low57.1Low149 Ų149115 Ų11570%0.69663%0.63SS**Hα-helixtrans-69.6-39.3-176.1-58.5-158156.100111.8N278 L283 V284 S285N278-E281 PolarHBondContact O-N 3.41Å; E281-L283 VanDerWaalsContact C-N 3.34Å; E281-L283 PolarHBondContact O-N 3.34Å; E281-V284 PolarHBondContact O-N 2.77Å; E281-S285 VanDerWaalsContact O-CB 3.23Å; E281-S285 WeakPolarHBondContact O-CB 3.45Å; E281-S285 PolarHBondContact O-N 3.48Å
282H53.4Low59Low146 Ų146114 Ų11468%0.67661%0.612SS**Hα-helixtrans-57.8-43.9171.7-95.1-95000112.6N278 S285 A286N278-H282 PolarHBondContact O-N 2.92Å; H282-S285 PolarHBondContact O-N 2.83Å; H282-A286 WeakPolarHBondContact O-CB 3.44Å; H282-A286 PolarHBondContact O-N 2.94Å
283L59.5Low59.8Low123 Ų123111 Ų11164%0.64460%0.597SS**Hα-helixtrans-68.2-41.5178.6-70.2172.6000112.4S279 K280 E281 A286 V287S279-L283 PolarHBondContact O-N 2.81Å; K280-L283 PolarHBondContact O-N 3.28Å; E281-L283 VanDerWaalsContact C-N 3.34Å; E281-L283 PolarHBondContact O-N 3.34Å; L283-A286 PolarHBondContact O-N 3.47Å; L283-V287 WeakPolarHBondContact O-CG2 3.12Å; L283-V287 PolarHBondContact O-N 3.28Å
284V65.9Low61Low102 Ų102114.6 Ų114.662%0.61860%0.598SS**Hα-helixtrans-65.4-40.1175.6172.30000111K280 E281 R288K280-V284 WeakPolarHBondContact O-CG2 3.35Å; K280-V284 PolarHBondContact O-N 3.48Å; E281-V284 PolarHBondContact O-N 2.77Å; V284-R288 VanDerWaalsContact O-CB 3.31Å; V284-R288 WeakPolarHBondContact O-CB 3.23Å; V284-R288 PolarHBondContact O-N 2.89Å
285S72.2Confident62.6Low60 Ų60112.4 Ų112.442%0.4259%0.585SS.*Hα-helixtrans-63.9-47175.4-169.60000111.8E281 H282 V287 R288 Q289E281-S285 VanDerWaalsContact O-CB 3.23Å; E281-S285 WeakPolarHBondContact O-CB 3.45Å; E281-S285 PolarHBondContact O-N 3.48Å; H282-S285 PolarHBondContact O-N 2.83Å; S285-V287 PolarHBondContact O-N 3.04Å; S285-R288 CarbonylContact O-C 3.58Å; S285-R288 WeakPolarHBondContact O-CA 3.36Å; S285-R288 WeakPolarHBondContact O-CB 3.05Å; S285-R288 PolarHBondContact O-N 3.09Å; S285-R288 VanDerWaalsContact O-N 3.11Å; S285-Q289 PolarHBondContact O-N 3.01Å
286A72.9Confident64Low37 Ų37110.4 Ų110.431%0.30658%0.58SS.*Hα-helixtrans-60.3-45.3177.200000112.1H282 L283 R288 Q289 I290H282-A286 WeakPolarHBondContact O-CB 3.44Å; H282-A286 PolarHBondContact O-N 2.94Å; L283-A286 PolarHBondContact O-N 3.47Å; A286-R288 VanDerWaalsContact C-N 3.29Å; A286-R288 PolarHBondContact O-N 3.45Å; A286-Q289 PolarHBondContact O-N 3.33Å; A286-Q289 VanDerWaalsContact O-N 3.16Å; A286-I290 WeakPolarHBondContact O-CD1 3.23Å; A286-I290 VanDerWaalsContact O-CG1 3.27Å; A286-I290 WeakPolarHBondContact O-CG1 3.39Å; A286-I290 PolarHBondContact O-N 3.46Å
287V78.7Confident65.7Low100 Ų100109 Ų10961%0.60657%0.568SS**Hα-helixtrans-62.8-36.3175.3171.20000111.6L283 S285 S291L283-V287 WeakPolarHBondContact O-CG2 3.12Å; L283-V287 PolarHBondContact O-N 3.28Å; S285-V287 PolarHBondContact O-N 3.04Å; V287-S291 WeakPolarHBondContact O-CB 3.48Å; V287-S291 PolarHBondContact O-N 2.65Å; V287-S291 VanDerWaalsContact O-N 3.08Å; V287-S291 PolarHBondContact O-OG 2.79Å
288R77.1Confident66.3Low175 Ų175108.4 Ų108.466%0.6656%0.564SS**Hα-helixtrans-69.9-31.5174.5-168.9176.4177.9-176-1.1112.9V284 S285 A286 S291 Q292V284-R288 VanDerWaalsContact O-CB 3.31Å; V284-R288 WeakPolarHBondContact O-CB 3.23Å; V284-R288 PolarHBondContact O-N 2.89Å; S285-R288 CarbonylContact O-C 3.58Å; S285-R288 WeakPolarHBondContact O-CA 3.36Å; S285-R288 WeakPolarHBondContact O-CB 3.05Å; S285-R288 PolarHBondContact O-N 3.09Å; S285-R288 VanDerWaalsContact O-N 3.11Å; A286-R288 VanDerWaalsContact C-N 3.29Å; A286-R288 PolarHBondContact O-N 3.45Å; R288-S291 WeakPolarHBondContact CA-OG 3.31Å; R288-S291 PolarHBondContact O-OG 2.78Å; R288-Q292 WeakPolarHBondContact O-CG 2.96Å; R288-Q292 PolarHBondContact O-N 3.49Å; R288-Q292 PolarHBondContact O-NE2 3.25Å
289Q72.1Confident67.2Low129 Ų129113 Ų11360%0.60357%0.574SS**Hα-helixtrans-72.7-48.2172.2-73.3178.1-16.400111.7S285 A286 S291 Q292 A293S285-Q289 PolarHBondContact O-N 3.01Å; A286-Q289 PolarHBondContact O-N 3.33Å; A286-Q289 VanDerWaalsContact O-N 3.16Å; Q289-S291 VanDerWaalsContact C-N 3.3Å; Q289-S291 PolarHBondContact O-N 3.28Å; Q289-Q292 PolarHBondContact O-N 2.63Å; Q289-Q292 VanDerWaalsContact O-N 3.15Å; Q289-A293 PolarHBondContact O-N 2.86Å
290I73.9Confident67.5Low96 Ų96115.4 Ų115.449%0.49257%0.573SS.*Hα-helixtrans-60.5-39.4-179.1-67.1162.5000111.4A286 R294A286-I290 WeakPolarHBondContact O-CD1 3.23Å; A286-I290 VanDerWaalsContact O-CG1 3.27Å; A286-I290 WeakPolarHBondContact O-CG1 3.39Å; A286-I290 PolarHBondContact O-N 3.46Å; I290-R294 WeakPolarHBondContact O-CG 3.34Å; I290-R294 PolarHBondContact O-N 3.37Å; I290-R294 VanDerWaalsContact O-N 3.11Å
291S77.3Confident67.6Low56 Ų56117.1 Ų117.139%0.39258%0.581SS.*Hα-helixtrans-67.5-38.9176.448.90000113V287 R288 Q289 R294 L295V287-S291 WeakPolarHBondContact O-CB 3.48Å; V287-S291 PolarHBondContact O-N 2.65Å; V287-S291 VanDerWaalsContact O-N 3.08Å; V287-S291 PolarHBondContact O-OG 2.79Å; R288-S291 WeakPolarHBondContact CA-OG 3.31Å; R288-S291 PolarHBondContact O-OG 2.78Å; Q289-S291 VanDerWaalsContact C-N 3.3Å; Q289-S291 PolarHBondContact O-N 3.28Å; S291-R294 PolarHBondContact O-N 2.73Å; S291-L295 PolarHBondContact O-N 3.35Å; S291-L295 VanDerWaalsContact O-N 3.08Å
292Q76.3Confident67.4Low101 Ų101119.2 Ų119.247%0.47259%0.588SS.*Hα-helixtrans-69-41.4174.9-73.8175.9101.800112.3R288 Q289 R294 L295 L296R288-Q292 WeakPolarHBondContact O-CG 2.96Å; R288-Q292 PolarHBondContact O-N 3.49Å; R288-Q292 PolarHBondContact O-NE2 3.25Å; Q289-Q292 PolarHBondContact O-N 2.63Å; Q289-Q292 VanDerWaalsContact O-N 3.15Å; Q292-R294 VanDerWaalsContact C-N 3.31Å; Q292-R294 PolarHBondContact O-N 3.04Å; Q292-L295 WeakPolarHBondContact O-CB 3.48Å; Q292-L295 PolarHBondContact O-N 3.02Å; Q292-L295 VanDerWaalsContact O-N 3.13Å; Q292-L296 WeakPolarHBondContact O-CG 3.35Å; Q292-L296 PolarHBondContact O-N 3.04Å
293A70.3Confident67.5Low54 Ų54115.4 Ų115.445%0.44658%0.578SS.*Hα-helixtrans-59.7-39.8174.700000112.3Q289 L296 T297Q289-A293 PolarHBondContact O-N 2.86Å; A293-L296 PolarHBondContact O-N 3.45Å; A293-T297 PolarHBondContact O-N 2.94Å; A293-T297 PolarHBondContact O-OG1 2.88Å; A293-T297 VanDerWaalsContact O-OG1 3.08Å
294R70.3Confident67.2Low175 Ų175113.2 Ų113.266%0.6658%0.584SS**Hα-helixtrans-66.2-38.2173.1-73.7179.7176.4-170.6-1.1112.8I290 S291 Q292 T297 L298I290-R294 WeakPolarHBondContact O-CG 3.34Å; I290-R294 PolarHBondContact O-N 3.37Å; I290-R294 VanDerWaalsContact O-N 3.11Å; S291-R294 PolarHBondContact O-N 2.73Å; Q292-R294 VanDerWaalsContact C-N 3.31Å; Q292-R294 PolarHBondContact O-N 3.04Å; R294-T297 WeakPolarHBondContact CA-OG1 3.35Å; R294-T297 PolarHBondContact O-OG1 2.82Å; R294-T297 VanDerWaalsContact O-OG1 3.06Å; R294-L298 WeakPolarHBondContact O-CB 3.44Å; R294-L298 VanDerWaalsContact O-CG 3.24Å; R294-L298 WeakPolarHBondContact O-CG 3.11Å; R294-L298 PolarHBondContact O-N 3.18Å
295L69.8Low66.2Low112 Ų112115.4 Ų115.459%0.58659%0.588SS**Hα-helixtrans-65.5-36.6173.6-87162.7000113S291 Q292 R299S291-L295 PolarHBondContact O-N 3.35Å; S291-L295 VanDerWaalsContact O-N 3.08Å; Q292-L295 WeakPolarHBondContact O-CB 3.48Å; Q292-L295 PolarHBondContact O-N 3.02Å; Q292-L295 VanDerWaalsContact O-N 3.13Å; L295-R299 PolarHBondContact O-N 3.32Å
296L68.9Low64.7Low117 Ų117117.9 Ų117.961%0.61361%0.605SS**Hα-helixtrans-69.9-43.7177-70.5169.2000112.1Q292 A293 L298 R299 K300Q292-L296 WeakPolarHBondContact O-CG 3.35Å; Q292-L296 PolarHBondContact O-N 3.04Å; A293-L296 PolarHBondContact O-N 3.45Å; L296-L298 PolarHBondContact O-N 3.07Å; L296-R299 PolarHBondContact O-N 2.83Å; L296-K300 PolarHBondContact O-N 2.93Å
297T67.1Low63.1Low85 Ų85123.1 Ų123.152%0.52163%0.626SS.*Hα-helixtrans-65.3-36.6175.848.90000112.5A293 R294 K300 K301A293-T297 PolarHBondContact O-N 2.94Å; A293-T297 PolarHBondContact O-OG1 2.88Å; A293-T297 VanDerWaalsContact O-OG1 3.08Å; R294-T297 WeakPolarHBondContact CA-OG1 3.35Å; R294-T297 PolarHBondContact O-OG1 2.82Å; R294-T297 VanDerWaalsContact O-OG1 3.06Å; T297-K300 PolarHBondContact O-N 2.78Å; T297-K301 WeakPolarHBondContact O-CB 3.27Å; T297-K301 PolarHBondContact O-N 3.05Å
298L59.8Low61.1Low121 Ų121124.2 Ų124.263%0.63463%0.634SS**Hα-helixtrans-66.7-34.6172.5-71.6170.4000112.9R294 L296R294-L298 WeakPolarHBondContact O-CB 3.44Å; R294-L298 VanDerWaalsContact O-CG 3.24Å; R294-L298 WeakPolarHBondContact O-CG 3.11Å; R294-L298 PolarHBondContact O-N 3.18Å; L296-L298 PolarHBondContact O-N 3.07Å
299R66.3Low59.1Low195 Ų195120.7 Ų120.774%0.73664%0.642SS**Hα-helixtrans-67.8-47.1170.9-85.7-179.9162.7163.4-5.7112L295 L296 K301 K302 S303L295-R299 PolarHBondContact O-N 3.32Å; L296-R299 PolarHBondContact O-N 2.83Å; R299-K301 VanDerWaalsContact C-N 3.3Å; R299-K301 PolarHBondContact O-N 2.7Å; R299-K302 WeakPolarHBondContact O-CA 3.25Å; R299-K302 PolarHBondContact O-N 2.95Å; R299-S303 PolarHBondContact O-N 3.04Å
300K55.8Low57.1Low136 Ų136121.3 Ų121.359%0.59165%0.65SS**Hα-helixtrans-63.8-34-179.6-161.5170.2-176.3178.80112.3L296 T297 K302 S303L296-K300 PolarHBondContact O-N 2.93Å; T297-K300 PolarHBondContact O-N 2.78Å; K300-K302 PolarHBondContact O-N 2.87Å; K300-S303 PolarHBondContact O-N 3.2Å; K300-S303 PolarHBondContact O-OG 3.14Å
301K57.5Low55.4Low191 Ų191122.5 Ų122.583%0.8367%0.666SS**THydrogen-bonded Turntrans-68.8-9.9170.4-76.9-165.6173.5-165.60115T297 R299T297-K301 WeakPolarHBondContact O-CB 3.27Å; T297-K301 PolarHBondContact O-N 3.05Å; R299-K301 VanDerWaalsContact C-N 3.3Å; R299-K301 PolarHBondContact O-N 2.7Å
302K50.9Low53.8Low192 Ų192125.7 Ų125.784%0.83569%0.686SS**THydrogen-bonded Turntrans-105.4-10.4175-171.9163.7-179.5174.30113.6R299 K300R299-K302 WeakPolarHBondContact O-CA 3.25Å; R299-K302 PolarHBondContact O-N 2.95Å; K300-K302 PolarHBondContact O-N 2.87Å
303S54.3Low51.6Low67 Ų67127.9 Ų127.947%0.46970%0.701SS.*SBendtrans-98.2-0.2-178.866.50000115.1R299 K300 Q305R299-S303 PolarHBondContact O-N 3.04Å; K300-S303 PolarHBondContact O-N 3.2Å; K300-S303 PolarHBondContact O-OG 3.14Å; S303-Q305 PolarHBondContact O-N 3.23Å
304G53.3Low50Low76 Ų76133.2 Ų133.278%0.78472%0.722SS**  trans61.219.616700000116.4
305Q46.1Very low48.1Very low149 Ų149132.4 Ų132.470%0.69673%0.73SS**  trans-104.898.9-165.1-149.716423.600111.7S303S303-Q305 PolarHBondContact O-N 3.23Å
306S41Very low46.4Very low111 Ų111133.9 Ų133.978%0.77674%0.739SS**  trans-77.6134.5170.849.80000111.3
307I38.8Very low44.9Very low147 Ų147138.6 Ų138.675%0.75475%0.749SS**  trans-136.8146.6159.653.4175.3000108.2
308T36.5Very low43.1Very low123 Ų123142.3 Ų142.376%0.75576%0.76SS**  trans-67.5168.4176.544.80000111.7
309A34.6Very low42.2Very low102 Ų102141.3 Ų141.384%0.84376%0.761SS**  trans-123.979.5177.400000109.9
310D30.6Very low40.4Very low142 Ų142139.6 Ų139.676%0.75976%0.761SS**PPolyproline II helixtrans-81.4145159.7-65.5-68.2000109.3
311S37.3Very low39Very low120 Ų120138.8 Ų138.884%0.83976%0.763SS**PPolyproline II helixtrans-85.5136.5-176.7-61.90000111.3
312P43.8Very low37.7Very low123 Ų123136.5 Ų136.580%0.79976%0.76SS**PPolyproline II helixtrans-96.9122.3168.433.9-28000111.5
313D30.1Very low36.7Very low148 Ų148132.7 Ų132.779%0.79176%0.758SS**PPolyproline II helixtrans-68.1158.9158.5-66.5-61.2000111
314N36.5Very low35.7Very low166 Ų166138.5 Ų138.589%0.88878%0.777SS**  trans-168128.3148.6-108.4-87.8000109.7
315D31.1Very low34.5Very low157 Ų157142 Ų14284%0.8478%0.778SS**  trans-79.7153.1175.4-66.4-75.1000113.3
316D34.5Very low34Very low144 Ų144141.6 Ų141.677%0.7779%0.786SS**  trans-158105.8139-135.4-8.5000112.9
317R36.5Very low33.5Very low216 Ų216144.5 Ų144.582%0.81579%0.787SS**  trans60.2111.3152.9-56.2-73.4168.1167.4-4121.4
318E30.1Very low33.2Very low162 Ų162141.4 Ų141.476%0.75778%0.779SS**  36.5143.4110.6-78.1-74.7117.600120.5
319P40.5Very low32.9Very low100 Ų100143.9 Ų143.965%0.64978%0.779SS**  cis-141.3174.831.442.3-24.6000118.8
320Q27.9Very low32.5Very low160 Ų160145.2 Ų145.275%0.74878%0.777SS**  trans73.6135.4153.4-97.8174.6-24.500117.6
321N27.7Very low32.5Very low119 Ų119142.5 Ų142.564%0.63677%0.769SS**  cis-144.7166.58.2-25-95.9000112.7
322D28.8Very low32.1Very low143 Ų143145 Ų14577%0.76577%0.767SS**  trans62.9105.2144.9-54.3-26.1000123
323S30.1Very low31.3Very low112 Ų112145.1 Ų145.178%0.78376%0.761SS**  101.6147.1117.773.30000122.8
324E32.8Very low31.5Very low188 Ų188145 Ų14588%0.87976%0.756SS**  trans78.6110.3164.4-52.2-156.2150.100120.9
325D29.8Very low31Very low150 Ų150147.1 Ų147.180%0.80275%0.752SS**  trans-56.3152176.4-52.1-88.5000116.3
326T34.2Very low31.1Very low140 Ų140143.3 Ų143.386%0.85974%0.742SS**  -168.7142.7104.416.80000116.5
327E31.9Very low30.8Very low172 Ų172144.6 Ų144.680%0.80474%0.743SS**  trans-26.6158.6156.1-70.8-165.1125.700119.4
328S31.1Very low30.6Very low82 Ų82141.4 Ų141.457%0.57374%0.738SS**  cis-172.4165.7-2.949.60000114.9
329K30.6Very low30.8Very low176 Ų176141.3 Ų141.377%0.76574%0.735SS**  trans67.9130.5153.5-73.4156.9-175.6162.70118.5
330T25.9Very low30.3Very low129 Ų129141.9 Ų141.979%0.79174%0.741SS**  cis68.6134.144.4-20.90000111.8
331S30.8Very low30.3Very low85 Ų85141 Ų14159%0.59474%0.742SS**  cis-161.8158.635.9-48.10000116.2
332Q29.5Very low30.5Very low173 Ų173139.2 Ų139.281%0.80874%0.743SS**  trans70.3136141.9-74173.1-74.100120.4
333D26.4Very low30.4Very low125 Ų125138.2 Ų138.267%0.66875%0.748SS**  79.4141.357-93.3-12.7000114.3
334Q35.3Very low30.3Very low146 Ų146140.1 Ų140.168%0.68275%0.749SS**  cis-168153.7-13.9-142.8-176.688.400111.7
335R26.4Very low30.1Very low211 Ų211134 Ų13480%0.79674%0.736SS**  trans71.5113.4139.4-169.2170.7-178.6166.50.8125
336A32.7Very low30.2Very low77 Ų77134.1 Ų134.164%0.63673%0.732SS**  trans55.2138.613300000125.6
337E28.6Very low29.8Very low171 Ų171138.1 Ų138.180%0.79973%0.732SS**  178.7170111.9-92.3-57.8145.400112.2
338E31Very low29.7Very low149 Ų149133.7 Ų133.770%0.69672%0.724SS**  trans-82.3-174.8173.9-58.2-170.4139.100112.4
339K34.4Very low29.6Very low159 Ų159134.7 Ų134.769%0.69173%0.731SS**  cis-177154.524.8-153.6-174.4-163.288.20111.3
340S30.1Very low29.6Very low113 Ų113133.9 Ų133.979%0.7973%0.728SS**  trans169.4136.3133.262.10000117.3
341D28.6Very low29.6Very low142 Ų142134.3 Ų134.376%0.75972%0.721SS**  trans-48.7171.7161.1-65.1-84000117.9
342A31.6Very low29.4Very low80 Ų80137.2 Ų137.266%0.66173%0.73SS**  cis-177.3-169.2-19.100000111.3
343S27.6Very low29.3Very low123 Ų123133.5 Ų133.586%0.8672%0.723SS**  trans79.4155.9162.575.50000120.3
344D27.7Very low29.4Very low151 Ų151134.9 Ų134.981%0.80773%0.725SS**  cis-167149.8-35.1-177.631.9000110.8
345G27.1Very low29Very low60 Ų60133.9 Ų133.962%0.61973%0.725SS**  trans70.2169.9156.700000120.6
346Q32.7Very low29Very low152 Ų152129.4 Ų129.471%0.7172%0.721SS**  cis-170.6136.3-30.6-133.4-169.863.900111.3
347R26.6Very low28.7Very low225 Ų225134 Ų13485%0.84973%0.729SS**  trans59.9170.7158.1-72.6176.4166.1-175.9-5.4117.8
348A29.4Very low28.6Very low78 Ų78133.8 Ų133.865%0.64573%0.728SS**  cis-165156-40.200000110.9
349S29Very low28.7Very low104 Ų104133.2 Ų133.273%0.72773%0.726SS**  trans59.9127.1148.960.20000123
350K29.3Very low28.7Very low159 Ų159131 Ų13169%0.69173%0.728SS**  93.3121.6128.6-83.7170.2154.4-95.60122.2
351E26.4Very low28.4Very low137 Ų137130.7 Ų130.764%0.6472%0.724SS**  89.1138.7126-74.3161.1171.100122.7
352D26.5Very low28.6Very low147 Ų147128.4 Ų128.479%0.78672%0.719SS**  trans62.8129161.6-54.3-20.3000119.1
353S26.9Very low28.4Very low95 Ų95133.1 Ų133.166%0.66473%0.727SS**  70.9131.375.9-130.40000111.9
354E30.3Very low28.5Very low153 Ų153134.7 Ų134.772%0.71573%0.726SS**  cis-162172.28.7-141.6168.9137.400110.1
355N25.5Very low28.9Very low126 Ų126131.2 Ų131.267%0.67472%0.718SS**  trans33.2121.8154.6-63.2-26.3000121.6
356T26.4Very low29.1Very low117 Ų117133.6 Ų133.672%0.71872%0.721SS**  108.2158.970.8-58.70000110.7
357E27.2Very low29.2Very low173 Ų173134 Ų13481%0.80872%0.723SS**  trans80138.8172-53.3-174.9-170.700117
358E27.3Very low29.3Very low167 Ų167128.8 Ų128.878%0.7872%0.716SS**  cis-165.7141.4-24-131.2-175.6-147.100110.4
359E32.2Very low29.2Very low137 Ų137132 Ų13264%0.6472%0.723SS**  trans52.7178.1150.2-82.7-56.7100.200120.4C361E359-C361 PolarHBondContact OE2-N 2.95Å; E359-C361 PolarHBondContact OE2-SG 3.3Å
360P35.3Very low29.2Very low113 Ų113130.2 Ų130.273%0.73472%0.72SS**  cis-124.3153.94.340.4-24.7000119.4
361C23.5Very low30.7Very low105 Ų105128.5 Ų128.571%0.70973%0.725SS**  trans5150.5134.7-73.30000119.8E359E359-C361 PolarHBondContact OE2-N 2.95Å; E359-C361 PolarHBondContact OE2-SG 3.3Å
362S32.6Very low30.6Very low94 Ų94129.1 Ų129.166%0.65774%0.739SS**  cis-153.1-175.123.261.40000111.1
363E27Very low30.7Very low179 Ų179126.7 Ų126.784%0.83673%0.733SS**  -155118.161.8-73.7177.3-176.900113.7
364N29.7Very low31Very low156 Ų156130.3 Ų130.383%0.83474%0.737SS**  trans8.4154.5132.6-66.4-3.3000121.1
365A35.3Very low31Very low78 Ų78128.9 Ų128.965%0.64574%0.735SS**  cis-166.9-168.5-700000107.8
366T32.6Very low31.3Very low110 Ų110130 Ų13068%0.67574%0.741SS**  cis-157.1133.618.4-0.80000111.7
367E34.9Very low31.7Very low161 Ų161131.8 Ų131.875%0.75274%0.738SS**  49.6146.8119.8-61165.5-167.100121.1
368T29Very low32.1Very low115 Ų115130.1 Ų130.171%0.70673%0.731SS**  -165.416654.341.60000109.6
369D27.1Very low32.4Very low147 Ų147129 Ų12979%0.78673%0.725SS**  cis-163.1161.6-10-119.3-40.1000113.6
370G27.8Very low32.6Very low65 Ų65128.8 Ų128.867%0.6773%0.727SS**  trans70.5106.413200000124
371P60.9Low32.4Very low123 Ų123130.6 Ų130.680%0.79973%0.726SS**  trans-107.3163.4161.638.8-31.6000113.9
372T25.4Very low32.7Very low150 Ų150132 Ų13292%0.9273%0.726SS**  trans-158.4172.9163.4-19.20000112.6
373S28.7Very low32.6Very low97 Ų97132.3 Ų132.368%0.67872%0.724SS**  trans-129.4156.3-163.752.70000114
374K32.3Very low32.8Very low170 Ų170130.8 Ų130.874%0.73972%0.722SS**  161.1139.4124.2-92171154.9-82.10116.8
375D30.7Very low32.8Very low124 Ų124129.6 Ų129.666%0.66372%0.72SS**  trans65.4146.5136.4-51.8-22.9000123.7
376D32.2Very low32.6Very low150 Ų150129.6 Ų129.680%0.80272%0.72SS**  trans72.993.1160.7-76.1-38.5000123.5
377K34.3Very low32.5Very low153 Ų153131.8 Ų131.867%0.66572%0.72SS**  108.5111.996.4-167.7176-177.2-178.90120.1
378E36.3Very low32.3Very low139 Ų139129.9 Ų129.965%0.6571%0.711SS**  trans65.7151.4152.9-71.5171-152.900118.1
379Q33.1Very low32.5Very low144 Ų144132.3 Ų132.367%0.67372%0.715SS**  cis-150.4137.68.9-135.8167.775.800111
380I35.1Very low32.7Very low132 Ų132132.8 Ų132.868%0.67771%0.712SS**  trans43.3133.7136.7-66.4179.5000119.5
381Q32Very low33Very low151 Ų151136.2 Ų136.271%0.70671%0.711SS**  cis-158.8143.6-9.6-102.9171-7.200104.8
382D29.9Very low31.5Very low133 Ų133136.6 Ų136.671%0.71170%0.7SS**  61.5136.467.8-56.8-39.4000113.5
383T31Very low31.6Very low102 Ų102137.4 Ų137.463%0.62669%0.693SS**  cis-166.9154.5-6.118.40000110.3
384N30.3Very low31.6Very low147 Ų147136.7 Ų136.779%0.78669%0.693SS**  47.6169.4129.3-52-12.3000121.4
385V29.6Very low31.5Very low130 Ų130135.5 Ų135.579%0.78870%0.695SS**  cis-146.7175.8-6.598.10000110.8
386A31.3Very low31.6Very low79 Ų79136.1 Ų136.165%0.65369%0.694SS**  trans-71.9-157.2168.600000111.9
387K31Very low31.5Very low156 Ų156135.4 Ų135.468%0.67869%0.686SS**  cis-1641588.6-143.8175.5175.9-110.30107.5
388E30.8Very low31.2Very low120 Ų120134.1 Ų134.156%0.56169%0.686SS**  trans48.5118.1149.3-74.2151.3-165.200121
389E32.3Very low30.9Very low167 Ų167134 Ų13478%0.7869%0.69SS**  97.8162.6103.7-74.2171.6176.300111.1
390E31.4Very low30.9Very low156 Ų156134.2 Ų134.273%0.72969%0.691SS**  cis-157.9161.127.7-144.1-172.9176.800111.3
391E33.4Very low30.7Very low137 Ų137134.1 Ų134.164%0.6469%0.686SS**  trans59.2162.3156.9-54.7-137.9128.100119.7
392K30.9Very low30.5Very low132 Ų132133.9 Ų133.957%0.57469%0.685SS**  cis-166175.3-8.9-119.5-175.4177.9113.70108.3
393E26.4Very low30.4Very low166 Ų166136.6 Ų136.678%0.77669%0.693SS**  cis-150.7-103.8-10.6-172116-93.900110.3
394A29.8Very low30Very low83 Ų83135.4 Ų135.469%0.68670%0.701SS**  trans-148.1-174.5179.100000109.5
395D30.1Very low29.9Very low145 Ų145131.5 Ų131.578%0.77570%0.696SS**  cis-162178.813.2-153.6-6.9000112.5
396E31.6Very low29.7Very low137 Ų137131.5 Ų131.564%0.6470%0.696SS**  trans55.6120155-62.6-135.8117.200125.1
397Q31Very low29.5Very low135 Ų135135.7 Ų135.763%0.63171%0.707SS**  64115.3127.1-60.6-162.650.500124.8
398N28.1Very low29.5Very low125 Ų125136 Ų13667%0.66871%0.713SS**  78.8135.3123.5-64.8-7.5000125.1
399D30.6Very low29.3Very low138 Ų138137.3 Ų137.374%0.73872%0.724SS**  trans81.1128.9137.9-80.8-40000123.4
400E33Very low29.2Very low147 Ų147136.2 Ų136.269%0.68772%0.719SS**  trans64.9149.3155.8-62.4-161.4154.800118.1
401K30.7Very low29.2Very low130 Ų130135.8 Ų135.857%0.56572%0.717SS**  cis-161.5164.9-4.2-125.7169.3-172.9143.60111.4
402E28.3Very low29Very low146 Ų146136.8 Ų136.868%0.68272%0.719SS**  trans61.2137.1150.9-76156-151.900118.3
403E26.1Very low28.8Very low191 Ų191135.8 Ų135.889%0.89372%0.724SS**  53.3137.6108.3-53.9-166171.900115.4
404G23.5Very low29Very low76 Ų76134.9 Ų134.978%0.78472%0.719SS**  cis140.3133.39.800000109.3
405G27.1Very low28.9Very low66 Ų66138.8 Ų138.868%0.6872%0.724SS**  trans98109.9-168.700000111
406T25.6Very low28.9Very low129 Ų129137 Ų13779%0.79172%0.718SS**  69.6103.975.462.20000114
407D28.2Very low28.8Very low167 Ų167137.9 Ų137.989%0.89372%0.722SS**  -130156.6127.7-118.4-36.9000108.9
408M30.7Very low28.7Very low164 Ų164138 Ų13881%0.80872%0.723SS**  trans-140.1168.8-168.7-84.1-80.5-179.700110.9
409N27.1Very low29Very low146 Ų146136.8 Ų136.878%0.78172%0.719SS**  trans78.6133.7-176.9-142.524.3000111.3
410E30Very low28.9Very low145 Ų145136.2 Ų136.268%0.67871%0.71SS**  -153.3161.154.2-95.1-158.6106.700117
411Q31.8Very low29Very low147 Ų147136.4 Ų136.469%0.68771%0.711SS**  trans71.4101.9145.1-71.2170.834.700123.1
412K27.8Very low29.1Very low158 Ų158136.9 Ų136.969%0.68772%0.715SS**  76.796.7110.4-162.5179.5-177.4-76.50122.3E414K412-E414 IonicContact NZ-OE2 3.89Å; K412-E414 PolarHBondContact NZ-OE2 2.91Å
413V27.3Very low29.4Very low110 Ų110134 Ų13467%0.66771%0.711SS**  49.3146.1111.5179.90000121.6
414E30Very low29.7Very low147 Ų147131.8 Ų131.869%0.68770%0.699SS**  trans76.7145.2169.2-79.6138-162.600116.4K412K412-E414 IonicContact NZ-OE2 3.89Å; K412-E414 PolarHBondContact NZ-OE2 2.91Å
415E27.6Very low29.8Very low166 Ų166135.7 Ų135.778%0.77670%0.702SS**  cis-167.3169.8-15.3-129-171.1160.900111.4
416V30Very low30.1Very low108 Ų108141.2 Ų141.266%0.65571%0.71SS**  trans51.8127.4145.8163.60000121.1
417E29.8Very low30.2Very low155 Ų155142.1 Ų142.172%0.72472%0.715SS**  72.5161.974.5-110.8-177.5-177.700115.9V419E417-V419 HydrophobicContact CG-CG2 3.76Å; E417-V419 WeakPolarHBondContact OE1-CG2 3.48Å
418E29.2Very low30.3Very low138 Ų138141 Ų14165%0.64571%0.709SS**  cis-79.3175-2.5-79.9-156.9101.300114.3K420E418-K420 WeakPolarHBondContact OE1-CE 3.18Å; E418-K420 WeakPolarHBondContact OE1-CG 3.49Å; E418-K420 WeakPolarHBondContact OE2-CE 3.42Å
419V34.7Very low30.5Very low99 Ų99140 Ų14060%0.671%0.705SS**  cis94.3164.910.4174.20000116.7E417E417-V419 HydrophobicContact CG-CG2 3.76Å; E417-V419 WeakPolarHBondContact OE1-CG2 3.48Å
420K29.3Very low30.6Very low126 Ų126141.5 Ų141.555%0.54871%0.708SS.*  trans87.2156.3179.4-56.6-172.3159.7-66.90117.1E418E418-K420 WeakPolarHBondContact OE1-CE 3.18Å; E418-K420 WeakPolarHBondContact OE1-CG 3.49Å; E418-K420 WeakPolarHBondContact OE2-CE 3.42Å
421E33.4Very low30.8Very low150 Ų150142.4 Ų142.470%0.70172%0.717SS**  cis-177.4155.5-30-101.4151.6-16300105.7
422E33.6Very low30.8Very low141 Ų141143.5 Ų143.566%0.65972%0.722SS**  cis-153.3171.1-18.6-117.5-115.49000103.8K424E422-K424 IonicContact OE1-NZ 2.63Å; E422-K424 PolarHBondContact OE1-NZ 2.88Å; E422-K424 IonicContact OE2-NZ 3.95Å; E422-K424 PolarHBondContact OE2-NZ 3.14Å
423S34.4Very low30.9Very low85 Ų85139.9 Ų139.959%0.59472%0.722SS**  cis-156.1172.919.2-156.30000114.2
424K32Very low31.2Very low145 Ų145139.4 Ų139.463%0.6372%0.723SS**  trans-27.1145.5164.9-53159-168.476.80118.9E422E422-K424 IonicContact OE1-NZ 2.63Å; E422-K424 PolarHBondContact OE1-NZ 2.88Å; E422-K424 IonicContact OE2-NZ 3.95Å; E422-K424 PolarHBondContact OE2-NZ 3.14Å
425N25.9Very low31Very low158 Ų158138.1 Ų138.185%0.84573%0.726SS**  -170.1161.9104-100.5-4.8000114.2
426E32.6Very low31.1Very low182 Ų182136 Ų13685%0.8573%0.729SS**  trans-86.1178.9-176.9-57.7175.2122.600111.3
427V29.3Very low31Very low147 Ų147136 Ų13689%0.89173%0.734SS**  cis-148.3168.843-1800000111.8
428N30.4Very low31.8Very low145 Ų145133.8 Ų133.878%0.77573%0.733SS**  trans-94.9169.8-154-166.229.7000117.3
429I33.7Very low31.9Very low143 Ų143132.8 Ų132.873%0.73374%0.736SS**  trans-95.6149.3165.4-64.7168.4000109.4
430E29.9Very low31.7Very low177 Ų177135 Ų13583%0.82775%0.745SS**  trans-111.8131.2166.8-71-164.5138.500112.5
431D33.5Very low31.7Very low163 Ų163136.6 Ų136.687%0.87276%0.759SS**  trans-150.5131.2154.6-127.8-22.2000105.9
432Q32.8Very low31.5Very low170 Ų170138.4 Ų138.479%0.79477%0.765SS**  trans-149.5139.2-177.1-85.5-151.94900115
433A29.3Very low32.1Very low83 Ų83136.2 Ų136.269%0.68676%0.762SS**  trans69.7152.6143.500000119.7
434S33.2Very low31.9Very low99 Ų99140.2 Ų140.269%0.69277%0.772SS**  cis-167.9150.1-22.6-100.80000112
435T26.1Very low31.6Very low121 Ų121139.6 Ų139.674%0.74278%0.775SS**  trans55.7137.3144.4580000123.9
436S29.6Very low31.9Very low121 Ų121137.2 Ų137.285%0.84676%0.763SS**  trans84.3152.7140.3670000121.3
437S28.1Very low31.9Very low107 Ų107136.9 Ų136.975%0.74876%0.758SS**  trans-135.5-165-167.661.90000108.8
438P47.4Very low31.9Very low109 Ų109138.3 Ų138.371%0.70876%0.755SS**  cis-138.3-160.6-6.826.40.5000114.5
439V31.5Very low32.1Very low117 Ų117138.3 Ų138.371%0.70976%0.755SS**  trans99.3122151.1-170.10000119.4
440D30.4Very low32Very low147 Ų147139.4 Ų139.479%0.78675%0.754SS**  trans36.5149.6150.7-54.6-27.7000121.4
441D28.5Very low31.9Very low159 Ų159139 Ų13985%0.8575%0.752SS**  cis-157.9-174.345-150.2-21.9000114.3
442K30.1Very low31.6Very low188 Ų188135 Ų13582%0.81775%0.75SS**  trans-117.9-170.1177.6-121.2-178.6-178.41780108.8
443P44.8Very low31.5Very low94 Ų94134.4 Ų134.461%0.6175%0.751SS**  cis-134-161-10.341.1-21.6000113.8
444Q29.8Very low31.3Very low170 Ų170136 Ų13679%0.79475%0.752SS**  trans68.6157.9149.6-77.4179.4-19.400119.7
445D27.6Very low30.8Very low131 Ų131137.1 Ų137.170%0.70176%0.755SS**  cis-172171.2-37.4-133.5-44.6000110
446N31.2Very low31.1Very low109 Ų109137 Ų13758%0.58376%0.759SS**  trans95.7120164.5-60-88000120.5
447K32.4Very low31.2Very low175 Ų175135.3 Ų135.376%0.76175%0.747SS**  63153.9126.6-61.3168.2-173.6150.30118.8
448E30.3Very low31.2Very low176 Ų176139 Ų13982%0.82275%0.753SS**  cis-140.7-147.912.4-146.7167.6138.400113.3
449L33.6Very low30.4Very low146 Ų146138.6 Ų138.676%0.76476%0.759SS**  trans-119.3154.9-153.2-82.5163.4000115.8
450K32.9Very low30.4Very low165 Ų165141.5 Ų141.572%0.71776%0.762SS**  trans78.7123145-79.6-173.7170.1-161.90123.9
451E27.7Very low30.4Very low170 Ų170143.8 Ų143.879%0.79477%0.765SS**  39.2129.9115.9-53.6175.4128.600121.2
452G26.6Very low30.5Very low79 Ų79143.2 Ų143.281%0.81476%0.757SS**  trans167.690.5159.200000120
453L29.6Very low30.4Very low156 Ų156143 Ų14382%0.81776%0.759SS**  trans-20138.6166.4-84.269.7000123
454T25Very low29.7Very low116 Ų116148.5 Ų148.571%0.71277%0.769SS**  trans52.3138.1132.769.90000121.7
455T24.7Very low29.6Very low124 Ų124147.9 Ų147.976%0.76177%0.771SS**  -177.9157.564.541.10000112.7
456S30.8Very low29.9Very low119 Ų119148 Ų14883%0.83277%0.772SS**  trans59.4159.2153.5-79.90000121.5
457S33.1Very low29.7Very low85 Ų85149.2 Ų149.259%0.59478%0.783SS**  cis-159.6169.6-1349.80000112.3
458E28.2Very low29.8Very low183 Ų183149 Ų14986%0.85579%0.785SS**  trans67.7157.1158.2-72.1151.4108.900119.2
459A29.1Very low30Very low102 Ų102147.6 Ų147.684%0.84378%0.779SS**  cis-138-1708.700000113.7
460K32.7Very low29.9Very low178 Ų178146.5 Ų146.577%0.77477%0.773SS**  trans-108.7155-163.2-53.8177.2176.1-173.50117.5
461K29.2Very low30.1Very low195 Ų195144.8 Ų144.885%0.84877%0.766SS**  -174.6131.8126.8-100.9177.2177.2-174.20107.6
462E30.9Very low30.4Very low146 Ų146143.8 Ų143.868%0.68276%0.761SS**  64.1127.954.3-61.2175.5-144.900111.7
463Q28.8Very low30.6Very low183 Ų183145.4 Ų145.486%0.85575%0.748SS**  cis-149.2173.227.8-169.1167.2-6.300113.9
464Y29.9Very low30.8Very low211 Ų211148.3 Ų148.383%0.82775%0.748SS**  trans-73.5163.3179.4-75.6-111.4000115.2
465D27.4Very low31.1Very low156 Ų156147.3 Ų147.383%0.83475%0.751SS**  -152.1158.8110.6-137.4-36.6000111.9
466D33.3Very low31.2Very low135 Ų135145.4 Ų145.472%0.72276%0.756SS**  trans-159.3129.2-168-165.45.3000110.5
467T28Very low31.2Very low133 Ų133142.5 Ų142.582%0.81675%0.745SS**  trans-155.2152.9-177.4-54.60000113.9
468E33.7Very low31Very low171 Ų171145.6 Ų145.680%0.79976%0.755SS**  trans-121.2-174.8-155.9-107.4-86.1-148.400114.9
469E34.1Very low31.1Very low147 Ų147147 Ų14769%0.68775%0.753SS**  trans84.399.5150.7-82.1-169.2-136.900124.2K471E469-K471 IonicContact OE2-NZ 2.74Å
470D32.8Very low31.1Very low123 Ų123147.9 Ų147.966%0.65874%0.739SS**  97.1154.499.3-135.1-2.4000126.5
471K36.8Very low30.9Very low129 Ų129147 Ų14756%0.56174%0.738SS**  trans78.8118.4149.6-76.2153.6-171.1113.80126.2E469E469-K471 IonicContact OE2-NZ 2.74Å
472Q33.3Very low30.8Very low148 Ų148142.6 Ų142.669%0.69273%0.732SS**  70.3157128-66.4177.5-73.200120.9
473E32.3Very low30.8Very low114 Ų114140 Ų14053%0.53373%0.73SS.*  cis-165.2162.8-6.1-122.4177.2-16000115.4
474R32.4Very low30.8Very low216 Ų216139.1 Ų139.182%0.81573%0.731SS**  trans66163.1153.1-69.3178.7-145.3-143-0.5121.3
475A30.9Very low30.6Very low95 Ų95132.1 Ų132.179%0.78572%0.723SS**  cis-171.7160.4-28.800000113.7
476G28.6Very low30.9Very low84 Ų84133.9 Ų133.987%0.86673%0.726SS**  trans83.2156.2170.100000116.3
477G29.6Very low30.7Very low59 Ų59131.2 Ų131.261%0.60872%0.718SS**  cis172.4-174.5-2.800000109.8
478N29.8Very low30.8Very low150 Ų150131.5 Ų131.580%0.80271%0.714SS**  cis-171.5141.5-24.5-85.2-19.5000110.3
479R29.5Very low30.5Very low213 Ų213129.9 Ų129.980%0.80471%0.711SS**  trans64.2162.2161.3-65172.997.2140.15.1117.4
480E30.3Very low30.3Very low120 Ų120127.1 Ų127.156%0.56171%0.713SS**  cis-156.7138.9-7.6-119.4158.4168.300110.1
481E26.5Very low30.2Very low159 Ų159127.9 Ų127.974%0.74372%0.718SS**  78.4141.5103.9-91.6-167-160.600120.7
482S28.1Very low30Very low102 Ų102128.9 Ų128.971%0.71373%0.727SS**  trans64.1155.1144.5-64.90000120.4
483S30.3Very low29.8Very low93 Ų93124.5 Ų124.565%0.6572%0.722SS**  cis-168165-10.345.70000111.2
484N28.4Very low29.8Very low164 Ų164129.1 Ų129.188%0.87774%0.744SS**  trans66155.8166.7-59.4-6.9000118.1
485G27.3Very low29.6Very low64 Ų64122.3 Ų122.366%0.6674%0.741SS**  cis139.9138.2-12.200000114.3
486H32.4Very low29.8Very low192 Ų192127.5 Ų127.589%0.88974%0.74SS**  trans67153.2174.8-79.664.3000116.3
487S30.6Very low30.2Very low79 Ų79132.4 Ų132.455%0.55274%0.738SS**  cis-176155.4-1650.20000111.8
488N28.5Very low30.4Very low140 Ų140134.8 Ų134.875%0.74973%0.733SS**  trans66.5162.4151.8-64.219.8000117.6
489D28.9Very low30.5Very low136 Ų136135.1 Ų135.173%0.72773%0.733SS**  cis-158.4163.2-22-115-46000110.5
490A30Very low30.8Very low89 Ų89132 Ų13274%0.73673%0.727SS**  trans59.3174.1159.100000117.7
491D30.3Very low30.9Very low140 Ų140132.4 Ų132.475%0.74973%0.734SS**  cis-146.7-179.90.1-152.32.8000113.8
492I33.1Very low31.3Very low149 Ų149129.9 Ų129.976%0.76473%0.734SS**  trans-33.2150.3162-66.3160.5000114.1
493G29Very low31.5Very low57 Ų57130 Ų13059%0.58873%0.734SS**  cis130.8139.22.100000112.7
494E31.1Very low31.5Very low210 Ų210133.8 Ų133.898%0.98174%0.744SS**  trans60.8166.8176.8-51-162.1142.700115.4
495G28.8Very low32.7Very low73 Ų73132 Ų13275%0.75374%0.741SS**  cis-167.4159.3-1.300000114
496R35Very low32.9Very low205 Ų205131.8 Ų131.877%0.77474%0.739SS**  trans-49.4164.3-180-39.2171.6-172.4179.80.8117.1E498R496-E498 HydrophobicContact CB-CG 4.47Å; R496-E498 WeakPolarHBondContact CD-OE1 3.06Å; R496-E498 IonicContact CZ-OE1 3.15Å; R496-E498 IonicContact NE-OE1 3.01Å; R496-E498 IonicContact NH1-OE1 3.3Å; R496-E498 PolarHBondContact NH1-OE1 2.96Å
497K36.1Very low32.9Very low186 Ų186131.5 Ų131.581%0.80974%0.738SS**  -166.4138.9113.3-95.9158.4178.9-168.30108.7
498E33.9Very low32.9Very low110 Ų110133.7 Ų133.751%0.51475%0.749SS.*  cis76.9127.741.9-59.9167.1175.800113.9R496R496-E498 HydrophobicContact CB-CG 4.47Å; R496-E498 WeakPolarHBondContact CD-OE1 3.06Å; R496-E498 IonicContact CZ-OE1 3.15Å; R496-E498 IonicContact NE-OE1 3.01Å; R496-E498 IonicContact NH1-OE1 3.3Å; R496-E498 PolarHBondContact NH1-OE1 2.96Å
499I32.3Very low33Very low156 Ų156135.6 Ų135.680%0.875%0.753SS**  trans-165.5121.2148.6-94.5147.1000104.1
500E36.3Very low33.2Very low147 Ų147135 Ų13569%0.68776%0.76SS**  78.6143.956.7-74.4-167.9-16900112.8
501N33.2Very low33.3Very low129 Ų129138.5 Ų138.569%0.6977%0.766SS**  cis-150.8-172.612.4-113.6-33.9000109.8
502S34.3Very low33.2Very low107 Ų107138.6 Ų138.675%0.74877%0.767SS**  cis-155.1161.923.151.50000116.2
503S30.9Very low33.2Very low103 Ų103138.3 Ų138.372%0.7276%0.762SS**  trans-15160.1166.8-43.70000123.4
504M31.2Very low33.4Very low173 Ų173142.6 Ų142.685%0.85277%0.765SS**  cis68.216232.9-73.9-69-169.800115.7
505P54Low33.5Very low126 Ų126142 Ų14282%0.81876%0.758SS**  cis-115.5-164.1-143.7-30.9000112.8
506G30.8Very low33.5Very low61 Ų61142 Ų14263%0.62976%0.759SS**  cis143.9135-14.300000115.6
507E33.1Very low33.3Very low185 Ų185138.5 Ų138.586%0.86477%0.766SS**  trans63164.5169.2-51.8-160.1150.400119.1
508T30.5Very low33.1Very low126 Ų126133 Ų13377%0.77376%0.762SS**  cis-139.7-161.13-21.70000112.7
509Q31Very low33.1Very low179 Ų179132.3 Ų132.384%0.83678%0.775SS**  trans-96.7163-165.3-55.5166.8-44.800116.3
510S32.8Very low33.3Very low125 Ų125130.8 Ų130.887%0.87477%0.773SS**  trans178163.2135.940.90000114.3
511D31.6Very low33.1Very low161 Ų161134.5 Ų134.586%0.86178%0.781SS**  trans-105.2165.6-175.7-74.3-71.9000115.4
512N29.4Very low33.2Very low143 Ų143133.1 Ų133.177%0.76578%0.781SS**  trans91131.2137.5-124.53.1000122.8
513E31.2Very low33.1Very low143 Ų143132.7 Ų132.767%0.66878%0.778SS**  trans56.1152.1154.8-67.9-159.2119.800120.2
514K34.7Very low33.2Very low147 Ų147132.7 Ų132.764%0.63978%0.779SS**  cis-173.1146.136.1-143.2176.1-15483.60111.7
515K32.3Very low33.4Very low196 Ų196135 Ų13585%0.85278%0.777SS**  trans59.2149.3162.2-68.6170.4179.9-176.20116.5
516G29.5Very low32.3Very low74 Ų74134.7 Ų134.776%0.76377%0.774SS**  cis108.1139.235.200000108.5
517S31.3Very low32.5Very low131 Ų131135.9 Ų135.992%0.91677%0.772SS**  cis-169.5155.812.152.20000112
518G30.2Very low32.4Very low71 Ų71133.1 Ų133.173%0.73276%0.763SS**  trans138.8125.1168.700000111.7
519A35.4Very low32.6Very low96 Ų96134 Ų13479%0.79376%0.759SS**  cis77.9127.348.500000113.4
520T35.1Very low32.7Very low123 Ų123132.7 Ų132.776%0.75575%0.753SS**  cis-165.8158.3-9.529.90000110.2
521R33.1Very low33Very low226 Ų226135.4 Ų135.485%0.85375%0.752SS**  trans135.1109.5139-76178.7175.7160.5-0.3111.2
522S34.9Very low33.1Very low99 Ų99134.6 Ų134.669%0.69275%0.747SS**  67.2130.174.277.50000112.8
523S32.8Very low33.5Very low98 Ų98133.8 Ų133.869%0.68575%0.747SS**  cis-159159.828.4-48.20000114.3
524S32.6Very low33.7Very low104 Ų104133.6 Ų133.673%0.72775%0.75SS**  trans25.6154.9132.976.40000122.2
525R34.2Very low33.6Very low220 Ų220135.9 Ų135.983%0.8376%0.759SS**  cis-176172.723.8-141.7176.7-176.5174.6-0.8111.1
526T32.8Very low33.7Very low120 Ų120130.7 Ų130.774%0.73675%0.748SS**  trans62.9156.7151.540.90000121.1
527S34.1Very low34Very low86 Ų86135.2 Ų135.260%0.60175%0.747SS**  cis176.8146.4-3551.80000113.1
528N31.7Very low34Very low127 Ų127134.2 Ų134.268%0.67973%0.731SS**  trans71.4136.1152.6-59.212.6000119.6
529Q34.6Very low34.1Very low146 Ų146138.9 Ų138.968%0.68273%0.733SS**  71.2154.3104.6-62.5172.8-106.300115.4
530E32Very low34.3Very low151 Ų151138 Ų13871%0.70673%0.727SS**  cis-120.1174.2-1.5-99.190.5-149.300109.7
531E38.6Very low35.3Very low181 Ų181137.9 Ų137.985%0.84673%0.728SS**  cis82.1161.646.6-60.4-147.5146.700117.8
532D34.7Very low35.4Very low145 Ų145135.1 Ų135.178%0.77573%0.728SS**  trans66.7134-171-68-30.3000117.8
533V37.3Very low35.6Very low126 Ų126139.4 Ų139.476%0.76474%0.737SS**  cis78.1117.114.2-151.30000114.9
534I35.8Very low35.7Very low139 Ų139140.4 Ų140.471%0.71374%0.744SS**  168.4130.1102.1-85.9178.7000111.1
535K32.7Very low35.7Very low195 Ų195138.6 Ų138.685%0.84874%0.742SS**  trans50.6169.9149.8-82.3-173.2174.71730121.7
536S34.3Very low35.7Very low87 Ų87137 Ų13761%0.60874%0.744SS**  cis-172157.3-20.850.20000113
537K35.5Very low35.8Very low169 Ų169139.9 Ų139.974%0.73575%0.749SS**  trans70.3149152.1-76.5-175.6144.3-70.30119.2
538D32.3Very low35.8Very low110 Ų110141.8 Ų141.859%0.58875%0.748SS**  cis-118.6-103.5-16.5-86.6-58.7000110.7
539E32.7Very low35.9Very low168 Ų168142.5 Ų142.579%0.78575%0.745SS**  cis-162164.5-15.9-165.949.5-80.800110.7
540A39Very low36Very low79 Ų79143.7 Ų143.765%0.65376%0.755SS**  trans-148.9-179.4-179.900000113.4
541P56.8Low35.9Very low119 Ų119143.7 Ų143.777%0.77376%0.759SS**  cis-127.2-158.2-11.943.7-27000112.3
542I35.1Very low35.5Very low168 Ų168138.7 Ų138.786%0.86276%0.756SS**  trans178.1160.4142.5-96.2158.5000112.7
543E38Very low35.4Very low190 Ų190141.8 Ų141.889%0.88877%0.766SS**  trans-142.5140.5-170.8173.4179.6-13400112.5
544S35.1Very low35.1Very low119 Ų119139.5 Ų139.583%0.83277%0.768SS**  trans-178.6167.5169.158.10000109.9
545G32.5Very low34.9Very low65 Ų65141.6 Ų141.667%0.6778%0.781SS**  cis129.1145.72.800000112.1
546E34.8Very low34.7Very low187 Ų187135.6 Ų135.687%0.87478%0.775SS**  cis-156.1118.9-4.2-57.8-178.8104.900111.2
547E34.6Very low34.6Very low180 Ų180141.3 Ų141.384%0.84179%0.788SS**  trans52.5-169.8155.5-44.7-166135.800119.6
548E33.6Very low34.7Very low127 Ų127139.4 Ų139.459%0.59379%0.791SS**  cis-154.1170.6-3.9-142.7-163.2-152.600113.5
549K34.4Very low34.7Very low142 Ų142141.3 Ų141.362%0.61780%0.796SS**  trans-6.9153165.8-65.6165.4-154.6139.10123.3
550I36.2Very low34.7Very low171 Ų171138.9 Ų138.988%0.87779%0.793SS**  -148153.2110.5-40.9-179.8000110.2
551N29.6Very low34.4Very low150 Ų150142.5 Ų142.580%0.80280%0.796SS**  trans-102164.5178.8-57.6-36.4000113.9
552G30.7Very low33.2Very low76 Ų76142.2 Ų142.278%0.78479%0.792SS**  trans-169138.2168.300000114.4
553E31.5Very low33.1Very low210 Ų210142.4 Ų142.498%0.98179%0.789SS**  trans-82.1162.6-165.9-60.9160.684.500116.4
554G31.1Very low33.8Very low78 Ų78138 Ų13880%0.80478%0.778SS**  trans160.993.8162.500000116.3
555N31.4Very low33.7Very low183 Ų183140.6 Ų140.698%0.97978%0.776SS**  trans-79.9147.3-176.8-86.1-50.2000115.1
556G30Very low33.8Very low70 Ų70143.9 Ų143.972%0.72278%0.783SS**  trans-140.4-7.7-165.100000121.6
557K32.3Very low33.7Very low206 Ų206141.9 Ų141.990%0.89678%0.779SS**  trans69.8134.2171.2-165.3173-176.6-177.10115.6
558V36.6Very low33.6Very low129 Ų129140.5 Ų140.578%0.78278%0.777SS**  cis-154.5166.7-7105.20000110.7
559E33.1Very low33.6Very low150 Ų150139.9 Ų139.970%0.70179%0.787SS**  trans-79.4-168.3177.5-61.9169.4109.300111.8
560T32.3Very low33.7Very low118 Ų118137 Ų13772%0.72479%0.79SS**  cis-161.1129.926.2-49.50000106.4
561Q32Very low33.5Very low154 Ų154133.7 Ų133.772%0.7278%0.782SS**  81.1138.159.5-144.4-163.5109.200114.8
562V31.9Very low33.7Very low113 Ų113132.3 Ų132.369%0.68578%0.782SS**  trans81.3105.1163.7-161.10000119.4
563E34Very low34Very low172 Ų172138 Ų13880%0.80479%0.789SS**  27168.2107.6-65.7-75.4127.800120.7
564P53Low34.1Very low99 Ų99135.1 Ų135.164%0.64378%0.78SS**  cis-136.6-165.5-24.539.7-20.3000114.2
565E32.7Very low34.6Very low173 Ų173135 Ų13581%0.80877%0.771SS**  trans44.9132.4154.6-64.7-157.7-166.500123.1
566T33.6Very low35.2Very low133 Ų133131.6 Ų131.682%0.81676%0.757SS**  178160.6103.429.70000112.9
567N33.3Very low35.6Very low145 Ų145137 Ų13778%0.77576%0.764SS**  trans-103.7146.1166.4-63.4-81.2000110.2
568N33Very low36.2Very low151 Ų151130.7 Ų130.781%0.80775%0.75SS**  158.9149123.6-82-36.6000114.2
569S32.9Very low36.6Very low114 Ų114135.7 Ų135.780%0.79776%0.755SS**  trans35.9145.3143.870.50000121.5
570A36.9Very low37.2Very low82 Ų82141.1 Ų141.168%0.67878%0.78SS**  cis-166.3-177.236.800000113.2
571S32.1Very low37.4Very low102 Ų102142.3 Ų142.371%0.71378%0.783SS**  trans35.2118.7149.453.50000119.4
572C32.7Very low37.7Very low120 Ų120141.7 Ų141.781%0.81179%0.787SS**  cis55.3102.546.6-54.20000115.2
573E38Very low38Very low196 Ų196143.3 Ų143.392%0.91679%0.792SS**  trans168.7145.8148.7-96.5160.6-144.400105.4
574D33.7Very low38.3Very low149 Ų149141.6 Ų141.680%0.79779%0.792SS**  cis-178.3-158.6-16.6-172.63.3000103.2
575A42.4Very low37.4Very low76 Ų76144.3 Ų144.363%0.62880%0.801SS**  trans81.892.6-176.300000113.2
576T42.4Very low37.7Very low111 Ų111142.3 Ų142.368%0.68180%0.8SS**  68.311285.563.40000113.1
577E39.8Very low38Very low183 Ų183143 Ų14386%0.85580%0.799SS**  86.513089.2-165.5-177.5-17100111.5
578A44.1Very low38.3Very low74 Ų74142.8 Ų142.861%0.61280%0.801SS**  cis-163.8176-16.300000108.4
579R45Very low38.8Very low235 Ų235142.2 Ų142.289%0.88780%0.801SS**  trans55.4146.1155.9-75.1172.9172.4141.7-3.9118.2
580E45.4Very low39.3Very low264 Ų264144.7 Ų144.7100%1.23480%0.801SS**  cis-109.3012.5-64.9-17810700113.6

Retrieved 580 of 580 residues in 162.8 ms (Link to these results)

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