A0A087XFF6_POEFO Loading...

5'-3' exoribonuclease

Possesses 5'->3' exoribonuclease activity. May promote termination of transcription by RNA polymerase II.

AlphaFold DB , UniProt , Accession A0A087XFF6, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 967 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M44.9Very low74.1Confident58 Ų5840.1 Ų40.129%0.28623%0.225SC..  0177.70-69.1171.3-69.100109.5V342 G343 N344 I355M1-V342 WeakPolarHBondContact CG-O 3.42Å; M1-V342 HydrophobicContact SD-CB 4.19Å; M1-G343 WeakPolarHBondContact CE-O 3.4Å; M1-G343 VanDerWaalsContact SD-O 3.33Å; M1-N344 PolarHBondContact N-O 2.88Å; M1-I355 HydrophobicContact CB-CD1 4.31Å; M1-I355 HydrophobicContact CG-CD1 4.36Å; M1-I355 HydrophobicContact SD-CD1 3.78Å; M1-I355 HydrophobicContact SD-CG1 4.34Å
2G55.9Low75.3Confident40 Ų4051.6 Ų51.641%0.41226%0.263SS..  trans-86.2117.5170.300000111.6A5 F6G2-A5 WeakPolarHBondContact O-CA 3.27Å; G2-A5 VanDerWaalsContact O-CB 3.29Å; G2-A5 WeakPolarHBondContact O-CB 3.45Å; G2-A5 PolarHBondContact O-N 3.34Å; G2-F6 PolarHBondContact O-N 3.03Å; G2-F6 VanDerWaalsContact O-N 3.17Å
3V56Low76.5Confident34 Ų3451.9 Ų51.921%0.20626%0.261CS..Hα-helixtrans-51.9-47.8179.3169.10000112.9A5 F7 A232 D233 A234V3-A5 PolarHBondContact O-N 2.76Å; V3-F7 PolarHBondContact O-N 3.46Å; V3-A232 WeakPolarHBondContact CG1-O 3.17Å; V3-D233 HydrophobicContact CG2-CB 4.18Å; V3-A234 HydrophobicContact CG2-CB 4.24Å
4P65.1Low77.6Confident67 Ų6748.5 Ų48.544%0.43524%0.244SC..Hα-helixtrans-67.5-14.8175.2-20.233.6000114.4R8 F255P4-R8 WeakPolarHBondContact O-CB 3.38Å; P4-R8 PolarHBondContact O-N 2.68Å; P4-F255 HydrophobicContact CB-CE1 4.38Å
5A77.9Confident78.4Confident26 Ų2650.3 Ų50.322%0.21526%0.26CS..Hα-helixtrans-84.9-45.2179.200000111.8G2 V3 W9G2-A5 WeakPolarHBondContact O-CA 3.27Å; G2-A5 VanDerWaalsContact O-CB 3.29Å; G2-A5 WeakPolarHBondContact O-CB 3.45Å; G2-A5 PolarHBondContact O-N 3.34Å; V3-A5 PolarHBondContact O-N 2.76Å; A5-W9 PolarHBondContact O-N 3.44Å; A5-W9 VanDerWaalsContact O-N 3.1Å
6F84Confident79.1Confident1 Ų150.3 Ų50.30%0.00427%0.266CS..Hα-helixtrans-64.3-52.4174.8179.9-98.1000111G2 R8 W9 L10 A234 I237 M238 W335 I355 I360G2-F6 PolarHBondContact O-N 3.03Å; G2-F6 VanDerWaalsContact O-N 3.17Å; F6-R8 PolarHBondContact O-N 2.91Å; F6-W9 HydrophobicContact CD2-CE3 4.39Å; F6-W9 HydrophobicContact CE2-CE3 4.04Å; F6-W9 AromaticContact CE2-CZ3 3.97Å; F6-W9 HydrophobicContact CE2-CZ3 3.97Å; F6-W9 HydrophobicContact CZ-CZ3 4.34Å; F6-W9 PolarHBondContact O-N 3.01Å; F6-L10 HydrophobicContact CE1-CB 4.42Å; F6-L10 HydrophobicContact CE1-CD1 4.28Å; F6-L10 HydrophobicContact CE1-CD2 4.03Å; F6-L10 HydrophobicContact CZ-CD1 3.96Å; F6-L10 PolarHBondContact O-N 2.84Å; F6-A234 HydrophobicContact CB-CB 3.91Å; F6-A234 HydrophobicContact CD1-CB 3.78Å; F6-A234 HydrophobicContact CG-CB 4.11Å; F6-I237 HydrophobicContact CD1-CD1 4.36Å; F6-I237 HydrophobicContact CE1-CB 4.39Å; F6-I237 HydrophobicContact CE1-CD1 3.97Å; F6-I237 HydrophobicContact CE1-CG2 4.33Å; F6-M238 HydrophobicContact CD2-CE 4.46Å; F6-M238 HydrophobicContact CE1-CE 4.04Å; F6-M238 HydrophobicContact CE2-CE 3.49Å; F6-M238 VanDerWaalsContact CE2-CE 3.49Å; F6-M238 HydrophobicContact CZ-CE 3.24Å; F6-W335 HydrophobicContact CZ-CH2 4.26Å; F6-I355 HydrophobicContact CB-CD1 3.84Å; F6-I355 HydrophobicContact CD2-CD1 4.22Å; F6-I360 HydrophobicContact CD2-CD1 3.97Å; F6-I360 HydrophobicContact CE2-CD1 3.75Å
7F84.6Confident79.9Confident19 Ų1947.4 Ų47.48%0.08325%0.25CS..Hα-helixtrans-59.5-34.7179.7-179.9-110.5000112.5V3 L10 S11 I18 I302 I304V3-F7 PolarHBondContact O-N 3.46Å; F7-L10 PolarHBondContact O-N 3.3Å; F7-S11 VanDerWaalsContact O-CB 3.24Å; F7-S11 WeakPolarHBondContact O-CB 3.49Å; F7-S11 PolarHBondContact O-N 3.29Å; F7-S11 PolarHBondContact O-OG 2.88Å; F7-I18 HydrophobicContact CE2-CD1 4.01Å; F7-I18 HydrophobicContact CZ-CD1 3.64Å; F7-I18 HydrophobicContact CZ-CG1 4.46Å; F7-I302 HydrophobicContact CE1-CD1 4.2Å; F7-I302 HydrophobicContact CZ-CD1 3.6Å; F7-I304 HydrophobicContact CD2-CD1 3.9Å; F7-I304 HydrophobicContact CE2-CD1 3.51Å; F7-I304 HydrophobicContact CE2-CG1 4.04Å
8R84.1Confident80.6Confident136 Ų13647.1 Ų47.151%0.51325%0.249SC..Hα-helixtrans-72.5-28.7175.3-173179.6-167.8-1717.3114.2P4 F6 S11 R12P4-R8 WeakPolarHBondContact O-CB 3.38Å; P4-R8 PolarHBondContact O-N 2.68Å; F6-R8 PolarHBondContact O-N 2.91Å; R8-S11 WeakPolarHBondContact CA-OG 3.45Å; R8-S11 PolarHBondContact O-OG 3.36Å; R8-R12 WeakPolarHBondContact O-CB 3.47Å; R8-R12 WeakPolarHBondContact O-CD 3.47Å; R8-R12 WeakPolarHBondContact O-CG 3.32Å
9W88.1Confident81.2Confident30 Ų3045.6 Ų45.611%0.11424%0.242CC..Hα-helixtrans-70.6-49.3168.7169.690.6000109.9A5 F6 R12 K13 Y14 W335 I355 I360 D361A5-W9 PolarHBondContact O-N 3.44Å; A5-W9 VanDerWaalsContact O-N 3.1Å; F6-W9 HydrophobicContact CD2-CE3 4.39Å; F6-W9 HydrophobicContact CE2-CE3 4.04Å; F6-W9 AromaticContact CE2-CZ3 3.97Å; F6-W9 HydrophobicContact CE2-CZ3 3.97Å; F6-W9 HydrophobicContact CZ-CZ3 4.34Å; F6-W9 PolarHBondContact O-N 3.01Å; W9-R12 PolarHBondContact O-N 2.6Å; W9-K13 HydrophobicContact CH2-CD 4.15Å; W9-K13 HydrophobicContact CZ2-CD 3.6Å; W9-K13 PolarHBondContact O-N 3.17Å; W9-Y14 HydrophobicContact CH2-CE2 4.24Å; W9-Y14 HydrophobicContact CZ3-CE2 4.37Å; W9-W335 HydrophobicContact CH2-CZ2 4.13Å; W9-W335 HydrophobicContact CZ3-CZ2 4.22Å; W9-I355 HydrophobicContact CB-CG2 3.66Å; W9-I355 HydrophobicContact CG-CG2 3.92Å; W9-I360 HydrophobicContact CD2-CD1 4.13Å; W9-I360 HydrophobicContact CE3-CD1 3.84Å; W9-I360 HydrophobicContact CH2-CB 4Å; W9-I360 HydrophobicContact CH2-CD1 3.92Å; W9-I360 HydrophobicContact CH2-CG2 3.58Å; W9-I360 HydrophobicContact CZ2-CB 3.77Å; W9-I360 HydrophobicContact CZ2-CD1 4.17Å; W9-I360 HydrophobicContact CZ2-CG2 3.78Å; W9-I360 HydrophobicContact CZ3-CD1 3.73Å; W9-I360 HydrophobicContact CZ3-CG2 4.38Å; W9-D361 PolarHBondContact NE1-OD2 3.16Å
10L88.6Confident81.7Confident0 Ų048.3 Ų48.30%025%0.252CS..Hα-helixtrans-60.3-50.8-177-16179.1000112.4F6 F7 R12 K13 Y14 I17 I237 L309F6-L10 HydrophobicContact CE1-CB 4.42Å; F6-L10 HydrophobicContact CE1-CD1 4.28Å; F6-L10 HydrophobicContact CE1-CD2 4.03Å; F6-L10 HydrophobicContact CZ-CD1 3.96Å; F6-L10 PolarHBondContact O-N 2.84Å; F7-L10 PolarHBondContact O-N 3.3Å; L10-R12 VanDerWaalsContact C-N 3.26Å; L10-R12 PolarHBondContact O-N 3.44Å; L10-K13 PolarHBondContact O-N 3.28Å; L10-Y14 HydrophobicContact CD1-CD2 3.52Å; L10-Y14 HydrophobicContact CD1-CE2 3.68Å; L10-Y14 HydrophobicContact CG-CD2 4.02Å; L10-Y14 PolarHBondContact O-N 3.39Å; L10-I17 HydrophobicContact CD2-CD1 3.58Å; L10-I17 HydrophobicContact CG-CD1 3.76Å; L10-I237 HydrophobicContact CD2-CD1 3.8Å; L10-I237 HydrophobicContact CD2-CG2 4.14Å; L10-L309 HydrophobicContact CD1-CD1 4.04Å; L10-L309 HydrophobicContact CD2-CD2 4.45Å
11S86.4Confident82.3Confident30 Ų3046.8 Ų46.821%0.2125%0.246CC..Hα-helixtrans-61.5-29.217854.20000114.1F7 R8 P15 I18F7-S11 VanDerWaalsContact O-CB 3.24Å; F7-S11 WeakPolarHBondContact O-CB 3.49Å; F7-S11 PolarHBondContact O-N 3.29Å; F7-S11 PolarHBondContact O-OG 2.88Å; R8-S11 WeakPolarHBondContact CA-OG 3.45Å; R8-S11 PolarHBondContact O-OG 3.36Å; S11-P15 WeakPolarHBondContact O-CA 3.5Å; S11-I18 VanDerWaalsContact CB-CD1 3.5Å
12R88.4Confident84.4Confident178 Ų17847 Ų4767%0.67225%0.25SS*.Hα-helixtrans-78.6-38.2175.6-77175.1168.2179.4-11.1112.7R8 W9 L10R8-R12 WeakPolarHBondContact O-CB 3.47Å; R8-R12 WeakPolarHBondContact O-CD 3.47Å; R8-R12 WeakPolarHBondContact O-CG 3.32Å; W9-R12 PolarHBondContact O-N 2.6Å; L10-R12 VanDerWaalsContact C-N 3.26Å; L10-R12 PolarHBondContact O-N 3.44Å
13K90.5Very high86Confident56 Ų5647.6 Ų47.624%0.24324%0.242CC..Hα-helixtrans-81-37.9-176.7-165.9179.8171.9-174.80112.1W9 L10 P15 E316 D361W9-K13 HydrophobicContact CH2-CD 4.15Å; W9-K13 HydrophobicContact CZ2-CD 3.6Å; W9-K13 PolarHBondContact O-N 3.17Å; L10-K13 PolarHBondContact O-N 3.28Å; K13-P15 VanDerWaalsContact C-CD 3.44Å; K13-P15 WeakPolarHBondContact O-CD 3.47Å; K13-E316 WeakPolarHBondContact CE-OE2 3.5Å; K13-E316 IonicContact NZ-OE1 2.74Å; K13-E316 PolarHBondContact NZ-OE1 3.29Å; K13-E316 IonicContact NZ-OE2 2.9Å; K13-E316 PolarHBondContact NZ-OE2 3.04Å; K13-D361 WeakPolarHBondContact CE-OD1 3.48Å; K13-D361 IonicContact NZ-OD1 2.72Å; K13-D361 PolarHBondContact NZ-OD1 3.05Å
14Y92.1Very high87.5Confident4 Ų450.2 Ų50.22%0.01625%0.252CS..  trans-125.456.7-172.6-50.6-44.6000112W9 L10 S16 I17 L309 Y312 E316W9-Y14 HydrophobicContact CH2-CE2 4.24Å; W9-Y14 HydrophobicContact CZ3-CE2 4.37Å; L10-Y14 HydrophobicContact CD1-CD2 3.52Å; L10-Y14 HydrophobicContact CD1-CE2 3.68Å; L10-Y14 HydrophobicContact CG-CD2 4.02Å; L10-Y14 PolarHBondContact O-N 3.39Å; Y14-S16 PolarHBondContact O-N 2.99Å; Y14-I17 WeakPolarHBondContact O-CG1 3.31Å; Y14-I17 WeakPolarHBondContact O-CG2 3.48Å; Y14-I17 PolarHBondContact O-N 3.11Å; Y14-I17 VanDerWaalsContact O-N 3.14Å; Y14-L309 HydrophobicContact CD2-CD1 3.37Å; Y14-L309 HydrophobicContact CE2-CD1 3.62Å; Y14-L309 HydrophobicContact CG-CD1 4.17Å; Y14-Y312 AromaticContact CD1-CD1 3.55Å; Y14-Y312 HydrophobicContact CD1-CD1 3.55Å; Y14-Y312 HydrophobicContact CD1-CD2 4Å; Y14-Y312 HydrophobicContact CD1-CE1 4.08Å; Y14-Y312 HydrophobicContact CD1-CE2 4.48Å; Y14-Y312 AromaticContact CD1-CG 3.49Å; Y14-Y312 HydrophobicContact CD1-CG 3.49Å; Y14-Y312 VanDerWaalsContact CD1-CG 3.49Å; Y14-Y312 HydrophobicContact CE1-CD1 4.22Å; Y14-Y312 HydrophobicContact CE1-CG 4.17Å; Y14-Y312 HydrophobicContact CG-CD1 4.35Å; Y14-Y312 AromaticContact CG-CD2 3.99Å; Y14-Y312 HydrophobicContact CG-CD2 3.99Å; Y14-Y312 HydrophobicContact CG-CE2 4.42Å; Y14-Y312 AromaticContact CG-CG 3.94Å; Y14-Y312 HydrophobicContact CG-CG 3.94Å; Y14-E316 PolarHBondContact OH-OE2 2.95Å
15P89.4Confident88.2Confident75 Ų7553.1 Ų53.149%0.48726%0.258SS..G310 helixtrans-58.8-28.2-167.923.2-35000114.6S11 K13 I17 I18S11-P15 WeakPolarHBondContact O-CA 3.5Å; K13-P15 VanDerWaalsContact C-CD 3.44Å; K13-P15 WeakPolarHBondContact O-CD 3.47Å; P15-I17 PolarHBondContact O-N 3.24Å; P15-I18 PolarHBondContact O-N 2.94Å
16S90Very high88.1Confident51 Ų5153.1 Ų53.136%0.35726%0.26SS..G310 helixtrans-72.3-6-178.7-59.60000115.2Y14 I18 R305 Y312Y14-S16 PolarHBondContact O-N 2.99Å; S16-I18 VanDerWaalsContact C-N 3.28Å; S16-R305 PolarHBondContact O-NH2 3.36Å; S16-Y312 WeakPolarHBondContact CB-OH 3.14Å; S16-Y312 PolarHBondContact N-OH 2.96Å; S16-Y312 PolarHBondContact OG-OH 2.78Å
17I92.3Very high87.7Confident0 Ų060.4 Ų60.40%029%0.292CS..G310 helixtrans-71.8-24.317375.4-173.1000112.2L10 Y14 P15 I304 R305 V308 L309 Y312L10-I17 HydrophobicContact CD2-CD1 3.58Å; L10-I17 HydrophobicContact CG-CD1 3.76Å; Y14-I17 WeakPolarHBondContact O-CG1 3.31Å; Y14-I17 WeakPolarHBondContact O-CG2 3.48Å; Y14-I17 PolarHBondContact O-N 3.11Å; Y14-I17 VanDerWaalsContact O-N 3.14Å; P15-I17 PolarHBondContact O-N 3.24Å; I17-I304 HydrophobicContact CB-CG2 4.48Å; I17-I304 HydrophobicContact CD1-CG2 3.93Å; I17-I304 HydrophobicContact CG1-CG2 4.07Å; I17-R305 PolarHBondContact O-N 3.2Å; I17-V308 HydrophobicContact CG2-CB 4.18Å; I17-V308 HydrophobicContact CG2-CG1 4.14Å; I17-L309 HydrophobicContact CG2-CB 4.02Å; I17-Y312 HydrophobicContact CG2-CD2 3.92Å; I17-Y312 HydrophobicContact CG2-CE2 3.96Å
18I92.1Very high87.3Confident43 Ų4366.6 Ų66.622%0.22132%0.321CS..EExtended strand (participates in β ladder)trans-90.1137.2-175.2-62.2176.6000111.1F7 S11 P15 S16 I302 F303F7-I18 HydrophobicContact CE2-CD1 4.01Å; F7-I18 HydrophobicContact CZ-CD1 3.64Å; F7-I18 HydrophobicContact CZ-CG1 4.46Å; S11-I18 VanDerWaalsContact CB-CD1 3.5Å; P15-I18 PolarHBondContact O-N 2.94Å; S16-I18 VanDerWaalsContact C-N 3.28Å; I18-I302 HydrophobicContact CG2-CB 4.19Å; I18-I302 HydrophobicContact CG2-CD1 4.29Å; I18-I302 HydrophobicContact CG2-CG2 4.18Å; I18-F303 WeakPolarHBondContact CA-O 3.2Å
19V91.9Very high86.4Confident19 Ų1963 Ų6312%0.11532%0.316CS..EExtended strand (participates in β ladder)trans-137.8130.4171.4176.50000108.3I302 F303 R305 F810V19-I302 CarbonylContact O-C 3.55Å; V19-I302 WeakPolarHBondContact O-CA 3.47Å; V19-F303 HydrophobicContact CB-CB 4.49Å; V19-F303 PolarHBondContact N-O 2.91Å; V19-F303 PolarHBondContact O-N 3.33Å; V19-R305 VanDerWaalsContact CG2-CZ 3.48Å; V19-F810 HydrophobicContact CB-CE2 4.39Å; V19-F810 HydrophobicContact CG1-CD2 4.38Å; V19-F810 HydrophobicContact CG1-CE2 4.17Å
20H92.2Very high85.5Confident98 Ų9869.9 Ų69.945%0.45436%0.356SS..EExtended strand (participates in β ladder)trans-71.8140.5171.7-65.6-103.4000110.5E254 E300H20-E254 IonicContact CE1-OE1 2.83Å; H20-E254 IonicContact CE1-OE2 3.52Å; H20-E254 PolarHBondContact CE1-OE2 3.4Å; H20-E254 IonicContact ND1-OE2 3.33Å; H20-E300 IonicContact ND1-OE2 3.58Å
21C93Very high84.5Confident18 Ų1872.8 Ų72.812%0.12239%0.385CS..  trans-71143.6178.8-57.90000111I91 F301 F303C21-I91 HydrophobicContact CB-CG2 3.93Å; C21-F301 HydrophobicContact CB-CB 3.94Å; C21-F301 WeakPolarHBondContact CB-O 3.34Å; C21-F301 PolarHBondContact N-O 3.09Å; C21-F301 VanDerWaalsContact SG-CB 3.51Å; C21-F301 PolarHBondContact SG-O 2.96Å; C21-F301 VanDerWaalsContact SG-O 3.36Å; C21-F303 HydrophobicContact CB-CD2 4.47Å; C21-F303 HydrophobicContact CB-CE2 4.13Å; C21-F303 WeakPolarHBondContact SG-CD2 3.43Å; C21-F303 WeakPolarHBondContact SG-CE2 3.06Å
22V91.1Very high83.5Confident63 Ų6376 Ų7638%0.38240%0.403SS..  trans-94.9110.5168.7-174.60000107.5P43 N44V22-P43 HydrophobicContact CB-CB 4.36Å; V22-P43 HydrophobicContact CG1-CB 3.94Å; V22-N44 PolarHBondContact N-OD1 2.73Å; V22-N44 PolarHBondContact O-ND2 3.38Å
23E89.1Confident82.7Confident52 Ų5276.4 Ų76.424%0.24341%0.405CS..PPolyproline II helixtrans-100.8117-179.3-51.5-168.9-143.700110.2R87 I91E23-R87 IonicContact OE1-CZ 3.99Å; E23-R87 IonicContact OE1-NE 2.76Å; E23-R87 IonicContact OE1-NH2 2.76Å; E23-R87 PolarHBondContact OE1-NH2 2.91Å; E23-R87 IonicContact OE2-CZ 2.83Å; E23-R87 VanDerWaalsContact OE2-CZ 3.25Å; E23-R87 IonicContact OE2-NE 2.76Å; E23-R87 PolarHBondContact OE2-NE 3.46Å; E23-R87 IonicContact OE2-NH2 3.72Å; E23-R87 PolarHBondContact OE2-NH2 3.05Å; E23-I91 HydrophobicContact CG-CD1 3.86Å; E23-I91 HydrophobicContact CG-CG1 3.94Å
24E85.8Confident82.1Confident88 Ų8877.7 Ų77.741%0.41141%0.413SS..PPolyproline II helixtrans-74.9124.3165.4-81.8-178.3173.200109.1V36 P43 R93E24-V36 HydrophobicContact CB-CG1 3.95Å; E24-V36 VanDerWaalsContact O-CG2 3.25Å; E24-V36 WeakPolarHBondContact O-CG2 3.39Å; E24-P43 HydrophobicContact CG-CB 4.2Å; E24-P43 HydrophobicContact CG-CG 4.04Å; E24-R93 IonicContact OE2-CZ 3.17Å; E24-R93 IonicContact OE2-NH1 3.11Å; E24-R93 IonicContact OE2-NH2 2.72Å; E24-R93 PolarHBondContact OE2-NH2 2.92Å
25K80.8Confident81.5Confident128 Ų12882.7 Ų82.756%0.55745%0.446SS*.PPolyproline II helixtrans-93.1134.2175.6-65.5-171.2178.7-176.60111E298K25-E298 WeakPolarHBondContact CE-OE2 3.17Å; K25-E298 IonicContact NZ-OE1 2.64Å; K25-E298 PolarHBondContact NZ-OE1 3Å; K25-E298 IonicContact NZ-OE2 3.81Å; K25-E298 PolarHBondContact NZ-OE2 3.43Å
26G75Confident81.4Confident26 Ų2680.2 Ų80.227%0.26843%0.43SS..PPolyproline II helixtrans-57141.1170.700000111.1I34G26-I34 CarbonylContact C-O 3.46Å; G26-I34 WeakPolarHBondContact CA-O 3.13Å
27K76.8Confident81.5Confident154 Ų15480.9 Ų80.967%0.6743%0.429SS*.EExtended strand (participates in β ladder)trans-99.4124.7-171.1-67.1177.7-178.3173.90110.3I34K27-I34 PolarHBondContact N-O 3.42Å; K27-I34 VanDerWaalsContact N-O 3.09Å; K27-I34 WeakPolarHBondContact O-CB 3.35Å; K27-I34 PolarHBondContact O-N 3.18Å
28E76.8Confident81.5Confident149 Ų14981 Ų8170%0.69643%0.43SS*.EExtended strand (participates in β ladder)trans-76.2132.1168.7-160.8-175.7148.700110.2G31 V32E28-G31 WeakPolarHBondContact OE1-CA 3.31Å; E28-V32 WeakPolarHBondContact CA-O 3.34Å
29C65.2Low81.5Confident60 Ų6082.4 Ų82.441%0.40544%0.441SS..EExtended strand (participates in β ladder)trans-139.6115.6176.7-73.60000108.2G31 V32 I34C29-G31 VanDerWaalsContact C-N 3.29Å; C29-G31 PolarHBondContact O-N 2.9Å; C29-V32 PolarHBondContact N-O 2.9Å; C29-V32 WeakPolarHBondContact O-CB 3.27Å; C29-V32 PolarHBondContact O-N 3.4Å; C29-I34 HydrophobicContact CB-CD1 3.88Å; C29-I34 HydrophobicContact CB-CG1 4.36Å
30N68.1Low81.6Confident176 Ų17686.5 Ų86.594%0.94146%0.457SS*.THydrogen-bonded Turntrans53.838.6-179.8-53.3-21.9000114.1V32N30-V32 PolarHBondContact O-N 3.43Å
31G67.4Low81.7Confident60 Ų6086.8 Ų86.862%0.61947%0.468SS*.THydrogen-bonded Turntrans78.7-1.1-176.200000115.1E28 C29E28-G31 WeakPolarHBondContact OE1-CA 3.31Å; C29-G31 VanDerWaalsContact C-N 3.29Å; C29-G31 PolarHBondContact O-N 2.9Å
32V66.3Low81.8Confident98 Ų9886.3 Ų86.359%0.59446%0.464SS*.EExtended strand (participates in β ladder)trans-101120.3174.2-176.70000109.2E28 C29 N30 I34E28-V32 WeakPolarHBondContact CA-O 3.34Å; C29-V32 PolarHBondContact N-O 2.9Å; C29-V32 WeakPolarHBondContact O-CB 3.27Å; C29-V32 PolarHBondContact O-N 3.4Å; N30-V32 PolarHBondContact O-N 3.43Å; V32-I34 PolarHBondContact O-N 3.09Å
33R72.1Confident81.9Confident187 Ų18784.9 Ų84.971%0.70646%0.456SS*.EExtended strand (participates in β ladder)trans-78.6103.4174.1-173.2178.5-178.6-165.5-0.9109.4
34I76.9Confident82Confident82 Ų8282.7 Ų82.742%0.42145%0.446SS..EExtended strand (participates in β ladder)trans-70.1124.2173.7-55178.2000108G26 K27 C29 V32G26-I34 CarbonylContact C-O 3.46Å; G26-I34 WeakPolarHBondContact CA-O 3.13Å; K27-I34 PolarHBondContact N-O 3.42Å; K27-I34 VanDerWaalsContact N-O 3.09Å; K27-I34 WeakPolarHBondContact O-CB 3.35Å; K27-I34 PolarHBondContact O-N 3.18Å; C29-I34 HydrophobicContact CB-CD1 3.88Å; C29-I34 HydrophobicContact CB-CG1 4.36Å; V32-I34 PolarHBondContact O-N 3.09Å
35P80.1Confident82.2Confident109 Ų10982.2 Ų82.271%0.70844%0.444SS*.PPolyproline II helixtrans-66.4165.617928.3-35000111.9
36V87.3Confident82.7Confident24 Ų2477.3 Ų77.315%0.14542%0.424CS..PPolyproline II helixtrans-77.9133.2174.4175.40000108.4E24 T38 N90 R93E24-V36 HydrophobicContact CB-CG1 3.95Å; E24-V36 VanDerWaalsContact O-CG2 3.25Å; E24-V36 WeakPolarHBondContact O-CG2 3.39Å; V36-T38 PolarHBondContact O-N 2.75Å; V36-T38 VanDerWaalsContact O-N 3.17Å; V36-N90 WeakPolarHBondContact CB-OD1 3.27Å; V36-R93 VanDerWaalsContact CG1-NH2 3.35Å
37D90.4Very high83.7Confident64 Ų6479.4 Ų79.434%0.34243%0.427SS..  trans-84.892.7178.2-178.3-2.3000110.3T39 K40 R93D37-T39 PolarHBondContact O-N 2.95Å; D37-T39 WeakPolarHBondContact OD1-CB 3.26Å; D37-T39 PolarHBondContact OD1-N 2.82Å; D37-T39 VanDerWaalsContact OD1-N 3.08Å; D37-T39 PolarHBondContact OD1-OG1 3.1Å; D37-K40 HydrophobicContact CB-CD 4.34Å; D37-K40 HydrophobicContact CB-CG 4.34Å; D37-K40 WeakPolarHBondContact O-CB 3.21Å; D37-K40 PolarHBondContact O-N 2.93Å; D37-K40 IonicContact OD2-NZ 2.6Å; D37-K40 PolarHBondContact OD2-NZ 2.81Å; D37-R93 PolarHBondContact O-NH1 2.77Å
38T92.7Very high84.7Confident2 Ų272.1 Ų72.11%0.01240%0.396CS..THydrogen-bonded Turntrans-67.8-15.9179.751.70000113.6V36 K40 F89 N90 R95 D185 G187V36-T38 PolarHBondContact O-N 2.75Å; V36-T38 VanDerWaalsContact O-N 3.17Å; T38-K40 PolarHBondContact O-N 2.8Å; T38-F89 HydrophobicContact CG2-CD1 4.06Å; T38-F89 HydrophobicContact CG2-CE1 4.18Å; T38-N90 WeakPolarHBondContact CG2-OD1 3.47Å; T38-R95 PolarHBondContact O-NH1 3.38Å; T38-D185 PolarHBondContact OG1-OD1 3.34Å; T38-G187 WeakPolarHBondContact OG1-CA 3.21Å
39T93.3Very high85.7Confident74 Ų7466.1 Ų66.145%0.45437%0.368SS..THydrogen-bonded Turntrans-69.6-22.1175.375.10000112.2D37 P186D37-T39 PolarHBondContact O-N 2.95Å; D37-T39 WeakPolarHBondContact OD1-CB 3.26Å; D37-T39 PolarHBondContact OD1-N 2.82Å; D37-T39 VanDerWaalsContact OD1-N 3.08Å; D37-T39 PolarHBondContact OD1-OG1 3.1Å; T39-P186 HydrophobicContact CG2-CB 3.89Å
40K94.1Very high87.3Confident105 Ų10563.7 Ų63.746%0.45735%0.351SS..SBendtrans-69.3154.3176.2-68.4-175.6172.175.20112.1D37 T38 R93 R95D37-K40 HydrophobicContact CB-CD 4.34Å; D37-K40 HydrophobicContact CB-CG 4.34Å; D37-K40 WeakPolarHBondContact O-CB 3.21Å; D37-K40 PolarHBondContact O-N 2.93Å; D37-K40 IonicContact OD2-NZ 2.6Å; D37-K40 PolarHBondContact OD2-NZ 2.81Å; T38-K40 PolarHBondContact O-N 2.8Å; K40-R93 PolarHBondContact O-NH1 3.09Å; K40-R95 PolarHBondContact O-NH2 3.4Å
41P94.6Very high88.7Confident103 Ų10355.4 Ų55.467%0.66931%0.307SS*.PPolyproline II helixtrans-49.5146.8170.2-27.235.2000112.4E47 R93P41-E47 VanDerWaalsContact CA-OE1 3.22Å; P41-E47 WeakPolarHBondContact CA-OE1 3.3Å; P41-R93 PolarHBondContact O-NH1 2.66Å
42N94.6Very high90.2Very high8 Ų852.6 Ų52.64%0.04328%0.278CS..PPolyproline II helixtrans-72.7128.3-172.3-172.2-40.4000111.4N44 E45 V46 E47 I91 V92N42-N44 PolarHBondContact O-N 3.22Å; N42-N44 VanDerWaalsContact OD1-CB 3.27Å; N42-N44 WeakPolarHBondContact OD1-CB 3.36Å; N42-N44 PolarHBondContact OD1-N 2.79Å; N42-N44 PolarHBondContact OD1-ND2 3.32Å; N42-E45 PolarHBondContact O-N 3.15Å; N42-E45 VanDerWaalsContact O-N 3.1Å; N42-V46 WeakPolarHBondContact CB-O 3.48Å; N42-E47 PolarHBondContact N-OE1 2.83Å; N42-I91 PolarHBondContact ND2-O 2.67Å; N42-I91 PolarHBondContact OD1-O 2.87Å; N42-V92 VanDerWaalsContact ND2-C 3.33Å; N42-V92 PolarHBondContact ND2-O 2.99Å
43P92.9Very high91.7Very high33 Ų3348 Ų4821%0.21425%0.249CC..THydrogen-bonded Turntrans-64.1-10.6-179.228.9-39.1000114.6V22 E24 E45V22-P43 HydrophobicContact CB-CB 4.36Å; V22-P43 HydrophobicContact CG1-CB 3.94Å; E24-P43 HydrophobicContact CG-CB 4.2Å; E24-P43 HydrophobicContact CG-CG 4.04Å; P43-E45 PolarHBondContact O-N 3.37Å
44N91.7Very high92.9Very high7 Ų739.9 Ų39.94%0.03722%0.22CC..THydrogen-bonded Turntrans-80.3-0.4174.7-66.3-83.3000113.8V22 N42 V46 I91 F303V22-N44 PolarHBondContact N-OD1 2.73Å; V22-N44 PolarHBondContact O-ND2 3.38Å; N42-N44 PolarHBondContact O-N 3.22Å; N42-N44 VanDerWaalsContact OD1-CB 3.27Å; N42-N44 WeakPolarHBondContact OD1-CB 3.36Å; N42-N44 PolarHBondContact OD1-N 2.79Å; N42-N44 PolarHBondContact OD1-ND2 3.32Å; N44-V46 HydrophobicContact CB-CG1 4.06Å; N44-V46 PolarHBondContact O-N 3.04Å; N44-I91 PolarHBondContact ND2-O 3.45Å; N44-F303 HydrophobicContact CB-CE2 4.26Å
45E89.1Confident93.8Very high78 Ų7836 Ų3636%0.36420%0.2SC..SBendtrans6228.5-177.8-45.8179.796.700113.6N42 P43 N811 R814N42-E45 PolarHBondContact O-N 3.15Å; N42-E45 VanDerWaalsContact O-N 3.1Å; P43-E45 PolarHBondContact O-N 3.37Å; E45-N811 HydrophobicContact CB-CB 3.71Å; E45-N811 VanDerWaalsContact CD-CB 3.46Å; E45-N811 HydrophobicContact CG-CB 4.22Å; E45-N811 PolarHBondContact OE1-ND2 2.78Å; E45-N811 WeakPolarHBondContact OE2-CB 3.35Å; E45-R814 VanDerWaalsContact OE2-CD 3.3Å; E45-R814 WeakPolarHBondContact OE2-CD 3.4Å; E45-R814 IonicContact OE2-NE 3.5Å
46V91.6Very high94.2Very high24 Ų2431.4 Ų31.415%0.14517%0.17CC..  trans-147.9135.3174.257.30000109.1N42 N44 F48 F810N42-V46 WeakPolarHBondContact CB-O 3.48Å; N44-V46 HydrophobicContact CB-CG1 4.06Å; N44-V46 PolarHBondContact O-N 3.04Å; V46-F48 HydrophobicContact CG1-CE2 3.66Å; V46-F48 HydrophobicContact CG1-CZ 3.79Å; V46-F48 HydrophobicContact CG2-CE1 4.43Å; V46-F48 HydrophobicContact CG2-CE2 4.45Å; V46-F48 HydrophobicContact CG2-CZ 4.23Å; V46-F810 HydrophobicContact CB-CB 3.81Å; V46-F810 HydrophobicContact CB-CD1 3.84Å; V46-F810 HydrophobicContact CB-CD2 4.31Å; V46-F810 HydrophobicContact CB-CE1 4.48Å; V46-F810 HydrophobicContact CB-CG 3.73Å; V46-F810 HydrophobicContact CG1-CB 3.98Å; V46-F810 HydrophobicContact CG1-CD1 3.69Å; V46-F810 HydrophobicContact CG1-CD2 3.52Å; V46-F810 HydrophobicContact CG1-CE1 3.97Å; V46-F810 HydrophobicContact CG1-CE2 3.84Å; V46-F810 HydrophobicContact CG1-CG 3.45Å; V46-F810 VanDerWaalsContact CG1-CG 3.45Å; V46-F810 HydrophobicContact CG1-CZ 4.05Å; V46-F810 HydrophobicContact CG2-CD1 4Å; V46-F810 HydrophobicContact CG2-CE1 4.42Å; V46-F810 HydrophobicContact CG2-CG 4.41Å
47E95.5Very high94.2Very high70 Ų7031.3 Ų31.333%0.32717%0.174SC..  trans-95.1148.5170.6-60.7-62.1153.400109.7P41 N42 R95P41-E47 VanDerWaalsContact CA-OE1 3.22Å; P41-E47 WeakPolarHBondContact CA-OE1 3.3Å; N42-E47 PolarHBondContact N-OE1 2.83Å; E47-R95 IonicContact OE1-NH2 3.66Å; E47-R95 IonicContact OE2-CZ 3.05Å; E47-R95 IonicContact OE2-NE 2.63Å; E47-R95 PolarHBondContact OE2-NE 3.45Å; E47-R95 IonicContact OE2-NH2 3.63Å; E47-R95 PolarHBondContact OE2-NH2 3.18Å
48F97.8Very high94.2Very high2 Ų228.3 Ų28.31%0.00916%0.158CC..EExtended strand (participates in β ladder)trans-118.2132.6175.4-66.1-80.2000109.9V46 V92 P94 R95 H226 C228 T249 F303 F810V46-F48 HydrophobicContact CG1-CE2 3.66Å; V46-F48 HydrophobicContact CG1-CZ 3.79Å; V46-F48 HydrophobicContact CG2-CE1 4.43Å; V46-F48 HydrophobicContact CG2-CE2 4.45Å; V46-F48 HydrophobicContact CG2-CZ 4.23Å; F48-V92 HydrophobicContact CB-CG1 3.76Å; F48-V92 HydrophobicContact CD2-CG1 3.67Å; F48-V92 WeakPolarHBondContact CD2-O 3.27Å; F48-V92 HydrophobicContact CE2-CG1 4.45Å; F48-V92 HydrophobicContact CG-CG1 3.84Å; F48-P94 CarbonylContact O-C 3.59Å; F48-P94 WeakPolarHBondContact O-CA 3.4Å; F48-R95 WeakPolarHBondContact O-CG 3.44Å; F48-R95 PolarHBondContact O-N 3.48Å; F48-H226 HydrophobicContact CD1-CB 4.29Å; F48-C228 HydrophobicContact CB-CB 4.33Å; F48-C228 HydrophobicContact CD1-CB 3.66Å; F48-C228 HydrophobicContact CE1-CB 4.04Å; F48-C228 HydrophobicContact CG-CB 3.94Å; F48-T249 HydrophobicContact CE1-CG2 4.29Å; F48-T249 HydrophobicContact CZ-CG2 4.3Å; F48-F303 HydrophobicContact CE2-CE1 4.03Å; F48-F303 AromaticContact CE2-CZ 3.96Å; F48-F303 HydrophobicContact CE2-CZ 3.96Å; F48-F303 HydrophobicContact CZ-CD1 4.44Å; F48-F303 AromaticContact CZ-CE1 3.97Å; F48-F303 HydrophobicContact CZ-CE1 3.97Å; F48-F303 HydrophobicContact CZ-CZ 4.25Å; F48-F810 HydrophobicContact CZ-CE1 4.49Å; F48-F810 HydrophobicContact CZ-CZ 4.32Å
49D97.9Very high94.2Very high22 Ų2228.2 Ų28.212%0.11816%0.157CC..EExtended strand (participates in β ladder)trans-76.5-48.6177-66-71.4000109.6R95 R96 V97 T225 H226D49-R95 PolarHBondContact O-N 3.39Å; D49-R96 HydrophobicContact CB-CG 4.08Å; D49-R96 VanDerWaalsContact CG-NH2 3.3Å; D49-R96 WeakPolarHBondContact O-CA 3.48Å; D49-R96 PolarHBondContact O-N 3.43Å; D49-R96 IonicContact OD1-CZ 2.77Å; D49-R96 IonicContact OD1-NE 3.18Å; D49-R96 PolarHBondContact OD1-NE 2.73Å; D49-R96 IonicContact OD1-NH2 3.95Å; D49-R96 PolarHBondContact OD1-NH2 2.98Å; D49-R96 IonicContact OD2-NH2 3.2Å; D49-V97 PolarHBondContact O-N 2.87Å; D49-V97 VanDerWaalsContact O-N 3.09Å; D49-T225 HydrophobicContact CB-CG2 3.85Å; D49-H226 PolarHBondContact N-O 3.29Å; D49-H226 IonicContact OD2-CG 3.45Å; D49-H226 PolarHBondContact OD2-N 3.22Å; D49-H226 IonicContact OD2-ND1 3.75Å; D49-H226 PolarHBondContact OD2-ND1 3.17Å; D49-H226 VanDerWaalsContact OD2-ND1 3.11Å
50N98.6Very high93.9Very high10 Ų1026.3 Ų26.35%0.05314%0.143CC..EExtended strand (participates in β ladder)trans-126.7126.1-171.3-61.10.6000111.4Y52 V97 H226 C228N50-Y52 HydrophobicContact CB-CD2 4.43Å; N50-Y52 HydrophobicContact CB-CE2 3.49Å; N50-Y52 VanDerWaalsContact CB-CE2 3.49Å; N50-Y52 WeakPolarHBondContact CB-OH 3.45Å; N50-Y52 PolarHBondContact ND2-OH 3.42Å; N50-V97 WeakPolarHBondContact CA-O 3.42Å; N50-V97 HydrophobicContact CB-CB 3.99Å; N50-V97 WeakPolarHBondContact OD1-CB 3.4Å; N50-V97 WeakPolarHBondContact OD1-CG2 3.39Å; N50-H226 PolarHBondContact N-O 3.11Å; N50-C228 PolarHBondContact O-N 3.17Å
51L98.7Very high93.5Very high1 Ų123.5 Ų23.51%0.00514%0.135CC..EExtended strand (participates in β ladder)trans-103.8129.5168.6173.755.9000109.7L53 V92 P94 V97 L98 Y99 C228L51-L53 HydrophobicContact CD1-CD2 3.72Å; L51-L53 HydrophobicContact CD2-CD2 4.09Å; L51-L53 HydrophobicContact CG-CD2 3.84Å; L51-L53 HydrophobicContact CG-CG 4.36Å; L51-V92 HydrophobicContact CB-CG1 4.13Å; L51-V92 HydrophobicContact CD1-CB 4.44Å; L51-V92 HydrophobicContact CD1-CG1 4.16Å; L51-V92 HydrophobicContact CD1-CG2 4.19Å; L51-V92 HydrophobicContact CD2-CB 4.1Å; L51-V92 HydrophobicContact CD2-CG1 4.27Å; L51-V92 HydrophobicContact CD2-CG2 4.43Å; L51-V92 HydrophobicContact CG-CG1 4.42Å; L51-P94 HydrophobicContact CB-CB 3.77Å; L51-P94 HydrophobicContact CB-CG 3.87Å; L51-P94 HydrophobicContact CD2-CG 4.27Å; L51-V97 PolarHBondContact N-O 3.34Å; L51-L98 HydrophobicContact CB-CD1 4.08Å; L51-L98 HydrophobicContact CD2-CD1 3.84Å; L51-L98 HydrophobicContact CG-CD1 3.8Å; L51-L98 CarbonylContact O-C 3.57Å; L51-L98 WeakPolarHBondContact O-CA 3.45Å; L51-Y99 PolarHBondContact O-N 3.21Å; L51-C228 CarbonylContact C-O 3.34Å; L51-C228 WeakPolarHBondContact CA-O 3.34Å; L51-C228 HydrophobicContact CD1-CB 4.25Å; L51-C228 WeakPolarHBondContact CD1-O 3.49Å
52Y98.6Very high93.1Very high1 Ų119.1 Ų19.10%0.00411%0.107CC..EExtended strand (participates in β ladder)trans-116.1130176.2-53.8-90.9000109.1N50 Y99 I208 F211 I212 H227 C228 C230N50-Y52 HydrophobicContact CB-CD2 4.43Å; N50-Y52 HydrophobicContact CB-CE2 3.49Å; N50-Y52 VanDerWaalsContact CB-CE2 3.49Å; N50-Y52 WeakPolarHBondContact CB-OH 3.45Å; N50-Y52 PolarHBondContact ND2-OH 3.42Å; Y52-Y99 CarbonylContact C-O 3.58Å; Y52-Y99 WeakPolarHBondContact CA-O 3.44Å; Y52-Y99 HydrophobicContact CD1-CG 4.18Å; Y52-I208 HydrophobicContact CD1-CB 4.46Å; Y52-I208 HydrophobicContact CD1-CG1 4.32Å; Y52-I208 HydrophobicContact CD1-CG2 3.59Å; Y52-I208 HydrophobicContact CE1-CG2 4.39Å; Y52-I208 HydrophobicContact CG-CG2 3.75Å; Y52-F211 AromaticContact CE1-CD1 3.84Å; Y52-F211 HydrophobicContact CE1-CD1 3.84Å; Y52-F211 HydrophobicContact CE1-CE1 4.03Å; Y52-I212 HydrophobicContact CD1-CD1 4.28Å; Y52-I212 HydrophobicContact CD1-CG1 4.48Å; Y52-I212 HydrophobicContact CD2-CD1 4.27Å; Y52-I212 HydrophobicContact CE1-CD1 3.9Å; Y52-I212 HydrophobicContact CE1-CG1 3.73Å; Y52-I212 HydrophobicContact CE2-CD1 3.9Å; Y52-I212 HydrophobicContact CE2-CG1 4.34Å; Y52-I212 HydrophobicContact CG-CD1 4.45Å; Y52-H227 HydrophobicContact CE2-CB 4.02Å; Y52-H227 AromaticContact CE2-ND1 3.31Å; Y52-H227 VanDerWaalsContact CE2-ND1 3.31Å; Y52-H227 WeakPolarHBondContact CE2-ND1 3.32Å; Y52-H227 AromaticContact CZ-ND1 3.54Å; Y52-H227 PolarHBondContact OH-CE1 2.95Å; Y52-H227 PolarHBondContact OH-ND1 2.94Å; Y52-C228 PolarHBondContact N-O 2.78Å; Y52-C230 PolarHBondContact O-N 3.37Å
53L98.1Very high92.5Very high1 Ų118.9 Ų18.91%0.00511%0.106CC..EExtended strand (participates in β ladder)trans-114.9113.8179.9-56.8-173.2000110.1L51 M55 I58 I85 L88 L98 Y99 M100 A101 C230L51-L53 HydrophobicContact CD1-CD2 3.72Å; L51-L53 HydrophobicContact CD2-CD2 4.09Å; L51-L53 HydrophobicContact CG-CD2 3.84Å; L51-L53 HydrophobicContact CG-CG 4.36Å; L53-M55 HydrophobicContact CB-SD 3.86Å; L53-M55 HydrophobicContact CD1-SD 4.15Å; L53-M55 PolarHBondContact O-N 3.44Å; L53-I58 HydrophobicContact CB-CD1 4.32Å; L53-I58 HydrophobicContact CD1-CD1 4.24Å; L53-I85 HydrophobicContact CD1-CG1 4.36Å; L53-I85 HydrophobicContact CD1-CG2 3.88Å; L53-L88 HydrophobicContact CD2-CD1 3.68Å; L53-L98 HydrophobicContact CD1-CD1 4.01Å; L53-L98 HydrophobicContact CG-CD1 4.04Å; L53-Y99 PolarHBondContact N-O 2.89Å; L53-M100 HydrophobicContact CD1-CE 4.43Å; L53-M100 HydrophobicContact CD1-CG 4.28Å; L53-A101 PolarHBondContact O-N 2.93Å; L53-C230 HydrophobicContact CD2-CB 3.49Å; L53-C230 VanDerWaalsContact CD2-CB 3.49Å
54D96.3Very high91.7Very high18 Ų1821.9 Ų21.910%0.09612%0.117CC..EExtended strand (participates in β ladder)trans-67.6106.9152.3159.826.7000107.6N56 G57 C230D54-N56 VanDerWaalsContact C-N 3.35Å; D54-N56 WeakPolarHBondContact OD1-CB 3.24Å; D54-N56 PolarHBondContact OD1-N 3.21Å; D54-G57 PolarHBondContact OD1-N 2.78Å; D54-G57 VanDerWaalsContact OD1-N 3.12Å; D54-G57 PolarHBondContact OD2-N 3.42Å; D54-C230 PolarHBondContact N-O 3.48Å
55M95.2Very high90.7Very high0 Ų023.1 Ų23.10%013%0.125CC..SBendtrans-73.4-27.4-178.3-63.8-61.9-56.100111.9L53 G57 I58 I59 I81 I85 M100 A101 I102 L174L53-M55 HydrophobicContact CB-SD 3.86Å; L53-M55 HydrophobicContact CD1-SD 4.15Å; L53-M55 PolarHBondContact O-N 3.44Å; M55-G57 VanDerWaalsContact C-N 3.29Å; M55-G57 PolarHBondContact O-N 2.92Å; M55-I58 CarbonylContact O-C 3.57Å; M55-I58 WeakPolarHBondContact O-CA 3.34Å; M55-I58 WeakPolarHBondContact O-CB 3.48Å; M55-I58 PolarHBondContact O-N 3.29Å; M55-I58 HydrophobicContact SD-CD1 4.17Å; M55-I59 HydrophobicContact CB-CD1 4.09Å; M55-I59 VanDerWaalsContact O-CD1 3.31Å; M55-I59 WeakPolarHBondContact O-CD1 3.33Å; M55-I59 WeakPolarHBondContact O-CG1 3.38Å; M55-I59 PolarHBondContact O-N 2.93Å; M55-I81 HydrophobicContact CE-CG2 4.1Å; M55-I85 HydrophobicContact CE-CD1 4.04Å; M55-I85 HydrophobicContact CE-CG1 4.26Å; M55-M100 HydrophobicContact CE-CE 3.93Å; M55-M100 HydrophobicContact CG-CB 4.33Å; M55-M100 HydrophobicContact SD-CB 4.14Å; M55-M100 HydrophobicContact SD-CE 3.71Å; M55-A101 WeakPolarHBondContact CB-O 3.42Å; M55-A101 WeakPolarHBondContact CG-O 3.47Å; M55-A101 PolarHBondContact N-O 3.46Å; M55-I102 HydrophobicContact CB-CB 4.49Å; M55-I102 HydrophobicContact CB-CG1 3.87Å; M55-I102 HydrophobicContact CG-CG1 4Å; M55-L174 HydrophobicContact CE-CD1 4.2Å; M55-L174 HydrophobicContact CE-CD2 4.25Å
56N90.3Very high89.4Confident12 Ų1225.2 Ų25.26%0.06414%0.135CC..Hα-helixtrans-68.9-33178.3-81.726.3000111.2D54 I58 H60 D103D54-N56 VanDerWaalsContact C-N 3.35Å; D54-N56 WeakPolarHBondContact OD1-CB 3.24Å; D54-N56 PolarHBondContact OD1-N 3.21Å; N56-I58 PolarHBondContact O-N 2.91Å; N56-H60 PolarHBondContact O-CD2 2.84Å; N56-H60 PolarHBondContact O-N 3.43Å; N56-D103 VanDerWaalsContact ND2-CB 3.28Å; N56-D103 WeakPolarHBondContact ND2-CB 3.39Å; N56-D103 PolarHBondContact ND2-OD2 3.17Å
57G85.8Confident88Confident22 Ų2227.6 Ų27.623%0.22715%0.147CC..Hα-helixtrans-61.4-15166.100000115.4D54 M55 P61D54-G57 PolarHBondContact OD1-N 2.78Å; D54-G57 VanDerWaalsContact OD1-N 3.12Å; D54-G57 PolarHBondContact OD2-N 3.42Å; M55-G57 VanDerWaalsContact C-N 3.29Å; M55-G57 PolarHBondContact O-N 2.92Å; G57-P61 VanDerWaalsContact O-CD 3.26Å; G57-P61 WeakPolarHBondContact O-CD 3.36Å; G57-P61 WeakPolarHBondContact O-CG 3.49Å
58I91.8Very high86.6Confident1 Ų131.5 Ų31.51%0.00516%0.163CC..Hα-helixtrans-105.1-46.5179-60.9172.7000111.5L53 M55 N56 H60 P61 C62 I81 Y84 L88L53-I58 HydrophobicContact CB-CD1 4.32Å; L53-I58 HydrophobicContact CD1-CD1 4.24Å; M55-I58 CarbonylContact O-C 3.57Å; M55-I58 WeakPolarHBondContact O-CA 3.34Å; M55-I58 WeakPolarHBondContact O-CB 3.48Å; M55-I58 PolarHBondContact O-N 3.29Å; M55-I58 HydrophobicContact SD-CD1 4.17Å; N56-I58 PolarHBondContact O-N 2.91Å; I58-H60 VanDerWaalsContact C-N 3.28Å; I58-H60 PolarHBondContact O-N 3.2Å; I58-P61 WeakPolarHBondContact O-CD 3.43Å; I58-C62 PolarHBondContact O-N 3.27Å; I58-C62 VanDerWaalsContact O-N 3.09Å; I58-I81 HydrophobicContact CG2-CG2 4.47Å; I58-Y84 HydrophobicContact CB-CD1 4.32Å; I58-Y84 HydrophobicContact CD1-CD1 4.18Å; I58-Y84 HydrophobicContact CD1-CE1 4.47Å; I58-Y84 HydrophobicContact CG1-CD1 3.91Å; I58-Y84 HydrophobicContact CG1-CE1 3.92Å; I58-Y84 HydrophobicContact CG2-CD1 3.61Å; I58-Y84 HydrophobicContact CG2-CE1 4.28Å; I58-Y84 HydrophobicContact CG2-CG 3.79Å; I58-L88 HydrophobicContact CD1-CD1 3.69Å; I58-L88 HydrophobicContact CG1-CD1 4.43Å
59I92Very high85.2Confident0 Ų036.7 Ų36.70%020%0.197CC..Hα-helixtrans-59.6-39.3-178.3-60.6152.5000110.6M55 T63 I81 I160 F166 L170M55-I59 HydrophobicContact CB-CD1 4.09Å; M55-I59 VanDerWaalsContact O-CD1 3.31Å; M55-I59 WeakPolarHBondContact O-CD1 3.33Å; M55-I59 WeakPolarHBondContact O-CG1 3.38Å; M55-I59 PolarHBondContact O-N 2.93Å; I59-T63 HydrophobicContact CG2-CG2 4.1Å; I59-T63 WeakPolarHBondContact O-CB 3.31Å; I59-T63 VanDerWaalsContact O-CG2 3.22Å; I59-T63 WeakPolarHBondContact O-CG2 3.5Å; I59-T63 PolarHBondContact O-N 3.18Å; I59-T63 PolarHBondContact O-OG1 2.86Å; I59-I81 HydrophobicContact CB-CD1 4.45Å; I59-I81 HydrophobicContact CG1-CD1 4.05Å; I59-I81 HydrophobicContact CG2-CD1 4.32Å; I59-I160 HydrophobicContact CG2-CD1 3.78Å; I59-I160 HydrophobicContact CG2-CG1 3.95Å; I59-I160 HydrophobicContact CG2-CG2 3.98Å; I59-F166 HydrophobicContact CG2-CE1 4.02Å; I59-F166 HydrophobicContact CG2-CZ 4.12Å; I59-L170 HydrophobicContact CD1-CD2 3.47Å; I59-L170 VanDerWaalsContact CD1-CD2 3.47Å; I59-L170 HydrophobicContact CG1-CD2 3.95Å
60H87Confident84Confident35 Ų3538.4 Ų38.416%0.16221%0.214CC..Hα-helixtrans-61.7-59.6177.1-78.1-40.9000112.2N56 I58 C62 T63 H64 I160N56-H60 PolarHBondContact O-CD2 2.84Å; N56-H60 PolarHBondContact O-N 3.43Å; I58-H60 VanDerWaalsContact C-N 3.28Å; I58-H60 PolarHBondContact O-N 3.2Å; H60-C62 VanDerWaalsContact C-N 3.29Å; H60-C62 PolarHBondContact O-N 3.13Å; H60-T63 PolarHBondContact O-N 3Å; H60-T63 PolarHBondContact O-OG1 3.15Å; H60-H64 AromaticContact CG-CE1 3.94Å; H60-H64 AromaticContact ND1-CE1 3.61Å; H60-H64 PolarHBondContact O-CE1 3.16Å; H60-H64 PolarHBondContact O-N 2.86Å; H60-H64 VanDerWaalsContact O-N 3.16Å; H60-H64 PolarHBondContact O-ND1 3.47Å; H60-I160 VanDerWaalsContact ND1-CD1 3.27Å; H60-I160 WeakPolarHBondContact ND1-CD1 3.31Å
61P85.1Confident83Confident45 Ų4539.1 Ų39.129%0.29222%0.219SC..Hα-helixtrans-53.4-36.9174.1-30.335.8000115.8G57 I58 P65G57-P61 VanDerWaalsContact O-CD 3.26Å; G57-P61 WeakPolarHBondContact O-CD 3.36Å; G57-P61 WeakPolarHBondContact O-CG 3.49Å; I58-P61 WeakPolarHBondContact O-CD 3.43Å; P61-P65 VanDerWaalsContact O-CA 3.31Å; P61-P65 WeakPolarHBondContact O-CA 3.42Å; P61-P65 WeakPolarHBondContact O-CB 3.4Å; P61-P65 WeakPolarHBondContact O-CD 3.15Å
62C87.2Confident81.9Confident12 Ų1246 Ų468%0.08125%0.249CC..Hα-helixtrans-75.5-29-179.6-69.70000113.8I58 H60 P71 A80 I81I58-C62 PolarHBondContact O-N 3.27Å; I58-C62 VanDerWaalsContact O-N 3.09Å; H60-C62 VanDerWaalsContact C-N 3.29Å; H60-C62 PolarHBondContact O-N 3.13Å; C62-P71 WeakPolarHBondContact O-CG 3.48Å; C62-A80 HydrophobicContact CB-CB 4.11Å; C62-A80 PolarHBondContact SG-O 3.29Å; C62-I81 HydrophobicContact CB-CG1 3.78Å
63T82.6Confident81.2Confident2 Ų249.1 Ų49.11%0.01227%0.266CS..Hα-helixtrans-83.3-30.7179.152.40000113.5I59 H60 M77 F155 I160 F166I59-T63 HydrophobicContact CG2-CG2 4.1Å; I59-T63 WeakPolarHBondContact O-CB 3.31Å; I59-T63 VanDerWaalsContact O-CG2 3.22Å; I59-T63 WeakPolarHBondContact O-CG2 3.5Å; I59-T63 PolarHBondContact O-N 3.18Å; I59-T63 PolarHBondContact O-OG1 2.86Å; H60-T63 PolarHBondContact O-N 3Å; H60-T63 PolarHBondContact O-OG1 3.15Å; T63-M77 HydrophobicContact CG2-CB 4.4Å; T63-M77 HydrophobicContact CG2-CG 4.23Å; T63-M77 HydrophobicContact CG2-SD 3.93Å; T63-F155 VanDerWaalsContact CB-CE1 3.4Å; T63-F155 HydrophobicContact CG2-CD1 4.48Å; T63-F155 HydrophobicContact CG2-CE1 3.65Å; T63-F155 HydrophobicContact CG2-CE2 4.2Å; T63-F155 HydrophobicContact CG2-CZ 3.47Å; T63-F155 VanDerWaalsContact CG2-CZ 3.47Å; T63-I160 HydrophobicContact CG2-CD1 4.41Å; T63-F166 HydrophobicContact CG2-CZ 4.42Å
64H75.2Confident80.6Confident97 Ų9752.8 Ų52.845%0.44928%0.283SS..SBendtrans-141.964.3-18057.1-78.4000112.8H60H60-H64 AromaticContact CG-CE1 3.94Å; H60-H64 AromaticContact ND1-CE1 3.61Å; H60-H64 PolarHBondContact O-CE1 3.16Å; H60-H64 PolarHBondContact O-N 2.86Å; H60-H64 VanDerWaalsContact O-N 3.16Å; H60-H64 PolarHBondContact O-ND1 3.47Å
65P71.4Confident80.2Confident33 Ų3353.8 Ų53.821%0.21429%0.289CS..  trans-63.6135.1-17726-35.6000112.9P61 K68P61-P65 VanDerWaalsContact O-CA 3.31Å; P61-P65 WeakPolarHBondContact O-CA 3.42Å; P61-P65 WeakPolarHBondContact O-CB 3.4Å; P61-P65 WeakPolarHBondContact O-CD 3.15Å; P65-K68 HydrophobicContact CB-CB 3.97Å; P65-K68 HydrophobicContact CG-CB 3.81Å
66E61.7Low79.9Confident121 Ų12156.8 Ų56.857%0.56530%0.303SS*.THydrogen-bonded Turntrans-70.2-32.1-179.2-62.7-158.1167.100114.1R261E66-R261 IonicContact OE1-CZ 2.78Å; E66-R261 IonicContact OE1-NH2 3.04Å; E66-R261 PolarHBondContact OE1-NH2 3.35Å; E66-R261 IonicContact OE2-CZ 2.69Å; E66-R261 IonicContact OE2-NE 3.54Å; E66-R261 PolarHBondContact OE2-NE 3.45Å; E66-R261 IonicContact OE2-NH2 3.8Å; E66-R261 PolarHBondContact OE2-NH2 3.36Å
67D61.9Low79.8Confident75 Ų7556.6 Ų56.640%0.40130%0.301SS..THydrogen-bonded Turntrans-107.46.6-172.7-64.9-50.6000113.8K259 A296D67-K259 IonicContact OD2-NZ 3.54Å; D67-K259 PolarHBondContact OD2-NZ 2.79Å; D67-A296 HydrophobicContact CB-CB 4.43Å
68K65.9Low80.1Confident151 Ų15155.8 Ų55.866%0.65729%0.291SS*.SBendtrans-133.1159.8179.3-68-176.9-179.4-1800110.1P65P65-K68 HydrophobicContact CB-CB 3.97Å; P65-K68 HydrophobicContact CG-CB 3.81Å
69P67.9Low80.1Confident112 Ų11257.7 Ų57.773%0.72730%0.303SS*.PPolyproline II helixtrans-58.9143.6161.527.9-35.1000110.1
70A73.1Confident80.1Confident58 Ų5859 Ų5948%0.47931%0.314SS..PPolyproline II helixtrans-64.7147.9170.900000111
71P78.5Confident80.4Confident24 Ų2457.3 Ų57.316%0.15631%0.306CS..PPolyproline II helixtrans-54.8151.7172.1-27.638000112.9C62 E76 M77C62-P71 WeakPolarHBondContact O-CG 3.48Å; P71-E76 HydrophobicContact CB-CB 3.79Å; P71-M77 HydrophobicContact CB-CE 4.09Å; P71-M77 HydrophobicContact CB-CG 3.52Å; P71-M77 HydrophobicContact CG-CG 3.76Å
72K75Confident80.9Confident146 Ų14655.6 Ų55.664%0.63529%0.294SS*.SBendtrans-82.4-29.6-177.1-58.4-172-149.489.50114.1E76K72-E76 WeakPolarHBondContact CB-OE2 3.4Å; K72-E76 WeakPolarHBondContact CG-OE2 3.46Å; K72-E76 PolarHBondContact N-OE2 2.99Å; K72-E76 IonicContact NZ-OE1 3.74Å; K72-E76 PolarHBondContact NZ-OE1 3Å; K72-E76 IonicContact NZ-OE2 2.64Å
73N83.8Confident81.2Confident66 Ų6660.4 Ų60.435%0.35332%0.315SS..SBendtrans-151.3174.3-175.169.4-15.1000110.5D75 E76 M77N73-D75 VanDerWaalsContact C-N 3.31Å; N73-D75 PolarHBondContact ND2-OD2 3.38Å; N73-D75 PolarHBondContact O-N 3.14Å; N73-E76 PolarHBondContact O-N 3.41Å; N73-E76 WeakPolarHBondContact OD1-CB 3.42Å; N73-E76 WeakPolarHBondContact OD1-CG 2.97Å; N73-E76 PolarHBondContact OD1-N 3.1Å; N73-M77 WeakPolarHBondContact O-CG 3.39Å; N73-M77 PolarHBondContact O-N 3.41Å
74E85.4Confident81.7Confident78 Ų7861.8 Ų61.836%0.36432%0.321SS..Hα-helixtrans-62.1-35.8179.2-60.9-166.8172.300112.4E76 M77 M78 F166 N169E74-E76 PolarHBondContact O-N 3.41Å; E74-M77 CarbonylContact O-C 3.47Å; E74-M77 WeakPolarHBondContact O-CA 3.41Å; E74-M77 WeakPolarHBondContact O-CB 3.37Å; E74-M77 PolarHBondContact O-N 2.86Å; E74-M78 WeakPolarHBondContact O-CG 3.33Å; E74-M78 PolarHBondContact O-N 3.2Å; E74-F166 HydrophobicContact CG-CD2 4.35Å; E74-N169 PolarHBondContact OE2-ND2 3.35Å
75D87.6Confident82.7Confident40 Ų4057.2 Ų57.221%0.21430%0.299CS..Hα-helixtrans-57.3-48.1177.6-59-42.6000112.8N73 M77 M78 V79 V749 P750 L751N73-D75 VanDerWaalsContact C-N 3.31Å; N73-D75 PolarHBondContact ND2-OD2 3.38Å; N73-D75 PolarHBondContact O-N 3.14Å; D75-M77 PolarHBondContact O-N 3.13Å; D75-M78 PolarHBondContact O-N 3.45Å; D75-V79 WeakPolarHBondContact O-CG2 3.44Å; D75-V79 PolarHBondContact O-N 3.5Å; D75-V749 HydrophobicContact CB-CG1 3.95Å; D75-P750 VanDerWaalsContact OD1-CD 3.28Å; D75-P750 WeakPolarHBondContact OD1-CD 3.29Å; D75-L751 HydrophobicContact CB-CD1 3.78Å; D75-L751 HydrophobicContact CB-CG 4.18Å
76E87.8Confident83.8Confident63 Ų6357.2 Ų57.229%0.29430%0.298SS..Hα-helixtrans-63.7-29.9175.8-74.9-176.8-179.700111.5P71 K72 N73 E74 A80P71-E76 HydrophobicContact CB-CB 3.79Å; K72-E76 WeakPolarHBondContact CB-OE2 3.4Å; K72-E76 WeakPolarHBondContact CG-OE2 3.46Å; K72-E76 PolarHBondContact N-OE2 2.99Å; K72-E76 IonicContact NZ-OE1 3.74Å; K72-E76 PolarHBondContact NZ-OE1 3Å; K72-E76 IonicContact NZ-OE2 2.64Å; N73-E76 PolarHBondContact O-N 3.41Å; N73-E76 WeakPolarHBondContact OD1-CB 3.42Å; N73-E76 WeakPolarHBondContact OD1-CG 2.97Å; N73-E76 PolarHBondContact OD1-N 3.1Å; E74-E76 PolarHBondContact O-N 3.41Å; E76-A80 VanDerWaalsContact O-CB 3.29Å; E76-A80 WeakPolarHBondContact O-CB 3.46Å; E76-A80 PolarHBondContact O-N 2.85Å
77M89.8Confident85.4Confident8 Ų854.5 Ų54.54%0.03928%0.282CS..Hα-helixtrans-71.4-44.6174.4-60.8168.8-169.500112T63 P71 N73 E74 D75 A80 I81 F155T63-M77 HydrophobicContact CG2-CB 4.4Å; T63-M77 HydrophobicContact CG2-CG 4.23Å; T63-M77 HydrophobicContact CG2-SD 3.93Å; P71-M77 HydrophobicContact CB-CE 4.09Å; P71-M77 HydrophobicContact CB-CG 3.52Å; P71-M77 HydrophobicContact CG-CG 3.76Å; N73-M77 WeakPolarHBondContact O-CG 3.39Å; N73-M77 PolarHBondContact O-N 3.41Å; E74-M77 CarbonylContact O-C 3.47Å; E74-M77 WeakPolarHBondContact O-CA 3.41Å; E74-M77 WeakPolarHBondContact O-CB 3.37Å; E74-M77 PolarHBondContact O-N 2.86Å; D75-M77 PolarHBondContact O-N 3.13Å; M77-A80 PolarHBondContact O-N 3.33Å; M77-I81 WeakPolarHBondContact O-CG1 3.36Å; M77-I81 PolarHBondContact O-N 2.96Å; M77-F155 HydrophobicContact CE-CB 4.07Å; M77-F155 HydrophobicContact CE-CD2 3.55Å; M77-F155 HydrophobicContact CE-CE2 4.15Å; M77-F155 HydrophobicContact CE-CG 3.88Å; M77-F155 HydrophobicContact SD-CD2 3.62Å; M77-F155 HydrophobicContact SD-CE2 3.57Å; M77-F155 VanDerWaalsContact SD-CE2 3.57Å; M77-F155 HydrophobicContact SD-CG 4.34Å; M77-F155 HydrophobicContact SD-CZ 4.25Å
78M92.2Very high87Confident4 Ų451 Ų512%0.0226%0.263CS..Hα-helixtrans-61.9-45177.8-61.5-55.417600110.9E74 D75 A80 I81 F82 F166 N169 L170 C173 V749E74-M78 WeakPolarHBondContact O-CG 3.33Å; E74-M78 PolarHBondContact O-N 3.2Å; D75-M78 PolarHBondContact O-N 3.45Å; M78-A80 PolarHBondContact O-N 2.62Å; M78-I81 PolarHBondContact O-N 3.26Å; M78-F82 HydrophobicContact CB-CZ 4.34Å; M78-F82 WeakPolarHBondContact O-CD1 3.42Å; M78-F82 WeakPolarHBondContact O-CG 3.39Å; M78-F82 PolarHBondContact O-N 3.3Å; M78-F166 HydrophobicContact CE-CE2 4.15Å; M78-N169 HydrophobicContact CE-CB 4.36Å; M78-L170 HydrophobicContact CE-CB 4Å; M78-L170 HydrophobicContact CE-CD1 4.34Å; M78-L170 HydrophobicContact SD-CB 4.32Å; M78-L170 HydrophobicContact SD-CD1 3.57Å; M78-L170 VanDerWaalsContact SD-CD1 3.57Å; M78-C173 HydrophobicContact CG-CB 4.29Å; M78-C173 HydrophobicContact SD-CB 4.05Å; M78-V749 HydrophobicContact CB-CG2 4Å; M78-V749 HydrophobicContact CG-CG2 4.29Å
79V91.4Very high88.4Confident42 Ų4244 Ų4426%0.25523%0.233SC..Hα-helixtrans-62-41.9175174.80000111.4D75 I81 F82 E83 V749 L752D75-V79 WeakPolarHBondContact O-CG2 3.44Å; D75-V79 PolarHBondContact O-N 3.5Å; V79-I81 VanDerWaalsContact C-N 3.31Å; V79-I81 PolarHBondContact O-N 3.17Å; V79-F82 PolarHBondContact O-N 3.41Å; V79-E83 PolarHBondContact O-N 3Å; V79-V749 HydrophobicContact CG2-CG1 4.43Å; V79-L752 HydrophobicContact CG2-CD1 4.4Å; V79-L752 HydrophobicContact CG2-CD2 4.28Å; V79-L752 HydrophobicContact CG2-CG 4.45Å
80A91.4Very high89.7Confident27 Ų2740.4 Ų40.422%0.22321%0.208CC..Hα-helixtrans-64.6-32.6175.700000113.2C62 E76 M77 M78 Y84C62-A80 HydrophobicContact CB-CB 4.11Å; C62-A80 PolarHBondContact SG-O 3.29Å; E76-A80 VanDerWaalsContact O-CB 3.29Å; E76-A80 WeakPolarHBondContact O-CB 3.46Å; E76-A80 PolarHBondContact O-N 2.85Å; M77-A80 PolarHBondContact O-N 3.33Å; M78-A80 PolarHBondContact O-N 2.62Å; A80-Y84 PolarHBondContact O-N 2.88Å
81I94.4Very high90.8Very high0 Ų037.8 Ų37.80%019%0.186CC..Hα-helixtrans-68-45.2172.3-70.1162.9000110.2M55 I58 I59 C62 M77 M78 V79 E83 Y84 I85 L170M55-I81 HydrophobicContact CE-CG2 4.1Å; I58-I81 HydrophobicContact CG2-CG2 4.47Å; I59-I81 HydrophobicContact CB-CD1 4.45Å; I59-I81 HydrophobicContact CG1-CD1 4.05Å; I59-I81 HydrophobicContact CG2-CD1 4.32Å; C62-I81 HydrophobicContact CB-CG1 3.78Å; M77-I81 WeakPolarHBondContact O-CG1 3.36Å; M77-I81 PolarHBondContact O-N 2.96Å; M78-I81 PolarHBondContact O-N 3.26Å; V79-I81 VanDerWaalsContact C-N 3.31Å; V79-I81 PolarHBondContact O-N 3.17Å; I81-E83 PolarHBondContact O-N 2.91Å; I81-Y84 WeakPolarHBondContact O-CB 3.45Å; I81-Y84 PolarHBondContact O-N 3.41Å; I81-Y84 VanDerWaalsContact O-N 3.12Å; I81-I85 HydrophobicContact CG2-CD1 3.78Å; I81-I85 HydrophobicContact CG2-CG1 4.42Å; I81-I85 WeakPolarHBondContact O-CD1 3.33Å; I81-I85 WeakPolarHBondContact O-CG1 3.46Å; I81-I85 PolarHBondContact O-N 3.32Å; I81-L170 HydrophobicContact CD1-CD1 4.01Å
82F95.4Very high91.7Very high9 Ų936.7 Ų36.74%0.03918%0.178CC..Hα-helixtrans-59.5-46.2176.8-59.2-17.7000112.4M78 V79 Y84 I85 D86 C173 L174 Y177 L752M78-F82 HydrophobicContact CB-CZ 4.34Å; M78-F82 WeakPolarHBondContact O-CD1 3.42Å; M78-F82 WeakPolarHBondContact O-CG 3.39Å; M78-F82 PolarHBondContact O-N 3.3Å; V79-F82 PolarHBondContact O-N 3.41Å; F82-Y84 PolarHBondContact O-N 3.1Å; F82-I85 HydrophobicContact CD1-CD1 4.43Å; F82-I85 PolarHBondContact O-N 2.71Å; F82-D86 WeakPolarHBondContact O-CB 3.39Å; F82-D86 PolarHBondContact O-N 3.47Å; F82-C173 HydrophobicContact CE1-CB 4.43Å; F82-C173 HydrophobicContact CZ-CB 3.96Å; F82-C173 WeakPolarHBondContact CZ-O 3.42Å; F82-L174 HydrophobicContact CD1-CD2 4.43Å; F82-L174 HydrophobicContact CE1-CD2 4.08Å; F82-Y177 HydrophobicContact CB-CD2 3.69Å; F82-Y177 HydrophobicContact CB-CE2 3.71Å; F82-Y177 HydrophobicContact CD1-CD1 4.33Å; F82-Y177 AromaticContact CD1-CD2 3.56Å; F82-Y177 HydrophobicContact CD1-CD2 3.56Å; F82-Y177 HydrophobicContact CD1-CE2 4.21Å; F82-Y177 AromaticContact CD1-CG 3.64Å; F82-Y177 HydrophobicContact CD1-CG 3.64Å; F82-Y177 HydrophobicContact CD2-CD2 4.02Å; F82-Y177 HydrophobicContact CE1-CD2 4.18Å; F82-Y177 AromaticContact CE1-CG 3.89Å; F82-Y177 HydrophobicContact CE1-CG 3.89Å; F82-Y177 AromaticContact CG-CD2 3.47Å; F82-Y177 HydrophobicContact CG-CD2 3.47Å; F82-Y177 VanDerWaalsContact CG-CD2 3.47Å; F82-Y177 HydrophobicContact CG-CE2 4.03Å; F82-Y177 HydrophobicContact CG-CG 4.05Å; F82-Y177 HydrophobicContact CZ-CG 4.45Å; F82-L752 HydrophobicContact CD2-CD1 4Å; F82-L752 HydrophobicContact CE2-CD1 3.66Å
83E92.1Very high92.7Very high112 Ų11229.8 Ų29.852%0.52315%0.148SC..Hα-helixtrans-60.3-32.6174.9-72.3-160.4145.300112.8V79 I81 R87V79-E83 PolarHBondContact O-N 3Å; I81-E83 PolarHBondContact O-N 2.91Å; E83-R87 WeakPolarHBondContact O-CB 3.44Å; E83-R87 PolarHBondContact O-N 3.46Å
84Y93.8Very high93.4Very high31 Ų3126.7 Ų26.712%0.12213%0.132CC..Hα-helixtrans-73.6-44.2178.8-157.9-74.8000111.7I58 A80 I81 F82 D86 R87 L88 E253 F301I58-Y84 HydrophobicContact CB-CD1 4.32Å; I58-Y84 HydrophobicContact CD1-CD1 4.18Å; I58-Y84 HydrophobicContact CD1-CE1 4.47Å; I58-Y84 HydrophobicContact CG1-CD1 3.91Å; I58-Y84 HydrophobicContact CG1-CE1 3.92Å; I58-Y84 HydrophobicContact CG2-CD1 3.61Å; I58-Y84 HydrophobicContact CG2-CE1 4.28Å; I58-Y84 HydrophobicContact CG2-CG 3.79Å; A80-Y84 PolarHBondContact O-N 2.88Å; I81-Y84 WeakPolarHBondContact O-CB 3.45Å; I81-Y84 PolarHBondContact O-N 3.41Å; I81-Y84 VanDerWaalsContact O-N 3.12Å; F82-Y84 PolarHBondContact O-N 3.1Å; Y84-D86 VanDerWaalsContact C-N 3.35Å; Y84-R87 PolarHBondContact O-N 3.18Å; Y84-L88 HydrophobicContact CD1-CD1 3.82Å; Y84-L88 HydrophobicContact CD1-CG 4.07Å; Y84-L88 HydrophobicContact CE1-CD1 3.83Å; Y84-L88 HydrophobicContact CE1-CD2 4.33Å; Y84-L88 HydrophobicContact CE1-CG 4.06Å; Y84-L88 WeakPolarHBondContact O-CG 3.26Å; Y84-L88 PolarHBondContact O-N 3.47Å; Y84-E253 WeakPolarHBondContact CE2-OE1 3.39Å; Y84-E253 VanDerWaalsContact OH-CD 3.3Å; Y84-E253 WeakPolarHBondContact OH-CG 3.28Å; Y84-E253 PolarHBondContact OH-OE1 2.89Å; Y84-F301 HydrophobicContact CE1-CE1 4.35Å; Y84-F301 AromaticContact CE1-CZ 3.92Å; Y84-F301 HydrophobicContact CE1-CZ 3.92Å; Y84-F301 HydrophobicContact CE2-CZ 4.44Å; Y84-F301 AromaticContact CZ-CZ 3.71Å; Y84-F301 WeakPolarHBondContact OH-CZ 3.28Å
85I96.5Very high93.9Very high1 Ų126.5 Ų26.51%0.00513%0.128CC..Hα-helixtrans-61-45.9174.5-58.1151.9000109.9L53 M55 I81 F82 R87 L88 F89 M100 L174 Y177L53-I85 HydrophobicContact CD1-CG1 4.36Å; L53-I85 HydrophobicContact CD1-CG2 3.88Å; M55-I85 HydrophobicContact CE-CD1 4.04Å; M55-I85 HydrophobicContact CE-CG1 4.26Å; I81-I85 HydrophobicContact CG2-CD1 3.78Å; I81-I85 HydrophobicContact CG2-CG1 4.42Å; I81-I85 WeakPolarHBondContact O-CD1 3.33Å; I81-I85 WeakPolarHBondContact O-CG1 3.46Å; I81-I85 PolarHBondContact O-N 3.32Å; F82-I85 HydrophobicContact CD1-CD1 4.43Å; F82-I85 PolarHBondContact O-N 2.71Å; I85-R87 VanDerWaalsContact C-N 3.31Å; I85-R87 PolarHBondContact O-N 3.18Å; I85-L88 PolarHBondContact O-N 2.85Å; I85-F89 WeakPolarHBondContact O-CB 3.37Å; I85-F89 PolarHBondContact O-N 2.96Å; I85-M100 HydrophobicContact CD1-CE 3.63Å; I85-M100 HydrophobicContact CG1-CE 4.11Å; I85-M100 HydrophobicContact CG2-CE 4.18Å; I85-L174 HydrophobicContact CD1-CD2 3.85Å; I85-Y177 HydrophobicContact CB-CE1 4.21Å; I85-Y177 WeakPolarHBondContact CB-OH 3.26Å; I85-Y177 HydrophobicContact CD1-CD1 4.32Å; I85-Y177 HydrophobicContact CD1-CE1 3.86Å; I85-Y177 HydrophobicContact CG2-CE1 3.82Å; I85-Y177 VanDerWaalsContact CG2-OH 3.24Å; I85-Y177 WeakPolarHBondContact CG2-OH 3.41Å
86D95.3Very high94.4Very high33 Ų3326.6 Ų26.618%0.17613%0.125CC..Hα-helixtrans-56.2-45.3174.7-70.8-14.8000111.2F82 Y84 L88 F89 N90 Y177 R181F82-D86 WeakPolarHBondContact O-CB 3.39Å; F82-D86 PolarHBondContact O-N 3.47Å; Y84-D86 VanDerWaalsContact C-N 3.35Å; D86-L88 PolarHBondContact O-N 3.05Å; D86-F89 PolarHBondContact O-N 3.07Å; D86-N90 WeakPolarHBondContact O-CB 3.36Å; D86-N90 PolarHBondContact O-N 2.94Å; D86-N90 PolarHBondContact O-ND2 3.29Å; D86-Y177 WeakPolarHBondContact OD1-CE2 3.13Å; D86-Y177 PolarHBondContact OD1-OH 3.49Å; D86-R181 IonicContact OD1-CZ 3.7Å; D86-R181 IonicContact OD1-NE 3.96Å; D86-R181 PolarHBondContact OD1-NE 2.75Å; D86-R181 IonicContact OD1-NH2 3.33Å; D86-R181 PolarHBondContact OD1-NH2 2.67Å; D86-R181 IonicContact OD2-CZ 3.96Å; D86-R181 IonicContact OD2-NE 3.57Å; D86-R181 IonicContact OD2-NH2 2.64Å; D86-R181 PolarHBondContact OD2-NH2 3.41Å
87R93.6Very high94.9Very high65 Ų6523.6 Ų23.625%0.24511%0.111CC..Hα-helixtrans-61.7-44179.1-173.9172.6177.6-146.6-1.4111.5E23 E83 Y84 I85 N90 I91 Q299 F301E23-R87 IonicContact OE1-CZ 3.99Å; E23-R87 IonicContact OE1-NE 2.76Å; E23-R87 IonicContact OE1-NH2 2.76Å; E23-R87 PolarHBondContact OE1-NH2 2.91Å; E23-R87 IonicContact OE2-CZ 2.83Å; E23-R87 VanDerWaalsContact OE2-CZ 3.25Å; E23-R87 IonicContact OE2-NE 2.76Å; E23-R87 PolarHBondContact OE2-NE 3.46Å; E23-R87 IonicContact OE2-NH2 3.72Å; E23-R87 PolarHBondContact OE2-NH2 3.05Å; E83-R87 WeakPolarHBondContact O-CB 3.44Å; E83-R87 PolarHBondContact O-N 3.46Å; Y84-R87 PolarHBondContact O-N 3.18Å; I85-R87 VanDerWaalsContact C-N 3.31Å; I85-R87 PolarHBondContact O-N 3.18Å; R87-N90 PolarHBondContact O-N 3.15Å; R87-I91 HydrophobicContact CG-CD1 4.13Å; R87-I91 WeakPolarHBondContact O-CD1 3.2Å; R87-I91 VanDerWaalsContact O-CG1 3.26Å; R87-I91 WeakPolarHBondContact O-CG1 3.41Å; R87-I91 PolarHBondContact O-N 2.75Å; R87-Q299 VanDerWaalsContact CZ-O 3.31Å; R87-Q299 PolarHBondContact NH1-O 3.42Å; R87-Q299 PolarHBondContact NH2-O 2.82Å; R87-F301 HydrophobicContact CG-CE2 4.17Å; R87-F301 VanDerWaalsContact CZ-CE2 3.46Å
88L95.6Very high95.3Very high0 Ų023.3 Ų23.30%011%0.11CC..Hα-helixtrans-62.9-45.2175.3-67.7173.6000112L53 I58 Y84 I85 D86 N90 I91 V92 C230 I251 F301L53-L88 HydrophobicContact CD2-CD1 3.68Å; I58-L88 HydrophobicContact CD1-CD1 3.69Å; I58-L88 HydrophobicContact CG1-CD1 4.43Å; Y84-L88 HydrophobicContact CD1-CD1 3.82Å; Y84-L88 HydrophobicContact CD1-CG 4.07Å; Y84-L88 HydrophobicContact CE1-CD1 3.83Å; Y84-L88 HydrophobicContact CE1-CD2 4.33Å; Y84-L88 HydrophobicContact CE1-CG 4.06Å; Y84-L88 WeakPolarHBondContact O-CG 3.26Å; Y84-L88 PolarHBondContact O-N 3.47Å; I85-L88 PolarHBondContact O-N 2.85Å; D86-L88 PolarHBondContact O-N 3.05Å; L88-N90 VanDerWaalsContact C-N 3.31Å; L88-N90 PolarHBondContact O-N 2.85Å; L88-I91 PolarHBondContact O-N 3.39Å; L88-V92 WeakPolarHBondContact O-CG2 3.32Å; L88-V92 PolarHBondContact O-N 3.18Å; L88-C230 HydrophobicContact CD1-CB 4.18Å; L88-C230 WeakPolarHBondContact CD1-SG 3.42Å; L88-I251 HydrophobicContact CD2-CD1 4.17Å; L88-F301 HydrophobicContact CD2-CD1 4.24Å; L88-F301 HydrophobicContact CD2-CE1 3.6Å; L88-F301 HydrophobicContact CD2-CE2 4.39Å; L88-F301 HydrophobicContact CD2-CZ 3.69Å; L88-F301 HydrophobicContact CG-CZ 4.5Å
89F96.5Very high95.6Very high4 Ų423.2 Ų23.22%0.01811%0.109CC..Hα-helixtrans-60.5-40.9177.3-168.7-80.6000111.5T38 I85 D86 I91 R93 P94 L98 W188 V191T38-F89 HydrophobicContact CG2-CD1 4.06Å; T38-F89 HydrophobicContact CG2-CE1 4.18Å; I85-F89 WeakPolarHBondContact O-CB 3.37Å; I85-F89 PolarHBondContact O-N 2.96Å; D86-F89 PolarHBondContact O-N 3.07Å; F89-I91 VanDerWaalsContact C-N 3.3Å; F89-I91 PolarHBondContact O-N 3.12Å; F89-R93 VanDerWaalsContact O-CA 3.29Å; F89-R93 WeakPolarHBondContact O-CA 3.45Å; F89-R93 PolarHBondContact O-N 3.3Å; F89-P94 HydrophobicContact CD2-CG 3.76Å; F89-P94 HydrophobicContact CE2-CG 3.5Å; F89-P94 VanDerWaalsContact CE2-CG 3.5Å; F89-P94 HydrophobicContact CZ-CG 4.19Å; F89-L98 HydrophobicContact CD2-CD2 4.39Å; F89-W188 AromaticContact CD1-NE1 3.54Å; F89-W188 HydrophobicContact CD2-CD2 4.38Å; F89-W188 AromaticContact CD2-CE2 3.67Å; F89-W188 AromaticContact CD2-CZ2 3.76Å; F89-W188 HydrophobicContact CD2-CZ2 3.76Å; F89-W188 AromaticContact CD2-NE1 3.73Å; F89-W188 AromaticContact CE1-CD1 3.5Å; F89-W188 HydrophobicContact CE1-CG 4.36Å; F89-W188 AromaticContact CE1-NE1 3.47Å; F89-W188 AromaticContact CE2-CD1 3.91Å; F89-W188 AromaticContact CE2-CD2 3.92Å; F89-W188 HydrophobicContact CE2-CD2 3.92Å; F89-W188 AromaticContact CE2-CE2 3.66Å; F89-W188 HydrophobicContact CE2-CG 4.1Å; F89-W188 HydrophobicContact CE2-CZ2 4.15Å; F89-W188 AromaticContact CE2-NE1 3.66Å; F89-W188 HydrophobicContact CG-CZ2 4.14Å; F89-W188 AromaticContact CG-NE1 3.68Å; F89-W188 AromaticContact CZ-CD1 3.42Å; F89-W188 VanDerWaalsContact CZ-CD1 3.42Å; F89-W188 HydrophobicContact CZ-CD2 4.17Å; F89-W188 AromaticContact CZ-CG 3.85Å; F89-W188 HydrophobicContact CZ-CG 3.85Å; F89-W188 AromaticContact CZ-NE1 3.54Å; F89-V191 HydrophobicContact CZ-CG2 4.4Å
90N94.9Very high95.9Very high38 Ų3821.2 Ų21.220%0.20310%0.097CC..Hα-helixtrans-63.3-32.2176.8-82.6-63.5000114V36 T38 D86 R87 L88 R93V36-N90 WeakPolarHBondContact CB-OD1 3.27Å; T38-N90 WeakPolarHBondContact CG2-OD1 3.47Å; D86-N90 WeakPolarHBondContact O-CB 3.36Å; D86-N90 PolarHBondContact O-N 2.94Å; D86-N90 PolarHBondContact O-ND2 3.29Å; R87-N90 PolarHBondContact O-N 3.15Å; L88-N90 VanDerWaalsContact C-N 3.31Å; L88-N90 PolarHBondContact O-N 2.85Å; N90-R93 WeakPolarHBondContact O-CG 3.47Å; N90-R93 PolarHBondContact O-NE 2.78Å
91I95.5Very high96.2Very high3 Ų319.9 Ų19.92%0.0159%0.086CC..Hα-helixtrans-81.2-45179.1-65.4167.4000111.6C21 E23 N42 N44 R87 L88 F89 I251 F301 F303C21-I91 HydrophobicContact CB-CG2 3.93Å; E23-I91 HydrophobicContact CG-CD1 3.86Å; E23-I91 HydrophobicContact CG-CG1 3.94Å; N42-I91 PolarHBondContact ND2-O 2.67Å; N42-I91 PolarHBondContact OD1-O 2.87Å; N44-I91 PolarHBondContact ND2-O 3.45Å; R87-I91 HydrophobicContact CG-CD1 4.13Å; R87-I91 WeakPolarHBondContact O-CD1 3.2Å; R87-I91 VanDerWaalsContact O-CG1 3.26Å; R87-I91 WeakPolarHBondContact O-CG1 3.41Å; R87-I91 PolarHBondContact O-N 2.75Å; L88-I91 PolarHBondContact O-N 3.39Å; F89-I91 VanDerWaalsContact C-N 3.3Å; F89-I91 PolarHBondContact O-N 3.12Å; I91-I251 HydrophobicContact CB-CD1 4.46Å; I91-I251 HydrophobicContact CG2-CD1 3.78Å; I91-F301 HydrophobicContact CD1-CB 4.4Å; I91-F301 HydrophobicContact CD1-CD2 3.5Å; I91-F301 HydrophobicContact CD1-CE2 4.01Å; I91-F301 HydrophobicContact CD1-CG 4.12Å; I91-F303 HydrophobicContact CG2-CE2 4.44Å; I91-F303 HydrophobicContact CG2-CZ 3.99Å
92V97.2Very high96.4Very high0 Ų019.9 Ų19.90%09%0.086CC..Hα-helixtrans-90-37.9-172178.50000112.2N42 F48 L51 L88 C228 I251 F303N42-V92 VanDerWaalsContact ND2-C 3.33Å; N42-V92 PolarHBondContact ND2-O 2.99Å; F48-V92 HydrophobicContact CB-CG1 3.76Å; F48-V92 HydrophobicContact CD2-CG1 3.67Å; F48-V92 WeakPolarHBondContact CD2-O 3.27Å; F48-V92 HydrophobicContact CE2-CG1 4.45Å; F48-V92 HydrophobicContact CG-CG1 3.84Å; L51-V92 HydrophobicContact CB-CG1 4.13Å; L51-V92 HydrophobicContact CD1-CB 4.44Å; L51-V92 HydrophobicContact CD1-CG1 4.16Å; L51-V92 HydrophobicContact CD1-CG2 4.19Å; L51-V92 HydrophobicContact CD2-CB 4.1Å; L51-V92 HydrophobicContact CD2-CG1 4.27Å; L51-V92 HydrophobicContact CD2-CG2 4.43Å; L51-V92 HydrophobicContact CG-CG1 4.42Å; L88-V92 WeakPolarHBondContact O-CG2 3.32Å; L88-V92 PolarHBondContact O-N 3.18Å; V92-C228 HydrophobicContact CG1-CB 3.65Å; V92-I251 HydrophobicContact CG2-CD1 3.92Å; V92-I251 HydrophobicContact CG2-CG2 4.44Å; V92-F303 HydrophobicContact CG2-CE1 4.38Å
93R97.1Very high96.4Very high1 Ų120.9 Ų20.90%0.0049%0.092CC..  trans50.461.7-178.8-54.3-179.7-174.6-168.5-3112.6E24 V36 D37 K40 P41 F89 N90 R95E24-R93 IonicContact OE2-CZ 3.17Å; E24-R93 IonicContact OE2-NH1 3.11Å; E24-R93 IonicContact OE2-NH2 2.72Å; E24-R93 PolarHBondContact OE2-NH2 2.92Å; V36-R93 VanDerWaalsContact CG1-NH2 3.35Å; D37-R93 PolarHBondContact O-NH1 2.77Å; K40-R93 PolarHBondContact O-NH1 3.09Å; P41-R93 PolarHBondContact O-NH1 2.66Å; F89-R93 VanDerWaalsContact O-CA 3.29Å; F89-R93 WeakPolarHBondContact O-CA 3.45Å; F89-R93 PolarHBondContact O-N 3.3Å; N90-R93 WeakPolarHBondContact O-CG 3.47Å; N90-R93 PolarHBondContact O-NE 2.78Å; R93-R95 VanDerWaalsContact O-CD 3.27Å; R93-R95 WeakPolarHBondContact O-CD 3.41Å; R93-R95 PolarHBondContact O-NE 3.38Å
94P97.8Very high96.7Very high2 Ų215.5 Ų15.51%0.0137%0.067CC..EExtended strand (participates in β ladder)trans-56.2139.7179.325.8-34.9000111.3F48 L51 F89 V97F48-P94 CarbonylContact O-C 3.59Å; F48-P94 WeakPolarHBondContact O-CA 3.4Å; L51-P94 HydrophobicContact CB-CB 3.77Å; L51-P94 HydrophobicContact CB-CG 3.87Å; L51-P94 HydrophobicContact CD2-CG 4.27Å; F89-P94 HydrophobicContact CD2-CG 3.76Å; F89-P94 HydrophobicContact CE2-CG 3.5Å; F89-P94 VanDerWaalsContact CE2-CG 3.5Å; F89-P94 HydrophobicContact CZ-CG 4.19Å; P94-V97 VanDerWaalsContact CB-O 3.29Å; P94-V97 WeakPolarHBondContact CB-O 3.4Å
95R96.8Very high96.8Very high73 Ų7314.1 Ų14.128%0.2756%0.062SC..EExtended strand (participates in β ladder)trans-105.4-11.3-173.8-56-52.6-175.2-173.30.7114.9T38 K40 E47 F48 D49 R93T38-R95 PolarHBondContact O-NH1 3.38Å; K40-R95 PolarHBondContact O-NH2 3.4Å; E47-R95 IonicContact OE1-NH2 3.66Å; E47-R95 IonicContact OE2-CZ 3.05Å; E47-R95 IonicContact OE2-NE 2.63Å; E47-R95 PolarHBondContact OE2-NE 3.45Å; E47-R95 IonicContact OE2-NH2 3.63Å; E47-R95 PolarHBondContact OE2-NH2 3.18Å; F48-R95 WeakPolarHBondContact O-CG 3.44Å; F48-R95 PolarHBondContact O-N 3.48Å; D49-R95 PolarHBondContact O-N 3.39Å; R93-R95 VanDerWaalsContact O-CD 3.27Å; R93-R95 WeakPolarHBondContact O-CD 3.41Å; R93-R95 PolarHBondContact O-NE 3.38Å
96R96.9Very high96.8Very high43 Ų4314.1 Ų14.116%0.1626%0.062CC..EExtended strand (participates in β ladder)trans-131.8-50.3178.4-49.3-173.9-157.9-176.713112.4D49 A192 D222D49-R96 HydrophobicContact CB-CG 4.08Å; D49-R96 VanDerWaalsContact CG-NH2 3.3Å; D49-R96 WeakPolarHBondContact O-CA 3.48Å; D49-R96 PolarHBondContact O-N 3.43Å; D49-R96 IonicContact OD1-CZ 2.77Å; D49-R96 IonicContact OD1-NE 3.18Å; D49-R96 PolarHBondContact OD1-NE 2.73Å; D49-R96 IonicContact OD1-NH2 3.95Å; D49-R96 PolarHBondContact OD1-NH2 2.98Å; D49-R96 IonicContact OD2-NH2 3.2Å; R96-A192 PolarHBondContact O-N 3.08Å; R96-D222 IonicContact CZ-OD2 3.34Å; R96-D222 IonicContact NH1-OD2 2.74Å; R96-D222 PolarHBondContact NH1-OD2 3.16Å; R96-D222 IonicContact NH2-OD2 3.59Å; R96-D222 PolarHBondContact NH2-OD2 3.13Å
97V98.1Very high96.9Very high0 Ų012.5 Ų12.50%05%0.053CC..EExtended strand (participates in β ladder)trans-131.1137.9-170.3179.90000113D49 N50 L51 P94 A192 F194 I728D49-V97 PolarHBondContact O-N 2.87Å; D49-V97 VanDerWaalsContact O-N 3.09Å; N50-V97 WeakPolarHBondContact CA-O 3.42Å; N50-V97 HydrophobicContact CB-CB 3.99Å; N50-V97 WeakPolarHBondContact OD1-CB 3.4Å; N50-V97 WeakPolarHBondContact OD1-CG2 3.39Å; L51-V97 PolarHBondContact N-O 3.34Å; P94-V97 VanDerWaalsContact CB-O 3.29Å; P94-V97 WeakPolarHBondContact CB-O 3.4Å; V97-A192 WeakPolarHBondContact CA-O 3.25Å; V97-F194 HydrophobicContact CG1-CD2 3.87Å; V97-F194 HydrophobicContact CG1-CE2 4.06Å; V97-F194 HydrophobicContact CG2-CE2 4.46Å; V97-I728 HydrophobicContact CG2-CD1 3.42Å; V97-I728 VanDerWaalsContact CG2-CD1 3.42Å
98L98.6Very high97Very high1 Ų19.6 Ų9.61%0.0054%0.042CC..EExtended strand (participates in β ladder)trans-116.4120155.6175.563.1000108.5L51 L53 F89 M100 W188 V191 A192 V193 F194L51-L98 HydrophobicContact CB-CD1 4.08Å; L51-L98 HydrophobicContact CD2-CD1 3.84Å; L51-L98 HydrophobicContact CG-CD1 3.8Å; L51-L98 CarbonylContact O-C 3.57Å; L51-L98 WeakPolarHBondContact O-CA 3.45Å; L53-L98 HydrophobicContact CD1-CD1 4.01Å; L53-L98 HydrophobicContact CG-CD1 4.04Å; F89-L98 HydrophobicContact CD2-CD2 4.39Å; L98-M100 HydrophobicContact CD1-CG 4.34Å; L98-M100 HydrophobicContact CD2-CG 4.3Å; L98-M100 HydrophobicContact CD2-SD 3.98Å; L98-M100 HydrophobicContact CG-CG 3.98Å; L98-M100 HydrophobicContact CG-SD 4.31Å; L98-W188 HydrophobicContact CD2-CE3 4.45Å; L98-W188 HydrophobicContact CD2-CH2 3.33Å; L98-W188 HydrophobicContact CD2-CZ2 4.1Å; L98-W188 HydrophobicContact CD2-CZ3 3.55Å; L98-V191 HydrophobicContact CB-CG1 4.02Å; L98-A192 PolarHBondContact N-O 3.13Å; L98-V193 HydrophobicContact CB-CG1 4.26Å; L98-V193 HydrophobicContact CB-CG2 4.3Å; L98-V193 HydrophobicContact CD2-CG1 4.07Å; L98-V193 HydrophobicContact CG-CG1 4.23Å; L98-V193 CarbonylContact O-C 3.52Å; L98-V193 VanDerWaalsContact O-CA 3.3Å; L98-V193 WeakPolarHBondContact O-CA 3.27Å; L98-F194 PolarHBondContact O-N 2.86Å
99Y98.7Very high96.9Very high2 Ų29.8 Ų9.81%0.0084%0.044CC..EExtended strand (participates in β ladder)trans-114.8122.5177-166.9-75.4000109.3L51 Y52 L53 A101 F194 I208 F211L51-Y99 PolarHBondContact O-N 3.21Å; Y52-Y99 CarbonylContact C-O 3.58Å; Y52-Y99 WeakPolarHBondContact CA-O 3.44Å; Y52-Y99 HydrophobicContact CD1-CG 4.18Å; L53-Y99 PolarHBondContact N-O 2.89Å; Y99-A101 HydrophobicContact CD1-CB 4.2Å; Y99-A101 HydrophobicContact CE1-CB 3.94Å; Y99-F194 HydrophobicContact CD2-CB 3.46Å; Y99-F194 VanDerWaalsContact CD2-CB 3.46Å; Y99-F194 HydrophobicContact CD2-CD2 4.36Å; Y99-F194 AromaticContact CD2-CG 3.92Å; Y99-F194 HydrophobicContact CD2-CG 3.92Å; Y99-F194 HydrophobicContact CE2-CB 3.84Å; Y99-F194 HydrophobicContact CE2-CG 4.3Å; Y99-F194 HydrophobicContact CG-CB 4.11Å; Y99-I208 HydrophobicContact CD1-CG1 3.76Å; Y99-I208 HydrophobicContact CE1-CG1 4.01Å; Y99-F211 HydrophobicContact CD2-CD1 4.06Å; Y99-F211 HydrophobicContact CD2-CD2 4.08Å; Y99-F211 HydrophobicContact CD2-CE1 4.24Å; Y99-F211 HydrophobicContact CD2-CE2 4.26Å; Y99-F211 AromaticContact CD2-CG 3.97Å; Y99-F211 HydrophobicContact CD2-CG 3.97Å; Y99-F211 HydrophobicContact CD2-CZ 4.32Å; Y99-F211 HydrophobicContact CE2-CB 3.96Å; Y99-F211 HydrophobicContact CE2-CD1 4.27Å; Y99-F211 AromaticContact CE2-CD2 3.65Å; Y99-F211 HydrophobicContact CE2-CD2 3.65Å; Y99-F211 HydrophobicContact CE2-CE2 4.16Å; Y99-F211 AromaticContact CE2-CG 3.7Å; Y99-F211 HydrophobicContact CE2-CG 3.7Å
100M98.6Very high96.8Very high0 Ų010.2 Ų10.20%05%0.046CC..EExtended strand (participates in β ladder)trans-115.5108.2-173.6-58.1-178.966.900109.3L53 M55 I85 L98 L174 V178 V193 F194 L195 S196L53-M100 HydrophobicContact CD1-CE 4.43Å; L53-M100 HydrophobicContact CD1-CG 4.28Å; M55-M100 HydrophobicContact CE-CE 3.93Å; M55-M100 HydrophobicContact CG-CB 4.33Å; M55-M100 HydrophobicContact SD-CB 4.14Å; M55-M100 HydrophobicContact SD-CE 3.71Å; I85-M100 HydrophobicContact CD1-CE 3.63Å; I85-M100 HydrophobicContact CG1-CE 4.11Å; I85-M100 HydrophobicContact CG2-CE 4.18Å; L98-M100 HydrophobicContact CD1-CG 4.34Å; L98-M100 HydrophobicContact CD2-CG 4.3Å; L98-M100 HydrophobicContact CD2-SD 3.98Å; L98-M100 HydrophobicContact CG-CG 3.98Å; L98-M100 HydrophobicContact CG-SD 4.31Å; M100-L174 HydrophobicContact CE-CD2 3.81Å; M100-V178 HydrophobicContact SD-CG2 4.11Å; M100-V193 HydrophobicContact SD-CG1 4.33Å; M100-F194 PolarHBondContact N-O 3.24Å; M100-L195 HydrophobicContact CB-CD1 4.05Å; M100-S196 PolarHBondContact O-N 3.04Å
101A98Very high96.8Very high0 Ų08.4 Ų8.40%04%0.036CC..EExtended strand (participates in β ladder)trans-112.1112.6-173.500000111.3L53 M55 Y99 G204 I208L53-A101 PolarHBondContact O-N 2.93Å; M55-A101 WeakPolarHBondContact CB-O 3.42Å; M55-A101 WeakPolarHBondContact CG-O 3.47Å; M55-A101 PolarHBondContact N-O 3.46Å; Y99-A101 HydrophobicContact CD1-CB 4.2Å; Y99-A101 HydrophobicContact CE1-CB 3.94Å; A101-G204 WeakPolarHBondContact CB-O 3.18Å; A101-I208 HydrophobicContact CB-CD1 3.77Å; A101-I208 HydrophobicContact CB-CG1 3.78Å
102I97.3Very high96.6Very high0 Ų09.4 Ų9.40%04%0.041CC..  trans-87.9144.9166.8-50.9176.3000107.5M55 G104 M167 L170 L174 S196 D197 A198 K207M55-I102 HydrophobicContact CB-CB 4.49Å; M55-I102 HydrophobicContact CB-CG1 3.87Å; M55-I102 HydrophobicContact CG-CG1 4Å; I102-G104 PolarHBondContact O-N 2.8Å; I102-M167 HydrophobicContact CG2-CE 3.47Å; I102-M167 VanDerWaalsContact CG2-CE 3.47Å; I102-M167 HydrophobicContact CG2-SD 4.2Å; I102-L170 HydrophobicContact CD1-CD2 4.08Å; I102-L170 HydrophobicContact CD1-CG 4.27Å; I102-L174 HydrophobicContact CD1-CD1 3.84Å; I102-S196 PolarHBondContact N-O 2.74Å; I102-D197 HydrophobicContact CD1-CB 4.17Å; I102-A198 HydrophobicContact CG2-CB 4.06Å; I102-K207 WeakPolarHBondContact O-CE 3.5Å; I102-K207 PolarHBondContact O-NZ 2.77Å
103D96.5Very high96.3Very high29 Ų2911.3 Ų11.316%0.1555%0.05CC..  trans-57.1125.7169.9-80.7-21.4000109.6N56 P162 A198 E203 G204N56-D103 VanDerWaalsContact ND2-CB 3.28Å; N56-D103 WeakPolarHBondContact ND2-CB 3.39Å; N56-D103 PolarHBondContact ND2-OD2 3.17Å; D103-P162 WeakPolarHBondContact O-CG 3.37Å; D103-A198 WeakPolarHBondContact O-CA 3.36Å; D103-A198 WeakPolarHBondContact O-CB 3.43Å; D103-E203 WeakPolarHBondContact OD1-CA 3.34Å; D103-G204 PolarHBondContact OD1-N 2.8Å
104G96.9Very high96.1Very high0 Ų012.2 Ų12.20%05%0.054CC..  trans-94.8-164.8163.600000111.9I102 A106 P162 A198 V200 G202I102-G104 PolarHBondContact O-N 2.8Å; G104-A106 PolarHBondContact O-N 3.11Å; G104-P162 WeakPolarHBondContact O-CG 3.42Å; G104-A198 WeakPolarHBondContact CA-O 3.48Å; G104-V200 WeakPolarHBondContact CA-O 3.46Å; G104-G202 WeakPolarHBondContact CA-O 3.2Å; G104-G202 PolarHBondContact N-O 2.77Å
105V97Very high96Very high1 Ų112.3 Ų12.31%0.0066%0.055CC..SBendtrans-59.2123.4175.1177.60000109.9P162 P201 G202 W570 P601 F602 P604 Q607V105-P162 HydrophobicContact CG2-CB 4.34Å; V105-P201 HydrophobicContact CB-CB 4.38Å; V105-G202 PolarHBondContact O-N 2.62Å; V105-W570 WeakPolarHBondContact O-CZ3 3.47Å; V105-P601 HydrophobicContact CB-CB 4.4Å; V105-P601 HydrophobicContact CG1-CB 4.06Å; V105-F602 HydrophobicContact CG1-CB 3.98Å; V105-F602 WeakPolarHBondContact CG1-O 3.36Å; V105-P604 HydrophobicContact CG2-CB 4.32Å; V105-P604 HydrophobicContact CG2-CG 4.02Å; V105-Q607 HydrophobicContact CG1-CB 4.19Å; V105-Q607 HydrophobicContact CG2-CB 4.39Å
106A96.4Very high95.8Very high1 Ų19.9 Ų9.91%0.0085%0.049CC..PPolyproline II helixtrans-93.2161.5-175.800000111.7G104 K110 E203G104-A106 PolarHBondContact O-N 3.11Å; A106-K110 HydrophobicContact CB-CB 3.97Å; A106-K110 HydrophobicContact CB-CG 4.07Å; A106-E203 HydrophobicContact CB-CG 3.84Å
107P96.8Very high95.5Very high0 Ų013.4 Ų13.40%06%0.062CC..PPolyproline II helixtrans-63.4153.1174.7-20.933.7000112.6A109 K110 M111 W558 Y562 C567 W570P107-A109 PolarHBondContact O-N 2.77Å; P107-K110 PolarHBondContact O-N 3.22Å; P107-M111 PolarHBondContact O-N 3.46Å; P107-W558 HydrophobicContact CB-CH2 3.89Å; P107-W558 HydrophobicContact CB-CZ2 3.52Å; P107-W558 HydrophobicContact CG-CH2 4.05Å; P107-W558 HydrophobicContact CG-CZ2 3.92Å; P107-Y562 HydrophobicContact CG-CE1 4.33Å; P107-Y562 HydrophobicContact CG-CE2 4.28Å; P107-C567 VanDerWaalsContact CG-SG 3.55Å; P107-W570 HydrophobicContact CB-CE3 4.23Å; P107-W570 HydrophobicContact CG-CE3 3.93Å; P107-W570 HydrophobicContact CG-CZ3 3.93Å
108R95.3Very high95.2Very high4 Ų414.4 Ų14.42%0.0157%0.066CC..Hα-helixtrans-53.2-32.7-176.7-169.275.3-168.980.912.9113.4M111 N112 W570 K571 F573 V663R108-M111 PolarHBondContact O-N 3.26Å; R108-N112 PolarHBondContact NH1-OD1 2.65Å; R108-N112 PolarHBondContact NH2-OD1 3.49Å; R108-N112 VanDerWaalsContact NH2-OD1 3.16Å; R108-N112 PolarHBondContact O-N 3.5Å; R108-N112 PolarHBondContact O-ND2 2.64Å; R108-W570 WeakPolarHBondContact CB-O 3.37Å; R108-W570 PolarHBondContact N-O 2.98Å; R108-K571 WeakPolarHBondContact CB-O 3.49Å; R108-K571 WeakPolarHBondContact CG-O 3.14Å; R108-F573 HydrophobicContact CB-CB 4.5Å; R108-F573 HydrophobicContact CG-CB 4.16Å; R108-F573 HydrophobicContact CG-CD1 3.71Å; R108-F573 HydrophobicContact CG-CE1 4.45Å; R108-F573 HydrophobicContact CG-CG 4.18Å; R108-V663 PolarHBondContact NH2-O 2.98Å
109A93.4Very high94.9Very high4 Ų414.6 Ų14.63%0.0337%0.066CC..Hα-helixtrans-56.3-51.9171.100000112.9P107 F346 W558 W572 F573P107-A109 PolarHBondContact O-N 2.77Å; A109-F346 HydrophobicContact CB-CB 4.28Å; A109-F346 HydrophobicContact CB-CD1 3.98Å; A109-W558 HydrophobicContact CB-CE3 4.47Å; A109-W558 HydrophobicContact CB-CH2 4.02Å; A109-W558 HydrophobicContact CB-CZ2 4.28Å; A109-W558 HydrophobicContact CB-CZ3 4.12Å; A109-W572 HydrophobicContact CB-CE3 4.19Å; A109-W572 HydrophobicContact CB-CZ3 4.05Å; A109-W572 PolarHBondContact N-O 3.44Å; A109-F573 HydrophobicContact CB-CB 4.48Å
110K94.3Very high94.5Very high13 Ų1316.6 Ų16.66%0.0577%0.074CC..Hα-helixtrans-70.1-37177.1-17174.3167.2-136.20112.1A106 P107 N112 Q113 Q114 E203 D345 F346A106-K110 HydrophobicContact CB-CB 3.97Å; A106-K110 HydrophobicContact CB-CG 4.07Å; P107-K110 PolarHBondContact O-N 3.22Å; K110-N112 PolarHBondContact O-N 3.39Å; K110-N112 VanDerWaalsContact O-N 3.13Å; K110-Q113 WeakPolarHBondContact O-CA 3.34Å; K110-Q113 WeakPolarHBondContact O-CB 3.41Å; K110-Q113 PolarHBondContact O-N 2.81Å; K110-Q114 HydrophobicContact CG-CG 4.19Å; K110-Q114 PolarHBondContact O-N 3.42Å; K110-E203 WeakPolarHBondContact CD-OE2 3.35Å; K110-E203 WeakPolarHBondContact CE-OE2 3.41Å; K110-E203 HydrophobicContact CG-CG 4.25Å; K110-E203 VanDerWaalsContact CG-OE2 3.32Å; K110-E203 WeakPolarHBondContact CG-OE2 3.28Å; K110-E203 IonicContact NZ-OE2 3.88Å; K110-E203 PolarHBondContact NZ-OE2 3.49Å; K110-D345 HydrophobicContact CD-CB 4.19Å; K110-D345 VanDerWaalsContact CE-OD2 3.23Å; K110-D345 WeakPolarHBondContact CE-OD2 3.36Å; K110-D345 IonicContact NZ-OD2 3.04Å; K110-D345 PolarHBondContact NZ-OD2 3.06Å; K110-F346 HydrophobicContact CB-CD1 4.38Å; K110-F346 HydrophobicContact CB-CE1 4.04Å; K110-F346 HydrophobicContact CD-CE1 4.05Å
111M95.1Very high93.9Very high0 Ų018.6 Ų18.60%09%0.09CC..Hα-helixtrans-53-36.7177.6-68173.466.700112.3P107 R108 Q114 R115 F602 Q607 V611P107-M111 PolarHBondContact O-N 3.46Å; R108-M111 PolarHBondContact O-N 3.26Å; M111-Q114 PolarHBondContact O-N 3.19Å; M111-R115 VanDerWaalsContact O-CB 3.31Å; M111-R115 WeakPolarHBondContact O-CB 3.36Å; M111-R115 PolarHBondContact O-N 3.12Å; M111-F602 HydrophobicContact CE-CD1 4.06Å; M111-F602 HydrophobicContact CE-CE1 4.26Å; M111-F602 HydrophobicContact CE-CG 4.2Å; M111-F602 HydrophobicContact SD-CD2 4.15Å; M111-F602 HydrophobicContact SD-CE2 4.46Å; M111-F602 HydrophobicContact SD-CG 4.31Å; M111-Q607 HydrophobicContact CE-CB 4.33Å; M111-Q607 HydrophobicContact CE-CG 4.16Å; M111-Q607 HydrophobicContact CG-CG 4.46Å; M111-V611 HydrophobicContact CB-CG1 3.98Å; M111-V611 HydrophobicContact CE-CG1 4.4Å; M111-V611 HydrophobicContact CG-CG1 4.35Å
112N92.5Very high93.4Very high24 Ų2420.1 Ų20.113%0.12810%0.101CC..Hα-helixtrans-69.4-36.8176.4-71.1-34.7000113R108 K110 S116 F573R108-N112 PolarHBondContact NH1-OD1 2.65Å; R108-N112 PolarHBondContact NH2-OD1 3.49Å; R108-N112 VanDerWaalsContact NH2-OD1 3.16Å; R108-N112 PolarHBondContact O-N 3.5Å; R108-N112 PolarHBondContact O-ND2 2.64Å; K110-N112 PolarHBondContact O-N 3.39Å; K110-N112 VanDerWaalsContact O-N 3.13Å; N112-S116 WeakPolarHBondContact O-CB 3.41Å; N112-S116 PolarHBondContact O-N 2.89Å; N112-F573 WeakPolarHBondContact ND2-CD2 3.34Å; N112-F573 WeakPolarHBondContact ND2-CG 3.19Å
113Q91.3Very high92.9Very high40 Ų4022.3 Ų22.319%0.18711%0.111CC..Hα-helixtrans-64.8-47.9172.4-170.3-88.52400110.4K110 R115 S116 R117 D345K110-Q113 WeakPolarHBondContact O-CA 3.34Å; K110-Q113 WeakPolarHBondContact O-CB 3.41Å; K110-Q113 PolarHBondContact O-N 2.81Å; Q113-R115 PolarHBondContact O-N 3.22Å; Q113-S116 WeakPolarHBondContact O-CB 3.48Å; Q113-S116 PolarHBondContact O-N 3.46Å; Q113-R117 PolarHBondContact O-N 3.24Å; Q113-R117 VanDerWaalsContact OE1-CD 3.23Å; Q113-D345 WeakPolarHBondContact CB-O 3.46Å; Q113-D345 HydrophobicContact CG-CB 4.2Å; Q113-D345 PolarHBondContact NE2-OD1 3.41Å; Q113-D345 PolarHBondContact NE2-OD2 3.31Å
114Q93Very high92.4Very high19 Ų1924.6 Ų24.69%0.08912%0.121CC..Hα-helixtrans-58-51.1176.9-73.4175-11.500110.5K110 M111 S116 R117 R118 V611K110-Q114 HydrophobicContact CG-CG 4.19Å; K110-Q114 PolarHBondContact O-N 3.42Å; M111-Q114 PolarHBondContact O-N 3.19Å; Q114-S116 VanDerWaalsContact C-N 3.31Å; Q114-S116 PolarHBondContact O-N 3.11Å; Q114-R117 CarbonylContact O-C 3.46Å; Q114-R117 WeakPolarHBondContact O-CA 3.43Å; Q114-R117 WeakPolarHBondContact O-CB 3.31Å; Q114-R117 PolarHBondContact O-N 3.45Å; Q114-R118 VanDerWaalsContact O-CG 3.29Å; Q114-R118 WeakPolarHBondContact O-CG 3.31Å; Q114-R118 PolarHBondContact O-N 3.14Å; Q114-V611 HydrophobicContact CB-CG1 4.38Å
115R94.7Very high91.7Very high5 Ų525 Ų252%0.01913%0.125CC..Hα-helixtrans-54.2-45.7175.5-174.5159.7163-111.911.1112.4M111 Q113 R117 R118 F119 G610 V611 F638 L660 P661M111-R115 VanDerWaalsContact O-CB 3.31Å; M111-R115 WeakPolarHBondContact O-CB 3.36Å; M111-R115 PolarHBondContact O-N 3.12Å; Q113-R115 PolarHBondContact O-N 3.22Å; R115-R117 VanDerWaalsContact C-N 3.27Å; R115-R117 PolarHBondContact O-N 3.11Å; R115-R118 PolarHBondContact O-N 3.39Å; R115-F119 HydrophobicContact CG-CD2 3.64Å; R115-F119 HydrophobicContact CG-CE2 3.62Å; R115-F119 WeakPolarHBondContact O-CD2 3.39Å; R115-F119 PolarHBondContact O-N 3.37Å; R115-G610 VanDerWaalsContact CD-O 3.23Å; R115-G610 WeakPolarHBondContact CD-O 3.49Å; R115-V611 WeakPolarHBondContact CA-O 3.37Å; R115-V611 HydrophobicContact CB-CB 4.27Å; R115-F638 PolarHBondContact NH2-O 3.24Å; R115-L660 HydrophobicContact CG-CD1 4.18Å; R115-P661 VanDerWaalsContact CZ-O 3.27Å; R115-P661 PolarHBondContact NH1-O 3.14Å; R115-P661 PolarHBondContact NH2-O 3.36Å
116S92Very high91Very high21 Ų2127.8 Ų27.815%0.14715%0.148CC..Hα-helixtrans-60.7-33.1176.2-1740000113.1N112 Q113 Q114 R120N112-S116 WeakPolarHBondContact O-CB 3.41Å; N112-S116 PolarHBondContact O-N 2.89Å; Q113-S116 WeakPolarHBondContact O-CB 3.48Å; Q113-S116 PolarHBondContact O-N 3.46Å; Q114-S116 VanDerWaalsContact C-N 3.31Å; Q114-S116 PolarHBondContact O-N 3.11Å; S116-R120 WeakPolarHBondContact O-CB 3.43Å; S116-R120 WeakPolarHBondContact O-CG 3.47Å; S116-R120 PolarHBondContact O-NE 2.8Å; S116-R120 PolarHBondContact OG-NH2 2.99Å
117R90.8Very high90.5Very high117 Ų11732.5 Ų32.544%0.44217%0.17SC..Hα-helixtrans-74.6-46.5172.1-70.5176.761.7-146.1-2.7112.1Q113 Q114 R115 R120 A121Q113-R117 PolarHBondContact O-N 3.24Å; Q113-R117 VanDerWaalsContact OE1-CD 3.23Å; Q114-R117 CarbonylContact O-C 3.46Å; Q114-R117 WeakPolarHBondContact O-CA 3.43Å; Q114-R117 WeakPolarHBondContact O-CB 3.31Å; Q114-R117 PolarHBondContact O-N 3.45Å; R115-R117 VanDerWaalsContact C-N 3.27Å; R115-R117 PolarHBondContact O-N 3.11Å; R117-R120 PolarHBondContact O-N 3.22Å; R117-A121 WeakPolarHBondContact O-CB 3.21Å; R117-A121 PolarHBondContact O-N 3.09Å
118R91.9Very high89.8Confident22 Ų2236.7 Ų36.78%0.08319%0.191CC..Hα-helixtrans-63-45.9-176.4-64.3-66.6177.3-156.55.6112.3Q114 R115 A121 S122 S157 N158 I160 T161 F612Q114-R118 VanDerWaalsContact O-CG 3.29Å; Q114-R118 WeakPolarHBondContact O-CG 3.31Å; Q114-R118 PolarHBondContact O-N 3.14Å; R115-R118 PolarHBondContact O-N 3.39Å; R118-A121 PolarHBondContact O-N 3.21Å; R118-S122 PolarHBondContact O-N 2.92Å; R118-S157 PolarHBondContact NH1-O 3.34Å; R118-N158 VanDerWaalsContact CD-CG 3.47Å; R118-N158 WeakPolarHBondContact CD-OD1 3.33Å; R118-N158 PolarHBondContact NH1-OD1 2.93Å; R118-I160 PolarHBondContact NH2-O 3.29Å; R118-T161 PolarHBondContact NH2-OG1 2.67Å; R118-F612 HydrophobicContact CG-CD1 4.48Å
119F92.8Very high89.2Confident4 Ų439.1 Ų39.12%0.01821%0.207CC..Hα-helixtrans-62.4-41.8174-87.4-108.7000112.3R115 S122 K123 F612 P613 Y639 F643 L660R115-F119 HydrophobicContact CG-CD2 3.64Å; R115-F119 HydrophobicContact CG-CE2 3.62Å; R115-F119 WeakPolarHBondContact O-CD2 3.39Å; R115-F119 PolarHBondContact O-N 3.37Å; F119-S122 PolarHBondContact O-N 3.34Å; F119-K123 PolarHBondContact O-N 2.92Å; F119-F612 VanDerWaalsContact CE2-C 3.47Å; F119-F612 VanDerWaalsContact CE2-O 3.31Å; F119-F612 WeakPolarHBondContact CE2-O 3.18Å; F119-P613 HydrophobicContact CD1-CB 3.97Å; F119-P613 HydrophobicContact CD2-CB 3.98Å; F119-P613 HydrophobicContact CD2-CG 4.45Å; F119-P613 HydrophobicContact CE1-CB 3.99Å; F119-P613 HydrophobicContact CE2-CB 4.01Å; F119-P613 HydrophobicContact CG-CB 3.98Å; F119-P613 HydrophobicContact CZ-CB 4.02Å; F119-Y639 HydrophobicContact CZ-CD1 4.34Å; F119-F643 HydrophobicContact CB-CE1 3.87Å; F119-F643 HydrophobicContact CB-CZ 4.01Å; F119-F643 HydrophobicContact CD1-CD1 4.16Å; F119-F643 HydrophobicContact CD1-CE1 4.1Å; F119-L660 HydrophobicContact CB-CD1 3.78Å; F119-L660 HydrophobicContact CB-CD2 4.36Å; F119-L660 HydrophobicContact CD1-CD1 4.17Å; F119-L660 HydrophobicContact CD1-CD2 3.58Å; F119-L660 HydrophobicContact CD2-CD1 4.02Å; F119-L660 HydrophobicContact CE1-CD2 4.01Å; F119-L660 HydrophobicContact CG-CD1 3.73Å; F119-L660 HydrophobicContact CG-CD2 4.02Å
120R89.4Confident88.9Confident44 Ų4445.1 Ų45.117%0.16623%0.234CC..Hα-helixtrans-65-46.9175.3-83.6-177.4-76.6170.3-7.7112.7S116 R117 S122 K123 E124 F643 I645 W654 A658S116-R120 WeakPolarHBondContact O-CB 3.43Å; S116-R120 WeakPolarHBondContact O-CG 3.47Å; S116-R120 PolarHBondContact O-NE 2.8Å; S116-R120 PolarHBondContact OG-NH2 2.99Å; R117-R120 PolarHBondContact O-N 3.22Å; R120-S122 PolarHBondContact O-N 3.08Å; R120-K123 PolarHBondContact O-N 2.66Å; R120-K123 VanDerWaalsContact O-N 3.12Å; R120-E124 WeakPolarHBondContact O-CB 3.13Å; R120-E124 WeakPolarHBondContact O-CG 3.46Å; R120-E124 PolarHBondContact O-N 3.24Å; R120-F643 HydrophobicContact CG-CE2 3.99Å; R120-F643 HydrophobicContact CG-CZ 4.05Å; R120-I645 HydrophobicContact CG-CD1 4.22Å; R120-W654 PolarHBondContact NH1-O 2.99Å; R120-A658 HydrophobicContact CG-CB 4.18Å
121A86.4Confident88.4Confident42 Ų4246.5 Ų46.535%0.34724%0.241SC..Hα-helixtrans-59.1-35.1176.700000112.4R117 R118 G125R117-A121 WeakPolarHBondContact O-CB 3.21Å; R117-A121 PolarHBondContact O-N 3.09Å; R118-A121 PolarHBondContact O-N 3.21Å; A121-G125 VanDerWaalsContact O-CA 3.31Å; A121-G125 WeakPolarHBondContact O-CA 3.28Å; A121-G125 PolarHBondContact O-N 3.24Å
122S87.6Confident87.8Confident32 Ų3249 Ų4922%0.22425%0.252CS..Hα-helixtrans-67.8-46.7172.7-169.90000112.5R118 F119 R120 G125 A126 A615R118-S122 PolarHBondContact O-N 2.92Å; F119-S122 PolarHBondContact O-N 3.34Å; R120-S122 PolarHBondContact O-N 3.08Å; S122-G125 PolarHBondContact O-N 2.78Å; S122-A126 PolarHBondContact O-N 3.1Å; S122-A615 WeakPolarHBondContact OG-CB 3.3Å
123K87.4Confident87.4Confident47 Ų4751.1 Ų51.120%0.20426%0.263CS..Hα-helixtrans-66.8-55.4179.8176.9166173.4167.60112.2F119 R120 G125 A126 E127 D642 F643F119-K123 PolarHBondContact O-N 2.92Å; R120-K123 PolarHBondContact O-N 2.66Å; R120-K123 VanDerWaalsContact O-N 3.12Å; K123-G125 PolarHBondContact O-N 3.47Å; K123-A126 PolarHBondContact O-N 3.06Å; K123-E127 WeakPolarHBondContact CE-OE1 3.41Å; K123-E127 HydrophobicContact CG-CG 4.4Å; K123-E127 WeakPolarHBondContact CG-OE1 3.24Å; K123-E127 WeakPolarHBondContact O-CG 3.16Å; K123-E127 PolarHBondContact O-N 3.02Å; K123-D642 WeakPolarHBondContact CE-OD1 3.2Å; K123-D642 IonicContact NZ-OD1 3.72Å; K123-D642 PolarHBondContact NZ-OD1 2.92Å; K123-D642 IonicContact NZ-OD2 2.76Å; K123-F643 HydrophobicContact CB-CE1 4.08Å; K123-F643 HydrophobicContact CB-CZ 4.04Å; K123-F643 HydrophobicContact CD-CE1 3.98Å; K123-F643 HydrophobicContact CD-CE2 4.48Å; K123-F643 HydrophobicContact CD-CZ 3.93Å; K123-F643 PolarHBondContact NZ-O 3.49Å
124E84.6Confident87.2Confident77 Ų7755 Ų5536%0.3628%0.276SS..Hα-helixtrans-55.7-36.3173.9-65.7173.4-177.700110.6R120 L128R120-E124 WeakPolarHBondContact O-CB 3.13Å; R120-E124 WeakPolarHBondContact O-CG 3.46Å; R120-E124 PolarHBondContact O-N 3.24Å; E124-L128 WeakPolarHBondContact O-CB 3.26Å; E124-L128 PolarHBondContact O-N 3.37Å
125G82.4Confident86.8Confident9 Ų954.9 Ų54.99%0.09328%0.276CS..Hα-helixtrans-69.8-26.4176.600000115.2A121 S122 K123 T129 R154A121-G125 VanDerWaalsContact O-CA 3.31Å; A121-G125 WeakPolarHBondContact O-CA 3.28Å; A121-G125 PolarHBondContact O-N 3.24Å; S122-G125 PolarHBondContact O-N 2.78Å; K123-G125 PolarHBondContact O-N 3.47Å; G125-T129 PolarHBondContact O-OG1 3.05Å; G125-R154 PolarHBondContact O-NH1 3.5Å; G125-R154 PolarHBondContact O-NH2 2.87Å
126A83.9Confident86.2Confident59 Ų5956.5 Ų56.549%0.48828%0.282SS..Hα-helixtrans-82.8-50.4172.800000110.7S122 K123 L128 T129 E130S122-A126 PolarHBondContact O-N 3.1Å; K123-A126 PolarHBondContact O-N 3.06Å; A126-L128 VanDerWaalsContact C-N 3.3Å; A126-L128 PolarHBondContact O-N 3.41Å; A126-T129 WeakPolarHBondContact O-CA 3.38Å; A126-T129 WeakPolarHBondContact O-CB 3.04Å; A126-T129 PolarHBondContact O-N 3.4Å; A126-E130 PolarHBondContact O-N 3.37Å
127E85.8Confident86Confident99 Ų9961.1 Ų61.146%0.46330%0.301SS..Hα-helixtrans-53.1-44.3177-69.7173172.200112K123 T129 E130 E131K123-E127 WeakPolarHBondContact CE-OE1 3.41Å; K123-E127 HydrophobicContact CG-CG 4.4Å; K123-E127 WeakPolarHBondContact CG-OE1 3.24Å; K123-E127 WeakPolarHBondContact O-CG 3.16Å; K123-E127 PolarHBondContact O-N 3.02Å; E127-T129 VanDerWaalsContact C-N 3.28Å; E127-T129 PolarHBondContact O-N 2.95Å; E127-E130 PolarHBondContact O-N 3.12Å; E127-E131 WeakPolarHBondContact O-CB 3.32Å; E127-E131 PolarHBondContact O-N 2.86Å
128L81.9Confident85.7Confident88 Ų8858.9 Ų58.946%0.46130%0.296SS..Hα-helixtrans-63.8-31.7176179.862.1000112.9E124 A126 K132 I273E124-L128 WeakPolarHBondContact O-CB 3.26Å; E124-L128 PolarHBondContact O-N 3.37Å; A126-L128 VanDerWaalsContact C-N 3.3Å; A126-L128 PolarHBondContact O-N 3.41Å; L128-K132 WeakPolarHBondContact O-CB 3.2Å; L128-K132 PolarHBondContact O-N 2.84Å; L128-I273 HydrophobicContact CD1-CD1 3.88Å
129T82.8Confident85.4Confident55 Ų5558.2 Ų58.234%0.33729%0.294SS..Hα-helixtrans-73.8-42.7178.9-51.20000110.4G125 A126 E127 K132 N133 R154G125-T129 PolarHBondContact O-OG1 3.05Å; A126-T129 WeakPolarHBondContact O-CA 3.38Å; A126-T129 WeakPolarHBondContact O-CB 3.04Å; A126-T129 PolarHBondContact O-N 3.4Å; E127-T129 VanDerWaalsContact C-N 3.28Å; E127-T129 PolarHBondContact O-N 2.95Å; T129-K132 PolarHBondContact O-N 3.43Å; T129-N133 WeakPolarHBondContact O-CB 3.33Å; T129-N133 VanDerWaalsContact O-CG 3.25Å; T129-N133 PolarHBondContact O-N 3.08Å; T129-R154 PolarHBondContact OG1-NH1 2.85Å
130E85.9Confident85Confident130 Ų13062.8 Ų62.861%0.60732%0.317SS*.Hα-helixtrans-63.8-47.2174.5-166.1-168.4145.600111.6A126 E127 K132 N133 R134A126-E130 PolarHBondContact O-N 3.37Å; E127-E130 PolarHBondContact O-N 3.12Å; E130-K132 PolarHBondContact O-N 3.3Å; E130-N133 PolarHBondContact O-N 3.39Å; E130-R134 WeakPolarHBondContact O-CB 3.5Å; E130-R134 PolarHBondContact O-N 2.85Å
131E84Confident84.9Confident43 Ų4368.3 Ų68.320%0.20135%0.345CS..Hα-helixtrans-61.1-42.3175.9177.6157.1-101.900111.5E127 N133 R134 M135 K274E127-E131 WeakPolarHBondContact O-CB 3.32Å; E127-E131 PolarHBondContact O-N 2.86Å; E131-N133 PolarHBondContact O-N 2.69Å; E131-R134 IonicContact OE1-NH2 3.34Å; E131-R134 PolarHBondContact OE1-NH2 3.3Å; E131-M135 HydrophobicContact CG-CG 4.1Å; E131-M135 VanDerWaalsContact O-CB 3.28Å; E131-M135 WeakPolarHBondContact O-CB 3.1Å; E131-M135 WeakPolarHBondContact O-CG 3.43Å; E131-M135 PolarHBondContact O-N 2.9Å; E131-K274 WeakPolarHBondContact OE1-CE 3.19Å; E131-K274 IonicContact OE1-NZ 3.08Å; E131-K274 VanDerWaalsContact OE2-CE 3.28Å; E131-K274 WeakPolarHBondContact OE2-CE 3.31Å; E131-K274 IonicContact OE2-NZ 2.84Å
132K81.8Confident84.8Confident52 Ų5275.2 Ų75.223%0.22636%0.362CS..Hα-helixtrans-60.1-44.2175.7-172.9-166.2177.4-155.30111.9L128 T129 E130 R136 E149 L265L128-K132 WeakPolarHBondContact O-CB 3.2Å; L128-K132 PolarHBondContact O-N 2.84Å; T129-K132 PolarHBondContact O-N 3.43Å; E130-K132 PolarHBondContact O-N 3.3Å; K132-R136 WeakPolarHBondContact O-CB 3.29Å; K132-R136 PolarHBondContact O-N 2.78Å; K132-E149 IonicContact NZ-OE1 2.71Å; K132-E149 PolarHBondContact NZ-OE1 3.1Å; K132-E149 IonicContact NZ-OE2 3.53Å; K132-E149 PolarHBondContact NZ-OE2 3.33Å; K132-L265 HydrophobicContact CG-CD2 3.61Å
133N85.3Confident84.4Confident69 Ų6977 Ų7737%0.36939%0.385SS..Hα-helixtrans-66.8-50.3179.8-71.1-10.1000111.3T129 E130 E131 M135 R136 E137T129-N133 WeakPolarHBondContact O-CB 3.33Å; T129-N133 VanDerWaalsContact O-CG 3.25Å; T129-N133 PolarHBondContact O-N 3.08Å; E130-N133 PolarHBondContact O-N 3.39Å; E131-N133 PolarHBondContact O-N 2.69Å; N133-M135 VanDerWaalsContact C-N 3.34Å; N133-M135 PolarHBondContact O-N 3.03Å; N133-R136 PolarHBondContact O-N 2.84Å; N133-R136 VanDerWaalsContact O-N 3.14Å; N133-E137 PolarHBondContact O-N 2.91Å
134R87.3Confident83.9Confident120 Ų12075.6 Ų75.645%0.45338%0.384SS..Hα-helixtrans-55.8-45.8176.6-173.6-176.170.4-137.4-2.8112.2E130 E131 E137 E138E130-R134 WeakPolarHBondContact O-CB 3.5Å; E130-R134 PolarHBondContact O-N 2.85Å; E131-R134 IonicContact OE1-NH2 3.34Å; E131-R134 PolarHBondContact OE1-NH2 3.3Å; R134-E137 PolarHBondContact O-N 3.33Å; R134-E138 PolarHBondContact O-N 3.49Å
135M83.7Confident83.5Confident18 Ų1878.9 Ų78.99%0.08940%0.398CS..Hα-helixtrans-69-36.6178.1-68.2-62.5-5500112.3E131 N133 I139 L265 I273E131-M135 HydrophobicContact CG-CG 4.1Å; E131-M135 VanDerWaalsContact O-CB 3.28Å; E131-M135 WeakPolarHBondContact O-CB 3.1Å; E131-M135 WeakPolarHBondContact O-CG 3.43Å; E131-M135 PolarHBondContact O-N 2.9Å; N133-M135 VanDerWaalsContact C-N 3.34Å; N133-M135 PolarHBondContact O-N 3.03Å; M135-I139 WeakPolarHBondContact O-CB 3.2Å; M135-I139 WeakPolarHBondContact O-CD1 3.2Å; M135-I139 WeakPolarHBondContact O-CG1 3.37Å; M135-I139 PolarHBondContact O-N 3.45Å; M135-L265 HydrophobicContact CB-CD1 3.75Å; M135-I273 HydrophobicContact CB-CG2 4.5Å; M135-I273 HydrophobicContact CG-CG2 4.19Å
136R83.3Confident83.2Confident39 Ų3979.3 Ų79.315%0.14740%0.398CS..Hα-helixtrans-60.9-48.3172.7169179.2-88.3132.9-10.8110.8K132 N133 I139 I140 L146 P147 E149 L265K132-R136 WeakPolarHBondContact O-CB 3.29Å; K132-R136 PolarHBondContact O-N 2.78Å; N133-R136 PolarHBondContact O-N 2.84Å; N133-R136 VanDerWaalsContact O-N 3.14Å; R136-I139 PolarHBondContact O-N 2.87Å; R136-I140 HydrophobicContact CG-CD1 3.61Å; R136-I140 HydrophobicContact CG-CG1 4.4Å; R136-I140 WeakPolarHBondContact O-CB 3.25Å; R136-I140 VanDerWaalsContact O-CG1 3.29Å; R136-I140 WeakPolarHBondContact O-CG1 3.45Å; R136-I140 PolarHBondContact O-N 2.72Å; R136-L146 HydrophobicContact CB-CD1 3.99Å; R136-L146 HydrophobicContact CG-CD1 3.89Å; R136-P147 PolarHBondContact NH2-O 3.32Å; R136-E149 IonicContact CZ-OE1 2.94Å; R136-E149 IonicContact CZ-OE2 3.33Å; R136-E149 IonicContact NH1-OE1 2.74Å; R136-E149 PolarHBondContact NH1-OE1 3.43Å; R136-E149 IonicContact NH1-OE2 2.8Å; R136-E149 PolarHBondContact NH1-OE2 2.92Å; R136-E149 IonicContact NH2-OE1 3.71Å; R136-E149 PolarHBondContact NH2-OE1 3.16Å; R136-L265 HydrophobicContact CB-CD2 4.32Å
137E86Confident82.6Confident117 Ų11778.8 Ų78.855%0.54739%0.389SS..Hα-helixtrans-60.1-46.9178.7-73.2177.2-163.300111.6N133 R134 I139 I140 Q141N133-E137 PolarHBondContact O-N 2.91Å; R134-E137 PolarHBondContact O-N 3.33Å; E137-I139 PolarHBondContact O-N 3.47Å; E137-I140 PolarHBondContact O-N 3.12Å; E137-Q141 WeakPolarHBondContact O-CB 3.15Å; E137-Q141 VanDerWaalsContact O-CG 3.26Å; E137-Q141 WeakPolarHBondContact O-CG 3.36Å; E137-Q141 PolarHBondContact O-N 2.85Å
138E86.5Confident81.6Confident71 Ų7179.2 Ų79.233%0.33240%0.403SS..Hα-helixtrans-61.4-42.3177.5177.9167-142.700112.4R134 Q141 R142R134-E138 PolarHBondContact O-N 3.49Å; E138-Q141 PolarHBondContact O-N 3.17Å; E138-R142 WeakPolarHBondContact O-CB 3.46Å; E138-R142 WeakPolarHBondContact O-CD 3.37Å; E138-R142 WeakPolarHBondContact O-CG 3.44Å; E138-R142 PolarHBondContact O-N 3.02Å; E138-R142 IonicContact OE1-CZ 3.25Å; E138-R142 VanDerWaalsContact OE1-CZ 3.24Å; E138-R142 IonicContact OE1-NE 2.66Å; E138-R142 PolarHBondContact OE1-NE 3.28Å; E138-R142 IonicContact OE1-NH2 2.85Å; E138-R142 PolarHBondContact OE1-NH2 2.73Å
139I84.6Confident80.7Confident8 Ų879.3 Ų79.34%0.04140%0.401CS..Hα-helixtrans-65.1-42.6177.7-70.2163.4000110.9M135 R136 E137 R142 G143 G144 L146 L265 C276M135-I139 WeakPolarHBondContact O-CB 3.2Å; M135-I139 WeakPolarHBondContact O-CD1 3.2Å; M135-I139 WeakPolarHBondContact O-CG1 3.37Å; M135-I139 PolarHBondContact O-N 3.45Å; R136-I139 PolarHBondContact O-N 2.87Å; E137-I139 PolarHBondContact O-N 3.47Å; I139-R142 CarbonylContact O-C 3.49Å; I139-R142 PolarHBondContact O-N 3.3Å; I139-G143 PolarHBondContact O-N 3.26Å; I139-G144 WeakPolarHBondContact O-CA 3.32Å; I139-G144 PolarHBondContact O-N 3.47Å; I139-L146 HydrophobicContact CB-CD1 3.92Å; I139-L146 HydrophobicContact CB-CG 4.49Å; I139-L146 HydrophobicContact CD1-CD1 4.07Å; I139-L146 HydrophobicContact CG2-CD1 3.79Å; I139-L146 HydrophobicContact CG2-CD2 4.3Å; I139-L146 HydrophobicContact CG2-CG 3.79Å; I139-L265 HydrophobicContact CD1-CD1 3.83Å; I139-C276 HydrophobicContact CD1-CB 4.01Å; I139-C276 WeakPolarHBondContact CD1-O 3.49Å; I139-C276 WeakPolarHBondContact CG1-O 3Å
140I84.4Confident79.4Confident99 Ų9983 Ų8351%0.50842%0.415SS..Hα-helixtrans-65.6-43177.6-69.3170.9000110.9R136 E137 R142 G143R136-I140 HydrophobicContact CG-CD1 3.61Å; R136-I140 HydrophobicContact CG-CG1 4.4Å; R136-I140 WeakPolarHBondContact O-CB 3.25Å; R136-I140 VanDerWaalsContact O-CG1 3.29Å; R136-I140 WeakPolarHBondContact O-CG1 3.45Å; R136-I140 PolarHBondContact O-N 2.72Å; E137-I140 PolarHBondContact O-N 3.12Å; I140-R142 VanDerWaalsContact C-N 3.25Å; I140-R142 PolarHBondContact O-N 3.28Å; I140-G143 PolarHBondContact O-N 2.98Å
141Q86.4Confident77.8Confident160 Ų16084.7 Ų84.775%0.74843%0.427SS*.Hα-helixtrans-61.5-33.2174.6-72.7174.829.600112.6E137 E138 G143E137-Q141 WeakPolarHBondContact O-CB 3.15Å; E137-Q141 VanDerWaalsContact O-CG 3.26Å; E137-Q141 WeakPolarHBondContact O-CG 3.36Å; E137-Q141 PolarHBondContact O-N 2.85Å; E138-Q141 PolarHBondContact O-N 3.17Å; Q141-G143 PolarHBondContact O-N 3.11Å
142R85.8Confident76.4Confident188 Ų18888.5 Ų88.571%0.70944%0.442SS*.THydrogen-bonded Turntrans-79.11.5173.5-68.1169.7177.3-154.23.9113.8E138 I139 I140E138-R142 WeakPolarHBondContact O-CB 3.46Å; E138-R142 WeakPolarHBondContact O-CD 3.37Å; E138-R142 WeakPolarHBondContact O-CG 3.44Å; E138-R142 PolarHBondContact O-N 3.02Å; E138-R142 IonicContact OE1-CZ 3.25Å; E138-R142 VanDerWaalsContact OE1-CZ 3.24Å; E138-R142 IonicContact OE1-NE 2.66Å; E138-R142 PolarHBondContact OE1-NE 3.28Å; E138-R142 IonicContact OE1-NH2 2.85Å; E138-R142 PolarHBondContact OE1-NH2 2.73Å; I139-R142 CarbonylContact O-C 3.49Å; I139-R142 PolarHBondContact O-N 3.3Å; I140-R142 VanDerWaalsContact C-N 3.25Å; I140-R142 PolarHBondContact O-N 3.28Å
143G78.3Confident75.2Confident69 Ų6994.6 Ų94.671%0.71147%0.472SS*.THydrogen-bonded Turntrans79.713.9179.400000115.2I139 I140 Q141I139-G143 PolarHBondContact O-N 3.26Å; I140-G143 PolarHBondContact O-N 2.98Å; Q141-G143 PolarHBondContact O-N 3.11Å
144G76.4Confident74.2Confident18 Ų1899.3 Ų99.319%0.18648%0.484CS..  trans-76.1146.717500000112.5I139I139-G144 WeakPolarHBondContact O-CA 3.32Å; I139-G144 PolarHBondContact O-N 3.47Å
145F76.9Confident73.7Confident145 Ų14596.1 Ų96.164%0.63647%0.474SS*.  trans-92.9122.1177.7-176.7-92.9000110.6G278F145-G278 PolarHBondContact N-O 2.94Å; F145-G278 CarbonylContact O-C 3.58Å
146L75.3Confident73.6Confident18 Ų1897.5 Ų97.59%0.09448%0.481CS..  trans-119.4146.3171.1-69.9175.6000109.7R136 I139 L265 C266R136-L146 HydrophobicContact CB-CD1 3.99Å; R136-L146 HydrophobicContact CG-CD1 3.89Å; I139-L146 HydrophobicContact CB-CD1 3.92Å; I139-L146 HydrophobicContact CB-CG 4.49Å; I139-L146 HydrophobicContact CD1-CD1 4.07Å; I139-L146 HydrophobicContact CG2-CD1 3.79Å; I139-L146 HydrophobicContact CG2-CD2 4.3Å; I139-L146 HydrophobicContact CG2-CG 3.79Å; L146-L265 HydrophobicContact CD2-CB 4.12Å; L146-C266 HydrophobicContact CD2-CB 3.95Å
147P72.1Confident73.7Confident48 Ų4897.2 Ų97.231%0.31249%0.485SS..  trans-60.9145.2173.627.2-34.2000110.8R136R136-P147 PolarHBondContact NH2-O 3.32Å
148S65.1Low73.9Confident108 Ų10891.7 Ų91.776%0.75546%0.46SS*.  trans-51.8138.5166.9500000110.3E150S148-E150 PolarHBondContact O-N 3.3Å; S148-E150 VanDerWaalsContact O-N 3.12Å
149E62.9Low74.1Confident90 Ų9088.5 Ų88.542%0.42145%0.445SS..  trans-70107.4174.3-163.1103-68.300109.4K132 R136 I151K132-E149 IonicContact NZ-OE1 2.71Å; K132-E149 PolarHBondContact NZ-OE1 3.1Å; K132-E149 IonicContact NZ-OE2 3.53Å; K132-E149 PolarHBondContact NZ-OE2 3.33Å; R136-E149 IonicContact CZ-OE1 2.94Å; R136-E149 IonicContact CZ-OE2 3.33Å; R136-E149 IonicContact NH1-OE1 2.74Å; R136-E149 PolarHBondContact NH1-OE1 3.43Å; R136-E149 IonicContact NH1-OE2 2.8Å; R136-E149 PolarHBondContact NH1-OE2 2.92Å; R136-E149 IonicContact NH2-OE1 3.71Å; R136-E149 PolarHBondContact NH2-OE1 3.16Å; E149-I151 PolarHBondContact O-N 3.32Å
150E55.9Low74.5Confident132 Ų13288.2 Ų88.262%0.61744%0.444SS*.  trans-61.9115.7158.7-66.8179149.800107.2S148 K152S148-E150 PolarHBondContact O-N 3.3Å; S148-E150 VanDerWaalsContact O-N 3.12Å; E150-K152 HydrophobicContact CB-CG 4.32Å; E150-K152 PolarHBondContact O-N 2.89Å; E150-K152 WeakPolarHBondContact OE2-CE 3.44Å; E150-K152 IonicContact OE2-NZ 3.25Å; E150-K152 PolarHBondContact OE2-NZ 2.98Å
151I52.6Low74.9Confident167 Ų16783.7 Ų83.786%0.85642%0.421SS*.  trans-71.184.9174.3-54.8176000107.5E149E149-I151 PolarHBondContact O-N 3.32Å
152K54.6Low75.4Confident122 Ų12276.2 Ų76.253%0.5339%0.386SS..  trans-86.5130168.3-67.4178.9-177.9166.30107.7E150 R154E150-K152 HydrophobicContact CB-CG 4.32Å; E150-K152 PolarHBondContact O-N 2.89Å; E150-K152 WeakPolarHBondContact OE2-CE 3.44Å; E150-K152 IonicContact OE2-NZ 3.25Å; E150-K152 PolarHBondContact OE2-NZ 2.98Å; K152-R154 PolarHBondContact O-N 3.36Å
153E55.2Low75.8Confident181 Ų18167.7 Ų67.785%0.84636%0.356SS*.  trans-58.8124.8171.4-65.2-171.8137.100108.5F155E153-F155 PolarHBondContact O-N 3.48Å; E153-F155 VanDerWaalsContact O-N 3.1Å
154R64.6Low76.6Confident167 Ų16764.4 Ų64.463%0.6332%0.323SS*.  trans-77.7102.7-175.3179.1-174.7177.7158.52.3108.4G125 T129 K152 D156G125-R154 PolarHBondContact O-NH1 3.5Å; G125-R154 PolarHBondContact O-NH2 2.87Å; T129-R154 PolarHBondContact OG1-NH1 2.85Å; K152-R154 PolarHBondContact O-N 3.36Å; R154-D156 PolarHBondContact O-N 3.23Å
155F77.6Confident77.5Confident53 Ų5368.9 Ų68.923%0.23234%0.339CS..  trans-55.5108.8169.4-176.6-98.5000110.5T63 M77 E153 S157 C159 I160 F166T63-F155 VanDerWaalsContact CB-CE1 3.4Å; T63-F155 HydrophobicContact CG2-CD1 4.48Å; T63-F155 HydrophobicContact CG2-CE1 3.65Å; T63-F155 HydrophobicContact CG2-CE2 4.2Å; T63-F155 HydrophobicContact CG2-CZ 3.47Å; T63-F155 VanDerWaalsContact CG2-CZ 3.47Å; M77-F155 HydrophobicContact CE-CB 4.07Å; M77-F155 HydrophobicContact CE-CD2 3.55Å; M77-F155 HydrophobicContact CE-CE2 4.15Å; M77-F155 HydrophobicContact CE-CG 3.88Å; M77-F155 HydrophobicContact SD-CD2 3.62Å; M77-F155 HydrophobicContact SD-CE2 3.57Å; M77-F155 VanDerWaalsContact SD-CE2 3.57Å; M77-F155 HydrophobicContact SD-CG 4.34Å; M77-F155 HydrophobicContact SD-CZ 4.25Å; E153-F155 PolarHBondContact O-N 3.48Å; E153-F155 VanDerWaalsContact O-N 3.1Å; F155-S157 PolarHBondContact O-N 3.22Å; F155-C159 WeakPolarHBondContact CE2-SG 3.43Å; F155-C159 WeakPolarHBondContact CZ-SG 3.41Å; F155-I160 HydrophobicContact CE1-CD1 3.89Å; F155-I160 HydrophobicContact CE1-CG1 4.33Å; F155-I160 HydrophobicContact CZ-CD1 4.05Å; F155-I160 HydrophobicContact CZ-CG1 4.06Å; F155-F166 HydrophobicContact CE2-CD2 4.25Å; F155-F166 AromaticContact CE2-CE2 3.94Å; F155-F166 HydrophobicContact CE2-CE2 3.94Å; F155-F166 HydrophobicContact CE2-CZ 4.39Å; F155-F166 HydrophobicContact CZ-CE2 4.22Å; F155-F166 HydrophobicContact CZ-CZ 4.2Å
156D81.4Confident78.3Confident47 Ų4762.2 Ų62.225%0.25131%0.309SS..  trans-81.5104.8171.6179.75.9000108.9R154 N158 C159 S616 F619R154-D156 PolarHBondContact O-N 3.23Å; D156-N158 PolarHBondContact O-N 3.37Å; D156-N158 VanDerWaalsContact OD1-CB 3.23Å; D156-N158 WeakPolarHBondContact OD1-CB 3.47Å; D156-N158 PolarHBondContact OD1-N 3.4Å; D156-N158 PolarHBondContact OD1-ND2 3.43Å; D156-C159 WeakPolarHBondContact O-CB 3.49Å; D156-C159 PolarHBondContact O-N 3.35Å; D156-C159 PolarHBondContact O-SG 3.2Å; D156-S616 PolarHBondContact OD2-OG 3.37Å; D156-F619 HydrophobicContact CB-CE2 4.14Å; D156-F619 HydrophobicContact CB-CZ 4.07Å
157S85.4Confident79.2Confident33 Ų3361.5 Ų61.523%0.23131%0.306CS..G310 helixtrans-55.4-8.1176.369.70000115.3R118 F155 C159 I160R118-S157 PolarHBondContact NH1-O 3.34Å; F155-S157 PolarHBondContact O-N 3.22Å; S157-C159 VanDerWaalsContact C-N 3.29Å; S157-I160 PolarHBondContact O-N 2.9Å
158N89.7Confident80.3Confident1 Ų160.8 Ų60.81%0.00530%0.299CS..G310 helixtrans-69.4-24.5170-62.3-16.2000112.7R118 D156 I160 T161 F612 S616R118-N158 VanDerWaalsContact CD-CG 3.47Å; R118-N158 WeakPolarHBondContact CD-OD1 3.33Å; R118-N158 PolarHBondContact NH1-OD1 2.93Å; D156-N158 PolarHBondContact O-N 3.37Å; D156-N158 VanDerWaalsContact OD1-CB 3.23Å; D156-N158 WeakPolarHBondContact OD1-CB 3.47Å; D156-N158 PolarHBondContact OD1-N 3.4Å; D156-N158 PolarHBondContact OD1-ND2 3.43Å; N158-I160 PolarHBondContact O-N 3.3Å; N158-I160 VanDerWaalsContact O-N 3.09Å; N158-T161 WeakPolarHBondContact O-CB 3.28Å; N158-T161 PolarHBondContact O-OG1 3.36Å; N158-F612 HydrophobicContact CB-CD1 4.47Å; N158-F612 HydrophobicContact CB-CE1 3.94Å; N158-F612 HydrophobicContact CB-CZ 4.25Å; N158-F612 WeakPolarHBondContact O-CE1 3.28Å; N158-F612 WeakPolarHBondContact O-CZ 3.11Å; N158-S616 PolarHBondContact ND2-OG 3.18Å
159C90.9Very high81.7Confident4 Ų458.8 Ų58.83%0.02728%0.28CS..G310 helixtrans-57.6-23.7172.869.10000113.6F155 D156 S157 T161 T164 F166 F619F155-C159 WeakPolarHBondContact CE2-SG 3.43Å; F155-C159 WeakPolarHBondContact CZ-SG 3.41Å; D156-C159 WeakPolarHBondContact O-CB 3.49Å; D156-C159 PolarHBondContact O-N 3.35Å; D156-C159 PolarHBondContact O-SG 3.2Å; S157-C159 VanDerWaalsContact C-N 3.29Å; C159-T161 PolarHBondContact O-N 3.01Å; C159-T164 WeakPolarHBondContact O-CG2 3.49Å; C159-T164 PolarHBondContact O-OG1 3.17Å; C159-F166 HydrophobicContact CB-CB 4.12Å; C159-F166 HydrophobicContact CB-CG 4.42Å; C159-F619 HydrophobicContact CB-CD1 4.25Å; C159-F619 HydrophobicContact CB-CE1 3.71Å; C159-F619 HydrophobicContact CB-CE2 4.07Å; C159-F619 HydrophobicContact CB-CZ 3.61Å
160I92.9Very high83.2Confident2 Ų254.5 Ų54.51%0.0126%0.26CS..SBendtrans-75.863.7174.4-49.3165.3000109I59 H60 T63 R118 F155 S157 N158 F166 M167I59-I160 HydrophobicContact CG2-CD1 3.78Å; I59-I160 HydrophobicContact CG2-CG1 3.95Å; I59-I160 HydrophobicContact CG2-CG2 3.98Å; H60-I160 VanDerWaalsContact ND1-CD1 3.27Å; H60-I160 WeakPolarHBondContact ND1-CD1 3.31Å; T63-I160 HydrophobicContact CG2-CD1 4.41Å; R118-I160 PolarHBondContact NH2-O 3.29Å; F155-I160 HydrophobicContact CE1-CD1 3.89Å; F155-I160 HydrophobicContact CE1-CG1 4.33Å; F155-I160 HydrophobicContact CZ-CD1 4.05Å; F155-I160 HydrophobicContact CZ-CG1 4.06Å; S157-I160 PolarHBondContact O-N 2.9Å; N158-I160 PolarHBondContact O-N 3.3Å; N158-I160 VanDerWaalsContact O-N 3.09Å; I160-F166 HydrophobicContact CG1-CD1 4.42Å; I160-F166 HydrophobicContact CG1-CE1 3.95Å; I160-M167 HydrophobicContact CG2-CE 3.87Å; I160-M167 HydrophobicContact CG2-SD 4.37Å
161T93.7Very high85.1Confident5 Ų548.5 Ų48.53%0.03123%0.233CC..SBendtrans-150.5140.5180-50.70000108.5R118 N158 C159 T164 M167 L608 V611 F612R118-T161 PolarHBondContact NH2-OG1 2.67Å; N158-T161 WeakPolarHBondContact O-CB 3.28Å; N158-T161 PolarHBondContact O-OG1 3.36Å; C159-T161 PolarHBondContact O-N 3.01Å; T161-T164 WeakPolarHBondContact O-CG2 3.34Å; T161-T164 PolarHBondContact O-OG1 3.23Å; T161-T164 VanDerWaalsContact O-OG1 3.07Å; T161-M167 WeakPolarHBondContact O-CG 3.32Å; T161-L608 HydrophobicContact CG2-CD2 3.56Å; T161-V611 HydrophobicContact CG2-CG2 4.09Å; T161-F612 HydrophobicContact CG2-CE1 4.14Å; T161-F612 HydrophobicContact CG2-CZ 4.43Å; T161-F612 WeakPolarHBondContact OG1-CE1 3.34Å
162P95.8Very high87.1Confident3 Ų344.3 Ų44.32%0.01921%0.21CC..THydrogen-bonded Turntrans-50.4139.9-179.7-30.632.3000116.1D103 G104 V105 A198 P604 L608D103-P162 WeakPolarHBondContact O-CG 3.37Å; G104-P162 WeakPolarHBondContact O-CG 3.42Å; V105-P162 HydrophobicContact CG2-CB 4.34Å; P162-A198 HydrophobicContact CB-CB 4.27Å; P162-A198 HydrophobicContact CG-CB 4.31Å; P162-P604 HydrophobicContact CB-CB 4.39Å; P162-L608 VanDerWaalsContact O-CD2 3.23Å; P162-L608 WeakPolarHBondContact O-CD2 3.33Å; P162-L608 WeakPolarHBondContact O-CG 3.48Å
163G94.3Very high89.1Confident8 Ų838.8 Ų38.88%0.08219%0.187CC..THydrogen-bonded Turntrans93-11.8175.700000115.1R686G163-R686 PolarHBondContact O-NH1 3.5Å; G163-R686 VanDerWaalsContact O-NH1 3.1Å
164T95.5Very high91.2Very high1 Ų130.2 Ų30.21%0.00615%0.147CC..SBendtrans-72.8155.2172.1650000111.4C159 T161 F166 M167 D168 L608 F612 F619C159-T164 WeakPolarHBondContact O-CG2 3.49Å; C159-T164 PolarHBondContact O-OG1 3.17Å; T161-T164 WeakPolarHBondContact O-CG2 3.34Å; T161-T164 PolarHBondContact O-OG1 3.23Å; T161-T164 VanDerWaalsContact O-OG1 3.07Å; T164-F166 VanDerWaalsContact C-N 3.3Å; T164-F166 PolarHBondContact O-N 2.89Å; T164-M167 PolarHBondContact O-N 3.12Å; T164-M167 WeakPolarHBondContact OG1-CG 3.22Å; T164-M167 PolarHBondContact OG1-N 3.07Å; T164-D168 PolarHBondContact O-N 3.11Å; T164-L608 HydrophobicContact CG2-CD1 4.08Å; T164-L608 HydrophobicContact CG2-CD2 3.97Å; T164-F612 HydrophobicContact CG2-CZ 4.33Å; T164-F619 HydrophobicContact CG2-CB 3.98Å; T164-F619 HydrophobicContact CG2-CG 4.4Å
165E94.3Very high92.7Very high111 Ų11123.8 Ų23.852%0.51912%0.122SC..Hα-helixtrans-61.5-38.9176.2-74.7150-150.400111.8M167 D168 N169 R686E165-M167 VanDerWaalsContact C-N 3.29Å; E165-M167 PolarHBondContact O-N 3.42Å; E165-D168 PolarHBondContact O-N 3.37Å; E165-D168 VanDerWaalsContact O-N 3.16Å; E165-N169 WeakPolarHBondContact O-CB 3.48Å; E165-N169 VanDerWaalsContact O-CG 3.24Å; E165-N169 PolarHBondContact O-N 3.27Å; E165-R686 VanDerWaalsContact CG-CZ 3.41Å; E165-R686 IonicContact OE1-CZ 3.42Å; E165-R686 IonicContact OE1-NH1 3.29Å; E165-R686 PolarHBondContact OE1-NH1 3.35Å; E165-R686 IonicContact OE1-NH2 2.73Å; E165-R686 PolarHBondContact OE1-NH2 2.95Å
166F93.8Very high93.7Very high5 Ų522 Ų222%0.02211%0.114CC..Hα-helixtrans-53.4-41.9174177.2-94.5000113.1I59 T63 E74 M78 F155 C159 I160 T164 L170I59-F166 HydrophobicContact CG2-CE1 4.02Å; I59-F166 HydrophobicContact CG2-CZ 4.12Å; T63-F166 HydrophobicContact CG2-CZ 4.42Å; E74-F166 HydrophobicContact CG-CD2 4.35Å; M78-F166 HydrophobicContact CE-CE2 4.15Å; F155-F166 HydrophobicContact CE2-CD2 4.25Å; F155-F166 AromaticContact CE2-CE2 3.94Å; F155-F166 HydrophobicContact CE2-CE2 3.94Å; F155-F166 HydrophobicContact CE2-CZ 4.39Å; F155-F166 HydrophobicContact CZ-CE2 4.22Å; F155-F166 HydrophobicContact CZ-CZ 4.2Å; C159-F166 HydrophobicContact CB-CB 4.12Å; C159-F166 HydrophobicContact CB-CG 4.42Å; I160-F166 HydrophobicContact CG1-CD1 4.42Å; I160-F166 HydrophobicContact CG1-CE1 3.95Å; T164-F166 VanDerWaalsContact C-N 3.3Å; T164-F166 PolarHBondContact O-N 2.89Å; F166-L170 HydrophobicContact CE1-CD2 4.37Å; F166-L170 WeakPolarHBondContact O-CB 3.35Å; F166-L170 PolarHBondContact O-N 2.93Å
167M95.4Very high94.4Very high4 Ų419.8 Ų19.82%0.0210%0.102CC..Hα-helixtrans-75.8-28.3-178.8-68.6-61.1-121.500113.1I102 I160 T161 T164 E165 L170 A171 A198I102-M167 HydrophobicContact CG2-CE 3.47Å; I102-M167 VanDerWaalsContact CG2-CE 3.47Å; I102-M167 HydrophobicContact CG2-SD 4.2Å; I160-M167 HydrophobicContact CG2-CE 3.87Å; I160-M167 HydrophobicContact CG2-SD 4.37Å; T161-M167 WeakPolarHBondContact O-CG 3.32Å; T164-M167 PolarHBondContact O-N 3.12Å; T164-M167 WeakPolarHBondContact OG1-CG 3.22Å; T164-M167 PolarHBondContact OG1-N 3.07Å; E165-M167 VanDerWaalsContact C-N 3.29Å; E165-M167 PolarHBondContact O-N 3.42Å; M167-L170 HydrophobicContact SD-CD2 4.02Å; M167-A171 PolarHBondContact O-N 2.76Å; M167-A171 VanDerWaalsContact O-N 3.07Å; M167-A198 HydrophobicContact CB-CB 4.03Å; M167-A198 HydrophobicContact CE-CB 4.48Å; M167-A198 HydrophobicContact CG-CB 4.44Å
168D94.2Very high95Very high33 Ų3318.2 Ų18.218%0.1769%0.091CC..Hα-helixtrans-73.6-47172.9-166.8-7.6000110.5T164 E165 L170 A171 Q172 R685 R686T164-D168 PolarHBondContact O-N 3.11Å; E165-D168 PolarHBondContact O-N 3.37Å; E165-D168 VanDerWaalsContact O-N 3.16Å; D168-L170 VanDerWaalsContact C-N 3.29Å; D168-L170 PolarHBondContact O-N 2.99Å; D168-A171 WeakPolarHBondContact O-CB 3.33Å; D168-A171 PolarHBondContact O-N 3.04Å; D168-A171 VanDerWaalsContact O-N 3.09Å; D168-Q172 WeakPolarHBondContact O-CG 3.5Å; D168-Q172 PolarHBondContact O-N 3.39Å; D168-Q172 PolarHBondContact OD1-NE2 3.34Å; D168-R685 IonicContact OD2-CZ 2.76Å; D168-R685 IonicContact OD2-NE 3.35Å; D168-R685 IonicContact OD2-NH2 3.43Å; D168-R685 PolarHBondContact OD2-NH2 2.99Å; D168-R686 HydrophobicContact CB-CG 4.24Å; D168-R686 VanDerWaalsContact OD2-CG 3.22Å; D168-R686 WeakPolarHBondContact OD2-CG 3.21Å
169N94.5Very high95.4Very high65 Ų6518.2 Ų18.235%0.3489%0.091SC..Hα-helixtrans-54-45.8171.2-69.2-8.5000111.3E74 M78 E165 Q172 C173E74-N169 PolarHBondContact OE2-ND2 3.35Å; M78-N169 HydrophobicContact CE-CB 4.36Å; E165-N169 WeakPolarHBondContact O-CB 3.48Å; E165-N169 VanDerWaalsContact O-CG 3.24Å; E165-N169 PolarHBondContact O-N 3.27Å; N169-Q172 PolarHBondContact O-N 3.05Å; N169-C173 VanDerWaalsContact O-CB 3.31Å; N169-C173 WeakPolarHBondContact O-CB 3.5Å; N169-C173 PolarHBondContact O-N 3Å; N169-C173 PolarHBondContact O-SG 3.35Å
170L95.6Very high95.6Very high0 Ų019.9 Ų19.90%010%0.099CC..Hα-helixtrans-61.5-43176.3176.462.7000112.1I59 M78 I81 I102 F166 M167 D168 C173 L174I59-L170 HydrophobicContact CD1-CD2 3.47Å; I59-L170 VanDerWaalsContact CD1-CD2 3.47Å; I59-L170 HydrophobicContact CG1-CD2 3.95Å; M78-L170 HydrophobicContact CE-CB 4Å; M78-L170 HydrophobicContact CE-CD1 4.34Å; M78-L170 HydrophobicContact SD-CB 4.32Å; M78-L170 HydrophobicContact SD-CD1 3.57Å; M78-L170 VanDerWaalsContact SD-CD1 3.57Å; I81-L170 HydrophobicContact CD1-CD1 4.01Å; I102-L170 HydrophobicContact CD1-CD2 4.08Å; I102-L170 HydrophobicContact CD1-CG 4.27Å; F166-L170 HydrophobicContact CE1-CD2 4.37Å; F166-L170 WeakPolarHBondContact O-CB 3.35Å; F166-L170 PolarHBondContact O-N 2.93Å; M167-L170 HydrophobicContact SD-CD2 4.02Å; D168-L170 VanDerWaalsContact C-N 3.29Å; D168-L170 PolarHBondContact O-N 2.99Å; L170-C173 PolarHBondContact O-N 3.45Å; L170-L174 HydrophobicContact CD1-CD1 3.87Å; L170-L174 HydrophobicContact CD1-CG 4.11Å; L170-L174 HydrophobicContact CG-CD1 3.91Å; L170-L174 WeakPolarHBondContact O-CB 3.47Å; L170-L174 VanDerWaalsContact O-CG 3.27Å; L170-L174 WeakPolarHBondContact O-CG 3.43Å; L170-L174 PolarHBondContact O-N 3.19Å
171A95.6Very high95.8Very high6 Ų622 Ų225%0.0511%0.107CC..Hα-helixtrans-60.3-49.3176.600000110.8M167 D168 C173 L174 R175 D197M167-A171 PolarHBondContact O-N 2.76Å; M167-A171 VanDerWaalsContact O-N 3.07Å; D168-A171 WeakPolarHBondContact O-CB 3.33Å; D168-A171 PolarHBondContact O-N 3.04Å; D168-A171 VanDerWaalsContact O-N 3.09Å; A171-C173 PolarHBondContact O-N 2.97Å; A171-L174 PolarHBondContact O-N 3.16Å; A171-L174 VanDerWaalsContact O-N 3.11Å; A171-R175 WeakPolarHBondContact O-CG 3.14Å; A171-R175 PolarHBondContact O-N 2.96Å; A171-D197 HydrophobicContact CB-CB 3.88Å
172Q95.1Very high95.9Very high79 Ų7922.1 Ų22.137%0.36911%0.107SC..Hα-helixtrans-60-43.1177.1-64.3170.740.600112.1D168 N169 L174 R175 Y176D168-Q172 WeakPolarHBondContact O-CG 3.5Å; D168-Q172 PolarHBondContact O-N 3.39Å; D168-Q172 PolarHBondContact OD1-NE2 3.34Å; N169-Q172 PolarHBondContact O-N 3.05Å; Q172-L174 VanDerWaalsContact C-N 3.31Å; Q172-L174 PolarHBondContact O-N 3.28Å; Q172-R175 PolarHBondContact O-N 3.36Å; Q172-Y176 PolarHBondContact O-N 3.34Å; Q172-Y176 VanDerWaalsContact O-N 3.11Å
173C96.7Very high95.8Very high7 Ų723.2 Ų23.25%0.04711%0.114CC..Hα-helixtrans-58.8-39.5173.7-72.80000112.6M78 F82 N169 L170 A171 Y177 P748M78-C173 HydrophobicContact CG-CB 4.29Å; M78-C173 HydrophobicContact SD-CB 4.05Å; F82-C173 HydrophobicContact CE1-CB 4.43Å; F82-C173 HydrophobicContact CZ-CB 3.96Å; F82-C173 WeakPolarHBondContact CZ-O 3.42Å; N169-C173 VanDerWaalsContact O-CB 3.31Å; N169-C173 WeakPolarHBondContact O-CB 3.5Å; N169-C173 PolarHBondContact O-N 3Å; N169-C173 PolarHBondContact O-SG 3.35Å; L170-C173 PolarHBondContact O-N 3.45Å; A171-C173 PolarHBondContact O-N 2.97Å; C173-Y177 WeakPolarHBondContact O-CB 3.47Å; C173-Y177 PolarHBondContact O-N 2.89Å; C173-P748 HydrophobicContact CB-CG 4.4Å
174L97.6Very high95.7Very high0 Ų027.8 Ų27.80%014%0.137CC..Hα-helixtrans-74.1-36.9177.8-70.4167.8000112.8M55 F82 I85 M100 I102 L170 A171 Q172 Y176 Y177 V178 L195M55-L174 HydrophobicContact CE-CD1 4.2Å; M55-L174 HydrophobicContact CE-CD2 4.25Å; F82-L174 HydrophobicContact CD1-CD2 4.43Å; F82-L174 HydrophobicContact CE1-CD2 4.08Å; I85-L174 HydrophobicContact CD1-CD2 3.85Å; M100-L174 HydrophobicContact CE-CD2 3.81Å; I102-L174 HydrophobicContact CD1-CD1 3.84Å; L170-L174 HydrophobicContact CD1-CD1 3.87Å; L170-L174 HydrophobicContact CD1-CG 4.11Å; L170-L174 HydrophobicContact CG-CD1 3.91Å; L170-L174 WeakPolarHBondContact O-CB 3.47Å; L170-L174 VanDerWaalsContact O-CG 3.27Å; L170-L174 WeakPolarHBondContact O-CG 3.43Å; L170-L174 PolarHBondContact O-N 3.19Å; A171-L174 PolarHBondContact O-N 3.16Å; A171-L174 VanDerWaalsContact O-N 3.11Å; Q172-L174 VanDerWaalsContact C-N 3.31Å; Q172-L174 PolarHBondContact O-N 3.28Å; L174-Y176 VanDerWaalsContact C-N 3.31Å; L174-Y176 PolarHBondContact O-N 3.42Å; L174-Y177 HydrophobicContact CD2-CD1 4.43Å; L174-Y177 PolarHBondContact O-N 3.18Å; L174-V178 WeakPolarHBondContact O-CG2 3.44Å; L174-V178 PolarHBondContact O-N 3.16Å; L174-L195 HydrophobicContact CB-CD1 4.16Å; L174-L195 HydrophobicContact CB-CD2 4.03Å; L174-L195 HydrophobicContact CD1-CD1 4.16Å
175R97.4Very high95.6Very high32 Ų3229.7 Ų29.712%0.12115%0.147CC..Hα-helixtrans-57.8-45.1172.1-62.4173.185.9-128.58.3110.5A171 Q172 A179 L195 F695 D735 D737 I739A171-R175 WeakPolarHBondContact O-CG 3.14Å; A171-R175 PolarHBondContact O-N 2.96Å; Q172-R175 PolarHBondContact O-N 3.36Å; R175-A179 PolarHBondContact O-N 3.07Å; R175-L195 HydrophobicContact CG-CD2 3.78Å; R175-F695 HydrophobicContact CB-CE1 4.4Å; R175-F695 HydrophobicContact CB-CZ 4.05Å; R175-F695 HydrophobicContact CG-CZ 3.94Å; R175-D735 IonicContact CZ-OD2 2.67Å; R175-D735 IonicContact NH2-OD1 3.75Å; R175-D735 IonicContact NH2-OD2 3.32Å; R175-D735 PolarHBondContact NH2-OD2 2.6Å; R175-D737 IonicContact CZ-OD2 3.24Å; R175-D737 IonicContact NH1-OD2 2.62Å; R175-D737 PolarHBondContact NH1-OD2 3.37Å; R175-D737 PolarHBondContact NH2-O 3.32Å; R175-D737 IonicContact NH2-OD2 2.62Å; R175-I739 HydrophobicContact CB-CD1 4.33Å
176Y97.1Very high95.5Very high16 Ų1628.9 Ų28.96%0.06315%0.151CC..Hα-helixtrans-62.2-49.4173162.8-89.4000112.7Q172 L174 V178 A179 E180 V745 K746 P748 L752 R753 I755Q172-Y176 PolarHBondContact O-N 3.34Å; Q172-Y176 VanDerWaalsContact O-N 3.11Å; L174-Y176 VanDerWaalsContact C-N 3.31Å; L174-Y176 PolarHBondContact O-N 3.42Å; Y176-V178 VanDerWaalsContact C-N 3.34Å; Y176-V178 PolarHBondContact O-N 3.48Å; Y176-A179 PolarHBondContact O-N 2.78Å; Y176-E180 PolarHBondContact O-N 2.73Å; Y176-V745 HydrophobicContact CD2-CG1 4.24Å; Y176-K746 WeakPolarHBondContact CD2-O 3.3Å; Y176-P748 HydrophobicContact CG-CG 4.33Å; Y176-L752 HydrophobicContact CE1-CB 4.45Å; Y176-L752 HydrophobicContact CE1-CD1 3.9Å; Y176-R753 PolarHBondContact OH-O 3.17Å; Y176-I755 HydrophobicContact CD2-CD1 4.2Å; Y176-I755 HydrophobicContact CD2-CG1 4.39Å; Y176-I755 HydrophobicContact CE2-CD1 4.07Å; Y176-I755 HydrophobicContact CE2-CG1 3.83Å
177Y97.4Very high95.5Very high1 Ų129.3 Ų29.30%0.00416%0.157CC..Hα-helixtrans-59.4-42.7-178.6163.1-96000112.4F82 I85 D86 C173 L174 E180 R181 W188F82-Y177 HydrophobicContact CB-CD2 3.69Å; F82-Y177 HydrophobicContact CB-CE2 3.71Å; F82-Y177 HydrophobicContact CD1-CD1 4.33Å; F82-Y177 AromaticContact CD1-CD2 3.56Å; F82-Y177 HydrophobicContact CD1-CD2 3.56Å; F82-Y177 HydrophobicContact CD1-CE2 4.21Å; F82-Y177 AromaticContact CD1-CG 3.64Å; F82-Y177 HydrophobicContact CD1-CG 3.64Å; F82-Y177 HydrophobicContact CD2-CD2 4.02Å; F82-Y177 HydrophobicContact CE1-CD2 4.18Å; F82-Y177 AromaticContact CE1-CG 3.89Å; F82-Y177 HydrophobicContact CE1-CG 3.89Å; F82-Y177 AromaticContact CG-CD2 3.47Å; F82-Y177 HydrophobicContact CG-CD2 3.47Å; F82-Y177 VanDerWaalsContact CG-CD2 3.47Å; F82-Y177 HydrophobicContact CG-CE2 4.03Å; F82-Y177 HydrophobicContact CG-CG 4.05Å; F82-Y177 HydrophobicContact CZ-CG 4.45Å; I85-Y177 HydrophobicContact CB-CE1 4.21Å; I85-Y177 WeakPolarHBondContact CB-OH 3.26Å; I85-Y177 HydrophobicContact CD1-CD1 4.32Å; I85-Y177 HydrophobicContact CD1-CE1 3.86Å; I85-Y177 HydrophobicContact CG2-CE1 3.82Å; I85-Y177 VanDerWaalsContact CG2-OH 3.24Å; I85-Y177 WeakPolarHBondContact CG2-OH 3.41Å; D86-Y177 WeakPolarHBondContact OD1-CE2 3.13Å; D86-Y177 PolarHBondContact OD1-OH 3.49Å; C173-Y177 WeakPolarHBondContact O-CB 3.47Å; C173-Y177 PolarHBondContact O-N 2.89Å; L174-Y177 HydrophobicContact CD2-CD1 4.43Å; L174-Y177 PolarHBondContact O-N 3.18Å; Y177-E180 PolarHBondContact O-N 2.85Å; Y177-R181 HydrophobicContact CD2-CG 4.15Å; Y177-R181 HydrophobicContact CE1-CG 4.37Å; Y177-R181 HydrophobicContact CE2-CG 3.75Å; Y177-R181 WeakPolarHBondContact O-CG 3.37Å; Y177-R181 PolarHBondContact O-N 3.47Å; Y177-W188 AromaticContact CE1-CH2 3.72Å; Y177-W188 HydrophobicContact CE1-CH2 3.72Å; Y177-W188 HydrophobicContact CE1-CZ2 4.29Å; Y177-W188 WeakPolarHBondContact OH-CZ2 3.36Å
178V97.8Very high95.5Very high0 Ų029.1 Ų29.10%016%0.157CC..Hα-helixtrans-65.4-41.1177.5171.60000111.3M100 L174 Y176 E180 R181 L182 W188 V193 F695M100-V178 HydrophobicContact SD-CG2 4.11Å; L174-V178 WeakPolarHBondContact O-CG2 3.44Å; L174-V178 PolarHBondContact O-N 3.16Å; Y176-V178 VanDerWaalsContact C-N 3.34Å; Y176-V178 PolarHBondContact O-N 3.48Å; V178-E180 VanDerWaalsContact C-N 3.35Å; V178-E180 PolarHBondContact O-N 3.37Å; V178-R181 PolarHBondContact O-N 3.45Å; V178-L182 HydrophobicContact CG1-CD1 3.68Å; V178-L182 HydrophobicContact CG1-CG 4.32Å; V178-L182 VanDerWaalsContact O-CB 3.3Å; V178-L182 WeakPolarHBondContact O-CB 3.31Å; V178-L182 VanDerWaalsContact O-CG 3.29Å; V178-L182 WeakPolarHBondContact O-CG 3.43Å; V178-L182 PolarHBondContact O-N 2.74Å; V178-W188 HydrophobicContact CG2-CZ3 4.48Å; V178-V193 HydrophobicContact CB-CG1 4.47Å; V178-V193 HydrophobicContact CG1-CB 3.81Å; V178-V193 HydrophobicContact CG1-CG1 3.67Å; V178-V193 HydrophobicContact CG1-CG2 4.19Å; V178-V193 HydrophobicContact CG2-CG1 3.86Å; V178-F695 HydrophobicContact CB-CG 4.45Å; V178-F695 HydrophobicContact CG1-CB 3.56Å; V178-F695 HydrophobicContact CG1-CD1 3.97Å; V178-F695 HydrophobicContact CG1-CD2 3.92Å; V178-F695 HydrophobicContact CG1-CG 3.55Å
179A97Very high95.4Very high0 Ų032.4 Ų32.40%017%0.169CC..Hα-helixtrans-65.2-36.317600000113.1R175 Y176 S183 I739 I755 A760R175-A179 PolarHBondContact O-N 3.07Å; Y176-A179 PolarHBondContact O-N 2.78Å; A179-S183 WeakPolarHBondContact O-CB 3.31Å; A179-S183 PolarHBondContact O-N 3.06Å; A179-S183 PolarHBondContact O-OG 3.19Å; A179-I739 HydrophobicContact CB-CD1 3.87Å; A179-I739 HydrophobicContact CB-CG2 4Å; A179-I755 HydrophobicContact CB-CD1 4.03Å; A179-A760 HydrophobicContact CB-CB 4.14Å
180E95.9Very high95.3Very high40 Ų4033.6 Ų33.619%0.18718%0.175CC..Hα-helixtrans-63.9-54174.4-161.4-75.2166.800110.5Y176 Y177 V178 L182 S183 N184 I755Y176-E180 PolarHBondContact O-N 2.73Å; Y177-E180 PolarHBondContact O-N 2.85Å; V178-E180 VanDerWaalsContact C-N 3.35Å; V178-E180 PolarHBondContact O-N 3.37Å; E180-L182 PolarHBondContact O-N 2.89Å; E180-S183 PolarHBondContact O-N 3.46Å; E180-N184 WeakPolarHBondContact O-CB 3.31Å; E180-N184 PolarHBondContact O-N 3.21Å; E180-N184 PolarHBondContact OE1-ND2 3.42Å; E180-I755 HydrophobicContact CB-CD1 3.77Å; E180-I755 HydrophobicContact CB-CG1 4.36Å; E180-I755 HydrophobicContact CG-CD1 4.32Å; E180-I755 HydrophobicContact CG-CG1 4.37Å
181R96.1Very high95.4Very high47 Ų4733.7 Ų33.718%0.17718%0.176CC..Hα-helixtrans-65.2-40.1-176.3-65.9-65.5-174.8-88.51.1112D86 Y177 V178 S183 N184 D185 W188D86-R181 IonicContact OD1-CZ 3.7Å; D86-R181 IonicContact OD1-NE 3.96Å; D86-R181 PolarHBondContact OD1-NE 2.75Å; D86-R181 IonicContact OD1-NH2 3.33Å; D86-R181 PolarHBondContact OD1-NH2 2.67Å; D86-R181 IonicContact OD2-CZ 3.96Å; D86-R181 IonicContact OD2-NE 3.57Å; D86-R181 IonicContact OD2-NH2 2.64Å; D86-R181 PolarHBondContact OD2-NH2 3.41Å; Y177-R181 HydrophobicContact CD2-CG 4.15Å; Y177-R181 HydrophobicContact CE1-CG 4.37Å; Y177-R181 HydrophobicContact CE2-CG 3.75Å; Y177-R181 WeakPolarHBondContact O-CG 3.37Å; Y177-R181 PolarHBondContact O-N 3.47Å; V178-R181 PolarHBondContact O-N 3.45Å; R181-S183 PolarHBondContact O-N 2.67Å; R181-N184 PolarHBondContact O-N 2.95Å; R181-D185 WeakPolarHBondContact O-CB 3.39Å; R181-D185 PolarHBondContact O-N 2.99Å; R181-W188 HydrophobicContact CB-CD2 3.53Å; R181-W188 HydrophobicContact CB-CE3 3.7Å; R181-W188 HydrophobicContact CB-CG 3.99Å; R181-W188 HydrophobicContact CB-CH2 4.16Å; R181-W188 HydrophobicContact CB-CZ2 4Å; R181-W188 HydrophobicContact CB-CZ3 4.01Å; R181-W188 HydrophobicContact CG-CD2 4.43Å; R181-W188 HydrophobicContact CG-CH2 4.3Å; R181-W188 HydrophobicContact CG-CZ2 4.02Å
182L96.2Very high95.5Very high6 Ų633.5 Ų33.53%0.03117%0.174CC..Hα-helixtrans-64-24173.7-75.7170.7000113.7V178 E180 W188 V193 F695 A760V178-L182 HydrophobicContact CG1-CD1 3.68Å; V178-L182 HydrophobicContact CG1-CG 4.32Å; V178-L182 VanDerWaalsContact O-CB 3.3Å; V178-L182 WeakPolarHBondContact O-CB 3.31Å; V178-L182 VanDerWaalsContact O-CG 3.29Å; V178-L182 WeakPolarHBondContact O-CG 3.43Å; V178-L182 PolarHBondContact O-N 2.74Å; E180-L182 PolarHBondContact O-N 2.89Å; L182-W188 HydrophobicContact CD2-CB 4.2Å; L182-W188 WeakPolarHBondContact CD2-O 3.43Å; L182-W188 HydrophobicContact CG-CE3 4.43Å; L182-V193 HydrophobicContact CD1-CG2 4.37Å; L182-V193 HydrophobicContact CD2-CG2 4.18Å; L182-V193 HydrophobicContact CG-CG2 4.43Å; L182-F695 HydrophobicContact CD1-CB 3.57Å; L182-A760 HydrophobicContact CB-CB 3.92Å; L182-A760 HydrophobicContact CD1-CB 4.07Å
183S94.3Very high95.7Very high26 Ų2629.7 Ų29.718%0.18216%0.157CC..Hα-helixtrans-91.3-33.2178.2-60.40000113.5A179 E180 R181 N758 S759A179-S183 WeakPolarHBondContact O-CB 3.31Å; A179-S183 PolarHBondContact O-N 3.06Å; A179-S183 PolarHBondContact O-OG 3.19Å; E180-S183 PolarHBondContact O-N 3.46Å; R181-S183 PolarHBondContact O-N 2.67Å; S183-N758 PolarHBondContact OG-OD1 3.31Å; S183-S759 WeakPolarHBondContact CA-OG 3.29Å; S183-S759 PolarHBondContact OG-N 2.69Å; S183-S759 PolarHBondContact OG-OG 3.13Å
184N92.3Very high95.7Very high105 Ų10529.4 Ų29.456%0.56116%0.155SC*.Hα-helixtrans-111.6-22.9-169.8-69.1-25.6000115.2E180 R181E180-N184 WeakPolarHBondContact O-CB 3.31Å; E180-N184 PolarHBondContact O-N 3.21Å; E180-N184 PolarHBondContact OE1-ND2 3.42Å; R181-N184 PolarHBondContact O-N 2.95Å
185D93.1Very high95.8Very high41 Ų4129.4 Ų29.422%0.21916%0.155CC..  trans-100.2115.1-178.5-169.1-45.3000112T38 R181 G187 W188 K189T38-D185 PolarHBondContact OG1-OD1 3.34Å; R181-D185 WeakPolarHBondContact O-CB 3.39Å; R181-D185 PolarHBondContact O-N 2.99Å; D185-G187 PolarHBondContact O-N 3.15Å; D185-G187 VanDerWaalsContact O-N 3.12Å; D185-G187 WeakPolarHBondContact OD1-CA 3.49Å; D185-G187 PolarHBondContact OD1-N 2.68Å; D185-W188 HydrophobicContact CB-CB 4.33Å; D185-W188 HydrophobicContact CB-CG 4.15Å; D185-W188 PolarHBondContact O-N 3.4Å; D185-W188 VanDerWaalsContact O-N 3.1Å; D185-K189 PolarHBondContact O-N 2.85Å
186P93.1Very high95.8Very high93 Ų9327.9 Ų27.960%0.60415%0.149SC*.THydrogen-bonded Turntrans-60.3-21.2179.3-25.535.8000115.6T39 K189T39-P186 HydrophobicContact CG2-CB 3.89Å; P186-K189 WeakPolarHBondContact O-CB 3.28Å
187G93.3Very high95.8Very high14 Ų1428.2 Ų28.214%0.14415%0.152CC..THydrogen-bonded Turntrans-79.1-25.9176.200000113.9T38 D185T38-G187 WeakPolarHBondContact OG1-CA 3.21Å; D185-G187 PolarHBondContact O-N 3.15Å; D185-G187 VanDerWaalsContact O-N 3.12Å; D185-G187 WeakPolarHBondContact OD1-CA 3.49Å; D185-G187 PolarHBondContact OD1-N 2.68Å
188W96.1Very high95.8Very high1 Ų128.4 Ų28.40%0.00415%0.154CC..THydrogen-bonded Turntrans-81.5-23.2176.6-73.463.9000112.6F89 L98 Y177 V178 R181 L182 D185 N190 V191 V193F89-W188 AromaticContact CD1-NE1 3.54Å; F89-W188 HydrophobicContact CD2-CD2 4.38Å; F89-W188 AromaticContact CD2-CE2 3.67Å; F89-W188 AromaticContact CD2-CZ2 3.76Å; F89-W188 HydrophobicContact CD2-CZ2 3.76Å; F89-W188 AromaticContact CD2-NE1 3.73Å; F89-W188 AromaticContact CE1-CD1 3.5Å; F89-W188 HydrophobicContact CE1-CG 4.36Å; F89-W188 AromaticContact CE1-NE1 3.47Å; F89-W188 AromaticContact CE2-CD1 3.91Å; F89-W188 AromaticContact CE2-CD2 3.92Å; F89-W188 HydrophobicContact CE2-CD2 3.92Å; F89-W188 AromaticContact CE2-CE2 3.66Å; F89-W188 HydrophobicContact CE2-CG 4.1Å; F89-W188 HydrophobicContact CE2-CZ2 4.15Å; F89-W188 AromaticContact CE2-NE1 3.66Å; F89-W188 HydrophobicContact CG-CZ2 4.14Å; F89-W188 AromaticContact CG-NE1 3.68Å; F89-W188 AromaticContact CZ-CD1 3.42Å; F89-W188 VanDerWaalsContact CZ-CD1 3.42Å; F89-W188 HydrophobicContact CZ-CD2 4.17Å; F89-W188 AromaticContact CZ-CG 3.85Å; F89-W188 HydrophobicContact CZ-CG 3.85Å; F89-W188 AromaticContact CZ-NE1 3.54Å; L98-W188 HydrophobicContact CD2-CE3 4.45Å; L98-W188 HydrophobicContact CD2-CH2 3.33Å; L98-W188 HydrophobicContact CD2-CZ2 4.1Å; L98-W188 HydrophobicContact CD2-CZ3 3.55Å; Y177-W188 AromaticContact CE1-CH2 3.72Å; Y177-W188 HydrophobicContact CE1-CH2 3.72Å; Y177-W188 HydrophobicContact CE1-CZ2 4.29Å; Y177-W188 WeakPolarHBondContact OH-CZ2 3.36Å; V178-W188 HydrophobicContact CG2-CZ3 4.48Å; R181-W188 HydrophobicContact CB-CD2 3.53Å; R181-W188 HydrophobicContact CB-CE3 3.7Å; R181-W188 HydrophobicContact CB-CG 3.99Å; R181-W188 HydrophobicContact CB-CH2 4.16Å; R181-W188 HydrophobicContact CB-CZ2 4Å; R181-W188 HydrophobicContact CB-CZ3 4.01Å; R181-W188 HydrophobicContact CG-CD2 4.43Å; R181-W188 HydrophobicContact CG-CH2 4.3Å; R181-W188 HydrophobicContact CG-CZ2 4.02Å; L182-W188 HydrophobicContact CD2-CB 4.2Å; L182-W188 WeakPolarHBondContact CD2-O 3.43Å; L182-W188 HydrophobicContact CG-CE3 4.43Å; D185-W188 HydrophobicContact CB-CB 4.33Å; D185-W188 HydrophobicContact CB-CG 4.15Å; D185-W188 PolarHBondContact O-N 3.4Å; D185-W188 VanDerWaalsContact O-N 3.1Å; W188-N190 PolarHBondContact O-N 2.99Å; W188-V191 PolarHBondContact O-N 3.28Å; W188-V193 HydrophobicContact CE3-CG2 3.87Å; W188-V193 HydrophobicContact CZ3-CG1 4.37Å; W188-V193 HydrophobicContact CZ3-CG2 3.91Å
189K92Very high95.7Very high101 Ų10130 Ų3044%0.43917%0.165SC..THydrogen-bonded Turntrans-42.6-33.4-173-176.2175.2176.9173.30117.1D185 P186 S699D185-K189 PolarHBondContact O-N 2.85Å; P186-K189 WeakPolarHBondContact O-CB 3.28Å; K189-S699 WeakPolarHBondContact CE-OG 3.3Å
190N92.4Very high95.7Very high90 Ų9030.8 Ų30.848%0.48117%0.17SC..THydrogen-bonded Turntrans-116.411.7-177.9-66.30.1000113.3W188W188-N190 PolarHBondContact O-N 2.99Å
191V96.6Very high95.8Very high3 Ų330.7 Ų30.72%0.01817%0.172CC..  trans-95.2131.7-179.3-178.60000109.5F89 L98 W188 V193F89-V191 HydrophobicContact CZ-CG2 4.4Å; L98-V191 HydrophobicContact CB-CG1 4.02Å; W188-V191 PolarHBondContact O-N 3.28Å; V191-V193 HydrophobicContact CG1-CG2 4.26Å
192A97.9Very high95.8Very high1 Ų128.7 Ų28.71%0.00817%0.167CC..EExtended strand (participates in β ladder)trans-79.6118.6166.800000109.2R96 V97 L98 F194 L694 L696R96-A192 PolarHBondContact O-N 3.08Å; V97-A192 WeakPolarHBondContact CA-O 3.25Å; L98-A192 PolarHBondContact N-O 3.13Å; A192-F194 HydrophobicContact CB-CE2 3.93Å; A192-L694 HydrophobicContact CB-CD1 4.04Å; A192-L696 HydrophobicContact CB-CD2 3.96Å
193V98.5Very high95.8Very high0 Ų028.5 Ų28.50%017%0.166CC..EExtended strand (participates in β ladder)trans-106122.2-177.7-171.90000109.7L98 M100 V178 L182 W188 V191 L694 F695L98-V193 HydrophobicContact CB-CG1 4.26Å; L98-V193 HydrophobicContact CB-CG2 4.3Å; L98-V193 HydrophobicContact CD2-CG1 4.07Å; L98-V193 HydrophobicContact CG-CG1 4.23Å; L98-V193 CarbonylContact O-C 3.52Å; L98-V193 VanDerWaalsContact O-CA 3.3Å; L98-V193 WeakPolarHBondContact O-CA 3.27Å; M100-V193 HydrophobicContact SD-CG1 4.33Å; V178-V193 HydrophobicContact CB-CG1 4.47Å; V178-V193 HydrophobicContact CG1-CB 3.81Å; V178-V193 HydrophobicContact CG1-CG1 3.67Å; V178-V193 HydrophobicContact CG1-CG2 4.19Å; V178-V193 HydrophobicContact CG2-CG1 3.86Å; L182-V193 HydrophobicContact CD1-CG2 4.37Å; L182-V193 HydrophobicContact CD2-CG2 4.18Å; L182-V193 HydrophobicContact CG-CG2 4.43Å; W188-V193 HydrophobicContact CE3-CG2 3.87Å; W188-V193 HydrophobicContact CZ3-CG1 4.37Å; W188-V193 HydrophobicContact CZ3-CG2 3.91Å; V191-V193 HydrophobicContact CG1-CG2 4.26Å; V193-L694 CarbonylContact O-C 3.54Å; V193-L694 WeakPolarHBondContact O-CA 3.4Å; V193-F695 HydrophobicContact CB-CB 4.31Å; V193-F695 PolarHBondContact N-O 2.85Å; V193-F695 PolarHBondContact O-N 2.94Å
194F98.5Very high95.8Very high1 Ų127.3 Ų27.30%0.00416%0.157CC..EExtended strand (participates in β ladder)trans-108.4126177.3-63.8-101.9000109.2V97 L98 Y99 M100 A192 F211 V693 L694 I728 F765V97-F194 HydrophobicContact CG1-CD2 3.87Å; V97-F194 HydrophobicContact CG1-CE2 4.06Å; V97-F194 HydrophobicContact CG2-CE2 4.46Å; L98-F194 PolarHBondContact O-N 2.86Å; Y99-F194 HydrophobicContact CD2-CB 3.46Å; Y99-F194 VanDerWaalsContact CD2-CB 3.46Å; Y99-F194 HydrophobicContact CD2-CD2 4.36Å; Y99-F194 AromaticContact CD2-CG 3.92Å; Y99-F194 HydrophobicContact CD2-CG 3.92Å; Y99-F194 HydrophobicContact CE2-CB 3.84Å; Y99-F194 HydrophobicContact CE2-CG 4.3Å; Y99-F194 HydrophobicContact CG-CB 4.11Å; M100-F194 PolarHBondContact N-O 3.24Å; A192-F194 HydrophobicContact CB-CE2 3.93Å; F194-F211 HydrophobicContact CD1-CE2 4.42Å; F194-F211 HydrophobicContact CE1-CE2 4.16Å; F194-F211 HydrophobicContact CE2-CZ 4.33Å; F194-F211 HydrophobicContact CZ-CE2 4.28Å; F194-F211 HydrophobicContact CZ-CZ 4.31Å; F194-V693 CarbonylContact C-O 3.56Å; F194-V693 WeakPolarHBondContact CA-O 3.41Å; F194-L694 HydrophobicContact CD1-CB 4.34Å; F194-L694 HydrophobicContact CD1-CD1 4.27Å; F194-L694 HydrophobicContact CD2-CD1 4.26Å; F194-L694 HydrophobicContact CE1-CB 4.29Å; F194-L694 HydrophobicContact CE1-CD1 3.95Å; F194-L694 HydrophobicContact CE1-CD2 4.45Å; F194-L694 HydrophobicContact CE1-CG 4.46Å; F194-L694 HydrophobicContact CE2-CD1 3.94Å; F194-L694 HydrophobicContact CG-CD1 4.42Å; F194-L694 HydrophobicContact CZ-CD1 3.77Å; F194-I728 HydrophobicContact CE2-CD1 4.43Å; F194-I728 HydrophobicContact CZ-CG2 4.18Å; F194-F765 AromaticContact CD1-CD1 3.95Å; F194-F765 HydrophobicContact CD1-CD1 3.95Å; F194-F765 HydrophobicContact CD1-CE1 4.24Å; F194-F765 HydrophobicContact CD1-CG 4.16Å; F194-F765 AromaticContact CE1-CD1 3.82Å; F194-F765 HydrophobicContact CE1-CD1 3.82Å; F194-F765 AromaticContact CE1-CD2 3.85Å; F194-F765 HydrophobicContact CE1-CD2 3.85Å; F194-F765 AromaticContact CE1-CE1 3.85Å; F194-F765 HydrophobicContact CE1-CE1 3.85Å; F194-F765 AromaticContact CE1-CE2 3.89Å; F194-F765 HydrophobicContact CE1-CE2 3.89Å; F194-F765 AromaticContact CE1-CG 3.82Å; F194-F765 HydrophobicContact CE1-CG 3.82Å; F194-F765 AromaticContact CE1-CZ 3.89Å; F194-F765 HydrophobicContact CE1-CZ 3.89Å
195L98.4Very high95.9Very high0 Ų023 Ų230%013%0.134CC..EExtended strand (participates in β ladder)trans-108.1117.9171.4-178.161.5000109.1M100 L174 R175 V693 F695M100-L195 HydrophobicContact CB-CD1 4.05Å; L174-L195 HydrophobicContact CB-CD1 4.16Å; L174-L195 HydrophobicContact CB-CD2 4.03Å; L174-L195 HydrophobicContact CD1-CD1 4.16Å; R175-L195 HydrophobicContact CG-CD2 3.78Å; L195-V693 PolarHBondContact N-O 2.75Å; L195-V693 PolarHBondContact O-N 3.22Å; L195-F695 HydrophobicContact CB-CE2 3.97Å; L195-F695 HydrophobicContact CD2-CE2 4.43Å
196S98.3Very high96Very high0 Ų021.2 Ų21.20%012%0.124CC..EExtended strand (participates in β ladder)trans-112.287.7173.5-170.10000108.8M100 I102 K207 D692M100-S196 PolarHBondContact O-N 3.04Å; I102-S196 PolarHBondContact N-O 2.74Å; S196-K207 PolarHBondContact O-NZ 2.71Å; S196-K207 VanDerWaalsContact O-NZ 3.11Å; S196-K207 WeakPolarHBondContact OG-CD 3.44Å; S196-K207 WeakPolarHBondContact OG-CE 3Å; S196-K207 PolarHBondContact OG-NZ 3.04Å; S196-D692 WeakPolarHBondContact CA-OD1 3.09Å; S196-D692 WeakPolarHBondContact CB-OD1 2.95Å; S196-D692 PolarHBondContact OG-OD1 3.02Å
197D97.1Very high96.3Very high22 Ų2217.5 Ų17.512%0.11810%0.098CC..  trans-76.2-176.3-174.470.545.9000113.7I102 A171 S199 V200 K207I102-D197 HydrophobicContact CD1-CB 4.17Å; A171-D197 HydrophobicContact CB-CB 3.88Å; D197-S199 PolarHBondContact O-N 3Å; D197-S199 WeakPolarHBondContact OD1-CA 3.49Å; D197-S199 WeakPolarHBondContact OD1-CB 3.36Å; D197-S199 PolarHBondContact OD1-N 3.32Å; D197-S199 PolarHBondContact OD1-OG 3Å; D197-V200 PolarHBondContact O-N 3.09Å; D197-K207 PolarHBondContact O-NZ 2.68Å
198A97.3Very high96.5Very high6 Ų616.8 Ų16.85%0.059%0.091CC..THydrogen-bonded Turntrans-70.2-12.1-175.900000114.7I102 D103 G104 P162 M167I102-A198 HydrophobicContact CG2-CB 4.06Å; D103-A198 WeakPolarHBondContact O-CA 3.36Å; D103-A198 WeakPolarHBondContact O-CB 3.43Å; G104-A198 WeakPolarHBondContact CA-O 3.48Å; P162-A198 HydrophobicContact CB-CB 4.27Å; P162-A198 HydrophobicContact CG-CB 4.31Å; M167-A198 HydrophobicContact CB-CB 4.03Å; M167-A198 HydrophobicContact CE-CB 4.48Å; M167-A198 HydrophobicContact CG-CB 4.44Å
199S96Very high96.6Very high33 Ų3317 Ų1723%0.2319%0.093CC..THydrogen-bonded Turntrans-78.7-21.2172.676.10000112.6D197 P201 L689 G690D197-S199 PolarHBondContact O-N 3Å; D197-S199 WeakPolarHBondContact OD1-CA 3.49Å; D197-S199 WeakPolarHBondContact OD1-CB 3.36Å; D197-S199 PolarHBondContact OD1-N 3.32Å; D197-S199 PolarHBondContact OD1-OG 3Å; S199-P201 WeakPolarHBondContact O-CD 3.48Å; S199-L689 WeakPolarHBondContact O-CA 3.4Å; S199-G690 PolarHBondContact O-N 2.83Å; S199-G690 WeakPolarHBondContact OG-CA 3.44Å; S199-G690 PolarHBondContact OG-N 2.65Å
200V97.1Very high96.8Very high17 Ų1713.6 Ų13.610%0.1038%0.079CC..SBendtrans-85.5114175.7-174.40000109.1G104 D197 K207 S691G104-V200 WeakPolarHBondContact CA-O 3.46Å; D197-V200 PolarHBondContact O-N 3.09Å; V200-K207 HydrophobicContact CB-CD 4.34Å; V200-K207 HydrophobicContact CG1-CD 3.98Å; V200-K207 WeakPolarHBondContact O-CD 3.47Å; V200-K207 PolarHBondContact O-NZ 2.88Å; V200-S691 VanDerWaalsContact CG2-C 3.42Å
201P97.1Very high97Very high37 Ų379.4 Ų9.424%0.246%0.056CC..  trans-69.3145.9-171.328.8-35.6000113.1V105 S199 W570 P601 L689V105-P201 HydrophobicContact CB-CB 4.38Å; S199-P201 WeakPolarHBondContact O-CD 3.48Å; P201-W570 HydrophobicContact CB-CH2 4.12Å; P201-W570 HydrophobicContact CB-CZ3 4.44Å; P201-P601 HydrophobicContact CB-CB 3.9Å; P201-P601 HydrophobicContact CB-CG 3.82Å; P201-P601 HydrophobicContact CG-CG 4Å; P201-L689 HydrophobicContact CG-CD2 4.42Å
202G95.8Very high97.1Very high6 Ų69.3 Ų9.36%0.0626%0.056CC..SBendtrans119.5147.8-174.500000112.4G104 V105 K207G104-G202 WeakPolarHBondContact CA-O 3.2Å; G104-G202 PolarHBondContact N-O 2.77Å; V105-G202 PolarHBondContact O-N 2.62Å; G202-K207 WeakPolarHBondContact O-CE 3.27Å
203E95.6Very high97.1Very high2 Ų210.2 Ų10.21%0.0096%0.059CC..  trans-66144.7171.3-65.3161.2-105.700109.8D103 A106 K110 E205 H206 K207 Y562D103-E203 WeakPolarHBondContact OD1-CA 3.34Å; A106-E203 HydrophobicContact CB-CG 3.84Å; K110-E203 WeakPolarHBondContact CD-OE2 3.35Å; K110-E203 WeakPolarHBondContact CE-OE2 3.41Å; K110-E203 HydrophobicContact CG-CG 4.25Å; K110-E203 VanDerWaalsContact CG-OE2 3.32Å; K110-E203 WeakPolarHBondContact CG-OE2 3.28Å; K110-E203 IonicContact NZ-OE2 3.88Å; K110-E203 PolarHBondContact NZ-OE2 3.49Å; E203-E205 VanDerWaalsContact C-N 3.33Å; E203-E205 PolarHBondContact O-N 3.15Å; E203-H206 HydrophobicContact CB-CB 4.4Å; E203-H206 CarbonylContact O-C 3.52Å; E203-H206 WeakPolarHBondContact O-CA 3.45Å; E203-H206 PolarHBondContact O-N 3.44Å; E203-K207 PolarHBondContact O-N 2.74Å; E203-Y562 VanDerWaalsContact OE1-CE1 3.3Å; E203-Y562 WeakPolarHBondContact OE1-CE1 3.39Å; E203-Y562 PolarHBondContact OE1-OH 2.93Å
204G95.1Very high97Very high0 Ų012.6 Ų12.60%07%0.068CC..Hα-helixtrans-56.7-44-172.300000112.9A101 D103 H206 K207 I208A101-G204 WeakPolarHBondContact CB-O 3.18Å; D103-G204 PolarHBondContact OD1-N 2.8Å; G204-H206 VanDerWaalsContact C-N 3.31Å; G204-H206 PolarHBondContact O-N 2.96Å; G204-K207 PolarHBondContact O-N 2.78Å; G204-I208 WeakPolarHBondContact O-CD1 3.21Å; G204-I208 WeakPolarHBondContact O-CG1 3.2Å; G204-I208 PolarHBondContact O-N 3.1Å; G204-I208 VanDerWaalsContact O-N 3.09Å
205E94.7Very high96.9Very high15 Ų1512.7 Ų12.77%0.077%0.068CC..Hα-helixtrans-60.9-37.9174.266.7178.8166.700112.7E203 M209 L236 L239E203-E205 VanDerWaalsContact C-N 3.33Å; E203-E205 PolarHBondContact O-N 3.15Å; E205-M209 WeakPolarHBondContact O-CG 2.94Å; E205-M209 PolarHBondContact O-N 3.47Å; E205-M209 VanDerWaalsContact O-N 3.11Å; E205-L236 HydrophobicContact CB-CD2 3.57Å; E205-L236 HydrophobicContact CG-CD2 4.49Å; E205-L236 WeakPolarHBondContact OE2-CD2 3.49Å; E205-L239 HydrophobicContact CB-CD1 4.08Å; E205-L239 HydrophobicContact CG-CD1 3.89Å; E205-L239 WeakPolarHBondContact OE2-CD1 3.46Å
206H96.3Very high96.7Very high4 Ų413.5 Ų13.52%0.0197%0.072CC..Hα-helixtrans-78.1-32.8179.4-86.8-84.3000112.8E203 G204 M209 D210 Y562 Y563E203-H206 HydrophobicContact CB-CB 4.4Å; E203-H206 CarbonylContact O-C 3.52Å; E203-H206 WeakPolarHBondContact O-CA 3.45Å; E203-H206 PolarHBondContact O-N 3.44Å; G204-H206 VanDerWaalsContact C-N 3.31Å; G204-H206 PolarHBondContact O-N 2.96Å; H206-M209 PolarHBondContact O-N 2.8Å; H206-D210 WeakPolarHBondContact O-CB 3.41Å; H206-D210 PolarHBondContact O-N 3.31Å; H206-Y562 HydrophobicContact CB-CE2 3.89Å; H206-Y562 AromaticContact CD2-CE1 3.47Å; H206-Y562 VanDerWaalsContact CD2-CE1 3.47Å; H206-Y562 WeakPolarHBondContact CD2-CE1 3.33Å; H206-Y562 AromaticContact CD2-CZ 3.49Å; H206-Y562 VanDerWaalsContact CD2-CZ 3.49Å; H206-Y562 AromaticContact CE1-CD1 3.45Å; H206-Y562 VanDerWaalsContact CE1-CD1 3.45Å; H206-Y562 WeakPolarHBondContact CE1-CD1 3.49Å; H206-Y562 AromaticContact CE1-CD2 3.74Å; H206-Y562 AromaticContact CE1-CE1 3.65Å; H206-Y562 AromaticContact CE1-CE2 3.93Å; H206-Y562 AromaticContact CE1-CG 3.51Å; H206-Y562 AromaticContact CE1-CZ 3.89Å; H206-Y562 PolarHBondContact CE1-O 2.96Å; H206-Y562 AromaticContact CG-CE1 3.8Å; H206-Y562 AromaticContact CG-CE2 3.54Å; H206-Y562 AromaticContact CG-CZ 3.37Å; H206-Y562 AromaticContact ND1-CD1 3.97Å; H206-Y562 AromaticContact ND1-CD2 3.5Å; H206-Y562 AromaticContact ND1-CE1 3.9Å; H206-Y562 AromaticContact ND1-CE2 3.43Å; H206-Y562 WeakPolarHBondContact ND1-CE2 3.48Å; H206-Y562 AromaticContact ND1-CG 3.8Å; H206-Y562 AromaticContact ND1-CZ 3.64Å; H206-Y562 PolarHBondContact ND1-O 2.97Å; H206-Y562 AromaticContact NE2-CD1 3.5Å; H206-Y562 AromaticContact NE2-CE1 3.38Å; H206-Y562 WeakPolarHBondContact NE2-CE1 3.43Å; H206-Y562 AromaticContact NE2-CZ 3.83Å; H206-Y563 AromaticContact CE1-CD2 3.59Å; H206-Y563 AromaticContact CE1-CE2 3.89Å; H206-Y563 AromaticContact NE2-CD2 3.92Å; H206-Y563 AromaticContact NE2-CE2 3.72Å
207K97.5Very high96.6Very high14 Ų1415.3 Ų15.36%0.0619%0.086CC..Hα-helixtrans-63-42.2171.3-68.1-166.8-66.7173.90111.4I102 S196 D197 V200 G202 E203 G204 M209 D210 F211I102-K207 WeakPolarHBondContact O-CE 3.5Å; I102-K207 PolarHBondContact O-NZ 2.77Å; S196-K207 PolarHBondContact O-NZ 2.71Å; S196-K207 VanDerWaalsContact O-NZ 3.11Å; S196-K207 WeakPolarHBondContact OG-CD 3.44Å; S196-K207 WeakPolarHBondContact OG-CE 3Å; S196-K207 PolarHBondContact OG-NZ 3.04Å; D197-K207 PolarHBondContact O-NZ 2.68Å; V200-K207 HydrophobicContact CB-CD 4.34Å; V200-K207 HydrophobicContact CG1-CD 3.98Å; V200-K207 WeakPolarHBondContact O-CD 3.47Å; V200-K207 PolarHBondContact O-NZ 2.88Å; G202-K207 WeakPolarHBondContact O-CE 3.27Å; E203-K207 PolarHBondContact O-N 2.74Å; G204-K207 PolarHBondContact O-N 2.78Å; K207-M209 PolarHBondContact O-N 3.37Å; K207-D210 PolarHBondContact O-N 2.7Å; K207-F211 PolarHBondContact O-N 2.97Å
208I98.1Very high96.5Very high0 Ų016 Ų160%09%0.089CC..Hα-helixtrans-58.1-45.6171.3-72.4160.4000111.6Y52 Y99 A101 G204 F211 I212 L229Y52-I208 HydrophobicContact CD1-CB 4.46Å; Y52-I208 HydrophobicContact CD1-CG1 4.32Å; Y52-I208 HydrophobicContact CD1-CG2 3.59Å; Y52-I208 HydrophobicContact CE1-CG2 4.39Å; Y52-I208 HydrophobicContact CG-CG2 3.75Å; Y99-I208 HydrophobicContact CD1-CG1 3.76Å; Y99-I208 HydrophobicContact CE1-CG1 4.01Å; A101-I208 HydrophobicContact CB-CD1 3.77Å; A101-I208 HydrophobicContact CB-CG1 3.78Å; G204-I208 WeakPolarHBondContact O-CD1 3.21Å; G204-I208 WeakPolarHBondContact O-CG1 3.2Å; G204-I208 PolarHBondContact O-N 3.1Å; G204-I208 VanDerWaalsContact O-N 3.09Å; I208-F211 PolarHBondContact O-N 3.12Å; I208-I212 HydrophobicContact CG2-CD1 3.84Å; I208-I212 VanDerWaalsContact O-CG1 3.32Å; I208-I212 WeakPolarHBondContact O-CG1 3.25Å; I208-I212 PolarHBondContact O-N 3.41Å; I208-L229 HydrophobicContact CD1-CD1 3.95Å; I208-L229 HydrophobicContact CG2-CD1 4.26Å
209M97.4Very high96.2Very high6 Ų621.1 Ų21.13%0.0312%0.121CC..Hα-helixtrans-73.1-30.3-178.2-65.4-70.7162.800112.7E205 H206 K207 R213 L229 L239 T243 F248E205-M209 WeakPolarHBondContact O-CG 2.94Å; E205-M209 PolarHBondContact O-N 3.47Å; E205-M209 VanDerWaalsContact O-N 3.11Å; H206-M209 PolarHBondContact O-N 2.8Å; K207-M209 PolarHBondContact O-N 3.37Å; M209-R213 WeakPolarHBondContact O-CB 3.4Å; M209-R213 PolarHBondContact O-N 3.3Å; M209-R213 PolarHBondContact O-NH1 3.34Å; M209-L229 HydrophobicContact CE-CD2 3.45Å; M209-L229 VanDerWaalsContact CE-CD2 3.45Å; M209-L239 HydrophobicContact CE-CB 3.65Å; M209-L239 HydrophobicContact CG-CB 3.93Å; M209-L239 HydrophobicContact CG-CD1 4.32Å; M209-L239 HydrophobicContact CG-CD2 4.2Å; M209-L239 HydrophobicContact CG-CG 4.39Å; M209-L239 HydrophobicContact SD-CB 3.85Å; M209-T243 HydrophobicContact SD-CG2 3.61Å; M209-F248 HydrophobicContact CE-CZ 3.82Å
210D97Very high96Very high29 Ų2923.2 Ų23.216%0.15513%0.13CC..Hα-helixtrans-63.9-48.7169.1-99.552.9000111.4H206 K207 R213 R214H206-D210 WeakPolarHBondContact O-CB 3.41Å; H206-D210 PolarHBondContact O-N 3.31Å; K207-D210 PolarHBondContact O-N 2.7Å; D210-R213 PolarHBondContact O-N 3.28Å; D210-R213 IonicContact OD1-CZ 2.74Å; D210-R213 IonicContact OD1-NH1 2.67Å; D210-R213 PolarHBondContact OD1-NH1 2.69Å; D210-R213 IonicContact OD1-NH2 3.41Å; D210-R213 PolarHBondContact OD1-NH2 3.11Å; D210-R213 IonicContact OD2-CZ 3.53Å; D210-R213 IonicContact OD2-NH2 2.67Å; D210-R213 PolarHBondContact OD2-NH2 3.36Å; D210-R214 VanDerWaalsContact O-CB 3.31Å; D210-R214 WeakPolarHBondContact O-CB 3.38Å; D210-R214 WeakPolarHBondContact O-CG 3.47Å; D210-R214 PolarHBondContact O-N 2.71Å; D210-R214 IonicContact OD2-CZ 3.54Å; D210-R214 IonicContact OD2-NE 3.35Å; D210-R214 PolarHBondContact OD2-NE 3.28Å; D210-R214 IonicContact OD2-NH2 3.53Å; D210-R214 PolarHBondContact OD2-NH2 3.35Å
211F97.8Very high95.9Very high2 Ų223.6 Ų23.61%0.00913%0.131CC..Hα-helixtrans-56.1-55.5173.8177.2-94.6000111.6Y52 Y99 F194 K207 I208 R213 R214 Q215 I728 F765 D767Y52-F211 AromaticContact CE1-CD1 3.84Å; Y52-F211 HydrophobicContact CE1-CD1 3.84Å; Y52-F211 HydrophobicContact CE1-CE1 4.03Å; Y99-F211 HydrophobicContact CD2-CD1 4.06Å; Y99-F211 HydrophobicContact CD2-CD2 4.08Å; Y99-F211 HydrophobicContact CD2-CE1 4.24Å; Y99-F211 HydrophobicContact CD2-CE2 4.26Å; Y99-F211 AromaticContact CD2-CG 3.97Å; Y99-F211 HydrophobicContact CD2-CG 3.97Å; Y99-F211 HydrophobicContact CD2-CZ 4.32Å; Y99-F211 HydrophobicContact CE2-CB 3.96Å; Y99-F211 HydrophobicContact CE2-CD1 4.27Å; Y99-F211 AromaticContact CE2-CD2 3.65Å; Y99-F211 HydrophobicContact CE2-CD2 3.65Å; Y99-F211 HydrophobicContact CE2-CE2 4.16Å; Y99-F211 AromaticContact CE2-CG 3.7Å; Y99-F211 HydrophobicContact CE2-CG 3.7Å; F194-F211 HydrophobicContact CD1-CE2 4.42Å; F194-F211 HydrophobicContact CE1-CE2 4.16Å; F194-F211 HydrophobicContact CE2-CZ 4.33Å; F194-F211 HydrophobicContact CZ-CE2 4.28Å; F194-F211 HydrophobicContact CZ-CZ 4.31Å; K207-F211 PolarHBondContact O-N 2.97Å; I208-F211 PolarHBondContact O-N 3.12Å; F211-R213 VanDerWaalsContact C-N 3.28Å; F211-R213 PolarHBondContact O-N 3.12Å; F211-R214 PolarHBondContact O-N 3.2Å; F211-Q215 HydrophobicContact CD1-CG 4.23Å; F211-Q215 HydrophobicContact CD2-CG 4.05Å; F211-Q215 HydrophobicContact CE1-CG 4.03Å; F211-Q215 HydrophobicContact CE2-CG 3.85Å; F211-Q215 HydrophobicContact CG-CG 4.26Å; F211-Q215 HydrophobicContact CZ-CG 3.84Å; F211-Q215 WeakPolarHBondContact O-CB 3.3Å; F211-Q215 VanDerWaalsContact O-CG 3.24Å; F211-Q215 WeakPolarHBondContact O-CG 3.46Å; F211-Q215 PolarHBondContact O-N 2.87Å; F211-I728 HydrophobicContact CZ-CG2 4.49Å; F211-F765 HydrophobicContact CD2-CE1 4.42Å; F211-F765 HydrophobicContact CE2-CE1 4.22Å; F211-F765 HydrophobicContact CE2-CZ 4.36Å; F211-D767 WeakPolarHBondContact CA-OD2 3.25Å; F211-D767 WeakPolarHBondContact CD2-OD1 3.35Å
212I97.8Very high95.8Very high1 Ų124 Ų241%0.00513%0.131CC..Hα-helixtrans-55.1-45.9179.2-67.8170.8000110.6Y52 I208 R216 T243 F248Y52-I212 HydrophobicContact CD1-CD1 4.28Å; Y52-I212 HydrophobicContact CD1-CG1 4.48Å; Y52-I212 HydrophobicContact CD2-CD1 4.27Å; Y52-I212 HydrophobicContact CE1-CD1 3.9Å; Y52-I212 HydrophobicContact CE1-CG1 3.73Å; Y52-I212 HydrophobicContact CE2-CD1 3.9Å; Y52-I212 HydrophobicContact CE2-CG1 4.34Å; Y52-I212 HydrophobicContact CG-CD1 4.45Å; I208-I212 HydrophobicContact CG2-CD1 3.84Å; I208-I212 VanDerWaalsContact O-CG1 3.32Å; I208-I212 WeakPolarHBondContact O-CG1 3.25Å; I208-I212 PolarHBondContact O-N 3.41Å; I212-R216 WeakPolarHBondContact O-CB 3.33Å; I212-R216 PolarHBondContact O-N 3.03Å; I212-T243 HydrophobicContact CG2-CG2 4.04Å; I212-F248 HydrophobicContact CD1-CE2 3.97Å; I212-F248 HydrophobicContact CD1-CZ 4.38Å
213R97.1Very high95.8Very high19 Ų1924.6 Ų24.67%0.07213%0.134CC..Hα-helixtrans-67.7-37.4-178-172.8176.673.7-99.8-1.1113.5M209 D210 F211 A217 Y564 Q565 G566 F776M209-R213 WeakPolarHBondContact O-CB 3.4Å; M209-R213 PolarHBondContact O-N 3.3Å; M209-R213 PolarHBondContact O-NH1 3.34Å; D210-R213 PolarHBondContact O-N 3.28Å; D210-R213 IonicContact OD1-CZ 2.74Å; D210-R213 IonicContact OD1-NH1 2.67Å; D210-R213 PolarHBondContact OD1-NH1 2.69Å; D210-R213 IonicContact OD1-NH2 3.41Å; D210-R213 PolarHBondContact OD1-NH2 3.11Å; D210-R213 IonicContact OD2-CZ 3.53Å; D210-R213 IonicContact OD2-NH2 2.67Å; D210-R213 PolarHBondContact OD2-NH2 3.36Å; F211-R213 VanDerWaalsContact C-N 3.28Å; F211-R213 PolarHBondContact O-N 3.12Å; R213-A217 PolarHBondContact O-N 3.01Å; R213-Y564 WeakPolarHBondContact CD-O 3.45Å; R213-Q565 VanDerWaalsContact CZ-C 3.42Å; R213-Q565 PolarHBondContact NE-O 2.89Å; R213-Q565 PolarHBondContact NH2-O 3.08Å; R213-G566 VanDerWaalsContact NH2-CA 3.32Å; R213-F776 HydrophobicContact CG-CB 3.76Å; R213-F776 HydrophobicContact CG-CD1 3.58Å; R213-F776 HydrophobicContact CG-CD2 4.06Å; R213-F776 HydrophobicContact CG-CE1 4.17Å; R213-F776 HydrophobicContact CG-CG 3.52Å; R213-F776 VanDerWaalsContact NE-CD2 3.34Å
214R96.6Very high95.9Very high51 Ų5125.7 Ų25.719%0.19214%0.14CC..Hα-helixtrans-75.4-38.9179.2-71.5172.4-176.8-107.86.8112.6D210 F211 Q218 D767 P768 F770 F776D210-R214 VanDerWaalsContact O-CB 3.31Å; D210-R214 WeakPolarHBondContact O-CB 3.38Å; D210-R214 WeakPolarHBondContact O-CG 3.47Å; D210-R214 PolarHBondContact O-N 2.71Å; D210-R214 IonicContact OD2-CZ 3.54Å; D210-R214 IonicContact OD2-NE 3.35Å; D210-R214 PolarHBondContact OD2-NE 3.28Å; D210-R214 IonicContact OD2-NH2 3.53Å; D210-R214 PolarHBondContact OD2-NH2 3.35Å; F211-R214 PolarHBondContact O-N 3.2Å; R214-Q218 PolarHBondContact O-NE2 3.45Å; R214-D767 WeakPolarHBondContact CD-OD2 3.25Å; R214-P768 PolarHBondContact NH1-O 3.37Å; R214-F770 HydrophobicContact CB-CE2 4Å; R214-F770 HydrophobicContact CG-CD2 4.48Å; R214-F770 HydrophobicContact CG-CE2 3.96Å; R214-F776 HydrophobicContact CG-CE1 4.34Å; R214-F776 HydrophobicContact CG-CZ 4.08Å
215Q96.3Very high96Very high2 Ų226 Ų261%0.00914%0.141CC..Hα-helixtrans-67.2-46.4172.5-62.1-55.2-37.200110.7F211 A217 Q218 H221 Q729 D767 P768F211-Q215 HydrophobicContact CD1-CG 4.23Å; F211-Q215 HydrophobicContact CD2-CG 4.05Å; F211-Q215 HydrophobicContact CE1-CG 4.03Å; F211-Q215 HydrophobicContact CE2-CG 3.85Å; F211-Q215 HydrophobicContact CG-CG 4.26Å; F211-Q215 HydrophobicContact CZ-CG 3.84Å; F211-Q215 WeakPolarHBondContact O-CB 3.3Å; F211-Q215 VanDerWaalsContact O-CG 3.24Å; F211-Q215 WeakPolarHBondContact O-CG 3.46Å; F211-Q215 PolarHBondContact O-N 2.87Å; Q215-A217 PolarHBondContact O-N 2.9Å; Q215-A217 VanDerWaalsContact O-N 3.11Å; Q215-Q218 VanDerWaalsContact O-CB 3.29Å; Q215-Q218 WeakPolarHBondContact O-CB 3.43Å; Q215-Q218 WeakPolarHBondContact O-CG 3.42Å; Q215-Q218 PolarHBondContact O-N 2.86Å; Q215-H221 WeakPolarHBondContact O-CB 3.21Å; Q215-Q729 PolarHBondContact NE2-O 3.31Å; Q215-Q729 PolarHBondContact OE1-O 3.45Å; Q215-D767 PolarHBondContact NE2-OD1 2.99Å; Q215-P768 VanDerWaalsContact NE2-CD 3.26Å
216R95.9Very high96.1Very high18 Ų1828.3 Ų28.37%0.06815%0.152CC..Hα-helixtrans-60.2-20.9177.8-176-175159.4-91.1-6.9114.3I212 T243 E245 K777 V779 L781I212-R216 WeakPolarHBondContact O-CB 3.33Å; I212-R216 PolarHBondContact O-N 3.03Å; R216-T243 WeakPolarHBondContact CD-O 3.47Å; R216-T243 VanDerWaalsContact CZ-O 3.27Å; R216-T243 PolarHBondContact NE-O 3.47Å; R216-E245 WeakPolarHBondContact CD-OE1 3.27Å; R216-E245 WeakPolarHBondContact CG-OE1 3.17Å; R216-E245 IonicContact NE-OE1 2.66Å; R216-E245 PolarHBondContact NE-OE1 3.45Å; R216-E245 VanDerWaalsContact NE-OE1 3.08Å; R216-K777 PolarHBondContact NH1-O 2.92Å; R216-K777 PolarHBondContact NH2-O 2.96Å; R216-V779 PolarHBondContact NH2-O 3.39Å; R216-L781 HydrophobicContact CG-CD1 3.68Å; R216-L781 HydrophobicContact CG-CG 4.26Å
217A95.3Very high96.2Very high38 Ų3828.1 Ų28.131%0.31415%0.151SC..THydrogen-bonded Turntrans-85.6-3.9174.600000114.3R213 Q215 F770 F774 F776R213-A217 PolarHBondContact O-N 3.01Å; Q215-A217 PolarHBondContact O-N 2.9Å; Q215-A217 VanDerWaalsContact O-N 3.11Å; A217-F770 HydrophobicContact CB-CE1 3.77Å; A217-F770 HydrophobicContact CB-CZ 3.59Å; A217-F774 HydrophobicContact CB-CE1 4.37Å; A217-F774 HydrophobicContact CB-CZ 4.49Å; A217-F776 HydrophobicContact CB-CD1 3.84Å; A217-F776 HydrophobicContact CB-CE1 3.84Å
218Q94.3Very high96.2Very high37 Ų3727.5 Ų27.517%0.17315%0.148CC..SBendtrans-81.5149.1175.1-59.5-48.3-40.400112.4R214 Q215 N220 H221 Q729 P768R214-Q218 PolarHBondContact O-NE2 3.45Å; Q215-Q218 VanDerWaalsContact O-CB 3.29Å; Q215-Q218 WeakPolarHBondContact O-CB 3.43Å; Q215-Q218 WeakPolarHBondContact O-CG 3.42Å; Q215-Q218 PolarHBondContact O-N 2.86Å; Q218-N220 PolarHBondContact O-N 2.85Å; Q218-H221 PolarHBondContact O-N 3.35Å; Q218-Q729 HydrophobicContact CG-CB 4.22Å; Q218-Q729 HydrophobicContact CG-CG 4.32Å; Q218-P768 HydrophobicContact CG-CG 4.32Å
219P92.1Very high96.2Very high112 Ų11227.5 Ų27.573%0.72715%0.148SC*.THydrogen-bonded Turntrans-67.6-21.7179.229-36.3000113.7
220N92.3Very high96.2Very high78 Ų7827.5 Ų27.542%0.41715%0.149SC..THydrogen-bonded Turntrans-97.82.9-174.9-66.3-15.5000113.7Q218 A722 G727Q218-N220 PolarHBondContact O-N 2.85Å; N220-A722 HydrophobicContact CB-CB 4.07Å; N220-A722 VanDerWaalsContact ND2-CB 3.31Å; N220-A722 WeakPolarHBondContact ND2-CB 3.48Å; N220-G727 WeakPolarHBondContact O-CA 3.26Å
221H94.4Very high95.8Very high24 Ų2426.3 Ų26.311%0.11114%0.144CC..  trans-68.6135.5178.1177.982.8000111.7Q215 Q218 P223 H227Q215-H221 WeakPolarHBondContact O-CB 3.21Å; Q218-H221 PolarHBondContact O-N 3.35Å; H221-P223 VanDerWaalsContact O-CD 3.26Å; H221-P223 WeakPolarHBondContact O-CD 3.42Å; H221-H227 AromaticContact NE2-CE1 3.79Å; H221-H227 AromaticContact NE2-NE2 3.82Å
222D95.2Very high95.1Very high45 Ų4528.1 Ų28.124%0.24116%0.159CC..  trans-81.3108.1176.3175.17.6000110.7R96 N224 T225R96-D222 IonicContact CZ-OD2 3.34Å; R96-D222 IonicContact NH1-OD2 2.74Å; R96-D222 PolarHBondContact NH1-OD2 3.16Å; R96-D222 IonicContact NH2-OD2 3.59Å; R96-D222 PolarHBondContact NH2-OD2 3.13Å; D222-N224 PolarHBondContact O-N 3.47Å; D222-N224 WeakPolarHBondContact OD1-CB 3.26Å; D222-N224 PolarHBondContact OD1-N 3.39Å; D222-N224 VanDerWaalsContact OD1-N 3.08Å; D222-N224 PolarHBondContact OD1-ND2 2.79Å; D222-T225 WeakPolarHBondContact O-CB 3.18Å; D222-T225 PolarHBondContact O-N 3.12Å; D222-T225 VanDerWaalsContact O-N 3.09Å; D222-T225 PolarHBondContact O-OG1 2.62Å
223P96Very high94.4Very high19 Ų1931.1 Ų31.112%0.12318%0.175CC..THydrogen-bonded Turntrans-75.817-175.236.2-38.7000113.2H221 L781 A784H221-P223 VanDerWaalsContact O-CD 3.26Å; H221-P223 WeakPolarHBondContact O-CD 3.42Å; P223-L781 HydrophobicContact CB-CB 3.6Å; P223-L781 HydrophobicContact CB-CD1 3.96Å; P223-L781 HydrophobicContact CB-CG 4.43Å; P223-A784 HydrophobicContact CB-CB 4.22Å; P223-A784 WeakPolarHBondContact O-CA 3.28Å; P223-A784 WeakPolarHBondContact O-CB 3.39Å
224N96.4Very high93.7Very high26 Ų2630.3 Ų30.314%0.13917%0.172CC..THydrogen-bonded Turntrans-123.46.7174.9-54.8-92.9000111.9D222 H226 N247 G783 K785D222-N224 PolarHBondContact O-N 3.47Å; D222-N224 WeakPolarHBondContact OD1-CB 3.26Å; D222-N224 PolarHBondContact OD1-N 3.39Å; D222-N224 VanDerWaalsContact OD1-N 3.08Å; D222-N224 PolarHBondContact OD1-ND2 2.79Å; N224-H226 PolarHBondContact O-CE1 3.39Å; N224-H226 VanDerWaalsContact O-CE1 3.27Å; N224-H226 PolarHBondContact O-N 2.73Å; N224-H226 PolarHBondContact O-ND1 2.99Å; N224-H226 VanDerWaalsContact O-ND1 3.08Å; N224-N247 PolarHBondContact O-ND2 3.43Å; N224-G783 PolarHBondContact ND2-O 2.79Å; N224-G783 PolarHBondContact OD1-O 3.09Å; N224-K785 VanDerWaalsContact OD1-CB 3.26Å; N224-K785 WeakPolarHBondContact OD1-CB 3.46Å; N224-K785 WeakPolarHBondContact OD1-CD 3.42Å; N224-K785 VanDerWaalsContact OD1-CG 3.27Å; N224-K785 WeakPolarHBondContact OD1-CG 3.26Å; N224-K785 PolarHBondContact OD1-N 3.38Å
225T96.9Very high93.2Very high5 Ų528.6 Ų28.63%0.03117%0.167CC..  trans-51.6130.6177.5-61.10000111D49 D222 H227 N247D49-T225 HydrophobicContact CB-CG2 3.85Å; D222-T225 WeakPolarHBondContact O-CB 3.18Å; D222-T225 PolarHBondContact O-N 3.12Å; D222-T225 VanDerWaalsContact O-N 3.09Å; D222-T225 PolarHBondContact O-OG1 2.62Å; T225-H227 PolarHBondContact O-CD2 2.93Å; T225-N247 WeakPolarHBondContact O-CB 3.48Å
226H97.3Very high93Very high65 Ų6528.5 Ų28.530%0.30117%0.166SC..  trans-91.1110.3178-65.571.9000110.1F48 D49 N50 N224 N247F48-H226 HydrophobicContact CD1-CB 4.29Å; D49-H226 PolarHBondContact N-O 3.29Å; D49-H226 IonicContact OD2-CG 3.45Å; D49-H226 PolarHBondContact OD2-N 3.22Å; D49-H226 IonicContact OD2-ND1 3.75Å; D49-H226 PolarHBondContact OD2-ND1 3.17Å; D49-H226 VanDerWaalsContact OD2-ND1 3.11Å; N50-H226 PolarHBondContact N-O 3.11Å; N224-H226 PolarHBondContact O-CE1 3.39Å; N224-H226 VanDerWaalsContact O-CE1 3.27Å; N224-H226 PolarHBondContact O-N 2.73Å; N224-H226 PolarHBondContact O-ND1 2.99Å; N224-H226 VanDerWaalsContact O-ND1 3.08Å; H226-N247 HydrophobicContact CB-CB 4.47Å; H226-N247 PolarHBondContact CE1-ND2 3.04Å; H226-N247 PolarHBondContact NE2-ND2 2.9Å
227H98.3Very high92.8Very high0 Ų027.7 Ų27.70%016%0.163CC..EExtended strand (participates in β ladder)trans-96.2127.5-177.4-61.6-100.7000110.7Y52 H221 T225 N247 F248 T249Y52-H227 HydrophobicContact CE2-CB 4.02Å; Y52-H227 AromaticContact CE2-ND1 3.31Å; Y52-H227 VanDerWaalsContact CE2-ND1 3.31Å; Y52-H227 WeakPolarHBondContact CE2-ND1 3.32Å; Y52-H227 AromaticContact CZ-ND1 3.54Å; Y52-H227 PolarHBondContact OH-CE1 2.95Å; Y52-H227 PolarHBondContact OH-ND1 2.94Å; H221-H227 AromaticContact NE2-CE1 3.79Å; H221-H227 AromaticContact NE2-NE2 3.82Å; T225-H227 PolarHBondContact O-CD2 2.93Å; H227-N247 PolarHBondContact N-O 3.38Å; H227-F248 HydrophobicContact CB-CD2 3.73Å; H227-F248 HydrophobicContact CB-CE2 3.9Å; H227-F248 HydrophobicContact CB-CG 4.19Å; H227-F248 HydrophobicContact CB-CZ 4.49Å; H227-T249 PolarHBondContact O-N 2.77Å
228C98.4Very high92.8Very high0 Ų026 Ų260%015%0.149CC..EExtended strand (participates in β ladder)trans-117.6116.1168.8-161.60000110F48 N50 L51 Y52 V92 T249F48-C228 HydrophobicContact CB-CB 4.33Å; F48-C228 HydrophobicContact CD1-CB 3.66Å; F48-C228 HydrophobicContact CE1-CB 4.04Å; F48-C228 HydrophobicContact CG-CB 3.94Å; N50-C228 PolarHBondContact O-N 3.17Å; L51-C228 CarbonylContact C-O 3.34Å; L51-C228 WeakPolarHBondContact CA-O 3.34Å; L51-C228 HydrophobicContact CD1-CB 4.25Å; L51-C228 WeakPolarHBondContact CD1-O 3.49Å; Y52-C228 PolarHBondContact N-O 2.78Å; V92-C228 HydrophobicContact CG1-CB 3.65Å; C228-T249 CarbonylContact C-O 3.6Å; C228-T249 WeakPolarHBondContact CA-O 3.06Å
229L98.1Very high92.8Very high0 Ų024.4 Ų24.40%014%0.142CC..EExtended strand (participates in β ladder)trans-106.3117.8178.6172.556.4000110.3I208 M209 L236 F248 T249 I250 I251I208-L229 HydrophobicContact CD1-CD1 3.95Å; I208-L229 HydrophobicContact CG2-CD1 4.26Å; M209-L229 HydrophobicContact CE-CD2 3.45Å; M209-L229 VanDerWaalsContact CE-CD2 3.45Å; L229-L236 HydrophobicContact CD2-CB 4.24Å; L229-L236 HydrophobicContact CD2-CD2 3.98Å; L229-L236 HydrophobicContact CG-CD2 4.49Å; L229-F248 HydrophobicContact CB-CE1 3.8Å; L229-F248 HydrophobicContact CB-CZ 4.05Å; L229-F248 HydrophobicContact CD2-CE1 3.96Å; L229-F248 HydrophobicContact CD2-CZ 3.96Å; L229-T249 PolarHBondContact N-O 3.03Å; L229-I250 HydrophobicContact CB-CG1 4.27Å; L229-I250 HydrophobicContact CD2-CG1 4.47Å; L229-I250 CarbonylContact O-C 3.55Å; L229-I250 WeakPolarHBondContact O-CA 3.23Å; L229-I250 WeakPolarHBondContact O-CG2 3.38Å; L229-I251 PolarHBondContact O-N 3.44Å
230C96.3Very high93Very high6 Ų619.1 Ų19.14%0.04111%0.108CC..EExtended strand (participates in β ladder)trans-86.5126.8171.1-174.20000110.5Y52 L53 D54 L88 I251Y52-C230 PolarHBondContact O-N 3.37Å; L53-C230 HydrophobicContact CD2-CB 3.49Å; L53-C230 VanDerWaalsContact CD2-CB 3.49Å; D54-C230 PolarHBondContact N-O 3.48Å; L88-C230 HydrophobicContact CD1-CB 4.18Å; L88-C230 WeakPolarHBondContact CD1-SG 3.42Å; C230-I251 WeakPolarHBondContact CA-O 3.47Å; C230-I251 HydrophobicContact CB-CG2 3.62Å
231G89.5Confident93.2Very high5 Ų515.5 Ų15.55%0.0529%0.088CC..  trans174.215717200000112.8I251 R252G231-I251 PolarHBondContact N-O 3.47Å; G231-R252 WeakPolarHBondContact O-CB 3.25Å
232A82.9Confident93.3Very high39 Ų3914.8 Ų14.832%0.3229%0.087SC..  trans-90.4-16.8-174.300000114.1V3 R252V3-A232 WeakPolarHBondContact CG1-O 3.17Å; A232-R252 PolarHBondContact O-NH1 3.03Å; A232-R252 PolarHBondContact O-NH2 3.25Å
233D83.8Confident93.4Very high65 Ų6513.2 Ų13.235%0.3488%0.079SC..  trans-84.2163.1-164-79.27.6000114.5V3 L236V3-D233 HydrophobicContact CG2-CB 4.18Å; D233-L236 HydrophobicContact CB-CD1 4.31Å; D233-L236 HydrophobicContact CB-CG 4.28Å
234A81.2Confident93.4Very high1 Ų112.4 Ų12.41%0.0087%0.074CC..SBendtrans-79.9-31.8-176.900000111.8V3 F6 L236 I237V3-A234 HydrophobicContact CG2-CB 4.24Å; F6-A234 HydrophobicContact CB-CB 3.91Å; F6-A234 HydrophobicContact CD1-CB 3.78Å; F6-A234 HydrophobicContact CG-CB 4.11Å; A234-L236 VanDerWaalsContact C-N 3.31Å; A234-L236 PolarHBondContact O-N 2.68Å; A234-I237 WeakPolarHBondContact O-CB 3.43Å; A234-I237 PolarHBondContact O-N 2.87Å; A234-I237 VanDerWaalsContact O-N 3.13Å
235D85.8Confident93.4Very high15 Ų1511.4 Ų11.48%0.087%0.068CC..Hα-helixtrans-73.6-27.3-171.4-68.426.9000110.5I237 M238 L239 Y563D235-I237 PolarHBondContact O-N 3.18Å; D235-I237 VanDerWaalsContact O-N 3.09Å; D235-M238 WeakPolarHBondContact O-CA 3.42Å; D235-M238 WeakPolarHBondContact O-CB 3.42Å; D235-M238 PolarHBondContact O-N 3.33Å; D235-L239 WeakPolarHBondContact O-CG 3.13Å; D235-L239 PolarHBondContact O-N 3.18Å; D235-Y563 WeakPolarHBondContact CB-OH 3.23Å; D235-Y563 PolarHBondContact OD2-OH 3.46Å; D235-Y563 VanDerWaalsContact OD2-OH 3.07Å
236L92Very high93.3Very high0 Ų011.2 Ų11.20%07%0.067CC..Hα-helixtrans-47.8-34.4165.1-55.9173.9000114E205 L229 D233 A234 G240 I250E205-L236 HydrophobicContact CB-CD2 3.57Å; E205-L236 HydrophobicContact CG-CD2 4.49Å; E205-L236 WeakPolarHBondContact OE2-CD2 3.49Å; L229-L236 HydrophobicContact CD2-CB 4.24Å; L229-L236 HydrophobicContact CD2-CD2 3.98Å; L229-L236 HydrophobicContact CG-CD2 4.49Å; D233-L236 HydrophobicContact CB-CD1 4.31Å; D233-L236 HydrophobicContact CB-CG 4.28Å; A234-L236 VanDerWaalsContact C-N 3.31Å; A234-L236 PolarHBondContact O-N 2.68Å; L236-G240 PolarHBondContact O-N 2.96Å; L236-I250 HydrophobicContact CB-CD1 4.08Å; L236-I250 WeakPolarHBondContact O-CD1 3.44Å
237I93.4Very high93.2Very high1 Ų18.9 Ų8.91%0.0056%0.057CC..Hα-helixtrans-73-33.4179.1-61.6168.5000110.6F6 L10 A234 D235 L241 I250 I304 L306 L309F6-I237 HydrophobicContact CD1-CD1 4.36Å; F6-I237 HydrophobicContact CE1-CB 4.39Å; F6-I237 HydrophobicContact CE1-CD1 3.97Å; F6-I237 HydrophobicContact CE1-CG2 4.33Å; L10-I237 HydrophobicContact CD2-CD1 3.8Å; L10-I237 HydrophobicContact CD2-CG2 4.14Å; A234-I237 WeakPolarHBondContact O-CB 3.43Å; A234-I237 PolarHBondContact O-N 2.87Å; A234-I237 VanDerWaalsContact O-N 3.13Å; D235-I237 PolarHBondContact O-N 3.18Å; D235-I237 VanDerWaalsContact O-N 3.09Å; I237-L241 WeakPolarHBondContact O-CD1 3.4Å; I237-L241 VanDerWaalsContact O-CG 3.27Å; I237-L241 WeakPolarHBondContact O-CG 3.3Å; I237-L241 PolarHBondContact O-N 2.76Å; I237-I250 HydrophobicContact CB-CD1 4.31Å; I237-I250 HydrophobicContact CG1-CD1 3.67Å; I237-I304 HydrophobicContact CD1-CD1 4.03Å; I237-L306 HydrophobicContact CG2-CD2 4.02Å; I237-L309 HydrophobicContact CG2-CD2 3.73Å
238M93.7Very high93.2Very high4 Ų49 Ų92%0.026%0.057CC..Hα-helixtrans-76-46.4175.2-59.6-57.9169.300111F6 D235 L241 A242 W335 V336 C339 Y563F6-M238 HydrophobicContact CD2-CE 4.46Å; F6-M238 HydrophobicContact CE1-CE 4.04Å; F6-M238 HydrophobicContact CE2-CE 3.49Å; F6-M238 VanDerWaalsContact CE2-CE 3.49Å; F6-M238 HydrophobicContact CZ-CE 3.24Å; D235-M238 WeakPolarHBondContact O-CA 3.42Å; D235-M238 WeakPolarHBondContact O-CB 3.42Å; D235-M238 PolarHBondContact O-N 3.33Å; M238-L241 PolarHBondContact O-N 2.88Å; M238-A242 WeakPolarHBondContact O-CB 3.5Å; M238-A242 PolarHBondContact O-N 2.73Å; M238-W335 HydrophobicContact CE-CH2 3.88Å; M238-W335 HydrophobicContact CE-CZ3 3.86Å; M238-W335 HydrophobicContact SD-CE3 4.23Å; M238-W335 HydrophobicContact SD-CH2 4.21Å; M238-W335 HydrophobicContact SD-CZ3 3.56Å; M238-W335 VanDerWaalsContact SD-CZ3 3.56Å; M238-V336 HydrophobicContact CB-CG1 4.11Å; M238-V336 HydrophobicContact SD-CG2 4.12Å; M238-C339 HydrophobicContact CE-CB 3.53Å; M238-C339 VanDerWaalsContact CE-SG 3.52Å; M238-C339 HydrophobicContact SD-CB 4.12Å; M238-Y563 HydrophobicContact CB-CD1 4.37Å; M238-Y563 HydrophobicContact CB-CE1 3.85Å
239L95.4Very high93.2Very high2 Ų29.3 Ų9.31%0.016%0.059CC..Hα-helixtrans-58.1-48.7175.7-69.9168.9000111.1E205 M209 D235 L241 A242 T243 Y563E205-L239 HydrophobicContact CB-CD1 4.08Å; E205-L239 HydrophobicContact CG-CD1 3.89Å; E205-L239 WeakPolarHBondContact OE2-CD1 3.46Å; M209-L239 HydrophobicContact CE-CB 3.65Å; M209-L239 HydrophobicContact CG-CB 3.93Å; M209-L239 HydrophobicContact CG-CD1 4.32Å; M209-L239 HydrophobicContact CG-CD2 4.2Å; M209-L239 HydrophobicContact CG-CG 4.39Å; M209-L239 HydrophobicContact SD-CB 3.85Å; D235-L239 WeakPolarHBondContact O-CG 3.13Å; D235-L239 PolarHBondContact O-N 3.18Å; L239-L241 VanDerWaalsContact C-N 3.3Å; L239-L241 PolarHBondContact O-N 3.02Å; L239-A242 WeakPolarHBondContact O-CB 3.28Å; L239-A242 PolarHBondContact O-N 3.42Å; L239-A242 VanDerWaalsContact O-N 3.09Å; L239-T243 WeakPolarHBondContact O-CG2 3.42Å; L239-T243 PolarHBondContact O-N 3.08Å; L239-T243 VanDerWaalsContact O-N 3.16Å; L239-Y563 HydrophobicContact CD2-CD1 3.39Å; L239-Y563 HydrophobicContact CD2-CD2 3.94Å; L239-Y563 HydrophobicContact CD2-CE1 3.73Å; L239-Y563 HydrophobicContact CD2-CE2 4.21Å; L239-Y563 HydrophobicContact CD2-CG 3.51Å; L239-Y563 HydrophobicContact CG-CD1 3.91Å; L239-Y563 HydrophobicContact CG-CE1 3.81Å; L239-Y563 HydrophobicContact CG-CG 4.48Å
240G96.4Very high93.1Very high2 Ų29.3 Ų9.32%0.0216%0.059CC..Hα-helixtrans-60.7-34.2176.400000113.7L236 T243L236-G240 PolarHBondContact O-N 2.96Å; G240-T243 PolarHBondContact O-OG1 2.8Å
241L96.8Very high93.1Very high1 Ų19 Ų91%0.0056%0.057CC..Hα-helixtrans-69.5-41.9171.6-75.8170.8000112.2I237 M238 L239 T243 H244 L309 R310 L313 V332 W335 V336I237-L241 WeakPolarHBondContact O-CD1 3.4Å; I237-L241 VanDerWaalsContact O-CG 3.27Å; I237-L241 WeakPolarHBondContact O-CG 3.3Å; I237-L241 PolarHBondContact O-N 2.76Å; M238-L241 PolarHBondContact O-N 2.88Å; L239-L241 VanDerWaalsContact C-N 3.3Å; L239-L241 PolarHBondContact O-N 3.02Å; L241-T243 PolarHBondContact O-N 2.9Å; L241-H244 PolarHBondContact O-N 3.28Å; L241-H244 VanDerWaalsContact O-N 3.09Å; L241-L309 HydrophobicContact CD1-CD2 3.97Å; L241-R310 HydrophobicContact CD2-CG 3.55Å; L241-L313 HydrophobicContact CD1-CD1 4.08Å; L241-V332 HydrophobicContact CB-CG1 4.03Å; L241-V332 HydrophobicContact CD2-CG1 4.29Å; L241-W335 HydrophobicContact CD1-CE3 4.06Å; L241-W335 HydrophobicContact CD1-CZ3 3.59Å; L241-V336 HydrophobicContact CB-CG2 4.18Å; L241-V336 HydrophobicContact CD1-CG2 4.46Å
242A96.5Very high93.2Very high10 Ų109.9 Ų9.98%0.0836%0.059CC..Hα-helixtrans-66.7-12.7179.300000114.2M238 L239 H244 Y564M238-A242 WeakPolarHBondContact O-CB 3.5Å; M238-A242 PolarHBondContact O-N 2.73Å; L239-A242 WeakPolarHBondContact O-CB 3.28Å; L239-A242 PolarHBondContact O-N 3.42Å; L239-A242 VanDerWaalsContact O-N 3.09Å; A242-H244 VanDerWaalsContact C-N 3.3Å; A242-H244 PolarHBondContact O-CD2 2.95Å; A242-H244 VanDerWaalsContact O-CD2 3.24Å; A242-Y564 HydrophobicContact CB-CD1 4.38Å; A242-Y564 HydrophobicContact CB-CD2 4.14Å; A242-Y564 HydrophobicContact CB-CE1 3.89Å; A242-Y564 HydrophobicContact CB-CE2 3.58Å; A242-Y564 VanDerWaalsContact CB-CZ 3.44Å
243T96.6Very high93.5Very high12 Ų1210.8 Ų10.87%0.0746%0.056CC..THydrogen-bonded Turntrans-68-29.6169.168.20000113M209 I212 R216 L239 G240 L241 E245 F248M209-T243 HydrophobicContact SD-CG2 3.61Å; I212-T243 HydrophobicContact CG2-CG2 4.04Å; R216-T243 WeakPolarHBondContact CD-O 3.47Å; R216-T243 VanDerWaalsContact CZ-O 3.27Å; R216-T243 PolarHBondContact NE-O 3.47Å; L239-T243 WeakPolarHBondContact O-CG2 3.42Å; L239-T243 PolarHBondContact O-N 3.08Å; L239-T243 VanDerWaalsContact O-N 3.16Å; G240-T243 PolarHBondContact O-OG1 2.8Å; L241-T243 PolarHBondContact O-N 2.9Å; T243-E245 PolarHBondContact O-N 2.91Å; T243-E245 PolarHBondContact OG1-N 3.08Å; T243-E245 VanDerWaalsContact OG1-N 3.08Å; T243-F248 HydrophobicContact CG2-CD2 4.26Å; T243-F248 HydrophobicContact CG2-CE2 3.84Å
244H96.5Very high93.6Very high2 Ų210 Ų101%0.0095%0.051CC..  trans56.617.3-164.2-55.4-95.8000115.5L241 A242 E329 D333 Y564 A778 V779 L780L241-H244 PolarHBondContact O-N 3.28Å; L241-H244 VanDerWaalsContact O-N 3.09Å; A242-H244 VanDerWaalsContact C-N 3.3Å; A242-H244 PolarHBondContact O-CD2 2.95Å; A242-H244 VanDerWaalsContact O-CD2 3.24Å; H244-E329 IonicContact CE1-OE2 3.62Å; H244-E329 IonicContact CG-OE2 2.73Å; H244-E329 IonicContact ND1-OE2 3.7Å; H244-E329 PolarHBondContact ND1-OE2 3.37Å; H244-D333 IonicContact CE1-OD1 3.36Å; H244-D333 PolarHBondContact CE1-OD1 2.82Å; H244-D333 IonicContact NE2-OD1 2.67Å; H244-D333 PolarHBondContact NE2-OD1 3.15Å; H244-D333 VanDerWaalsContact NE2-OD1 3.08Å; H244-Y564 AromaticContact NE2-CE1 3.72Å; H244-A778 WeakPolarHBondContact NE2-CB 3.28Å; H244-V779 WeakPolarHBondContact CB-O 3.39Å; H244-L780 WeakPolarHBondContact O-CD2 2.95Å
245E96.4Very high93.4Very high4 Ų415.8 Ų15.82%0.0198%0.076CC..  trans-73.7131.4173.2-73.7-53.7118.600111.2R216 T243 N247 F248R216-E245 WeakPolarHBondContact CD-OE1 3.27Å; R216-E245 WeakPolarHBondContact CG-OE1 3.17Å; R216-E245 IonicContact NE-OE1 2.66Å; R216-E245 PolarHBondContact NE-OE1 3.45Å; R216-E245 VanDerWaalsContact NE-OE1 3.08Å; T243-E245 PolarHBondContact O-N 2.91Å; T243-E245 PolarHBondContact OG1-N 3.08Å; T243-E245 VanDerWaalsContact OG1-N 3.08Å; E245-N247 VanDerWaalsContact C-N 3.29Å; E245-N247 PolarHBondContact O-N 3.47Å; E245-F248 HydrophobicContact CB-CD2 4.37Å
246P94.4Very high92.8Very high1 Ų118.4 Ų18.41%0.0069%0.087CC..THydrogen-bonded Turntrans-71.4-26.9-17230.5-37000112.6C307 L780 A784 M786P246-C307 WeakPolarHBondContact O-CB 3.27Å; P246-L780 HydrophobicContact CB-CD2 4.47Å; P246-A784 HydrophobicContact CG-CB 4.23Å; P246-M786 HydrophobicContact CB-SD 3.97Å
247N95.9Very high91.6Very high17 Ų1722.1 Ų22.19%0.09111%0.111CC..THydrogen-bonded Turntrans-109.441-169-64.1-21.8000112N224 T225 H226 H227 E245 P787N224-N247 PolarHBondContact O-ND2 3.43Å; T225-N247 WeakPolarHBondContact O-CB 3.48Å; H226-N247 HydrophobicContact CB-CB 4.47Å; H226-N247 PolarHBondContact CE1-ND2 3.04Å; H226-N247 PolarHBondContact NE2-ND2 2.9Å; H227-N247 PolarHBondContact N-O 3.38Å; E245-N247 VanDerWaalsContact C-N 3.29Å; E245-N247 PolarHBondContact O-N 3.47Å; N247-P787 VanDerWaalsContact OD1-CG 3.24Å; N247-P787 WeakPolarHBondContact OD1-CG 3.16Å
248F97.6Very high90.3Very high1 Ų129.8 Ų29.80%0.00415%0.152CC..EExtended strand (participates in β ladder)trans-92.8128.4-178-149-72.4000113M209 I212 H227 L229 T243 E245 I250 L306M209-F248 HydrophobicContact CE-CZ 3.82Å; I212-F248 HydrophobicContact CD1-CE2 3.97Å; I212-F248 HydrophobicContact CD1-CZ 4.38Å; H227-F248 HydrophobicContact CB-CD2 3.73Å; H227-F248 HydrophobicContact CB-CE2 3.9Å; H227-F248 HydrophobicContact CB-CG 4.19Å; H227-F248 HydrophobicContact CB-CZ 4.49Å; L229-F248 HydrophobicContact CB-CE1 3.8Å; L229-F248 HydrophobicContact CB-CZ 4.05Å; L229-F248 HydrophobicContact CD2-CE1 3.96Å; L229-F248 HydrophobicContact CD2-CZ 3.96Å; T243-F248 HydrophobicContact CG2-CD2 4.26Å; T243-F248 HydrophobicContact CG2-CE2 3.84Å; E245-F248 HydrophobicContact CB-CD2 4.37Å; F248-I250 HydrophobicContact CD1-CG1 4.47Å; F248-I250 HydrophobicContact CE1-CG1 4.16Å; F248-L306 HydrophobicContact CB-CB 4.35Å; F248-L306 HydrophobicContact CB-CD1 4.19Å; F248-L306 HydrophobicContact CD1-CD1 3.54Å; F248-L306 HydrophobicContact CD1-CG 4.24Å; F248-L306 HydrophobicContact CE1-CD1 4.27Å; F248-L306 HydrophobicContact CG-CD1 4.09Å; F248-L306 WeakPolarHBondContact O-CB 3.48Å; F248-L306 PolarHBondContact O-N 2.85Å; F248-L306 VanDerWaalsContact O-N 3.07Å
249T97.3Very high89Confident7 Ų732.6 Ų32.64%0.04316%0.164CC..EExtended strand (participates in β ladder)trans-132.8143.2176.6-58.30000110.1F48 H227 C228 L229 F303 I304 F810F48-T249 HydrophobicContact CE1-CG2 4.29Å; F48-T249 HydrophobicContact CZ-CG2 4.3Å; H227-T249 PolarHBondContact O-N 2.77Å; C228-T249 CarbonylContact C-O 3.6Å; C228-T249 WeakPolarHBondContact CA-O 3.06Å; L229-T249 PolarHBondContact N-O 3.03Å; T249-F303 HydrophobicContact CG2-CB 3.85Å; T249-F303 HydrophobicContact CG2-CD1 3.58Å; T249-F303 HydrophobicContact CG2-CE1 4.46Å; T249-F303 HydrophobicContact CG2-CG 4.05Å; T249-I304 WeakPolarHBondContact CA-O 3.5Å; T249-F810 HydrophobicContact CG2-CZ 4.2Å
250I97.1Very high87.6Confident1 Ų137.3 Ų37.31%0.00520%0.195CC..EExtended strand (participates in β ladder)trans-108.4135.3171.5-64.2162.8000108.7L229 L236 I237 F248 F303 I304 L306L229-I250 HydrophobicContact CB-CG1 4.27Å; L229-I250 HydrophobicContact CD2-CG1 4.47Å; L229-I250 CarbonylContact O-C 3.55Å; L229-I250 WeakPolarHBondContact O-CA 3.23Å; L229-I250 WeakPolarHBondContact O-CG2 3.38Å; L236-I250 HydrophobicContact CB-CD1 4.08Å; L236-I250 WeakPolarHBondContact O-CD1 3.44Å; I237-I250 HydrophobicContact CB-CD1 4.31Å; I237-I250 HydrophobicContact CG1-CD1 3.67Å; F248-I250 HydrophobicContact CD1-CG1 4.47Å; F248-I250 HydrophobicContact CE1-CG1 4.16Å; I250-F303 CarbonylContact O-C 3.53Å; I250-F303 VanDerWaalsContact O-CA 3.29Å; I250-F303 WeakPolarHBondContact O-CA 3.19Å; I250-I304 HydrophobicContact CB-CB 4.29Å; I250-I304 PolarHBondContact N-O 2.76Å; I250-I304 PolarHBondContact O-N 2.9Å; I250-L306 HydrophobicContact CD1-CD1 4.23Å; I250-L306 HydrophobicContact CD1-CD2 4.2Å; I250-L306 HydrophobicContact CD1-CG 4.49Å
251I95.8Very high86.2Confident0 Ų044.6 Ų44.60%022%0.221CC..EExtended strand (participates in β ladder)trans-105.9138.3169.7-172.8172.8000109.8L88 I91 V92 L229 C230 G231 F301 F303L88-I251 HydrophobicContact CD2-CD1 4.17Å; I91-I251 HydrophobicContact CB-CD1 4.46Å; I91-I251 HydrophobicContact CG2-CD1 3.78Å; V92-I251 HydrophobicContact CG2-CD1 3.92Å; V92-I251 HydrophobicContact CG2-CG2 4.44Å; L229-I251 PolarHBondContact O-N 3.44Å; C230-I251 WeakPolarHBondContact CA-O 3.47Å; C230-I251 HydrophobicContact CB-CG2 3.62Å; G231-I251 PolarHBondContact N-O 3.47Å; I251-F301 HydrophobicContact CD1-CB 4.35Å; I251-F301 HydrophobicContact CD1-CD1 4.29Å; I251-F301 HydrophobicContact CD1-CG 4.43Å; I251-F301 HydrophobicContact CG1-CB 4.37Å; I251-F301 HydrophobicContact CG1-CD1 4.06Å; I251-F303 HydrophobicContact CB-CD1 3.85Å; I251-F303 HydrophobicContact CB-CE1 3.86Å; I251-F303 HydrophobicContact CD1-CD1 4.44Å; I251-F303 HydrophobicContact CD1-CE1 3.83Å; I251-F303 HydrophobicContact CD1-CZ 4.16Å; I251-F303 HydrophobicContact CG1-CD1 4.15Å; I251-F303 HydrophobicContact CG1-CE1 4.03Å
252R92.6Very high84.9Confident22 Ų2247.6 Ų47.68%0.08324%0.241CC..EExtended strand (participates in β ladder)trans-154.6163.2179.167175.5-61.6130.313.3111.8G231 A232 F301 I302 I304G231-R252 WeakPolarHBondContact O-CB 3.25Å; A232-R252 PolarHBondContact O-NH1 3.03Å; A232-R252 PolarHBondContact O-NH2 3.25Å; R252-F301 CarbonylContact O-C 3.54Å; R252-F301 WeakPolarHBondContact O-CA 3.24Å; R252-F301 WeakPolarHBondContact O-CD1 3.45Å; R252-I302 HydrophobicContact CG-CD1 4Å; R252-I302 HydrophobicContact CG-CG1 3.62Å; R252-I302 PolarHBondContact N-O 2.69Å; R252-I302 WeakPolarHBondContact O-CG1 3.29Å; R252-I302 PolarHBondContact O-N 3.16Å; R252-I304 HydrophobicContact CG-CD1 4.47Å
253E89.1Confident83.9Confident58 Ų5847.2 Ų47.227%0.27124%0.238SC..EExtended strand (participates in β ladder)trans-65.7144166.2-68.5-170.2177.400112.4Y84 F255 Q299 F301Y84-E253 WeakPolarHBondContact CE2-OE1 3.39Å; Y84-E253 VanDerWaalsContact OH-CD 3.3Å; Y84-E253 WeakPolarHBondContact OH-CG 3.28Å; Y84-E253 PolarHBondContact OH-OE1 2.89Å; E253-F255 PolarHBondContact O-N 2.98Å; E253-Q299 HydrophobicContact CB-CG 4.23Å; E253-Q299 HydrophobicContact CG-CG 3.93Å; E253-Q299 VanDerWaalsContact OE2-CG 3.24Å; E253-Q299 WeakPolarHBondContact OE2-CG 3.43Å; E253-F301 HydrophobicContact CG-CD1 4.26Å; E253-F301 HydrophobicContact CG-CE1 3.8Å; E253-F301 HydrophobicContact CG-CZ 4.27Å
254E85.5Confident82.7Confident49 Ų4949.9 Ų49.923%0.22926%0.257CS..  trans-75.3115.7171.6-166.8-172.1-178.100111.4H20 K256 Q299 E300 I302H20-E254 IonicContact CE1-OE1 2.83Å; H20-E254 IonicContact CE1-OE2 3.52Å; H20-E254 PolarHBondContact CE1-OE2 3.4Å; H20-E254 IonicContact ND1-OE2 3.33Å; E254-K256 HydrophobicContact CG-CG 4.3Å; E254-K256 PolarHBondContact O-N 2.84Å; E254-K256 WeakPolarHBondContact OE2-CE 3.46Å; E254-K256 IonicContact OE2-NZ 2.69Å; E254-K256 PolarHBondContact OE2-NZ 2.7Å; E254-Q299 PolarHBondContact O-NE2 3.36Å; E254-E300 PolarHBondContact N-O 3.1Å; E254-I302 HydrophobicContact CB-CD1 4.47Å; E254-I302 HydrophobicContact CB-CG1 4.41Å; E254-I302 HydrophobicContact CB-CG2 4.08Å; E254-I302 HydrophobicContact CG-CD1 4.4Å; E254-I302 HydrophobicContact CG-CG2 4.27Å
255F76.9Confident81.6Confident123 Ų12350 Ų5054%0.53926%0.258SS..  trans-74.195.9173.2-179-102.5000111.5P4 E253 P257P4-F255 HydrophobicContact CB-CE1 4.38Å; E253-F255 PolarHBondContact O-N 2.98Å; F255-P257 HydrophobicContact CE1-CB 3.93Å; F255-P257 VanDerWaalsContact O-CD 3.27Å; F255-P257 WeakPolarHBondContact O-CD 3.06Å
256K73.2Confident80.4Confident70 Ų7050.3 Ų50.330%0.30426%0.26SS..  trans-87.4104.3174.2-64.5-178.6-178.2-176.50109.9E254 E300E254-K256 HydrophobicContact CG-CG 4.3Å; E254-K256 PolarHBondContact O-N 2.84Å; E254-K256 WeakPolarHBondContact OE2-CE 3.46Å; E254-K256 IonicContact OE2-NZ 2.69Å; E254-K256 PolarHBondContact OE2-NZ 2.7Å; K256-E300 IonicContact NZ-OE1 3.84Å; K256-E300 PolarHBondContact NZ-OE1 3.16Å; K256-E300 IonicContact NZ-OE2 2.83Å; K256-E300 PolarHBondContact NZ-OE2 3.23Å
257P67.1Low79.3Confident77 Ų7754.3 Ų54.350%0.528%0.282SS..THydrogen-bonded Turntrans-72.2150.4-173.230.1-36.2000112.5F255F255-P257 HydrophobicContact CE1-CB 3.93Å; F255-P257 VanDerWaalsContact O-CD 3.27Å; F255-P257 WeakPolarHBondContact O-CD 3.06Å
258N65.9Low78.1Confident163 Ų16356 Ų5687%0.87229%0.289SS*.THydrogen-bonded Turntrans63.932.4176.9-44-28.4000114.8
259K67.3Low77Confident62 Ų6260.2 Ų60.227%0.2732%0.315SS..  trans-53133.2161.8-74.4-177.1-178.4175.30109.4D67 R261D67-K259 IonicContact OD2-NZ 3.54Å; D67-K259 PolarHBondContact OD2-NZ 2.79Å; K259-R261 PolarHBondContact O-N 3.31Å
260P65.4Low75.8Confident102 Ų10263.4 Ų63.466%0.66235%0.349SS*.  trans-74.8105178.429.6-33.1000110.5
261R67.3Low74.8Confident154 Ų15466 Ų6658%0.58136%0.361SS*.PPolyproline II helixtrans-71.3150.4177.8-67.2-175177.5177.62.3111.8E66 K259E66-R261 IonicContact OE1-CZ 2.78Å; E66-R261 IonicContact OE1-NH2 3.04Å; E66-R261 PolarHBondContact OE1-NH2 3.35Å; E66-R261 IonicContact OE2-CZ 2.69Å; E66-R261 IonicContact OE2-NE 3.54Å; E66-R261 PolarHBondContact OE2-NE 3.45Å; E66-R261 IonicContact OE2-NH2 3.8Å; E66-R261 PolarHBondContact OE2-NH2 3.36Å; K259-R261 PolarHBondContact O-N 3.31Å
262P69.7Low73.7Confident64 Ų6472.7 Ų72.742%0.41639%0.392SS..BIsolated β-bridgetrans-73.5145.7169.931.2-34.2000111.2S264 T269P262-S264 PolarHBondContact O-N 3.28Å; P262-T269 HydrophobicContact CB-CG2 4.4Å
263C73.5Confident72.7Confident3 Ų372.9 Ų72.92%0.0240%0.395CS..PPolyproline II helixtrans-69.8123.9173.5172.30000111.2L265 C266 N267 Q268 H271C263-L265 PolarHBondContact O-N 3.32Å; C263-C266 PolarHBondContact O-N 3.22Å; C263-N267 WeakPolarHBondContact O-CA 3.05Å; C263-N267 PolarHBondContact O-N 3.11Å; C263-Q268 VanDerWaalsContact CB-O 3.3Å; C263-Q268 WeakPolarHBondContact CB-O 3.44Å; C263-Q268 PolarHBondContact N-O 3.46Å; C263-H271 WeakPolarHBondContact CB-NE2 3.45Å; C263-H271 PolarHBondContact SG-NE2 3.13Å; C263-H271 VanDerWaalsContact SG-NE2 3.44Å
264S71.6Confident72.1Confident68 Ų6876.4 Ų76.448%0.47641%0.409SS..THydrogen-bonded Turntrans-67.30.8-173.7-39.60000116.2P262P262-S264 PolarHBondContact O-N 3.28Å
265L74Confident71.8Confident5 Ų579.2 Ų79.23%0.02643%0.426CS..THydrogen-bonded Turntrans-103.6-46.3175.1-73.5171.4000112.6K132 M135 R136 I139 L146 C263 I273 C276K132-L265 HydrophobicContact CG-CD2 3.61Å; M135-L265 HydrophobicContact CB-CD1 3.75Å; R136-L265 HydrophobicContact CB-CD2 4.32Å; I139-L265 HydrophobicContact CD1-CD1 3.83Å; L146-L265 HydrophobicContact CD2-CB 4.12Å; C263-L265 PolarHBondContact O-N 3.32Å; L265-I273 HydrophobicContact CD1-CG2 3.76Å; L265-I273 HydrophobicContact CG-CG2 4.27Å; L265-C276 HydrophobicContact CD1-CB 4.01Å
266C71.6Confident71.8Confident9 Ų973.7 Ų73.76%0.06140%0.402CS..THydrogen-bonded Turntrans-116.20.3-171.572.10000114L146 C263 Q268 H271L146-C266 HydrophobicContact CD2-CB 3.95Å; C263-C266 PolarHBondContact O-N 3.22Å; C266-Q268 VanDerWaalsContact C-N 3.26Å; C266-Q268 PolarHBondContact O-N 3.29Å; C266-H271 PolarHBondContact SG-CE1 2.9Å; C266-H271 PolarHBondContact SG-NE2 2.93Å
267N70.8Confident72.1Confident86 Ų8677.9 Ų77.946%0.4642%0.423SS..  trans52.738.5-179.3-60.7-35.3000113.6C263 R281C263-N267 WeakPolarHBondContact O-CA 3.05Å; C263-N267 PolarHBondContact O-N 3.11Å; N267-R281 PolarHBondContact O-NH2 2.85Å
268Q70.1Confident72.3Confident51 Ų5174.5 Ų74.524%0.23840%0.402CS..  trans-118.8142.4174.8-71169.782.300110.1C263 C266 V279 R281C263-Q268 VanDerWaalsContact CB-O 3.3Å; C263-Q268 WeakPolarHBondContact CB-O 3.44Å; C263-Q268 PolarHBondContact N-O 3.46Å; C266-Q268 VanDerWaalsContact C-N 3.26Å; C266-Q268 PolarHBondContact O-N 3.29Å; Q268-V279 PolarHBondContact NE2-O 3.21Å; Q268-R281 HydrophobicContact CG-CG 3.71Å
269T74.8Confident72.5Confident90 Ų9071 Ų7155%0.55239%0.386SS*.BIsolated β-bridgetrans-81.6157.1-179.247.80000112.4P262P262-T269 HydrophobicContact CB-CG2 4.4Å
270G72.1Confident72.4Confident74 Ų7470.8 Ų70.876%0.76340%0.396SS*.SBendtrans98.25.7167.800000116.3
271H77.4Confident72.3Confident55 Ų5571.1 Ų71.126%0.25538%0.384SS..SBendtrans-147.7156171.864.1-86.3000110.8C263 C266 D275C263-H271 WeakPolarHBondContact CB-NE2 3.45Å; C263-H271 PolarHBondContact SG-NE2 3.13Å; C263-H271 VanDerWaalsContact SG-NE2 3.44Å; C266-H271 PolarHBondContact SG-CE1 2.9Å; C266-H271 PolarHBondContact SG-NE2 2.93Å; H271-D275 HydrophobicContact CB-CB 4.04Å
272E73Confident71.7Confident141 Ų14171.7 Ų71.766%0.65939%0.393SS*.  trans-86.7168.2174.7-64.8-173.3-172.100111.4K274 D275 C276E272-K274 PolarHBondContact O-N 2.69Å; E272-K274 VanDerWaalsContact O-N 3.13Å; E272-D275 PolarHBondContact O-N 3.18Å; E272-C276 PolarHBondContact O-N 2.78Å
273I71.4Confident70.9Confident26 Ų2674 Ų7413%0.13340%0.397CS..G310 helixtrans-49.6-41.2177.6-67174.1000111.4L128 M135 L265 D275 C276L128-I273 HydrophobicContact CD1-CD1 3.88Å; M135-I273 HydrophobicContact CB-CG2 4.5Å; M135-I273 HydrophobicContact CG-CG2 4.19Å; L265-I273 HydrophobicContact CD1-CG2 3.76Å; L265-I273 HydrophobicContact CG-CG2 4.27Å; I273-D275 VanDerWaalsContact C-N 3.31Å; I273-D275 PolarHBondContact O-N 3.08Å; I273-C276 WeakPolarHBondContact O-CB 3.3Å; I273-C276 PolarHBondContact O-N 3.44Å
274K76.1Confident69.7Low133 Ų13380.2 Ų80.258%0.57843%0.426SS*.G310 helixtrans-70.5-23.7-177.1-62.5179.9177.4-176.90113.7E131 E272E131-K274 WeakPolarHBondContact OE1-CE 3.19Å; E131-K274 IonicContact OE1-NZ 3.08Å; E131-K274 VanDerWaalsContact OE2-CE 3.28Å; E131-K274 WeakPolarHBondContact OE2-CE 3.31Å; E131-K274 IonicContact OE2-NZ 2.84Å; E272-K274 PolarHBondContact O-N 2.69Å; E272-K274 VanDerWaalsContact O-N 3.13Å
275D77.9Confident68.9Low107 Ų10779.7 Ų79.757%0.57243%0.431SS*.G310 helixtrans-97.44.6177-66.2-49.6000112.5H271 E272 I273 Q277H271-D275 HydrophobicContact CB-CB 4.04Å; E272-D275 PolarHBondContact O-N 3.18Å; I273-D275 VanDerWaalsContact C-N 3.31Å; I273-D275 PolarHBondContact O-N 3.08Å; D275-Q277 PolarHBondContact O-N 3.37Å
276C78.4Confident67.6Low7 Ų788.4 Ų88.45%0.04747%0.472CS..  trans-71.1112.1-175-175.10000112.1I139 L265 E272 I273I139-C276 HydrophobicContact CD1-CB 4.01Å; I139-C276 WeakPolarHBondContact CD1-O 3.49Å; I139-C276 WeakPolarHBondContact CG1-O 3Å; L265-C276 HydrophobicContact CD1-CB 4.01Å; E272-C276 PolarHBondContact O-N 2.78Å; I273-C276 WeakPolarHBondContact O-CB 3.3Å; I273-C276 PolarHBondContact O-N 3.44Å
277Q78.8Confident66.4Low159 Ų15995.4 Ų95.474%0.74350%0.504SS*.  trans-900.5-178.7-66.2-179.110.300114.4D275 V279D275-Q277 PolarHBondContact O-N 3.37Å; Q277-V279 VanDerWaalsContact C-N 3.27Å; Q277-V279 HydrophobicContact CB-CG2 3.9Å; Q277-V279 PolarHBondContact O-N 2.91Å
278G70.9Confident65.3Low5 Ų596.3 Ų96.35%0.05251%0.508CS..  trans63.131.3-178.300000113.9F145F145-G278 PolarHBondContact N-O 2.94Å; F145-G278 CarbonylContact O-C 3.58Å
279V71.3Confident64.1Low89 Ų8999.8 Ų99.854%0.53952%0.524SS..PPolyproline II helixtrans-78.1132177.3-173.50000109Q268 Q277Q268-V279 PolarHBondContact NE2-O 3.21Å; Q277-V279 VanDerWaalsContact C-N 3.27Å; Q277-V279 HydrophobicContact CB-CG2 3.9Å; Q277-V279 PolarHBondContact O-N 2.91Å
280A63.9Low62.8Low59 Ų59101.6 Ų101.649%0.48853%0.525SS..PPolyproline II helixtrans-61.5142.9174.800000111.4Q282A280-Q282 PolarHBondContact O-N 2.96Å
281R63.7Low61.6Low108 Ų10899.9 Ų99.941%0.40850%0.503SS..PPolyproline II helixtrans-54.7136.1173.7-77-179.4171-170.5-3.3110.2N267 Q268 K283 F290N267-R281 PolarHBondContact O-NH2 2.85Å; Q268-R281 HydrophobicContact CG-CG 3.71Å; R281-K283 PolarHBondContact O-N 3.25Å; R281-F290 HydrophobicContact CB-CD1 4.14Å
282Q54.1Low59.9Low166 Ų166100.5 Ų100.578%0.77652%0.524SS*.PPolyproline II helixtrans-61.2126.1170-75.2-175.4-22.500110.1A280A280-Q282 PolarHBondContact O-N 2.96Å
283K54.3Low58.5Low114 Ų11498.3 Ų98.350%0.49653%0.531SS..BIsolated β-bridgetrans-67.1143.8170.3-66-178.5170.4-174.80109.7R281 D288R281-K283 PolarHBondContact O-N 3.25Å; K283-D288 WeakPolarHBondContact CE-OD1 3.46Å; K283-D288 IonicContact NZ-OD1 2.66Å; K283-D288 PolarHBondContact NZ-OD1 3.28Å; K283-D288 IonicContact NZ-OD2 2.75Å; K283-D288 PolarHBondContact NZ-OD2 3.02Å
284Q47Very low57.1Low132 Ų132105.3 Ų105.362%0.61757%0.565SS**  trans-134.5103.3171.9-75.3-169.6-6.200109.1E289 A291Q284-E289 PolarHBondContact N-O 3.08Å; Q284-E289 VanDerWaalsContact N-O 3.09Å; Q284-A291 HydrophobicContact CB-CB 4.19Å; Q284-A291 HydrophobicContact CG-CB 4.07Å
285G54.6Low55.6Low58 Ų58105 Ų10560%0.59858%0.577SS**SBendtrans133.2173-176.400000112.1
286E47.9Very low54.4Low188 Ų188102.8 Ų102.888%0.87957%0.573SS**SBendtrans-93.3-5.5179.9-61.2-172.1140.100113.3
287H46.4Very low53.4Low156 Ų156106.2 Ų106.272%0.72260%0.602SS**SBendtrans-126.243-170.7-67.8-29.6000113.8E289H287-E289 PolarHBondContact O-N 3.3Å
288D47.6Very low52.8Low104 Ų104104.4 Ų104.456%0.55659%0.594SS**  trans57.515.3176.9-8818.6000116.2K283 F290K283-D288 WeakPolarHBondContact CE-OD1 3.46Å; K283-D288 IonicContact NZ-OD1 2.66Å; K283-D288 PolarHBondContact NZ-OD1 3.28Å; K283-D288 IonicContact NZ-OD2 2.75Å; K283-D288 PolarHBondContact NZ-OD2 3.02Å; D288-F290 PolarHBondContact O-N 3.09Å
289E45.3Very low53.1Low124 Ų124105.8 Ų105.858%0.57960%0.599SS**PPolyproline II helixtrans-60.7117.5172.3-68.4176.3-142.700110.7Q284 H287Q284-E289 PolarHBondContact N-O 3.08Å; Q284-E289 VanDerWaalsContact N-O 3.09Å; H287-E289 PolarHBondContact O-N 3.3Å
290F47.6Very low54Low129 Ų129105.3 Ų105.357%0.56659%0.59SS**BIsolated β-bridgetrans-68.7135.8163.1-62.1-74.9000108.2R281 D288 G292R281-F290 HydrophobicContact CB-CD1 4.14Å; D288-F290 PolarHBondContact O-N 3.09Å; F290-G292 PolarHBondContact O-N 3.11Å
291A45.2Very low55.3Low37 Ų37102.6 Ų102.631%0.30657%0.568SS.*PPolyproline II helixtrans-49.2120.8174.100000109.8Q284Q284-A291 HydrophobicContact CB-CB 4.19Å; Q284-A291 HydrophobicContact CG-CB 4.07Å
292G42.5Very low56.7Low68 Ų6897.6 Ų97.670%0.70155%0.549SS*.PPolyproline II helixtrans-53.5146.717800000110.3F290 M294F290-G292 PolarHBondContact O-N 3.11Å; G292-M294 PolarHBondContact O-N 3.21Å; G292-M294 VanDerWaalsContact O-N 3.15Å
293A42.9Very low58.7Low96 Ų9689.7 Ų89.779%0.79351%0.512SS*.PPolyproline II helixtrans-51.8127.4177.400000109.2
294M42.3Very low60.6Low172 Ų17284.2 Ų84.285%0.84749%0.488SS*.PPolyproline II helixtrans-50.2130.7174.8-83.7-170.2166.900108.1G292 A296G292-M294 PolarHBondContact O-N 3.21Å; G292-M294 VanDerWaalsContact O-N 3.15Å; M294-A296 PolarHBondContact O-N 3.46Å
295P45.2Very low62.9Low128 Ų12878.3 Ų78.383%0.83146%0.461SS*.  trans-51.9112.2-177.3-29.135.4000110.1A297P295-A297 PolarHBondContact O-N 2.84Å; P295-A297 VanDerWaalsContact O-N 3.16Å
296A51.6Low64.9Low59 Ų5975.7 Ų75.749%0.48843%0.433SS..PPolyproline II helixtrans-58.2123.4178.100000107.4D67 M294 E298D67-A296 HydrophobicContact CB-CB 4.43Å; M294-A296 PolarHBondContact O-N 3.46Å; A296-E298 PolarHBondContact O-N 2.76Å; A296-E298 VanDerWaalsContact O-N 3.09Å
297A57.3Low67Low80 Ų8067.8 Ų67.866%0.66140%0.398SS*.PPolyproline II helixtrans-58.9120178.500000108.1P295 Q299P295-A297 PolarHBondContact O-N 2.84Å; P295-A297 VanDerWaalsContact O-N 3.16Å; A297-Q299 PolarHBondContact O-N 2.98Å
298E67.4Low69.3Low121 Ų12160.4 Ų60.457%0.56536%0.364SS*.PPolyproline II helixtrans-53.1136.6-174.8-69.6178.5178.100110.9K25 A296 E300K25-E298 WeakPolarHBondContact CE-OE2 3.17Å; K25-E298 IonicContact NZ-OE1 2.64Å; K25-E298 PolarHBondContact NZ-OE1 3Å; K25-E298 IonicContact NZ-OE2 3.81Å; K25-E298 PolarHBondContact NZ-OE2 3.43Å; A296-E298 PolarHBondContact O-N 2.76Å; A296-E298 VanDerWaalsContact O-N 3.09Å; E298-E300 PolarHBondContact O-N 2.76Å; E298-E300 VanDerWaalsContact O-N 3.14Å
299Q77.3Confident71.6Confident34 Ų3455.4 Ų55.416%0.15934%0.337CS..  trans-76107.7-177.1-174.249.353.100109.6R87 E253 E254 A297R87-Q299 VanDerWaalsContact CZ-O 3.31Å; R87-Q299 PolarHBondContact NH1-O 3.42Å; R87-Q299 PolarHBondContact NH2-O 2.82Å; E253-Q299 HydrophobicContact CB-CG 4.23Å; E253-Q299 HydrophobicContact CG-CG 3.93Å; E253-Q299 VanDerWaalsContact OE2-CG 3.24Å; E253-Q299 WeakPolarHBondContact OE2-CG 3.43Å; E254-Q299 PolarHBondContact O-NE2 3.36Å; A297-Q299 PolarHBondContact O-N 2.98Å
300E88.7Confident73.9Confident78 Ų7849.9 Ų49.936%0.36431%0.311SS..  trans-79.7147.5-176.1-73.9159.2-136.700112.3H20 E254 K256 E298H20-E300 IonicContact ND1-OE2 3.58Å; E254-E300 PolarHBondContact N-O 3.1Å; K256-E300 IonicContact NZ-OE1 3.84Å; K256-E300 PolarHBondContact NZ-OE1 3.16Å; K256-E300 IonicContact NZ-OE2 2.83Å; K256-E300 PolarHBondContact NZ-OE2 3.23Å; E298-E300 PolarHBondContact O-N 2.76Å; E298-E300 VanDerWaalsContact O-N 3.14Å
301F92.4Very high76.1Confident2 Ų245.1 Ų45.11%0.00929%0.29CS..EExtended strand (participates in β ladder)trans-98.1149.1172.7-75-80.4000112.9C21 Y84 R87 L88 I91 I251 R252 E253C21-F301 HydrophobicContact CB-CB 3.94Å; C21-F301 WeakPolarHBondContact CB-O 3.34Å; C21-F301 PolarHBondContact N-O 3.09Å; C21-F301 VanDerWaalsContact SG-CB 3.51Å; C21-F301 PolarHBondContact SG-O 2.96Å; C21-F301 VanDerWaalsContact SG-O 3.36Å; Y84-F301 HydrophobicContact CE1-CE1 4.35Å; Y84-F301 AromaticContact CE1-CZ 3.92Å; Y84-F301 HydrophobicContact CE1-CZ 3.92Å; Y84-F301 HydrophobicContact CE2-CZ 4.44Å; Y84-F301 AromaticContact CZ-CZ 3.71Å; Y84-F301 WeakPolarHBondContact OH-CZ 3.28Å; R87-F301 HydrophobicContact CG-CE2 4.17Å; R87-F301 VanDerWaalsContact CZ-CE2 3.46Å; L88-F301 HydrophobicContact CD2-CD1 4.24Å; L88-F301 HydrophobicContact CD2-CE1 3.6Å; L88-F301 HydrophobicContact CD2-CE2 4.39Å; L88-F301 HydrophobicContact CD2-CZ 3.69Å; L88-F301 HydrophobicContact CG-CZ 4.5Å; I91-F301 HydrophobicContact CD1-CB 4.4Å; I91-F301 HydrophobicContact CD1-CD2 3.5Å; I91-F301 HydrophobicContact CD1-CE2 4.01Å; I91-F301 HydrophobicContact CD1-CG 4.12Å; I251-F301 HydrophobicContact CD1-CB 4.35Å; I251-F301 HydrophobicContact CD1-CD1 4.29Å; I251-F301 HydrophobicContact CD1-CG 4.43Å; I251-F301 HydrophobicContact CG1-CB 4.37Å; I251-F301 HydrophobicContact CG1-CD1 4.06Å; R252-F301 CarbonylContact O-C 3.54Å; R252-F301 WeakPolarHBondContact O-CA 3.24Å; R252-F301 WeakPolarHBondContact O-CD1 3.45Å; E253-F301 HydrophobicContact CG-CD1 4.26Å; E253-F301 HydrophobicContact CG-CE1 3.8Å; E253-F301 HydrophobicContact CG-CZ 4.27Å
302I93.8Very high78.5Confident3 Ų345.3 Ų45.32%0.01528%0.284CS..EExtended strand (participates in β ladder)trans-130.214417353.7168.1000111.1F7 I18 V19 R252 E254F7-I302 HydrophobicContact CE1-CD1 4.2Å; F7-I302 HydrophobicContact CZ-CD1 3.6Å; I18-I302 HydrophobicContact CG2-CB 4.19Å; I18-I302 HydrophobicContact CG2-CD1 4.29Å; I18-I302 HydrophobicContact CG2-CG2 4.18Å; V19-I302 CarbonylContact O-C 3.55Å; V19-I302 WeakPolarHBondContact O-CA 3.47Å; R252-I302 HydrophobicContact CG-CD1 4Å; R252-I302 HydrophobicContact CG-CG1 3.62Å; R252-I302 PolarHBondContact N-O 2.69Å; R252-I302 WeakPolarHBondContact O-CG1 3.29Å; R252-I302 PolarHBondContact O-N 3.16Å; E254-I302 HydrophobicContact CB-CD1 4.47Å; E254-I302 HydrophobicContact CB-CG1 4.41Å; E254-I302 HydrophobicContact CB-CG2 4.08Å; E254-I302 HydrophobicContact CG-CD1 4.4Å; E254-I302 HydrophobicContact CG-CG2 4.27Å
303F95.5Very high81Confident0 Ų042.1 Ų42.10%025%0.25CS..EExtended strand (participates in β ladder)trans-93.1139.2167.1-67.9-67.9000111.1I18 V19 C21 N44 F48 I91 V92 T249 I250 I251 F810I18-F303 WeakPolarHBondContact CA-O 3.2Å; V19-F303 HydrophobicContact CB-CB 4.49Å; V19-F303 PolarHBondContact N-O 2.91Å; V19-F303 PolarHBondContact O-N 3.33Å; C21-F303 HydrophobicContact CB-CD2 4.47Å; C21-F303 HydrophobicContact CB-CE2 4.13Å; C21-F303 WeakPolarHBondContact SG-CD2 3.43Å; C21-F303 WeakPolarHBondContact SG-CE2 3.06Å; N44-F303 HydrophobicContact CB-CE2 4.26Å; F48-F303 HydrophobicContact CE2-CE1 4.03Å; F48-F303 AromaticContact CE2-CZ 3.96Å; F48-F303 HydrophobicContact CE2-CZ 3.96Å; F48-F303 HydrophobicContact CZ-CD1 4.44Å; F48-F303 AromaticContact CZ-CE1 3.97Å; F48-F303 HydrophobicContact CZ-CE1 3.97Å; F48-F303 HydrophobicContact CZ-CZ 4.25Å; I91-F303 HydrophobicContact CG2-CE2 4.44Å; I91-F303 HydrophobicContact CG2-CZ 3.99Å; V92-F303 HydrophobicContact CG2-CE1 4.38Å; T249-F303 HydrophobicContact CG2-CB 3.85Å; T249-F303 HydrophobicContact CG2-CD1 3.58Å; T249-F303 HydrophobicContact CG2-CE1 4.46Å; T249-F303 HydrophobicContact CG2-CG 4.05Å; I250-F303 CarbonylContact O-C 3.53Å; I250-F303 VanDerWaalsContact O-CA 3.29Å; I250-F303 WeakPolarHBondContact O-CA 3.19Å; I251-F303 HydrophobicContact CB-CD1 3.85Å; I251-F303 HydrophobicContact CB-CE1 3.86Å; I251-F303 HydrophobicContact CD1-CD1 4.44Å; I251-F303 HydrophobicContact CD1-CE1 3.83Å; I251-F303 HydrophobicContact CD1-CZ 4.16Å; I251-F303 HydrophobicContact CG1-CD1 4.15Å; I251-F303 HydrophobicContact CG1-CE1 4.03Å; F303-F810 HydrophobicContact CB-CE2 4.25Å; F303-F810 HydrophobicContact CB-CZ 3.97Å; F303-F810 AromaticContact CD2-CE2 3.65Å; F303-F810 HydrophobicContact CD2-CE2 3.65Å; F303-F810 HydrophobicContact CD2-CZ 4.02Å; F303-F810 HydrophobicContact CE2-CE2 4.18Å; F303-F810 HydrophobicContact CG-CE2 4.07Å; F303-F810 AromaticContact CG-CZ 3.97Å; F303-F810 HydrophobicContact CG-CZ 3.97Å
304I94.9Very high83.5Confident0 Ų039.7 Ų39.70%023%0.227CC..EExtended strand (participates in β ladder)trans-109.7115167.4-51.8174.3000107.7F7 I17 I237 T249 I250 R252 L306F7-I304 HydrophobicContact CD2-CD1 3.9Å; F7-I304 HydrophobicContact CE2-CD1 3.51Å; F7-I304 HydrophobicContact CE2-CG1 4.04Å; I17-I304 HydrophobicContact CB-CG2 4.48Å; I17-I304 HydrophobicContact CD1-CG2 3.93Å; I17-I304 HydrophobicContact CG1-CG2 4.07Å; I237-I304 HydrophobicContact CD1-CD1 4.03Å; T249-I304 WeakPolarHBondContact CA-O 3.5Å; I250-I304 HydrophobicContact CB-CB 4.29Å; I250-I304 PolarHBondContact N-O 2.76Å; I250-I304 PolarHBondContact O-N 2.9Å; R252-I304 HydrophobicContact CG-CD1 4.47Å; I304-L306 HydrophobicContact CG2-CD2 4.24Å
305R94.6Very high85.8Confident8 Ų835.3 Ų35.33%0.0320%0.202CC..EExtended strand (participates in β ladder)trans-93106.2-175.7-59.8-177.4-64.7179.5-4.7111.1S16 I17 V19 C307 V308 L309 G809 F810S16-R305 PolarHBondContact O-NH2 3.36Å; I17-R305 PolarHBondContact O-N 3.2Å; V19-R305 VanDerWaalsContact CG2-CZ 3.48Å; R305-C307 VanDerWaalsContact C-N 3.28Å; R305-C307 PolarHBondContact O-N 3.49Å; R305-V308 HydrophobicContact CB-CB 4.32Å; R305-V308 HydrophobicContact CB-CG2 3.9Å; R305-V308 PolarHBondContact O-N 3.31Å; R305-L309 PolarHBondContact O-N 3.36Å; R305-L309 VanDerWaalsContact O-N 3.17Å; R305-G809 PolarHBondContact NH1-O 3.11Å; R305-F810 VanDerWaalsContact CD-CE1 3.46Å; R305-F810 HydrophobicContact CG-CE1 3.75Å; R305-F810 HydrophobicContact CG-CZ 3.85Å
306L95.7Very high88.1Confident3 Ų331.2 Ų31.22%0.01617%0.171CC..Hα-helixtrans-71-25-177-56.6-169.4000112.5I237 F248 I250 I304 V308 L309 R310I237-L306 HydrophobicContact CG2-CD2 4.02Å; F248-L306 HydrophobicContact CB-CB 4.35Å; F248-L306 HydrophobicContact CB-CD1 4.19Å; F248-L306 HydrophobicContact CD1-CD1 3.54Å; F248-L306 HydrophobicContact CD1-CG 4.24Å; F248-L306 HydrophobicContact CE1-CD1 4.27Å; F248-L306 HydrophobicContact CG-CD1 4.09Å; F248-L306 WeakPolarHBondContact O-CB 3.48Å; F248-L306 PolarHBondContact O-N 2.85Å; F248-L306 VanDerWaalsContact O-N 3.07Å; I250-L306 HydrophobicContact CD1-CD1 4.23Å; I250-L306 HydrophobicContact CD1-CD2 4.2Å; I250-L306 HydrophobicContact CD1-CG 4.49Å; I304-L306 HydrophobicContact CG2-CD2 4.24Å; L306-V308 VanDerWaalsContact C-N 3.31Å; L306-V308 PolarHBondContact O-N 3.12Å; L306-L309 HydrophobicContact CD2-CD2 4.15Å; L306-L309 WeakPolarHBondContact O-CB 3.34Å; L306-L309 PolarHBondContact O-N 3.12Å; L306-R310 WeakPolarHBondContact O-CB 3.15Å; L306-R310 WeakPolarHBondContact O-CG 3.45Å; L306-R310 PolarHBondContact O-N 3.19Å
307C93.4Very high90.1Very high21 Ų2128.4 Ų28.414%0.14215%0.148CC..Hα-helixtrans-58.8-39.6169.8580000112.8P246 R305 R310 E311 P787P246-C307 WeakPolarHBondContact O-CB 3.27Å; R305-C307 VanDerWaalsContact C-N 3.28Å; R305-C307 PolarHBondContact O-N 3.49Å; C307-R310 PolarHBondContact O-N 2.83Å; C307-E311 PolarHBondContact O-N 2.87Å; C307-E311 VanDerWaalsContact O-N 3.11Å; C307-P787 HydrophobicContact CB-CB 4.25Å; C307-P787 HydrophobicContact CB-CG 3.82Å
308V93.8Very high91.8Very high1 Ų128.4 Ų28.41%0.00614%0.14CC..Hα-helixtrans-76.1-33.8176.3-172.70000111.1I17 R305 L306 R310 E311 Y312 V790 L791I17-V308 HydrophobicContact CG2-CB 4.18Å; I17-V308 HydrophobicContact CG2-CG1 4.14Å; R305-V308 HydrophobicContact CB-CB 4.32Å; R305-V308 HydrophobicContact CB-CG2 3.9Å; R305-V308 PolarHBondContact O-N 3.31Å; L306-V308 VanDerWaalsContact C-N 3.31Å; L306-V308 PolarHBondContact O-N 3.12Å; V308-R310 VanDerWaalsContact C-N 3.3Å; V308-R310 PolarHBondContact O-N 3.43Å; V308-E311 WeakPolarHBondContact O-CB 3.43Å; V308-E311 PolarHBondContact O-N 2.88Å; V308-Y312 HydrophobicContact CG1-CD2 4.32Å; V308-Y312 HydrophobicContact CG1-CE2 4.13Å; V308-Y312 VanDerWaalsContact O-CD2 3.3Å; V308-Y312 WeakPolarHBondContact O-CD2 3.4Å; V308-Y312 PolarHBondContact O-N 3.07Å; V308-Y312 VanDerWaalsContact O-N 3.12Å; V308-V790 HydrophobicContact CG1-CB 4.2Å; V308-V790 HydrophobicContact CG1-CG1 4.19Å; V308-V790 HydrophobicContact CG2-CB 3.91Å; V308-V790 HydrophobicContact CG2-CG1 4.23Å; V308-V790 HydrophobicContact CG2-CG2 3.6Å; V308-L791 HydrophobicContact CG1-CD2 3.81Å; V308-L791 HydrophobicContact CG1-CG 4.17Å
309L95.4Very high92.8Very high0 Ų023.5 Ų23.50%012%0.117CC..Hα-helixtrans-61.4-41170.4-177.757.1000110.9L10 Y14 I17 I237 L241 R305 L306 E311 Y312 L313L10-L309 HydrophobicContact CD1-CD1 4.04Å; L10-L309 HydrophobicContact CD2-CD2 4.45Å; Y14-L309 HydrophobicContact CD2-CD1 3.37Å; Y14-L309 HydrophobicContact CE2-CD1 3.62Å; Y14-L309 HydrophobicContact CG-CD1 4.17Å; I17-L309 HydrophobicContact CG2-CB 4.02Å; I237-L309 HydrophobicContact CG2-CD2 3.73Å; L241-L309 HydrophobicContact CD1-CD2 3.97Å; R305-L309 PolarHBondContact O-N 3.36Å; R305-L309 VanDerWaalsContact O-N 3.17Å; L306-L309 HydrophobicContact CD2-CD2 4.15Å; L306-L309 WeakPolarHBondContact O-CB 3.34Å; L306-L309 PolarHBondContact O-N 3.12Å; L309-E311 VanDerWaalsContact C-N 3.33Å; L309-E311 PolarHBondContact O-N 3.34Å; L309-Y312 WeakPolarHBondContact O-CB 3.49Å; L309-Y312 PolarHBondContact O-N 2.94Å; L309-Y312 VanDerWaalsContact O-N 3.12Å; L309-L313 HydrophobicContact CD1-CD1 4.48Å; L309-L313 HydrophobicContact CD1-CG 4.28Å; L309-L313 HydrophobicContact CG-CD1 4.12Å; L309-L313 HydrophobicContact CG-CG 4.36Å; L309-L313 WeakPolarHBondContact O-CG 3.46Å; L309-L313 PolarHBondContact O-N 3.31Å
310R95.1Very high93.2Very high7 Ų725.7 Ų25.73%0.02614%0.141CC..Hα-helixtrans-63.5-34.1173.8-73.7164.858.380.25.4112.2L241 L306 C307 V308 S314 F328 E329L241-R310 HydrophobicContact CD2-CG 3.55Å; L306-R310 WeakPolarHBondContact O-CB 3.15Å; L306-R310 WeakPolarHBondContact O-CG 3.45Å; L306-R310 PolarHBondContact O-N 3.19Å; C307-R310 PolarHBondContact O-N 2.83Å; V308-R310 VanDerWaalsContact C-N 3.3Å; V308-R310 PolarHBondContact O-N 3.43Å; R310-S314 WeakPolarHBondContact O-CB 3.36Å; R310-S314 PolarHBondContact O-N 2.89Å; R310-F328 HydrophobicContact CB-CE1 4.14Å; R310-F328 HydrophobicContact CB-CZ 4.11Å; R310-F328 HydrophobicContact CG-CE1 4.44Å; R310-F328 HydrophobicContact CG-CZ 4.43Å; R310-F328 VanDerWaalsContact O-CZ 3.28Å; R310-F328 WeakPolarHBondContact O-CZ 2.92Å; R310-E329 IonicContact CZ-OE1 2.71Å; R310-E329 IonicContact CZ-OE2 2.76Å; R310-E329 IonicContact NH1-OE1 3.53Å; R310-E329 IonicContact NH1-OE2 3.79Å; R310-E329 PolarHBondContact NH1-OE2 3.28Å; R310-E329 VanDerWaalsContact NH2-CD 3.27Å; R310-E329 IonicContact NH2-OE1 3.18Å; R310-E329 PolarHBondContact NH2-OE1 3.1Å; R310-E329 IonicContact NH2-OE2 3.7Å; R310-E329 PolarHBondContact NH2-OE2 2.68Å
311E94Very high93.1Very high29 Ų2927.5 Ų27.514%0.13616%0.162CC..Hα-helixtrans-64-38.9169.2-72.1-173.9-108.500113.4C307 V308 L309 R315 K789 V790 L791C307-E311 PolarHBondContact O-N 2.87Å; C307-E311 VanDerWaalsContact O-N 3.11Å; V308-E311 WeakPolarHBondContact O-CB 3.43Å; V308-E311 PolarHBondContact O-N 2.88Å; L309-E311 VanDerWaalsContact C-N 3.33Å; L309-E311 PolarHBondContact O-N 3.34Å; E311-R315 WeakPolarHBondContact O-CG 3.48Å; E311-R315 PolarHBondContact O-N 2.95Å; E311-K789 WeakPolarHBondContact OE1-CA 3.34Å; E311-K789 WeakPolarHBondContact OE2-CB 3.43Å; E311-V790 PolarHBondContact OE1-N 2.8Å; E311-V790 PolarHBondContact OE2-N 2.8Å; E311-L791 HydrophobicContact CB-CD1 3.59Å; E311-L791 HydrophobicContact CB-CG 3.94Å; E311-L791 WeakPolarHBondContact OE2-CB 3.12Å; E311-L791 PolarHBondContact OE2-N 2.61Å; E311-L791 VanDerWaalsContact OE2-N 3.1Å
312Y94.9Very high93Very high42 Ų4228.6 Ų28.617%0.16517%0.168CC..Hα-helixtrans-68.1-49.3175.1-80.3-72.6000111.4Y14 S16 I17 V308 L309 S314 R315 E316 L791Y14-Y312 AromaticContact CD1-CD1 3.55Å; Y14-Y312 HydrophobicContact CD1-CD1 3.55Å; Y14-Y312 HydrophobicContact CD1-CD2 4Å; Y14-Y312 HydrophobicContact CD1-CE1 4.08Å; Y14-Y312 HydrophobicContact CD1-CE2 4.48Å; Y14-Y312 AromaticContact CD1-CG 3.49Å; Y14-Y312 HydrophobicContact CD1-CG 3.49Å; Y14-Y312 VanDerWaalsContact CD1-CG 3.49Å; Y14-Y312 HydrophobicContact CE1-CD1 4.22Å; Y14-Y312 HydrophobicContact CE1-CG 4.17Å; Y14-Y312 HydrophobicContact CG-CD1 4.35Å; Y14-Y312 AromaticContact CG-CD2 3.99Å; Y14-Y312 HydrophobicContact CG-CD2 3.99Å; Y14-Y312 HydrophobicContact CG-CE2 4.42Å; Y14-Y312 AromaticContact CG-CG 3.94Å; Y14-Y312 HydrophobicContact CG-CG 3.94Å; S16-Y312 WeakPolarHBondContact CB-OH 3.14Å; S16-Y312 PolarHBondContact N-OH 2.96Å; S16-Y312 PolarHBondContact OG-OH 2.78Å; I17-Y312 HydrophobicContact CG2-CD2 3.92Å; I17-Y312 HydrophobicContact CG2-CE2 3.96Å; V308-Y312 HydrophobicContact CG1-CD2 4.32Å; V308-Y312 HydrophobicContact CG1-CE2 4.13Å; V308-Y312 VanDerWaalsContact O-CD2 3.3Å; V308-Y312 WeakPolarHBondContact O-CD2 3.4Å; V308-Y312 PolarHBondContact O-N 3.07Å; V308-Y312 VanDerWaalsContact O-N 3.12Å; L309-Y312 WeakPolarHBondContact O-CB 3.49Å; L309-Y312 PolarHBondContact O-N 2.94Å; L309-Y312 VanDerWaalsContact O-N 3.12Å; Y312-S314 VanDerWaalsContact C-N 3.27Å; Y312-S314 PolarHBondContact O-N 2.69Å; Y312-R315 PolarHBondContact O-N 3.08Å; Y312-E316 PolarHBondContact O-N 3.41Å; Y312-L791 HydrophobicContact CD1-CD1 3.65Å; Y312-L791 HydrophobicContact CD2-CD1 3.7Å; Y312-L791 HydrophobicContact CD2-CD2 4.3Å; Y312-L791 HydrophobicContact CE1-CD1 3.84Å; Y312-L791 HydrophobicContact CE1-CD2 4.23Å; Y312-L791 HydrophobicContact CE2-CD1 3.89Å; Y312-L791 HydrophobicContact CE2-CD2 3.67Å; Y312-L791 HydrophobicContact CE2-CG 4.4Å; Y312-L791 HydrophobicContact CG-CD1 3.6Å
313L95.3Very high92.9Very high0 Ų032.8 Ų32.80%020%0.196CC..Hα-helixtrans-62.3-33.8177.9-67.4178.1000111.8L241 L309 R315 E316 L317 F328 W335L241-L313 HydrophobicContact CD1-CD1 4.08Å; L309-L313 HydrophobicContact CD1-CD1 4.48Å; L309-L313 HydrophobicContact CD1-CG 4.28Å; L309-L313 HydrophobicContact CG-CD1 4.12Å; L309-L313 HydrophobicContact CG-CG 4.36Å; L309-L313 WeakPolarHBondContact O-CG 3.46Å; L309-L313 PolarHBondContact O-N 3.31Å; L313-R315 PolarHBondContact O-N 2.94Å; L313-E316 PolarHBondContact O-N 3.05Å; L313-L317 HydrophobicContact CB-CD1 4.06Å; L313-L317 HydrophobicContact CD2-CD1 4.41Å; L313-L317 WeakPolarHBondContact O-CB 3.01Å; L313-L317 VanDerWaalsContact O-CG 3.27Å; L313-L317 WeakPolarHBondContact O-CG 3.49Å; L313-L317 PolarHBondContact O-N 3.2Å; L313-F328 HydrophobicContact CB-CE2 4.21Å; L313-F328 HydrophobicContact CB-CZ 4.3Å; L313-W335 HydrophobicContact CD1-CD2 4.1Å; L313-W335 HydrophobicContact CD1-CE3 3.87Å; L313-W335 HydrophobicContact CD1-CZ3 4.08Å; L313-W335 HydrophobicContact CD2-CD2 3.85Å; L313-W335 HydrophobicContact CD2-CE3 4.4Å; L313-W335 HydrophobicContact CD2-CG 4.19Å; L313-W335 HydrophobicContact CD2-CH2 4.49Å; L313-W335 HydrophobicContact CD2-CZ2 3.96Å
314S93.9Very high92.8Very high45 Ų4534.4 Ų34.432%0.31520%0.203SC..Hα-helixtrans-60.2-44.9174.61770000111.7R310 Y312 T318 F328R310-S314 WeakPolarHBondContact O-CB 3.36Å; R310-S314 PolarHBondContact O-N 2.89Å; Y312-S314 VanDerWaalsContact C-N 3.27Å; Y312-S314 PolarHBondContact O-N 2.69Å; S314-T318 WeakPolarHBondContact O-CB 3.41Å; S314-T318 PolarHBondContact O-N 2.78Å; S314-T318 VanDerWaalsContact O-N 3.15Å; S314-T318 PolarHBondContact O-OG1 3.15Å; S314-F328 VanDerWaalsContact N-CE2 3.34Å
315R91.9Very high92.7Very high81 Ų8140 Ų4031%0.30624%0.239SC..Hα-helixtrans-67.2-42.7175.5-62161.6-173.1-111.31.5111.8E311 Y312 L313 L791 K792 E794E311-R315 WeakPolarHBondContact O-CG 3.48Å; E311-R315 PolarHBondContact O-N 2.95Å; Y312-R315 PolarHBondContact O-N 3.08Å; L313-R315 PolarHBondContact O-N 2.94Å; R315-L791 PolarHBondContact NH2-O 3.36Å; R315-K792 PolarHBondContact NH1-O 3.43Å; R315-K792 PolarHBondContact NH2-O 3.19Å; R315-E794 VanDerWaalsContact CD-OE1 3.28Å; R315-E794 WeakPolarHBondContact CD-OE1 3.19Å; R315-E794 WeakPolarHBondContact CG-OE1 3.34Å; R315-E794 IonicContact CZ-OE1 3.8Å; R315-E794 IonicContact NE-OE1 3.84Å; R315-E794 IonicContact NH1-OE1 2.6Å; R315-E794 PolarHBondContact NH1-OE1 2.86Å
316E92.6Very high92.7Very high42 Ų4243.2 Ų43.220%0.19625%0.253CS..Hα-helixtrans-74.6-33.7-174.7-172.1163.9135.300113.2K13 Y14 Y312 L313 V364 K368K13-E316 WeakPolarHBondContact CE-OE2 3.5Å; K13-E316 IonicContact NZ-OE1 2.74Å; K13-E316 PolarHBondContact NZ-OE1 3.29Å; K13-E316 IonicContact NZ-OE2 2.9Å; K13-E316 PolarHBondContact NZ-OE2 3.04Å; Y14-E316 PolarHBondContact OH-OE2 2.95Å; Y312-E316 PolarHBondContact O-N 3.41Å; L313-E316 PolarHBondContact O-N 3.05Å; E316-V364 HydrophobicContact CG-CG1 4.13Å; E316-K368 WeakPolarHBondContact O-CE 3.42Å; E316-K368 PolarHBondContact O-NZ 3.42Å
317L93.8Very high92.6Very high0 Ų046.2 Ų46.20%027%0.27CS..Hα-helixtrans-97.2-8.1-176.4-57.5173000113.6L313 M319 F326 S331 W335 V364L313-L317 HydrophobicContact CB-CD1 4.06Å; L313-L317 HydrophobicContact CD2-CD1 4.41Å; L313-L317 WeakPolarHBondContact O-CB 3.01Å; L313-L317 VanDerWaalsContact O-CG 3.27Å; L313-L317 WeakPolarHBondContact O-CG 3.49Å; L313-L317 PolarHBondContact O-N 3.2Å; L317-M319 WeakPolarHBondContact O-CE 3.09Å; L317-M319 PolarHBondContact O-N 3.07Å; L317-F326 VanDerWaalsContact O-CE2 3.25Å; L317-F326 WeakPolarHBondContact O-CE2 3.28Å; L317-S331 WeakPolarHBondContact CD1-O 3.23Å; L317-W335 HydrophobicContact CD1-CB 3.89Å; L317-W335 HydrophobicContact CD1-CG 4.23Å; L317-V364 HydrophobicContact CD2-CG1 4.08Å; L317-V364 HydrophobicContact CD2-CG2 4.42Å
318T92.2Very high92.7Very high79 Ų7946.9 Ų46.949%0.48527%0.27SS..  trans-59.3128.7172.5-72.20000110.5S314S314-T318 WeakPolarHBondContact O-CB 3.41Å; S314-T318 PolarHBondContact O-N 2.78Å; S314-T318 VanDerWaalsContact O-N 3.15Å; S314-T318 PolarHBondContact O-OG1 3.15Å
319M89.4Confident92.8Very high18 Ų1847.7 Ų47.79%0.08927%0.274CS..  trans-129.3131.4179.8-69.8172.6-77.600109.9L317 L322 F326 Y367 K368 V371L317-M319 WeakPolarHBondContact O-CE 3.09Å; L317-M319 PolarHBondContact O-N 3.07Å; M319-L322 HydrophobicContact CB-CD1 3.98Å; M319-L322 HydrophobicContact CB-CD2 4.17Å; M319-L322 HydrophobicContact CB-CG 3.96Å; M319-L322 HydrophobicContact CE-CD1 4.28Å; M319-L322 HydrophobicContact SD-CD2 4.25Å; M319-F326 HydrophobicContact CE-CD2 4.5Å; M319-F326 HydrophobicContact CE-CE2 4.17Å; M319-Y367 HydrophobicContact CE-CE1 3.6Å; M319-Y367 HydrophobicContact SD-CE1 4.26Å; M319-K368 HydrophobicContact CG-CG 4.03Å; M319-K368 HydrophobicContact SD-CB 4.2Å; M319-K368 HydrophobicContact SD-CG 3.78Å; M319-V371 HydrophobicContact CE-CG1 3.97Å; M319-V371 HydrophobicContact SD-CG1 3.47Å; M319-V371 WeakPolarHBondContact SD-CG1 3.45Å
320A85.9Confident92.8Very high80 Ų8049.6 Ų49.666%0.66128%0.281SS*.SBendtrans-91.5153.7173.400000110.5L322 H372A320-L322 VanDerWaalsContact C-N 3.32Å; A320-L322 PolarHBondContact O-N 3.11Å; A320-H372 PolarHBondContact O-NE2 3.42Å
321S86.9Confident92.8Very high116 Ų11649.2 Ų49.281%0.81128%0.28SS*.SBendtrans63.625.8173.5-50.60000116.2
322L90.3Very high92.9Very high25 Ų2547.9 Ų47.913%0.13127%0.273CS..  trans-62.3146.4167.8-69174.4000111.4M319 A320 F324 F326 V371M319-L322 HydrophobicContact CB-CD1 3.98Å; M319-L322 HydrophobicContact CB-CD2 4.17Å; M319-L322 HydrophobicContact CB-CG 3.96Å; M319-L322 HydrophobicContact CE-CD1 4.28Å; M319-L322 HydrophobicContact SD-CD2 4.25Å; A320-L322 VanDerWaalsContact C-N 3.32Å; A320-L322 PolarHBondContact O-N 3.11Å; L322-F324 HydrophobicContact CB-CE1 4.46Å; L322-F324 HydrophobicContact CB-CZ 4.47Å; L322-F324 WeakPolarHBondContact CB-O 3.41Å; L322-F324 HydrophobicContact CD1-CE2 3.91Å; L322-F324 HydrophobicContact CD1-CZ 3.97Å; L322-F324 HydrophobicContact CD2-CE1 4.22Å; L322-F324 HydrophobicContact CD2-CZ 4.01Å; L322-F324 HydrophobicContact CG-CZ 4.4Å; L322-F324 PolarHBondContact O-N 2.95Å; L322-F326 HydrophobicContact CD1-CB 4.22Å; L322-F326 HydrophobicContact CD1-CD2 3.87Å; L322-V371 HydrophobicContact CD2-CG1 3.91Å
323P91.1Very high93Very high92 Ų9245.9 Ų45.960%0.59727%0.266SS*.SBendtrans-77.56.2175.531.2-33.1000113.9
324F92.9Very high93.1Very high34 Ų3445.9 Ų45.915%0.14927%0.266CS..SBendtrans-143.2159.817857.4-91.1000109.7L322 F326 V371 G376 Y377L322-F324 HydrophobicContact CB-CE1 4.46Å; L322-F324 HydrophobicContact CB-CZ 4.47Å; L322-F324 WeakPolarHBondContact CB-O 3.41Å; L322-F324 HydrophobicContact CD1-CE2 3.91Å; L322-F324 HydrophobicContact CD1-CZ 3.97Å; L322-F324 HydrophobicContact CD2-CE1 4.22Å; L322-F324 HydrophobicContact CD2-CZ 4.01Å; L322-F324 HydrophobicContact CG-CZ 4.4Å; L322-F324 PolarHBondContact O-N 2.95Å; F324-F326 PolarHBondContact O-N 3.4Å; F324-V371 HydrophobicContact CE1-CG2 4.39Å; F324-V371 HydrophobicContact CZ-CG2 3.93Å; F324-G376 VanDerWaalsContact CE1-CA 3.46Å; F324-G376 VanDerWaalsContact CE1-N 3.27Å; F324-Y377 HydrophobicContact CD2-CE2 4.07Å; F324-Y377 HydrophobicContact CE2-CD2 4.16Å; F324-Y377 HydrophobicContact CE2-CE1 4.39Å; F324-Y377 AromaticContact CE2-CE2 3.59Å; F324-Y377 HydrophobicContact CE2-CE2 3.59Å; F324-Y377 AromaticContact CE2-CZ 3.72Å
325P92.7Very high93.1Very high118 Ų11843.8 Ų43.877%0.76625%0.251SS*.  trans-61.3133.3-179.8-22.834.3000112.6D327P325-D327 PolarHBondContact O-N 2.9Å
326F94.7Very high93.3Very high74 Ų7439.9 Ų39.933%0.32524%0.236SC..  trans-74.2118.7175.8-179.9-100.7000111.3L317 M319 L322 F324 F328 S331L317-F326 VanDerWaalsContact O-CE2 3.25Å; L317-F326 WeakPolarHBondContact O-CE2 3.28Å; M319-F326 HydrophobicContact CE-CD2 4.5Å; M319-F326 HydrophobicContact CE-CE2 4.17Å; L322-F326 HydrophobicContact CD1-CB 4.22Å; L322-F326 HydrophobicContact CD1-CD2 3.87Å; F324-F326 PolarHBondContact O-N 3.4Å; F326-F328 HydrophobicContact CE1-CB 4.19Å; F326-S331 WeakPolarHBondContact CE2-OG 3.21Å
327D94.7Very high93.5Very high67 Ų6737.9 Ų37.936%0.35823%0.227SC..  trans-110127.3169.2-175.6-20.5000109.1P325 E329 R330 S331 Y377P325-D327 PolarHBondContact O-N 2.9Å; D327-E329 PolarHBondContact OD1-N 2.88Å; D327-R330 HydrophobicContact CB-CB 4.09Å; D327-R330 HydrophobicContact CB-CG 4.09Å; D327-R330 PolarHBondContact OD1-N 2.97Å; D327-R330 VanDerWaalsContact OD2-CG 3.29Å; D327-R330 WeakPolarHBondContact OD2-CG 3.3Å; D327-S331 PolarHBondContact O-N 2.86Å; D327-S331 PolarHBondContact O-OG 3.5Å; D327-Y377 HydrophobicContact CB-CE2 4.16Å; D327-Y377 PolarHBondContact N-OH 3.17Å; D327-Y377 PolarHBondContact O-OH 3.17Å
328F94.8Very high93.5Very high35 Ų3538 Ų3815%0.15423%0.227CC..Hα-helixtrans-75.1-37.9179.3174-115.9000112.6R310 L313 S314 F326 R330 S331 V332R310-F328 HydrophobicContact CB-CE1 4.14Å; R310-F328 HydrophobicContact CB-CZ 4.11Å; R310-F328 HydrophobicContact CG-CE1 4.44Å; R310-F328 HydrophobicContact CG-CZ 4.43Å; R310-F328 VanDerWaalsContact O-CZ 3.28Å; R310-F328 WeakPolarHBondContact O-CZ 2.92Å; L313-F328 HydrophobicContact CB-CE2 4.21Å; L313-F328 HydrophobicContact CB-CZ 4.3Å; S314-F328 VanDerWaalsContact N-CE2 3.34Å; F326-F328 HydrophobicContact CE1-CB 4.19Å; F328-R330 VanDerWaalsContact C-N 3.33Å; F328-R330 PolarHBondContact O-N 3.25Å; F328-S331 WeakPolarHBondContact O-CA 3.4Å; F328-S331 WeakPolarHBondContact O-CB 3.41Å; F328-S331 PolarHBondContact O-N 2.78Å; F328-S331 VanDerWaalsContact O-N 3.09Å; F328-V332 HydrophobicContact CD1-CG2 4.5Å; F328-V332 HydrophobicContact CD2-CG2 4.3Å; F328-V332 HydrophobicContact CE1-CG2 3.9Å; F328-V332 HydrophobicContact CE2-CG2 3.63Å; F328-V332 HydrophobicContact CZ-CG2 3.42Å; F328-V332 VanDerWaalsContact CZ-CG2 3.42Å; F328-V332 PolarHBondContact O-N 3.21Å
329E95.1Very high93.5Very high17 Ų1734.4 Ų34.48%0.07921%0.205CC..Hα-helixtrans-64.5-43.7-177.7-58.1-50.7136.600110.3H244 R310 D327 S331 V332 D333 L780H244-E329 IonicContact CE1-OE2 3.62Å; H244-E329 IonicContact CG-OE2 2.73Å; H244-E329 IonicContact ND1-OE2 3.7Å; H244-E329 PolarHBondContact ND1-OE2 3.37Å; R310-E329 IonicContact CZ-OE1 2.71Å; R310-E329 IonicContact CZ-OE2 2.76Å; R310-E329 IonicContact NH1-OE1 3.53Å; R310-E329 IonicContact NH1-OE2 3.79Å; R310-E329 PolarHBondContact NH1-OE2 3.28Å; R310-E329 VanDerWaalsContact NH2-CD 3.27Å; R310-E329 IonicContact NH2-OE1 3.18Å; R310-E329 PolarHBondContact NH2-OE1 3.1Å; R310-E329 IonicContact NH2-OE2 3.7Å; R310-E329 PolarHBondContact NH2-OE2 2.68Å; D327-E329 PolarHBondContact OD1-N 2.88Å; E329-S331 PolarHBondContact O-N 3.42Å; E329-V332 WeakPolarHBondContact O-CA 3.05Å; E329-V332 WeakPolarHBondContact O-CB 3.32Å; E329-V332 PolarHBondContact O-N 2.94Å; E329-D333 PolarHBondContact O-N 2.9Å; E329-L780 HydrophobicContact CG-CG 4.31Å; E329-L780 WeakPolarHBondContact OE1-CD1 3.48Å
330R95.6Very high93.5Very high40 Ų4033.7 Ų33.715%0.15120%0.202CC..Hα-helixtrans-66.8-25.1175.1-61.8-67-63.6-76-4.8113.5D327 F328 D334 Y377 T379 Q380D327-R330 HydrophobicContact CB-CB 4.09Å; D327-R330 HydrophobicContact CB-CG 4.09Å; D327-R330 PolarHBondContact OD1-N 2.97Å; D327-R330 VanDerWaalsContact OD2-CG 3.29Å; D327-R330 WeakPolarHBondContact OD2-CG 3.3Å; F328-R330 VanDerWaalsContact C-N 3.33Å; F328-R330 PolarHBondContact O-N 3.25Å; R330-D334 PolarHBondContact O-N 3.19Å; R330-Y377 HydrophobicContact CB-CD1 3.87Å; R330-Y377 HydrophobicContact CB-CD2 3.62Å; R330-Y377 HydrophobicContact CB-CE1 4.03Å; R330-Y377 HydrophobicContact CB-CE2 3.79Å; R330-Y377 HydrophobicContact CB-CG 3.68Å; R330-Y377 HydrophobicContact CG-CD2 4.35Å; R330-Y377 WeakPolarHBondContact O-CD1 3.02Å; R330-T379 PolarHBondContact NE-O 3.33Å; R330-T379 VanDerWaalsContact NE-O 3.16Å; R330-T379 PolarHBondContact NH2-O 3.49Å; R330-Q380 VanDerWaalsContact NH2-CB 3.3Å
331S95.4Very high93.7Very high0 Ų030 Ų300%017%0.171CC..Hα-helixtrans-74.1-31.4170.6-56.10000112.1L317 F326 D327 F328 E329 W335 Y377L317-S331 WeakPolarHBondContact CD1-O 3.23Å; F326-S331 WeakPolarHBondContact CE2-OG 3.21Å; D327-S331 PolarHBondContact O-N 2.86Å; D327-S331 PolarHBondContact O-OG 3.5Å; F328-S331 WeakPolarHBondContact O-CA 3.4Å; F328-S331 WeakPolarHBondContact O-CB 3.41Å; F328-S331 PolarHBondContact O-N 2.78Å; F328-S331 VanDerWaalsContact O-N 3.09Å; E329-S331 PolarHBondContact O-N 3.42Å; S331-W335 WeakPolarHBondContact O-CB 3.34Å; S331-W335 PolarHBondContact O-N 2.84Å; S331-W335 VanDerWaalsContact O-N 3.12Å; S331-Y377 WeakPolarHBondContact OG-CE1 3.44Å
332V96.4Very high93.6Very high0 Ų024.7 Ų24.70%013%0.133CC..Hα-helixtrans-68.9-41.2172.4175.10000110.5L241 F328 E329 D334 W335 V336L241-V332 HydrophobicContact CB-CG1 4.03Å; L241-V332 HydrophobicContact CD2-CG1 4.29Å; F328-V332 HydrophobicContact CD1-CG2 4.5Å; F328-V332 HydrophobicContact CD2-CG2 4.3Å; F328-V332 HydrophobicContact CE1-CG2 3.9Å; F328-V332 HydrophobicContact CE2-CG2 3.63Å; F328-V332 HydrophobicContact CZ-CG2 3.42Å; F328-V332 VanDerWaalsContact CZ-CG2 3.42Å; F328-V332 PolarHBondContact O-N 3.21Å; E329-V332 WeakPolarHBondContact O-CA 3.05Å; E329-V332 WeakPolarHBondContact O-CB 3.32Å; E329-V332 PolarHBondContact O-N 2.94Å; V332-D334 PolarHBondContact O-N 3.41Å; V332-W335 WeakPolarHBondContact O-CB 3.48Å; V332-W335 PolarHBondContact O-N 2.97Å; V332-W335 VanDerWaalsContact O-N 3.1Å; V332-V336 HydrophobicContact CG1-CG2 4.44Å; V332-V336 WeakPolarHBondContact O-CG2 3.33Å; V332-V336 PolarHBondContact O-N 3.31Å
333D97.1Very high93Very high1 Ų123.6 Ų23.61%0.00513%0.128CC..Hα-helixtrans-57.4-49.3175.3-62.5-16.3000112H244 E329 W335 V336 F337 T379 Y564H244-D333 IonicContact CE1-OD1 3.36Å; H244-D333 PolarHBondContact CE1-OD1 2.82Å; H244-D333 IonicContact NE2-OD1 2.67Å; H244-D333 PolarHBondContact NE2-OD1 3.15Å; H244-D333 VanDerWaalsContact NE2-OD1 3.08Å; E329-D333 PolarHBondContact O-N 2.9Å; D333-W335 PolarHBondContact O-N 2.99Å; D333-V336 PolarHBondContact O-N 2.91Å; D333-F337 WeakPolarHBondContact O-CB 3.36Å; D333-F337 PolarHBondContact O-N 2.86Å; D333-T379 WeakPolarHBondContact CB-OG1 3.33Å; D333-Y564 WeakPolarHBondContact CA-OH 3.49Å; D333-Y564 WeakPolarHBondContact OD1-CE1 3.45Å; D333-Y564 VanDerWaalsContact OD1-CZ 3.3Å; D333-Y564 PolarHBondContact OD1-OH 2.93Å
334D96.6Very high92.9Very high0 Ų019.7 Ų19.70%010%0.102CC..Hα-helixtrans-63.3-30.8176.8-77.54.4000112.1R330 V332 M338 Y367 Y377 L378 T379R330-D334 PolarHBondContact O-N 3.19Å; V332-D334 PolarHBondContact O-N 3.41Å; D334-M338 WeakPolarHBondContact O-CB 3.41Å; D334-M338 VanDerWaalsContact O-CG 3.28Å; D334-M338 WeakPolarHBondContact O-CG 3.27Å; D334-M338 PolarHBondContact O-N 3.04Å; D334-Y367 HydrophobicContact CB-CE2 3.99Å; D334-Y367 WeakPolarHBondContact OD2-CE2 3.31Å; D334-Y367 PolarHBondContact OD2-OH 3.06Å; D334-Y377 VanDerWaalsContact OD2-CA 3.26Å; D334-Y377 WeakPolarHBondContact OD2-CA 3.46Å; D334-Y377 WeakPolarHBondContact OD2-CB 3.47Å; D334-Y377 WeakPolarHBondContact OD2-CD1 3.49Å; D334-L378 HydrophobicContact CB-CD1 4.31Å; D334-L378 HydrophobicContact CB-CG 4.4Å; D334-L378 VanDerWaalsContact CG-N 3.31Å; D334-L378 WeakPolarHBondContact OD1-CB 3.42Å; D334-L378 PolarHBondContact OD1-N 2.58Å; D334-L378 VanDerWaalsContact OD1-N 3.11Å; D334-L378 WeakPolarHBondContact OD2-CG 3.38Å; D334-L378 PolarHBondContact OD2-N 2.95Å; D334-T379 PolarHBondContact N-OG1 2.85Å; D334-T379 WeakPolarHBondContact OD1-CB 3.48Å; D334-T379 PolarHBondContact OD1-N 3.09Å; D334-T379 PolarHBondContact OD1-OG1 3.46Å
335W95.9Very high92.6Very high0 Ų019.8 Ų19.80%010%0.104CC..Hα-helixtrans-73.3-41.9175.6-175.584.5000113.1F6 W9 M238 L241 L313 L317 S331 V332 D333 M338 C339 I360F6-W335 HydrophobicContact CZ-CH2 4.26Å; W9-W335 HydrophobicContact CH2-CZ2 4.13Å; W9-W335 HydrophobicContact CZ3-CZ2 4.22Å; M238-W335 HydrophobicContact CE-CH2 3.88Å; M238-W335 HydrophobicContact CE-CZ3 3.86Å; M238-W335 HydrophobicContact SD-CE3 4.23Å; M238-W335 HydrophobicContact SD-CH2 4.21Å; M238-W335 HydrophobicContact SD-CZ3 3.56Å; M238-W335 VanDerWaalsContact SD-CZ3 3.56Å; L241-W335 HydrophobicContact CD1-CE3 4.06Å; L241-W335 HydrophobicContact CD1-CZ3 3.59Å; L313-W335 HydrophobicContact CD1-CD2 4.1Å; L313-W335 HydrophobicContact CD1-CE3 3.87Å; L313-W335 HydrophobicContact CD1-CZ3 4.08Å; L313-W335 HydrophobicContact CD2-CD2 3.85Å; L313-W335 HydrophobicContact CD2-CE3 4.4Å; L313-W335 HydrophobicContact CD2-CG 4.19Å; L313-W335 HydrophobicContact CD2-CH2 4.49Å; L313-W335 HydrophobicContact CD2-CZ2 3.96Å; L317-W335 HydrophobicContact CD1-CB 3.89Å; L317-W335 HydrophobicContact CD1-CG 4.23Å; S331-W335 WeakPolarHBondContact O-CB 3.34Å; S331-W335 PolarHBondContact O-N 2.84Å; S331-W335 VanDerWaalsContact O-N 3.12Å; V332-W335 WeakPolarHBondContact O-CB 3.48Å; V332-W335 PolarHBondContact O-N 2.97Å; V332-W335 VanDerWaalsContact O-N 3.1Å; D333-W335 PolarHBondContact O-N 2.99Å; W335-M338 HydrophobicContact CB-CE 4.46Å; W335-M338 PolarHBondContact O-N 3.23Å; W335-C339 PolarHBondContact O-N 3.3Å; W335-C339 VanDerWaalsContact O-N 3.12Å; W335-C339 PolarHBondContact O-SG 2.95Å; W335-I360 HydrophobicContact CZ2-CG2 4.45Å
336V95.6Very high92.5Very high0 Ų014.8 Ų14.80%07%0.07CC..Hα-helixtrans-59.5-48.7172166.70000109.6M238 L241 V332 D333 M338 C339 F340 Y564M238-V336 HydrophobicContact CB-CG1 4.11Å; M238-V336 HydrophobicContact SD-CG2 4.12Å; L241-V336 HydrophobicContact CB-CG2 4.18Å; L241-V336 HydrophobicContact CD1-CG2 4.46Å; V332-V336 HydrophobicContact CG1-CG2 4.44Å; V332-V336 WeakPolarHBondContact O-CG2 3.33Å; V332-V336 PolarHBondContact O-N 3.31Å; D333-V336 PolarHBondContact O-N 2.91Å; V336-M338 PolarHBondContact O-N 2.9Å; V336-C339 WeakPolarHBondContact O-CB 3.45Å; V336-C339 PolarHBondContact O-N 3.3Å; V336-C339 VanDerWaalsContact O-N 3.11Å; V336-F340 HydrophobicContact CG1-CE1 4.22Å; V336-F340 HydrophobicContact CG1-CE2 4.34Å; V336-F340 HydrophobicContact CG1-CZ 3.73Å; V336-Y564 HydrophobicContact CG1-CE2 4.26Å
337F95.6Very high92.4Very high0 Ų011.5 Ų11.50%06%0.056CC..Hα-helixtrans-61.7-40.2176.9-176.7-106.1000113D333 C339 F340 F341 L378 T379 V384 V389 L556 L560D333-F337 WeakPolarHBondContact O-CB 3.36Å; D333-F337 PolarHBondContact O-N 2.86Å; F337-C339 VanDerWaalsContact C-N 3.26Å; F337-C339 PolarHBondContact O-N 2.88Å; F337-F340 AromaticContact CD2-CD2 3.91Å; F337-F340 HydrophobicContact CD2-CD2 3.91Å; F337-F340 HydrophobicContact CD2-CE2 4.32Å; F337-F340 WeakPolarHBondContact O-CB 3.38Å; F337-F340 PolarHBondContact O-N 3.11Å; F337-F341 AromaticContact CD1-CE2 3.88Å; F337-F341 HydrophobicContact CD1-CE2 3.88Å; F337-F341 HydrophobicContact CD1-CZ 4.43Å; F337-F341 AromaticContact CE1-CE2 3.5Å; F337-F341 HydrophobicContact CE1-CE2 3.5Å; F337-F341 AromaticContact CE1-CZ 3.6Å; F337-F341 HydrophobicContact CE1-CZ 3.6Å; F337-F341 HydrophobicContact CZ-CE2 4.05Å; F337-F341 AromaticContact CZ-CZ 3.86Å; F337-F341 HydrophobicContact CZ-CZ 3.86Å; F337-L378 HydrophobicContact CD1-CD1 4.38Å; F337-T379 HydrophobicContact CB-CG2 3.67Å; F337-T379 HydrophobicContact CD1-CG2 3.91Å; F337-T379 HydrophobicContact CD2-CG2 4.15Å; F337-T379 HydrophobicContact CG-CG2 3.63Å; F337-V384 HydrophobicContact CD2-CG2 4.35Å; F337-V384 HydrophobicContact CE1-CG1 4.17Å; F337-V384 HydrophobicContact CE2-CG1 4.22Å; F337-V384 HydrophobicContact CE2-CG2 3.65Å; F337-V384 HydrophobicContact CZ-CG1 3.68Å; F337-V384 HydrophobicContact CZ-CG2 3.98Å; F337-V389 HydrophobicContact CE1-CG1 4.44Å; F337-V389 HydrophobicContact CE1-CG2 3.58Å; F337-V389 HydrophobicContact CZ-CG2 4.05Å; F337-L556 HydrophobicContact CE2-CB 4.05Å; F337-L556 HydrophobicContact CE2-CD2 4.47Å; F337-L556 HydrophobicContact CZ-CB 4.18Å; F337-L560 HydrophobicContact CB-CD1 4.2Å; F337-L560 HydrophobicContact CD2-CB 4.09Å; F337-L560 HydrophobicContact CD2-CD1 4.06Å; F337-L560 HydrophobicContact CD2-CD2 3.87Å; F337-L560 HydrophobicContact CD2-CG 4.2Å; F337-L560 HydrophobicContact CE2-CB 4.41Å; F337-L560 HydrophobicContact CE2-CD2 4.36Å; F337-L560 HydrophobicContact CG-CD2 4.5Å
338M93.7Very high92.2Very high3 Ų310 Ų102%0.0155%0.05CC..Hα-helixtrans-59.9-34.9173.9-86.3-169.7-71.900112.9D334 W335 V336 F340 F341 L363 V364 Y367D334-M338 WeakPolarHBondContact O-CB 3.41Å; D334-M338 VanDerWaalsContact O-CG 3.28Å; D334-M338 WeakPolarHBondContact O-CG 3.27Å; D334-M338 PolarHBondContact O-N 3.04Å; W335-M338 HydrophobicContact CB-CE 4.46Å; W335-M338 PolarHBondContact O-N 3.23Å; V336-M338 PolarHBondContact O-N 2.9Å; M338-F340 VanDerWaalsContact C-N 3.27Å; M338-F340 PolarHBondContact O-N 3.24Å; M338-F341 PolarHBondContact O-N 2.78Å; M338-L363 WeakPolarHBondContact O-CD1 3.38Å; M338-L363 HydrophobicContact SD-CB 4.01Å; M338-V364 HydrophobicContact CE-CG2 4.3Å; M338-Y367 HydrophobicContact CE-CD1 3.76Å; M338-Y367 HydrophobicContact CE-CD2 4.23Å; M338-Y367 HydrophobicContact CE-CE1 4.37Å; M338-Y367 HydrophobicContact CE-CG 3.67Å; M338-Y367 WeakPolarHBondContact SD-CB 3.48Å; M338-Y367 HydrophobicContact SD-CD2 4.45Å; M338-Y367 HydrophobicContact SD-CG 3.94Å
339C92.3Very high91.9Very high2 Ų211.3 Ų11.31%0.0146%0.056CC..Hα-helixtrans-65.7-30.2179.5-68.80000112.7M238 W335 V336 F337 F341 V342M238-C339 HydrophobicContact CE-CB 3.53Å; M238-C339 VanDerWaalsContact CE-SG 3.52Å; M238-C339 HydrophobicContact SD-CB 4.12Å; W335-C339 PolarHBondContact O-N 3.3Å; W335-C339 VanDerWaalsContact O-N 3.12Å; W335-C339 PolarHBondContact O-SG 2.95Å; V336-C339 WeakPolarHBondContact O-CB 3.45Å; V336-C339 PolarHBondContact O-N 3.3Å; V336-C339 VanDerWaalsContact O-N 3.11Å; F337-C339 VanDerWaalsContact C-N 3.26Å; F337-C339 PolarHBondContact O-N 2.88Å; C339-F341 VanDerWaalsContact C-N 3.26Å; C339-F341 PolarHBondContact O-N 3.46Å; C339-V342 PolarHBondContact O-N 3.41Å; C339-V342 VanDerWaalsContact O-N 3.11Å
340F91.3Very high91.8Very high4 Ų410.5 Ų10.52%0.0185%0.053CC..Hα-helixtrans-61.3-27.9179-58.1-31.3000114.1V336 F337 M338 V342 G343 N344 L556 V559 L560 Y563V336-F340 HydrophobicContact CG1-CE1 4.22Å; V336-F340 HydrophobicContact CG1-CE2 4.34Å; V336-F340 HydrophobicContact CG1-CZ 3.73Å; F337-F340 AromaticContact CD2-CD2 3.91Å; F337-F340 HydrophobicContact CD2-CD2 3.91Å; F337-F340 HydrophobicContact CD2-CE2 4.32Å; F337-F340 WeakPolarHBondContact O-CB 3.38Å; F337-F340 PolarHBondContact O-N 3.11Å; M338-F340 VanDerWaalsContact C-N 3.27Å; M338-F340 PolarHBondContact O-N 3.24Å; F340-V342 VanDerWaalsContact C-N 3.28Å; F340-V342 PolarHBondContact O-N 3.4Å; F340-G343 CarbonylContact O-C 3.56Å; F340-G343 WeakPolarHBondContact O-CA 3.48Å; F340-G343 PolarHBondContact O-N 3.03Å; F340-N344 PolarHBondContact O-ND2 2.87Å; F340-N344 VanDerWaalsContact O-ND2 3.12Å; F340-L556 HydrophobicContact CB-CD2 4.29Å; F340-V559 HydrophobicContact CD1-CG1 4.02Å; F340-V559 HydrophobicContact CD2-CG1 3.95Å; F340-V559 HydrophobicContact CE1-CG1 3.87Å; F340-V559 HydrophobicContact CE2-CG1 3.81Å; F340-V559 HydrophobicContact CG-CG1 4.07Å; F340-V559 HydrophobicContact CZ-CG1 3.77Å; F340-L560 HydrophobicContact CE2-CB 4.2Å; F340-L560 HydrophobicContact CE2-CD1 3.87Å; F340-Y563 HydrophobicContact CE1-CD1 4.03Å; F340-Y563 AromaticContact CE1-CE1 3.56Å; F340-Y563 HydrophobicContact CE1-CE1 3.56Å; F340-Y563 HydrophobicContact CE1-CE2 4.4Å; F340-Y563 AromaticContact CE1-CZ 3.78Å; F340-Y563 AromaticContact CZ-CD1 3.68Å; F340-Y563 HydrophobicContact CZ-CD1 3.68Å; F340-Y563 HydrophobicContact CZ-CD2 4.35Å; F340-Y563 AromaticContact CZ-CE1 3.73Å; F340-Y563 HydrophobicContact CZ-CE1 3.73Å; F340-Y563 HydrophobicContact CZ-CE2 4.43Å; F340-Y563 HydrophobicContact CZ-CG 4.01Å
341F88.4Confident91.6Very high3 Ų39.2 Ų9.21%0.0135%0.049CC..THydrogen-bonded Turntrans-69.5-24177.1-64.9-83.8000113.5F337 M338 C339 G343 L350 L353 L363 V389 M393 L556F337-F341 AromaticContact CD1-CE2 3.88Å; F337-F341 HydrophobicContact CD1-CE2 3.88Å; F337-F341 HydrophobicContact CD1-CZ 4.43Å; F337-F341 AromaticContact CE1-CE2 3.5Å; F337-F341 HydrophobicContact CE1-CE2 3.5Å; F337-F341 AromaticContact CE1-CZ 3.6Å; F337-F341 HydrophobicContact CE1-CZ 3.6Å; F337-F341 HydrophobicContact CZ-CE2 4.05Å; F337-F341 AromaticContact CZ-CZ 3.86Å; F337-F341 HydrophobicContact CZ-CZ 3.86Å; M338-F341 PolarHBondContact O-N 2.78Å; C339-F341 VanDerWaalsContact C-N 3.26Å; C339-F341 PolarHBondContact O-N 3.46Å; F341-G343 PolarHBondContact O-N 2.83Å; F341-L350 HydrophobicContact CB-CD1 4.48Å; F341-L350 HydrophobicContact CD1-CD1 4.1Å; F341-L350 PolarHBondContact O-N 3.26Å; F341-L353 HydrophobicContact CB-CD1 3.67Å; F341-L363 HydrophobicContact CB-CD1 4.44Å; F341-V389 HydrophobicContact CE1-CG1 4.39Å; F341-V389 HydrophobicContact CZ-CG1 3.84Å; F341-M393 HydrophobicContact CD1-CE 3.59Å; F341-M393 HydrophobicContact CD1-SD 3.68Å; F341-M393 HydrophobicContact CD2-CE 4.28Å; F341-M393 HydrophobicContact CE1-CE 3.46Å; F341-M393 VanDerWaalsContact CE1-CE 3.46Å; F341-M393 HydrophobicContact CE1-CG 4.28Å; F341-M393 HydrophobicContact CE1-SD 3.47Å; F341-M393 WeakPolarHBondContact CE1-SD 3.47Å; F341-M393 HydrophobicContact CE2-CE 4.19Å; F341-M393 HydrophobicContact CG-CE 4.01Å; F341-M393 HydrophobicContact CZ-CE 3.79Å; F341-M393 HydrophobicContact CZ-SD 4.29Å; F341-L556 HydrophobicContact CD1-CD1 4.15Å; F341-L556 HydrophobicContact CD1-CD2 4.21Å; F341-L556 HydrophobicContact CE1-CD1 3.39Å; F341-L556 HydrophobicContact CE1-CD2 4.02Å; F341-L556 HydrophobicContact CE1-CG 4.37Å; F341-L556 HydrophobicContact CZ-CD1 3.87Å; F341-L556 HydrophobicContact CZ-CD2 4.25Å
342V85.3Confident91.3Very high4 Ų49.3 Ų9.32%0.0245%0.05CC..THydrogen-bonded Turntrans-78.63.1173.8-154.70000111.1M1 C339 F340 H349 L353 I355 A359 I360 L363M1-V342 WeakPolarHBondContact CG-O 3.42Å; M1-V342 HydrophobicContact SD-CB 4.19Å; C339-V342 PolarHBondContact O-N 3.41Å; C339-V342 VanDerWaalsContact O-N 3.11Å; F340-V342 VanDerWaalsContact C-N 3.28Å; F340-V342 PolarHBondContact O-N 3.4Å; V342-H349 VanDerWaalsContact O-CB 3.32Å; V342-H349 WeakPolarHBondContact O-CB 3.4Å; V342-L353 HydrophobicContact CG1-CB 4.39Å; V342-I355 HydrophobicContact CB-CG1 4.47Å; V342-I355 HydrophobicContact CG1-CB 4.48Å; V342-I355 HydrophobicContact CG1-CG1 3.58Å; V342-A359 HydrophobicContact CG1-CB 3.85Å; V342-A359 HydrophobicContact CG2-CB 4.21Å; V342-I360 HydrophobicContact CG2-CG1 3.99Å; V342-L363 HydrophobicContact CG2-CD1 3.75Å
343G78.5Confident91Very high2 Ų29.3 Ų9.32%0.0215%0.05CC..  trans113.2169.7-179.700000111.7M1 F340 F341M1-G343 WeakPolarHBondContact CE-O 3.4Å; M1-G343 VanDerWaalsContact SD-O 3.33Å; F340-G343 CarbonylContact O-C 3.56Å; F340-G343 WeakPolarHBondContact O-CA 3.48Å; F340-G343 PolarHBondContact O-N 3.03Å; F341-G343 PolarHBondContact O-N 2.83Å
344N87.6Confident90.5Very high9 Ų910.9 Ų10.95%0.0486%0.057CC..  trans-156.9-153.9168.146.581000106.1M1 F340 F346 L347M1-N344 PolarHBondContact N-O 2.88Å; F340-N344 PolarHBondContact O-ND2 2.87Å; F340-N344 VanDerWaalsContact O-ND2 3.12Å; N344-F346 HydrophobicContact CB-CD2 4.34Å; N344-F346 WeakPolarHBondContact OD1-CA 3.42Å; N344-F346 WeakPolarHBondContact OD1-CB 3.41Å; N344-F346 WeakPolarHBondContact OD1-CD2 3.29Å; N344-F346 PolarHBondContact OD1-N 2.87Å; N344-L347 PolarHBondContact OD1-N 3.23Å
345D86.9Confident90Very high37 Ų3711.5 Ų11.520%0.1986%0.06CC..SBendtrans-91-19.6172.7-101.50.5000114K110 Q113K110-D345 HydrophobicContact CD-CB 4.19Å; K110-D345 VanDerWaalsContact CE-OD2 3.23Å; K110-D345 WeakPolarHBondContact CE-OD2 3.36Å; K110-D345 IonicContact NZ-OD2 3.04Å; K110-D345 PolarHBondContact NZ-OD2 3.06Å; Q113-D345 WeakPolarHBondContact CB-O 3.46Å; Q113-D345 HydrophobicContact CG-CB 4.2Å; Q113-D345 PolarHBondContact NE2-OD1 3.41Å; Q113-D345 PolarHBondContact NE2-OD2 3.31Å
346F91.8Very high89.4Confident12 Ų1219.1 Ų19.15%0.0539%0.089CC..SBendtrans-99.8-22.3-171.3-40.1-81.1000112.7A109 K110 N344 W558 V559 Y562 Y563A109-F346 HydrophobicContact CB-CB 4.28Å; A109-F346 HydrophobicContact CB-CD1 3.98Å; K110-F346 HydrophobicContact CB-CD1 4.38Å; K110-F346 HydrophobicContact CB-CE1 4.04Å; K110-F346 HydrophobicContact CD-CE1 4.05Å; N344-F346 HydrophobicContact CB-CD2 4.34Å; N344-F346 WeakPolarHBondContact OD1-CA 3.42Å; N344-F346 WeakPolarHBondContact OD1-CB 3.41Å; N344-F346 WeakPolarHBondContact OD1-CD2 3.29Å; N344-F346 PolarHBondContact OD1-N 2.87Å; F346-W558 HydrophobicContact CB-CZ3 4.27Å; F346-W558 HydrophobicContact CD1-CE3 4.48Å; F346-W558 AromaticContact CD1-CH2 3.94Å; F346-W558 HydrophobicContact CD1-CH2 3.94Å; F346-W558 AromaticContact CD1-CZ3 3.46Å; F346-W558 HydrophobicContact CD1-CZ3 3.46Å; F346-W558 VanDerWaalsContact CD1-CZ3 3.46Å; F346-W558 HydrophobicContact CD2-CZ3 4.2Å; F346-W558 AromaticContact CE1-CH2 3.98Å; F346-W558 HydrophobicContact CE1-CH2 3.98Å; F346-W558 AromaticContact CE1-CZ3 3.75Å; F346-W558 HydrophobicContact CE1-CZ3 3.75Å; F346-W558 HydrophobicContact CE2-CZ3 4.47Å; F346-W558 HydrophobicContact CG-CE3 4.37Å; F346-W558 AromaticContact CG-CZ3 3.7Å; F346-W558 HydrophobicContact CG-CZ3 3.7Å; F346-W558 HydrophobicContact CZ-CZ3 4.26Å; F346-V559 HydrophobicContact CB-CG2 3.79Å; F346-V559 HydrophobicContact CD2-CB 4.46Å; F346-V559 HydrophobicContact CD2-CG1 4.11Å; F346-V559 HydrophobicContact CD2-CG2 3.54Å; F346-V559 HydrophobicContact CE2-CG1 4.37Å; F346-V559 HydrophobicContact CE2-CG2 4.45Å; F346-V559 HydrophobicContact CG-CG2 3.92Å; F346-Y562 HydrophobicContact CE1-CD1 4.16Å; F346-Y562 AromaticContact CE1-CE1 3.86Å; F346-Y562 HydrophobicContact CE1-CE1 3.86Å; F346-Y562 HydrophobicContact CE2-CD1 4.5Å; F346-Y562 AromaticContact CZ-CD1 3.89Å; F346-Y562 HydrophobicContact CZ-CD1 3.89Å; F346-Y562 AromaticContact CZ-CE1 3.75Å; F346-Y562 HydrophobicContact CZ-CE1 3.75Å; F346-Y563 HydrophobicContact CE2-CE2 4.14Å
347L92.6Very high88.9Confident6 Ų622.4 Ų22.43%0.03111%0.105CC..SBendtrans-130.7138.5179.3-69.5174.5000112.2N344 Y552 L556 W572 F574N344-L347 PolarHBondContact OD1-N 3.23Å; L347-Y552 HydrophobicContact CB-CE2 4.03Å; L347-Y552 HydrophobicContact CD1-CD1 4.23Å; L347-Y552 HydrophobicContact CD1-CE1 3.96Å; L347-Y552 HydrophobicContact CD1-CE2 4.3Å; L347-Y552 HydrophobicContact CD2-CD2 3.93Å; L347-Y552 HydrophobicContact CD2-CE2 4.05Å; L347-Y552 HydrophobicContact CD2-CG 4.35Å; L347-Y552 HydrophobicContact CG-CE2 4.37Å; L347-L556 HydrophobicContact CD1-CD2 3.99Å; L347-L556 HydrophobicContact CD1-CG 3.98Å; L347-W572 HydrophobicContact CD2-CH2 4.39Å; L347-F574 HydrophobicContact CD2-CB 3.74Å; L347-F574 HydrophobicContact CD2-CD1 4.21Å; L347-F574 HydrophobicContact CD2-CD2 3.77Å; L347-F574 HydrophobicContact CD2-CE2 4.44Å; L347-F574 HydrophobicContact CD2-CG 3.64Å
348P90.6Very high88.5Confident34 Ų3423.4 Ų23.422%0.22112%0.115CC..PPolyproline II helixtrans-63.7142.216825.5-30.5000110.9Y552 F574 A579P348-Y552 HydrophobicContact CG-CE2 4.43Å; P348-Y552 VanDerWaalsContact O-CE2 3.31Å; P348-Y552 WeakPolarHBondContact O-CE2 3.46Å; P348-Y552 PolarHBondContact O-OH 2.69Å; P348-F574 HydrophobicContact CG-CD1 4.08Å; P348-F574 HydrophobicContact CG-CE1 3.65Å; P348-A579 HydrophobicContact CB-CB 4.33Å; P348-A579 HydrophobicContact CG-CB 4.06Å
349H88.6Confident88.3Confident63 Ų6323.4 Ų23.429%0.29212%0.115SC..PPolyproline II helixtrans-58.1142.4174.265.8-62.7000112.2V342 A579 K650V342-H349 VanDerWaalsContact O-CB 3.32Å; V342-H349 WeakPolarHBondContact O-CB 3.4Å; H349-A579 WeakPolarHBondContact O-CB 3.13Å; H349-K650 PolarHBondContact NE2-NZ 3.28Å
350L91.7Very high88.3Confident0 Ų023.4 Ų23.40%012%0.115CC..PPolyproline II helixtrans-61.5139.1172.6-60.3-168.7000109.6F341 S352 L353 M393 Y552 A579 A582 F585F341-L350 HydrophobicContact CB-CD1 4.48Å; F341-L350 HydrophobicContact CD1-CD1 4.1Å; F341-L350 PolarHBondContact O-N 3.26Å; L350-S352 PolarHBondContact O-N 2.91Å; L350-L353 HydrophobicContact CB-CB 4.42Å; L350-L353 HydrophobicContact CB-CD1 4.1Å; L350-L353 HydrophobicContact CB-CG 4.28Å; L350-L353 HydrophobicContact CD1-CD1 3.92Å; L350-L353 HydrophobicContact CG-CD1 4.26Å; L350-L353 PolarHBondContact O-N 2.68Å; L350-M393 HydrophobicContact CD1-SD 3.95Å; L350-Y552 HydrophobicContact CD2-CE1 3.77Å; L350-Y552 HydrophobicContact CD2-CE2 4.12Å; L350-A579 HydrophobicContact CD2-CB 4.01Å; L350-A582 HydrophobicContact CD1-CB 4.31Å; L350-F585 HydrophobicContact CD2-CE2 4.27Å; L350-F585 HydrophobicContact CD2-CZ 4.34Å
351P91.1Very high88.3Confident13 Ų1325.3 Ų25.38%0.08413%0.126CC..THydrogen-bonded Turntrans-57.6-30.1-174.8-26.635.9000113.8F404 R407 Y530 P580 F581P351-F404 HydrophobicContact CB-CE1 4.32Å; P351-F404 HydrophobicContact CB-CZ 4.3Å; P351-R407 PolarHBondContact O-NH1 3.46Å; P351-R407 PolarHBondContact O-NH2 3.28Å; P351-R407 VanDerWaalsContact O-NH2 3.07Å; P351-Y530 HydrophobicContact CG-CE1 4.42Å; P351-Y530 HydrophobicContact CG-CE2 4.2Å; P351-P580 WeakPolarHBondContact CD-O 3.3Å; P351-F581 HydrophobicContact CB-CD1 4.07Å; P351-F581 HydrophobicContact CB-CE1 3.74Å; P351-F581 HydrophobicContact CG-CD1 3.96Å; P351-F581 HydrophobicContact CG-CE1 3.82Å; P351-F581 HydrophobicContact CG-CZ 4.47Å
352S90.8Very high88.5Confident2 Ų229.2 Ų29.21%0.01414%0.14CC..THydrogen-bonded Turntrans-830.2-18042.90000114.8L350 E400L350-S352 PolarHBondContact O-N 2.91Å; S352-E400 WeakPolarHBondContact CB-OE1 3.31Å; S352-E400 PolarHBondContact OG-OE1 3.1Å
353L89.9Confident88.8Confident0 Ų029.1 Ų29.10%014%0.139CC..  trans-129.9106.5-175.4-61176.7000112.8F341 V342 L350 A359 L363 V396F341-L353 HydrophobicContact CB-CD1 3.67Å; V342-L353 HydrophobicContact CG1-CB 4.39Å; L350-L353 HydrophobicContact CB-CB 4.42Å; L350-L353 HydrophobicContact CB-CD1 4.1Å; L350-L353 HydrophobicContact CB-CG 4.28Å; L350-L353 HydrophobicContact CD1-CD1 3.92Å; L350-L353 HydrophobicContact CG-CD1 4.26Å; L350-L353 PolarHBondContact O-N 2.68Å; L353-A359 HydrophobicContact CB-CB 4.09Å; L353-A359 HydrophobicContact CD2-CB 4.09Å; L353-L363 HydrophobicContact CD1-CD1 4.2Å; L353-L363 HydrophobicContact CD1-CD2 4.27Å; L353-L363 HydrophobicContact CD2-CD2 4.34Å; L353-L363 HydrophobicContact CD2-CG 4.29Å; L353-V396 HydrophobicContact CD2-CG1 4.38Å
354E86.6Confident89.6Confident34 Ų3429 Ų2916%0.15914%0.139CC..  trans-126.8134.6167.1-178.3162.9175.200112.2R356 E357 A359 K650E354-R356 HydrophobicContact CG-CB 4.11Å; E354-R356 HydrophobicContact CG-CG 4.08Å; E354-R356 PolarHBondContact O-N 2.63Å; E354-R356 VanDerWaalsContact O-N 3.11Å; E354-R356 WeakPolarHBondContact OE1-CD 3.39Å; E354-R356 WeakPolarHBondContact OE1-CG 3.44Å; E354-R356 IonicContact OE1-CZ 2.74Å; E354-R356 IonicContact OE1-NE 3.65Å; E354-R356 PolarHBondContact OE1-NE 3.24Å; E354-E357 HydrophobicContact CB-CG 4.32Å; E354-E357 PolarHBondContact O-N 3.24Å; E354-A359 VanDerWaalsContact O-CB 3.26Å; E354-A359 WeakPolarHBondContact O-CB 3.07Å; E354-A359 PolarHBondContact O-N 2.96Å; E354-K650 IonicContact OE2-NZ 3.08Å; E354-K650 PolarHBondContact OE2-NZ 3.25Å
355I85.3Confident89.9Confident13 Ų1332.8 Ų32.87%0.06716%0.159CC..G310 helixtrans-51.4-38.7180-53.2175.3000111.8M1 F6 W9 V342 E357 G358 I360M1-I355 HydrophobicContact CB-CD1 4.31Å; M1-I355 HydrophobicContact CG-CD1 4.36Å; M1-I355 HydrophobicContact SD-CD1 3.78Å; M1-I355 HydrophobicContact SD-CG1 4.34Å; F6-I355 HydrophobicContact CB-CD1 3.84Å; F6-I355 HydrophobicContact CD2-CD1 4.22Å; W9-I355 HydrophobicContact CB-CG2 3.66Å; W9-I355 HydrophobicContact CG-CG2 3.92Å; V342-I355 HydrophobicContact CB-CG1 4.47Å; V342-I355 HydrophobicContact CG1-CB 4.48Å; V342-I355 HydrophobicContact CG1-CG1 3.58Å; I355-E357 PolarHBondContact O-N 3.31Å; I355-E357 VanDerWaalsContact O-N 3.08Å; I355-G358 PolarHBondContact O-N 3.27Å; I355-G358 VanDerWaalsContact O-N 3.12Å; I355-I360 HydrophobicContact CG2-CD1 4.47Å
356R82.8Confident90.2Very high161 Ų16132.1 Ų32.161%0.60816%0.155SC*.G310 helixtrans-61.5-18.4-177.5-55.1-173.2-166.6-166.40113.4E354E354-R356 HydrophobicContact CG-CB 4.11Å; E354-R356 HydrophobicContact CG-CG 4.08Å; E354-R356 PolarHBondContact O-N 2.63Å; E354-R356 VanDerWaalsContact O-N 3.11Å; E354-R356 WeakPolarHBondContact OE1-CD 3.39Å; E354-R356 WeakPolarHBondContact OE1-CG 3.44Å; E354-R356 IonicContact OE1-CZ 2.74Å; E354-R356 IonicContact OE1-NE 3.65Å; E354-R356 PolarHBondContact OE1-NE 3.24Å
357E85.8Confident90.3Very high69 Ų6931.6 Ų31.632%0.32215%0.152SC..G310 helixtrans-105.87.1-176.1-52.3-178.3147.400112.7E354 I355 R407E354-E357 HydrophobicContact CB-CG 4.32Å; E354-E357 PolarHBondContact O-N 3.24Å; I355-E357 PolarHBondContact O-N 3.31Å; I355-E357 VanDerWaalsContact O-N 3.08Å; E357-R407 WeakPolarHBondContact OE1-CD 3.11Å; E357-R407 VanDerWaalsContact OE1-CG 3.25Å; E357-R407 WeakPolarHBondContact OE1-CG 3.39Å; E357-R407 IonicContact OE1-CZ 2.94Å; E357-R407 IonicContact OE1-NE 2.66Å; E357-R407 PolarHBondContact OE1-NE 3.04Å; E357-R407 IonicContact OE1-NH2 3.64Å; E357-R407 IonicContact OE2-CZ 3.93Å; E357-R407 IonicContact OE2-NE 3.54Å; E357-R407 PolarHBondContact OE2-NE 3.12Å; E357-R407 IonicContact OE2-NH2 3.35Å; E357-R407 PolarHBondContact OE2-NH2 3.42Å
358G87.1Confident90.3Very high20 Ų2033.7 Ų33.721%0.20616%0.161CC..THydrogen-bonded Turntrans75.531.4-175.500000113.5I355 I360 D361 R362I355-G358 PolarHBondContact O-N 3.27Å; I355-G358 VanDerWaalsContact O-N 3.12Å; G358-I360 VanDerWaalsContact C-N 3.31Å; G358-I360 PolarHBondContact O-N 3.23Å; G358-D361 WeakPolarHBondContact CA-OD2 3.49Å; G358-D361 PolarHBondContact O-N 2.71Å; G358-R362 PolarHBondContact O-N 2.92Å
359A90.2Very high90.2Very high3 Ų337.5 Ų37.53%0.02518%0.18CC..Hα-helixtrans-57.2-39.9-179.400000113.4V342 L353 E354 R362 L363V342-A359 HydrophobicContact CG1-CB 3.85Å; V342-A359 HydrophobicContact CG2-CB 4.21Å; L353-A359 HydrophobicContact CB-CB 4.09Å; L353-A359 HydrophobicContact CD2-CB 4.09Å; E354-A359 VanDerWaalsContact O-CB 3.26Å; E354-A359 WeakPolarHBondContact O-CB 3.07Å; E354-A359 PolarHBondContact O-N 2.96Å; A359-R362 WeakPolarHBondContact O-CB 3.33Å; A359-R362 PolarHBondContact O-N 3.48Å; A359-L363 WeakPolarHBondContact O-CG 3.3Å; A359-L363 PolarHBondContact O-N 2.96Å
360I91.1Very high90.3Very high3 Ų335.1 Ų35.12%0.01517%0.17CC..Hα-helixtrans-65.5-45177.2-57.1168.4000110.4F6 W9 W335 V342 I355 G358 R362 L363 V364F6-I360 HydrophobicContact CD2-CD1 3.97Å; F6-I360 HydrophobicContact CE2-CD1 3.75Å; W9-I360 HydrophobicContact CD2-CD1 4.13Å; W9-I360 HydrophobicContact CE3-CD1 3.84Å; W9-I360 HydrophobicContact CH2-CB 4Å; W9-I360 HydrophobicContact CH2-CD1 3.92Å; W9-I360 HydrophobicContact CH2-CG2 3.58Å; W9-I360 HydrophobicContact CZ2-CB 3.77Å; W9-I360 HydrophobicContact CZ2-CD1 4.17Å; W9-I360 HydrophobicContact CZ2-CG2 3.78Å; W9-I360 HydrophobicContact CZ3-CD1 3.73Å; W9-I360 HydrophobicContact CZ3-CG2 4.38Å; W335-I360 HydrophobicContact CZ2-CG2 4.45Å; V342-I360 HydrophobicContact CG2-CG1 3.99Å; I355-I360 HydrophobicContact CG2-CD1 4.47Å; G358-I360 VanDerWaalsContact C-N 3.31Å; G358-I360 PolarHBondContact O-N 3.23Å; I360-R362 VanDerWaalsContact C-N 3.27Å; I360-R362 PolarHBondContact O-N 3.4Å; I360-L363 PolarHBondContact O-N 2.76Å; I360-V364 HydrophobicContact CG2-CG2 4.5Å; I360-V364 WeakPolarHBondContact O-CG2 3.41Å; I360-V364 PolarHBondContact O-N 3.3Å
361D92Very high90.2Very high44 Ų4435.1 Ų35.124%0.23517%0.17CC..Hα-helixtrans-61.9-36.5177.8-51.1-74000111.6W9 K13 G358 N365W9-D361 PolarHBondContact NE1-OD2 3.16Å; K13-D361 WeakPolarHBondContact CE-OD1 3.48Å; K13-D361 IonicContact NZ-OD1 2.72Å; K13-D361 PolarHBondContact NZ-OD1 3.05Å; G358-D361 WeakPolarHBondContact CA-OD2 3.49Å; G358-D361 PolarHBondContact O-N 2.71Å; D361-N365 PolarHBondContact O-N 2.96Å; D361-N365 PolarHBondContact O-ND2 3.18Å
362R91.7Very high90.1Very high85 Ų8537.9 Ų37.932%0.32118%0.181SC..Hα-helixtrans-66.9-46.5173.1-173.6-172.6-60.1-93.81.7112G358 A359 I360 N365 I366G358-R362 PolarHBondContact O-N 2.92Å; A359-R362 WeakPolarHBondContact O-CB 3.33Å; A359-R362 PolarHBondContact O-N 3.48Å; I360-R362 VanDerWaalsContact C-N 3.27Å; I360-R362 PolarHBondContact O-N 3.4Å; R362-N365 PolarHBondContact O-N 2.91Å; R362-I366 HydrophobicContact CG-CD1 3.96Å; R362-I366 WeakPolarHBondContact O-CG1 3.31Å; R362-I366 PolarHBondContact O-N 3.09Å
363L93.4Very high90Very high1 Ų145.3 Ų45.31%0.00521%0.213CC..Hα-helixtrans-60.8-45178.1-75.3171.3000111.5M338 F341 V342 L353 A359 I360 N365 I366 Y367 V396M338-L363 WeakPolarHBondContact O-CD1 3.38Å; M338-L363 HydrophobicContact SD-CB 4.01Å; F341-L363 HydrophobicContact CB-CD1 4.44Å; V342-L363 HydrophobicContact CG2-CD1 3.75Å; L353-L363 HydrophobicContact CD1-CD1 4.2Å; L353-L363 HydrophobicContact CD1-CD2 4.27Å; L353-L363 HydrophobicContact CD2-CD2 4.34Å; L353-L363 HydrophobicContact CD2-CG 4.29Å; A359-L363 WeakPolarHBondContact O-CG 3.3Å; A359-L363 PolarHBondContact O-N 2.96Å; I360-L363 PolarHBondContact O-N 2.76Å; L363-N365 VanDerWaalsContact C-N 3.3Å; L363-N365 PolarHBondContact O-N 2.8Å; L363-I366 PolarHBondContact O-N 3.35Å; L363-Y367 WeakPolarHBondContact O-CB 3.49Å; L363-Y367 PolarHBondContact O-N 3.35Å; L363-V396 HydrophobicContact CD2-CG2 3.9Å
364V93.8Very high89.8Confident1 Ų146 Ų461%0.00622%0.217CC..Hα-helixtrans-59.4-39.6177.1168.70000112E316 L317 M338 I360 K368E316-V364 HydrophobicContact CG-CG1 4.13Å; L317-V364 HydrophobicContact CD2-CG1 4.08Å; L317-V364 HydrophobicContact CD2-CG2 4.42Å; M338-V364 HydrophobicContact CE-CG2 4.3Å; I360-V364 HydrophobicContact CG2-CG2 4.5Å; I360-V364 WeakPolarHBondContact O-CG2 3.41Å; I360-V364 PolarHBondContact O-N 3.3Å; V364-K368 HydrophobicContact CG1-CD 4.49Å; V364-K368 WeakPolarHBondContact O-CG 3.48Å; V364-K368 PolarHBondContact O-N 2.83Å; V364-K368 VanDerWaalsContact O-N 3.12Å
365N93.6Very high89.8Confident88 Ų8846.5 Ų46.547%0.47123%0.232SC..Hα-helixtrans-69.3-45.6176.1-68.9-34.1000111.9D361 R362 L363 Y367 K368 D369D361-N365 PolarHBondContact O-N 2.96Å; D361-N365 PolarHBondContact O-ND2 3.18Å; R362-N365 PolarHBondContact O-N 2.91Å; L363-N365 VanDerWaalsContact C-N 3.3Å; L363-N365 PolarHBondContact O-N 2.8Å; N365-Y367 VanDerWaalsContact C-N 3.31Å; N365-Y367 PolarHBondContact O-N 2.71Å; N365-K368 WeakPolarHBondContact O-CB 3.32Å; N365-K368 PolarHBondContact O-N 3.12Å; N365-D369 PolarHBondContact O-N 2.88Å
366I93.3Very high90.2Very high23 Ų2346.1 Ų46.112%0.11823%0.232CC..Hα-helixtrans-60.5-41.3175.9-67.9170.7000111R362 L363 K368 D369 V370 I392 A395 V396R362-I366 HydrophobicContact CG-CD1 3.96Å; R362-I366 WeakPolarHBondContact O-CG1 3.31Å; R362-I366 PolarHBondContact O-N 3.09Å; L363-I366 PolarHBondContact O-N 3.35Å; I366-K368 PolarHBondContact O-N 2.92Å; I366-D369 PolarHBondContact O-N 2.83Å; I366-V370 HydrophobicContact CG2-CG2 4.06Å; I366-V370 VanDerWaalsContact O-CB 3.3Å; I366-V370 WeakPolarHBondContact O-CB 3.16Å; I366-V370 VanDerWaalsContact O-CG2 3.24Å; I366-V370 WeakPolarHBondContact O-CG2 3.4Å; I366-V370 PolarHBondContact O-N 3.37Å; I366-I392 HydrophobicContact CG2-CG2 4.14Å; I366-A395 HydrophobicContact CG2-CB 3.65Å; I366-V396 HydrophobicContact CD1-CG2 3.78Å; I366-V396 HydrophobicContact CG2-CG2 4.48Å
367Y94.1Very high90.8Very high0 Ų039 Ų390%021%0.205CC..Hα-helixtrans-58.2-47.1174.7163.7-105.8000111.7M319 D334 M338 L363 N365 D369 V370 V371 L378 I392M319-Y367 HydrophobicContact CE-CE1 3.6Å; M319-Y367 HydrophobicContact SD-CE1 4.26Å; D334-Y367 HydrophobicContact CB-CE2 3.99Å; D334-Y367 WeakPolarHBondContact OD2-CE2 3.31Å; D334-Y367 PolarHBondContact OD2-OH 3.06Å; M338-Y367 HydrophobicContact CE-CD1 3.76Å; M338-Y367 HydrophobicContact CE-CD2 4.23Å; M338-Y367 HydrophobicContact CE-CE1 4.37Å; M338-Y367 HydrophobicContact CE-CG 3.67Å; M338-Y367 WeakPolarHBondContact SD-CB 3.48Å; M338-Y367 HydrophobicContact SD-CD2 4.45Å; M338-Y367 HydrophobicContact SD-CG 3.94Å; L363-Y367 WeakPolarHBondContact O-CB 3.49Å; L363-Y367 PolarHBondContact O-N 3.35Å; N365-Y367 VanDerWaalsContact C-N 3.31Å; N365-Y367 PolarHBondContact O-N 2.71Å; Y367-D369 PolarHBondContact O-N 3.15Å; Y367-V370 PolarHBondContact O-N 3.06Å; Y367-V371 HydrophobicContact CD2-CB 4.14Å; Y367-V371 HydrophobicContact CD2-CG2 4.45Å; Y367-V371 HydrophobicContact CE2-CB 3.92Å; Y367-V371 HydrophobicContact CE2-CG1 4.41Å; Y367-V371 HydrophobicContact CE2-CG2 3.79Å; Y367-V371 WeakPolarHBondContact O-CB 3.33Å; Y367-V371 VanDerWaalsContact O-CG1 3.27Å; Y367-V371 WeakPolarHBondContact O-CG1 3.28Å; Y367-V371 PolarHBondContact O-N 2.76Å; Y367-L378 HydrophobicContact CD2-CD1 4.11Å; Y367-L378 HydrophobicContact CD2-CG 4.36Å; Y367-L378 HydrophobicContact CE2-CD1 4.37Å; Y367-L378 HydrophobicContact CE2-CG 4.26Å; Y367-I392 HydrophobicContact CD2-CD1 3.99Å
368K92.4Very high91.2Very high51 Ų5135.9 Ų35.922%0.22219%0.19CC..Hα-helixtrans-57.6-46.4174.6-70.2166.4179.3177.90112.3E316 M319 V364 N365 I366 V370 H372E316-K368 WeakPolarHBondContact O-CE 3.42Å; E316-K368 PolarHBondContact O-NZ 3.42Å; M319-K368 HydrophobicContact CG-CG 4.03Å; M319-K368 HydrophobicContact SD-CB 4.2Å; M319-K368 HydrophobicContact SD-CG 3.78Å; V364-K368 HydrophobicContact CG1-CD 4.49Å; V364-K368 WeakPolarHBondContact O-CG 3.48Å; V364-K368 PolarHBondContact O-N 2.83Å; V364-K368 VanDerWaalsContact O-N 3.12Å; N365-K368 WeakPolarHBondContact O-CB 3.32Å; N365-K368 PolarHBondContact O-N 3.12Å; I366-K368 PolarHBondContact O-N 2.92Å; K368-V370 VanDerWaalsContact C-N 3.31Å; K368-V370 PolarHBondContact O-N 3.37Å; K368-H372 PolarHBondContact O-CE1 2.81Å; K368-H372 PolarHBondContact O-ND1 3.36Å
369D89.9Confident91.7Very high114 Ų11435.1 Ų35.161%0.6118%0.182SC*.Hα-helixtrans-69.6-27.2-177.9-66.7-21.8000113.2N365 I366 Y367N365-D369 PolarHBondContact O-N 2.88Å; I366-D369 PolarHBondContact O-N 2.83Å; Y367-D369 PolarHBondContact O-N 3.15Å
370V90Very high91.9Very high12 Ų1240 Ų407%0.07320%0.204CC..Hα-helixtrans-94.5-38.4-177.6173.40000112.6I366 Y367 K368 H372 K373 T374 M391 I392 A395I366-V370 HydrophobicContact CG2-CG2 4.06Å; I366-V370 VanDerWaalsContact O-CB 3.3Å; I366-V370 WeakPolarHBondContact O-CB 3.16Å; I366-V370 VanDerWaalsContact O-CG2 3.24Å; I366-V370 WeakPolarHBondContact O-CG2 3.4Å; I366-V370 PolarHBondContact O-N 3.37Å; Y367-V370 PolarHBondContact O-N 3.06Å; K368-V370 VanDerWaalsContact C-N 3.31Å; K368-V370 PolarHBondContact O-N 3.37Å; V370-H372 VanDerWaalsContact C-N 3.25Å; V370-H372 PolarHBondContact O-N 3.1Å; V370-K373 WeakPolarHBondContact O-CA 3.49Å; V370-K373 VanDerWaalsContact O-CB 3.32Å; V370-K373 WeakPolarHBondContact O-CB 3.49Å; V370-K373 PolarHBondContact O-N 3.36Å; V370-T374 HydrophobicContact CG1-CG2 3.92Å; V370-T374 PolarHBondContact O-N 2.79Å; V370-M391 HydrophobicContact CG1-CB 3.63Å; V370-I392 HydrophobicContact CB-CG1 3.97Å; V370-I392 HydrophobicContact CG1-CG1 3.63Å; V370-I392 HydrophobicContact CG2-CG1 4.41Å; V370-A395 HydrophobicContact CG2-CB 3.88Å
371V90Very high92.1Very high0 Ų041.2 Ų41.20%021%0.211CC..Hα-helixtrans-64.7-28.3-170.675.60000112.9M319 L322 F324 Y367 K373 T374M319-V371 HydrophobicContact CE-CG1 3.97Å; M319-V371 HydrophobicContact SD-CG1 3.47Å; M319-V371 WeakPolarHBondContact SD-CG1 3.45Å; L322-V371 HydrophobicContact CD2-CG1 3.91Å; F324-V371 HydrophobicContact CE1-CG2 4.39Å; F324-V371 HydrophobicContact CZ-CG2 3.93Å; Y367-V371 HydrophobicContact CD2-CB 4.14Å; Y367-V371 HydrophobicContact CD2-CG2 4.45Å; Y367-V371 HydrophobicContact CE2-CB 3.92Å; Y367-V371 HydrophobicContact CE2-CG1 4.41Å; Y367-V371 HydrophobicContact CE2-CG2 3.79Å; Y367-V371 WeakPolarHBondContact O-CB 3.33Å; Y367-V371 VanDerWaalsContact O-CG1 3.27Å; Y367-V371 WeakPolarHBondContact O-CG1 3.28Å; Y367-V371 PolarHBondContact O-N 2.76Å; V371-K373 PolarHBondContact O-N 3.4Å; V371-T374 WeakPolarHBondContact CA-OG1 3.42Å; V371-T374 WeakPolarHBondContact CG2-OG1 3.28Å; V371-T374 PolarHBondContact O-N 3.45Å; V371-T374 VanDerWaalsContact O-N 3.15Å; V371-T374 PolarHBondContact O-OG1 3.39Å
372H87.6Confident92.2Very high72 Ų7239.2 Ų39.233%0.33320%0.2SC..Hα-helixtrans-56.1-19.9168.7-70.986.8000114A320 K368 V370A320-H372 PolarHBondContact O-NE2 3.42Å; K368-H372 PolarHBondContact O-CE1 2.81Å; K368-H372 PolarHBondContact O-ND1 3.36Å; V370-H372 VanDerWaalsContact C-N 3.25Å; V370-H372 PolarHBondContact O-N 3.1Å
373K89.1Confident92.4Very high157 Ų15739 Ų3968%0.68320%0.201SC*.Hα-helixtrans-103.3-23.3-179.9-52.3171-169.8165.80112.9V370 V371 G375V370-K373 WeakPolarHBondContact O-CA 3.49Å; V370-K373 VanDerWaalsContact O-CB 3.32Å; V370-K373 WeakPolarHBondContact O-CB 3.49Å; V370-K373 PolarHBondContact O-N 3.36Å; V371-K373 PolarHBondContact O-N 3.4Å; K373-G375 VanDerWaalsContact C-N 3.33Å; K373-G375 PolarHBondContact O-N 3.44Å
374T87.2Confident92.5Very high14 Ų1440.2 Ų40.29%0.08621%0.209CC..Hα-helixtrans-73.5-17.7-177.162.20000115V370 V371 G376 R388 M391V370-T374 HydrophobicContact CG1-CG2 3.92Å; V370-T374 PolarHBondContact O-N 2.79Å; V371-T374 WeakPolarHBondContact CA-OG1 3.42Å; V371-T374 WeakPolarHBondContact CG2-OG1 3.28Å; V371-T374 PolarHBondContact O-N 3.45Å; V371-T374 VanDerWaalsContact O-N 3.15Å; V371-T374 PolarHBondContact O-OG1 3.39Å; T374-G376 PolarHBondContact O-N 2.95Å; T374-G376 PolarHBondContact OG1-N 3.42Å; T374-G376 PolarHBondContact OG1-O 3.07Å; T374-R388 HydrophobicContact CG2-CB 3.97Å; T374-R388 HydrophobicContact CG2-CG 4.12Å; T374-R388 PolarHBondContact O-NE 3.11Å; T374-R388 PolarHBondContact O-NH2 3.24Å; T374-M391 HydrophobicContact CG2-SD 4Å
375G85.8Confident92.5Very high45 Ų4542.9 Ų42.946%0.46422%0.223SC..THydrogen-bonded Turntrans66.616.6-174.400000115K373 R388K373-G375 VanDerWaalsContact C-N 3.33Å; K373-G375 PolarHBondContact O-N 3.44Å; G375-R388 PolarHBondContact O-NH2 3.24Å; G375-R388 VanDerWaalsContact O-NH2 3.09Å
376G92.9Very high92.6Very high6 Ų639.5 Ų39.56%0.06221%0.205CC..SBendtrans156.9177.9173.800000113.7F324 T374 R388F324-G376 VanDerWaalsContact CE1-CA 3.46Å; F324-G376 VanDerWaalsContact CE1-N 3.27Å; T374-G376 PolarHBondContact O-N 2.95Å; T374-G376 PolarHBondContact OG1-N 3.42Å; T374-G376 PolarHBondContact OG1-O 3.07Å; G376-R388 VanDerWaalsContact C-NH1 3.34Å; G376-R388 VanDerWaalsContact O-CD 3.26Å; G376-R388 WeakPolarHBondContact O-CD 3.27Å; G376-R388 PolarHBondContact O-NE 2.86Å
377Y95.4Very high92.6Very high12 Ų1243 Ų435%0.04722%0.221CC..  trans-57.3150.9-179.3-61.3-76.2000114.5F324 D327 R330 S331 D334 T379 R388F324-Y377 HydrophobicContact CD2-CE2 4.07Å; F324-Y377 HydrophobicContact CE2-CD2 4.16Å; F324-Y377 HydrophobicContact CE2-CE1 4.39Å; F324-Y377 AromaticContact CE2-CE2 3.59Å; F324-Y377 HydrophobicContact CE2-CE2 3.59Å; F324-Y377 AromaticContact CE2-CZ 3.72Å; D327-Y377 HydrophobicContact CB-CE2 4.16Å; D327-Y377 PolarHBondContact N-OH 3.17Å; D327-Y377 PolarHBondContact O-OH 3.17Å; R330-Y377 HydrophobicContact CB-CD1 3.87Å; R330-Y377 HydrophobicContact CB-CD2 3.62Å; R330-Y377 HydrophobicContact CB-CE1 4.03Å; R330-Y377 HydrophobicContact CB-CE2 3.79Å; R330-Y377 HydrophobicContact CB-CG 3.68Å; R330-Y377 HydrophobicContact CG-CD2 4.35Å; R330-Y377 WeakPolarHBondContact O-CD1 3.02Å; S331-Y377 WeakPolarHBondContact OG-CE1 3.44Å; D334-Y377 VanDerWaalsContact OD2-CA 3.26Å; D334-Y377 WeakPolarHBondContact OD2-CA 3.46Å; D334-Y377 WeakPolarHBondContact OD2-CB 3.47Å; D334-Y377 WeakPolarHBondContact OD2-CD1 3.49Å; Y377-T379 VanDerWaalsContact C-N 3.29Å; Y377-R388 WeakPolarHBondContact O-CD 3.26Å; Y377-R388 PolarHBondContact O-NH1 3.2Å
378L95.5Very high92.6Very high3 Ų345.5 Ų45.52%0.01623%0.23CC..SBendtrans-67.3-32.1175.6-49.1176.6000111.4D334 F337 Y367 N385 R388 V389 I392D334-L378 HydrophobicContact CB-CD1 4.31Å; D334-L378 HydrophobicContact CB-CG 4.4Å; D334-L378 VanDerWaalsContact CG-N 3.31Å; D334-L378 WeakPolarHBondContact OD1-CB 3.42Å; D334-L378 PolarHBondContact OD1-N 2.58Å; D334-L378 VanDerWaalsContact OD1-N 3.11Å; D334-L378 WeakPolarHBondContact OD2-CG 3.38Å; D334-L378 PolarHBondContact OD2-N 2.95Å; F337-L378 HydrophobicContact CD1-CD1 4.38Å; Y367-L378 HydrophobicContact CD2-CD1 4.11Å; Y367-L378 HydrophobicContact CD2-CG 4.36Å; Y367-L378 HydrophobicContact CE2-CD1 4.37Å; Y367-L378 HydrophobicContact CE2-CG 4.26Å; L378-N385 WeakPolarHBondContact O-CB 3.26Å; L378-N385 PolarHBondContact O-N 3.44Å; L378-R388 HydrophobicContact CD2-CB 3.71Å; L378-V389 HydrophobicContact CB-CG2 4.49Å; L378-I392 HydrophobicContact CD1-CD1 3.61Å; L378-I392 HydrophobicContact CD2-CD1 3.61Å; L378-I392 HydrophobicContact CD2-CG1 4.45Å; L378-I392 HydrophobicContact CG-CD1 4.17Å
379T96.3Very high92.7Very high4 Ų443.2 Ų43.23%0.02522%0.221CC..EExtended strand (participates in β ladder)trans-129.1157.9-170.264.20000112.8R330 D333 D334 F337 Y377 F383 L560R330-T379 PolarHBondContact NE-O 3.33Å; R330-T379 VanDerWaalsContact NE-O 3.16Å; R330-T379 PolarHBondContact NH2-O 3.49Å; D333-T379 WeakPolarHBondContact CB-OG1 3.33Å; D334-T379 PolarHBondContact N-OG1 2.85Å; D334-T379 WeakPolarHBondContact OD1-CB 3.48Å; D334-T379 PolarHBondContact OD1-N 3.09Å; D334-T379 PolarHBondContact OD1-OG1 3.46Å; F337-T379 HydrophobicContact CB-CG2 3.67Å; F337-T379 HydrophobicContact CD1-CG2 3.91Å; F337-T379 HydrophobicContact CD2-CG2 4.15Å; F337-T379 HydrophobicContact CG-CG2 3.63Å; Y377-T379 VanDerWaalsContact C-N 3.29Å; T379-F383 CarbonylContact C-O 3.15Å; T379-F383 VanDerWaalsContact CA-O 3.26Å; T379-F383 WeakPolarHBondContact CA-O 3.4Å; T379-L560 HydrophobicContact CG2-CD2 3.49Å; T379-L560 VanDerWaalsContact CG2-CD2 3.49Å
380Q95.7Very high92.9Very high104 Ų10439 Ų3949%0.48620%0.197SC..EExtended strand (participates in β ladder)trans-153.4115.4174.4-172.3157.3-42.800110.8R330 G382 F383R330-Q380 VanDerWaalsContact NH2-CB 3.3Å; Q380-G382 PolarHBondContact O-N 3.37Å; Q380-F383 PolarHBondContact N-O 3.13Å; Q380-F383 WeakPolarHBondContact O-CB 3.29Å; Q380-F383 PolarHBondContact O-N 3.4Å
381N94.6Very high93.1Very high30 Ų3041.6 Ų41.616%0.1621%0.209CC..THydrogen-bonded Turntrans48.243.3177.9-56.1-38.8000112.9F383 Q565 V775 A778N381-F383 VanDerWaalsContact O-CD2 3.28Å; N381-F383 WeakPolarHBondContact O-CD2 3.31Å; N381-F383 PolarHBondContact O-N 2.93Å; N381-Q565 PolarHBondContact O-NE2 3.36Å; N381-V775 HydrophobicContact CB-CG1 3.6Å; N381-A778 PolarHBondContact OD1-N 2.94Å
382G94.1Very high93.3Very high1 Ų141.8 Ų41.81%0.0121%0.21CC..THydrogen-bonded Turntrans84-2.7-178.100000117Q380 L560 R561 Y564Q380-G382 PolarHBondContact O-N 3.37Å; G382-L560 WeakPolarHBondContact O-CD2 3.19Å; G382-R561 WeakPolarHBondContact O-CG 3.37Å; G382-Y564 VanDerWaalsContact CA-CB 3.4Å
383F95.3Very high93.6Very high80 Ų8038.4 Ų38.435%0.35120%0.195SC..EExtended strand (participates in β ladder)trans-100.5141.2176.4-62.8-96.2000111.3T379 Q380 N381 Q565 V775T379-F383 CarbonylContact C-O 3.15Å; T379-F383 VanDerWaalsContact CA-O 3.26Å; T379-F383 WeakPolarHBondContact CA-O 3.4Å; Q380-F383 PolarHBondContact N-O 3.13Å; Q380-F383 WeakPolarHBondContact O-CB 3.29Å; Q380-F383 PolarHBondContact O-N 3.4Å; N381-F383 VanDerWaalsContact O-CD2 3.28Å; N381-F383 WeakPolarHBondContact O-CD2 3.31Å; N381-F383 PolarHBondContact O-N 2.93Å; F383-Q565 HydrophobicContact CE2-CG 4.41Å; F383-V775 HydrophobicContact CE2-CG1 4.14Å; F383-V775 HydrophobicContact CE2-CG2 4.02Å; F383-V775 HydrophobicContact CZ-CG2 4.31Å
384V95.3Very high93.8Very high27 Ų2735.4 Ų35.416%0.16418%0.183CC..EExtended strand (participates in β ladder)trans-101.4133.9-176.1-171.80000111.1F337 L386 V389 L560F337-V384 HydrophobicContact CD2-CG2 4.35Å; F337-V384 HydrophobicContact CE1-CG1 4.17Å; F337-V384 HydrophobicContact CE2-CG1 4.22Å; F337-V384 HydrophobicContact CE2-CG2 3.65Å; F337-V384 HydrophobicContact CZ-CG1 3.68Å; F337-V384 HydrophobicContact CZ-CG2 3.98Å; V384-L386 HydrophobicContact CB-CD2 4.31Å; V384-L386 HydrophobicContact CG1-CD2 3.88Å; V384-L386 PolarHBondContact O-N 3.09Å; V384-V389 HydrophobicContact CG1-CG2 3.53Å; V384-L560 HydrophobicContact CG2-CB 4.35Å; V384-L560 HydrophobicContact CG2-CD2 3.54Å
385N94.9Very high94.1Very high57 Ų5736.3 Ų36.331%0.30519%0.192SC..  trans-89.697.1165.5-174.1-37.5000110L378 E387 R388 V389L378-N385 WeakPolarHBondContact O-CB 3.26Å; L378-N385 PolarHBondContact O-N 3.44Å; N385-E387 VanDerWaalsContact C-N 3.3Å; N385-E387 PolarHBondContact O-N 3.2Å; N385-E387 WeakPolarHBondContact OD1-CB 3.37Å; N385-E387 PolarHBondContact OD1-N 2.59Å; N385-R388 HydrophobicContact CB-CB 4.44Å; N385-R388 HydrophobicContact CB-CG 4.24Å; N385-R388 PolarHBondContact O-N 2.85Å; N385-R388 PolarHBondContact OD1-N 3.48Å; N385-V389 PolarHBondContact O-N 2.67Å; N385-V389 VanDerWaalsContact O-N 3.17Å
386L94.7Very high94.5Very high18 Ų1834.2 Ų34.29%0.09417%0.17CC..Hα-helixtrans-61.4-32.1-173.5-64.4-178.3000114.3V384 R388 V389 E390 V553 I588 F592V384-L386 HydrophobicContact CB-CD2 4.31Å; V384-L386 HydrophobicContact CG1-CD2 3.88Å; V384-L386 PolarHBondContact O-N 3.09Å; L386-R388 VanDerWaalsContact C-N 3.34Å; L386-R388 PolarHBondContact O-N 2.97Å; L386-V389 PolarHBondContact O-N 2.77Å; L386-E390 PolarHBondContact O-N 3.07Å; L386-V553 HydrophobicContact CD1-CG1 3.92Å; L386-V553 HydrophobicContact CD2-CG1 3.51Å; L386-V553 HydrophobicContact CG-CG1 4.36Å; L386-I588 HydrophobicContact CB-CG1 4.32Å; L386-I588 WeakPolarHBondContact CD1-O 3.47Å; L386-F592 HydrophobicContact CD1-CB 4.25Å
387E93.7Very high94.6Very high96 Ų9634.7 Ų34.745%0.44918%0.175SC..Hα-helixtrans-63.1-40.9176.7-173.6179.815400111.7N385 E390 M391 Q589N385-E387 VanDerWaalsContact C-N 3.3Å; N385-E387 PolarHBondContact O-N 3.2Å; N385-E387 WeakPolarHBondContact OD1-CB 3.37Å; N385-E387 PolarHBondContact OD1-N 2.59Å; E387-E390 WeakPolarHBondContact O-CB 3.35Å; E387-E390 PolarHBondContact O-N 2.79Å; E387-M391 PolarHBondContact O-N 3.28Å; E387-Q589 HydrophobicContact CB-CG 4.23Å; E387-Q589 PolarHBondContact OE2-NE2 3.39Å
388R94.1Very high94.5Very high53 Ų5339.9 Ų39.920%0.221%0.208CC..Hα-helixtrans-73.4-35.6178.3-59-178.6167153.61.3112.1T374 G375 G376 Y377 L378 N385 L386 E390 M391 I392T374-R388 HydrophobicContact CG2-CB 3.97Å; T374-R388 HydrophobicContact CG2-CG 4.12Å; T374-R388 PolarHBondContact O-NE 3.11Å; T374-R388 PolarHBondContact O-NH2 3.24Å; G375-R388 PolarHBondContact O-NH2 3.24Å; G375-R388 VanDerWaalsContact O-NH2 3.09Å; G376-R388 VanDerWaalsContact C-NH1 3.34Å; G376-R388 VanDerWaalsContact O-CD 3.26Å; G376-R388 WeakPolarHBondContact O-CD 3.27Å; G376-R388 PolarHBondContact O-NE 2.86Å; Y377-R388 WeakPolarHBondContact O-CD 3.26Å; Y377-R388 PolarHBondContact O-NH1 3.2Å; L378-R388 HydrophobicContact CD2-CB 3.71Å; N385-R388 HydrophobicContact CB-CB 4.44Å; N385-R388 HydrophobicContact CB-CG 4.24Å; N385-R388 PolarHBondContact O-N 2.85Å; N385-R388 PolarHBondContact OD1-N 3.48Å; L386-R388 VanDerWaalsContact C-N 3.34Å; L386-R388 PolarHBondContact O-N 2.97Å; R388-E390 VanDerWaalsContact C-N 3.31Å; R388-M391 PolarHBondContact O-N 2.86Å; R388-I392 PolarHBondContact O-N 2.85Å
389V94.3Very high94.3Very high3 Ų340.8 Ų40.82%0.01822%0.215CC..Hα-helixtrans-64-38.3172.2175.20000111.1F337 F341 L378 V384 N385 L386 M391 I392 M393 I588F337-V389 HydrophobicContact CE1-CG1 4.44Å; F337-V389 HydrophobicContact CE1-CG2 3.58Å; F337-V389 HydrophobicContact CZ-CG2 4.05Å; F341-V389 HydrophobicContact CE1-CG1 4.39Å; F341-V389 HydrophobicContact CZ-CG1 3.84Å; L378-V389 HydrophobicContact CB-CG2 4.49Å; V384-V389 HydrophobicContact CG1-CG2 3.53Å; N385-V389 PolarHBondContact O-N 2.67Å; N385-V389 VanDerWaalsContact O-N 3.17Å; L386-V389 PolarHBondContact O-N 2.77Å; V389-M391 VanDerWaalsContact C-N 3.35Å; V389-M391 PolarHBondContact O-N 3.46Å; V389-I392 PolarHBondContact O-N 3.28Å; V389-M393 HydrophobicContact CG1-CG 4.11Å; V389-M393 WeakPolarHBondContact O-CG 3.43Å; V389-M393 PolarHBondContact O-N 3.02Å; V389-I588 HydrophobicContact CB-CD1 4.41Å; V389-I588 HydrophobicContact CG1-CD1 4.19Å
390E95Very high94.1Very high25 Ų2540.6 Ų40.612%0.11721%0.214CC..Hα-helixtrans-59.5-44.9176.7-153.3-180135.500111.7L386 E387 R388 I392 M393 Q394 F585 R586 D587 I588L386-E390 PolarHBondContact O-N 3.07Å; E387-E390 WeakPolarHBondContact O-CB 3.35Å; E387-E390 PolarHBondContact O-N 2.79Å; R388-E390 VanDerWaalsContact C-N 3.31Å; E390-I392 VanDerWaalsContact C-N 3.27Å; E390-I392 PolarHBondContact O-N 3.46Å; E390-M393 PolarHBondContact O-N 3.22Å; E390-Q394 HydrophobicContact CG-CG 4.41Å; E390-Q394 WeakPolarHBondContact O-CB 3.47Å; E390-Q394 VanDerWaalsContact O-CG 3.27Å; E390-Q394 WeakPolarHBondContact O-CG 3.41Å; E390-Q394 PolarHBondContact O-N 2.88Å; E390-Q394 PolarHBondContact OE1-NE2 3.07Å; E390-F585 WeakPolarHBondContact CG-O 3.29Å; E390-R586 VanDerWaalsContact OE1-CA 3.31Å; E390-R586 WeakPolarHBondContact OE1-CA 3.27Å; E390-D587 VanDerWaalsContact CD-N 3.25Å; E390-D587 PolarHBondContact OE1-N 3.13Å; E390-D587 WeakPolarHBondContact OE2-CA 3.46Å; E390-D587 PolarHBondContact OE2-N 3.23Å; E390-D587 VanDerWaalsContact OE2-N 3.11Å; E390-I588 HydrophobicContact CB-CD1 3.99Å; E390-I588 HydrophobicContact CB-CG1 3.81Å; E390-I588 HydrophobicContact CG-CD1 4.24Å; E390-I588 HydrophobicContact CG-CG1 3.9Å; E390-I588 PolarHBondContact OE2-N 3.29Å
391M93.7Very high94Very high67 Ų6738 Ų3833%0.3320%0.204SC..Hα-helixtrans-57.9-37.5177.1-63.6-173.2-178.800112.8V370 T374 E387 R388 V389 A395V370-M391 HydrophobicContact CG1-CB 3.63Å; T374-M391 HydrophobicContact CG2-SD 4Å; E387-M391 PolarHBondContact O-N 3.28Å; R388-M391 PolarHBondContact O-N 2.86Å; V389-M391 VanDerWaalsContact C-N 3.35Å; V389-M391 PolarHBondContact O-N 3.46Å; M391-A395 WeakPolarHBondContact O-CB 3.16Å; M391-A395 PolarHBondContact O-N 2.93Å
392I93.4Very high93.9Very high4 Ų442 Ų422%0.02123%0.225CC..Hα-helixtrans-74.9-43.3176.9-67.5-176.1000111.2I366 Y367 V370 L378 R388 V389 E390 Q394 A395 V396I366-I392 HydrophobicContact CG2-CG2 4.14Å; Y367-I392 HydrophobicContact CD2-CD1 3.99Å; V370-I392 HydrophobicContact CB-CG1 3.97Å; V370-I392 HydrophobicContact CG1-CG1 3.63Å; V370-I392 HydrophobicContact CG2-CG1 4.41Å; L378-I392 HydrophobicContact CD1-CD1 3.61Å; L378-I392 HydrophobicContact CD2-CD1 3.61Å; L378-I392 HydrophobicContact CD2-CG1 4.45Å; L378-I392 HydrophobicContact CG-CD1 4.17Å; R388-I392 PolarHBondContact O-N 2.85Å; V389-I392 PolarHBondContact O-N 3.28Å; E390-I392 VanDerWaalsContact C-N 3.27Å; E390-I392 PolarHBondContact O-N 3.46Å; I392-Q394 VanDerWaalsContact C-N 3.33Å; I392-Q394 PolarHBondContact O-N 2.7Å; I392-A395 PolarHBondContact O-N 3.34Å; I392-A395 VanDerWaalsContact O-N 3.14Å; I392-V396 HydrophobicContact CG2-CG2 4.41Å; I392-V396 WeakPolarHBondContact O-CG2 3.43Å; I392-V396 PolarHBondContact O-N 3.41Å
393M94.4Very high93.8Very high0 Ų042.2 Ų42.20%023%0.226CC..Hα-helixtrans-64.7-37.3178-67.6-64.4101.600112.1F341 L350 V389 E390 V396 G397 A582 F585F341-M393 HydrophobicContact CD1-CE 3.59Å; F341-M393 HydrophobicContact CD1-SD 3.68Å; F341-M393 HydrophobicContact CD2-CE 4.28Å; F341-M393 HydrophobicContact CE1-CE 3.46Å; F341-M393 VanDerWaalsContact CE1-CE 3.46Å; F341-M393 HydrophobicContact CE1-CG 4.28Å; F341-M393 HydrophobicContact CE1-SD 3.47Å; F341-M393 WeakPolarHBondContact CE1-SD 3.47Å; F341-M393 HydrophobicContact CE2-CE 4.19Å; F341-M393 HydrophobicContact CG-CE 4.01Å; F341-M393 HydrophobicContact CZ-CE 3.79Å; F341-M393 HydrophobicContact CZ-SD 4.29Å; L350-M393 HydrophobicContact CD1-SD 3.95Å; V389-M393 HydrophobicContact CG1-CG 4.11Å; V389-M393 WeakPolarHBondContact O-CG 3.43Å; V389-M393 PolarHBondContact O-N 3.02Å; E390-M393 PolarHBondContact O-N 3.22Å; M393-V396 HydrophobicContact CE-CG2 4.4Å; M393-V396 PolarHBondContact O-N 2.88Å; M393-G397 PolarHBondContact O-N 3.22Å; M393-A582 HydrophobicContact SD-CB 4.4Å; M393-F585 HydrophobicContact CB-CB 3.57Å; M393-F585 HydrophobicContact CB-CD2 4.26Å; M393-F585 HydrophobicContact CB-CG 3.92Å; M393-F585 HydrophobicContact CG-CB 4.01Å; M393-F585 HydrophobicContact CG-CD1 4.06Å; M393-F585 HydrophobicContact CG-CD2 4.24Å; M393-F585 HydrophobicContact CG-CG 3.86Å; M393-F585 HydrophobicContact SD-CD2 4.36Å; M393-F585 HydrophobicContact SD-CE2 4.42Å
394Q94.1Very high93.7Very high95 Ų9538.5 Ų38.544%0.44421%0.21SC..Hα-helixtrans-61.7-42.6170.9-70.617915.200111.6E390 I392 G397 V398E390-Q394 HydrophobicContact CG-CG 4.41Å; E390-Q394 WeakPolarHBondContact O-CB 3.47Å; E390-Q394 VanDerWaalsContact O-CG 3.27Å; E390-Q394 WeakPolarHBondContact O-CG 3.41Å; E390-Q394 PolarHBondContact O-N 2.88Å; E390-Q394 PolarHBondContact OE1-NE2 3.07Å; I392-Q394 VanDerWaalsContact C-N 3.33Å; I392-Q394 PolarHBondContact O-N 2.7Å; Q394-G397 WeakPolarHBondContact O-CA 3.46Å; Q394-G397 PolarHBondContact O-N 2.88Å; Q394-G397 VanDerWaalsContact O-N 3.16Å; Q394-V398 PolarHBondContact O-N 3.11Å; Q394-V398 VanDerWaalsContact O-N 3.13Å
395A93.4Very high93.5Very high33 Ų3340.2 Ų40.227%0.27322%0.215SC..Hα-helixtrans-67.2-37.9177.100000113.2I366 V370 M391 I392 G397 V398I366-A395 HydrophobicContact CG2-CB 3.65Å; V370-A395 HydrophobicContact CG2-CB 3.88Å; M391-A395 WeakPolarHBondContact O-CB 3.16Å; M391-A395 PolarHBondContact O-N 2.93Å; I392-A395 PolarHBondContact O-N 3.34Å; I392-A395 VanDerWaalsContact O-N 3.14Å; A395-G397 VanDerWaalsContact C-N 3.32Å; A395-V398 PolarHBondContact O-N 3.44Å
396V93.8Very high93.4Very high0 Ų042.8 Ų42.80%022%0.223CC..Hα-helixtrans-64.6-39.5169176.70000110.3L353 L363 I366 I392 M393 V398 A399 E400 A582L353-V396 HydrophobicContact CD2-CG1 4.38Å; L363-V396 HydrophobicContact CD2-CG2 3.9Å; I366-V396 HydrophobicContact CD1-CG2 3.78Å; I366-V396 HydrophobicContact CG2-CG2 4.48Å; I392-V396 HydrophobicContact CG2-CG2 4.41Å; I392-V396 WeakPolarHBondContact O-CG2 3.43Å; I392-V396 PolarHBondContact O-N 3.41Å; M393-V396 HydrophobicContact CE-CG2 4.4Å; M393-V396 PolarHBondContact O-N 2.88Å; V396-V398 VanDerWaalsContact C-N 3.29Å; V396-V398 PolarHBondContact O-N 2.74Å; V396-A399 WeakPolarHBondContact O-CA 3.35Å; V396-A399 WeakPolarHBondContact O-CB 3.45Å; V396-A399 PolarHBondContact O-N 3.21Å; V396-E400 WeakPolarHBondContact O-CG 3.43Å; V396-E400 PolarHBondContact O-N 3.03Å; V396-A582 HydrophobicContact CB-CB 3.83Å; V396-A582 HydrophobicContact CG1-CB 3.54Å
397G94.1Very high93.1Very high16 Ų1644.6 Ų44.617%0.16523%0.229CC..Hα-helixtrans-53.9-38.6176.200000114.2M393 Q394 A395 A399M393-G397 PolarHBondContact O-N 3.22Å; Q394-G397 WeakPolarHBondContact O-CA 3.46Å; Q394-G397 PolarHBondContact O-N 2.88Å; Q394-G397 VanDerWaalsContact O-N 3.16Å; A395-G397 VanDerWaalsContact C-N 3.32Å; G397-A399 VanDerWaalsContact C-N 3.25Å; G397-A399 PolarHBondContact O-N 3.46Å
398V93.8Very high92.9Very high122 Ų12242.6 Ų42.674%0.73922%0.219SC*.Hα-helixtrans-68.4-23.7174.7174.90000112.3Q394 A395 V396Q394-V398 PolarHBondContact O-N 3.11Å; Q394-V398 VanDerWaalsContact O-N 3.13Å; A395-V398 PolarHBondContact O-N 3.44Å; V396-V398 VanDerWaalsContact C-N 3.29Å; V396-V398 PolarHBondContact O-N 2.74Å
399A91.4Very high92.7Very high21 Ų2145.8 Ų45.817%0.17424%0.236CC..Hα-helixtrans-92.9-15.5-178.500000114.6V396 G397 D401 N402 I403V396-A399 WeakPolarHBondContact O-CA 3.35Å; V396-A399 WeakPolarHBondContact O-CB 3.45Å; V396-A399 PolarHBondContact O-N 3.21Å; G397-A399 VanDerWaalsContact C-N 3.25Å; G397-A399 PolarHBondContact O-N 3.46Å; A399-D401 PolarHBondContact O-N 3.17Å; A399-N402 PolarHBondContact O-N 3.39Å; A399-I403 HydrophobicContact CB-CD1 4Å; A399-I403 VanDerWaalsContact O-CG1 3.31Å; A399-I403 WeakPolarHBondContact O-CG1 3.24Å; A399-I403 PolarHBondContact O-N 3.18Å
400E93.4Very high92.4Very high1 Ų149.4 Ų49.41%0.00526%0.255CS..Hα-helixtrans-56.8-47.9-168.5-59.5-166.8104.700113.5S352 V396 N402 I403 F404 W526 A582 S583S352-E400 WeakPolarHBondContact CB-OE1 3.31Å; S352-E400 PolarHBondContact OG-OE1 3.1Å; V396-E400 WeakPolarHBondContact O-CG 3.43Å; V396-E400 PolarHBondContact O-N 3.03Å; E400-N402 PolarHBondContact O-N 3.21Å; E400-I403 WeakPolarHBondContact O-CB 3.43Å; E400-I403 PolarHBondContact O-N 2.85Å; E400-F404 HydrophobicContact CB-CE2 3.89Å; E400-F404 HydrophobicContact CB-CZ 4.2Å; E400-F404 WeakPolarHBondContact O-CD2 3.03Å; E400-F404 WeakPolarHBondContact O-CG 3.37Å; E400-F404 PolarHBondContact O-N 3.03Å; E400-W526 HydrophobicContact CB-CH2 4.28Å; E400-W526 HydrophobicContact CB-CZ2 4.5Å; E400-A582 HydrophobicContact CG-CB 4.38Å; E400-A582 PolarHBondContact OE1-N 3.23Å; E400-A582 PolarHBondContact OE2-N 3.22Å; E400-S583 WeakPolarHBondContact OE2-CB 3.44Å; E400-S583 PolarHBondContact OE2-N 2.95Å; E400-S583 PolarHBondContact OE2-OG 3.42Å
401D92.1Very high92Very high48 Ų4850.9 Ų50.926%0.25726%0.264SS..Hα-helixtrans-61-42.5-178.8-170.473000112.4A399 I403 F404 K405 W526A399-D401 PolarHBondContact O-N 3.17Å; D401-I403 VanDerWaalsContact C-N 3.33Å; D401-I403 PolarHBondContact O-N 3.27Å; D401-F404 PolarHBondContact O-N 3.11Å; D401-K405 VanDerWaalsContact CG-NZ 3.32Å; D401-K405 WeakPolarHBondContact O-CB 3.48Å; D401-K405 WeakPolarHBondContact O-CG 3.45Å; D401-K405 PolarHBondContact O-N 3.3Å; D401-K405 IonicContact OD1-NZ 3.87Å; D401-K405 PolarHBondContact OD1-NZ 2.81Å; D401-K405 WeakPolarHBondContact OD2-CD 3.43Å; D401-K405 WeakPolarHBondContact OD2-CE 3.32Å; D401-K405 IonicContact OD2-NZ 2.92Å; D401-K405 PolarHBondContact OD2-NZ 2.73Å; D401-W526 HydrophobicContact CB-CZ2 4.42Å; D401-W526 PolarHBondContact OD1-NE1 3.44Å
402N92Very high91.7Very high114 Ų11452.5 Ų52.561%0.6127%0.271SS*.Hα-helixtrans-67.7-31.3174.8-71.8-59.1000112.5A399 E400 K406A399-N402 PolarHBondContact O-N 3.39Å; E400-N402 PolarHBondContact O-N 3.21Å; N402-K406 VanDerWaalsContact O-CB 3.28Å; N402-K406 WeakPolarHBondContact O-CB 3.49Å; N402-K406 PolarHBondContact O-N 2.85Å; N402-K406 VanDerWaalsContact O-N 3.12Å
403I92.3Very high91.4Very high6 Ų654.8 Ų54.83%0.03128%0.283CS..Hα-helixtrans-68.2-46.8174.4-68162.7000110A399 E400 D401 K406 R407A399-I403 HydrophobicContact CB-CD1 4Å; A399-I403 VanDerWaalsContact O-CG1 3.31Å; A399-I403 WeakPolarHBondContact O-CG1 3.24Å; A399-I403 PolarHBondContact O-N 3.18Å; E400-I403 WeakPolarHBondContact O-CB 3.43Å; E400-I403 PolarHBondContact O-N 2.85Å; D401-I403 VanDerWaalsContact C-N 3.33Å; D401-I403 PolarHBondContact O-N 3.27Å; I403-K406 PolarHBondContact O-N 3.1Å; I403-R407 VanDerWaalsContact O-CB 3.31Å; I403-R407 WeakPolarHBondContact O-CB 3.35Å; I403-R407 PolarHBondContact O-N 2.98Å
404F92.9Very high90.9Very high2 Ų260.4 Ų60.41%0.00931%0.308CS..Hα-helixtrans-66.6-42.6-178.9-57-40.9000112.9P351 E400 D401 R407 K408 L521 W526 F581P351-F404 HydrophobicContact CB-CE1 4.32Å; P351-F404 HydrophobicContact CB-CZ 4.3Å; E400-F404 HydrophobicContact CB-CE2 3.89Å; E400-F404 HydrophobicContact CB-CZ 4.2Å; E400-F404 WeakPolarHBondContact O-CD2 3.03Å; E400-F404 WeakPolarHBondContact O-CG 3.37Å; E400-F404 PolarHBondContact O-N 3.03Å; D401-F404 PolarHBondContact O-N 3.11Å; F404-R407 PolarHBondContact O-N 3.02Å; F404-K408 PolarHBondContact O-N 3.41Å; F404-L521 HydrophobicContact CB-CB 3.94Å; F404-L521 WeakPolarHBondContact CB-O 3.3Å; F404-L521 HydrophobicContact CD1-CB 4.02Å; F404-L521 HydrophobicContact CD1-CD1 4.11Å; F404-L521 HydrophobicContact CD2-CB 4.2Å; F404-L521 WeakPolarHBondContact CD2-O 3.44Å; F404-L521 HydrophobicContact CE1-CD1 4.1Å; F404-L521 HydrophobicContact CE2-CD2 4.33Å; F404-L521 HydrophobicContact CG-CB 3.81Å; F404-L521 HydrophobicContact CZ-CD2 4.35Å; F404-W526 HydrophobicContact CD2-CD2 4.14Å; F404-W526 HydrophobicContact CD2-CE3 4.41Å; F404-W526 HydrophobicContact CD2-CZ2 4.28Å; F404-W526 HydrophobicContact CE2-CD2 4.04Å; F404-W526 AromaticContact CE2-CE3 3.87Å; F404-W526 HydrophobicContact CE2-CE3 3.87Å; F404-W526 AromaticContact CE2-CH2 3.87Å; F404-W526 HydrophobicContact CE2-CH2 3.87Å; F404-W526 AromaticContact CE2-CZ2 3.99Å; F404-W526 HydrophobicContact CE2-CZ2 3.99Å; F404-W526 AromaticContact CE2-CZ3 3.81Å; F404-W526 HydrophobicContact CE2-CZ3 3.81Å; F404-F581 HydrophobicContact CE2-CD1 4.32Å; F404-F581 AromaticContact CE2-CE1 3.99Å; F404-F581 HydrophobicContact CE2-CE1 3.99Å; F404-F581 AromaticContact CZ-CD1 3.95Å; F404-F581 HydrophobicContact CZ-CD1 3.95Å; F404-F581 AromaticContact CZ-CE1 3.68Å; F404-F581 HydrophobicContact CZ-CE1 3.68Å
405K92.6Very high90.4Very high64 Ų6459.1 Ų59.128%0.27830%0.3SS..Hα-helixtrans-61.2-47.7175.4-74.7165179.6164.80110.8D401 R407 K408 E409 W522 D524D401-K405 VanDerWaalsContact CG-NZ 3.32Å; D401-K405 WeakPolarHBondContact O-CB 3.48Å; D401-K405 WeakPolarHBondContact O-CG 3.45Å; D401-K405 PolarHBondContact O-N 3.3Å; D401-K405 IonicContact OD1-NZ 3.87Å; D401-K405 PolarHBondContact OD1-NZ 2.81Å; D401-K405 WeakPolarHBondContact OD2-CD 3.43Å; D401-K405 WeakPolarHBondContact OD2-CE 3.32Å; D401-K405 IonicContact OD2-NZ 2.92Å; D401-K405 PolarHBondContact OD2-NZ 2.73Å; K405-R407 PolarHBondContact O-N 3.31Å; K405-K408 PolarHBondContact O-N 2.81Å; K405-E409 PolarHBondContact O-N 3.48Å; K405-W522 WeakPolarHBondContact CE-O 3.45Å; K405-W522 HydrophobicContact CG-CB 4.27Å; K405-W522 VanDerWaalsContact CG-O 3.32Å; K405-W522 WeakPolarHBondContact CG-O 3.26Å; K405-D524 IonicContact NZ-OD1 3.61Å; K405-D524 PolarHBondContact NZ-OD1 3.42Å
406K91.4Very high90Very high110 Ų11064.3 Ų64.348%0.47831%0.313SS..Hα-helixtrans-63.3-40.6175.1-176.3174.2175.9-179.50113.6N402 I403 K408 E409 D410N402-K406 VanDerWaalsContact O-CB 3.28Å; N402-K406 WeakPolarHBondContact O-CB 3.49Å; N402-K406 PolarHBondContact O-N 2.85Å; N402-K406 VanDerWaalsContact O-N 3.12Å; I403-K406 PolarHBondContact O-N 3.1Å; K406-K408 VanDerWaalsContact C-N 3.26Å; K406-K408 PolarHBondContact O-N 3.3Å; K406-E409 WeakPolarHBondContact O-CB 3.41Å; K406-E409 PolarHBondContact O-N 2.86Å; K406-D410 WeakPolarHBondContact CE-OD2 3.49Å; K406-D410 PolarHBondContact O-N 2.95Å
407R90Very high89.7Confident56 Ų5670.9 Ų70.921%0.21134%0.338CS..Hα-helixtrans-55-43.2176.8171.7-178.6-63.7162.21.9111.6P351 E357 I403 F404 K405 D410 D411P351-R407 PolarHBondContact O-NH1 3.46Å; P351-R407 PolarHBondContact O-NH2 3.28Å; P351-R407 VanDerWaalsContact O-NH2 3.07Å; E357-R407 WeakPolarHBondContact OE1-CD 3.11Å; E357-R407 VanDerWaalsContact OE1-CG 3.25Å; E357-R407 WeakPolarHBondContact OE1-CG 3.39Å; E357-R407 IonicContact OE1-CZ 2.94Å; E357-R407 IonicContact OE1-NE 2.66Å; E357-R407 PolarHBondContact OE1-NE 3.04Å; E357-R407 IonicContact OE1-NH2 3.64Å; E357-R407 IonicContact OE2-CZ 3.93Å; E357-R407 IonicContact OE2-NE 3.54Å; E357-R407 PolarHBondContact OE2-NE 3.12Å; E357-R407 IonicContact OE2-NH2 3.35Å; E357-R407 PolarHBondContact OE2-NH2 3.42Å; I403-R407 VanDerWaalsContact O-CB 3.31Å; I403-R407 WeakPolarHBondContact O-CB 3.35Å; I403-R407 PolarHBondContact O-N 2.98Å; F404-R407 PolarHBondContact O-N 3.02Å; K405-R407 PolarHBondContact O-N 3.31Å; R407-D410 PolarHBondContact O-N 3.08Å; R407-D411 PolarHBondContact O-N 3.43Å; R407-D411 VanDerWaalsContact O-N 3.08Å
408K89.3Confident89.1Confident55 Ų5574.1 Ų74.124%0.23935%0.352CS..Hα-helixtrans-64.5-45.8177-178.257.7164.7152.40111.8F404 K405 K406 D411 E412 W522F404-K408 PolarHBondContact O-N 3.41Å; K405-K408 PolarHBondContact O-N 2.81Å; K406-K408 VanDerWaalsContact C-N 3.26Å; K406-K408 PolarHBondContact O-N 3.3Å; K408-D411 PolarHBondContact O-N 3.23Å; K408-E412 WeakPolarHBondContact CE-OE1 3.47Å; K408-E412 IonicContact NZ-OE1 3.13Å; K408-E412 PolarHBondContact NZ-OE1 3.12Å; K408-E412 WeakPolarHBondContact O-CG 3.4Å; K408-E412 PolarHBondContact O-N 3.42Å; K408-W522 HydrophobicContact CB-CB 3.81Å; K408-W522 HydrophobicContact CB-CD2 4.09Å; K408-W522 HydrophobicContact CB-CE3 4.16Å; K408-W522 HydrophobicContact CB-CG 3.92Å; K408-W522 HydrophobicContact CD-CD2 3.81Å; K408-W522 HydrophobicContact CD-CE3 3.84Å; K408-W522 HydrophobicContact CD-CG 4.33Å; K408-W522 HydrophobicContact CD-CH2 4.44Å; K408-W522 HydrophobicContact CD-CZ2 4.41Å; K408-W522 HydrophobicContact CD-CZ3 4.16Å; K408-W522 HydrophobicContact CG-CB 4.14Å; K408-W522 HydrophobicContact CG-CD2 3.74Å; K408-W522 HydrophobicContact CG-CE3 4.09Å; K408-W522 HydrophobicContact CG-CG 3.71Å
409E90.3Very high88.7Confident120 Ų12073.3 Ų73.356%0.56134%0.338SS*.Hα-helixtrans-59.9-45174.6-66.4175.4178.100112.5K405 K406 E412 N413K405-E409 PolarHBondContact O-N 3.48Å; K406-E409 WeakPolarHBondContact O-CB 3.41Å; K406-E409 PolarHBondContact O-N 2.86Å; E409-E412 PolarHBondContact O-N 2.89Å; E409-N413 VanDerWaalsContact O-CB 3.28Å; E409-N413 WeakPolarHBondContact O-CB 3.42Å; E409-N413 PolarHBondContact O-N 3Å; E409-N413 PolarHBondContact O-ND2 2.87Å
410D87.6Confident88.4Confident78 Ų7876 Ų7642%0.41735%0.347SS..Hα-helixtrans-67.1-36.5-178.5-92.5-41.4000112.2K406 R407 F414K406-D410 WeakPolarHBondContact CE-OD2 3.49Å; K406-D410 PolarHBondContact O-N 2.95Å; R407-D410 PolarHBondContact O-N 3.08Å; D410-F414 WeakPolarHBondContact O-CB 3.36Å; D410-F414 PolarHBondContact O-N 3.16Å
411D85.6Confident87.9Confident56 Ų5681.6 Ų81.630%0.29937%0.371SS..Hα-helixtrans-65.1-48.1172177.452.4000112.2R407 K408 N413 F414 K415R407-D411 PolarHBondContact O-N 3.43Å; R407-D411 VanDerWaalsContact O-N 3.08Å; K408-D411 PolarHBondContact O-N 3.23Å; D411-N413 VanDerWaalsContact C-N 3.34Å; D411-N413 PolarHBondContact O-N 3.29Å; D411-F414 CarbonylContact O-C 3.55Å; D411-F414 WeakPolarHBondContact O-CA 3.38Å; D411-F414 WeakPolarHBondContact O-CB 3.48Å; D411-F414 PolarHBondContact O-N 3.06Å; D411-K415 WeakPolarHBondContact O-CB 3.47Å; D411-K415 WeakPolarHBondContact O-CG 3.36Å; D411-K415 PolarHBondContact O-N 3.05Å; D411-K415 WeakPolarHBondContact OD1-CE 3.47Å; D411-K415 IonicContact OD1-NZ 2.78Å; D411-K415 WeakPolarHBondContact OD2-CD 3.42Å; D411-K415 WeakPolarHBondContact OD2-CE 3.45Å; D411-K415 IonicContact OD2-NZ 2.68Å; D411-K415 PolarHBondContact OD2-NZ 2.94Å
412E87.2Confident87.4Confident101 Ų10186.4 Ų86.447%0.47239%0.386SS..Hα-helixtrans-63.2-40.2177.1-72.1-178.2-176.300112.1K408 E409 F414 K415 R416K408-E412 WeakPolarHBondContact CE-OE1 3.47Å; K408-E412 IonicContact NZ-OE1 3.13Å; K408-E412 PolarHBondContact NZ-OE1 3.12Å; K408-E412 WeakPolarHBondContact O-CG 3.4Å; K408-E412 PolarHBondContact O-N 3.42Å; E409-E412 PolarHBondContact O-N 2.89Å; E412-F414 VanDerWaalsContact C-N 3.31Å; E412-F414 PolarHBondContact O-N 3.13Å; E412-K415 PolarHBondContact O-N 3.18Å; E412-R416 WeakPolarHBondContact O-CB 3.33Å; E412-R416 PolarHBondContact O-N 3.01Å
413N88Confident86.9Confident53 Ų5387.6 Ų87.628%0.28339%0.385SS..Hα-helixtrans-64.9-33.2172-77.9-60.2000112E409 D411 R416 R417E409-N413 VanDerWaalsContact O-CB 3.28Å; E409-N413 WeakPolarHBondContact O-CB 3.42Å; E409-N413 PolarHBondContact O-N 3Å; E409-N413 PolarHBondContact O-ND2 2.87Å; D411-N413 VanDerWaalsContact C-N 3.34Å; D411-N413 PolarHBondContact O-N 3.29Å; N413-R416 VanDerWaalsContact OD1-CZ 3.24Å; N413-R416 PolarHBondContact OD1-NH1 2.94Å; N413-R416 PolarHBondContact OD1-NH2 2.66Å; N413-R417 WeakPolarHBondContact O-CB 3.22Å; N413-R417 VanDerWaalsContact O-CG 3.28Å; N413-R417 WeakPolarHBondContact O-CG 3.45Å; N413-R417 PolarHBondContact O-N 3.29Å; N413-R417 PolarHBondContact O-NE 3.31Å
414F84.4Confident86.3Confident117 Ų11794.6 Ų94.651%0.51341%0.412SS..Hα-helixtrans-69.7-47.6172.5-179.8-101.3000111.8D410 D411 E412 R416 R417 N418D410-F414 WeakPolarHBondContact O-CB 3.36Å; D410-F414 PolarHBondContact O-N 3.16Å; D411-F414 CarbonylContact O-C 3.55Å; D411-F414 WeakPolarHBondContact O-CA 3.38Å; D411-F414 WeakPolarHBondContact O-CB 3.48Å; D411-F414 PolarHBondContact O-N 3.06Å; E412-F414 VanDerWaalsContact C-N 3.31Å; E412-F414 PolarHBondContact O-N 3.13Å; F414-R416 PolarHBondContact O-N 3.13Å; F414-R417 PolarHBondContact O-N 3Å; F414-N418 WeakPolarHBondContact O-CB 3.34Å; F414-N418 PolarHBondContact O-N 3.5Å
415K83.3Confident85.5Confident68 Ų6898.1 Ų98.130%0.29643%0.429SS..Hα-helixtrans-57.8-44.8176.7-74.9170175.2171.30111.9D411 E412 N418 K419 E514D411-K415 WeakPolarHBondContact O-CB 3.47Å; D411-K415 WeakPolarHBondContact O-CG 3.36Å; D411-K415 PolarHBondContact O-N 3.05Å; D411-K415 WeakPolarHBondContact OD1-CE 3.47Å; D411-K415 IonicContact OD1-NZ 2.78Å; D411-K415 WeakPolarHBondContact OD2-CD 3.42Å; D411-K415 WeakPolarHBondContact OD2-CE 3.45Å; D411-K415 IonicContact OD2-NZ 2.68Å; D411-K415 PolarHBondContact OD2-NZ 2.94Å; E412-K415 PolarHBondContact O-N 3.18Å; K415-N418 PolarHBondContact O-N 2.9Å; K415-K419 WeakPolarHBondContact O-CB 3.2Å; K415-K419 PolarHBondContact O-N 3.01Å; K415-E514 WeakPolarHBondContact CE-OE1 3.4Å; K415-E514 WeakPolarHBondContact CE-OE2 3.24Å; K415-E514 IonicContact NZ-OE1 3.2Å; K415-E514 PolarHBondContact NZ-OE1 2.67Å; K415-E514 IonicContact NZ-OE2 2.71Å; K415-E514 PolarHBondContact NZ-OE2 3.45Å
416R85.8Confident84.7Confident142 Ų14299.4 Ų99.454%0.53643%0.434SS..Hα-helixtrans-58-52.6173.7-170.4173.971.7-114.6-3.3111.8E412 N413 F414 N418 K419 E420E412-R416 WeakPolarHBondContact O-CB 3.33Å; E412-R416 PolarHBondContact O-N 3.01Å; N413-R416 VanDerWaalsContact OD1-CZ 3.24Å; N413-R416 PolarHBondContact OD1-NH1 2.94Å; N413-R416 PolarHBondContact OD1-NH2 2.66Å; F414-R416 PolarHBondContact O-N 3.13Å; R416-N418 VanDerWaalsContact C-N 3.28Å; R416-N418 PolarHBondContact O-N 3.45Å; R416-K419 PolarHBondContact O-N 2.71Å; R416-E420 PolarHBondContact O-N 3.03Å
417R85.9Confident83.8Confident139 Ų13997.3 Ų97.353%0.52544%0.438SS..Hα-helixtrans-58.3-37.6177.3-75.5176.2-70.3-177.1-2.4112.6N413 F414 K421N413-R417 WeakPolarHBondContact O-CB 3.22Å; N413-R417 VanDerWaalsContact O-CG 3.28Å; N413-R417 WeakPolarHBondContact O-CG 3.45Å; N413-R417 PolarHBondContact O-N 3.29Å; N413-R417 PolarHBondContact O-NE 3.31Å; F414-R417 PolarHBondContact O-N 3Å; R417-K421 WeakPolarHBondContact O-CB 3.38Å; R417-K421 PolarHBondContact O-N 3.43Å
418N81.7Confident82.7Confident84 Ų84101.7 Ų101.745%0.44946%0.46SS..Hα-helixtrans-76.9-36.8-179.2-153.828.6000112.3F414 K415 R416 K421 R422F414-N418 WeakPolarHBondContact O-CB 3.34Å; F414-N418 PolarHBondContact O-N 3.5Å; K415-N418 PolarHBondContact O-N 2.9Å; R416-N418 VanDerWaalsContact C-N 3.28Å; R416-N418 PolarHBondContact O-N 3.45Å; N418-K421 PolarHBondContact O-N 2.88Å; N418-R422 PolarHBondContact O-N 2.95Å
419K85.8Confident81.4Confident104 Ų104107.1 Ų107.145%0.45249%0.487SS..Hα-helixtrans-64-39.9171.2-167.4165.4-173.7168.50111.2K415 R416 K423 D508K415-K419 WeakPolarHBondContact O-CB 3.2Å; K415-K419 PolarHBondContact O-N 3.01Å; R416-K419 PolarHBondContact O-N 2.71Å; K419-K423 WeakPolarHBondContact O-CB 3.1Å; K419-K423 WeakPolarHBondContact O-CG 3.42Å; K419-K423 PolarHBondContact O-N 3.27Å; K419-D508 WeakPolarHBondContact CE-OD1 3.43Å; K419-D508 IonicContact NZ-OD1 2.96Å; K419-D508 PolarHBondContact NZ-OD1 3.37Å
420E85.7Confident79.9Confident77 Ų77107.4 Ų107.436%0.3649%0.488SS..Hα-helixtrans-60.5-46.9169.3-76.3-179.2-130.700112.5R416 K423 R424R416-E420 PolarHBondContact O-N 3.03Å; E420-K423 PolarHBondContact O-N 3.38Å; E420-R424 WeakPolarHBondContact O-CG 3.34Å; E420-R424 PolarHBondContact O-N 3.19Å; E420-R424 IonicContact OE2-CZ 2.68Å; E420-R424 IonicContact OE2-NH2 2.7Å; E420-R424 PolarHBondContact OE2-NH2 3.12Å
421K82.4Confident78.3Confident120 Ų120105.9 Ų105.952%0.52249%0.491SS..Hα-helixtrans-62.5-44.2178.7-167.6-171.6176.9-166.90111.9R417 N418 K423 R424 M425R417-K421 WeakPolarHBondContact O-CB 3.38Å; R417-K421 PolarHBondContact O-N 3.43Å; N418-K421 PolarHBondContact O-N 2.88Å; K421-K423 VanDerWaalsContact C-N 3.33Å; K421-K423 PolarHBondContact O-N 2.86Å; K421-R424 PolarHBondContact O-N 3.1Å; K421-M425 HydrophobicContact CD-CE 4.44Å; K421-M425 HydrophobicContact CD-SD 4.42Å; K421-M425 HydrophobicContact CG-CE 4.21Å; K421-M425 HydrophobicContact CG-CG 4.48Å; K421-M425 HydrophobicContact CG-SD 4.23Å; K421-M425 WeakPolarHBondContact O-CG 3.07Å; K421-M425 PolarHBondContact O-N 3.41Å
422R81.1Confident76.6Confident149 Ų149108.5 Ų108.556%0.56251%0.511SS*.Hα-helixtrans-61.7-40176-164.6177-174.4-143.3-6.8111.2N418 K426 D510N418-R422 PolarHBondContact O-N 2.95Å; R422-K426 VanDerWaalsContact O-CB 3.3Å; R422-K426 WeakPolarHBondContact O-CB 2.99Å; R422-K426 PolarHBondContact O-N 3.41Å; R422-D510 IonicContact CZ-OD2 3.44Å; R422-D510 PolarHBondContact NH1-O 2.81Å; R422-D510 IonicContact NH1-OD2 3.37Å; R422-D510 PolarHBondContact NH1-OD2 3.08Å; R422-D510 IonicContact NH2-OD2 2.69Å; R422-D510 PolarHBondContact NH2-OD2 2.83Å
423K82.1Confident74.7Confident138 Ų138107.1 Ų107.160%0.652%0.517SS*.Hα-helixtrans-62.4-44.5172.7-77.1-176.3175.3-169.30112.9K419 E420 K421 K426 A427K419-K423 WeakPolarHBondContact O-CB 3.1Å; K419-K423 WeakPolarHBondContact O-CG 3.42Å; K419-K423 PolarHBondContact O-N 3.27Å; E420-K423 PolarHBondContact O-N 3.38Å; K421-K423 VanDerWaalsContact C-N 3.33Å; K421-K423 PolarHBondContact O-N 2.86Å; K423-K426 PolarHBondContact O-N 3.14Å; K423-A427 WeakPolarHBondContact O-CB 3.47Å; K423-A427 PolarHBondContact O-N 3.11Å
424R79.6Confident72.9Confident154 Ų154111.9 Ų111.958%0.58154%0.535SS*.Hα-helixtrans-62.9-50.1177-67.2176.7-155.1-160.18111.6E420 K421 K426 A427 E428E420-R424 WeakPolarHBondContact O-CG 3.34Å; E420-R424 PolarHBondContact O-N 3.19Å; E420-R424 IonicContact OE2-CZ 2.68Å; E420-R424 IonicContact OE2-NH2 2.7Å; E420-R424 PolarHBondContact OE2-NH2 3.12Å; K421-R424 PolarHBondContact O-N 3.1Å; R424-K426 VanDerWaalsContact C-N 3.32Å; R424-K426 PolarHBondContact O-N 2.82Å; R424-A427 CarbonylContact O-C 3.45Å; R424-A427 PolarHBondContact O-N 3.47Å; R424-A427 VanDerWaalsContact O-N 3.08Å; R424-E428 WeakPolarHBondContact O-CG 3.37Å; R424-E428 PolarHBondContact O-N 3.04Å
425M75.9Confident71.3Confident76 Ų76108.7 Ų108.737%0.37452%0.523SS..Hα-helixtrans-63.3-35.8178.2-64.4-176.6-49.100112.4K421 E428 Q429K421-M425 HydrophobicContact CD-CE 4.44Å; K421-M425 HydrophobicContact CD-SD 4.42Å; K421-M425 HydrophobicContact CG-CE 4.21Å; K421-M425 HydrophobicContact CG-CG 4.48Å; K421-M425 HydrophobicContact CG-SD 4.23Å; K421-M425 WeakPolarHBondContact O-CG 3.07Å; K421-M425 PolarHBondContact O-N 3.41Å; M425-E428 PolarHBondContact O-N 3.41Å; M425-Q429 WeakPolarHBondContact O-CB 3.44Å; M425-Q429 WeakPolarHBondContact O-CG 3.28Å; M425-Q429 PolarHBondContact O-N 2.78Å
426K76.8Confident69.6Low90 Ų90112.2 Ų112.239%0.39155%0.55SS.*Hα-helixtrans-63.8-40.1172.7-171.1178.6-176.8-179.60111.7R422 K423 R424 E428 Q429 Q430 E507R422-K426 VanDerWaalsContact O-CB 3.3Å; R422-K426 WeakPolarHBondContact O-CB 2.99Å; R422-K426 PolarHBondContact O-N 3.41Å; K423-K426 PolarHBondContact O-N 3.14Å; R424-K426 VanDerWaalsContact C-N 3.32Å; R424-K426 PolarHBondContact O-N 2.82Å; K426-E428 VanDerWaalsContact C-N 3.34Å; K426-Q429 PolarHBondContact O-N 3.48Å; K426-Q430 VanDerWaalsContact O-CB 3.27Å; K426-Q430 WeakPolarHBondContact O-CB 3.22Å; K426-Q430 VanDerWaalsContact O-CG 3.3Å; K426-Q430 WeakPolarHBondContact O-CG 3.18Å; K426-Q430 PolarHBondContact O-N 3.44Å; K426-E507 IonicContact NZ-OE1 2.68Å; K426-E507 PolarHBondContact NZ-OE1 3.03Å
427A72.4Confident68.1Low66 Ų66109.1 Ų109.155%0.54555%0.55SS..Hα-helixtrans-73.2-22175.400000113.8K423 R424K423-A427 WeakPolarHBondContact O-CB 3.47Å; K423-A427 PolarHBondContact O-N 3.11Å; R424-A427 CarbonylContact O-C 3.45Å; R424-A427 PolarHBondContact O-N 3.47Å; R424-A427 VanDerWaalsContact O-N 3.08Å
428E66.6Low66.9Low148 Ų148104.8 Ų104.869%0.69255%0.549SS*.Hα-helixtrans-82.1-34.2172.6-71.1163.8169.900111.8R424 M425 K426R424-E428 WeakPolarHBondContact O-CG 3.37Å; R424-E428 PolarHBondContact O-N 3.04Å; M425-E428 PolarHBondContact O-N 3.41Å; K426-E428 VanDerWaalsContact C-N 3.34Å
429Q61.8Low65.8Low170 Ų170104.5 Ų104.579%0.79454%0.544SS*.Hα-helixtrans-77.1-33.9173.5-73.2177.3-18.900112.8M425 K426 G431M425-Q429 WeakPolarHBondContact O-CB 3.44Å; M425-Q429 WeakPolarHBondContact O-CG 3.28Å; M425-Q429 PolarHBondContact O-N 2.78Å; K426-Q429 PolarHBondContact O-N 3.48Å; Q429-G431 PolarHBondContact O-N 2.88Å
430Q58.8Low64.4Low126 Ų126103.7 Ų103.759%0.58954%0.541SS*.SBendtrans-7476.6165.1-70.7179.8-21.500109.2K426K426-Q430 VanDerWaalsContact O-CB 3.27Å; K426-Q430 WeakPolarHBondContact O-CB 3.22Å; K426-Q430 VanDerWaalsContact O-CG 3.3Å; K426-Q430 WeakPolarHBondContact O-CG 3.18Å; K426-Q430 PolarHBondContact O-N 3.44Å
431G53.6Low63.2Low46 Ų46100.9 Ų100.947%0.47453%0.531SS..  trans-51156.2172.100000112Q429 A433Q429-G431 PolarHBondContact O-N 2.88Å; G431-A433 PolarHBondContact O-N 3.08Å; G431-A433 VanDerWaalsContact O-N 3.16Å
432P50.5Low61.8Low110 Ų110100.7 Ų100.771%0.71454%0.542SS*.SBendtrans-51.8124.1-169.121.8-34.1000110.9F434P432-F434 PolarHBondContact O-N 3.27Å
433A47.2Very low60.6Low73 Ų73100 Ų10060%0.60355%0.545SS*.  trans-52.4115.1-17200000110.3G431 M435G431-A433 PolarHBondContact O-N 3.08Å; G431-A433 VanDerWaalsContact O-N 3.16Å; A433-M435 PolarHBondContact O-N 3.26Å
434F49.2Very low59.3Low153 Ų15397.7 Ų97.767%0.67155%0.552SS**  trans-67.7102.1-171.9-144.3-81000108.8P432 T436P432-F434 PolarHBondContact O-N 3.27Å; F434-T436 PolarHBondContact O-N 3.1Å
435M50.4Low57.7Low50 Ų5099.3 Ų99.325%0.24657%0.571CS.*  trans-60.2133.6-176.6-74.7-177.8158.500110A433 S437 Q471A433-M435 PolarHBondContact O-N 3.26Å; M435-S437 PolarHBondContact O-N 2.95Å; M435-Q471 HydrophobicContact CE-CB 3.98Å; M435-Q471 HydrophobicContact CE-CG 4.16Å
436T49.3Very low56.8Low142 Ų14299.3 Ų99.387%0.87159%0.591SS**SBendtrans-76.824.8-17855.50000112.9F434F434-T436 PolarHBondContact O-N 3.1Å
437S54.3Low55.5Low76 Ų76104.1 Ų104.153%0.53161%0.606SS.*  trans-153.1151.1-175.354.40000111.4M435M435-S437 PolarHBondContact O-N 2.95Å
438G60.7Low54.5Low48 Ų48112.9 Ų112.950%0.49563%0.625SS.*SBendtrans112164.9-174.800000113.1F440 A441G438-F440 PolarHBondContact O-N 3.48Å; G438-F440 VanDerWaalsContact O-N 3.14Å; G438-A441 WeakPolarHBondContact O-CB 3.37Å; G438-A441 PolarHBondContact O-N 2.94Å
439Q57.8Low54Low78 Ų78110.2 Ų110.236%0.36462%0.616SS.*THydrogen-bonded Turntrans-64.6-15.7-177.7-78.4-175.6-3.600114.1E452Q439-E452 PolarHBondContact NE2-OE2 2.95Å
440F57.2Low53.6Low88 Ų88113.3 Ų113.339%0.38662%0.62SS.*THydrogen-bonded Turntrans-97.60.2174.2-68.7-75000114.4G438 V454 A457 Q460 M464G438-F440 PolarHBondContact O-N 3.48Å; G438-F440 VanDerWaalsContact O-N 3.14Å; F440-V454 HydrophobicContact CE1-CG1 4.48Å; F440-V454 HydrophobicContact CE2-CG1 4.3Å; F440-V454 HydrophobicContact CZ-CG1 3.71Å; F440-V454 HydrophobicContact CZ-CG2 4.46Å; F440-A457 HydrophobicContact CZ-CB 3.92Å; F440-Q460 HydrophobicContact CD2-CB 4.48Å; F440-Q460 HydrophobicContact CE2-CB 3.89Å; F440-M464 HydrophobicContact CB-SD 4.34Å; F440-M464 HydrophobicContact CD2-SD 4.11Å
441A58.7Low53.4Low17 Ų17112.6 Ų112.614%0.1463%0.627CS.*SBendtrans-72.3136.4176.400000110.5G438 Q443G438-A441 WeakPolarHBondContact O-CB 3.37Å; G438-A441 PolarHBondContact O-N 2.94Å; A441-Q443 PolarHBondContact O-N 3.03Å; A441-Q443 VanDerWaalsContact O-N 3.16Å
442P53.8Low53.6Low116 Ų116116.9 Ų116.975%0.75363%0.634SS**PPolyproline II helixtrans-65.6116.3-179.326.2-33.8000110.9
443Q56.3Low53.9Low135 Ų135115.8 Ų115.863%0.63163%0.627SS**PPolyproline II helixtrans-87.7144.6176.4-62.9-172.21.100111.3A441A441-Q443 PolarHBondContact O-N 3.03Å; A441-Q443 VanDerWaalsContact O-N 3.16Å
444A54.2Low54.5Low89 Ų89115.4 Ų115.474%0.73662%0.617SS**PPolyproline II helixtrans-68.1131.7173.400000111G446A444-G446 PolarHBondContact O-N 3.06Å
445L45.8Very low54.9Low188 Ų188116.4 Ų116.498%0.98462%0.623SS**THydrogen-bonded Turntrans-58.5118.5176.7-72.9166000110.6
446G57.1Low55.8Low77 Ų77118.2 Ų118.279%0.79463%0.634SS**THydrogen-bonded Turntrans137.1-13.3173.500000116.5A444A444-G446 PolarHBondContact O-N 3.06Å
447R50.8Low56.5Low190 Ų190113.8 Ų113.872%0.71761%0.612SS**  trans-68.6145.6171.6-96.8-175.6171.6-94.9-0.3111.7D449R447-D449 WeakPolarHBondContact CD-OD2 3.23Å; R447-D449 IonicContact CZ-OD2 3.71Å; R447-D449 IonicContact NE-OD2 2.85Å; R447-D449 IonicContact NH1-OD2 2.71Å; R447-D449 PolarHBondContact NH1-OD2 3.02Å
448R49.9Very low56.8Low250 Ų250120.7 Ų120.794%0.94363%0.626SS**  trans-900.2177.7-82.5-173.6170.9-175.5-2.1114R450R448-R450 PolarHBondContact O-N 3.33Å
449D55.7Low57.3Low92 Ų92124.8 Ų124.849%0.49263%0.628SS.*SBendtrans-72.7122.3175.7-51-61.1000108.9R447R447-D449 WeakPolarHBondContact CD-OD2 3.23Å; R447-D449 IonicContact CZ-OD2 3.71Å; R447-D449 IonicContact NE-OD2 2.85Å; R447-D449 IonicContact NH1-OD2 2.71Å; R447-D449 PolarHBondContact NH1-OD2 3.02Å
450R54Low57.6Low236 Ų236123.5 Ų123.589%0.89162%0.622SS**PPolyproline II helixtrans-66.8135176.1-76.9-178170.7-178.9-3.1109.3R448 E452R448-R450 PolarHBondContact O-N 3.33Å; R450-E452 PolarHBondContact O-N 2.64Å
451P55Low57.9Low111 Ų111121.1 Ų121.172%0.72162%0.618SS**PPolyproline II helixtrans-62.7128.3168.127.4-33.2000109
452E58Low58.4Low135 Ų135126.5 Ų126.563%0.63164%0.636SS**PPolyproline II helixtrans-66.6144.3175.2-72.2-168.9135.800110.9Q439 R450 V454Q439-E452 PolarHBondContact NE2-OE2 2.95Å; R450-E452 PolarHBondContact O-N 2.64Å; E452-V454 PolarHBondContact O-N 2.78Å
453P56.8Low59.1Low87 Ų87123.4 Ų123.457%0.56561%0.613SS**PPolyproline II helixtrans-65.1125.6176.526.8-33.7000110.6H455P453-H455 VanDerWaalsContact C-N 3.31Å; P453-H455 PolarHBondContact O-CD2 3.41Å; P453-H455 VanDerWaalsContact O-CD2 3.27Å; P453-H455 PolarHBondContact O-N 2.87Å
454V58.8Low59.4Low65 Ų65119.4 Ų119.439%0.39460%0.595SS.*  trans-70.883.7-179.5-177.60000110.3F440 E452 N456 A457F440-V454 HydrophobicContact CE1-CG1 4.48Å; F440-V454 HydrophobicContact CE2-CG1 4.3Å; F440-V454 HydrophobicContact CZ-CG1 3.71Å; F440-V454 HydrophobicContact CZ-CG2 4.46Å; E452-V454 PolarHBondContact O-N 2.78Å; V454-N456 VanDerWaalsContact C-N 3.26Å; V454-N456 PolarHBondContact O-N 2.9Å; V454-A457 HydrophobicContact CG1-CB 3.72Å
455H58.6Low59.9Low174 Ų174122.9 Ų122.981%0.80659%0.589SS**THydrogen-bonded Turntrans-63.4-25.3-174.6-78.5-69.1000114.3P453P453-H455 VanDerWaalsContact C-N 3.31Å; P453-H455 PolarHBondContact O-CD2 3.41Å; P453-H455 VanDerWaalsContact O-CD2 3.27Å; P453-H455 PolarHBondContact O-N 2.87Å
456N69.8Low60.9Low89 Ų89118.4 Ų118.448%0.47656%0.564SS.*THydrogen-bonded Turntrans-154.286.5170.8-169.2-18.4000112.1V454 R458 Y459 Q460V454-N456 VanDerWaalsContact C-N 3.26Å; V454-N456 PolarHBondContact O-N 2.9Å; N456-R458 PolarHBondContact O-N 2.84Å; N456-R458 VanDerWaalsContact O-N 3.16Å; N456-R458 PolarHBondContact OD1-N 2.9Å; N456-Y459 PolarHBondContact O-N 2.93Å; N456-Y459 VanDerWaalsContact O-N 3.09Å; N456-Y459 PolarHBondContact OD1-N 2.9Å; N456-Y459 VanDerWaalsContact OD1-N 3.15Å; N456-Q460 PolarHBondContact O-N 2.9Å; N456-Q460 VanDerWaalsContact O-N 3.17Å
457A63.6Low61.3Low49 Ų49119.9 Ų119.941%0.40555%0.551SS.*Hα-helixtrans-54.6-34.5179.200000113.3F440 V454 A461F440-A457 HydrophobicContact CZ-CB 3.92Å; V454-A457 HydrophobicContact CG1-CB 3.72Å; A457-A461 WeakPolarHBondContact O-CB 3.47Å; A457-A461 PolarHBondContact O-N 2.86Å
458R60.7Low61.7Low220 Ų220111.8 Ų111.883%0.8352%0.523SS*.Hα-helixtrans-72.1-31-178.4-168.2174.5-175.1162.12.1112.5N456 Y462N456-R458 PolarHBondContact O-N 2.84Å; N456-R458 VanDerWaalsContact O-N 3.16Å; N456-R458 PolarHBondContact OD1-N 2.9Å; R458-Y462 PolarHBondContact O-N 3.11Å
459Y69.9Low62.2Low135 Ų135103.7 Ų103.753%0.52950%0.501SS..Hα-helixtrans-76.4-46.1175.8-172.9-87000111.4N456 A461 Y462 D463N456-Y459 PolarHBondContact O-N 2.93Å; N456-Y459 VanDerWaalsContact O-N 3.09Å; N456-Y459 PolarHBondContact OD1-N 2.9Å; N456-Y459 VanDerWaalsContact OD1-N 3.15Å; Y459-A461 PolarHBondContact O-N 3.43Å; Y459-Y462 WeakPolarHBondContact O-CA 3.46Å; Y459-Y462 VanDerWaalsContact O-CB 3.28Å; Y459-Y462 WeakPolarHBondContact O-CB 3.29Å; Y459-Y462 PolarHBondContact O-N 2.93Å; Y459-D463 WeakPolarHBondContact CE1-OD2 3.17Å; Y459-D463 PolarHBondContact O-N 3.23Å
460Q65.1Low62.7Low50 Ų50104.3 Ų104.323%0.23450%0.501CS..Hα-helixtrans-63.8-39.2175.5-75.3177.4-13.500112.6F440 N456 Y462 D463 M464F440-Q460 HydrophobicContact CD2-CB 4.48Å; F440-Q460 HydrophobicContact CE2-CB 3.89Å; N456-Q460 PolarHBondContact O-N 2.9Å; N456-Q460 VanDerWaalsContact O-N 3.17Å; Q460-Y462 PolarHBondContact O-N 2.84Å; Q460-D463 PolarHBondContact O-N 2.79Å; Q460-M464 WeakPolarHBondContact O-CG 3.27Å; Q460-M464 PolarHBondContact O-N 2.82Å
461A63.2Low63.2Low38 Ų3897.7 Ų97.731%0.31448%0.48SS..Hα-helixtrans-70.4-4.7171.800000113.7A457 Y459 R465A457-A461 WeakPolarHBondContact O-CB 3.47Å; A457-A461 PolarHBondContact O-N 2.86Å; Y459-A461 PolarHBondContact O-N 3.43Å; A461-R465 VanDerWaalsContact O-CZ 3.24Å; A461-R465 PolarHBondContact O-NE 3.33Å; A461-R465 PolarHBondContact O-NH2 3.14Å
462Y69.9Low63.5Low130 Ų13097.7 Ų97.751%0.5147%0.47SS..Hα-helixtrans-91.9-50166.3174.3-91.9000110R458 Y459 Q460 M464 R465 M466R458-Y462 PolarHBondContact O-N 3.11Å; Y459-Y462 WeakPolarHBondContact O-CA 3.46Å; Y459-Y462 VanDerWaalsContact O-CB 3.28Å; Y459-Y462 WeakPolarHBondContact O-CB 3.29Å; Y459-Y462 PolarHBondContact O-N 2.93Å; Q460-Y462 PolarHBondContact O-N 2.84Å; Y462-M464 PolarHBondContact O-N 2.89Å; Y462-R465 WeakPolarHBondContact O-CA 3.44Å; Y462-R465 WeakPolarHBondContact O-CB 3.13Å; Y462-R465 PolarHBondContact O-N 2.8Å; Y462-M466 HydrophobicContact CD1-CG 4.03Å; Y462-M466 HydrophobicContact CE1-CG 3.61Å; Y462-M466 HydrophobicContact CE1-SD 4.35Å; Y462-M466 HydrophobicContact CE2-CG 4.37Å; Y462-M466 HydrophobicContact CE2-SD 4.35Å; Y462-M466 PolarHBondContact O-N 3.17Å
463D67.8Low63.9Low52 Ų5296.3 Ų96.328%0.27847%0.467SS..Hα-helixtrans-57.4-43.7177.5-80.7-1.4000112.8Y459 Q460 R465 M466 Q467Y459-D463 WeakPolarHBondContact CE1-OD2 3.17Å; Y459-D463 PolarHBondContact O-N 3.23Å; Q460-D463 PolarHBondContact O-N 2.79Å; D463-R465 PolarHBondContact O-N 2.77Å; D463-M466 PolarHBondContact O-N 3.22Å; D463-M466 VanDerWaalsContact O-N 3.15Å; D463-Q467 WeakPolarHBondContact O-CB 3.41Å; D463-Q467 WeakPolarHBondContact O-CG 3.29Å; D463-Q467 PolarHBondContact O-N 3.05Å
464M63.5Low64.4Low50 Ų5097 Ų9725%0.24646%0.461CS..Hα-helixtrans-61.2-32175.4-70.7-178.674.200112.6F440 Q460 Y462 S468F440-M464 HydrophobicContact CB-SD 4.34Å; F440-M464 HydrophobicContact CD2-SD 4.11Å; Q460-M464 WeakPolarHBondContact O-CG 3.27Å; Q460-M464 PolarHBondContact O-N 2.82Å; Y462-M464 PolarHBondContact O-N 2.89Å; M464-S468 VanDerWaalsContact O-CB 3.27Å; M464-S468 WeakPolarHBondContact O-CB 2.92Å; M464-S468 PolarHBondContact O-N 2.92Å
465R63.3Low64.7Low163 Ų16397.6 Ų97.662%0.61546%0.463SS*.Hα-helixtrans-74.7-40174.1-89.8-179.8-74-162-7111.9A461 Y462 D463 S468 V469A461-R465 VanDerWaalsContact O-CZ 3.24Å; A461-R465 PolarHBondContact O-NE 3.33Å; A461-R465 PolarHBondContact O-NH2 3.14Å; Y462-R465 WeakPolarHBondContact O-CA 3.44Å; Y462-R465 WeakPolarHBondContact O-CB 3.13Å; Y462-R465 PolarHBondContact O-N 2.8Å; D463-R465 PolarHBondContact O-N 2.77Å; R465-S468 PolarHBondContact O-N 3.28Å; R465-V469 WeakPolarHBondContact O-CG2 3.42Å; R465-V469 PolarHBondContact O-N 3.43Å
466M67.1Low64.7Low94 Ų9492.2 Ų92.246%0.46345%0.448SS..Hα-helixtrans-62.8-45174.4-67.6-56.9-61.800111.3Y462 D463 V469 E470Y462-M466 HydrophobicContact CD1-CG 4.03Å; Y462-M466 HydrophobicContact CE1-CG 3.61Å; Y462-M466 HydrophobicContact CE1-SD 4.35Å; Y462-M466 HydrophobicContact CE2-CG 4.37Å; Y462-M466 HydrophobicContact CE2-SD 4.35Å; Y462-M466 PolarHBondContact O-N 3.17Å; D463-M466 PolarHBondContact O-N 3.22Å; D463-M466 VanDerWaalsContact O-N 3.15Å; M466-V469 PolarHBondContact O-N 2.91Å; M466-E470 WeakPolarHBondContact O-CB 3.31Å; M466-E470 PolarHBondContact O-N 3.23Å
467Q65.2Low64.5Low108 Ų10890.6 Ų90.651%0.50545%0.447SS..Hα-helixtrans-63.6-42.4175.5-70.6175.26.100112D463 V469 E470 Q471D463-Q467 WeakPolarHBondContact O-CB 3.41Å; D463-Q467 WeakPolarHBondContact O-CG 3.29Å; D463-Q467 PolarHBondContact O-N 3.05Å; Q467-V469 PolarHBondContact O-N 3.09Å; Q467-E470 PolarHBondContact O-N 3.43Å; Q467-Q471 VanDerWaalsContact O-CB 3.29Å; Q467-Q471 WeakPolarHBondContact O-CB 3.32Å; Q467-Q471 PolarHBondContact O-N 2.88Å
468S59.8Low64.6Low20 Ų2094.8 Ų94.814%0.1446%0.458CS..Hα-helixtrans-60.1-43.9173.8172.80000112.6M464 R465 Q471 H472M464-S468 VanDerWaalsContact O-CB 3.27Å; M464-S468 WeakPolarHBondContact O-CB 2.92Å; M464-S468 PolarHBondContact O-N 2.92Å; R465-S468 PolarHBondContact O-N 3.28Å; S468-Q471 PolarHBondContact O-N 3.12Å; S468-H472 PolarHBondContact O-CD2 3.32Å; S468-H472 PolarHBondContact O-N 2.7Å
469V60.7Low64.6Low80 Ų8087.1 Ų87.149%0.48544%0.438SS..Hα-helixtrans-64.9-41.4175.2169.30000111.5R465 M466 Q467 H472 N473R465-V469 WeakPolarHBondContact O-CG2 3.42Å; R465-V469 PolarHBondContact O-N 3.43Å; M466-V469 PolarHBondContact O-N 2.91Å; Q467-V469 PolarHBondContact O-N 3.09Å; V469-H472 PolarHBondContact O-N 3.34Å; V469-N473 WeakPolarHBondContact O-CB 3.27Å; V469-N473 PolarHBondContact O-N 2.85Å; V469-N473 PolarHBondContact O-ND2 3.48Å
470E64.9Low64.1Low104 Ų10485.9 Ų85.949%0.48644%0.44SS..Hα-helixtrans-67.8-37.8177.8-157.8-170.4144.300112.2M466 Q467 N473 K474M466-E470 WeakPolarHBondContact O-CB 3.31Å; M466-E470 PolarHBondContact O-N 3.23Å; Q467-E470 PolarHBondContact O-N 3.43Å; E470-N473 PolarHBondContact O-N 2.77Å; E470-K474 VanDerWaalsContact O-CG 3.31Å; E470-K474 WeakPolarHBondContact O-CG 3.45Å; E470-K474 PolarHBondContact O-N 3.1Å; E470-K474 WeakPolarHBondContact OE1-CE 3.49Å; E470-K474 IonicContact OE1-NZ 2.95Å; E470-K474 PolarHBondContact OE1-NZ 3.07Å
471Q64.5Low64.2Low97 Ų9791 Ų9145%0.45346%0.462SS..Hα-helixtrans-62.1-51.8173.6-161.183.18.800110.5M435 Q467 S468 N473 K474 D475M435-Q471 HydrophobicContact CE-CB 3.98Å; M435-Q471 HydrophobicContact CE-CG 4.16Å; Q467-Q471 VanDerWaalsContact O-CB 3.29Å; Q467-Q471 WeakPolarHBondContact O-CB 3.32Å; Q467-Q471 PolarHBondContact O-N 2.88Å; S468-Q471 PolarHBondContact O-N 3.12Å; Q471-N473 VanDerWaalsContact C-N 3.29Å; Q471-N473 PolarHBondContact O-N 2.76Å; Q471-K474 WeakPolarHBondContact O-CB 3.32Å; Q471-K474 PolarHBondContact O-N 3.44Å; Q471-K474 VanDerWaalsContact O-N 3.08Å; Q471-D475 PolarHBondContact O-N 2.69Å
472H61.6Low64Low111 Ų11192.4 Ų92.451%0.51447%0.469SS..Hα-helixtrans-59.7-37.5176.6-81.7-59.1000112.8S468 V469 D475 A476S468-H472 PolarHBondContact O-CD2 3.32Å; S468-H472 PolarHBondContact O-N 2.7Å; V469-H472 PolarHBondContact O-N 3.34Å; H472-D475 PolarHBondContact O-N 2.77Å; H472-A476 VanDerWaalsContact O-CB 3.23Å; H472-A476 WeakPolarHBondContact O-CB 3.46Å; H472-A476 PolarHBondContact O-N 2.64Å
473N66.4Low63.2Low106 Ų10693 Ų9357%0.56748%0.479SS*.Hα-helixtrans-66.9-38.2174.8-74.6-25.6000112.3V469 E470 Q471 A477V469-N473 WeakPolarHBondContact O-CB 3.27Å; V469-N473 PolarHBondContact O-N 2.85Å; V469-N473 PolarHBondContact O-ND2 3.48Å; E470-N473 PolarHBondContact O-N 2.77Å; Q471-N473 VanDerWaalsContact C-N 3.29Å; Q471-N473 PolarHBondContact O-N 2.76Å; N473-A477 VanDerWaalsContact O-CB 3.28Å; N473-A477 WeakPolarHBondContact O-CB 3.44Å; N473-A477 PolarHBondContact O-N 3.09Å
474K68.8Low62.7Low101 Ų10197.7 Ų97.744%0.43950%0.501SS..Hα-helixtrans-66.4-45174.1-74166-175.7166.10111.6E470 Q471 A477 Q478E470-K474 VanDerWaalsContact O-CG 3.31Å; E470-K474 WeakPolarHBondContact O-CG 3.45Å; E470-K474 PolarHBondContact O-N 3.1Å; E470-K474 WeakPolarHBondContact OE1-CE 3.49Å; E470-K474 IonicContact OE1-NZ 2.95Å; E470-K474 PolarHBondContact OE1-NZ 3.07Å; Q471-K474 WeakPolarHBondContact O-CB 3.32Å; Q471-K474 PolarHBondContact O-N 3.44Å; Q471-K474 VanDerWaalsContact O-N 3.08Å; K474-A477 PolarHBondContact O-N 3.48Å; K474-Q478 WeakPolarHBondContact O-CG 3.34Å; K474-Q478 PolarHBondContact O-N 2.76Å
475D63.3Low62.3Low79 Ų79105.9 Ų105.942%0.42253%0.529SS..Hα-helixtrans-65.3-41.9178.9-67-16.1000111.5Q471 H472 Q478 S479Q471-D475 PolarHBondContact O-N 2.69Å; H472-D475 PolarHBondContact O-N 2.77Å; D475-Q478 PolarHBondContact O-N 2.83Å; D475-S479 WeakPolarHBondContact O-CB 2.87Å; D475-S479 PolarHBondContact O-N 3.41Å
476A59.8Low61.5Low60 Ų60105.5 Ų105.550%0.49654%0.539SS..Hα-helixtrans-62-43.6173.100000111.8H472 S479 L480H472-A476 VanDerWaalsContact O-CB 3.23Å; H472-A476 WeakPolarHBondContact O-CB 3.46Å; H472-A476 PolarHBondContact O-N 2.64Å; A476-S479 PolarHBondContact O-N 3.34Å; A476-L480 WeakPolarHBondContact O-CB 3.35Å; A476-L480 PolarHBondContact O-N 2.94Å
477A65.2Low60.2Low56 Ų56104.9 Ų104.946%0.46356%0.556SS.*Hα-helixtrans-66.7-35176.600000113N473 K474 K481N473-A477 VanDerWaalsContact O-CB 3.28Å; N473-A477 WeakPolarHBondContact O-CB 3.44Å; N473-A477 PolarHBondContact O-N 3.09Å; K474-A477 PolarHBondContact O-N 3.48Å; A477-K481 WeakPolarHBondContact O-CB 3.46Å; A477-K481 PolarHBondContact O-N 2.67Å
478Q65.6Low58.8Low136 Ų136102.8 Ų102.864%0.63656%0.564SS**Hα-helixtrans-68.6-42.8172.1-74.5-169.517.500111.9K474 D475 L480 K481 S482K474-Q478 WeakPolarHBondContact O-CG 3.34Å; K474-Q478 PolarHBondContact O-N 2.76Å; D475-Q478 PolarHBondContact O-N 2.83Å; Q478-L480 VanDerWaalsContact C-N 3.32Å; Q478-L480 PolarHBondContact O-N 2.84Å; Q478-K481 CarbonylContact O-C 3.55Å; Q478-K481 WeakPolarHBondContact O-CB 3.27Å; Q478-K481 PolarHBondContact O-N 2.88Å; Q478-S482 PolarHBondContact O-N 3.43Å
479S61.6Low57.5Low59 Ų59114.2 Ų114.241%0.41360%0.604SS.*Hα-helixtrans-65.4-35.1177.1-165.90000112.2D475 A476 S482 M483D475-S479 WeakPolarHBondContact O-CB 2.87Å; D475-S479 PolarHBondContact O-N 3.41Å; A476-S479 PolarHBondContact O-N 3.34Å; S479-S482 PolarHBondContact O-N 2.93Å; S479-S482 PolarHBondContact O-OG 3.03Å; S479-M483 WeakPolarHBondContact O-CG 3.36Å; S479-M483 PolarHBondContact O-N 2.88Å; S479-M483 VanDerWaalsContact O-N 3.13Å
480L58.3Low56.2Low109 Ų109116.1 Ų116.157%0.57162%0.621SS**Hα-helixtrans-66.9-42.5172.5-164.271.9000110.7A476 Q478 S482 M483 M484A476-L480 WeakPolarHBondContact O-CB 3.35Å; A476-L480 PolarHBondContact O-N 2.94Å; Q478-L480 VanDerWaalsContact C-N 3.32Å; Q478-L480 PolarHBondContact O-N 2.84Å; L480-S482 PolarHBondContact O-N 2.74Å; L480-M483 PolarHBondContact O-N 2.9Å; L480-M484 WeakPolarHBondContact O-CG 3.43Å; L480-M484 PolarHBondContact O-N 3.01Å
481K67.1Low54.6Low157 Ų157117.1 Ų117.168%0.68364%0.64SS**Hα-helixtrans-63.1-34.3174.8-93.2-179.8172.9175.40114A477 Q478 R485A477-K481 WeakPolarHBondContact O-CB 3.46Å; A477-K481 PolarHBondContact O-N 2.67Å; Q478-K481 CarbonylContact O-C 3.55Å; Q478-K481 WeakPolarHBondContact O-CB 3.27Å; Q478-K481 PolarHBondContact O-N 2.88Å; K481-R485 PolarHBondContact O-N 2.97Å
482S59.8Low53Low68 Ų68117.5 Ų117.548%0.47666%0.659SS.*Hα-helixtrans-74.2-4117763.60000111.7Q478 S479 L480 M484 R485Q478-S482 PolarHBondContact O-N 3.43Å; S479-S482 PolarHBondContact O-N 2.93Å; S479-S482 PolarHBondContact O-OG 3.03Å; L480-S482 PolarHBondContact O-N 2.74Å; S482-M484 VanDerWaalsContact C-N 3.33Å; S482-M484 PolarHBondContact O-N 2.92Å; S482-R485 PolarHBondContact O-N 3.42Å; S482-R485 VanDerWaalsContact O-N 3.12Å
483M53.1Low51.4Low142 Ų142115.9 Ų115.970%0.767%0.672SS**Hα-helixtrans-57.9-44.2171.3-71.4-179.3-178.600111.9S479 L480 R485S479-M483 WeakPolarHBondContact O-CG 3.36Å; S479-M483 PolarHBondContact O-N 2.88Å; S479-M483 VanDerWaalsContact O-N 3.13Å; L480-M483 PolarHBondContact O-N 2.9Å; M483-R485 VanDerWaalsContact C-N 3.25Å; M483-R485 PolarHBondContact O-N 2.95Å
484M57.1Low49.9Very low152 Ų152118.1 Ų118.175%0.74969%0.689SS**Hα-helixtrans-69.5-16.5177.7-68-177.780.200114.3L480 S482L480-M484 WeakPolarHBondContact O-CG 3.43Å; L480-M484 PolarHBondContact O-N 3.01Å; S482-M484 VanDerWaalsContact C-N 3.33Å; S482-M484 PolarHBondContact O-N 2.92Å
485R54.5Low47.9Very low222 Ų222119 Ų11984%0.83871%0.709SS**Hα-helixtrans-85.5-19.8-179.3-98-174.3166.6-169.9-5115K481 S482 M483 G487K481-R485 PolarHBondContact O-N 2.97Å; S482-R485 PolarHBondContact O-N 3.42Å; S482-R485 VanDerWaalsContact O-N 3.12Å; M483-R485 VanDerWaalsContact C-N 3.25Å; M483-R485 PolarHBondContact O-N 2.95Å; R485-G487 VanDerWaalsContact C-N 3.27Å; R485-G487 PolarHBondContact O-N 3.28Å
486N47.6Very low46.3Very low155 Ų155122.7 Ų122.783%0.82973%0.728SS**SBendtrans-81.21.6-177.8-95.315.1000114.7G488N486-G488 PolarHBondContact O-N 2.99Å
487G40.3Very low44.8Very low80 Ų80123 Ų12383%0.82574%0.738SS**SBendtrans-91.850.1-178.400000115.4R485R485-G487 VanDerWaalsContact C-N 3.27Å; R485-G487 PolarHBondContact O-N 3.28Å
488G34.1Very low43.4Very low64 Ų64126.9 Ų126.966%0.6676%0.756SS**SBendtrans-174.286.5-178.100000120.2N486N486-G488 PolarHBondContact O-N 2.99Å
489R33.2Very low41.7Very low260 Ų260127.6 Ų127.698%0.98176%0.764SS**  trans61.6168.1156.9-76.6-177.7168.5172.5-3.5118.2
490S34.5Very low40.4Very low120 Ų120136 Ų13684%0.83979%0.787SS**  trans-130.6141.4-163.132.30000112.9
491S31.3Very low39Very low126 Ų126134 Ų13488%0.88179%0.792SS**  trans-172.5166143.7-160.40000111.8
492A30.6Very low37.5Very low104 Ų104132.8 Ų132.886%0.8680%0.797SS**  trans-59.7156.5-170.100000117.9
493G28.3Very low36.1Very low77 Ų77139.3 Ų139.379%0.79482%0.817SS**  trans169.7134.116500000112.1
494V34Very low35.2Very low153 Ų153143.9 Ų143.993%0.92783%0.827SS**  trans-121.5129.2-177.9173.60000110.9
495S27.4Very low33.9Very low121 Ų121146.2 Ų146.285%0.84683%0.833SS**  trans-160.8161146.354.90000111.7
496D29.9Very low32.8Very low155 Ų155141.9 Ų141.983%0.82983%0.826SS**  trans-83.8161.8-169.2-17220.1000113.7
497G27.2Very low32.3Very low68 Ų68141.3 Ų141.370%0.70182%0.818SS**  trans170.492.3179.900000112.6D499G497-D499 PolarHBondContact O-N 2.99Å
498T35.9Very low32.2Very low136 Ų136142.1 Ų142.183%0.83480%0.804SS**  trans-64.3124.3-174.154.90000114.4
499D29.3Very low32.4Very low151 Ų151144.1 Ų144.181%0.80781%0.808SS**  trans-140.3139.2151.6-169.411.3000110.8G497 G501G497-D499 PolarHBondContact O-N 2.99Å; D499-G501 VanDerWaalsContact C-N 3.31Å; D499-G501 PolarHBondContact O-N 3.2Å; D499-G501 VanDerWaalsContact O-N 3.09Å
500R35.1Very low33Very low236 Ų236136.6 Ų136.689%0.89179%0.787SS**  trans-87.570.7-179.5-79-174.9170.7179.5-2.1110.2V502R500-V502 PolarHBondContact O-N 2.93Å
501G29.2Very low33.5Very low66 Ų66134.9 Ų134.968%0.6878%0.775SS**  trans-51.4110178.100000112.7D499 K503D499-G501 VanDerWaalsContact C-N 3.31Å; D499-G501 PolarHBondContact O-N 3.2Å; D499-G501 VanDerWaalsContact O-N 3.09Å; G501-K503 PolarHBondContact O-N 2.86Å; G501-K503 VanDerWaalsContact O-N 3.13Å
502V34.3Very low34.3Very low132 Ų132137.5 Ų137.580%0.877%0.773SS**  trans-59.3117.8175.61750000108.9R500 R504R500-V502 PolarHBondContact O-N 2.93Å; V502-R504 VanDerWaalsContact C-N 3.34Å; V502-R504 PolarHBondContact O-N 3.01Å
503K30.6Very low35.2Very low206 Ų206138.5 Ų138.590%0.89677%0.771SS**  trans-65.888.8-177.9-158.1178.6-169.3-179.10109.7G501 K505G501-K503 PolarHBondContact O-N 2.86Å; G501-K503 VanDerWaalsContact O-N 3.13Å; K503-K505 PolarHBondContact O-N 3.24Å; K503-K505 VanDerWaalsContact O-N 3.14Å
504R35.8Very low36.7Very low238 Ų238140.8 Ų140.890%0.89876%0.761SS**  trans-55.2118.9-180-70-175.1178.8-178.5-0.8109.1V502 N506V502-R504 VanDerWaalsContact C-N 3.34Å; V502-R504 PolarHBondContact O-N 3.01Å; R504-N506 PolarHBondContact O-N 2.93Å
505K29.6Very low38Very low200 Ų200138.1 Ų138.187%0.8775%0.747SS**  trans-56.7131.5171.5-116.2-174.6176.3-171.80108K503 E507K503-K505 PolarHBondContact O-N 3.24Å; K503-K505 VanDerWaalsContact O-N 3.14Å; K505-E507 PolarHBondContact O-N 3.28Å
506N29.7Very low39.8Very low132 Ų132140.4 Ų140.471%0.70675%0.745SS**  trans-74.4107.3-178.7-159.420.3000109R504 D508 S509R504-N506 PolarHBondContact O-N 2.93Å; N506-D508 PolarHBondContact O-N 2.89Å; N506-D508 VanDerWaalsContact O-N 3.13Å; N506-S509 VanDerWaalsContact O-CB 3.27Å; N506-S509 WeakPolarHBondContact O-CB 3.47Å; N506-S509 PolarHBondContact O-N 2.9Å
507E38.4Very low42.1Very low142 Ų142135.7 Ų135.766%0.66472%0.719SS**THydrogen-bonded Turntrans-69.2-10-167.2-72.1-155.1113.900115.3K426 K505 S509K426-E507 IonicContact NZ-OE1 2.68Å; K426-E507 PolarHBondContact NZ-OE1 3.03Å; K505-E507 PolarHBondContact O-N 3.28Å; E507-S509 VanDerWaalsContact C-N 3.27Å
508D38.8Very low44.7Very low97 Ų97137.3 Ų137.352%0.51971%0.712SS.*THydrogen-bonded Turntrans-81.5-1.1171.1-83.4-47.6000113.5K419 N506 D510K419-D508 WeakPolarHBondContact CE-OD1 3.43Å; K419-D508 IonicContact NZ-OD1 2.96Å; K419-D508 PolarHBondContact NZ-OD1 3.37Å; N506-D508 PolarHBondContact O-N 2.89Å; N506-D508 VanDerWaalsContact O-N 3.13Å; D508-D510 PolarHBondContact O-N 3.38Å; D508-D510 VanDerWaalsContact O-N 3.16Å
509S38.2Very low47.1Very low106 Ų106131 Ų13174%0.74167%0.673SS**  trans-79.119175.8-169.50000114.4N506 E507N506-S509 VanDerWaalsContact O-CB 3.27Å; N506-S509 WeakPolarHBondContact O-CB 3.47Å; N506-S509 PolarHBondContact O-N 2.9Å; E507-S509 VanDerWaalsContact C-N 3.27Å
510D44.3Very low49.9Very low103 Ų103128.8 Ų128.855%0.55165%0.653SS**  trans-122.129.3-170.7-158.679.6000112.3R422 D508R422-D510 IonicContact CZ-OD2 3.44Å; R422-D510 PolarHBondContact NH1-O 2.81Å; R422-D510 IonicContact NH1-OD2 3.37Å; R422-D510 PolarHBondContact NH1-OD2 3.08Å; R422-D510 IonicContact NH2-OD2 2.69Å; R422-D510 PolarHBondContact NH2-OD2 2.83Å; D508-D510 PolarHBondContact O-N 3.38Å; D508-D510 VanDerWaalsContact O-N 3.16Å
511S45.3Very low52.6Low84 Ų84118.9 Ų118.959%0.58762%0.618SS**SBendtrans-131.6122.3164.350.10000107.8
512E48.8Very low55.5Low180 Ų180118.9 Ų118.984%0.84160%0.597SS**PPolyproline II helixtrans-54.7141.3169.2-63.5177.6147.900109.4E514E512-E514 PolarHBondContact O-N 3.37Å
513P50.1Low58.3Low125 Ų125115.8 Ų115.881%0.81258%0.575SS**PPolyproline II helixtrans-62.1124.1176.326.5-33.1000109.1
514E58.3Low61.1Low125 Ų125111.8 Ų111.858%0.58456%0.563SS**PPolyproline II helixtrans-64.4137.1174.8-64.7-169.1133.400109.3K415 E512 E516K415-E514 WeakPolarHBondContact CE-OE1 3.4Å; K415-E514 WeakPolarHBondContact CE-OE2 3.24Å; K415-E514 IonicContact NZ-OE1 3.2Å; K415-E514 PolarHBondContact NZ-OE1 2.67Å; K415-E514 IonicContact NZ-OE2 2.71Å; K415-E514 PolarHBondContact NZ-OE2 3.45Å; E512-E514 PolarHBondContact O-N 3.37Å; E514-E516 PolarHBondContact O-N 2.8Å
515P62.4Low63.8Low98 Ų98102.5 Ų102.564%0.63654%0.541SS*.PPolyproline II helixtrans-62.3135.7179.325.5-33.8000110.5D517 L647P515-D517 PolarHBondContact O-N 3.05Å; P515-D517 VanDerWaalsContact O-N 3.15Å; P515-L647 HydrophobicContact CG-CD1 3.87Å
516E64.9Low66.8Low169 Ų16994.3 Ų94.379%0.7951%0.505SS*.  trans-65.8113.4-175.6-63.6-171143.300111.4E514 N518E514-E516 PolarHBondContact O-N 2.8Å; E516-N518 PolarHBondContact O-N 3.17Å; E516-N518 PolarHBondContact O-ND2 2.85Å
517D78.3Confident69.8Low55 Ų5589.8 Ų89.829%0.29448%0.479SS..  trans-70.596.2167.9174.218.3000109.2P515 V519 R520 W522P515-D517 PolarHBondContact O-N 3.05Å; P515-D517 VanDerWaalsContact O-N 3.15Å; D517-V519 PolarHBondContact O-N 3.34Å; D517-V519 WeakPolarHBondContact OD1-CA 3.45Å; D517-V519 WeakPolarHBondContact OD1-CB 3.4Å; D517-V519 PolarHBondContact OD1-N 3.34Å; D517-R520 WeakPolarHBondContact O-CG 3.49Å; D517-R520 PolarHBondContact OD1-N 2.85Å; D517-R520 PolarHBondContact OD2-N 3.28Å; D517-W522 HydrophobicContact CB-CH2 4.23Å; D517-W522 VanDerWaalsContact OD2-CZ3 3.27Å; D517-W522 WeakPolarHBondContact OD2-CZ3 3.24Å
518N81.9Confident72.3Confident102 Ų10287.6 Ų87.655%0.54547%0.469SS..SBendtrans-64.2-22.3176.9-74.2-63.4000113.8E516E516-N518 PolarHBondContact O-N 3.17Å; E516-N518 PolarHBondContact O-ND2 2.85Å
519V86.4Confident75Confident4 Ų485.5 Ų85.52%0.02445%0.453CS..SBendtrans-76.2-39.9-178.4179.80000111.1D517 L521 R529 Y530 T533D517-V519 PolarHBondContact O-N 3.34Å; D517-V519 WeakPolarHBondContact OD1-CA 3.45Å; D517-V519 WeakPolarHBondContact OD1-CB 3.4Å; D517-V519 PolarHBondContact OD1-N 3.34Å; V519-L521 HydrophobicContact CG1-CD2 3.62Å; V519-L521 HydrophobicContact CG1-CG 3.87Å; V519-R529 PolarHBondContact O-NE 3.3Å; V519-R529 PolarHBondContact O-NH2 3.19Å; V519-Y530 HydrophobicContact CG1-CD2 4.01Å; V519-Y530 HydrophobicContact CG1-CG 4.47Å; V519-Y530 HydrophobicContact CG2-CD2 4.49Å; V519-T533 HydrophobicContact CG2-CG2 4.26Å
520R88.6Confident77.6Confident104 Ų10480.8 Ų80.839%0.39242%0.419SS..  trans49.267-179.5-59.5179.4-87.9151.5-14.5111.8D517 W522 E523 R529D517-R520 WeakPolarHBondContact O-CG 3.49Å; D517-R520 PolarHBondContact OD1-N 2.85Å; D517-R520 PolarHBondContact OD2-N 3.28Å; R520-W522 HydrophobicContact CB-CH2 4.2Å; R520-W522 HydrophobicContact CB-CZ2 3.85Å; R520-W522 HydrophobicContact CG-CH2 4.07Å; R520-W522 HydrophobicContact CG-CZ2 3.73Å; R520-W522 PolarHBondContact O-N 3.14Å; R520-W522 VanDerWaalsContact O-N 3.08Å; R520-E523 HydrophobicContact CB-CB 4.29Å; R520-E523 WeakPolarHBondContact CD-OE2 3.28Å; R520-E523 IonicContact CZ-OE2 2.95Å; R520-E523 IonicContact NE-OE2 2.67Å; R520-E523 IonicContact NH1-OE2 2.82Å; R520-E523 PolarHBondContact NH1-OE2 3.39Å; R520-E523 PolarHBondContact O-N 2.99Å; R520-E523 VanDerWaalsContact O-N 3.1Å; R520-R529 PolarHBondContact O-NH2 3.1Å
521L90.3Very high80Confident28 Ų2875.9 Ų75.915%0.14739%0.393CS..THydrogen-bonded Turntrans-59.6-21.7-173.7-73.3172.8000114.2F404 V519 W526 F581F404-L521 HydrophobicContact CB-CB 3.94Å; F404-L521 WeakPolarHBondContact CB-O 3.3Å; F404-L521 HydrophobicContact CD1-CB 4.02Å; F404-L521 HydrophobicContact CD1-CD1 4.11Å; F404-L521 HydrophobicContact CD2-CB 4.2Å; F404-L521 WeakPolarHBondContact CD2-O 3.44Å; F404-L521 HydrophobicContact CE1-CD1 4.1Å; F404-L521 HydrophobicContact CE2-CD2 4.33Å; F404-L521 HydrophobicContact CG-CB 3.81Å; F404-L521 HydrophobicContact CZ-CD2 4.35Å; V519-L521 HydrophobicContact CG1-CD2 3.62Å; V519-L521 HydrophobicContact CG1-CG 3.87Å; L521-W526 HydrophobicContact CD2-CB 4.34Å; L521-W526 HydrophobicContact CD2-CE3 4.5Å; L521-W526 VanDerWaalsContact O-CD1 3.29Å; L521-F581 HydrophobicContact CD2-CE1 4.09Å; L521-F581 HydrophobicContact CD2-CZ 4.07Å
522W90.5Very high82.2Confident66 Ų6676.5 Ų76.525%0.2539%0.385CS..THydrogen-bonded Turntrans-84.1-6.5179.559.584.2000114.4K405 K408 D517 R520K405-W522 WeakPolarHBondContact CE-O 3.45Å; K405-W522 HydrophobicContact CG-CB 4.27Å; K405-W522 VanDerWaalsContact CG-O 3.32Å; K405-W522 WeakPolarHBondContact CG-O 3.26Å; K408-W522 HydrophobicContact CB-CB 3.81Å; K408-W522 HydrophobicContact CB-CD2 4.09Å; K408-W522 HydrophobicContact CB-CE3 4.16Å; K408-W522 HydrophobicContact CB-CG 3.92Å; K408-W522 HydrophobicContact CD-CD2 3.81Å; K408-W522 HydrophobicContact CD-CE3 3.84Å; K408-W522 HydrophobicContact CD-CG 4.33Å; K408-W522 HydrophobicContact CD-CH2 4.44Å; K408-W522 HydrophobicContact CD-CZ2 4.41Å; K408-W522 HydrophobicContact CD-CZ3 4.16Å; K408-W522 HydrophobicContact CG-CB 4.14Å; K408-W522 HydrophobicContact CG-CD2 3.74Å; K408-W522 HydrophobicContact CG-CE3 4.09Å; K408-W522 HydrophobicContact CG-CG 3.71Å; D517-W522 HydrophobicContact CB-CH2 4.23Å; D517-W522 VanDerWaalsContact OD2-CZ3 3.27Å; D517-W522 WeakPolarHBondContact OD2-CZ3 3.24Å; R520-W522 HydrophobicContact CB-CH2 4.2Å; R520-W522 HydrophobicContact CB-CZ2 3.85Å; R520-W522 HydrophobicContact CG-CH2 4.07Å; R520-W522 HydrophobicContact CG-CZ2 3.73Å; R520-W522 PolarHBondContact O-N 3.14Å; R520-W522 VanDerWaalsContact O-N 3.08Å
523E92.3Very high84.3Confident68 Ų6871.5 Ų71.532%0.31837%0.367SS..SBendtrans-108.8142.3-177.9-86.7161.7-129.400111.8R520 W526 R529R520-E523 HydrophobicContact CB-CB 4.29Å; R520-E523 WeakPolarHBondContact CD-OE2 3.28Å; R520-E523 IonicContact CZ-OE2 2.95Å; R520-E523 IonicContact NE-OE2 2.67Å; R520-E523 IonicContact NH1-OE2 2.82Å; R520-E523 PolarHBondContact NH1-OE2 3.39Å; R520-E523 PolarHBondContact O-N 2.99Å; R520-E523 VanDerWaalsContact O-N 3.1Å; E523-W526 WeakPolarHBondContact O-CB 3.44Å; E523-W526 VanDerWaalsContact O-CD1 3.24Å; E523-W526 PolarHBondContact O-N 2.9Å; E523-W526 VanDerWaalsContact O-N 3.12Å; E523-R529 PolarHBondContact O-NH2 2.82Å
524D90.8Very high86.2Confident122 Ų12266.8 Ų66.865%0.65233%0.334SS*.THydrogen-bonded Turntrans-53.9144.2-179.9-57.6-15.2000111.9K405 W526 R529K405-D524 IonicContact NZ-OD1 3.61Å; K405-D524 PolarHBondContact NZ-OD1 3.42Å; D524-W526 VanDerWaalsContact C-N 3.32Å; D524-R529 PolarHBondContact O-NH1 3.35Å
525G91.4Very high87.8Confident43 Ų4362.3 Ų62.344%0.44331%0.313SS..THydrogen-bonded Turntrans79.86.4-170.400000115.1K527 Q528 R529G525-K527 PolarHBondContact O-N 3.41Å; G525-K527 VanDerWaalsContact O-N 3.07Å; G525-Q528 PolarHBondContact O-N 3.01Å; G525-R529 PolarHBondContact O-N 3.17Å
526W92.8Very high89.2Confident28 Ų2863.3 Ų63.311%0.10631%0.312CS..Hα-helixtrans-47.7-37.2176.550.4-104000113.7E400 D401 F404 L521 E523 D524 Q528 R529 Y530 F581E400-W526 HydrophobicContact CB-CH2 4.28Å; E400-W526 HydrophobicContact CB-CZ2 4.5Å; D401-W526 HydrophobicContact CB-CZ2 4.42Å; D401-W526 PolarHBondContact OD1-NE1 3.44Å; F404-W526 HydrophobicContact CD2-CD2 4.14Å; F404-W526 HydrophobicContact CD2-CE3 4.41Å; F404-W526 HydrophobicContact CD2-CZ2 4.28Å; F404-W526 HydrophobicContact CE2-CD2 4.04Å; F404-W526 AromaticContact CE2-CE3 3.87Å; F404-W526 HydrophobicContact CE2-CE3 3.87Å; F404-W526 AromaticContact CE2-CH2 3.87Å; F404-W526 HydrophobicContact CE2-CH2 3.87Å; F404-W526 AromaticContact CE2-CZ2 3.99Å; F404-W526 HydrophobicContact CE2-CZ2 3.99Å; F404-W526 AromaticContact CE2-CZ3 3.81Å; F404-W526 HydrophobicContact CE2-CZ3 3.81Å; L521-W526 HydrophobicContact CD2-CB 4.34Å; L521-W526 HydrophobicContact CD2-CE3 4.5Å; L521-W526 VanDerWaalsContact O-CD1 3.29Å; E523-W526 WeakPolarHBondContact O-CB 3.44Å; E523-W526 VanDerWaalsContact O-CD1 3.24Å; E523-W526 PolarHBondContact O-N 2.9Å; E523-W526 VanDerWaalsContact O-N 3.12Å; D524-W526 VanDerWaalsContact C-N 3.32Å; W526-Q528 PolarHBondContact O-N 3.38Å; W526-R529 PolarHBondContact O-N 3.11Å; W526-Y530 WeakPolarHBondContact O-CB 3.05Å; W526-Y530 PolarHBondContact O-N 3.32Å; W526-F581 HydrophobicContact CE3-CD1 4.36Å; W526-F581 AromaticContact CE3-CE1 3.78Å; W526-F581 HydrophobicContact CE3-CE1 3.78Å; W526-F581 HydrophobicContact CE3-CE2 4.1Å; W526-F581 AromaticContact CE3-CZ 3.63Å; W526-F581 HydrophobicContact CE3-CZ 3.63Å; W526-F581 HydrophobicContact CH2-CD1 4.36Å; W526-F581 AromaticContact CZ3-CD1 3.6Å; W526-F581 HydrophobicContact CZ3-CD1 3.6Å; W526-F581 AromaticContact CZ3-CD2 3.98Å; W526-F581 HydrophobicContact CZ3-CD2 3.98Å; W526-F581 AromaticContact CZ3-CE1 3.49Å; W526-F581 HydrophobicContact CZ3-CE1 3.49Å; W526-F581 VanDerWaalsContact CZ3-CE1 3.49Å; W526-F581 AromaticContact CZ3-CE2 3.85Å; W526-F581 HydrophobicContact CZ3-CE2 3.85Å; W526-F581 AromaticContact CZ3-CG 3.83Å; W526-F581 HydrophobicContact CZ3-CG 3.83Å; W526-F581 AromaticContact CZ3-CZ 3.61Å; W526-F581 HydrophobicContact CZ3-CZ 3.61Å
527K92.9Very high90.4Very high37 Ų3756.6 Ų56.616%0.16128%0.283CS..Hα-helixtrans-65.3-37.7-178.5-163159.2-173.8169.10113.3G525 Y531 V539 F581 S583 D584G525-K527 PolarHBondContact O-N 3.41Å; G525-K527 VanDerWaalsContact O-N 3.07Å; K527-Y531 HydrophobicContact CG-CD2 4.22Å; K527-Y531 HydrophobicContact CG-CE2 4.25Å; K527-Y531 WeakPolarHBondContact O-CD2 3.42Å; K527-Y531 PolarHBondContact O-N 3.24Å; K527-V539 HydrophobicContact CG-CG2 4.27Å; K527-F581 HydrophobicContact CB-CE2 4.49Å; K527-F581 HydrophobicContact CD-CD2 4.21Å; K527-F581 HydrophobicContact CG-CD2 3.94Å; K527-F581 HydrophobicContact CG-CE2 3.91Å; K527-S583 PolarHBondContact NZ-OG 3.5Å; K527-D584 VanDerWaalsContact CE-CG 3.43Å; K527-D584 WeakPolarHBondContact CE-OD1 3.4Å; K527-D584 WeakPolarHBondContact CE-OD2 3.36Å; K527-D584 IonicContact NZ-OD1 3.48Å; K527-D584 PolarHBondContact NZ-OD1 3.08Å; K527-D584 IonicContact NZ-OD2 4Å; K527-D584 PolarHBondContact NZ-OD2 2.96Å
528Q92.1Very high90.7Very high96 Ų9656.7 Ų56.745%0.44928%0.283SS..Hα-helixtrans-72.2-43.6176.4-171178.418.900111.3G525 W526 Y530 Y531 K532 D538 V539G525-Q528 PolarHBondContact O-N 3.01Å; W526-Q528 PolarHBondContact O-N 3.38Å; Q528-Y530 VanDerWaalsContact C-N 3.31Å; Q528-Y530 PolarHBondContact O-N 3.18Å; Q528-Y531 PolarHBondContact O-N 3.32Å; Q528-K532 WeakPolarHBondContact O-CB 3.44Å; Q528-K532 PolarHBondContact O-N 2.72Å; Q528-D538 PolarHBondContact NE2-OD2 2.88Å; Q528-V539 HydrophobicContact CB-CB 4.1Å; Q528-V539 HydrophobicContact CB-CG1 3.92Å; Q528-V539 HydrophobicContact CG-CB 4.08Å; Q528-V539 HydrophobicContact CG-CG1 3.76Å
529R93.7Very high90.7Very high52 Ų5253.7 Ų53.720%0.19627%0.269CS..Hα-helixtrans-60.6-41.3174.8-64.2-170.8-62.7-84.5-1.6111.4V519 R520 E523 D524 G525 W526 T533V519-R529 PolarHBondContact O-NE 3.3Å; V519-R529 PolarHBondContact O-NH2 3.19Å; R520-R529 PolarHBondContact O-NH2 3.1Å; E523-R529 PolarHBondContact O-NH2 2.82Å; D524-R529 PolarHBondContact O-NH1 3.35Å; G525-R529 PolarHBondContact O-N 3.17Å; W526-R529 PolarHBondContact O-N 3.11Å; R529-T533 WeakPolarHBondContact O-CB 3.49Å; R529-T533 PolarHBondContact O-N 2.81Å; R529-T533 PolarHBondContact O-OG1 3.48Å; R529-T533 VanDerWaalsContact O-OG1 3.05Å
530Y93.9Very high90.5Very high7 Ų758.1 Ų58.13%0.02730%0.3CS..Hα-helixtrans-60.8-54.7176.8-175-101000112.5P351 V519 W526 Q528 K532 T533 K534 F535 A579 F581P351-Y530 HydrophobicContact CG-CE1 4.42Å; P351-Y530 HydrophobicContact CG-CE2 4.2Å; V519-Y530 HydrophobicContact CG1-CD2 4.01Å; V519-Y530 HydrophobicContact CG1-CG 4.47Å; V519-Y530 HydrophobicContact CG2-CD2 4.49Å; W526-Y530 WeakPolarHBondContact O-CB 3.05Å; W526-Y530 PolarHBondContact O-N 3.32Å; Q528-Y530 VanDerWaalsContact C-N 3.31Å; Q528-Y530 PolarHBondContact O-N 3.18Å; Y530-K532 VanDerWaalsContact C-N 3.33Å; Y530-K532 PolarHBondContact O-N 3.47Å; Y530-T533 PolarHBondContact O-N 3.12Å; Y530-K534 HydrophobicContact CD2-CG 3.83Å; Y530-K534 HydrophobicContact CE2-CG 3.82Å; Y530-K534 HydrophobicContact CG-CG 4.36Å; Y530-K534 VanDerWaalsContact O-CB 3.26Å; Y530-K534 WeakPolarHBondContact O-CB 3.12Å; Y530-K534 WeakPolarHBondContact O-CG 3.49Å; Y530-K534 PolarHBondContact O-N 3.41Å; Y530-F535 HydrophobicContact CD1-CE2 4.34Å; Y530-F535 AromaticContact CE1-CE2 3.8Å; Y530-F535 HydrophobicContact CE1-CE2 3.8Å; Y530-A579 WeakPolarHBondContact CE1-O 3.4Å; Y530-A579 PolarHBondContact OH-O 2.6Å; Y530-A579 VanDerWaalsContact OH-O 3.1Å; Y530-F581 HydrophobicContact CD1-CD2 4.13Å; Y530-F581 AromaticContact CD1-CE2 3.2Å; Y530-F581 HydrophobicContact CD1-CE2 3.2Å; Y530-F581 AromaticContact CD1-CZ 3.51Å; Y530-F581 HydrophobicContact CD1-CZ 3.51Å; Y530-F581 HydrophobicContact CD2-CE2 4.46Å; Y530-F581 AromaticContact CD2-CZ 3.93Å; Y530-F581 HydrophobicContact CD2-CZ 3.93Å; Y530-F581 HydrophobicContact CE1-CD2 4.46Å; Y530-F581 AromaticContact CE1-CE2 3.84Å; Y530-F581 HydrophobicContact CE1-CE2 3.84Å; Y530-F581 HydrophobicContact CE1-CZ 4.04Å; Y530-F581 HydrophobicContact CE2-CZ 4.43Å; Y530-F581 AromaticContact CG-CE2 3.55Å; Y530-F581 HydrophobicContact CG-CE2 3.55Å; Y530-F581 AromaticContact CG-CZ 3.41Å; Y530-F581 HydrophobicContact CG-CZ 3.41Å; Y530-F581 VanDerWaalsContact CG-CZ 3.41Å
531Y94.1Very high90.6Very high0 Ų056.7 Ų56.70%030%0.3CS..Hα-helixtrans-62.8-40.4-179.2-83.3-69.7000112.1K527 Q528 F535 D536 V537 R545 F581 D584K527-Y531 HydrophobicContact CG-CD2 4.22Å; K527-Y531 HydrophobicContact CG-CE2 4.25Å; K527-Y531 WeakPolarHBondContact O-CD2 3.42Å; K527-Y531 PolarHBondContact O-N 3.24Å; Q528-Y531 PolarHBondContact O-N 3.32Å; Y531-F535 AromaticContact CD1-CD2 3.55Å; Y531-F535 HydrophobicContact CD1-CD2 3.55Å; Y531-F535 AromaticContact CD1-CE2 3.85Å; Y531-F535 HydrophobicContact CD1-CE2 3.85Å; Y531-F535 HydrophobicContact CD1-CG 4.21Å; Y531-F535 AromaticContact CE1-CD2 3.93Å; Y531-F535 HydrophobicContact CE1-CD2 3.93Å; Y531-F535 AromaticContact CE1-CE2 3.76Å; Y531-F535 HydrophobicContact CE1-CE2 3.76Å; Y531-F535 HydrophobicContact CE1-CZ 4.31Å; Y531-F535 CarbonylContact O-C 3.6Å; Y531-F535 WeakPolarHBondContact O-CA 3.37Å; Y531-F535 WeakPolarHBondContact O-CB 3.37Å; Y531-F535 PolarHBondContact O-N 3.21Å; Y531-D536 PolarHBondContact O-N 2.93Å; Y531-V537 CarbonylContact C-O 3.56Å; Y531-V537 PolarHBondContact O-N 3.21Å; Y531-R545 HydrophobicContact CD1-CG 4.23Å; Y531-R545 HydrophobicContact CD2-CG 4.3Å; Y531-R545 HydrophobicContact CE1-CG 3.87Å; Y531-R545 HydrophobicContact CE2-CG 3.92Å; Y531-R545 HydrophobicContact CG-CG 4.45Å; Y531-F581 AromaticContact CE2-CD2 3.96Å; Y531-F581 HydrophobicContact CE2-CD2 3.96Å; Y531-F581 HydrophobicContact CE2-CE2 4.2Å; Y531-D584 PolarHBondContact OH-OD2 3.27Å; Y531-D584 VanDerWaalsContact OH-OD2 3.1Å
532K92.7Very high90.5Very high98 Ų9858.2 Ų58.243%0.42631%0.309SS..Hα-helixtrans-73-32.2179-168.948.8171.4159.20113.7Q528 Y530 D536 V537Q528-K532 WeakPolarHBondContact O-CB 3.44Å; Q528-K532 PolarHBondContact O-N 2.72Å; Y530-K532 VanDerWaalsContact C-N 3.33Å; Y530-K532 PolarHBondContact O-N 3.47Å; K532-D536 WeakPolarHBondContact CD-O 3.43Å; K532-D536 VanDerWaalsContact NZ-CG 3.31Å; K532-D536 PolarHBondContact NZ-O 2.89Å; K532-D536 IonicContact NZ-OD1 2.67Å; K532-D536 PolarHBondContact NZ-OD1 3.04Å; K532-D536 IonicContact NZ-OD2 3.15Å; K532-D536 WeakPolarHBondContact O-CA 3.33Å; K532-D536 PolarHBondContact O-N 3.08Å; K532-V537 WeakPolarHBondContact CA-O 3.47Å; K532-V537 PolarHBondContact N-O 3Å
533T91.2Very high90.6Very high74 Ų7457.5 Ų57.545%0.45432%0.321SS..Hα-helixtrans-85-28.8177.5-610000113.5V519 R529 Y530V519-T533 HydrophobicContact CG2-CG2 4.26Å; R529-T533 WeakPolarHBondContact O-CB 3.49Å; R529-T533 PolarHBondContact O-N 2.81Å; R529-T533 PolarHBondContact O-OG1 3.48Å; R529-T533 VanDerWaalsContact O-OG1 3.05Å; Y530-T533 PolarHBondContact O-N 3.12Å
534K91.5Very high90.6Very high27 Ų2756.2 Ų56.212%0.11732%0.315CS..Hα-helixtrans-104.3-20.5-173.7-56.7-58.2-177.7179.80114.6Y530 Y578 D646 N648Y530-K534 HydrophobicContact CD2-CG 3.83Å; Y530-K534 HydrophobicContact CE2-CG 3.82Å; Y530-K534 HydrophobicContact CG-CG 4.36Å; Y530-K534 VanDerWaalsContact O-CB 3.26Å; Y530-K534 WeakPolarHBondContact O-CB 3.12Å; Y530-K534 WeakPolarHBondContact O-CG 3.49Å; Y530-K534 PolarHBondContact O-N 3.41Å; K534-Y578 HydrophobicContact CB-CD2 3.77Å; K534-Y578 HydrophobicContact CB-CE2 3.9Å; K534-Y578 HydrophobicContact CB-CG 4.08Å; K534-Y578 HydrophobicContact CD-CD1 4.4Å; K534-Y578 HydrophobicContact CD-CE1 3.9Å; K534-Y578 HydrophobicContact CD-CE2 4.24Å; K534-Y578 VanDerWaalsContact O-CD2 3.24Å; K534-Y578 WeakPolarHBondContact O-CD2 3.45Å; K534-Y578 WeakPolarHBondContact O-CE2 3.41Å; K534-D646 IonicContact NZ-OD1 3.9Å; K534-D646 PolarHBondContact NZ-OD1 2.7Å; K534-D646 IonicContact NZ-OD2 3.91Å; K534-D646 PolarHBondContact NZ-OD2 3.18Å; K534-N648 WeakPolarHBondContact CE-OD1 3.36Å; K534-N648 PolarHBondContact NZ-OD1 3.47Å
535F91.9Very high90.7Very high31 Ų3152 Ų5214%0.13629%0.29CS..SBendtrans-128.7-2.1178.7-59.2-97.2000113.7Y530 Y531 V537 F544 V548 F576Y530-F535 HydrophobicContact CD1-CE2 4.34Å; Y530-F535 AromaticContact CE1-CE2 3.8Å; Y530-F535 HydrophobicContact CE1-CE2 3.8Å; Y531-F535 AromaticContact CD1-CD2 3.55Å; Y531-F535 HydrophobicContact CD1-CD2 3.55Å; Y531-F535 AromaticContact CD1-CE2 3.85Å; Y531-F535 HydrophobicContact CD1-CE2 3.85Å; Y531-F535 HydrophobicContact CD1-CG 4.21Å; Y531-F535 AromaticContact CE1-CD2 3.93Å; Y531-F535 HydrophobicContact CE1-CD2 3.93Å; Y531-F535 AromaticContact CE1-CE2 3.76Å; Y531-F535 HydrophobicContact CE1-CE2 3.76Å; Y531-F535 HydrophobicContact CE1-CZ 4.31Å; Y531-F535 CarbonylContact O-C 3.6Å; Y531-F535 WeakPolarHBondContact O-CA 3.37Å; Y531-F535 WeakPolarHBondContact O-CB 3.37Å; Y531-F535 PolarHBondContact O-N 3.21Å; F535-V537 PolarHBondContact O-N 2.78Å; F535-V537 VanDerWaalsContact O-N 3.15Å; F535-F544 HydrophobicContact CB-CE1 3.7Å; F535-F544 HydrophobicContact CB-CZ 3.94Å; F535-F544 AromaticContact CD1-CE1 3.58Å; F535-F544 HydrophobicContact CD1-CE1 3.58Å; F535-F544 AromaticContact CD1-CZ 3.7Å; F535-F544 HydrophobicContact CD1-CZ 3.7Å; F535-F544 HydrophobicContact CE1-CE1 4.33Å; F535-F544 AromaticContact CG-CE1 3.8Å; F535-F544 HydrophobicContact CG-CE1 3.8Å; F535-F544 HydrophobicContact CG-CZ 4.18Å; F535-V548 HydrophobicContact CD1-CG2 4.36Å; F535-V548 HydrophobicContact CE1-CG1 4.2Å; F535-V548 HydrophobicContact CE1-CG2 3.91Å; F535-V548 HydrophobicContact CZ-CG1 4.19Å; F535-V548 HydrophobicContact CZ-CG2 4.48Å; F535-F576 HydrophobicContact CD1-CD1 4.17Å; F535-F576 HydrophobicContact CE1-CB 4.05Å; F535-F576 HydrophobicContact CE1-CD1 4.02Å; F535-F576 HydrophobicContact CE1-CG 4.2Å
536D90.5Very high90.8Very high118 Ų11853.6 Ų53.663%0.63128%0.284SS*.SBendtrans59.49.9-171.3-158.140.9000116.2Y531 K532Y531-D536 PolarHBondContact O-N 2.93Å; K532-D536 WeakPolarHBondContact CD-O 3.43Å; K532-D536 VanDerWaalsContact NZ-CG 3.31Å; K532-D536 PolarHBondContact NZ-O 2.89Å; K532-D536 IonicContact NZ-OD1 2.67Å; K532-D536 PolarHBondContact NZ-OD1 3.04Å; K532-D536 IonicContact NZ-OD2 3.15Å; K532-D536 WeakPolarHBondContact O-CA 3.33Å; K532-D536 PolarHBondContact O-N 3.08Å
537V89.9Confident90.9Very high28 Ų2857.9 Ų57.917%0.1730%0.304CS..  trans-102.9142.7-176.31740000111.1Y531 K532 F535 D541 F544Y531-V537 CarbonylContact C-O 3.56Å; Y531-V537 PolarHBondContact O-N 3.21Å; K532-V537 WeakPolarHBondContact CA-O 3.47Å; K532-V537 PolarHBondContact N-O 3Å; F535-V537 PolarHBondContact O-N 2.78Å; F535-V537 VanDerWaalsContact O-N 3.15Å; V537-D541 HydrophobicContact CG1-CB 3.58Å; V537-F544 HydrophobicContact CB-CD1 4.1Å; V537-F544 HydrophobicContact CB-CE1 4.36Å; V537-F544 HydrophobicContact CB-CG 4.35Å; V537-F544 HydrophobicContact CG1-CB 3.99Å; V537-F544 HydrophobicContact CG1-CD1 3.98Å; V537-F544 HydrophobicContact CG1-CG 3.97Å; V537-F544 HydrophobicContact CG2-CD1 4.08Å; V537-F544 HydrophobicContact CG2-CD2 3.99Å; V537-F544 HydrophobicContact CG2-CE1 4.16Å; V537-F544 HydrophobicContact CG2-CE2 4.06Å; V537-F544 HydrophobicContact CG2-CG 4Å; V537-F544 HydrophobicContact CG2-CZ 4.15Å
538D85.5Confident91Very high57 Ų5756.1 Ų56.131%0.30530%0.296SS..  trans-76.7148.8173.5-176.2-98.2000112.1Q528 S540 D541Q528-D538 PolarHBondContact NE2-OD2 2.88Å; D538-S540 PolarHBondContact O-N 2.89Å; D538-S540 VanDerWaalsContact O-N 3.1Å; D538-S540 VanDerWaalsContact OD1-CB 3.27Å; D538-S540 WeakPolarHBondContact OD1-CB 3.42Å; D538-S540 PolarHBondContact OD1-N 3.09Å; D538-S540 PolarHBondContact OD1-OG 3.18Å; D538-D541 PolarHBondContact O-N 2.87Å
539V80.8Confident91.2Very high40 Ų4051.6 Ų51.624%0.24228%0.275CS..THydrogen-bonded Turntrans-61.6-21.2-176.374.70000114.3K527 Q528 D541 R545K527-V539 HydrophobicContact CG-CG2 4.27Å; Q528-V539 HydrophobicContact CB-CB 4.1Å; Q528-V539 HydrophobicContact CB-CG1 3.92Å; Q528-V539 HydrophobicContact CG-CB 4.08Å; Q528-V539 HydrophobicContact CG-CG1 3.76Å; V539-D541 VanDerWaalsContact C-N 3.26Å; V539-D541 PolarHBondContact O-N 2.92Å; V539-R545 PolarHBondContact O-NH1 2.84Å
540S84.2Confident91.3Very high97 Ų9755 Ų5568%0.67829%0.288SS*.THydrogen-bonded Turntrans-69.1-17.2174.259.10000114.1D538 D542D538-S540 PolarHBondContact O-N 2.89Å; D538-S540 VanDerWaalsContact O-N 3.1Å; D538-S540 VanDerWaalsContact OD1-CB 3.27Å; D538-S540 WeakPolarHBondContact OD1-CB 3.42Å; D538-S540 PolarHBondContact OD1-N 3.09Å; D538-S540 PolarHBondContact OD1-OG 3.18Å; S540-D542 VanDerWaalsContact C-N 3.26Å; S540-D542 PolarHBondContact O-N 2.78Å
541D90.4Very high91.4Very high73 Ų7355.2 Ų55.239%0.3929%0.29SS..  trans-77.279.1170.7-167.1-12000111.1V537 D538 V539 G543 F544 R545V537-D541 HydrophobicContact CG1-CB 3.58Å; D538-D541 PolarHBondContact O-N 2.87Å; V539-D541 VanDerWaalsContact C-N 3.26Å; V539-D541 PolarHBondContact O-N 2.92Å; D541-G543 PolarHBondContact O-N 2.78Å; D541-G543 WeakPolarHBondContact OD1-CA 3.19Å; D541-G543 PolarHBondContact OD1-N 2.78Å; D541-F544 HydrophobicContact CB-CB 4.12Å; D541-F544 VanDerWaalsContact CG-CB 3.44Å; D541-F544 PolarHBondContact O-N 2.76Å; D541-F544 PolarHBondContact OD1-N 2.84Å; D541-F544 WeakPolarHBondContact OD2-CB 3.29Å; D541-R545 PolarHBondContact O-N 2.82Å; D541-R545 VanDerWaalsContact O-N 3.09Å
542D87.9Confident91.5Very high61 Ų6155.2 Ų55.233%0.32629%0.29SS..Hα-helixtrans-62.8-24.4172.3-163.265.7000112.4S540 R545 K546S540-D542 VanDerWaalsContact C-N 3.26Å; S540-D542 PolarHBondContact O-N 2.78Å; D542-R545 IonicContact OD1-CZ 2.77Å; D542-R545 IonicContact OD1-NH1 2.76Å; D542-R545 PolarHBondContact OD1-NH1 2.78Å; D542-R545 IonicContact OD1-NH2 3.41Å; D542-R545 PolarHBondContact OD1-NH2 3.41Å; D542-K546 VanDerWaalsContact O-CB 3.27Å; D542-K546 WeakPolarHBondContact O-CB 3.43Å; D542-K546 VanDerWaalsContact O-CG 3.31Å; D542-K546 WeakPolarHBondContact O-CG 3.47Å; D542-K546 PolarHBondContact O-N 2.71Å; D542-K546 WeakPolarHBondContact OD2-CD 3.44Å; D542-K546 WeakPolarHBondContact OD2-CE 3.34Å; D542-K546 IonicContact OD2-NZ 2.68Å; D542-K546 PolarHBondContact OD2-NZ 2.78Å
543G91.7Very high91.6Very high50 Ų5050.6 Ų50.652%0.51527%0.271SS..Hα-helixtrans-68.9-47.5176.100000112.1D541 K546 K547D541-G543 PolarHBondContact O-N 2.78Å; D541-G543 WeakPolarHBondContact OD1-CA 3.19Å; D541-G543 PolarHBondContact OD1-N 2.78Å; G543-K546 PolarHBondContact O-N 2.99Å; G543-K547 PolarHBondContact O-N 2.82Å
544F92.9Very high91.9Very high41 Ų4149.2 Ų49.218%0.1826%0.259CS..Hα-helixtrans-64.1-44.9173.2-175-88.7000111.6F535 V537 D541 K546 K547 V548 F576F535-F544 HydrophobicContact CB-CE1 3.7Å; F535-F544 HydrophobicContact CB-CZ 3.94Å; F535-F544 AromaticContact CD1-CE1 3.58Å; F535-F544 HydrophobicContact CD1-CE1 3.58Å; F535-F544 AromaticContact CD1-CZ 3.7Å; F535-F544 HydrophobicContact CD1-CZ 3.7Å; F535-F544 HydrophobicContact CE1-CE1 4.33Å; F535-F544 AromaticContact CG-CE1 3.8Å; F535-F544 HydrophobicContact CG-CE1 3.8Å; F535-F544 HydrophobicContact CG-CZ 4.18Å; V537-F544 HydrophobicContact CB-CD1 4.1Å; V537-F544 HydrophobicContact CB-CE1 4.36Å; V537-F544 HydrophobicContact CB-CG 4.35Å; V537-F544 HydrophobicContact CG1-CB 3.99Å; V537-F544 HydrophobicContact CG1-CD1 3.98Å; V537-F544 HydrophobicContact CG1-CG 3.97Å; V537-F544 HydrophobicContact CG2-CD1 4.08Å; V537-F544 HydrophobicContact CG2-CD2 3.99Å; V537-F544 HydrophobicContact CG2-CE1 4.16Å; V537-F544 HydrophobicContact CG2-CE2 4.06Å; V537-F544 HydrophobicContact CG2-CG 4Å; V537-F544 HydrophobicContact CG2-CZ 4.15Å; D541-F544 HydrophobicContact CB-CB 4.12Å; D541-F544 VanDerWaalsContact CG-CB 3.44Å; D541-F544 PolarHBondContact O-N 2.76Å; D541-F544 PolarHBondContact OD1-N 2.84Å; D541-F544 WeakPolarHBondContact OD2-CB 3.29Å; F544-K546 VanDerWaalsContact C-N 3.34Å; F544-K546 PolarHBondContact O-N 3.2Å; F544-K547 WeakPolarHBondContact O-CA 3.48Å; F544-K547 WeakPolarHBondContact O-CB 3.47Å; F544-K547 PolarHBondContact O-N 3.39Å; F544-V548 HydrophobicContact CD1-CG2 3.97Å; F544-V548 HydrophobicContact CE1-CG2 3.53Å; F544-V548 HydrophobicContact CZ-CG2 4.03Å; F544-V548 PolarHBondContact O-N 3.42Å; F544-F576 HydrophobicContact CE2-CE1 4.06Å; F544-F576 HydrophobicContact CZ-CD1 4.32Å; F544-F576 AromaticContact CZ-CE1 3.77Å; F544-F576 HydrophobicContact CZ-CE1 3.77Å
545R92.6Very high92.1Very high34 Ų3447.9 Ų47.913%0.12825%0.253CS..Hα-helixtrans-58.3-44.4175.8-78.2171.145.7-104.3-18.9111.6Y531 V539 D541 D542 K547 V548 V549 D584Y531-R545 HydrophobicContact CD1-CG 4.23Å; Y531-R545 HydrophobicContact CD2-CG 4.3Å; Y531-R545 HydrophobicContact CE1-CG 3.87Å; Y531-R545 HydrophobicContact CE2-CG 3.92Å; Y531-R545 HydrophobicContact CG-CG 4.45Å; V539-R545 PolarHBondContact O-NH1 2.84Å; D541-R545 PolarHBondContact O-N 2.82Å; D541-R545 VanDerWaalsContact O-N 3.09Å; D542-R545 IonicContact OD1-CZ 2.77Å; D542-R545 IonicContact OD1-NH1 2.76Å; D542-R545 PolarHBondContact OD1-NH1 2.78Å; D542-R545 IonicContact OD1-NH2 3.41Å; D542-R545 PolarHBondContact OD1-NH2 3.41Å; R545-K547 VanDerWaalsContact C-N 3.35Å; R545-K547 PolarHBondContact O-N 2.98Å; R545-V548 PolarHBondContact O-N 3.11Å; R545-V549 WeakPolarHBondContact O-CG2 3.32Å; R545-V549 PolarHBondContact O-N 3.07Å; R545-D584 IonicContact CZ-OD1 3.53Å; R545-D584 VanDerWaalsContact CZ-OD1 3.27Å; R545-D584 IonicContact NE-OD1 2.88Å; R545-D584 PolarHBondContact NE-OD1 2.81Å; R545-D584 IonicContact NH2-OD1 3.46Å; R545-D584 PolarHBondContact NH2-OD1 2.71Å
546K93.3Very high92.2Very high77 Ų7746.6 Ų46.634%0.33525%0.248SC..Hα-helixtrans-64.8-32.3172.9-79.4169170.9158.70113.6D542 G543 F544 R550 M591D542-K546 VanDerWaalsContact O-CB 3.27Å; D542-K546 WeakPolarHBondContact O-CB 3.43Å; D542-K546 VanDerWaalsContact O-CG 3.31Å; D542-K546 WeakPolarHBondContact O-CG 3.47Å; D542-K546 PolarHBondContact O-N 2.71Å; D542-K546 WeakPolarHBondContact OD2-CD 3.44Å; D542-K546 WeakPolarHBondContact OD2-CE 3.34Å; D542-K546 IonicContact OD2-NZ 2.68Å; D542-K546 PolarHBondContact OD2-NZ 2.78Å; G543-K546 PolarHBondContact O-N 2.99Å; F544-K546 VanDerWaalsContact C-N 3.34Å; F544-K546 PolarHBondContact O-N 3.2Å; K546-R550 VanDerWaalsContact O-CB 3.31Å; K546-R550 WeakPolarHBondContact O-CB 3.37Å; K546-R550 PolarHBondContact O-N 3Å; K546-M591 HydrophobicContact CG-CE 4.35Å
547K94.7Very high92.5Very high118 Ų11841.2 Ų41.251%0.51322%0.219SC..Hα-helixtrans-64.6-46.8172.6-173.2-173.4176-173.70111.6G543 F544 R545 R550 S551 F576G543-K547 PolarHBondContact O-N 2.82Å; F544-K547 WeakPolarHBondContact O-CA 3.48Å; F544-K547 WeakPolarHBondContact O-CB 3.47Å; F544-K547 PolarHBondContact O-N 3.39Å; R545-K547 VanDerWaalsContact C-N 3.35Å; R545-K547 PolarHBondContact O-N 2.98Å; K547-R550 PolarHBondContact O-N 2.94Å; K547-S551 PolarHBondContact O-N 2.88Å; K547-S551 VanDerWaalsContact O-N 3.1Å; K547-S551 PolarHBondContact O-OG 2.72Å; K547-F576 HydrophobicContact CD-CZ 4.28Å; K547-F576 HydrophobicContact CG-CZ 4.25Å
548V95.4Very high92.8Very high0 Ų039.9 Ų39.90%021%0.211CC..Hα-helixtrans-62.5-46177179.70000110.9F535 F544 R545 S551 Y552 F574 F576 P580F535-V548 HydrophobicContact CD1-CG2 4.36Å; F535-V548 HydrophobicContact CE1-CG1 4.2Å; F535-V548 HydrophobicContact CE1-CG2 3.91Å; F535-V548 HydrophobicContact CZ-CG1 4.19Å; F535-V548 HydrophobicContact CZ-CG2 4.48Å; F544-V548 HydrophobicContact CD1-CG2 3.97Å; F544-V548 HydrophobicContact CE1-CG2 3.53Å; F544-V548 HydrophobicContact CZ-CG2 4.03Å; F544-V548 PolarHBondContact O-N 3.42Å; R545-V548 PolarHBondContact O-N 3.11Å; V548-S551 PolarHBondContact O-N 2.74Å; V548-Y552 WeakPolarHBondContact O-CB 3.4Å; V548-Y552 PolarHBondContact O-N 3.09Å; V548-F574 HydrophobicContact CG1-CZ 4.28Å; V548-F576 HydrophobicContact CB-CE2 4.28Å; V548-F576 HydrophobicContact CB-CZ 4.47Å; V548-F576 HydrophobicContact CG1-CD2 4.35Å; V548-F576 HydrophobicContact CG2-CD1 4.17Å; V548-F576 HydrophobicContact CG2-CD2 4.26Å; V548-F576 HydrophobicContact CG2-CE1 3.82Å; V548-F576 HydrophobicContact CG2-CE2 3.94Å; V548-F576 HydrophobicContact CG2-CG 4.37Å; V548-F576 HydrophobicContact CG2-CZ 3.69Å; V548-P580 HydrophobicContact CG1-CB 4.01Å; V548-P580 HydrophobicContact CG1-CG 4.15Å
549V95.7Very high93.3Very high0 Ų037.2 Ų37.20%020%0.197CC..Hα-helixtrans-61-45.6176.8171.80000111.5R545 S551 Y552 V553 P580 D584 F585 I588 M591R545-V549 WeakPolarHBondContact O-CG2 3.32Å; R545-V549 PolarHBondContact O-N 3.07Å; V549-S551 PolarHBondContact O-N 2.93Å; V549-Y552 PolarHBondContact O-N 3.38Å; V549-Y552 VanDerWaalsContact O-N 3.15Å; V549-V553 HydrophobicContact CG1-CG2 4.21Å; V549-V553 WeakPolarHBondContact O-CB 3.38Å; V549-V553 WeakPolarHBondContact O-CG2 3.32Å; V549-V553 PolarHBondContact O-N 2.83Å; V549-P580 HydrophobicContact CG2-CB 3.82Å; V549-P580 HydrophobicContact CG2-CG 4.08Å; V549-D584 HydrophobicContact CG2-CB 3.63Å; V549-F585 HydrophobicContact CG1-CD1 3.96Å; V549-F585 HydrophobicContact CG1-CE1 4.35Å; V549-F585 HydrophobicContact CG1-CG 4.19Å; V549-I588 HydrophobicContact CG1-CG2 3.85Å; V549-M591 HydrophobicContact CG1-CE 4.36Å; V549-M591 HydrophobicContact CG1-SD 3.92Å
550R95.9Very high94.1Very high123 Ų12335.3 Ų35.346%0.46419%0.185SC..Hα-helixtrans-55.1-53.5176.1177.8-178.8-61.3155.83.3111.4K546 K547 Y552 V553 E554 M591K546-R550 VanDerWaalsContact O-CB 3.31Å; K546-R550 WeakPolarHBondContact O-CB 3.37Å; K546-R550 PolarHBondContact O-N 3Å; K547-R550 PolarHBondContact O-N 2.94Å; R550-Y552 PolarHBondContact O-N 3.45Å; R550-V553 PolarHBondContact O-N 3.39Å; R550-V553 VanDerWaalsContact O-N 3.13Å; R550-E554 HydrophobicContact CG-CG 4.47Å; R550-E554 WeakPolarHBondContact CG-OE1 3.49Å; R550-E554 WeakPolarHBondContact O-CG 3.36Å; R550-E554 PolarHBondContact O-N 2.83Å; R550-M591 HydrophobicContact CB-CB 4.42Å; R550-M591 HydrophobicContact CB-SD 4.15Å; R550-M591 HydrophobicContact CG-CB 4.23Å; R550-M591 WeakPolarHBondContact CG-O 3.45Å
551S95.8Very high94.6Very high12 Ų1232.8 Ų32.88%0.08416%0.161CC..Hα-helixtrans-63.4-29.6179.6-60.90000112.9K547 V548 V549 G555 W572K547-S551 PolarHBondContact O-N 2.88Å; K547-S551 VanDerWaalsContact O-N 3.1Å; K547-S551 PolarHBondContact O-OG 2.72Å; V548-S551 PolarHBondContact O-N 2.74Å; V549-S551 PolarHBondContact O-N 2.93Å; S551-G555 PolarHBondContact O-N 3.27Å; S551-G555 VanDerWaalsContact O-N 3.09Å; S551-W572 WeakPolarHBondContact O-CZ2 3.48Å
552Y96.2Very high94.9Very high0 Ų029.6 Ų29.60%014%0.143CC..Hα-helixtrans-72.5-39.5174.2-157.8-81.9000111.9L347 P348 L350 V548 V549 R550 G555 L556 F574 A579 P580 F585L347-Y552 HydrophobicContact CB-CE2 4.03Å; L347-Y552 HydrophobicContact CD1-CD1 4.23Å; L347-Y552 HydrophobicContact CD1-CE1 3.96Å; L347-Y552 HydrophobicContact CD1-CE2 4.3Å; L347-Y552 HydrophobicContact CD2-CD2 3.93Å; L347-Y552 HydrophobicContact CD2-CE2 4.05Å; L347-Y552 HydrophobicContact CD2-CG 4.35Å; L347-Y552 HydrophobicContact CG-CE2 4.37Å; P348-Y552 HydrophobicContact CG-CE2 4.43Å; P348-Y552 VanDerWaalsContact O-CE2 3.31Å; P348-Y552 WeakPolarHBondContact O-CE2 3.46Å; P348-Y552 PolarHBondContact O-OH 2.69Å; L350-Y552 HydrophobicContact CD2-CE1 3.77Å; L350-Y552 HydrophobicContact CD2-CE2 4.12Å; V548-Y552 WeakPolarHBondContact O-CB 3.4Å; V548-Y552 PolarHBondContact O-N 3.09Å; V549-Y552 PolarHBondContact O-N 3.38Å; V549-Y552 VanDerWaalsContact O-N 3.15Å; R550-Y552 PolarHBondContact O-N 3.45Å; Y552-G555 PolarHBondContact O-N 3.23Å; Y552-L556 HydrophobicContact CD1-CD1 3.76Å; Y552-L556 HydrophobicContact CD1-CG 3.99Å; Y552-L556 HydrophobicContact CE1-CD1 3.9Å; Y552-L556 HydrophobicContact CE1-CD2 4.15Å; Y552-L556 HydrophobicContact CE1-CG 3.98Å; Y552-L556 WeakPolarHBondContact O-CG 3.22Å; Y552-L556 PolarHBondContact O-N 3.44Å; Y552-F574 HydrophobicContact CD2-CE1 4.47Å; Y552-F574 AromaticContact CD2-CE2 3.85Å; Y552-F574 HydrophobicContact CD2-CE2 3.85Å; Y552-F574 AromaticContact CD2-CZ 3.83Å; Y552-F574 HydrophobicContact CD2-CZ 3.83Å; Y552-F574 HydrophobicContact CG-CE2 4.34Å; Y552-A579 HydrophobicContact CD2-CB 4.31Å; Y552-A579 HydrophobicContact CE2-CB 3.72Å; Y552-P580 HydrophobicContact CD2-CG 4.3Å; Y552-P580 HydrophobicContact CG-CG 4.17Å; Y552-F585 HydrophobicContact CD1-CE1 4.04Å; Y552-F585 AromaticContact CD1-CZ 3.62Å; Y552-F585 HydrophobicContact CD1-CZ 3.62Å; Y552-F585 HydrophobicContact CE1-CZ 4.17Å; Y552-F585 HydrophobicContact CG-CZ 4.2Å
553V96Very high95.3Very high2 Ų227 Ų271%0.01213%0.129CC..Hα-helixtrans-66.8-42175.9168.70000111.7L386 V549 R550 G555 L556 C557 F585 I588L386-V553 HydrophobicContact CD1-CG1 3.92Å; L386-V553 HydrophobicContact CD2-CG1 3.51Å; L386-V553 HydrophobicContact CG-CG1 4.36Å; V549-V553 HydrophobicContact CG1-CG2 4.21Å; V549-V553 WeakPolarHBondContact O-CB 3.38Å; V549-V553 WeakPolarHBondContact O-CG2 3.32Å; V549-V553 PolarHBondContact O-N 2.83Å; R550-V553 PolarHBondContact O-N 3.39Å; R550-V553 VanDerWaalsContact O-N 3.13Å; V553-G555 VanDerWaalsContact C-N 3.3Å; V553-G555 PolarHBondContact O-N 3.33Å; V553-L556 PolarHBondContact O-N 2.9Å; V553-C557 PolarHBondContact O-N 3.32Å; V553-C557 VanDerWaalsContact O-N 3.11Å; V553-C557 PolarHBondContact O-SG 3.06Å; V553-F585 HydrophobicContact CG2-CD1 3.8Å; V553-F585 HydrophobicContact CG2-CE1 3.72Å; V553-I588 HydrophobicContact CG2-CB 4.24Å; V553-I588 HydrophobicContact CG2-CD1 4.19Å; V553-I588 HydrophobicContact CG2-CG2 4.3Å
554E96.1Very high95.5Very high44 Ų4425 Ų2521%0.20611%0.106CC..Hα-helixtrans-53.6-48.9167.5-72.3168-162.200110.4R550 L556 C557 W558 W572 F592 F595R550-E554 HydrophobicContact CG-CG 4.47Å; R550-E554 WeakPolarHBondContact CG-OE1 3.49Å; R550-E554 WeakPolarHBondContact O-CG 3.36Å; R550-E554 PolarHBondContact O-N 2.83Å; E554-L556 PolarHBondContact O-N 2.87Å; E554-C557 CarbonylContact O-C 3.58Å; E554-C557 WeakPolarHBondContact O-CB 3.29Å; E554-C557 PolarHBondContact O-N 3.16Å; E554-C557 VanDerWaalsContact O-N 3.14Å; E554-W558 WeakPolarHBondContact O-CB 3.39Å; E554-W558 PolarHBondContact O-N 3.18Å; E554-W572 HydrophobicContact CB-CZ2 4.19Å; E554-W572 PolarHBondContact OE2-NE1 3.4Å; E554-F592 HydrophobicContact CG-CB 4.41Å; E554-F592 HydrophobicContact CG-CD2 3.89Å; E554-F592 HydrophobicContact CG-CG 4.44Å; E554-F595 WeakPolarHBondContact O-CZ 3.17Å
555G96Very high95.7Very high0 Ų024.5 Ų24.50%010%0.104CC..Hα-helixtrans-62.1-41.2179.600000114.2S551 Y552 V553 C557 W558 V559S551-G555 PolarHBondContact O-N 3.27Å; S551-G555 VanDerWaalsContact O-N 3.09Å; Y552-G555 PolarHBondContact O-N 3.23Å; V553-G555 VanDerWaalsContact C-N 3.3Å; V553-G555 PolarHBondContact O-N 3.33Å; G555-C557 VanDerWaalsContact C-N 3.27Å; G555-C557 PolarHBondContact O-N 3.09Å; G555-W558 WeakPolarHBondContact O-CB 3.27Å; G555-W558 PolarHBondContact O-N 3.11Å; G555-W558 VanDerWaalsContact O-N 3.11Å; G555-V559 WeakPolarHBondContact O-CG2 3.23Å; G555-V559 PolarHBondContact O-N 2.98Å
556L95.2Very high95.7Very high4 Ų423.2 Ų23.22%0.02110%0.101CC..Hα-helixtrans-61.5-38.1174.6-71.7167.5000111.6F337 F340 F341 L347 Y552 V553 E554 L560 F585F337-L556 HydrophobicContact CE2-CB 4.05Å; F337-L556 HydrophobicContact CE2-CD2 4.47Å; F337-L556 HydrophobicContact CZ-CB 4.18Å; F340-L556 HydrophobicContact CB-CD2 4.29Å; F341-L556 HydrophobicContact CD1-CD1 4.15Å; F341-L556 HydrophobicContact CD1-CD2 4.21Å; F341-L556 HydrophobicContact CE1-CD1 3.39Å; F341-L556 HydrophobicContact CE1-CD2 4.02Å; F341-L556 HydrophobicContact CE1-CG 4.37Å; F341-L556 HydrophobicContact CZ-CD1 3.87Å; F341-L556 HydrophobicContact CZ-CD2 4.25Å; L347-L556 HydrophobicContact CD1-CD2 3.99Å; L347-L556 HydrophobicContact CD1-CG 3.98Å; Y552-L556 HydrophobicContact CD1-CD1 3.76Å; Y552-L556 HydrophobicContact CD1-CG 3.99Å; Y552-L556 HydrophobicContact CE1-CD1 3.9Å; Y552-L556 HydrophobicContact CE1-CD2 4.15Å; Y552-L556 HydrophobicContact CE1-CG 3.98Å; Y552-L556 WeakPolarHBondContact O-CG 3.22Å; Y552-L556 PolarHBondContact O-N 3.44Å; V553-L556 PolarHBondContact O-N 2.9Å; E554-L556 PolarHBondContact O-N 2.87Å; L556-L560 WeakPolarHBondContact O-CB 3.31Å; L556-L560 PolarHBondContact O-N 3.02Å; L556-F585 HydrophobicContact CD1-CE1 4.37Å
557C96.3Very high95.8Very high5 Ų521.1 Ų21.13%0.03410%0.096CC..Hα-helixtrans-70.1-35.2173.3-61.80000112.3V553 E554 G555 R561 F592 F595V553-C557 PolarHBondContact O-N 3.32Å; V553-C557 VanDerWaalsContact O-N 3.11Å; V553-C557 PolarHBondContact O-SG 3.06Å; E554-C557 CarbonylContact O-C 3.58Å; E554-C557 WeakPolarHBondContact O-CB 3.29Å; E554-C557 PolarHBondContact O-N 3.16Å; E554-C557 VanDerWaalsContact O-N 3.14Å; G555-C557 VanDerWaalsContact C-N 3.27Å; G555-C557 PolarHBondContact O-N 3.09Å; C557-R561 WeakPolarHBondContact O-CB 3.39Å; C557-R561 VanDerWaalsContact O-CG 3.32Å; C557-R561 WeakPolarHBondContact O-CG 3.47Å; C557-R561 PolarHBondContact O-N 3.16Å; C557-R561 VanDerWaalsContact O-N 3.11Å; C557-F592 HydrophobicContact CB-CD1 3.89Å; C557-F592 HydrophobicContact CB-CE1 3.69Å; C557-F592 HydrophobicContact CB-CZ 4.35Å; C557-F595 HydrophobicContact CB-CE2 4.42Å; C557-F595 HydrophobicContact CB-CZ 4.16Å
558W96.8Very high95.8Very high0 Ų016.8 Ų16.80%08%0.083CC..Hα-helixtrans-67.7-50.3178.8-174.994.9000111P107 A109 F346 E554 G555 L560 R561 Y562 S569 W572 F595P107-W558 HydrophobicContact CB-CH2 3.89Å; P107-W558 HydrophobicContact CB-CZ2 3.52Å; P107-W558 HydrophobicContact CG-CH2 4.05Å; P107-W558 HydrophobicContact CG-CZ2 3.92Å; A109-W558 HydrophobicContact CB-CE3 4.47Å; A109-W558 HydrophobicContact CB-CH2 4.02Å; A109-W558 HydrophobicContact CB-CZ2 4.28Å; A109-W558 HydrophobicContact CB-CZ3 4.12Å; F346-W558 HydrophobicContact CB-CZ3 4.27Å; F346-W558 HydrophobicContact CD1-CE3 4.48Å; F346-W558 AromaticContact CD1-CH2 3.94Å; F346-W558 HydrophobicContact CD1-CH2 3.94Å; F346-W558 AromaticContact CD1-CZ3 3.46Å; F346-W558 HydrophobicContact CD1-CZ3 3.46Å; F346-W558 VanDerWaalsContact CD1-CZ3 3.46Å; F346-W558 HydrophobicContact CD2-CZ3 4.2Å; F346-W558 AromaticContact CE1-CH2 3.98Å; F346-W558 HydrophobicContact CE1-CH2 3.98Å; F346-W558 AromaticContact CE1-CZ3 3.75Å; F346-W558 HydrophobicContact CE1-CZ3 3.75Å; F346-W558 HydrophobicContact CE2-CZ3 4.47Å; F346-W558 HydrophobicContact CG-CE3 4.37Å; F346-W558 AromaticContact CG-CZ3 3.7Å; F346-W558 HydrophobicContact CG-CZ3 3.7Å; F346-W558 HydrophobicContact CZ-CZ3 4.26Å; E554-W558 WeakPolarHBondContact O-CB 3.39Å; E554-W558 PolarHBondContact O-N 3.18Å; G555-W558 WeakPolarHBondContact O-CB 3.27Å; G555-W558 PolarHBondContact O-N 3.11Å; G555-W558 VanDerWaalsContact O-N 3.11Å; W558-L560 PolarHBondContact O-N 3.16Å; W558-R561 PolarHBondContact O-N 3.21Å; W558-Y562 HydrophobicContact CE3-CD1 4.49Å; W558-Y562 AromaticContact CH2-CD1 3.33Å; W558-Y562 HydrophobicContact CH2-CD1 3.33Å; W558-Y562 AromaticContact CH2-CE1 3.65Å; W558-Y562 HydrophobicContact CH2-CE1 3.65Å; W558-Y562 AromaticContact CH2-CG 3.86Å; W558-Y562 HydrophobicContact CH2-CG 3.86Å; W558-Y562 HydrophobicContact CZ2-CD1 4.27Å; W558-Y562 HydrophobicContact CZ2-CG 4.4Å; W558-Y562 AromaticContact CZ3-CD1 3.48Å; W558-Y562 HydrophobicContact CZ3-CD1 3.48Å; W558-Y562 VanDerWaalsContact CZ3-CD1 3.48Å; W558-Y562 HydrophobicContact CZ3-CE1 4.13Å; W558-Y562 HydrophobicContact CZ3-CG 4.09Å; W558-Y562 WeakPolarHBondContact O-CB 3.34Å; W558-Y562 PolarHBondContact O-N 2.66Å; W558-S569 PolarHBondContact NE1-O 3.44Å; W558-W572 HydrophobicContact CB-CD2 4.25Å; W558-W572 HydrophobicContact CB-CE3 3.85Å; W558-W572 HydrophobicContact CB-CZ3 4.12Å; W558-W572 AromaticContact CD1-CE3 3.69Å; W558-W572 AromaticContact CD2-CE3 3.77Å; W558-W572 HydrophobicContact CD2-CE3 3.77Å; W558-W572 HydrophobicContact CD2-CZ3 4.14Å; W558-W572 HydrophobicContact CE3-CE3 4.37Å; W558-W572 HydrophobicContact CE3-CZ3 4.31Å; W558-W572 HydrophobicContact CG-CD2 4.08Å; W558-W572 AromaticContact CG-CE3 3.48Å; W558-W572 HydrophobicContact CG-CE3 3.48Å; W558-W572 VanDerWaalsContact CG-CE3 3.48Å; W558-W572 HydrophobicContact CG-CZ3 4.05Å; W558-F595 HydrophobicContact CB-CE1 4.03Å; W558-F595 HydrophobicContact CB-CE2 4.26Å; W558-F595 HydrophobicContact CB-CZ 3.57Å; W558-F595 HydrophobicContact CG-CZ 4.3Å
559V96.1Very high95.8Very high0 Ų017 Ų170%08%0.084CC..Hα-helixtrans-61.5-46.2179.9177.30000110.5F340 F346 G555 R561 Y562 Y563F340-V559 HydrophobicContact CD1-CG1 4.02Å; F340-V559 HydrophobicContact CD2-CG1 3.95Å; F340-V559 HydrophobicContact CE1-CG1 3.87Å; F340-V559 HydrophobicContact CE2-CG1 3.81Å; F340-V559 HydrophobicContact CG-CG1 4.07Å; F340-V559 HydrophobicContact CZ-CG1 3.77Å; F346-V559 HydrophobicContact CB-CG2 3.79Å; F346-V559 HydrophobicContact CD2-CB 4.46Å; F346-V559 HydrophobicContact CD2-CG1 4.11Å; F346-V559 HydrophobicContact CD2-CG2 3.54Å; F346-V559 HydrophobicContact CE2-CG1 4.37Å; F346-V559 HydrophobicContact CE2-CG2 4.45Å; F346-V559 HydrophobicContact CG-CG2 3.92Å; G555-V559 WeakPolarHBondContact O-CG2 3.23Å; G555-V559 PolarHBondContact O-N 2.98Å; V559-R561 PolarHBondContact O-N 3.02Å; V559-Y562 PolarHBondContact O-N 3.41Å; V559-Y562 VanDerWaalsContact O-N 3.17Å; V559-Y563 HydrophobicContact CG1-CD2 4.1Å; V559-Y563 HydrophobicContact CG1-CE2 3.82Å; V559-Y563 WeakPolarHBondContact O-CD2 3.47Å; V559-Y563 PolarHBondContact O-N 2.78Å; V559-Y563 VanDerWaalsContact O-N 3.12Å
560L96.2Very high95.8Very high1 Ų119.1 Ų19.11%0.0059%0.092CC..Hα-helixtrans-64-40179-171.370000112.1F337 F340 T379 G382 V384 L556 W558 Y564F337-L560 HydrophobicContact CB-CD1 4.2Å; F337-L560 HydrophobicContact CD2-CB 4.09Å; F337-L560 HydrophobicContact CD2-CD1 4.06Å; F337-L560 HydrophobicContact CD2-CD2 3.87Å; F337-L560 HydrophobicContact CD2-CG 4.2Å; F337-L560 HydrophobicContact CE2-CB 4.41Å; F337-L560 HydrophobicContact CE2-CD2 4.36Å; F337-L560 HydrophobicContact CG-CD2 4.5Å; F340-L560 HydrophobicContact CE2-CB 4.2Å; F340-L560 HydrophobicContact CE2-CD1 3.87Å; T379-L560 HydrophobicContact CG2-CD2 3.49Å; T379-L560 VanDerWaalsContact CG2-CD2 3.49Å; G382-L560 WeakPolarHBondContact O-CD2 3.19Å; V384-L560 HydrophobicContact CG2-CB 4.35Å; V384-L560 HydrophobicContact CG2-CD2 3.54Å; L556-L560 WeakPolarHBondContact O-CB 3.31Å; L556-L560 PolarHBondContact O-N 3.02Å; W558-L560 PolarHBondContact O-N 3.16Å; L560-Y564 HydrophobicContact CD1-CD2 3.63Å; L560-Y564 HydrophobicContact CD1-CE2 3.61Å; L560-Y564 HydrophobicContact CG-CD2 4.25Å; L560-Y564 WeakPolarHBondContact O-CB 3.42Å; L560-Y564 WeakPolarHBondContact O-CD2 3.28Å; L560-Y564 PolarHBondContact O-N 2.77Å; L560-Y564 VanDerWaalsContact O-N 3.16Å
561R95.8Very high95.7Very high44 Ų4416.4 Ų16.417%0.1668%0.084CC..Hα-helixtrans-65.5-39.9172.6-71.8-174.6-166.6-164.95.1112G382 C557 W558 V559 Y563 Y564 Q565 G566 A568G382-R561 WeakPolarHBondContact O-CG 3.37Å; C557-R561 WeakPolarHBondContact O-CB 3.39Å; C557-R561 VanDerWaalsContact O-CG 3.32Å; C557-R561 WeakPolarHBondContact O-CG 3.47Å; C557-R561 PolarHBondContact O-N 3.16Å; C557-R561 VanDerWaalsContact O-N 3.11Å; W558-R561 PolarHBondContact O-N 3.21Å; V559-R561 PolarHBondContact O-N 3.02Å; R561-Y563 VanDerWaalsContact C-N 3.26Å; R561-Y563 PolarHBondContact O-N 3.33Å; R561-Y564 PolarHBondContact O-N 3Å; R561-Q565 WeakPolarHBondContact O-CA 3.45Å; R561-Q565 PolarHBondContact O-N 3.24Å; R561-G566 CarbonylContact C-O 3.52Å; R561-G566 PolarHBondContact O-N 2.68Å; R561-A568 HydrophobicContact CB-CB 3.73Å; R561-A568 HydrophobicContact CG-CB 4.4Å
562Y96.2Very high95.7Very high5 Ų517.2 Ų17.22%0.029%0.085CC..Hα-helixtrans-59.5-37.1179.9-170.7-152.8000112.4P107 E203 H206 F346 W558 V559 G566 C567P107-Y562 HydrophobicContact CG-CE1 4.33Å; P107-Y562 HydrophobicContact CG-CE2 4.28Å; E203-Y562 VanDerWaalsContact OE1-CE1 3.3Å; E203-Y562 WeakPolarHBondContact OE1-CE1 3.39Å; E203-Y562 PolarHBondContact OE1-OH 2.93Å; H206-Y562 HydrophobicContact CB-CE2 3.89Å; H206-Y562 AromaticContact CD2-CE1 3.47Å; H206-Y562 VanDerWaalsContact CD2-CE1 3.47Å; H206-Y562 WeakPolarHBondContact CD2-CE1 3.33Å; H206-Y562 AromaticContact CD2-CZ 3.49Å; H206-Y562 VanDerWaalsContact CD2-CZ 3.49Å; H206-Y562 AromaticContact CE1-CD1 3.45Å; H206-Y562 VanDerWaalsContact CE1-CD1 3.45Å; H206-Y562 WeakPolarHBondContact CE1-CD1 3.49Å; H206-Y562 AromaticContact CE1-CD2 3.74Å; H206-Y562 AromaticContact CE1-CE1 3.65Å; H206-Y562 AromaticContact CE1-CE2 3.93Å; H206-Y562 AromaticContact CE1-CG 3.51Å; H206-Y562 AromaticContact CE1-CZ 3.89Å; H206-Y562 PolarHBondContact CE1-O 2.96Å; H206-Y562 AromaticContact CG-CE1 3.8Å; H206-Y562 AromaticContact CG-CE2 3.54Å; H206-Y562 AromaticContact CG-CZ 3.37Å; H206-Y562 AromaticContact ND1-CD1 3.97Å; H206-Y562 AromaticContact ND1-CD2 3.5Å; H206-Y562 AromaticContact ND1-CE1 3.9Å; H206-Y562 AromaticContact ND1-CE2 3.43Å; H206-Y562 WeakPolarHBondContact ND1-CE2 3.48Å; H206-Y562 AromaticContact ND1-CG 3.8Å; H206-Y562 AromaticContact ND1-CZ 3.64Å; H206-Y562 PolarHBondContact ND1-O 2.97Å; H206-Y562 AromaticContact NE2-CD1 3.5Å; H206-Y562 AromaticContact NE2-CE1 3.38Å; H206-Y562 WeakPolarHBondContact NE2-CE1 3.43Å; H206-Y562 AromaticContact NE2-CZ 3.83Å; F346-Y562 HydrophobicContact CE1-CD1 4.16Å; F346-Y562 AromaticContact CE1-CE1 3.86Å; F346-Y562 HydrophobicContact CE1-CE1 3.86Å; F346-Y562 HydrophobicContact CE2-CD1 4.5Å; F346-Y562 AromaticContact CZ-CD1 3.89Å; F346-Y562 HydrophobicContact CZ-CD1 3.89Å; F346-Y562 AromaticContact CZ-CE1 3.75Å; F346-Y562 HydrophobicContact CZ-CE1 3.75Å; W558-Y562 HydrophobicContact CE3-CD1 4.49Å; W558-Y562 AromaticContact CH2-CD1 3.33Å; W558-Y562 HydrophobicContact CH2-CD1 3.33Å; W558-Y562 AromaticContact CH2-CE1 3.65Å; W558-Y562 HydrophobicContact CH2-CE1 3.65Å; W558-Y562 AromaticContact CH2-CG 3.86Å; W558-Y562 HydrophobicContact CH2-CG 3.86Å; W558-Y562 HydrophobicContact CZ2-CD1 4.27Å; W558-Y562 HydrophobicContact CZ2-CG 4.4Å; W558-Y562 AromaticContact CZ3-CD1 3.48Å; W558-Y562 HydrophobicContact CZ3-CD1 3.48Å; W558-Y562 VanDerWaalsContact CZ3-CD1 3.48Å; W558-Y562 HydrophobicContact CZ3-CE1 4.13Å; W558-Y562 HydrophobicContact CZ3-CG 4.09Å; W558-Y562 WeakPolarHBondContact O-CB 3.34Å; W558-Y562 PolarHBondContact O-N 2.66Å; V559-Y562 PolarHBondContact O-N 3.41Å; V559-Y562 VanDerWaalsContact O-N 3.17Å; Y562-G566 WeakPolarHBondContact CA-O 3.34Å; Y562-C567 HydrophobicContact CD2-CB 3.96Å; Y562-C567 HydrophobicContact CE2-CB 3.94Å
563Y96Very high95.6Very high7 Ų719.7 Ų19.73%0.02710%0.095CC..Hα-helixtrans-76.4-40.9178.2-78.8-134.4000112.7H206 D235 M238 L239 F340 F346 V559 R561H206-Y563 AromaticContact CE1-CD2 3.59Å; H206-Y563 AromaticContact CE1-CE2 3.89Å; H206-Y563 AromaticContact NE2-CD2 3.92Å; H206-Y563 AromaticContact NE2-CE2 3.72Å; D235-Y563 WeakPolarHBondContact CB-OH 3.23Å; D235-Y563 PolarHBondContact OD2-OH 3.46Å; D235-Y563 VanDerWaalsContact OD2-OH 3.07Å; M238-Y563 HydrophobicContact CB-CD1 4.37Å; M238-Y563 HydrophobicContact CB-CE1 3.85Å; L239-Y563 HydrophobicContact CD2-CD1 3.39Å; L239-Y563 HydrophobicContact CD2-CD2 3.94Å; L239-Y563 HydrophobicContact CD2-CE1 3.73Å; L239-Y563 HydrophobicContact CD2-CE2 4.21Å; L239-Y563 HydrophobicContact CD2-CG 3.51Å; L239-Y563 HydrophobicContact CG-CD1 3.91Å; L239-Y563 HydrophobicContact CG-CE1 3.81Å; L239-Y563 HydrophobicContact CG-CG 4.48Å; F340-Y563 HydrophobicContact CE1-CD1 4.03Å; F340-Y563 AromaticContact CE1-CE1 3.56Å; F340-Y563 HydrophobicContact CE1-CE1 3.56Å; F340-Y563 HydrophobicContact CE1-CE2 4.4Å; F340-Y563 AromaticContact CE1-CZ 3.78Å; F340-Y563 AromaticContact CZ-CD1 3.68Å; F340-Y563 HydrophobicContact CZ-CD1 3.68Å; F340-Y563 HydrophobicContact CZ-CD2 4.35Å; F340-Y563 AromaticContact CZ-CE1 3.73Å; F340-Y563 HydrophobicContact CZ-CE1 3.73Å; F340-Y563 HydrophobicContact CZ-CE2 4.43Å; F340-Y563 HydrophobicContact CZ-CG 4.01Å; F346-Y563 HydrophobicContact CE2-CE2 4.14Å; V559-Y563 HydrophobicContact CG1-CD2 4.1Å; V559-Y563 HydrophobicContact CG1-CE2 3.82Å; V559-Y563 WeakPolarHBondContact O-CD2 3.47Å; V559-Y563 PolarHBondContact O-N 2.78Å; V559-Y563 VanDerWaalsContact O-N 3.12Å; R561-Y563 VanDerWaalsContact C-N 3.26Å; R561-Y563 PolarHBondContact O-N 3.33Å
564Y96.8Very high95.7Very high8 Ų820 Ų203%0.03110%0.097CC..Hα-helixtrans-101.1-20.7-169.3-82.3-95.1000115.7R213 A242 H244 D333 V336 G382 L560 R561 A778R213-Y564 WeakPolarHBondContact CD-O 3.45Å; A242-Y564 HydrophobicContact CB-CD1 4.38Å; A242-Y564 HydrophobicContact CB-CD2 4.14Å; A242-Y564 HydrophobicContact CB-CE1 3.89Å; A242-Y564 HydrophobicContact CB-CE2 3.58Å; A242-Y564 VanDerWaalsContact CB-CZ 3.44Å; H244-Y564 AromaticContact NE2-CE1 3.72Å; D333-Y564 WeakPolarHBondContact CA-OH 3.49Å; D333-Y564 WeakPolarHBondContact OD1-CE1 3.45Å; D333-Y564 VanDerWaalsContact OD1-CZ 3.3Å; D333-Y564 PolarHBondContact OD1-OH 2.93Å; V336-Y564 HydrophobicContact CG1-CE2 4.26Å; G382-Y564 VanDerWaalsContact CA-CB 3.4Å; L560-Y564 HydrophobicContact CD1-CD2 3.63Å; L560-Y564 HydrophobicContact CD1-CE2 3.61Å; L560-Y564 HydrophobicContact CG-CD2 4.25Å; L560-Y564 WeakPolarHBondContact O-CB 3.42Å; L560-Y564 WeakPolarHBondContact O-CD2 3.28Å; L560-Y564 PolarHBondContact O-N 2.77Å; L560-Y564 VanDerWaalsContact O-N 3.16Å; R561-Y564 PolarHBondContact O-N 3Å; Y564-A778 HydrophobicContact CD1-CB 4Å; Y564-A778 HydrophobicContact CE1-CB 3.83Å
565Q95.9Very high95.6Very high30 Ų3020.1 Ų20.114%0.1410%0.101CC..THydrogen-bonded Turntrans-131.4-21.1-174.2-59.7-58.1-35.900113.3R213 N381 F383 R561 F776R213-Q565 VanDerWaalsContact CZ-C 3.42Å; R213-Q565 PolarHBondContact NE-O 2.89Å; R213-Q565 PolarHBondContact NH2-O 3.08Å; N381-Q565 PolarHBondContact O-NE2 3.36Å; F383-Q565 HydrophobicContact CE2-CG 4.41Å; R561-Q565 WeakPolarHBondContact O-CA 3.45Å; R561-Q565 PolarHBondContact O-N 3.24Å; Q565-F776 PolarHBondContact NE2-O 3.28Å; Q565-F776 VanDerWaalsContact OE1-CD2 3.31Å
566G94.1Very high95.6Very high7 Ų721.4 Ų21.47%0.07211%0.107CC..SBendtrans107.2177.8-174.100000111.8R213 R561 Y562 A568R213-G566 VanDerWaalsContact NH2-CA 3.32Å; R561-G566 CarbonylContact C-O 3.52Å; R561-G566 PolarHBondContact O-N 2.68Å; Y562-G566 WeakPolarHBondContact CA-O 3.34Å; G566-A568 PolarHBondContact O-N 3Å
567C95Very high95.5Very high33 Ų3323.9 Ų23.922%0.22312%0.118CC..  trans-60.9109-171.9-169.20000112.2P107 Y562 W570P107-C567 VanDerWaalsContact CG-SG 3.55Å; Y562-C567 HydrophobicContact CD2-CB 3.96Å; Y562-C567 HydrophobicContact CE2-CB 3.94Å; C567-W570 HydrophobicContact CB-CD2 4.44Å; C567-W570 HydrophobicContact CB-CZ2 4Å
568A93.6Very high95.4Very high28 Ų2824.4 Ų24.423%0.23112%0.12CC..SBendtrans-79.8-17.1-17600000114R561 G566 F595R561-A568 HydrophobicContact CB-CB 3.73Å; R561-A568 HydrophobicContact CG-CB 4.4Å; G566-A568 PolarHBondContact O-N 3Å; A568-F595 HydrophobicContact CB-CD2 3.76Å; A568-F595 HydrophobicContact CB-CE2 4.1Å
569S95.2Very high95.3Very high3 Ų324.5 Ų24.52%0.02112%0.12CC..  trans-164.2126168.3-177.70000110.2W558 K571 W572 T599W558-S569 PolarHBondContact NE1-O 3.44Å; S569-K571 VanDerWaalsContact C-N 3.34Å; S569-K571 PolarHBondContact OG-N 2.97Å; S569-W572 PolarHBondContact OG-N 3.44Å; S569-T599 WeakPolarHBondContact CA-OG1 3.42Å
570W95.8Very high95.3Very high46 Ų4624.5 Ų24.517%0.17412%0.12CC..SBendtrans-76.1-22.6177.3-68.790.6000113.1V105 P107 R108 P201 C567 T599 K600 P601V105-W570 WeakPolarHBondContact O-CZ3 3.47Å; P107-W570 HydrophobicContact CB-CE3 4.23Å; P107-W570 HydrophobicContact CG-CE3 3.93Å; P107-W570 HydrophobicContact CG-CZ3 3.93Å; R108-W570 WeakPolarHBondContact CB-O 3.37Å; R108-W570 PolarHBondContact N-O 2.98Å; P201-W570 HydrophobicContact CB-CH2 4.12Å; P201-W570 HydrophobicContact CB-CZ3 4.44Å; C567-W570 HydrophobicContact CB-CD2 4.44Å; C567-W570 HydrophobicContact CB-CZ2 4Å; W570-T599 PolarHBondContact N-OG1 2.78Å; W570-K600 VanDerWaalsContact CB-C 3.48Å; W570-K600 VanDerWaalsContact CB-O 3.25Å; W570-K600 WeakPolarHBondContact CB-O 3.21Å; W570-P601 HydrophobicContact CD2-CB 4.02Å; W570-P601 HydrophobicContact CE3-CB 3.71Å; W570-P601 HydrophobicContact CZ3-CB 3.99Å
571K94.4Very high95.2Very high66 Ų6624.4 Ų24.429%0.28712%0.12SC..SBendtrans-89.6-27.9-179.5-65.5-179.2-174.1168.60114.2R108 S569 E596 T599R108-K571 WeakPolarHBondContact CB-O 3.49Å; R108-K571 WeakPolarHBondContact CG-O 3.14Å; S569-K571 VanDerWaalsContact C-N 3.34Å; S569-K571 PolarHBondContact OG-N 2.97Å; K571-E596 WeakPolarHBondContact CD-OE2 3.47Å; K571-E596 VanDerWaalsContact NZ-CD 3.33Å; K571-E596 IonicContact NZ-OE1 2.8Å; K571-E596 PolarHBondContact NZ-OE1 2.95Å; K571-E596 IonicContact NZ-OE2 2.75Å; K571-E596 PolarHBondContact NZ-OE2 2.94Å; K571-T599 HydrophobicContact CB-CG2 4.3Å; K571-T599 HydrophobicContact CD-CG2 3.8Å; K571-T599 HydrophobicContact CG-CG2 3.92Å
572W95.4Very high95.2Very high28 Ų2822.3 Ų22.311%0.10611%0.112CC..  trans-64.1140-173.3-177.792.1000111.6A109 L347 S551 E554 W558 S569 F574 F595A109-W572 HydrophobicContact CB-CE3 4.19Å; A109-W572 HydrophobicContact CB-CZ3 4.05Å; A109-W572 PolarHBondContact N-O 3.44Å; L347-W572 HydrophobicContact CD2-CH2 4.39Å; S551-W572 WeakPolarHBondContact O-CZ2 3.48Å; E554-W572 HydrophobicContact CB-CZ2 4.19Å; E554-W572 PolarHBondContact OE2-NE1 3.4Å; W558-W572 HydrophobicContact CB-CD2 4.25Å; W558-W572 HydrophobicContact CB-CE3 3.85Å; W558-W572 HydrophobicContact CB-CZ3 4.12Å; W558-W572 AromaticContact CD1-CE3 3.69Å; W558-W572 AromaticContact CD2-CE3 3.77Å; W558-W572 HydrophobicContact CD2-CE3 3.77Å; W558-W572 HydrophobicContact CD2-CZ3 4.14Å; W558-W572 HydrophobicContact CE3-CE3 4.37Å; W558-W572 HydrophobicContact CE3-CZ3 4.31Å; W558-W572 HydrophobicContact CG-CD2 4.08Å; W558-W572 AromaticContact CG-CE3 3.48Å; W558-W572 HydrophobicContact CG-CE3 3.48Å; W558-W572 VanDerWaalsContact CG-CE3 3.48Å; W558-W572 HydrophobicContact CG-CZ3 4.05Å; S569-W572 PolarHBondContact OG-N 3.44Å; W572-F574 HydrophobicContact CH2-CB 3.87Å; W572-F574 HydrophobicContact CZ2-CB 4.31Å; W572-F595 AromaticContact CD1-CE1 4Å; W572-F595 HydrophobicContact CG-CD1 4.36Å; W572-F595 HydrophobicContact CG-CE1 4.17Å
573F95.8Very high95.1Very high52 Ų5223.1 Ų23.123%0.22812%0.118CC..  trans-153157.2170.871.1-81.2000110.7R108 A109 N112 P575 F662R108-F573 HydrophobicContact CB-CB 4.5Å; R108-F573 HydrophobicContact CG-CB 4.16Å; R108-F573 HydrophobicContact CG-CD1 3.71Å; R108-F573 HydrophobicContact CG-CE1 4.45Å; R108-F573 HydrophobicContact CG-CG 4.18Å; A109-F573 HydrophobicContact CB-CB 4.48Å; N112-F573 WeakPolarHBondContact ND2-CD2 3.34Å; N112-F573 WeakPolarHBondContact ND2-CG 3.19Å; F573-P575 HydrophobicContact CD2-CB 4.38Å; F573-P575 HydrophobicContact CE2-CB 3.85Å; F573-P575 HydrophobicContact CZ-CB 4.36Å; F573-P575 WeakPolarHBondContact O-CD 3.49Å; F573-F662 HydrophobicContact CD2-CD1 4.19Å; F573-F662 HydrophobicContact CD2-CE1 4.41Å; F573-F662 HydrophobicContact CE2-CB 4.21Å; F573-F662 AromaticContact CE2-CD1 3.76Å; F573-F662 HydrophobicContact CE2-CD1 3.76Å; F573-F662 HydrophobicContact CE2-CE1 4.28Å; F573-F662 AromaticContact CE2-CG 4Å; F573-F662 HydrophobicContact CE2-CG 4Å
574F96.3Very high95Very high10 Ų1023.2 Ų23.24%0.04412%0.119CC..  trans-78.3116.9172.8-176.3-112000110.6L347 P348 V548 Y552 W572 F576 Y578L347-F574 HydrophobicContact CD2-CB 3.74Å; L347-F574 HydrophobicContact CD2-CD1 4.21Å; L347-F574 HydrophobicContact CD2-CD2 3.77Å; L347-F574 HydrophobicContact CD2-CE2 4.44Å; L347-F574 HydrophobicContact CD2-CG 3.64Å; P348-F574 HydrophobicContact CG-CD1 4.08Å; P348-F574 HydrophobicContact CG-CE1 3.65Å; V548-F574 HydrophobicContact CG1-CZ 4.28Å; Y552-F574 HydrophobicContact CD2-CE1 4.47Å; Y552-F574 AromaticContact CD2-CE2 3.85Å; Y552-F574 HydrophobicContact CD2-CE2 3.85Å; Y552-F574 AromaticContact CD2-CZ 3.83Å; Y552-F574 HydrophobicContact CD2-CZ 3.83Å; Y552-F574 HydrophobicContact CG-CE2 4.34Å; W572-F574 HydrophobicContact CH2-CB 3.87Å; W572-F574 HydrophobicContact CZ2-CB 4.31Å; F574-F576 VanDerWaalsContact C-N 3.28Å; F574-F576 HydrophobicContact CD1-CB 4.36Å; F574-F576 WeakPolarHBondContact CD1-O 3.46Å; F574-F576 HydrophobicContact CD2-CD2 4.42Å; F574-F576 HydrophobicContact CE1-CB 3.71Å; F574-F576 HydrophobicContact CE1-CD2 4.31Å; F574-F576 WeakPolarHBondContact CE1-O 3.38Å; F574-F576 AromaticContact CE2-CD2 3.85Å; F574-F576 HydrophobicContact CE2-CD2 3.85Å; F574-F576 HydrophobicContact CZ-CB 3.91Å; F574-F576 AromaticContact CZ-CD2 3.79Å; F574-F576 HydrophobicContact CZ-CD2 3.79Å; F574-F576 HydrophobicContact CZ-CG 4.31Å; F574-F576 PolarHBondContact O-N 3.02Å; F574-Y578 WeakPolarHBondContact CE1-O 3.29Å; F574-Y578 WeakPolarHBondContact CZ-O 3.42Å
575P95.7Very high94.9Very high46 Ų4622.9 Ų22.930%0.29912%0.118SC..  trans-91.630.9-166.637.5-36.2000113.8F573 F662F573-P575 HydrophobicContact CD2-CB 4.38Å; F573-P575 HydrophobicContact CE2-CB 3.85Å; F573-P575 HydrophobicContact CZ-CB 4.36Å; F573-P575 WeakPolarHBondContact O-CD 3.49Å; P575-F662 WeakPolarHBondContact O-CE2 3.36Å
576F95.3Very high94.7Very high26 Ų2628.5 Ų28.511%0.11414%0.138CC..SBendtrans-141.7149.2179-51.3-85.3000110.7F535 F544 K547 V548 F574 Y578F535-F576 HydrophobicContact CD1-CD1 4.17Å; F535-F576 HydrophobicContact CE1-CB 4.05Å; F535-F576 HydrophobicContact CE1-CD1 4.02Å; F535-F576 HydrophobicContact CE1-CG 4.2Å; F544-F576 HydrophobicContact CE2-CE1 4.06Å; F544-F576 HydrophobicContact CZ-CD1 4.32Å; F544-F576 AromaticContact CZ-CE1 3.77Å; F544-F576 HydrophobicContact CZ-CE1 3.77Å; K547-F576 HydrophobicContact CD-CZ 4.28Å; K547-F576 HydrophobicContact CG-CZ 4.25Å; V548-F576 HydrophobicContact CB-CE2 4.28Å; V548-F576 HydrophobicContact CB-CZ 4.47Å; V548-F576 HydrophobicContact CG1-CD2 4.35Å; V548-F576 HydrophobicContact CG2-CD1 4.17Å; V548-F576 HydrophobicContact CG2-CD2 4.26Å; V548-F576 HydrophobicContact CG2-CE1 3.82Å; V548-F576 HydrophobicContact CG2-CE2 3.94Å; V548-F576 HydrophobicContact CG2-CG 4.37Å; V548-F576 HydrophobicContact CG2-CZ 3.69Å; F574-F576 VanDerWaalsContact C-N 3.28Å; F574-F576 HydrophobicContact CD1-CB 4.36Å; F574-F576 WeakPolarHBondContact CD1-O 3.46Å; F574-F576 HydrophobicContact CD2-CD2 4.42Å; F574-F576 HydrophobicContact CE1-CB 3.71Å; F574-F576 HydrophobicContact CE1-CD2 4.31Å; F574-F576 WeakPolarHBondContact CE1-O 3.38Å; F574-F576 AromaticContact CE2-CD2 3.85Å; F574-F576 HydrophobicContact CE2-CD2 3.85Å; F574-F576 HydrophobicContact CZ-CB 3.91Å; F574-F576 AromaticContact CZ-CD2 3.79Å; F574-F576 HydrophobicContact CZ-CD2 3.79Å; F574-F576 HydrophobicContact CZ-CG 4.31Å; F574-F576 PolarHBondContact O-N 3.02Å; F576-Y578 VanDerWaalsContact C-N 3.31Å; F576-Y578 PolarHBondContact O-N 2.91Å
577H93.7Very high94.6Very high57 Ų5733.5 Ų33.526%0.26416%0.163SC..SBendtrans-79.2-11.6178.6-54.181.5000113.9V657 L659 L660 F662H577-V657 HydrophobicContact CB-CG1 3.87Å; H577-L659 HydrophobicContact CB-CD2 4.05Å; H577-L660 PolarHBondContact NE2-O 2.93Å; H577-F662 AromaticContact CE1-CE2 3.43Å; H577-F662 VanDerWaalsContact CE1-CE2 3.43Å; H577-F662 WeakPolarHBondContact CE1-CE2 3.47Å; H577-F662 AromaticContact CE1-CZ 3.87Å; H577-F662 AromaticContact ND1-CE2 3.83Å; H577-F662 AromaticContact NE2-CE2 3.9Å; H577-F662 AromaticContact NE2-CZ 3.95Å
578Y93.6Very high94.6Very high16 Ų1632 Ų326%0.06315%0.153CC..SBendtrans-135.2153.7-172.2-50.7-78.8000112.6K534 F574 F576 D646 V657 L659K534-Y578 HydrophobicContact CB-CD2 3.77Å; K534-Y578 HydrophobicContact CB-CE2 3.9Å; K534-Y578 HydrophobicContact CB-CG 4.08Å; K534-Y578 HydrophobicContact CD-CD1 4.4Å; K534-Y578 HydrophobicContact CD-CE1 3.9Å; K534-Y578 HydrophobicContact CD-CE2 4.24Å; K534-Y578 VanDerWaalsContact O-CD2 3.24Å; K534-Y578 WeakPolarHBondContact O-CD2 3.45Å; K534-Y578 WeakPolarHBondContact O-CE2 3.41Å; F574-Y578 WeakPolarHBondContact CE1-O 3.29Å; F574-Y578 WeakPolarHBondContact CZ-O 3.42Å; F576-Y578 VanDerWaalsContact C-N 3.31Å; F576-Y578 PolarHBondContact O-N 2.91Å; Y578-D646 VanDerWaalsContact CE1-OD2 3.28Å; Y578-D646 WeakPolarHBondContact CE1-OD2 3.3Å; Y578-D646 WeakPolarHBondContact OH-CB 3.27Å; Y578-D646 PolarHBondContact OH-OD2 2.92Å; Y578-D646 VanDerWaalsContact OH-OD2 3.06Å; Y578-V657 HydrophobicContact CE1-CB 4.33Å; Y578-V657 HydrophobicContact CE1-CG1 4.37Å; Y578-V657 HydrophobicContact CE1-CG2 4.16Å; Y578-L659 HydrophobicContact CE2-CD2 4.33Å
579A94.4Very high94.3Very high1 Ų135 Ų351%0.00816%0.162CC..PPolyproline II helixtrans-84.6156.9178.700000112.7P348 H349 L350 Y530 Y552P348-A579 HydrophobicContact CB-CB 4.33Å; P348-A579 HydrophobicContact CG-CB 4.06Å; H349-A579 WeakPolarHBondContact O-CB 3.13Å; L350-A579 HydrophobicContact CD2-CB 4.01Å; Y530-A579 WeakPolarHBondContact CE1-O 3.4Å; Y530-A579 PolarHBondContact OH-O 2.6Å; Y530-A579 VanDerWaalsContact OH-O 3.1Å; Y552-A579 HydrophobicContact CD2-CB 4.31Å; Y552-A579 HydrophobicContact CE2-CB 3.72Å
580P95.3Very high94Very high0 Ų043.3 Ų43.30%020%0.198CC..PPolyproline II helixtrans-73.5173.1163.133.4-32.5000111.2P351 V548 V549 Y552 D584 F585P351-P580 WeakPolarHBondContact CD-O 3.3Å; V548-P580 HydrophobicContact CG1-CB 4.01Å; V548-P580 HydrophobicContact CG1-CG 4.15Å; V549-P580 HydrophobicContact CG2-CB 3.82Å; V549-P580 HydrophobicContact CG2-CG 4.08Å; Y552-P580 HydrophobicContact CD2-CG 4.3Å; Y552-P580 HydrophobicContact CG-CG 4.17Å; P580-D584 HydrophobicContact CB-CB 4.39Å; P580-F585 HydrophobicContact CG-CE2 3.8Å; P580-F585 HydrophobicContact CG-CZ 3.9Å
581F95.3Very high93.5Very high0 Ų042.2 Ų42.20%020%0.195CC..PPolyproline II helixtrans-85.6156.9169.8-65.5-81.7000111.6P351 F404 L521 W526 K527 Y530 Y531 S583 D584 F585P351-F581 HydrophobicContact CB-CD1 4.07Å; P351-F581 HydrophobicContact CB-CE1 3.74Å; P351-F581 HydrophobicContact CG-CD1 3.96Å; P351-F581 HydrophobicContact CG-CE1 3.82Å; P351-F581 HydrophobicContact CG-CZ 4.47Å; F404-F581 HydrophobicContact CE2-CD1 4.32Å; F404-F581 AromaticContact CE2-CE1 3.99Å; F404-F581 HydrophobicContact CE2-CE1 3.99Å; F404-F581 AromaticContact CZ-CD1 3.95Å; F404-F581 HydrophobicContact CZ-CD1 3.95Å; F404-F581 AromaticContact CZ-CE1 3.68Å; F404-F581 HydrophobicContact CZ-CE1 3.68Å; L521-F581 HydrophobicContact CD2-CE1 4.09Å; L521-F581 HydrophobicContact CD2-CZ 4.07Å; W526-F581 HydrophobicContact CE3-CD1 4.36Å; W526-F581 AromaticContact CE3-CE1 3.78Å; W526-F581 HydrophobicContact CE3-CE1 3.78Å; W526-F581 HydrophobicContact CE3-CE2 4.1Å; W526-F581 AromaticContact CE3-CZ 3.63Å; W526-F581 HydrophobicContact CE3-CZ 3.63Å; W526-F581 HydrophobicContact CH2-CD1 4.36Å; W526-F581 AromaticContact CZ3-CD1 3.6Å; W526-F581 HydrophobicContact CZ3-CD1 3.6Å; W526-F581 AromaticContact CZ3-CD2 3.98Å; W526-F581 HydrophobicContact CZ3-CD2 3.98Å; W526-F581 AromaticContact CZ3-CE1 3.49Å; W526-F581 HydrophobicContact CZ3-CE1 3.49Å; W526-F581 VanDerWaalsContact CZ3-CE1 3.49Å; W526-F581 AromaticContact CZ3-CE2 3.85Å; W526-F581 HydrophobicContact CZ3-CE2 3.85Å; W526-F581 AromaticContact CZ3-CG 3.83Å; W526-F581 HydrophobicContact CZ3-CG 3.83Å; W526-F581 AromaticContact CZ3-CZ 3.61Å; W526-F581 HydrophobicContact CZ3-CZ 3.61Å; K527-F581 HydrophobicContact CB-CE2 4.49Å; K527-F581 HydrophobicContact CD-CD2 4.21Å; K527-F581 HydrophobicContact CG-CD2 3.94Å; K527-F581 HydrophobicContact CG-CE2 3.91Å; Y530-F581 HydrophobicContact CD1-CD2 4.13Å; Y530-F581 AromaticContact CD1-CE2 3.2Å; Y530-F581 HydrophobicContact CD1-CE2 3.2Å; Y530-F581 AromaticContact CD1-CZ 3.51Å; Y530-F581 HydrophobicContact CD1-CZ 3.51Å; Y530-F581 HydrophobicContact CD2-CE2 4.46Å; Y530-F581 AromaticContact CD2-CZ 3.93Å; Y530-F581 HydrophobicContact CD2-CZ 3.93Å; Y530-F581 HydrophobicContact CE1-CD2 4.46Å; Y530-F581 AromaticContact CE1-CE2 3.84Å; Y530-F581 HydrophobicContact CE1-CE2 3.84Å; Y530-F581 HydrophobicContact CE1-CZ 4.04Å; Y530-F581 HydrophobicContact CE2-CZ 4.43Å; Y530-F581 AromaticContact CG-CE2 3.55Å; Y530-F581 HydrophobicContact CG-CE2 3.55Å; Y530-F581 AromaticContact CG-CZ 3.41Å; Y530-F581 HydrophobicContact CG-CZ 3.41Å; Y530-F581 VanDerWaalsContact CG-CZ 3.41Å; Y531-F581 AromaticContact CE2-CD2 3.96Å; Y531-F581 HydrophobicContact CE2-CD2 3.96Å; Y531-F581 HydrophobicContact CE2-CE2 4.2Å; F581-S583 PolarHBondContact O-N 3.32Å; F581-D584 WeakPolarHBondContact CB-OD2 3.37Å; F581-D584 PolarHBondContact N-OD2 3.13Å; F581-D584 WeakPolarHBondContact O-CB 3.34Å; F581-D584 PolarHBondContact O-N 2.9Å; F581-F585 VanDerWaalsContact O-CD2 3.31Å; F581-F585 WeakPolarHBondContact O-CD2 3.41Å; F581-F585 WeakPolarHBondContact O-CE2 3.38Å
582A94.9Very high93.2Very high0 Ų040.7 Ų40.70%019%0.188CC..G310 helixtrans-60.6-34.7177.800000111.7L350 M393 V396 E400 D584 F585L350-A582 HydrophobicContact CD1-CB 4.31Å; M393-A582 HydrophobicContact SD-CB 4.4Å; V396-A582 HydrophobicContact CB-CB 3.83Å; V396-A582 HydrophobicContact CG1-CB 3.54Å; E400-A582 HydrophobicContact CG-CB 4.38Å; E400-A582 PolarHBondContact OE1-N 3.23Å; E400-A582 PolarHBondContact OE2-N 3.22Å; A582-D584 PolarHBondContact O-N 2.86Å; A582-D584 VanDerWaalsContact O-N 3.17Å; A582-F585 WeakPolarHBondContact O-CD2 3.45Å; A582-F585 PolarHBondContact O-N 3.01Å
583S94.4Very high92.4Very high22 Ų2244 Ų4415%0.15422%0.216CC..G310 helixtrans-66-7.117453.30000116.1E400 K527 F581 R586E400-S583 WeakPolarHBondContact OE2-CB 3.44Å; E400-S583 PolarHBondContact OE2-N 2.95Å; E400-S583 PolarHBondContact OE2-OG 3.42Å; K527-S583 PolarHBondContact NZ-OG 3.5Å; F581-S583 PolarHBondContact O-N 3.32Å; S583-R586 PolarHBondContact O-NE 3.36Å
584D94.7Very high92Very high8 Ų847.5 Ų47.54%0.04323%0.233CC..G310 helixtrans-90.6-15.9172.4-67.4-57.6000114.1K527 Y531 R545 V549 P580 F581 A582 R586K527-D584 VanDerWaalsContact CE-CG 3.43Å; K527-D584 WeakPolarHBondContact CE-OD1 3.4Å; K527-D584 WeakPolarHBondContact CE-OD2 3.36Å; K527-D584 IonicContact NZ-OD1 3.48Å; K527-D584 PolarHBondContact NZ-OD1 3.08Å; K527-D584 IonicContact NZ-OD2 4Å; K527-D584 PolarHBondContact NZ-OD2 2.96Å; Y531-D584 PolarHBondContact OH-OD2 3.27Å; Y531-D584 VanDerWaalsContact OH-OD2 3.1Å; R545-D584 IonicContact CZ-OD1 3.53Å; R545-D584 VanDerWaalsContact CZ-OD1 3.27Å; R545-D584 IonicContact NE-OD1 2.88Å; R545-D584 PolarHBondContact NE-OD1 2.81Å; R545-D584 IonicContact NH2-OD1 3.46Å; R545-D584 PolarHBondContact NH2-OD1 2.71Å; V549-D584 HydrophobicContact CG2-CB 3.63Å; P580-D584 HydrophobicContact CB-CB 4.39Å; F581-D584 WeakPolarHBondContact CB-OD2 3.37Å; F581-D584 PolarHBondContact N-OD2 3.13Å; F581-D584 WeakPolarHBondContact O-CB 3.34Å; F581-D584 PolarHBondContact O-N 2.9Å; A582-D584 PolarHBondContact O-N 2.86Å; A582-D584 VanDerWaalsContact O-N 3.17Å; D584-R586 PolarHBondContact O-N 3.09Å
585F94.4Very high91.8Very high1 Ų148.2 Ų48.20%0.00424%0.236CC..  trans-74.593.5178.3-68.1-106.1000109.8L350 E390 M393 V549 Y552 V553 L556 P580 F581 A582 I588L350-F585 HydrophobicContact CD2-CE2 4.27Å; L350-F585 HydrophobicContact CD2-CZ 4.34Å; E390-F585 WeakPolarHBondContact CG-O 3.29Å; M393-F585 HydrophobicContact CB-CB 3.57Å; M393-F585 HydrophobicContact CB-CD2 4.26Å; M393-F585 HydrophobicContact CB-CG 3.92Å; M393-F585 HydrophobicContact CG-CB 4.01Å; M393-F585 HydrophobicContact CG-CD1 4.06Å; M393-F585 HydrophobicContact CG-CD2 4.24Å; M393-F585 HydrophobicContact CG-CG 3.86Å; M393-F585 HydrophobicContact SD-CD2 4.36Å; M393-F585 HydrophobicContact SD-CE2 4.42Å; V549-F585 HydrophobicContact CG1-CD1 3.96Å; V549-F585 HydrophobicContact CG1-CE1 4.35Å; V549-F585 HydrophobicContact CG1-CG 4.19Å; Y552-F585 HydrophobicContact CD1-CE1 4.04Å; Y552-F585 AromaticContact CD1-CZ 3.62Å; Y552-F585 HydrophobicContact CD1-CZ 3.62Å; Y552-F585 HydrophobicContact CE1-CZ 4.17Å; Y552-F585 HydrophobicContact CG-CZ 4.2Å; V553-F585 HydrophobicContact CG2-CD1 3.8Å; V553-F585 HydrophobicContact CG2-CE1 3.72Å; L556-F585 HydrophobicContact CD1-CE1 4.37Å; P580-F585 HydrophobicContact CG-CE2 3.8Å; P580-F585 HydrophobicContact CG-CZ 3.9Å; F581-F585 VanDerWaalsContact O-CD2 3.31Å; F581-F585 WeakPolarHBondContact O-CD2 3.41Å; F581-F585 WeakPolarHBondContact O-CE2 3.38Å; A582-F585 WeakPolarHBondContact O-CD2 3.45Å; A582-F585 PolarHBondContact O-N 3.01Å; F585-I588 HydrophobicContact CB-CG2 4.11Å; F585-I588 HydrophobicContact CD1-CD1 4.19Å; F585-I588 HydrophobicContact CD1-CG2 4.36Å
586R91.9Very high91.5Very high148 Ų14851.2 Ų51.256%0.55825%0.246SC*.  trans-138.2143.5179.2-56.3-177.5-171.4-153.1-2.8110E390 S583 D584 I588 M591E390-R586 VanDerWaalsContact OE1-CA 3.31Å; E390-R586 WeakPolarHBondContact OE1-CA 3.27Å; S583-R586 PolarHBondContact O-NE 3.36Å; D584-R586 PolarHBondContact O-N 3.09Å; R586-I588 PolarHBondContact O-N 2.9Å; R586-M591 WeakPolarHBondContact O-CE 3.45Å
587D92.1Very high91Very high113 Ų11355.2 Ų55.260%0.60426%0.263SS*.SBendtrans57.227.6-178-49.6-61.8000113.4E390 Q589E390-D587 VanDerWaalsContact CD-N 3.25Å; E390-D587 PolarHBondContact OE1-N 3.13Å; E390-D587 WeakPolarHBondContact OE2-CA 3.46Å; E390-D587 PolarHBondContact OE2-N 3.23Å; E390-D587 VanDerWaalsContact OE2-N 3.11Å; D587-Q589 VanDerWaalsContact C-N 3.29Å; D587-Q589 PolarHBondContact O-N 3.11Å
588I93.8Very high90.6Very high0 Ų059.1 Ų59.10%029%0.286CS..G310 helixtrans-75.7-17.7-169.773.5173.4000113L386 V389 E390 V549 V553 F585 R586 K590 M591L386-I588 HydrophobicContact CB-CG1 4.32Å; L386-I588 WeakPolarHBondContact CD1-O 3.47Å; V389-I588 HydrophobicContact CB-CD1 4.41Å; V389-I588 HydrophobicContact CG1-CD1 4.19Å; E390-I588 HydrophobicContact CB-CD1 3.99Å; E390-I588 HydrophobicContact CB-CG1 3.81Å; E390-I588 HydrophobicContact CG-CD1 4.24Å; E390-I588 HydrophobicContact CG-CG1 3.9Å; E390-I588 PolarHBondContact OE2-N 3.29Å; V549-I588 HydrophobicContact CG1-CG2 3.85Å; V553-I588 HydrophobicContact CG2-CB 4.24Å; V553-I588 HydrophobicContact CG2-CD1 4.19Å; V553-I588 HydrophobicContact CG2-CG2 4.3Å; F585-I588 HydrophobicContact CB-CG2 4.11Å; F585-I588 HydrophobicContact CD1-CD1 4.19Å; F585-I588 HydrophobicContact CD1-CG2 4.36Å; R586-I588 PolarHBondContact O-N 2.9Å; I588-K590 PolarHBondContact O-N 3.49Å; I588-M591 HydrophobicContact CB-SD 4.2Å; I588-M591 HydrophobicContact CG2-CE 4.03Å; I588-M591 HydrophobicContact CG2-SD 3.94Å; I588-M591 PolarHBondContact O-N 2.91Å
589Q88.8Confident90.5Very high93 Ų9359.2 Ų59.244%0.43529%0.289SS..G310 helixtrans-47-31.9179.3-171-162.856.800113.6E387 D587E387-Q589 HydrophobicContact CB-CG 4.23Å; E387-Q589 PolarHBondContact OE2-NE2 3.39Å; D587-Q589 VanDerWaalsContact C-N 3.29Å; D587-Q589 PolarHBondContact O-N 3.11Å
590K87.2Confident90.5Very high177 Ų17766.7 Ų66.777%0.7732%0.321SS*.G310 helixtrans-114.813.5-175.5-59.7175.9-173.9170.70113.7I588I588-K590 PolarHBondContact O-N 3.49Å
591M86.8Confident90.4Very high23 Ų2367.8 Ų67.811%0.11333%0.328CS..SBendtrans-81.9-22.2-176.8-74.9-170-169.100114.3K546 V549 R550 R586 I588K546-M591 HydrophobicContact CG-CE 4.35Å; V549-M591 HydrophobicContact CG1-CE 4.36Å; V549-M591 HydrophobicContact CG1-SD 3.92Å; R550-M591 HydrophobicContact CB-CB 4.42Å; R550-M591 HydrophobicContact CB-SD 4.15Å; R550-M591 HydrophobicContact CG-CB 4.23Å; R550-M591 WeakPolarHBondContact CG-O 3.45Å; R586-M591 WeakPolarHBondContact O-CE 3.45Å; I588-M591 HydrophobicContact CB-SD 4.2Å; I588-M591 HydrophobicContact CG2-CE 4.03Å; I588-M591 HydrophobicContact CG2-SD 3.94Å; I588-M591 PolarHBondContact O-N 2.91Å
592F88Confident90.4Very high33 Ų3367.9 Ų67.915%0.14533%0.328CS..  trans-137.3153.9-179.9171.7-107.6000110.8L386 E554 C557 E594 F595L386-F592 HydrophobicContact CD1-CB 4.25Å; E554-F592 HydrophobicContact CG-CB 4.41Å; E554-F592 HydrophobicContact CG-CD2 3.89Å; E554-F592 HydrophobicContact CG-CG 4.44Å; C557-F592 HydrophobicContact CB-CD1 3.89Å; C557-F592 HydrophobicContact CB-CE1 3.69Å; C557-F592 HydrophobicContact CB-CZ 4.35Å; F592-E594 VanDerWaalsContact CE2-C 3.47Å; F592-E594 WeakPolarHBondContact CE2-O 3.31Å; F592-F595 HydrophobicContact CE1-CE2 4.19Å; F592-F595 HydrophobicContact CE1-CZ 4.33Å; F592-F595 AromaticContact CE2-CD1 3.89Å; F592-F595 HydrophobicContact CE2-CD1 3.89Å; F592-F595 HydrophobicContact CE2-CD2 4.13Å; F592-F595 AromaticContact CE2-CE1 3.69Å; F592-F595 HydrophobicContact CE2-CE1 3.69Å; F592-F595 AromaticContact CE2-CE2 3.95Å; F592-F595 HydrophobicContact CE2-CE2 3.95Å; F592-F595 HydrophobicContact CE2-CG 4.09Å; F592-F595 AromaticContact CE2-CZ 3.7Å; F592-F595 HydrophobicContact CE2-CZ 3.7Å; F592-F595 HydrophobicContact CZ-CD1 4.25Å; F592-F595 AromaticContact CZ-CD2 3.66Å; F592-F595 HydrophobicContact CZ-CD2 3.66Å; F592-F595 AromaticContact CZ-CE1 4Å; F592-F595 HydrophobicContact CZ-CE1 4Å; F592-F595 AromaticContact CZ-CE2 3.37Å; F592-F595 HydrophobicContact CZ-CE2 3.37Å; F592-F595 HydrophobicContact CZ-CG 4.08Å; F592-F595 AromaticContact CZ-CZ 3.53Å; F592-F595 HydrophobicContact CZ-CZ 3.53Å
593S78.3Confident90.5Very high98 Ų9872 Ų7269%0.68535%0.346SS*.  trans-135.6-72.8176.150.50000111.3
594E87.3Confident90.6Very high126 Ų12671 Ų7159%0.58934%0.339SS*.  trans-138.6162.3178.7-65.4-166.4177.200111.7F592F592-E594 VanDerWaalsContact CE2-C 3.47Å; F592-E594 WeakPolarHBondContact CE2-O 3.31Å
595F91.4Very high90.7Very high25 Ų2570.6 Ų70.611%0.1134%0.337CS..PPolyproline II helixtrans-90.8164.6173.1-65.2-71.6000111.2E554 C557 W558 A568 W572 F592 K597E554-F595 WeakPolarHBondContact O-CZ 3.17Å; C557-F595 HydrophobicContact CB-CE2 4.42Å; C557-F595 HydrophobicContact CB-CZ 4.16Å; W558-F595 HydrophobicContact CB-CE1 4.03Å; W558-F595 HydrophobicContact CB-CE2 4.26Å; W558-F595 HydrophobicContact CB-CZ 3.57Å; W558-F595 HydrophobicContact CG-CZ 4.3Å; A568-F595 HydrophobicContact CB-CD2 3.76Å; A568-F595 HydrophobicContact CB-CE2 4.1Å; W572-F595 AromaticContact CD1-CE1 4Å; W572-F595 HydrophobicContact CG-CD1 4.36Å; W572-F595 HydrophobicContact CG-CE1 4.17Å; F592-F595 HydrophobicContact CE1-CE2 4.19Å; F592-F595 HydrophobicContact CE1-CZ 4.33Å; F592-F595 AromaticContact CE2-CD1 3.89Å; F592-F595 HydrophobicContact CE2-CD1 3.89Å; F592-F595 HydrophobicContact CE2-CD2 4.13Å; F592-F595 AromaticContact CE2-CE1 3.69Å; F592-F595 HydrophobicContact CE2-CE1 3.69Å; F592-F595 AromaticContact CE2-CE2 3.95Å; F592-F595 HydrophobicContact CE2-CE2 3.95Å; F592-F595 HydrophobicContact CE2-CG 4.09Å; F592-F595 AromaticContact CE2-CZ 3.7Å; F592-F595 HydrophobicContact CE2-CZ 3.7Å; F592-F595 HydrophobicContact CZ-CD1 4.25Å; F592-F595 AromaticContact CZ-CD2 3.66Å; F592-F595 HydrophobicContact CZ-CD2 3.66Å; F592-F595 AromaticContact CZ-CE1 4Å; F592-F595 HydrophobicContact CZ-CE1 4Å; F592-F595 AromaticContact CZ-CE2 3.37Å; F592-F595 HydrophobicContact CZ-CE2 3.37Å; F592-F595 HydrophobicContact CZ-CG 4.08Å; F592-F595 AromaticContact CZ-CZ 3.53Å; F592-F595 HydrophobicContact CZ-CZ 3.53Å; F595-K597 PolarHBondContact O-N 2.8Å
596E89.6Confident90.8Very high108 Ų10871 Ų7151%0.50534%0.339SS..PPolyproline II helixtrans-59.8119.5168.1-167.4-167.715700110.1K571 T599K571-E596 WeakPolarHBondContact CD-OE2 3.47Å; K571-E596 VanDerWaalsContact NZ-CD 3.33Å; K571-E596 IonicContact NZ-OE1 2.8Å; K571-E596 PolarHBondContact NZ-OE1 2.95Å; K571-E596 IonicContact NZ-OE2 2.75Å; K571-E596 PolarHBondContact NZ-OE2 2.94Å; E596-T599 HydrophobicContact CB-CG2 3.81Å; E596-T599 HydrophobicContact CG-CG2 3.81Å; E596-T599 WeakPolarHBondContact O-CG2 3.5Å
597K85.6Confident91Very high111 Ų11164 Ų6448%0.48331%0.313SS..THydrogen-bonded Turntrans-72.7165.1174-63.3-172.9176.8-169.20111.2F595 T599 E772F595-K597 PolarHBondContact O-N 2.8Å; K597-T599 PolarHBondContact O-N 2.86Å; K597-E772 WeakPolarHBondContact CD-OE1 3.4Å; K597-E772 WeakPolarHBondContact CE-OE1 3.41Å; K597-E772 IonicContact NZ-OE1 3.27Å; K597-E772 PolarHBondContact NZ-OE1 2.9Å
598D84.4Confident91.2Very high139 Ų13958.6 Ų58.674%0.74328%0.284SS*.THydrogen-bonded Turntrans55.116.4174.8-51.1-47.9000116
599T92.5Very high91.4Very high18 Ų1858.6 Ų58.611%0.1128%0.284CS..  trans-61.7142.7169.758.30000110.1S569 W570 K571 E596 K597S569-T599 WeakPolarHBondContact CA-OG1 3.42Å; W570-T599 PolarHBondContact N-OG1 2.78Å; K571-T599 HydrophobicContact CB-CG2 4.3Å; K571-T599 HydrophobicContact CD-CG2 3.8Å; K571-T599 HydrophobicContact CG-CG2 3.92Å; E596-T599 HydrophobicContact CB-CG2 3.81Å; E596-T599 HydrophobicContact CG-CG2 3.81Å; E596-T599 WeakPolarHBondContact O-CG2 3.5Å; K597-T599 PolarHBondContact O-N 2.86Å
600K93.1Very high91.7Very high157 Ų15754.2 Ų54.268%0.68326%0.264SS*.  trans-117.4151.5-175.9-60-172.8-179.7-175.30109.8W570W570-K600 VanDerWaalsContact CB-C 3.48Å; W570-K600 VanDerWaalsContact CB-O 3.25Å; W570-K600 WeakPolarHBondContact CB-O 3.21Å
601P94.9Very high92.1Very high23 Ų2345.9 Ų45.915%0.14923%0.227CC..PPolyproline II helixtrans-56.6158.3166.826.5-35.4000110.6V105 P201 W570 L689V105-P601 HydrophobicContact CB-CB 4.4Å; V105-P601 HydrophobicContact CG1-CB 4.06Å; P201-P601 HydrophobicContact CB-CB 3.9Å; P201-P601 HydrophobicContact CB-CG 3.82Å; P201-P601 HydrophobicContact CG-CG 4Å; W570-P601 HydrophobicContact CD2-CB 4.02Å; W570-P601 HydrophobicContact CE3-CB 3.71Å; W570-P601 HydrophobicContact CZ3-CB 3.99Å; P601-L689 HydrophobicContact CG-CD1 4.01Å
602F94.9Very high92.5Very high3 Ų344.8 Ų44.81%0.01322%0.222CC..PPolyproline II helixtrans-63.4162.5163-81.8-123.8000109.3V105 M111 E606 E665 L668V105-F602 HydrophobicContact CG1-CB 3.98Å; V105-F602 WeakPolarHBondContact CG1-O 3.36Å; M111-F602 HydrophobicContact CE-CD1 4.06Å; M111-F602 HydrophobicContact CE-CE1 4.26Å; M111-F602 HydrophobicContact CE-CG 4.2Å; M111-F602 HydrophobicContact SD-CD2 4.15Å; M111-F602 HydrophobicContact SD-CE2 4.46Å; M111-F602 HydrophobicContact SD-CG 4.31Å; F602-E606 HydrophobicContact CB-CB 4.21Å; F602-E606 HydrophobicContact CD1-CB 3.76Å; F602-E606 HydrophobicContact CG-CB 4.46Å; F602-E665 HydrophobicContact CE1-CG 4.37Å; F602-E665 HydrophobicContact CE2-CG 4.23Å; F602-E665 HydrophobicContact CZ-CB 4.01Å; F602-E665 HydrophobicContact CZ-CG 3.6Å; F602-L668 HydrophobicContact CE1-CD2 4.27Å
603K96.1Very high92.8Very high85 Ų8543.6 Ų43.637%0.3722%0.218SC..PPolyproline II helixtrans-77.9158.1163.7-52.4-163.7-153.3156.80110.7L605 E606 Q607 Y676 N687K603-L605 PolarHBondContact O-N 3.2Å; K603-E606 HydrophobicContact CB-CG 4.04Å; K603-E606 PolarHBondContact N-OE2 2.88Å; K603-E606 WeakPolarHBondContact O-CB 3.26Å; K603-E606 PolarHBondContact O-N 2.76Å; K603-Q607 PolarHBondContact O-N 2.78Å; K603-Y676 VanDerWaalsContact CD-OH 3.3Å; K603-Y676 WeakPolarHBondContact CD-OH 3.37Å; K603-Y676 WeakPolarHBondContact CE-OH 3.27Å; K603-Y676 PolarHBondContact NZ-OH 2.89Å; K603-N687 WeakPolarHBondContact CB-OD1 3.34Å; K603-N687 VanDerWaalsContact CD-O 3.28Å; K603-N687 WeakPolarHBondContact CD-O 3.27Å
604P96.9Very high93.6Very high1 Ų140 Ų401%0.00619%0.193CC..Hα-helixtrans-51.1-49.5-176.7-30.336.6000114.9V105 P162 E606 Q607 L608 R686V105-P604 HydrophobicContact CG2-CB 4.32Å; V105-P604 HydrophobicContact CG2-CG 4.02Å; P162-P604 HydrophobicContact CB-CB 4.39Å; P604-E606 VanDerWaalsContact C-N 3.34Å; P604-E606 PolarHBondContact O-N 3.18Å; P604-Q607 WeakPolarHBondContact O-CB 3.46Å; P604-Q607 PolarHBondContact O-N 2.87Å; P604-Q607 VanDerWaalsContact O-N 3.15Å; P604-L608 PolarHBondContact O-N 2.83Å; P604-R686 WeakPolarHBondContact CB-O 3.42Å; P604-R686 WeakPolarHBondContact CG-O 3.37Å
605L96.9Very high93.7Very high0 Ų037.1 Ų37.10%019%0.191CC..Hα-helixtrans-69.4-31.2179.3-55.2-177.8000112.4K603 Q607 L608 M609 P621 W624 L679 E683 N687K603-L605 PolarHBondContact O-N 3.2Å; L605-Q607 VanDerWaalsContact C-N 3.31Å; L605-L608 HydrophobicContact CD2-CD1 3.79Å; L605-L608 PolarHBondContact O-N 3.38Å; L605-M609 WeakPolarHBondContact O-CG 3.27Å; L605-M609 PolarHBondContact O-N 2.79Å; L605-M609 VanDerWaalsContact O-N 3.11Å; L605-P621 HydrophobicContact CD1-CG 3.94Å; L605-W624 HydrophobicContact CB-CE3 3.97Å; L605-W624 HydrophobicContact CB-CH2 4Å; L605-W624 HydrophobicContact CB-CZ3 3.45Å; L605-W624 VanDerWaalsContact CB-CZ3 3.45Å; L605-L679 HydrophobicContact CD1-CD1 4.32Å; L605-L679 HydrophobicContact CD1-CD2 4.05Å; L605-E683 HydrophobicContact CD1-CB 4.35Å; L605-N687 HydrophobicContact CB-CB 4.49Å; L605-N687 WeakPolarHBondContact CB-OD1 3.33Å; L605-N687 HydrophobicContact CD1-CB 3.75Å; L605-N687 HydrophobicContact CG-CB 3.78Å; L605-N687 PolarHBondContact N-OD1 2.96Å
606E96.4Very high93.7Very high11 Ų1136 Ų365%0.05119%0.186CC..Hα-helixtrans-66-35.2173.1-56.3179174.300111.2F602 K603 P604 G610 W624 R669 L672 Y676F602-E606 HydrophobicContact CB-CB 4.21Å; F602-E606 HydrophobicContact CD1-CB 3.76Å; F602-E606 HydrophobicContact CG-CB 4.46Å; K603-E606 HydrophobicContact CB-CG 4.04Å; K603-E606 PolarHBondContact N-OE2 2.88Å; K603-E606 WeakPolarHBondContact O-CB 3.26Å; K603-E606 PolarHBondContact O-N 2.76Å; P604-E606 VanDerWaalsContact C-N 3.34Å; P604-E606 PolarHBondContact O-N 3.18Å; E606-G610 PolarHBondContact O-N 3.23Å; E606-G610 VanDerWaalsContact O-N 3.07Å; E606-W624 HydrophobicContact CG-CH2 4.43Å; E606-R669 IonicContact OE2-CZ 2.71Å; E606-R669 IonicContact OE2-NE 2.69Å; E606-R669 PolarHBondContact OE2-NE 2.85Å; E606-R669 IonicContact OE2-NH2 2.95Å; E606-L672 HydrophobicContact CB-CD1 4.42Å; E606-L672 HydrophobicContact CG-CD1 4.09Å; E606-Y676 PolarHBondContact OE1-OH 2.93Å
607Q96.6Very high93.7Very high0 Ų030.8 Ų30.80%016%0.162CC..Hα-helixtrans-65.8-45.3171.2175.6174.6-98.500111.2V105 M111 K603 P604 L605 M609 G610 V611V105-Q607 HydrophobicContact CG1-CB 4.19Å; V105-Q607 HydrophobicContact CG2-CB 4.39Å; M111-Q607 HydrophobicContact CE-CB 4.33Å; M111-Q607 HydrophobicContact CE-CG 4.16Å; M111-Q607 HydrophobicContact CG-CG 4.46Å; K603-Q607 PolarHBondContact O-N 2.78Å; P604-Q607 WeakPolarHBondContact O-CB 3.46Å; P604-Q607 PolarHBondContact O-N 2.87Å; P604-Q607 VanDerWaalsContact O-N 3.15Å; L605-Q607 VanDerWaalsContact C-N 3.31Å; Q607-M609 VanDerWaalsContact C-N 3.34Å; Q607-M609 PolarHBondContact O-N 3.43Å; Q607-G610 CarbonylContact O-C 3.34Å; Q607-G610 VanDerWaalsContact O-CA 3.27Å; Q607-G610 WeakPolarHBondContact O-CA 3.22Å; Q607-G610 PolarHBondContact O-N 2.86Å; Q607-V611 HydrophobicContact CG-CG1 4.1Å; Q607-V611 HydrophobicContact CG-CG2 4.41Å; Q607-V611 WeakPolarHBondContact O-CG2 3.49Å; Q607-V611 PolarHBondContact O-N 2.9Å
608L96.8Very high94Very high0 Ų030.8 Ų30.80%017%0.167CC..Hα-helixtrans-54.4-50.1178.3-66.1-178.7000111.3T161 P162 T164 P604 L605 G610 V611 F612 L620T161-L608 HydrophobicContact CG2-CD2 3.56Å; P162-L608 VanDerWaalsContact O-CD2 3.23Å; P162-L608 WeakPolarHBondContact O-CD2 3.33Å; P162-L608 WeakPolarHBondContact O-CG 3.48Å; T164-L608 HydrophobicContact CG2-CD1 4.08Å; T164-L608 HydrophobicContact CG2-CD2 3.97Å; P604-L608 PolarHBondContact O-N 2.83Å; L605-L608 HydrophobicContact CD2-CD1 3.79Å; L605-L608 PolarHBondContact O-N 3.38Å; L608-G610 PolarHBondContact O-N 3.1Å; L608-V611 PolarHBondContact O-N 3.35Å; L608-V611 VanDerWaalsContact O-N 3.1Å; L608-F612 HydrophobicContact CB-CD2 4.39Å; L608-F612 HydrophobicContact CB-CE2 4.42Å; L608-F612 HydrophobicContact CD2-CD2 4.35Å; L608-F612 HydrophobicContact CD2-CE1 4.13Å; L608-F612 HydrophobicContact CD2-CE2 3.66Å; L608-F612 HydrophobicContact CD2-CZ 3.54Å; L608-F612 HydrophobicContact CG-CE2 4.45Å; L608-F612 WeakPolarHBondContact O-CB 3.39Å; L608-F612 PolarHBondContact O-N 3.2Å; L608-L620 HydrophobicContact CB-CD1 4.49Å; L608-L620 HydrophobicContact CB-CD2 3.81Å; L608-L620 HydrophobicContact CB-CG 4.26Å; L608-L620 HydrophobicContact CD1-CD2 4.18Å; L608-L620 HydrophobicContact CD1-CG 4.5Å
609M96.6Very high94.4Very high0 Ų027 Ų270%014%0.144CC..Hα-helixtrans-58.4-34.6172.7-67.5-66.5-69.200112.6L605 Q607 L620 W624 L627 M628 I635 Y639 L668 L672L605-M609 WeakPolarHBondContact O-CG 3.27Å; L605-M609 PolarHBondContact O-N 2.79Å; L605-M609 VanDerWaalsContact O-N 3.11Å; Q607-M609 VanDerWaalsContact C-N 3.34Å; Q607-M609 PolarHBondContact O-N 3.43Å; M609-L620 HydrophobicContact CG-CD1 4.45Å; M609-L620 HydrophobicContact CG-CD2 3.99Å; M609-L620 HydrophobicContact SD-CD1 3.63Å; M609-L620 HydrophobicContact SD-CD2 3.94Å; M609-L620 HydrophobicContact SD-CG 4.39Å; M609-W624 HydrophobicContact CG-CE3 3.72Å; M609-W624 HydrophobicContact CG-CZ3 4.18Å; M609-W624 HydrophobicContact SD-CB 4.26Å; M609-W624 HydrophobicContact SD-CE3 4.43Å; M609-L627 HydrophobicContact CE-CB 3.97Å; M609-L627 HydrophobicContact CE-CD1 4.33Å; M609-M628 HydrophobicContact CE-CG 3.88Å; M609-M628 HydrophobicContact SD-CG 4Å; M609-M628 HydrophobicContact SD-SD 4.08Å; M609-I635 HydrophobicContact CE-CD1 4.11Å; M609-Y639 WeakPolarHBondContact O-CE1 3.42Å; M609-Y639 PolarHBondContact O-OH 3.45Å; M609-L668 HydrophobicContact CB-CD1 3.95Å; M609-L668 HydrophobicContact CB-CD2 4.41Å; M609-L672 HydrophobicContact CE-CD2 4.26Å; M609-L672 HydrophobicContact CG-CD2 4.21Å
610G95.5Very high94.5Very high1 Ų126.7 Ų26.71%0.0114%0.142CC..Hα-helixtrans-77.6-9.5176.900000116.1R115 E606 Q607 L608R115-G610 VanDerWaalsContact CD-O 3.23Å; R115-G610 WeakPolarHBondContact CD-O 3.49Å; E606-G610 PolarHBondContact O-N 3.23Å; E606-G610 VanDerWaalsContact O-N 3.07Å; Q607-G610 CarbonylContact O-C 3.34Å; Q607-G610 VanDerWaalsContact O-CA 3.27Å; Q607-G610 WeakPolarHBondContact O-CA 3.22Å; Q607-G610 PolarHBondContact O-N 2.86Å; L608-G610 PolarHBondContact O-N 3.1Å
611V95.9Very high94.6Very high1 Ų119.4 Ų19.41%0.00611%0.111CC..Hα-helixtrans-130.9-20.7-176.5-53.40000116.5M111 Q114 R115 T161 Q607 L608M111-V611 HydrophobicContact CB-CG1 3.98Å; M111-V611 HydrophobicContact CE-CG1 4.4Å; M111-V611 HydrophobicContact CG-CG1 4.35Å; Q114-V611 HydrophobicContact CB-CG1 4.38Å; R115-V611 WeakPolarHBondContact CA-O 3.37Å; R115-V611 HydrophobicContact CB-CB 4.27Å; T161-V611 HydrophobicContact CG2-CG2 4.09Å; Q607-V611 HydrophobicContact CG-CG1 4.1Å; Q607-V611 HydrophobicContact CG-CG2 4.41Å; Q607-V611 WeakPolarHBondContact O-CG2 3.49Å; Q607-V611 PolarHBondContact O-N 2.9Å; L608-V611 PolarHBondContact O-N 3.35Å; L608-V611 VanDerWaalsContact O-N 3.1Å
612F95.8Very high94.6Very high0 Ų022.8 Ų22.80%013%0.133CC..  trans-86.4146.4-177.2-76.8-5.9000114.5R118 F119 N158 T161 T164 L608 F619 L620 M628R118-F612 HydrophobicContact CG-CD1 4.48Å; F119-F612 VanDerWaalsContact CE2-C 3.47Å; F119-F612 VanDerWaalsContact CE2-O 3.31Å; F119-F612 WeakPolarHBondContact CE2-O 3.18Å; N158-F612 HydrophobicContact CB-CD1 4.47Å; N158-F612 HydrophobicContact CB-CE1 3.94Å; N158-F612 HydrophobicContact CB-CZ 4.25Å; N158-F612 WeakPolarHBondContact O-CE1 3.28Å; N158-F612 WeakPolarHBondContact O-CZ 3.11Å; T161-F612 HydrophobicContact CG2-CE1 4.14Å; T161-F612 HydrophobicContact CG2-CZ 4.43Å; T161-F612 WeakPolarHBondContact OG1-CE1 3.34Å; T164-F612 HydrophobicContact CG2-CZ 4.33Å; L608-F612 HydrophobicContact CB-CD2 4.39Å; L608-F612 HydrophobicContact CB-CE2 4.42Å; L608-F612 HydrophobicContact CD2-CD2 4.35Å; L608-F612 HydrophobicContact CD2-CE1 4.13Å; L608-F612 HydrophobicContact CD2-CE2 3.66Å; L608-F612 HydrophobicContact CD2-CZ 3.54Å; L608-F612 HydrophobicContact CG-CE2 4.45Å; L608-F612 WeakPolarHBondContact O-CB 3.39Å; L608-F612 PolarHBondContact O-N 3.2Å; F612-F619 HydrophobicContact CE2-CB 4.01Å; F612-F619 AromaticContact CE2-CD2 3.92Å; F612-F619 HydrophobicContact CE2-CD2 3.92Å; F612-F619 HydrophobicContact CE2-CG 4.42Å; F612-F619 HydrophobicContact CZ-CD2 4.36Å; F612-L620 HydrophobicContact CD2-CD1 4.42Å; F612-M628 HydrophobicContact CB-CE 3.99Å; F612-M628 VanDerWaalsContact O-CE 3.3Å; F612-M628 WeakPolarHBondContact O-CE 3.45Å
613P94.6Very high94.6Very high9 Ų924.8 Ų24.86%0.05815%0.146CC..  trans-74.7156.515933.5-32.8000110.3F119 A615 S616F119-P613 HydrophobicContact CD1-CB 3.97Å; F119-P613 HydrophobicContact CD2-CB 3.98Å; F119-P613 HydrophobicContact CD2-CG 4.45Å; F119-P613 HydrophobicContact CE1-CB 3.99Å; F119-P613 HydrophobicContact CE2-CB 4.01Å; F119-P613 HydrophobicContact CG-CB 3.98Å; F119-P613 HydrophobicContact CZ-CB 4.02Å; P613-A615 PolarHBondContact O-N 3.23Å; P613-A615 VanDerWaalsContact O-N 3.08Å; P613-S616 PolarHBondContact O-N 2.8Å
614A93.3Very high94.5Very high21 Ų2120.8 Ų20.817%0.17413%0.128CC..G310 helixtrans-55-30.418000000113.6S616 G617 M628A614-S616 VanDerWaalsContact C-N 3.29Å; A614-S616 PolarHBondContact O-N 2.93Å; A614-G617 PolarHBondContact O-N 3.41Å; A614-M628 HydrophobicContact CB-CB 4.14Å; A614-M628 WeakPolarHBondContact CB-O 3.27Å
615A90.2Very high94.4Very high66 Ų6624.3 Ų24.355%0.54514%0.141SC..G310 helixtrans-58.7-32.817600000114.3S122 P613 G617S122-A615 WeakPolarHBondContact OG-CB 3.3Å; P613-A615 PolarHBondContact O-N 3.23Å; P613-A615 VanDerWaalsContact O-N 3.08Å; A615-G617 VanDerWaalsContact C-N 3.31Å
616S91.7Very high94.4Very high1 Ų128.4 Ų28.41%0.00716%0.163CC..G310 helixtrans-92.313.5175.3-600000112.8D156 N158 P613 A614 N618 F619D156-S616 PolarHBondContact OD2-OG 3.37Å; N158-S616 PolarHBondContact ND2-OG 3.18Å; P613-S616 PolarHBondContact O-N 2.8Å; A614-S616 VanDerWaalsContact C-N 3.29Å; A614-S616 PolarHBondContact O-N 2.93Å; S616-N618 PolarHBondContact O-N 3.35Å; S616-F619 WeakPolarHBondContact O-CD2 3.48Å; S616-F619 PolarHBondContact O-N 2.77Å
617G89Confident94.4Very high0 Ų029.1 Ų29.10%017%0.167CC..G310 helixtrans-64.6-1.817700000115.2A614 A615 F619 R625A614-G617 PolarHBondContact O-N 3.41Å; A615-G617 VanDerWaalsContact C-N 3.31Å; G617-F619 PolarHBondContact O-N 3.08Å; G617-R625 VanDerWaalsContact O-CD 3.31Å; G617-R625 WeakPolarHBondContact O-CD 3.08Å; G617-R625 VanDerWaalsContact O-CG 3.27Å; G617-R625 WeakPolarHBondContact O-CG 3.31Å
618N91.4Very high94.3Very high110 Ų11029.2 Ų29.259%0.58817%0.168SC*.G310 helixtrans-64.5-24.4171.2-69.2-26.5000113.1S616 L620 R625S616-N618 PolarHBondContact O-N 3.35Å; N618-L620 VanDerWaalsContact C-N 3.32Å; N618-R625 PolarHBondContact OD1-NH1 2.88Å; N618-R625 PolarHBondContact OD1-NH2 3.2Å
619F92.8Very high94.2Very high59 Ų5933.5 Ų33.526%0.25919%0.189SC..G310 helixtrans-92.515.7-177.6-53.4-63.7000114D156 C159 T164 F612 S616 G617D156-F619 HydrophobicContact CB-CE2 4.14Å; D156-F619 HydrophobicContact CB-CZ 4.07Å; C159-F619 HydrophobicContact CB-CD1 4.25Å; C159-F619 HydrophobicContact CB-CE1 3.71Å; C159-F619 HydrophobicContact CB-CE2 4.07Å; C159-F619 HydrophobicContact CB-CZ 3.61Å; T164-F619 HydrophobicContact CG2-CB 3.98Å; T164-F619 HydrophobicContact CG2-CG 4.4Å; F612-F619 HydrophobicContact CE2-CB 4.01Å; F612-F619 AromaticContact CE2-CD2 3.92Å; F612-F619 HydrophobicContact CE2-CD2 3.92Å; F612-F619 HydrophobicContact CE2-CG 4.42Å; F612-F619 HydrophobicContact CZ-CD2 4.36Å; S616-F619 WeakPolarHBondContact O-CD2 3.48Å; S616-F619 PolarHBondContact O-N 2.77Å; G617-F619 PolarHBondContact O-N 3.08Å
620L94.6Very high94Very high13 Ų1335.8 Ų35.87%0.06821%0.205CC..SBendtrans-122.8152.5-176.5-85.2159000110L608 M609 F612 N618 W624 M628L608-L620 HydrophobicContact CB-CD1 4.49Å; L608-L620 HydrophobicContact CB-CD2 3.81Å; L608-L620 HydrophobicContact CB-CG 4.26Å; L608-L620 HydrophobicContact CD1-CD2 4.18Å; L608-L620 HydrophobicContact CD1-CG 4.5Å; M609-L620 HydrophobicContact CG-CD1 4.45Å; M609-L620 HydrophobicContact CG-CD2 3.99Å; M609-L620 HydrophobicContact SD-CD1 3.63Å; M609-L620 HydrophobicContact SD-CD2 3.94Å; M609-L620 HydrophobicContact SD-CG 4.39Å; F612-L620 HydrophobicContact CD2-CD1 4.42Å; N618-L620 VanDerWaalsContact C-N 3.32Å; L620-W624 HydrophobicContact CD2-CE3 4.29Å; L620-M628 HydrophobicContact CD1-CE 4.38Å; L620-M628 HydrophobicContact CD1-SD 3.44Å; L620-M628 WeakPolarHBondContact CD1-SD 3.36Å
621P95.6Very high93.9Very high4 Ų440 Ų403%0.02624%0.24CC..  trans-49.4139.2173.3-24.530000111.2L605 T623 W624 R625 L679 E683L605-P621 HydrophobicContact CD1-CG 3.94Å; P621-T623 PolarHBondContact O-N 2.92Å; P621-T623 VanDerWaalsContact O-N 3.1Å; P621-W624 HydrophobicContact CB-CB 4.06Å; P621-W624 HydrophobicContact CB-CG 3.93Å; P621-W624 HydrophobicContact CG-CB 4.22Å; P621-W624 HydrophobicContact CG-CD2 4.2Å; P621-W624 HydrophobicContact CG-CG 3.91Å; P621-W624 WeakPolarHBondContact O-CA 3.42Å; P621-W624 WeakPolarHBondContact O-CB 3.47Å; P621-W624 PolarHBondContact O-N 3.38Å; P621-R625 PolarHBondContact O-N 3.37Å; P621-L679 HydrophobicContact CB-CD2 3.92Å; P621-L679 HydrophobicContact CG-CD2 3.45Å; P621-L679 VanDerWaalsContact CG-CD2 3.45Å; P621-E683 VanDerWaalsContact CA-OE1 3.27Å; P621-E683 WeakPolarHBondContact CA-OE1 3.28Å; P621-E683 WeakPolarHBondContact CB-OE1 3.16Å; P621-E683 HydrophobicContact CG-CG 4.41Å; P621-E683 VanDerWaalsContact CG-OE1 3.29Å; P621-E683 WeakPolarHBondContact CG-OE1 3.39Å
622P94.4Very high93.8Very high94 Ų9447.4 Ų47.461%0.6128%0.279SS*.Hα-helixtrans-55.1-34.8-174.8-29.335.9000114.4N626P622-N626 VanDerWaalsContact O-CG 3.25Å; P622-N626 PolarHBondContact O-N 3.11Å; P622-N626 PolarHBondContact O-ND2 3.45Å; P622-N626 PolarHBondContact O-OD1 3.32Å
623T94.7Very high93.7Very high45 Ų4548 Ų4828%0.27628%0.283SS..Hα-helixtrans-73.8-34.8176.957.50000112.6P621 N626 D678P621-T623 PolarHBondContact O-N 2.92Å; P621-T623 VanDerWaalsContact O-N 3.1Å; T623-N626 PolarHBondContact O-N 2.95Å; T623-D678 WeakPolarHBondContact CB-OD2 3.24Å; T623-D678 HydrophobicContact CG2-CB 4.1Å; T623-D678 WeakPolarHBondContact CG2-OD2 3.38Å; T623-D678 PolarHBondContact OG1-OD2 3.29Å
624W95.6Very high93.8Very high0 Ų051.2 Ų51.20%031%0.306CS..Hα-helixtrans-70.7-42.1175.1-70.741000111.2L605 E606 M609 L620 P621 N626 L627 L672 V675 Y676 L679L605-W624 HydrophobicContact CB-CE3 3.97Å; L605-W624 HydrophobicContact CB-CH2 4Å; L605-W624 HydrophobicContact CB-CZ3 3.45Å; L605-W624 VanDerWaalsContact CB-CZ3 3.45Å; E606-W624 HydrophobicContact CG-CH2 4.43Å; M609-W624 HydrophobicContact CG-CE3 3.72Å; M609-W624 HydrophobicContact CG-CZ3 4.18Å; M609-W624 HydrophobicContact SD-CB 4.26Å; M609-W624 HydrophobicContact SD-CE3 4.43Å; L620-W624 HydrophobicContact CD2-CE3 4.29Å; P621-W624 HydrophobicContact CB-CB 4.06Å; P621-W624 HydrophobicContact CB-CG 3.93Å; P621-W624 HydrophobicContact CG-CB 4.22Å; P621-W624 HydrophobicContact CG-CD2 4.2Å; P621-W624 HydrophobicContact CG-CG 3.91Å; P621-W624 WeakPolarHBondContact O-CA 3.42Å; P621-W624 WeakPolarHBondContact O-CB 3.47Å; P621-W624 PolarHBondContact O-N 3.38Å; W624-N626 PolarHBondContact O-N 3.27Å; W624-L627 WeakPolarHBondContact O-CB 3.15Å; W624-L627 PolarHBondContact O-N 3.32Å; W624-L672 HydrophobicContact CD2-CD2 3.68Å; W624-L672 HydrophobicContact CE3-CD1 4.39Å; W624-L672 HydrophobicContact CE3-CD2 3.52Å; W624-L672 HydrophobicContact CG-CD2 4.3Å; W624-L672 HydrophobicContact CH2-CD1 3.97Å; W624-L672 HydrophobicContact CH2-CD2 4.01Å; W624-L672 HydrophobicContact CH2-CG 4.41Å; W624-L672 HydrophobicContact CZ2-CD2 4.17Å; W624-L672 HydrophobicContact CZ3-CD1 3.75Å; W624-L672 HydrophobicContact CZ3-CD2 3.68Å; W624-L672 HydrophobicContact CZ3-CG 4.3Å; W624-V675 HydrophobicContact CD2-CG2 4.49Å; W624-V675 HydrophobicContact CG-CG2 4.11Å; W624-V675 PolarHBondContact NE1-O 3.23Å; W624-Y676 HydrophobicContact CH2-CD2 4.49Å; W624-Y676 HydrophobicContact CH2-CE1 4.15Å; W624-Y676 HydrophobicContact CH2-CE2 4.08Å; W624-Y676 AromaticContact CH2-CZ 3.9Å; W624-Y676 AromaticContact CZ2-CD1 3.97Å; W624-Y676 HydrophobicContact CZ2-CD1 3.97Å; W624-Y676 HydrophobicContact CZ2-CD2 4.17Å; W624-Y676 AromaticContact CZ2-CE1 3.99Å; W624-Y676 HydrophobicContact CZ2-CE1 3.99Å; W624-Y676 HydrophobicContact CZ2-CE2 4.2Å; W624-Y676 HydrophobicContact CZ2-CG 4.07Å; W624-L679 HydrophobicContact CZ2-CD1 4.01Å; W624-L679 HydrophobicContact CZ2-CD2 4.16Å; W624-L679 HydrophobicContact CZ2-CG 4.37Å
625R95.2Very high94Very high75 Ų7550.2 Ų50.228%0.28330%0.298SS..Hα-helixtrans-55-39.8173.6-179.6-167.7179.3143.912112.1G617 N618 P621 L627 M628 M629G617-R625 VanDerWaalsContact O-CD 3.31Å; G617-R625 WeakPolarHBondContact O-CD 3.08Å; G617-R625 VanDerWaalsContact O-CG 3.27Å; G617-R625 WeakPolarHBondContact O-CG 3.31Å; N618-R625 PolarHBondContact OD1-NH1 2.88Å; N618-R625 PolarHBondContact OD1-NH2 3.2Å; P621-R625 PolarHBondContact O-N 3.37Å; R625-L627 PolarHBondContact O-N 3.48Å; R625-M628 WeakPolarHBondContact O-CB 3.4Å; R625-M628 PolarHBondContact O-N 3.02Å; R625-M629 HydrophobicContact CG-CE 3.81Å; R625-M629 HydrophobicContact CG-SD 3.99Å; R625-M629 PolarHBondContact NE-SD 2.93Å; R625-M629 VanDerWaalsContact NE-SD 3.42Å
626N95.8Very high94.3Very high87 Ų8749.7 Ų49.747%0.46529%0.285SS..Hα-helixtrans-60.5-29178.9-70.5-22.5000112.7P622 T623 W624 M628 M629 S630P622-N626 VanDerWaalsContact O-CG 3.25Å; P622-N626 PolarHBondContact O-N 3.11Å; P622-N626 PolarHBondContact O-ND2 3.45Å; P622-N626 PolarHBondContact O-OD1 3.32Å; T623-N626 PolarHBondContact O-N 2.95Å; W624-N626 PolarHBondContact O-N 3.27Å; N626-M628 PolarHBondContact O-N 3.36Å; N626-M629 PolarHBondContact O-N 3.22Å; N626-S630 VanDerWaalsContact O-CB 3.28Å; N626-S630 WeakPolarHBondContact O-CB 3.22Å; N626-S630 PolarHBondContact O-N 2.89Å
627L96.2Very high94.4Very high26 Ų2653.3 Ų53.314%0.13631%0.305CS..THydrogen-bonded Turntrans-67.7-18.8174.3-59.4175.6000113.5M609 W624 R625 S633 I635 A671 L672 V675M609-L627 HydrophobicContact CE-CB 3.97Å; M609-L627 HydrophobicContact CE-CD1 4.33Å; W624-L627 WeakPolarHBondContact O-CB 3.15Å; W624-L627 PolarHBondContact O-N 3.32Å; R625-L627 PolarHBondContact O-N 3.48Å; L627-S633 WeakPolarHBondContact CA-OG 3.48Å; L627-S633 VanDerWaalsContact O-CB 3.27Å; L627-S633 WeakPolarHBondContact O-CB 3.48Å; L627-S633 PolarHBondContact O-OG 3.5Å; L627-I635 HydrophobicContact CB-CD1 4.16Å; L627-I635 HydrophobicContact CB-CG1 4.34Å; L627-I635 HydrophobicContact CD1-CD1 4.47Å; L627-A671 HydrophobicContact CD1-CB 4.33Å; L627-L672 HydrophobicContact CD1-CD2 3.94Å; L627-V675 HydrophobicContact CD1-CG2 3.76Å
628M95.3Very high94.8Very high2 Ų253.5 Ų53.51%0.0131%0.305CS..THydrogen-bonded Turntrans-89.9-12.8176.1-51.4178.382.700113.6M609 F612 A614 L620 R625 N626 I636 Y639M609-M628 HydrophobicContact CE-CG 3.88Å; M609-M628 HydrophobicContact SD-CG 4Å; M609-M628 HydrophobicContact SD-SD 4.08Å; F612-M628 HydrophobicContact CB-CE 3.99Å; F612-M628 VanDerWaalsContact O-CE 3.3Å; F612-M628 WeakPolarHBondContact O-CE 3.45Å; A614-M628 HydrophobicContact CB-CB 4.14Å; A614-M628 WeakPolarHBondContact CB-O 3.27Å; L620-M628 HydrophobicContact CD1-CE 4.38Å; L620-M628 HydrophobicContact CD1-SD 3.44Å; L620-M628 WeakPolarHBondContact CD1-SD 3.36Å; R625-M628 WeakPolarHBondContact O-CB 3.4Å; R625-M628 PolarHBondContact O-N 3.02Å; N626-M628 PolarHBondContact O-N 3.36Å; M628-I636 WeakPolarHBondContact O-CD1 3.29Å; M628-Y639 HydrophobicContact CB-CD1 4.47Å; M628-Y639 HydrophobicContact CB-CD2 4.15Å; M628-Y639 HydrophobicContact CB-CE2 4.4Å; M628-Y639 HydrophobicContact CB-CG 4.19Å; M628-Y639 HydrophobicContact CE-CD1 3.6Å; M628-Y639 HydrophobicContact CE-CE1 3.49Å; M628-Y639 VanDerWaalsContact CE-CE1 3.49Å; M628-Y639 HydrophobicContact CE-CG 4.45Å; M628-Y639 HydrophobicContact CG-CD1 4.4Å; M628-Y639 HydrophobicContact CG-CD2 4.36Å; M628-Y639 HydrophobicContact CG-CE1 4.2Å; M628-Y639 HydrophobicContact CG-CE2 4.13Å; M628-Y639 HydrophobicContact CG-CG 4.49Å
629M93.3Very high95Very high90 Ų9048.6 Ų48.644%0.44328%0.278SS..THydrogen-bonded Turntrans-126-24.9-169.2-54.4-175.3-47.100113.8R625 N626R625-M629 HydrophobicContact CG-CE 3.81Å; R625-M629 HydrophobicContact CG-SD 3.99Å; R625-M629 PolarHBondContact NE-SD 2.93Å; R625-M629 VanDerWaalsContact NE-SD 3.42Å; N626-M629 PolarHBondContact O-N 3.22Å
630S93.6Very high95.1Very high47 Ų4747.8 Ų47.833%0.32928%0.279SS..  trans-77.7129.4179.9-175.70000111.3N626 D632 S633N626-S630 VanDerWaalsContact O-CB 3.28Å; N626-S630 WeakPolarHBondContact O-CB 3.22Å; N626-S630 PolarHBondContact O-N 2.89Å; S630-D632 PolarHBondContact O-N 3.4Å; S630-D632 PolarHBondContact OG-N 2.99Å; S630-S633 WeakPolarHBondContact O-CB 3.44Å; S630-S633 PolarHBondContact O-N 3.33Å
631A92.6Very high94.7Very high91 Ų9155.2 Ų55.275%0.75232%0.319SS*.THydrogen-bonded Turntrans-62.1-23.917300000113S633A631-S633 VanDerWaalsContact C-N 3.29Å
632D93.7Very high94.5Very high155 Ų15560.2 Ų60.283%0.82935%0.346SS*.THydrogen-bonded Turntrans-82.9-2.7176.2-57.7-51000113S630 S634S630-D632 PolarHBondContact O-N 3.4Å; S630-D632 PolarHBondContact OG-N 2.99Å; D632-S634 PolarHBondContact O-N 2.62Å
633S95.3Very high94.3Very high12 Ų1256.4 Ų56.48%0.08432%0.319CS..  trans-69129.3-179.7173.60000111.8L627 S630 A631 I635 I636L627-S633 WeakPolarHBondContact CA-OG 3.48Å; L627-S633 VanDerWaalsContact O-CB 3.27Å; L627-S633 WeakPolarHBondContact O-CB 3.48Å; L627-S633 PolarHBondContact O-OG 3.5Å; S630-S633 WeakPolarHBondContact O-CB 3.44Å; S630-S633 PolarHBondContact O-N 3.33Å; A631-S633 VanDerWaalsContact C-N 3.29Å; S633-I635 PolarHBondContact O-N 3.14Å; S633-I635 WeakPolarHBondContact OG-CG1 3.41Å; S633-I635 PolarHBondContact OG-N 3.34Å; S633-I636 WeakPolarHBondContact O-CG2 3.39Å; S633-I636 PolarHBondContact O-N 3.12Å; S633-I636 VanDerWaalsContact O-N 3.16Å
634S95.5Very high94.1Very high77 Ų7757.2 Ų57.254%0.53833%0.331SS..THydrogen-bonded Turntrans-66.90.8178.963.30000114.8D632 R667D632-S634 PolarHBondContact O-N 2.62Å; S634-R667 PolarHBondContact O-NH2 2.96Å
635I96.8Very high93.8Very high0 Ų059.2 Ų59.20%034%0.341CS..THydrogen-bonded Turntrans-133.715177.959.1168.3000113.7M609 L627 S633 D637 F638 Y639 R667 L668 A671M609-I635 HydrophobicContact CE-CD1 4.11Å; L627-I635 HydrophobicContact CB-CD1 4.16Å; L627-I635 HydrophobicContact CB-CG1 4.34Å; L627-I635 HydrophobicContact CD1-CD1 4.47Å; S633-I635 PolarHBondContact O-N 3.14Å; S633-I635 WeakPolarHBondContact OG-CG1 3.41Å; S633-I635 PolarHBondContact OG-N 3.34Å; I635-D637 PolarHBondContact O-N 3.45Å; I635-F638 HydrophobicContact CB-CD2 3.68Å; I635-F638 HydrophobicContact CB-CE2 3.76Å; I635-F638 HydrophobicContact CB-CG 4.47Å; I635-F638 HydrophobicContact CG2-CD2 4.07Å; I635-F638 HydrophobicContact CG2-CE2 3.6Å; I635-F638 HydrophobicContact CG2-CZ 4.31Å; I635-F638 WeakPolarHBondContact O-CB 3.26Å; I635-F638 PolarHBondContact O-N 3.11Å; I635-Y639 HydrophobicContact CD1-CE2 4.14Å; I635-Y639 HydrophobicContact CG1-CE2 4.28Å; I635-R667 HydrophobicContact CG2-CB 4.22Å; I635-L668 HydrophobicContact CD1-CD1 3.71Å; I635-A671 HydrophobicContact CD1-CB 3.99Å; I635-A671 HydrophobicContact CG1-CB 4.12Å; I635-A671 HydrophobicContact CG2-CB 3.91Å
636I96.5Very high93.5Very high56 Ų5657.3 Ų57.329%0.28734%0.336SS..G310 helixtrans-59.4-28.7-177.7-167.258.1000113.4M628 S633 F638 Y639M628-I636 WeakPolarHBondContact O-CD1 3.29Å; S633-I636 WeakPolarHBondContact O-CG2 3.39Å; S633-I636 PolarHBondContact O-N 3.12Å; S633-I636 VanDerWaalsContact O-N 3.16Å; I636-F638 PolarHBondContact O-N 2.91Å; I636-F638 VanDerWaalsContact O-N 3.1Å; I636-Y639 PolarHBondContact O-N 3.3Å
637D95.5Very high92.9Very high77 Ų7755.6 Ų55.641%0.41233%0.327SS..G310 helixtrans-63.1-11.9174.960.8-58.1000114.2I635 Y639 P661 R667I635-D637 PolarHBondContact O-N 3.45Å; D637-Y639 VanDerWaalsContact C-N 3.35Å; D637-P661 WeakPolarHBondContact O-CG 3.46Å; D637-R667 IonicContact OD1-CZ 2.64Å; D637-R667 IonicContact OD1-NH1 3.84Å; D637-R667 IonicContact OD1-NH2 3.62Å; D637-R667 PolarHBondContact OD1-NH2 3.43Å; D637-R667 IonicContact OD2-CZ 3.22Å; D637-R667 IonicContact OD2-NH1 3.28Å; D637-R667 PolarHBondContact OD2-NH1 2.96Å; D637-R667 IonicContact OD2-NH2 2.69Å; D637-R667 PolarHBondContact OD2-NH2 3.32Å
638F95.9Very high92.1Very high3 Ų356.4 Ų56.41%0.01333%0.332CS..G310 helixtrans-81.8-12.2171.8-58.4-18.8000113.5R115 I635 I636 P640 V663 D664 R667 L668R115-F638 PolarHBondContact NH2-O 3.24Å; I635-F638 HydrophobicContact CB-CD2 3.68Å; I635-F638 HydrophobicContact CB-CE2 3.76Å; I635-F638 HydrophobicContact CB-CG 4.47Å; I635-F638 HydrophobicContact CG2-CD2 4.07Å; I635-F638 HydrophobicContact CG2-CE2 3.6Å; I635-F638 HydrophobicContact CG2-CZ 4.31Å; I635-F638 WeakPolarHBondContact O-CB 3.26Å; I635-F638 PolarHBondContact O-N 3.11Å; I636-F638 PolarHBondContact O-N 2.91Å; I636-F638 VanDerWaalsContact O-N 3.1Å; F638-P640 VanDerWaalsContact C-CD 3.41Å; F638-P640 WeakPolarHBondContact O-CD 3.29Å; F638-V663 HydrophobicContact CB-CG2 4.27Å; F638-V663 HydrophobicContact CD2-CB 4.37Å; F638-V663 HydrophobicContact CD2-CG1 3.79Å; F638-V663 HydrophobicContact CD2-CG2 4.27Å; F638-V663 HydrophobicContact CE2-CG1 3.78Å; F638-V663 HydrophobicContact CG-CG1 4.44Å; F638-V663 HydrophobicContact CG-CG2 4.17Å; F638-V663 HydrophobicContact CZ-CG1 4.41Å; F638-D664 HydrophobicContact CZ-CB 3.98Å; F638-R667 HydrophobicContact CE2-CB 4.36Å; F638-R667 HydrophobicContact CZ-CB 4.03Å; F638-L668 HydrophobicContact CE2-CB 4.44Å
639Y96.1Very high91Very high7 Ų759.5 Ų59.53%0.02736%0.364CS..SBendtrans-126.259.1-171.9-49.1-73.2000112.6F119 M609 M628 I635 I636 D637F119-Y639 HydrophobicContact CZ-CD1 4.34Å; M609-Y639 WeakPolarHBondContact O-CE1 3.42Å; M609-Y639 PolarHBondContact O-OH 3.45Å; M628-Y639 HydrophobicContact CB-CD1 4.47Å; M628-Y639 HydrophobicContact CB-CD2 4.15Å; M628-Y639 HydrophobicContact CB-CE2 4.4Å; M628-Y639 HydrophobicContact CB-CG 4.19Å; M628-Y639 HydrophobicContact CE-CD1 3.6Å; M628-Y639 HydrophobicContact CE-CE1 3.49Å; M628-Y639 VanDerWaalsContact CE-CE1 3.49Å; M628-Y639 HydrophobicContact CE-CG 4.45Å; M628-Y639 HydrophobicContact CG-CD1 4.4Å; M628-Y639 HydrophobicContact CG-CD2 4.36Å; M628-Y639 HydrophobicContact CG-CE1 4.2Å; M628-Y639 HydrophobicContact CG-CE2 4.13Å; M628-Y639 HydrophobicContact CG-CG 4.49Å; I635-Y639 HydrophobicContact CD1-CE2 4.14Å; I635-Y639 HydrophobicContact CG1-CE2 4.28Å; I636-Y639 PolarHBondContact O-N 3.3Å; D637-Y639 VanDerWaalsContact C-N 3.35Å
640P94.4Very high90Very high43 Ų4357.1 Ų57.128%0.27935%0.351SS..  trans-66.6136.1177.930.2-36.1000111.6F638 D642 L660F638-P640 VanDerWaalsContact C-CD 3.41Å; F638-P640 WeakPolarHBondContact O-CD 3.29Å; P640-D642 VanDerWaalsContact C-N 3.29Å; P640-D642 PolarHBondContact O-N 3.23Å; P640-L660 HydrophobicContact CG-CD2 4.41Å
641D87.8Confident88.9Confident169 Ų16962 Ų6290%0.90437%0.366SS*.SBendtrans-61.6-36177.5-64.4-57.4000112.7
642D89.6Confident87.9Confident108 Ų10863 Ų6358%0.57835%0.351SS*.  trans-132.3150.7174.3-169.329000112.2K123 P640K123-D642 WeakPolarHBondContact CE-OD1 3.2Å; K123-D642 IonicContact NZ-OD1 3.72Å; K123-D642 PolarHBondContact NZ-OD1 2.92Å; K123-D642 IonicContact NZ-OD2 2.76Å; P640-D642 VanDerWaalsContact C-N 3.29Å; P640-D642 PolarHBondContact O-N 3.23Å
643F92Very high86.9Confident14 Ų1457.9 Ų57.96%0.06133%0.33CS..  trans-145.1146.5-179.460.4-87000111.9F119 R120 K123 I645 A658 L660F119-F643 HydrophobicContact CB-CE1 3.87Å; F119-F643 HydrophobicContact CB-CZ 4.01Å; F119-F643 HydrophobicContact CD1-CD1 4.16Å; F119-F643 HydrophobicContact CD1-CE1 4.1Å; R120-F643 HydrophobicContact CG-CE2 3.99Å; R120-F643 HydrophobicContact CG-CZ 4.05Å; K123-F643 HydrophobicContact CB-CE1 4.08Å; K123-F643 HydrophobicContact CB-CZ 4.04Å; K123-F643 HydrophobicContact CD-CE1 3.98Å; K123-F643 HydrophobicContact CD-CE2 4.48Å; K123-F643 HydrophobicContact CD-CZ 3.93Å; K123-F643 PolarHBondContact NZ-O 3.49Å; F643-I645 HydrophobicContact CD2-CG1 4.12Å; F643-I645 HydrophobicContact CE2-CD1 4.02Å; F643-I645 HydrophobicContact CE2-CG1 3.8Å; F643-A658 HydrophobicContact CD2-CB 3.89Å; F643-A658 HydrophobicContact CE2-CB 3.66Å; F643-L660 HydrophobicContact CB-CD2 3.78Å; F643-L660 HydrophobicContact CD1-CD2 3.85Å; F643-L660 HydrophobicContact CD2-CD2 4.12Å; F643-L660 HydrophobicContact CG-CD2 3.63Å
644A90.6Very high85.8Confident62 Ų6264.7 Ų64.751%0.51235%0.354SS..  trans-72141.9176.600000111.8L659A644-L659 HydrophobicContact CB-CD1 4.28Å; A644-L659 PolarHBondContact O-N 3Å
645I88.9Confident84.7Confident43 Ų4363.2 Ų63.222%0.22134%0.339CS..EExtended strand (participates in β ladder)trans-115.7107.6170.7-59.7176.4000107.7R120 F643 L647 V657R120-I645 HydrophobicContact CG-CD1 4.22Å; F643-I645 HydrophobicContact CD2-CG1 4.12Å; F643-I645 HydrophobicContact CE2-CD1 4.02Å; F643-I645 HydrophobicContact CE2-CG1 3.8Å; I645-L647 PolarHBondContact O-N 2.61Å; I645-V657 WeakPolarHBondContact CA-O 3.47Å
646D88.5Confident84Confident34 Ų3463.6 Ų63.618%0.18234%0.342CS..EExtended strand (participates in β ladder)trans-76.1116.3172.8170.138.2000109.9K534 Y578 N648 G656 V657 L659K534-D646 IonicContact NZ-OD1 3.9Å; K534-D646 PolarHBondContact NZ-OD1 2.7Å; K534-D646 IonicContact NZ-OD2 3.91Å; K534-D646 PolarHBondContact NZ-OD2 3.18Å; Y578-D646 VanDerWaalsContact CE1-OD2 3.28Å; Y578-D646 WeakPolarHBondContact CE1-OD2 3.3Å; Y578-D646 WeakPolarHBondContact OH-CB 3.27Å; Y578-D646 PolarHBondContact OH-OD2 2.92Å; Y578-D646 VanDerWaalsContact OH-OD2 3.06Å; D646-N648 PolarHBondContact O-N 3.1Å; D646-N648 PolarHBondContact OD1-N 3.21Å; D646-N648 VanDerWaalsContact OD2-CB 3.25Å; D646-N648 WeakPolarHBondContact OD2-CB 3.49Å; D646-G656 CarbonylContact O-C 3.5Å; D646-G656 WeakPolarHBondContact O-CA 3.27Å; D646-V657 PolarHBondContact N-O 3.31Å; D646-V657 PolarHBondContact O-N 3.42Å; D646-L659 HydrophobicContact CB-CD1 4.41Å
647L82.4Confident83.6Confident52 Ų5262.6 Ų62.627%0.27234%0.339SS..  trans-65.1-23176.9-67171.1000112.7P515 I645 G649 K650P515-L647 HydrophobicContact CG-CD1 3.87Å; I645-L647 PolarHBondContact O-N 2.61Å; L647-G649 VanDerWaalsContact C-N 3.27Å; L647-G649 PolarHBondContact O-N 3.04Å; L647-G649 VanDerWaalsContact O-N 3.15Å; L647-K650 WeakPolarHBondContact O-CA 3.46Å; L647-K650 VanDerWaalsContact O-CB 3.3Å; L647-K650 WeakPolarHBondContact O-CB 3.48Å; L647-K650 WeakPolarHBondContact O-CG 3.4Å; L647-K650 PolarHBondContact O-N 2.67Å
648N80.7Confident83.3Confident43 Ų4359.2 Ų59.223%0.2332%0.322CS..THydrogen-bonded Turntrans46.944.5175.4-154.618.1000114.3K534 D646 K650K534-N648 WeakPolarHBondContact CE-OD1 3.36Å; K534-N648 PolarHBondContact NZ-OD1 3.47Å; D646-N648 PolarHBondContact O-N 3.1Å; D646-N648 PolarHBondContact OD1-N 3.21Å; D646-N648 VanDerWaalsContact OD2-CB 3.25Å; D646-N648 WeakPolarHBondContact OD2-CB 3.49Å; N648-K650 VanDerWaalsContact C-N 3.29Å; N648-K650 PolarHBondContact O-N 2.9Å
649G70.7Confident83.2Confident66 Ų6662 Ų6268%0.6834%0.336SS*.THydrogen-bonded Turntrans73.69.6-177.500000115.5L647L647-G649 VanDerWaalsContact C-N 3.27Å; L647-G649 PolarHBondContact O-N 3.04Å; L647-G649 VanDerWaalsContact O-N 3.15Å
650K73.8Confident83.1Confident40 Ų4062.1 Ų62.117%0.17434%0.338CS..  trans-95.6158171.9-47.6-54.3-176.5-168.40110.7H349 E354 L647 N648 Q655H349-K650 PolarHBondContact NE2-NZ 3.28Å; E354-K650 IonicContact OE2-NZ 3.08Å; E354-K650 PolarHBondContact OE2-NZ 3.25Å; L647-K650 WeakPolarHBondContact O-CA 3.46Å; L647-K650 VanDerWaalsContact O-CB 3.3Å; L647-K650 WeakPolarHBondContact O-CB 3.48Å; L647-K650 WeakPolarHBondContact O-CG 3.4Å; L647-K650 PolarHBondContact O-N 2.67Å; N648-K650 VanDerWaalsContact C-N 3.29Å; N648-K650 PolarHBondContact O-N 2.9Å; K650-Q655 HydrophobicContact CB-CB 3.56Å; K650-Q655 HydrophobicContact CB-CG 4.43Å; K650-Q655 HydrophobicContact CG-CB 3.97Å
651K68.9Low83.1Confident151 Ų15162.6 Ų62.666%0.65734%0.341SS*.SBendtrans-81.5-25.2-171-176.6176.2177.6-147.90114.8
652Y72.1Confident83.5Confident112 Ų11257.4 Ų57.444%0.43931%0.31SS..SBendtrans-131145.3-168.8-59.5-81.8000111.5W654 Q655Y652-W654 VanDerWaalsContact C-N 3.3Å; Y652-W654 HydrophobicContact CD2-CZ2 4.32Å; Y652-W654 AromaticContact CG-NE1 3.63Å; Y652-W654 PolarHBondContact O-N 3.46Å; Y652-Q655 WeakPolarHBondContact O-CA 3.24Å; Y652-Q655 WeakPolarHBondContact O-CB 3.45Å; Y652-Q655 PolarHBondContact O-N 2.94Å
653A73.6Confident83.7Confident47 Ų4752.5 Ų52.539%0.38828%0.284SS..G310 helixtrans-55.9-38.2-177.200000113.8Q655 G656A653-Q655 PolarHBondContact O-N 3.13Å; A653-Q655 VanDerWaalsContact O-N 3.11Å; A653-G656 PolarHBondContact O-N 3.24Å
654W71.8Confident83.9Confident155 Ų15555.1 Ų55.159%0.58730%0.299SS*.G310 helixtrans-61.7-19.3175.465.3-98.8000114R120 Y652R120-W654 PolarHBondContact NH1-O 2.99Å; Y652-W654 VanDerWaalsContact C-N 3.3Å; Y652-W654 HydrophobicContact CD2-CZ2 4.32Å; Y652-W654 AromaticContact CG-NE1 3.63Å; Y652-W654 PolarHBondContact O-N 3.46Å
655Q72.9Confident84Confident46 Ų4653.8 Ų53.822%0.21528%0.282CS..G310 helixtrans-89.9-9.8172.6-57.5-164.8-10000113.8K650 Y652 A653K650-Q655 HydrophobicContact CB-CB 3.56Å; K650-Q655 HydrophobicContact CB-CG 4.43Å; K650-Q655 HydrophobicContact CG-CB 3.97Å; Y652-Q655 WeakPolarHBondContact O-CA 3.24Å; Y652-Q655 WeakPolarHBondContact O-CB 3.45Å; Y652-Q655 PolarHBondContact O-N 2.94Å; A653-Q655 PolarHBondContact O-N 3.13Å; A653-Q655 VanDerWaalsContact O-N 3.11Å
656G81.8Confident84.2Confident7 Ų761.9 Ų61.97%0.07231%0.31CS..SBendtrans-82.1175.4-177.200000114D646 A653D646-G656 CarbonylContact O-C 3.5Å; D646-G656 WeakPolarHBondContact O-CA 3.27Å; A653-G656 PolarHBondContact O-N 3.24Å
657V86.8Confident84.6Confident36 Ų3664.7 Ų64.722%0.21832%0.317CS..EExtended strand (participates in β ladder)trans-102.5115-178.7-174.10000109H577 Y578 I645 D646 L659H577-V657 HydrophobicContact CB-CG1 3.87Å; Y578-V657 HydrophobicContact CE1-CB 4.33Å; Y578-V657 HydrophobicContact CE1-CG1 4.37Å; Y578-V657 HydrophobicContact CE1-CG2 4.16Å; I645-V657 WeakPolarHBondContact CA-O 3.47Å; D646-V657 PolarHBondContact N-O 3.31Å; D646-V657 PolarHBondContact O-N 3.42Å; V657-L659 HydrophobicContact CG1-CD2 4.09Å; V657-L659 PolarHBondContact O-N 2.85Å
658A91.1Very high85.3Confident5 Ų562.2 Ų62.24%0.04131%0.305CS..EExtended strand (participates in β ladder)trans-76.9119174.900000110.4R120 F643 L660R120-A658 HydrophobicContact CG-CB 4.18Å; F643-A658 HydrophobicContact CD2-CB 3.89Å; F643-A658 HydrophobicContact CE2-CB 3.66Å; A658-L660 VanDerWaalsContact C-N 3.35Å; A658-L660 PolarHBondContact O-N 3.5Å; A658-L660 VanDerWaalsContact O-N 3.08Å
659L93.1Very high86Confident62 Ų6264.5 Ų64.533%0.32531%0.31SS..  trans-88.371.2-173.8-59.3-178.3000111.3H577 Y578 A644 D646 V657H577-L659 HydrophobicContact CB-CD2 4.05Å; Y578-L659 HydrophobicContact CE2-CD2 4.33Å; A644-L659 HydrophobicContact CB-CD1 4.28Å; A644-L659 PolarHBondContact O-N 3Å; D646-L659 HydrophobicContact CB-CD1 4.41Å; V657-L659 HydrophobicContact CG1-CD2 4.09Å; V657-L659 PolarHBondContact O-N 2.85Å
660L94.4Very high87.2Confident10 Ų1064.2 Ų64.25%0.05230%0.301CS..PPolyproline II helixtrans-89.9141.9176.3-61.8171.6000111.3R115 F119 H577 P640 F643 A658R115-L660 HydrophobicContact CG-CD1 4.18Å; F119-L660 HydrophobicContact CB-CD1 3.78Å; F119-L660 HydrophobicContact CB-CD2 4.36Å; F119-L660 HydrophobicContact CD1-CD1 4.17Å; F119-L660 HydrophobicContact CD1-CD2 3.58Å; F119-L660 HydrophobicContact CD2-CD1 4.02Å; F119-L660 HydrophobicContact CE1-CD2 4.01Å; F119-L660 HydrophobicContact CG-CD1 3.73Å; F119-L660 HydrophobicContact CG-CD2 4.02Å; H577-L660 PolarHBondContact NE2-O 2.93Å; P640-L660 HydrophobicContact CG-CD2 4.41Å; F643-L660 HydrophobicContact CB-CD2 3.78Å; F643-L660 HydrophobicContact CD1-CD2 3.85Å; F643-L660 HydrophobicContact CD2-CD2 4.12Å; F643-L660 HydrophobicContact CG-CD2 3.63Å; A658-L660 VanDerWaalsContact C-N 3.35Å; A658-L660 PolarHBondContact O-N 3.5Å; A658-L660 VanDerWaalsContact O-N 3.08Å
661P94.5Very high88.2Confident53 Ų5362.4 Ų62.434%0.34429%0.294SS..PPolyproline II helixtrans-69.3133.3173.628.3-32.8000110.4R115 D637 V663R115-P661 VanDerWaalsContact CZ-O 3.27Å; R115-P661 PolarHBondContact NH1-O 3.14Å; R115-P661 PolarHBondContact NH2-O 3.36Å; D637-P661 WeakPolarHBondContact O-CG 3.46Å; P661-V663 PolarHBondContact O-N 3.45Å
662F95Very high89.5Confident60 Ų6055.2 Ų55.226%0.26326%0.263SS..PPolyproline II helixtrans-68.9130.3-178.5-65.6-78.4000111.8F573 P575 H577 D664F573-F662 HydrophobicContact CD2-CD1 4.19Å; F573-F662 HydrophobicContact CD2-CE1 4.41Å; F573-F662 HydrophobicContact CE2-CB 4.21Å; F573-F662 AromaticContact CE2-CD1 3.76Å; F573-F662 HydrophobicContact CE2-CD1 3.76Å; F573-F662 HydrophobicContact CE2-CE1 4.28Å; F573-F662 AromaticContact CE2-CG 4Å; F573-F662 HydrophobicContact CE2-CG 4Å; P575-F662 WeakPolarHBondContact O-CE2 3.36Å; H577-F662 AromaticContact CE1-CE2 3.43Å; H577-F662 VanDerWaalsContact CE1-CE2 3.43Å; H577-F662 WeakPolarHBondContact CE1-CE2 3.47Å; H577-F662 AromaticContact CE1-CZ 3.87Å; H577-F662 AromaticContact ND1-CE2 3.83Å; H577-F662 AromaticContact NE2-CE2 3.9Å; H577-F662 AromaticContact NE2-CZ 3.95Å; F662-D664 PolarHBondContact O-N 3.01Å
663V95.2Very high90.7Very high4 Ų452.5 Ų52.52%0.02426%0.264CS..PPolyproline II helixtrans-65.6126.3176-1800000110.6R108 F638 P661 L668R108-V663 PolarHBondContact NH2-O 2.98Å; F638-V663 HydrophobicContact CB-CG2 4.27Å; F638-V663 HydrophobicContact CD2-CB 4.37Å; F638-V663 HydrophobicContact CD2-CG1 3.79Å; F638-V663 HydrophobicContact CD2-CG2 4.27Å; F638-V663 HydrophobicContact CE2-CG1 3.78Å; F638-V663 HydrophobicContact CG-CG1 4.44Å; F638-V663 HydrophobicContact CG-CG2 4.17Å; F638-V663 HydrophobicContact CZ-CG1 4.41Å; P661-V663 PolarHBondContact O-N 3.45Å; V663-L668 HydrophobicContact CG1-CB 4.12Å; V663-L668 HydrophobicContact CG1-CD2 3.91Å
664D95.2Very high91.6Very high70 Ų7056.6 Ų56.637%0.37428%0.279SS..PPolyproline II helixtrans-83.5117.1170.5179.6-36000109.8F638 F662 R666 R667 L668F638-D664 HydrophobicContact CZ-CB 3.98Å; F662-D664 PolarHBondContact O-N 3.01Å; D664-R666 VanDerWaalsContact C-N 3.28Å; D664-R666 PolarHBondContact O-N 3.49Å; D664-R666 WeakPolarHBondContact OD1-CA 3.34Å; D664-R666 VanDerWaalsContact OD1-CB 3.31Å; D664-R666 WeakPolarHBondContact OD1-CB 3.31Å; D664-R666 PolarHBondContact OD1-N 3.21Å; D664-R667 HydrophobicContact CB-CB 4.08Å; D664-R667 HydrophobicContact CB-CG 4.13Å; D664-R667 PolarHBondContact O-N 3.33Å; D664-R667 PolarHBondContact OD1-N 3.29Å; D664-R667 VanDerWaalsContact OD1-N 3.08Å; D664-L668 WeakPolarHBondContact O-CB 3.49Å; D664-L668 PolarHBondContact O-N 2.62Å
665E92.6Very high92.7Very high34 Ų3450.1 Ų50.116%0.15926%0.256CS..Hα-helixtrans-59.2-35-179.7177.2177163.700113.1F602 R669F602-E665 HydrophobicContact CE1-CG 4.37Å; F602-E665 HydrophobicContact CE2-CG 4.23Å; F602-E665 HydrophobicContact CZ-CB 4.01Å; F602-E665 HydrophobicContact CZ-CG 3.6Å; E665-R669 WeakPolarHBondContact O-CB 3.45Å; E665-R669 WeakPolarHBondContact O-CG 3.33Å; E665-R669 PolarHBondContact O-N 2.88Å; E665-R669 IonicContact OE1-CZ 2.89Å; E665-R669 VanDerWaalsContact OE1-CZ 3.28Å; E665-R669 IonicContact OE1-NH1 3.18Å; E665-R669 PolarHBondContact OE1-NH1 2.68Å; E665-R669 IonicContact OE1-NH2 2.72Å; E665-R669 PolarHBondContact OE1-NH2 3.49Å
666R94.1Very high93.8Very high213 Ų21350.6 Ų50.680%0.80426%0.257SS*.Hα-helixtrans-73.8-42.8-179.4-63-179.859.5-177.2-4.6111D664 A670D664-R666 VanDerWaalsContact C-N 3.28Å; D664-R666 PolarHBondContact O-N 3.49Å; D664-R666 WeakPolarHBondContact OD1-CA 3.34Å; D664-R666 VanDerWaalsContact OD1-CB 3.31Å; D664-R666 WeakPolarHBondContact OD1-CB 3.31Å; D664-R666 PolarHBondContact OD1-N 3.21Å; R666-A670 VanDerWaalsContact O-CB 3.31Å; R666-A670 WeakPolarHBondContact O-CB 3.45Å; R666-A670 PolarHBondContact O-N 3.05Å
667R96.3Very high94.6Very high92 Ų9255.4 Ų55.435%0.34729%0.287SS..Hα-helixtrans-65.1-45175.6-70.3-17959.8-148.9-7111.3S634 I635 D637 F638 D664 A670 A671S634-R667 PolarHBondContact O-NH2 2.96Å; I635-R667 HydrophobicContact CG2-CB 4.22Å; D637-R667 IonicContact OD1-CZ 2.64Å; D637-R667 IonicContact OD1-NH1 3.84Å; D637-R667 IonicContact OD1-NH2 3.62Å; D637-R667 PolarHBondContact OD1-NH2 3.43Å; D637-R667 IonicContact OD2-CZ 3.22Å; D637-R667 IonicContact OD2-NH1 3.28Å; D637-R667 PolarHBondContact OD2-NH1 2.96Å; D637-R667 IonicContact OD2-NH2 2.69Å; D637-R667 PolarHBondContact OD2-NH2 3.32Å; F638-R667 HydrophobicContact CE2-CB 4.36Å; F638-R667 HydrophobicContact CZ-CB 4.03Å; D664-R667 HydrophobicContact CB-CB 4.08Å; D664-R667 HydrophobicContact CB-CG 4.13Å; D664-R667 PolarHBondContact O-N 3.33Å; D664-R667 PolarHBondContact OD1-N 3.29Å; D664-R667 VanDerWaalsContact OD1-N 3.08Å; R667-A670 PolarHBondContact O-N 2.93Å; R667-A671 PolarHBondContact O-N 2.78Å
668L96.1Very high95Very high1 Ų157.9 Ų57.91%0.00530%0.298CS..Hα-helixtrans-59.9-51.5176.5177.458.8000111.6F602 M609 I635 F638 V663 D664 A670 A671 L672F602-L668 HydrophobicContact CE1-CD2 4.27Å; M609-L668 HydrophobicContact CB-CD1 3.95Å; M609-L668 HydrophobicContact CB-CD2 4.41Å; I635-L668 HydrophobicContact CD1-CD1 3.71Å; F638-L668 HydrophobicContact CE2-CB 4.44Å; V663-L668 HydrophobicContact CG1-CB 4.12Å; V663-L668 HydrophobicContact CG1-CD2 3.91Å; D664-L668 WeakPolarHBondContact O-CB 3.49Å; D664-L668 PolarHBondContact O-N 2.62Å; L668-A670 VanDerWaalsContact C-N 3.29Å; L668-A670 PolarHBondContact O-N 2.9Å; L668-A671 PolarHBondContact O-N 2.87Å; L668-L672 HydrophobicContact CD1-CD1 3.8Å; L668-L672 HydrophobicContact CD1-CG 3.94Å; L668-L672 HydrophobicContact CG-CD1 3.94Å; L668-L672 HydrophobicContact CG-CG 4.43Å; L668-L672 WeakPolarHBondContact O-CB 3.45Å; L668-L672 WeakPolarHBondContact O-CG 3.35Å; L668-L672 PolarHBondContact O-N 3.13Å
669R95.1Very high95.2Very high90 Ų9058.5 Ų58.534%0.3430%0.301SS..Hα-helixtrans-67.2-27179.4-74-163.6-178127.813.7114E606 E665 A673E606-R669 IonicContact OE2-CZ 2.71Å; E606-R669 IonicContact OE2-NE 2.69Å; E606-R669 PolarHBondContact OE2-NE 2.85Å; E606-R669 IonicContact OE2-NH2 2.95Å; E665-R669 WeakPolarHBondContact O-CB 3.45Å; E665-R669 WeakPolarHBondContact O-CG 3.33Å; E665-R669 PolarHBondContact O-N 2.88Å; E665-R669 IonicContact OE1-CZ 2.89Å; E665-R669 VanDerWaalsContact OE1-CZ 3.28Å; E665-R669 IonicContact OE1-NH1 3.18Å; E665-R669 PolarHBondContact OE1-NH1 2.68Å; E665-R669 IonicContact OE1-NH2 2.72Å; E665-R669 PolarHBondContact OE1-NH2 3.49Å; R669-A673 PolarHBondContact O-N 2.62Å
670A96.6Very high95.4Very high60 Ų6058.8 Ų58.850%0.49631%0.305SS..Hα-helixtrans-66.5-50.1171.500000111.2R666 R667 L668 L672 A673R666-A670 VanDerWaalsContact O-CB 3.31Å; R666-A670 WeakPolarHBondContact O-CB 3.45Å; R666-A670 PolarHBondContact O-N 3.05Å; R667-A670 PolarHBondContact O-N 2.93Å; L668-A670 VanDerWaalsContact C-N 3.29Å; L668-A670 PolarHBondContact O-N 2.9Å; A670-L672 VanDerWaalsContact C-N 3.31Å; A670-L672 PolarHBondContact O-N 2.81Å; A670-A673 WeakPolarHBondContact O-CB 2.8Å; A670-A673 PolarHBondContact O-N 3.05Å; A670-A673 VanDerWaalsContact O-N 3.16Å
671A96.1Very high95.5Very high3 Ų363.8 Ų63.83%0.02534%0.339CS..Hα-helixtrans-63.6-34.6177.600000113.1L627 I635 R667 L668 A673L627-A671 HydrophobicContact CD1-CB 4.33Å; I635-A671 HydrophobicContact CD1-CB 3.99Å; I635-A671 HydrophobicContact CG1-CB 4.12Å; I635-A671 HydrophobicContact CG2-CB 3.91Å; R667-A671 PolarHBondContact O-N 2.78Å; L668-A671 PolarHBondContact O-N 2.87Å; A671-A673 VanDerWaalsContact C-N 3.33Å
672L96.1Very high95.4Very high0 Ų064.1 Ų64.10%034%0.337CS..Hα-helixtrans-73.6-20.3176.2-68.9179.9000113.8E606 M609 W624 L627 L668 A670 D674 V675 Y676E606-L672 HydrophobicContact CB-CD1 4.42Å; E606-L672 HydrophobicContact CG-CD1 4.09Å; M609-L672 HydrophobicContact CE-CD2 4.26Å; M609-L672 HydrophobicContact CG-CD2 4.21Å; W624-L672 HydrophobicContact CD2-CD2 3.68Å; W624-L672 HydrophobicContact CE3-CD1 4.39Å; W624-L672 HydrophobicContact CE3-CD2 3.52Å; W624-L672 HydrophobicContact CG-CD2 4.3Å; W624-L672 HydrophobicContact CH2-CD1 3.97Å; W624-L672 HydrophobicContact CH2-CD2 4.01Å; W624-L672 HydrophobicContact CH2-CG 4.41Å; W624-L672 HydrophobicContact CZ2-CD2 4.17Å; W624-L672 HydrophobicContact CZ3-CD1 3.75Å; W624-L672 HydrophobicContact CZ3-CD2 3.68Å; W624-L672 HydrophobicContact CZ3-CG 4.3Å; L627-L672 HydrophobicContact CD1-CD2 3.94Å; L668-L672 HydrophobicContact CD1-CD1 3.8Å; L668-L672 HydrophobicContact CD1-CG 3.94Å; L668-L672 HydrophobicContact CG-CD1 3.94Å; L668-L672 HydrophobicContact CG-CG 4.43Å; L668-L672 WeakPolarHBondContact O-CB 3.45Å; L668-L672 WeakPolarHBondContact O-CG 3.35Å; L668-L672 PolarHBondContact O-N 3.13Å; A670-L672 VanDerWaalsContact C-N 3.31Å; A670-L672 PolarHBondContact O-N 2.81Å; L672-D674 VanDerWaalsContact C-N 3.27Å; L672-D674 PolarHBondContact O-N 3.5Å; L672-V675 HydrophobicContact CD2-CG2 4.11Å; L672-V675 PolarHBondContact O-N 2.96Å; L672-Y676 HydrophobicContact CB-CD2 4.2Å; L672-Y676 HydrophobicContact CB-CE2 4.35Å; L672-Y676 WeakPolarHBondContact O-CB 3.38Å; L672-Y676 VanDerWaalsContact O-CD2 3.26Å; L672-Y676 WeakPolarHBondContact O-CD2 3.33Å; L672-Y676 PolarHBondContact O-N 2.91Å
673A96.1Very high95.5Very high55 Ų5562.1 Ų62.146%0.45533%0.329SS..Hα-helixtrans-63.5-35.3-179.500000112.3R669 A670 A671R669-A673 PolarHBondContact O-N 2.62Å; A670-A673 WeakPolarHBondContact O-CB 2.8Å; A670-A673 PolarHBondContact O-N 3.05Å; A670-A673 VanDerWaalsContact O-N 3.16Å; A671-A673 VanDerWaalsContact C-N 3.33Å
674D93.7Very high95.5Very high133 Ų13365.8 Ų65.871%0.71135%0.351SS*.Hα-helixtrans-73.3-30.7-178.2-60.4-34.6000112.7L672L672-D674 VanDerWaalsContact C-N 3.27Å; L672-D674 PolarHBondContact O-N 3.5Å
675V95.3Very high95.5Very high19 Ų1968 Ų6812%0.11535%0.354CS..Hα-helixtrans-104.80.8-178.9-64.50000114W624 L627 L672 D678W624-V675 HydrophobicContact CD2-CG2 4.49Å; W624-V675 HydrophobicContact CG-CG2 4.11Å; W624-V675 PolarHBondContact NE1-O 3.23Å; L627-V675 HydrophobicContact CD1-CG2 3.76Å; L672-V675 HydrophobicContact CD2-CG2 4.11Å; L672-V675 PolarHBondContact O-N 2.96Å; V675-D678 WeakPolarHBondContact CA-OD2 3.32Å; V675-D678 PolarHBondContact O-N 3.22Å
676Y95.9Very high95.6Very high56 Ų5667.4 Ų67.422%0.2235%0.35CS..G310 helixtrans-64.5-34.9174.5-118.2-60.4000114.1K603 E606 W624 L672 D678 L679 N687K603-Y676 VanDerWaalsContact CD-OH 3.3Å; K603-Y676 WeakPolarHBondContact CD-OH 3.37Å; K603-Y676 WeakPolarHBondContact CE-OH 3.27Å; K603-Y676 PolarHBondContact NZ-OH 2.89Å; E606-Y676 PolarHBondContact OE1-OH 2.93Å; W624-Y676 HydrophobicContact CH2-CD2 4.49Å; W624-Y676 HydrophobicContact CH2-CE1 4.15Å; W624-Y676 HydrophobicContact CH2-CE2 4.08Å; W624-Y676 AromaticContact CH2-CZ 3.9Å; W624-Y676 AromaticContact CZ2-CD1 3.97Å; W624-Y676 HydrophobicContact CZ2-CD1 3.97Å; W624-Y676 HydrophobicContact CZ2-CD2 4.17Å; W624-Y676 AromaticContact CZ2-CE1 3.99Å; W624-Y676 HydrophobicContact CZ2-CE1 3.99Å; W624-Y676 HydrophobicContact CZ2-CE2 4.2Å; W624-Y676 HydrophobicContact CZ2-CG 4.07Å; L672-Y676 HydrophobicContact CB-CD2 4.2Å; L672-Y676 HydrophobicContact CB-CE2 4.35Å; L672-Y676 WeakPolarHBondContact O-CB 3.38Å; L672-Y676 VanDerWaalsContact O-CD2 3.26Å; L672-Y676 WeakPolarHBondContact O-CD2 3.33Å; L672-Y676 PolarHBondContact O-N 2.91Å; Y676-D678 VanDerWaalsContact C-N 3.26Å; Y676-D678 PolarHBondContact O-N 2.84Å; Y676-L679 HydrophobicContact CD1-CD1 3.81Å; Y676-L679 HydrophobicContact CE1-CD1 3.95Å; Y676-N687 WeakPolarHBondContact CE1-ND2 3.39Å; Y676-N687 PolarHBondContact OH-ND2 2.88Å
677P96.9Very high95.7Very high108 Ų10857.5 Ų57.570%0.70131%0.314SS*.G310 helixtrans-69-17.9175.9-22.835.6000114.9L679P677-L679 VanDerWaalsContact C-N 3.28Å; P677-L679 PolarHBondContact O-N 3.03Å
678D95.7Very high95.6Very high87 Ų8756 Ų5647%0.46532%0.317SS..G310 helixtrans-78.2-11-175.8-58.1-33.5000113.5T623 V675 Y676 T680T623-D678 WeakPolarHBondContact CB-OD2 3.24Å; T623-D678 HydrophobicContact CG2-CB 4.1Å; T623-D678 WeakPolarHBondContact CG2-OD2 3.38Å; T623-D678 PolarHBondContact OG1-OD2 3.29Å; V675-D678 WeakPolarHBondContact CA-OD2 3.32Å; V675-D678 PolarHBondContact O-N 3.22Å; Y676-D678 VanDerWaalsContact C-N 3.26Å; Y676-D678 PolarHBondContact O-N 2.84Å; D678-T680 PolarHBondContact O-N 3.47Å
679L96.3Very high95.5Very high19 Ų1959.9 Ų59.910%0.09934%0.337CS..  trans-65.1129.6-175.3-63.3-177.5000111.6L605 P621 W624 Y676 P677 E683 V684L605-L679 HydrophobicContact CD1-CD1 4.32Å; L605-L679 HydrophobicContact CD1-CD2 4.05Å; P621-L679 HydrophobicContact CB-CD2 3.92Å; P621-L679 HydrophobicContact CG-CD2 3.45Å; P621-L679 VanDerWaalsContact CG-CD2 3.45Å; W624-L679 HydrophobicContact CZ2-CD1 4.01Å; W624-L679 HydrophobicContact CZ2-CD2 4.16Å; W624-L679 HydrophobicContact CZ2-CG 4.37Å; Y676-L679 HydrophobicContact CD1-CD1 3.81Å; Y676-L679 HydrophobicContact CE1-CD1 3.95Å; P677-L679 VanDerWaalsContact C-N 3.28Å; P677-L679 PolarHBondContact O-N 3.03Å; L679-E683 HydrophobicContact CB-CB 4.23Å; L679-E683 HydrophobicContact CD2-CB 4.09Å; L679-V684 HydrophobicContact CB-CG2 3.71Å; L679-V684 HydrophobicContact CD1-CG2 4.43Å
680T96.6Very high95.3Very high67 Ų6757.4 Ų57.441%0.41134%0.34SS..  trans-64.5159.8170.263.20000111.4D678 D682 E683 V684D678-T680 PolarHBondContact O-N 3.47Å; T680-D682 PolarHBondContact O-N 2.78Å; T680-D682 VanDerWaalsContact O-N 3.09Å; T680-E683 VanDerWaalsContact CB-OE2 3.29Å; T680-E683 WeakPolarHBondContact CB-OE2 3.4Å; T680-E683 WeakPolarHBondContact CG2-OE2 3.34Å; T680-E683 PolarHBondContact N-OE2 3.1Å; T680-E683 PolarHBondContact O-N 3.12Å; T680-E683 VanDerWaalsContact O-N 3.11Å; T680-E683 VanDerWaalsContact OG1-CD 3.31Å; T680-E683 WeakPolarHBondContact OG1-CG 3.4Å; T680-E683 PolarHBondContact OG1-N 3.47Å; T680-E683 PolarHBondContact OG1-OE2 3.25Å; T680-V684 WeakPolarHBondContact O-CG2 3.31Å; T680-V684 PolarHBondContact O-N 2.95Å
681P95.7Very high95.1Very high116 Ų11656 Ų5675%0.75333%0.326SS*.Hα-helixtrans-56-28175.9-26.835.8000114.1R685P681-R685 PolarHBondContact O-N 3.43Å; P681-R685 VanDerWaalsContact O-N 3.07Å
682D93.7Very high95.2Very high59 Ų5956.5 Ų56.532%0.31633%0.329SS..Hα-helixtrans-70.5-49.3175-17382.7000112.2T680 V684 R685 R686T680-D682 PolarHBondContact O-N 2.78Å; T680-D682 VanDerWaalsContact O-N 3.09Å; D682-V684 VanDerWaalsContact C-N 3.28Å; D682-V684 PolarHBondContact O-N 3.44Å; D682-R685 WeakPolarHBondContact O-CB 3.35Å; D682-R685 PolarHBondContact O-N 2.96Å; D682-R685 VanDerWaalsContact O-N 3.11Å; D682-R685 IonicContact OD1-CZ 3.74Å; D682-R685 IonicContact OD1-NH1 3.55Å; D682-R685 PolarHBondContact OD1-NH1 3.47Å; D682-R685 IonicContact OD1-NH2 3.64Å; D682-R685 PolarHBondContact OD1-NH2 3.03Å; D682-R685 IonicContact OD2-NH2 2.8Å; D682-R686 PolarHBondContact O-N 3.45Å; D682-R686 IonicContact OD2-CZ 3.99Å; D682-R686 VanDerWaalsContact OD2-CZ 3.25Å; D682-R686 IonicContact OD2-NE 3.04Å; D682-R686 PolarHBondContact OD2-NE 3.19Å; D682-R686 IonicContact OD2-NH2 2.61Å; D682-R686 PolarHBondContact OD2-NH2 3.2Å
683E95.8Very high95.3Very high18 Ų1856.9 Ų56.98%0.08433%0.331CS..Hα-helixtrans-65.3-33.7176.1-66.5159.3130.500111.3L605 P621 L679 T680 R686 N687L605-E683 HydrophobicContact CD1-CB 4.35Å; P621-E683 VanDerWaalsContact CA-OE1 3.27Å; P621-E683 WeakPolarHBondContact CA-OE1 3.28Å; P621-E683 WeakPolarHBondContact CB-OE1 3.16Å; P621-E683 HydrophobicContact CG-CG 4.41Å; P621-E683 VanDerWaalsContact CG-OE1 3.29Å; P621-E683 WeakPolarHBondContact CG-OE1 3.39Å; L679-E683 HydrophobicContact CB-CB 4.23Å; L679-E683 HydrophobicContact CD2-CB 4.09Å; T680-E683 VanDerWaalsContact CB-OE2 3.29Å; T680-E683 WeakPolarHBondContact CB-OE2 3.4Å; T680-E683 WeakPolarHBondContact CG2-OE2 3.34Å; T680-E683 PolarHBondContact N-OE2 3.1Å; T680-E683 PolarHBondContact O-N 3.12Å; T680-E683 VanDerWaalsContact O-N 3.11Å; T680-E683 VanDerWaalsContact OG1-CD 3.31Å; T680-E683 WeakPolarHBondContact OG1-CG 3.4Å; T680-E683 PolarHBondContact OG1-N 3.47Å; T680-E683 PolarHBondContact OG1-OE2 3.25Å; E683-R686 PolarHBondContact O-N 3.05Å; E683-N687 WeakPolarHBondContact O-CB 3.3Å; E683-N687 PolarHBondContact O-N 3.21Å
684V96.2Very high95.4Very high81 Ų8154.3 Ų54.349%0.49131%0.31SS..Hα-helixtrans-63.5-40.9171.3172.80000111.4L679 T680 D682 N687 S688L679-V684 HydrophobicContact CB-CG2 3.71Å; L679-V684 HydrophobicContact CD1-CG2 4.43Å; T680-V684 WeakPolarHBondContact O-CG2 3.31Å; T680-V684 PolarHBondContact O-N 2.95Å; D682-V684 VanDerWaalsContact C-N 3.28Å; D682-V684 PolarHBondContact O-N 3.44Å; V684-N687 PolarHBondContact O-N 3.17Å; V684-S688 PolarHBondContact O-N 3.48Å
685R94.4Very high95.6Very high116 Ų11648 Ų4844%0.43828%0.276SS..Hα-helixtrans-62-52.7173-174.4-171.271.3-102.7-3.2110.7D168 P681 D682 N687 S688D168-R685 IonicContact OD2-CZ 2.76Å; D168-R685 IonicContact OD2-NE 3.35Å; D168-R685 IonicContact OD2-NH2 3.43Å; D168-R685 PolarHBondContact OD2-NH2 2.99Å; P681-R685 PolarHBondContact O-N 3.43Å; P681-R685 VanDerWaalsContact O-N 3.07Å; D682-R685 WeakPolarHBondContact O-CB 3.35Å; D682-R685 PolarHBondContact O-N 2.96Å; D682-R685 VanDerWaalsContact O-N 3.11Å; D682-R685 IonicContact OD1-CZ 3.74Å; D682-R685 IonicContact OD1-NH1 3.55Å; D682-R685 PolarHBondContact OD1-NH1 3.47Å; D682-R685 IonicContact OD1-NH2 3.64Å; D682-R685 PolarHBondContact OD1-NH2 3.03Å; D682-R685 IonicContact OD2-NH2 2.8Å; R685-N687 PolarHBondContact O-N 3.39Å; R685-S688 WeakPolarHBondContact O-CB 3.19Å; R685-S688 PolarHBondContact O-N 3.33Å; R685-S688 PolarHBondContact O-OG 2.69Å
686R94.5Very high95.7Very high22 Ų2247.1 Ų47.18%0.08327%0.27CS..Hα-helixtrans-64.8-20.3179.7-74.7-173.6-72.1134.4-21.2114.1G163 E165 D168 P604 D682 E683G163-R686 PolarHBondContact O-NH1 3.5Å; G163-R686 VanDerWaalsContact O-NH1 3.1Å; E165-R686 VanDerWaalsContact CG-CZ 3.41Å; E165-R686 IonicContact OE1-CZ 3.42Å; E165-R686 IonicContact OE1-NH1 3.29Å; E165-R686 PolarHBondContact OE1-NH1 3.35Å; E165-R686 IonicContact OE1-NH2 2.73Å; E165-R686 PolarHBondContact OE1-NH2 2.95Å; D168-R686 HydrophobicContact CB-CG 4.24Å; D168-R686 VanDerWaalsContact OD2-CG 3.22Å; D168-R686 WeakPolarHBondContact OD2-CG 3.21Å; P604-R686 WeakPolarHBondContact CB-O 3.42Å; P604-R686 WeakPolarHBondContact CG-O 3.37Å; D682-R686 PolarHBondContact O-N 3.45Å; D682-R686 IonicContact OD2-CZ 3.99Å; D682-R686 VanDerWaalsContact OD2-CZ 3.25Å; D682-R686 IonicContact OD2-NE 3.04Å; D682-R686 PolarHBondContact OD2-NE 3.19Å; D682-R686 IonicContact OD2-NH2 2.61Å; D682-R686 PolarHBondContact OD2-NH2 3.2Å; E683-R686 PolarHBondContact O-N 3.05Å
687N96.4Very high95.7Very high6 Ų644.5 Ų44.53%0.03226%0.26CS..THydrogen-bonded Turntrans-95.18.9175-156.126000113.5K603 L605 Y676 E683 V684 R685K603-N687 WeakPolarHBondContact CB-OD1 3.34Å; K603-N687 VanDerWaalsContact CD-O 3.28Å; K603-N687 WeakPolarHBondContact CD-O 3.27Å; L605-N687 HydrophobicContact CB-CB 4.49Å; L605-N687 WeakPolarHBondContact CB-OD1 3.33Å; L605-N687 HydrophobicContact CD1-CB 3.75Å; L605-N687 HydrophobicContact CG-CB 3.78Å; L605-N687 PolarHBondContact N-OD1 2.96Å; Y676-N687 WeakPolarHBondContact CE1-ND2 3.39Å; Y676-N687 PolarHBondContact OH-ND2 2.88Å; E683-N687 WeakPolarHBondContact O-CB 3.3Å; E683-N687 PolarHBondContact O-N 3.21Å; V684-N687 PolarHBondContact O-N 3.17Å; R685-N687 PolarHBondContact O-N 3.39Å
688S94.3Very high95.6Very high59 Ų5944.2 Ų44.241%0.41325%0.245SC..SBendtrans-88.4172.4170.576.10000111.7V684 R685V684-S688 PolarHBondContact O-N 3.48Å; R685-S688 WeakPolarHBondContact O-CB 3.19Å; R685-S688 PolarHBondContact O-N 3.33Å; R685-S688 PolarHBondContact O-OG 2.69Å
689L93.9Very high95.5Very high83 Ų8343 Ų4344%0.43524%0.244SC..  trans-110.7127.9174.2-61.4176.9000108.1S199 P201 P601S199-L689 WeakPolarHBondContact O-CA 3.4Å; P201-L689 HydrophobicContact CG-CD2 4.42Å; P601-L689 HydrophobicContact CG-CD1 4.01Å
690G91.3Very high95.5Very high38 Ų3842.3 Ų42.339%0.39224%0.24SC..  trans-92.8-159.7-176.600000114.1S199S199-G690 PolarHBondContact O-N 2.83Å; S199-G690 WeakPolarHBondContact OG-CA 3.44Å; S199-G690 PolarHBondContact OG-N 2.65Å
691S93.4Very high95.5Very high30 Ų3042.9 Ų42.921%0.2124%0.244CC..  trans-137.8156.2174.7-157.50000108.8V200 F765V200-S691 VanDerWaalsContact CG2-C 3.42Å; S691-F765 PolarHBondContact OG-O 2.83Å
692D96.8Very high95.5Very high15 Ų1537.3 Ų37.38%0.0821%0.209CC..EExtended strand (participates in β ladder)trans-59.8154.4172.9-57.5-42.4000110.7S196 F765S196-D692 WeakPolarHBondContact CA-OD1 3.09Å; S196-D692 WeakPolarHBondContact CB-OD1 2.95Å; S196-D692 PolarHBondContact OG-OD1 3.02Å; D692-F765 HydrophobicContact CB-CB 4.49Å; D692-F765 HydrophobicContact CB-CD1 4.29Å; D692-F765 PolarHBondContact N-O 2.84Å; D692-F765 PolarHBondContact O-N 3.12Å; D692-F765 VanDerWaalsContact O-O 3.08Å
693V97.8Very high95.6Very high8 Ų834.7 Ų34.75%0.04819%0.194CC..EExtended strand (participates in β ladder)trans-122.9123.4179.9-174.10000109.9F194 L195 F695 N762 V763F194-V693 CarbonylContact C-O 3.56Å; F194-V693 WeakPolarHBondContact CA-O 3.41Å; L195-V693 PolarHBondContact N-O 2.75Å; L195-V693 PolarHBondContact O-N 3.22Å; V693-F695 HydrophobicContact CB-CE2 3.79Å; V693-F695 HydrophobicContact CB-CZ 4.28Å; V693-F695 HydrophobicContact CG1-CD2 4.08Å; V693-F695 HydrophobicContact CG1-CE1 4.38Å; V693-F695 HydrophobicContact CG1-CE2 3.36Å; V693-F695 HydrophobicContact CG1-CZ 3.51Å; V693-N762 HydrophobicContact CG1-CB 4.04Å; V693-N762 WeakPolarHBondContact CG1-ND2 3.19Å; V693-V763 WeakPolarHBondContact CA-O 3.36Å
694L98.1Very high95.6Very high1 Ų139.4 Ų39.41%0.00522%0.22CC..EExtended strand (participates in β ladder)trans-95.9129.7175.8168.661.3000109.8A192 V193 F194 L696 L702 I706 L732 N762 V763 F765A192-L694 HydrophobicContact CB-CD1 4.04Å; V193-L694 CarbonylContact O-C 3.54Å; V193-L694 WeakPolarHBondContact O-CA 3.4Å; F194-L694 HydrophobicContact CD1-CB 4.34Å; F194-L694 HydrophobicContact CD1-CD1 4.27Å; F194-L694 HydrophobicContact CD2-CD1 4.26Å; F194-L694 HydrophobicContact CE1-CB 4.29Å; F194-L694 HydrophobicContact CE1-CD1 3.95Å; F194-L694 HydrophobicContact CE1-CD2 4.45Å; F194-L694 HydrophobicContact CE1-CG 4.46Å; F194-L694 HydrophobicContact CE2-CD1 3.94Å; F194-L694 HydrophobicContact CG-CD1 4.42Å; F194-L694 HydrophobicContact CZ-CD1 3.77Å; L694-L696 HydrophobicContact CD1-CD2 3.93Å; L694-L696 HydrophobicContact CG-CD2 4.39Å; L694-L702 HydrophobicContact CD2-CD2 4.11Å; L694-I706 HydrophobicContact CD2-CD1 4.26Å; L694-L732 HydrophobicContact CD2-CD2 4.31Å; L694-N762 CarbonylContact O-C 3.59Å; L694-N762 WeakPolarHBondContact O-CA 3.43Å; L694-V763 HydrophobicContact CB-CG1 3.97Å; L694-V763 HydrophobicContact CD2-CG1 4.27Å; L694-V763 HydrophobicContact CG-CG1 4.33Å; L694-V763 PolarHBondContact N-O 3.16Å; L694-V763 PolarHBondContact O-N 2.91Å; L694-F765 HydrophobicContact CB-CB 3.97Å; L694-F765 HydrophobicContact CD2-CD2 4.48Å
695F98.3Very high95.6Very high0 Ų038.9 Ų38.90%021%0.211CC..EExtended strand (participates in β ladder)trans-117.6138.5175-59.6-102.8000110.9R175 V178 L182 V193 L195 V693 I739 I761 N762R175-F695 HydrophobicContact CB-CE1 4.4Å; R175-F695 HydrophobicContact CB-CZ 4.05Å; R175-F695 HydrophobicContact CG-CZ 3.94Å; V178-F695 HydrophobicContact CB-CG 4.45Å; V178-F695 HydrophobicContact CG1-CB 3.56Å; V178-F695 HydrophobicContact CG1-CD1 3.97Å; V178-F695 HydrophobicContact CG1-CD2 3.92Å; V178-F695 HydrophobicContact CG1-CG 3.55Å; L182-F695 HydrophobicContact CD1-CB 3.57Å; V193-F695 HydrophobicContact CB-CB 4.31Å; V193-F695 PolarHBondContact N-O 2.85Å; V193-F695 PolarHBondContact O-N 2.94Å; L195-F695 HydrophobicContact CB-CE2 3.97Å; L195-F695 HydrophobicContact CD2-CE2 4.43Å; V693-F695 HydrophobicContact CB-CE2 3.79Å; V693-F695 HydrophobicContact CB-CZ 4.28Å; V693-F695 HydrophobicContact CG1-CD2 4.08Å; V693-F695 HydrophobicContact CG1-CE1 4.38Å; V693-F695 HydrophobicContact CG1-CE2 3.36Å; V693-F695 HydrophobicContact CG1-CZ 3.51Å; F695-I739 HydrophobicContact CE1-CD1 4.29Å; F695-I761 WeakPolarHBondContact CA-O 3.28Å; F695-N762 HydrophobicContact CD1-CB 3.35Å; F695-N762 HydrophobicContact CE1-CB 3.37Å; F695-N762 HydrophobicContact CG-CB 3.95Å; F695-N762 HydrophobicContact CZ-CB 3.98Å
696L97.6Very high95.6Very high0 Ų033.4 Ų33.40%019%0.191CC..EExtended strand (participates in β ladder)trans-133.2144.7176.5-57.5-177.7000111.1A192 L694 H700 L702 F703 I706 A760 I761A192-L696 HydrophobicContact CB-CD2 3.96Å; L694-L696 HydrophobicContact CD1-CD2 3.93Å; L694-L696 HydrophobicContact CG-CD2 4.39Å; L696-H700 HydrophobicContact CB-CB 4.22Å; L696-H700 HydrophobicContact CD2-CB 4.32Å; L696-L702 HydrophobicContact CD1-CB 3.63Å; L696-L702 HydrophobicContact CD1-CD2 4.14Å; L696-L702 HydrophobicContact CD1-CG 3.93Å; L696-F703 HydrophobicContact CB-CD2 4.49Å; L696-I706 HydrophobicContact CD1-CD1 3.58Å; L696-I706 HydrophobicContact CG-CD1 4.21Å; L696-A760 CarbonylContact O-C 3.42Å; L696-A760 VanDerWaalsContact O-CA 3.26Å; L696-A760 WeakPolarHBondContact O-CA 3.4Å; L696-I761 HydrophobicContact CB-CG2 4.29Å; L696-I761 PolarHBondContact N-O 2.83Å; L696-I761 PolarHBondContact O-N 3.04Å
697G96.4Very high95.7Very high1 Ų134 Ų341%0.0119%0.194CC..EExtended strand (participates in β ladder)trans-83155.1165.100000112.3S699 H700G697-S699 PolarHBondContact O-N 2.83Å; G697-H700 PolarHBondContact O-N 3.42Å
698R95Very high95.6Very high103 Ų10338.5 Ų38.539%0.38922%0.215SC..THydrogen-bonded Turntrans-48.4-9.8179.7174.4167.6-76.4175.1-10.2117.5F703 D742 S759R698-F703 HydrophobicContact CB-CE1 4.4Å; R698-F703 HydrophobicContact CB-CE2 4.15Å; R698-F703 HydrophobicContact CB-CZ 4.1Å; R698-F703 HydrophobicContact CG-CE1 4.39Å; R698-F703 HydrophobicContact CG-CZ 4.46Å; R698-D742 IonicContact CZ-OD1 3.35Å; R698-D742 IonicContact CZ-OD2 2.81Å; R698-D742 IonicContact NH1-OD1 2.71Å; R698-D742 PolarHBondContact NH1-OD1 3.45Å; R698-D742 IonicContact NH1-OD2 2.59Å; R698-D742 IonicContact NH2-OD1 3.53Å; R698-D742 PolarHBondContact NH2-OD1 3.24Å; R698-D742 IonicContact NH2-OD2 2.83Å; R698-D742 PolarHBondContact NH2-OD2 2.95Å; R698-S759 WeakPolarHBondContact CB-O 3.49Å; R698-S759 PolarHBondContact N-O 2.76Å
699S93.4Very high95.6Very high61 Ų6136.7 Ų36.743%0.42720%0.201SC..THydrogen-bonded Turntrans-112.80.1178-61.50000114.8K189 G697K189-S699 WeakPolarHBondContact CE-OG 3.3Å; G697-S699 PolarHBondContact O-N 2.83Å
700H96.3Very high95.6Very high5 Ų534.2 Ų34.22%0.02319%0.186CC..SBendtrans-74.9136.3173.2-177.1-82.5000110.3L696 G697 L702 F703 L724L696-H700 HydrophobicContact CB-CB 4.22Å; L696-H700 HydrophobicContact CD2-CB 4.32Å; G697-H700 PolarHBondContact O-N 3.42Å; H700-L702 VanDerWaalsContact C-N 3.26Å; H700-L702 WeakPolarHBondContact ND1-CB 3.43Å; H700-L702 PolarHBondContact ND1-N 2.77Å; H700-L702 VanDerWaalsContact ND1-N 3.18Å; H700-L702 PolarHBondContact O-N 3.25Å; H700-L702 VanDerWaalsContact O-N 3.1Å; H700-F703 WeakPolarHBondContact O-CB 3.43Å; H700-F703 PolarHBondContact O-N 2.95Å; H700-L724 PolarHBondContact CE1-O 2.98Å
701P95.7Very high95.6Very high78 Ų7840 Ų4051%0.50620%0.196SC..THydrogen-bonded Turntrans-58.2-30-172.3-27.135.4000115.9F703 L724P701-F703 VanDerWaalsContact C-N 3.29Å; P701-F703 PolarHBondContact O-N 3.29Å; P701-L724 HydrophobicContact CB-CB 4.35Å; P701-L724 HydrophobicContact CB-CD2 4.05Å
702L96.1Very high95.5Very high0 Ų041.5 Ų41.50%021%0.207CC..THydrogen-bonded Turntrans-75.8-8.7176.1-173.166000114.1L694 L696 H700 D704 F705 I706 V720 L724 C725L694-L702 HydrophobicContact CD2-CD2 4.11Å; L696-L702 HydrophobicContact CD1-CB 3.63Å; L696-L702 HydrophobicContact CD1-CD2 4.14Å; L696-L702 HydrophobicContact CD1-CG 3.93Å; H700-L702 VanDerWaalsContact C-N 3.26Å; H700-L702 WeakPolarHBondContact ND1-CB 3.43Å; H700-L702 PolarHBondContact ND1-N 2.77Å; H700-L702 VanDerWaalsContact ND1-N 3.18Å; H700-L702 PolarHBondContact O-N 3.25Å; H700-L702 VanDerWaalsContact O-N 3.1Å; L702-D704 PolarHBondContact O-N 2.93Å; L702-F705 HydrophobicContact CD1-CB 4.11Å; L702-F705 HydrophobicContact CD1-CD1 3.71Å; L702-F705 HydrophobicContact CD1-CE1 4.5Å; L702-F705 HydrophobicContact CD1-CG 4.19Å; L702-F705 PolarHBondContact O-N 2.76Å; L702-I706 HydrophobicContact CD2-CD1 4.16Å; L702-I706 HydrophobicContact CG-CD1 4.07Å; L702-I706 HydrophobicContact CG-CG1 4.22Å; L702-I706 PolarHBondContact O-N 3.05Å; L702-V720 HydrophobicContact CD1-CG1 4.34Å; L702-V720 HydrophobicContact CD2-CG1 3.95Å; L702-L724 HydrophobicContact CB-CB 4.07Å; L702-L724 HydrophobicContact CD1-CB 4.05Å; L702-L724 HydrophobicContact CD1-CD1 4.26Å; L702-C725 HydrophobicContact CD2-CB 4.11Å
703F96.5Very high95Very high4 Ų447.1 Ų47.12%0.01823%0.232CC..Hα-helixtrans-58.8-51.6-173.7179.2-88.9000113.1L696 R698 H700 P701 F705 I706 H707 P741 I761L696-F703 HydrophobicContact CB-CD2 4.49Å; R698-F703 HydrophobicContact CB-CE1 4.4Å; R698-F703 HydrophobicContact CB-CE2 4.15Å; R698-F703 HydrophobicContact CB-CZ 4.1Å; R698-F703 HydrophobicContact CG-CE1 4.39Å; R698-F703 HydrophobicContact CG-CZ 4.46Å; H700-F703 WeakPolarHBondContact O-CB 3.43Å; H700-F703 PolarHBondContact O-N 2.95Å; P701-F703 VanDerWaalsContact C-N 3.29Å; P701-F703 PolarHBondContact O-N 3.29Å; F703-F705 VanDerWaalsContact C-N 3.26Å; F703-F705 PolarHBondContact O-N 2.76Å; F703-I706 PolarHBondContact O-N 3.32Å; F703-H707 HydrophobicContact CE1-CB 4.4Å; F703-H707 AromaticContact CE1-ND1 3.86Å; F703-H707 WeakPolarHBondContact O-CB 3.48Å; F703-H707 PolarHBondContact O-N 3.19Å; F703-P741 HydrophobicContact CE2-CB 4.49Å; F703-P741 HydrophobicContact CZ-CB 3.9Å; F703-P741 HydrophobicContact CZ-CG 3.96Å; F703-I761 HydrophobicContact CD2-CB 4.2Å; F703-I761 HydrophobicContact CD2-CG2 3.4Å; F703-I761 VanDerWaalsContact CD2-CG2 3.4Å; F703-I761 HydrophobicContact CE2-CB 3.72Å; F703-I761 HydrophobicContact CE2-CG2 3.47Å; F703-I761 VanDerWaalsContact CE2-CG2 3.47Å; F703-I761 HydrophobicContact CG-CG2 4.34Å; F703-I761 HydrophobicContact CZ-CB 4.46Å; F703-I761 HydrophobicContact CZ-CG2 4.44Å
704D95.5Very high94.2Very high117 Ų11749.1 Ų49.163%0.62624%0.244SC*.Hα-helixtrans-65-30.8-176.5-69.2-38.2000112.4L702 E708L702-D704 PolarHBondContact O-N 2.93Å; D704-E708 WeakPolarHBondContact O-CB 3.36Å; D704-E708 PolarHBondContact O-N 3.46Å
705F95.5Very high93.2Very high69 Ų6958.8 Ų58.830%0.30328%0.281SS..Hα-helixtrans-64.8-47.4174.6179.8-100.4000111.6L702 F703 E708 L709 A718 P721 L724 L732L702-F705 HydrophobicContact CD1-CB 4.11Å; L702-F705 HydrophobicContact CD1-CD1 3.71Å; L702-F705 HydrophobicContact CD1-CE1 4.5Å; L702-F705 HydrophobicContact CD1-CG 4.19Å; L702-F705 PolarHBondContact O-N 2.76Å; F703-F705 VanDerWaalsContact C-N 3.26Å; F703-F705 PolarHBondContact O-N 2.76Å; F705-E708 PolarHBondContact O-N 3.06Å; F705-L709 HydrophobicContact CD1-CD1 4.23Å; F705-L709 HydrophobicContact CE1-CD1 3.91Å; F705-L709 HydrophobicContact CZ-CD1 4.5Å; F705-L709 WeakPolarHBondContact O-CG 3.49Å; F705-L709 PolarHBondContact O-N 3.36Å; F705-L709 VanDerWaalsContact O-N 3.17Å; F705-A718 HydrophobicContact CZ-CB 4.42Å; F705-P721 HydrophobicContact CD2-CG 4.29Å; F705-P721 HydrophobicContact CE1-CG 4.29Å; F705-P721 HydrophobicContact CE2-CG 4.08Å; F705-P721 HydrophobicContact CG-CG 4.49Å; F705-P721 HydrophobicContact CZ-CG 4.07Å; F705-L724 HydrophobicContact CB-CD1 4.47Å; F705-L732 HydrophobicContact CD1-CD1 4.43Å; F705-L732 HydrophobicContact CE1-CD1 4.17Å
706I95.5Very high92.5Very high1 Ų166.4 Ų66.41%0.00532%0.317CS..Hα-helixtrans-66.8-41.4177.5-63.9177.1000110.9L694 L696 L702 F703 E708 L709 Y710 L732 I761 V763L694-I706 HydrophobicContact CD2-CD1 4.26Å; L696-I706 HydrophobicContact CD1-CD1 3.58Å; L696-I706 HydrophobicContact CG-CD1 4.21Å; L702-I706 HydrophobicContact CD2-CD1 4.16Å; L702-I706 HydrophobicContact CG-CD1 4.07Å; L702-I706 HydrophobicContact CG-CG1 4.22Å; L702-I706 PolarHBondContact O-N 3.05Å; F703-I706 PolarHBondContact O-N 3.32Å; I706-E708 VanDerWaalsContact C-N 3.29Å; I706-E708 PolarHBondContact O-N 2.85Å; I706-L709 WeakPolarHBondContact O-CB 3.08Å; I706-L709 PolarHBondContact O-N 3.02Å; I706-Y710 HydrophobicContact CG2-CD2 4.15Å; I706-Y710 HydrophobicContact CG2-CE2 3.88Å; I706-Y710 WeakPolarHBondContact O-CD2 3.17Å; I706-Y710 PolarHBondContact O-N 3.39Å; I706-L732 HydrophobicContact CD1-CD1 4.28Å; I706-L732 HydrophobicContact CG1-CD1 3.95Å; I706-I761 HydrophobicContact CG2-CD1 4.01Å; I706-I761 HydrophobicContact CG2-CG1 4.22Å; I706-I761 HydrophobicContact CG2-CG2 4.26Å; I706-V763 HydrophobicContact CD1-CB 4.46Å; I706-V763 HydrophobicContact CD1-CG1 3.73Å; I706-V763 HydrophobicContact CG1-CG1 4.4Å; I706-V763 HydrophobicContact CG2-CB 3.86Å; I706-V763 HydrophobicContact CG2-CG1 4.27Å; I706-V763 HydrophobicContact CG2-CG2 4.28Å
707H95.3Very high92.1Very high35 Ų3571.4 Ų71.416%0.16234%0.34CS..Hα-helixtrans-60.6-38.7178-172.9-172.8000111.8F703 R711 I761F703-H707 HydrophobicContact CE1-CB 4.4Å; F703-H707 AromaticContact CE1-ND1 3.86Å; F703-H707 WeakPolarHBondContact O-CB 3.48Å; F703-H707 PolarHBondContact O-N 3.19Å; H707-R711 PolarHBondContact CD2-NE 3.11Å; H707-R711 PolarHBondContact CE1-NH2 2.98Å; H707-R711 PolarHBondContact NE2-NE 2.81Å; H707-R711 VanDerWaalsContact NE2-NE 3.11Å; H707-R711 PolarHBondContact NE2-NH2 2.85Å; H707-R711 WeakPolarHBondContact O-CD 3.36Å; H707-R711 WeakPolarHBondContact O-CG 3.38Å; H707-R711 PolarHBondContact O-N 3.32Å; H707-I761 HydrophobicContact CB-CD1 3.94Å
708E94.4Very high91.9Very high101 Ų10172.1 Ų72.147%0.47235%0.346SS..Hα-helixtrans-71.5-35.2176.4-158.463.8-166.400112.6D704 F705 I706 Y710 R711 S712D704-E708 WeakPolarHBondContact O-CB 3.36Å; D704-E708 PolarHBondContact O-N 3.46Å; F705-E708 PolarHBondContact O-N 3.06Å; I706-E708 VanDerWaalsContact C-N 3.29Å; I706-E708 PolarHBondContact O-N 2.85Å; E708-Y710 VanDerWaalsContact C-N 3.29Å; E708-Y710 PolarHBondContact O-N 3.39Å; E708-R711 PolarHBondContact O-N 3.09Å; E708-R711 VanDerWaalsContact O-N 3.11Å; E708-R711 WeakPolarHBondContact OE2-CD 3.5Å; E708-R711 IonicContact OE2-CZ 2.87Å; E708-R711 IonicContact OE2-NE 3.88Å; E708-R711 IonicContact OE2-NH1 2.68Å; E708-R711 PolarHBondContact OE2-NH1 3.2Å; E708-S712 PolarHBondContact O-N 3.41Å; E708-S712 PolarHBondContact O-OG 3.47Å
709L93.8Very high91.8Very high20 Ų2073.2 Ų73.211%0.10536%0.359CS..Hα-helixtrans-57.5-38.5174-70.4173.9000113F705 I706 S712 E713 T714 A718 L732 L734F705-L709 HydrophobicContact CD1-CD1 4.23Å; F705-L709 HydrophobicContact CE1-CD1 3.91Å; F705-L709 HydrophobicContact CZ-CD1 4.5Å; F705-L709 WeakPolarHBondContact O-CG 3.49Å; F705-L709 PolarHBondContact O-N 3.36Å; F705-L709 VanDerWaalsContact O-N 3.17Å; I706-L709 WeakPolarHBondContact O-CB 3.08Å; I706-L709 PolarHBondContact O-N 3.02Å; L709-S712 PolarHBondContact O-OG 2.83Å; L709-E713 PolarHBondContact O-N 3.41Å; L709-T714 HydrophobicContact CD2-CG2 4.42Å; L709-T714 PolarHBondContact O-N 3.29Å; L709-T714 VanDerWaalsContact O-N 3.12Å; L709-A718 HydrophobicContact CD1-CB 3.73Å; L709-A718 HydrophobicContact CD2-CB 3.82Å; L709-A718 HydrophobicContact CG-CB 4.46Å; L709-L732 HydrophobicContact CD1-CD1 4.23Å; L709-L734 HydrophobicContact CB-CD2 4.08Å
710Y94.3Very high91.9Very high32 Ų3270.6 Ų70.613%0.12534%0.34CS..Hα-helixtrans-69.7-42.8173.7-78.9-76.1000112.1I706 E708 S712 E713 L734 D735 P738 L740 I761 N762 V763I706-Y710 HydrophobicContact CG2-CD2 4.15Å; I706-Y710 HydrophobicContact CG2-CE2 3.88Å; I706-Y710 WeakPolarHBondContact O-CD2 3.17Å; I706-Y710 PolarHBondContact O-N 3.39Å; E708-Y710 VanDerWaalsContact C-N 3.29Å; E708-Y710 PolarHBondContact O-N 3.39Å; Y710-S712 VanDerWaalsContact C-N 3.31Å; Y710-S712 PolarHBondContact O-N 3.36Å; Y710-E713 PolarHBondContact O-N 2.94Å; Y710-E713 VanDerWaalsContact O-N 3.12Å; Y710-L734 HydrophobicContact CD1-CB 4.4Å; Y710-L734 HydrophobicContact CD1-CD2 3.82Å; Y710-L734 HydrophobicContact CD1-CG 4.46Å; Y710-L734 HydrophobicContact CD2-CD2 4.35Å; Y710-L734 HydrophobicContact CE1-CB 3.92Å; Y710-L734 HydrophobicContact CE1-CD2 3.91Å; Y710-L734 HydrophobicContact CE1-CG 4.4Å; Y710-L734 HydrophobicContact CE2-CD2 4.45Å; Y710-L734 HydrophobicContact CG-CD2 4.04Å; Y710-D735 WeakPolarHBondContact OH-CB 3.33Å; Y710-D735 PolarHBondContact OH-N 2.99Å; Y710-D735 VanDerWaalsContact OH-N 3.08Å; Y710-P738 HydrophobicContact CE1-CB 3.71Å; Y710-P738 HydrophobicContact CE1-CG 4.01Å; Y710-L740 HydrophobicContact CD1-CD2 4.18Å; Y710-L740 HydrophobicContact CD2-CD2 4.13Å; Y710-L740 HydrophobicContact CE1-CD2 4.47Å; Y710-L740 HydrophobicContact CE2-CD2 4.4Å; Y710-L740 HydrophobicContact CG-CD2 4.02Å; Y710-I761 HydrophobicContact CD2-CD1 4.01Å; Y710-I761 HydrophobicContact CE2-CD1 4.33Å; Y710-I761 HydrophobicContact CE2-CG1 4.35Å; Y710-N762 WeakPolarHBondContact CE2-O 3.47Å; Y710-N762 VanDerWaalsContact CZ-O 3.31Å; Y710-N762 PolarHBondContact OH-O 3Å; Y710-V763 HydrophobicContact CE2-CB 4.48Å; Y710-V763 HydrophobicContact CE2-CG2 4.49Å
711R92.6Very high91.7Very high159 Ų15972 Ų7260%0.635%0.35SS*.Hα-helixtrans-64.9-32.3179.3-71.3164167.6-167-5.3113.6H707 E708 E713H707-R711 PolarHBondContact CD2-NE 3.11Å; H707-R711 PolarHBondContact CE1-NH2 2.98Å; H707-R711 PolarHBondContact NE2-NE 2.81Å; H707-R711 VanDerWaalsContact NE2-NE 3.11Å; H707-R711 PolarHBondContact NE2-NH2 2.85Å; H707-R711 WeakPolarHBondContact O-CD 3.36Å; H707-R711 WeakPolarHBondContact O-CG 3.38Å; H707-R711 PolarHBondContact O-N 3.32Å; E708-R711 PolarHBondContact O-N 3.09Å; E708-R711 VanDerWaalsContact O-N 3.11Å; E708-R711 WeakPolarHBondContact OE2-CD 3.5Å; E708-R711 IonicContact OE2-CZ 2.87Å; E708-R711 IonicContact OE2-NE 3.88Å; E708-R711 IonicContact OE2-NH1 2.68Å; E708-R711 PolarHBondContact OE2-NH1 3.2Å; R711-E713 VanDerWaalsContact C-N 3.3Å
712S90.7Very high91.4Very high62 Ų6268.6 Ų68.643%0.43433%0.328SS..THydrogen-bonded Turntrans-86.61.917661.90000113.5E708 L709 Y710 T714E708-S712 PolarHBondContact O-N 3.41Å; E708-S712 PolarHBondContact O-OG 3.47Å; L709-S712 PolarHBondContact O-OG 2.83Å; Y710-S712 VanDerWaalsContact C-N 3.31Å; Y710-S712 PolarHBondContact O-N 3.36Å; S712-T714 WeakPolarHBondContact CB-OG1 3.44Å; S712-T714 PolarHBondContact O-N 3.44Å; S712-T714 PolarHBondContact O-OG1 2.84Å; S712-T714 PolarHBondContact OG-OG1 2.8Å
713E87Confident91.1Very high132 Ų13276.1 Ų76.162%0.61736%0.363SS*.THydrogen-bonded Turntrans43.835.1-171.1-68-169.2-144.800113.3L709 Y710 R711 R715L709-E713 PolarHBondContact O-N 3.41Å; Y710-E713 PolarHBondContact O-N 2.94Å; Y710-E713 VanDerWaalsContact O-N 3.12Å; R711-E713 VanDerWaalsContact C-N 3.3Å; E713-R715 WeakPolarHBondContact O-CG 3.3Å; E713-R715 PolarHBondContact O-N 3.31Å; E713-R715 IonicContact OE2-NH2 2.69Å
714T79.8Confident91Very high50 Ų5078.6 Ų78.631%0.30738%0.376SS..  trans-73.6106.4-171.5-63.20000110.9L709 S712 E716L709-T714 HydrophobicContact CD2-CG2 4.42Å; L709-T714 PolarHBondContact O-N 3.29Å; L709-T714 VanDerWaalsContact O-N 3.12Å; S712-T714 WeakPolarHBondContact CB-OG1 3.44Å; S712-T714 PolarHBondContact O-N 3.44Å; S712-T714 PolarHBondContact O-OG1 2.84Å; S712-T714 PolarHBondContact OG-OG1 2.8Å; T714-E716 HydrophobicContact CG2-CB 4.26Å
715R78.4Confident90.8Very high205 Ų20573 Ų7377%0.77435%0.347SS*.  trans-86.9-1.8-179.1-54.2-170.3-174.4-158.4-2.1114.3E713E713-R715 WeakPolarHBondContact O-CG 3.3Å; E713-R715 PolarHBondContact O-N 3.31Å; E713-R715 IonicContact OE2-NH2 2.69Å
716E83.6Confident90.5Very high160 Ų16074.2 Ų74.275%0.74835%0.353SS*.SBendtrans-76.3152.1173.8-60.7-171.6166.500110.9T714 A718T714-E716 HydrophobicContact CG2-CB 4.26Å; E716-A718 PolarHBondContact O-N 3.2Å
717E87.3Confident90.3Very high105 Ų10574.5 Ų74.549%0.49136%0.357SS..  trans-70.4109.5179.1-78.8-178.5-178.700111.1T731 N733 R766E717-T731 HydrophobicContact CB-CG2 4.36Å; E717-N733 VanDerWaalsContact CG-ND2 3.3Å; E717-N733 WeakPolarHBondContact CG-ND2 3.42Å; E717-R766 VanDerWaalsContact CD-NH1 3.35Å; E717-R766 IonicContact OE1-CZ 3.41Å; E717-R766 IonicContact OE1-NH1 2.86Å; E717-R766 PolarHBondContact OE1-NH1 2.93Å; E717-R766 IonicContact OE1-NH2 2.98Å; E717-R766 PolarHBondContact OE1-NH2 2.92Å; E717-R766 IonicContact OE2-NH1 3.81Å; E717-R766 PolarHBondContact OE2-NH1 3.29Å
718A92.8Very high90.2Very high16 Ų1673.4 Ų73.413%0.13235%0.352CS..EExtended strand (participates in β ladder)trans-89.7131.9-179.600000111.3F705 L709 E716 T731 L732F705-A718 HydrophobicContact CZ-CB 4.42Å; L709-A718 HydrophobicContact CD1-CB 3.73Å; L709-A718 HydrophobicContact CD2-CB 3.82Å; L709-A718 HydrophobicContact CG-CB 4.46Å; E716-A718 PolarHBondContact O-N 3.2Å; A718-T731 CarbonylContact O-C 3.55Å; A718-T731 WeakPolarHBondContact O-CA 3.41Å; A718-L732 HydrophobicContact CB-CB 4.46Å; A718-L732 PolarHBondContact N-O 2.96Å; A718-L732 VanDerWaalsContact N-O 3.16Å; A718-L732 PolarHBondContact O-N 3.35Å
719L94.1Very high90.2Very high126 Ų12670.7 Ų70.766%0.6634%0.339SS*.EExtended strand (participates in β ladder)trans-80.9137.3175.7-69.9171.2000111.4P721 G730 T731L719-P721 VanDerWaalsContact O-CD 3.29Å; L719-P721 WeakPolarHBondContact O-CD 3.45Å; L719-G730 WeakPolarHBondContact CA-O 3.29Å; L719-T731 HydrophobicContact CD2-CG2 3.77Å
720V93.9Very high90.3Very high5 Ų569.9 Ų69.93%0.0334%0.336CS..PPolyproline II helixtrans-65.1121.5172.3177.40000110.2L702 A722 C725 G730 L732 F765L702-V720 HydrophobicContact CD1-CG1 4.34Å; L702-V720 HydrophobicContact CD2-CG1 3.95Å; V720-A722 PolarHBondContact O-N 2.91Å; V720-C725 HydrophobicContact CG1-CB 3.81Å; V720-G730 PolarHBondContact N-O 3.26Å; V720-L732 HydrophobicContact CG2-CD1 4.06Å; V720-L732 HydrophobicContact CG2-CD2 3.65Å; V720-L732 HydrophobicContact CG2-CG 3.74Å; V720-F765 HydrophobicContact CG2-CE2 4.28Å
721P93.1Very high90.4Very high35 Ų3569.4 Ų69.423%0.22734%0.336CS..PPolyproline II helixtrans-67.4117.2170.5-19.734.2000110.1F705 L719 E723 L724F705-P721 HydrophobicContact CD2-CG 4.29Å; F705-P721 HydrophobicContact CE1-CG 4.29Å; F705-P721 HydrophobicContact CE2-CG 4.08Å; F705-P721 HydrophobicContact CG-CG 4.49Å; F705-P721 HydrophobicContact CZ-CG 4.07Å; L719-P721 VanDerWaalsContact O-CD 3.29Å; L719-P721 WeakPolarHBondContact O-CD 3.45Å; P721-E723 PolarHBondContact O-N 3.16Å; P721-L724 HydrophobicContact CB-CB 4.44Å; P721-L724 HydrophobicContact CB-CD1 4.01Å; P721-L724 HydrophobicContact CB-CG 4.08Å; P721-L724 HydrophobicContact CG-CD1 4.07Å; P721-L724 PolarHBondContact O-N 3.03Å
722A88.9Confident90.5Very high7 Ų761.9 Ų61.96%0.05831%0.308CS..G310 helixtrans-61.7-31.1-171.100000112.6N220 V720 L724 C725 H726 G727 Q729N220-A722 HydrophobicContact CB-CB 4.07Å; N220-A722 VanDerWaalsContact ND2-CB 3.31Å; N220-A722 WeakPolarHBondContact ND2-CB 3.48Å; V720-A722 PolarHBondContact O-N 2.91Å; A722-L724 VanDerWaalsContact C-N 3.25Å; A722-L724 PolarHBondContact O-N 3.41Å; A722-C725 PolarHBondContact O-N 2.82Å; A722-H726 PolarHBondContact O-N 2.82Å; A722-G727 PolarHBondContact O-N 3.15Å; A722-Q729 HydrophobicContact CB-CG 4.05Å
723E90.8Very high90.7Very high157 Ų15760.6 Ų60.673%0.73430%0.296SS*.G310 helixtrans-65.1-28178.1-57.474.5-164.100112.4P721P721-E723 PolarHBondContact O-N 3.16Å
724L92.9Very high91.1Very high56 Ų5656.3 Ų56.329%0.29328%0.277SS..G310 helixtrans-92.6-7.7-177.8-58.6-177.4000113.5H700 P701 L702 F705 P721 A722H700-L724 PolarHBondContact CE1-O 2.98Å; P701-L724 HydrophobicContact CB-CB 4.35Å; P701-L724 HydrophobicContact CB-CD2 4.05Å; L702-L724 HydrophobicContact CB-CB 4.07Å; L702-L724 HydrophobicContact CD1-CB 4.05Å; L702-L724 HydrophobicContact CD1-CD1 4.26Å; F705-L724 HydrophobicContact CB-CD1 4.47Å; P721-L724 HydrophobicContact CB-CB 4.44Å; P721-L724 HydrophobicContact CB-CD1 4.01Å; P721-L724 HydrophobicContact CB-CG 4.08Å; P721-L724 HydrophobicContact CG-CD1 4.07Å; P721-L724 PolarHBondContact O-N 3.03Å; A722-L724 VanDerWaalsContact C-N 3.25Å; A722-L724 PolarHBondContact O-N 3.41Å
725C92.4Very high91.7Very high1 Ų154.9 Ų54.91%0.00727%0.268CS..THydrogen-bonded Turntrans-137.638.3-175.9-152.20000112.5L702 V720 A722 G727 I728L702-C725 HydrophobicContact CD2-CB 4.11Å; V720-C725 HydrophobicContact CG1-CB 3.81Å; A722-C725 PolarHBondContact O-N 2.82Å; C725-G727 VanDerWaalsContact C-N 3.25Å; C725-G727 PolarHBondContact O-N 2.87Å; C725-G727 VanDerWaalsContact O-N 3.1Å; C725-I728 HydrophobicContact CB-CB 4.26Å; C725-I728 VanDerWaalsContact O-CB 3.26Å; C725-I728 WeakPolarHBondContact O-CB 3.43Å; C725-I728 VanDerWaalsContact O-CG1 3.28Å; C725-I728 WeakPolarHBondContact O-CG1 3.35Å; C725-I728 PolarHBondContact O-N 3.45Å
726H88.7Confident92.3Very high93 Ų9353.5 Ų53.543%0.43127%0.27SS..THydrogen-bonded Turntrans53.732.4174-58.2-77.1000115.9A722A722-H726 PolarHBondContact O-N 2.82Å
727G90.8Very high92.6Very high8 Ų851 Ų518%0.08226%0.262CS..THydrogen-bonded Turntrans91.6-5.9-178.400000115.2N220 A722 C725N220-G727 WeakPolarHBondContact O-CA 3.26Å; A722-G727 PolarHBondContact O-N 3.15Å; C725-G727 VanDerWaalsContact C-N 3.25Å; C725-G727 PolarHBondContact O-N 2.87Å; C725-G727 VanDerWaalsContact O-N 3.1Å
728I93.9Very high92.9Very high11 Ų1147.8 Ų47.86%0.05625%0.25CS..  trans-67.9138.2174.8-59.9167.8000109.3V97 F194 F211 C725V97-I728 HydrophobicContact CG2-CD1 3.42Å; V97-I728 VanDerWaalsContact CG2-CD1 3.42Å; F194-I728 HydrophobicContact CE2-CD1 4.43Å; F194-I728 HydrophobicContact CZ-CG2 4.18Å; F211-I728 HydrophobicContact CZ-CG2 4.49Å; C725-I728 HydrophobicContact CB-CB 4.26Å; C725-I728 VanDerWaalsContact O-CB 3.26Å; C725-I728 WeakPolarHBondContact O-CB 3.43Å; C725-I728 VanDerWaalsContact O-CG1 3.28Å; C725-I728 WeakPolarHBondContact O-CG1 3.35Å; C725-I728 PolarHBondContact O-N 3.45Å
729Q94.5Very high93Very high44 Ų4447.7 Ų47.721%0.20625%0.247CC..  trans-130.6159177.2-51.7-162.6-99.400111Q215 Q218 A722 P768Q215-Q729 PolarHBondContact NE2-O 3.31Å; Q215-Q729 PolarHBondContact OE1-O 3.45Å; Q218-Q729 HydrophobicContact CG-CB 4.22Å; Q218-Q729 HydrophobicContact CG-CG 4.32Å; A722-Q729 HydrophobicContact CB-CG 4.05Å; Q729-P768 HydrophobicContact CB-CG 4.37Å; Q729-P768 VanDerWaalsContact O-CD 3.29Å; Q729-P768 WeakPolarHBondContact O-CD 3.2Å; Q729-P768 VanDerWaalsContact O-CG 3.24Å; Q729-P768 WeakPolarHBondContact O-CG 3.43Å
730G95.4Very high93.1Very high4 Ų443.7 Ų43.74%0.04123%0.226CC..  trans168.1179179.400000110.5L719 V720 R766L719-G730 WeakPolarHBondContact CA-O 3.29Å; V720-G730 PolarHBondContact N-O 3.26Å; G730-R766 WeakPolarHBondContact CA-O 3.4Å
731T96.2Very high93Very high22 Ų2244.1 Ų44.114%0.13523%0.229CC..EExtended strand (participates in β ladder)trans-102.8140.5172.346.20000110.4E717 A718 L719 R766E717-T731 HydrophobicContact CB-CG2 4.36Å; A718-T731 CarbonylContact O-C 3.55Å; A718-T731 WeakPolarHBondContact O-CA 3.41Å; L719-T731 HydrophobicContact CD2-CG2 3.77Å; T731-R766 PolarHBondContact N-O 2.99Å; T731-R766 PolarHBondContact O-N 2.8Å; T731-R766 PolarHBondContact OG1-O 3.35Å
732L95.9Very high92.9Very high1 Ų147.2 Ų47.21%0.00524%0.244CC..EExtended strand (participates in β ladder)trans-109.4143.3176.5-55.3-174.9000110.7L694 F705 I706 L709 A718 V720 V763 K764 F765L694-L732 HydrophobicContact CD2-CD2 4.31Å; F705-L732 HydrophobicContact CD1-CD1 4.43Å; F705-L732 HydrophobicContact CE1-CD1 4.17Å; I706-L732 HydrophobicContact CD1-CD1 4.28Å; I706-L732 HydrophobicContact CG1-CD1 3.95Å; L709-L732 HydrophobicContact CD1-CD1 4.23Å; A718-L732 HydrophobicContact CB-CB 4.46Å; A718-L732 PolarHBondContact N-O 2.96Å; A718-L732 VanDerWaalsContact N-O 3.16Å; A718-L732 PolarHBondContact O-N 3.35Å; V720-L732 HydrophobicContact CG2-CD1 4.06Å; V720-L732 HydrophobicContact CG2-CD2 3.65Å; V720-L732 HydrophobicContact CG2-CG 3.74Å; L732-V763 HydrophobicContact CB-CG2 4.12Å; L732-V763 HydrophobicContact CD1-CG1 4.35Å; L732-V763 HydrophobicContact CD2-CG1 3.88Å; L732-K764 WeakPolarHBondContact CA-O 3.42Å; L732-F765 HydrophobicContact CD2-CB 4.46Å; L732-F765 HydrophobicContact CD2-CD2 3.81Å
733N94.7Very high93Very high35 Ų3552 Ų5219%0.18727%0.265CS..EExtended strand (participates in β ladder)trans-133.8148.2170-67.3111.9000109.5E717 D735 V763 K764E717-N733 VanDerWaalsContact CG-ND2 3.3Å; E717-N733 WeakPolarHBondContact CG-ND2 3.42Å; N733-D735 PolarHBondContact O-N 3.25Å; N733-V763 WeakPolarHBondContact O-CG2 3.46Å; N733-K764 HydrophobicContact CB-CB 4.21Å; N733-K764 PolarHBondContact N-O 2.85Å; N733-K764 WeakPolarHBondContact O-CB 3.47Å; N733-K764 PolarHBondContact O-N 2.74Å
734L95.1Very high93.1Very high41 Ų4148.8 Ų48.822%0.21526%0.256CS..  trans-59.9138.5174.7-52.8-175.8000110.5L709 Y710L709-L734 HydrophobicContact CB-CD2 4.08Å; Y710-L734 HydrophobicContact CD1-CB 4.4Å; Y710-L734 HydrophobicContact CD1-CD2 3.82Å; Y710-L734 HydrophobicContact CD1-CG 4.46Å; Y710-L734 HydrophobicContact CD2-CD2 4.35Å; Y710-L734 HydrophobicContact CE1-CB 3.92Å; Y710-L734 HydrophobicContact CE1-CD2 3.91Å; Y710-L734 HydrophobicContact CE1-CG 4.4Å; Y710-L734 HydrophobicContact CE2-CD2 4.45Å; Y710-L734 HydrophobicContact CG-CD2 4.04Å
735D93.3Very high93.2Very high21 Ų2147 Ų4711%0.11225%0.248CC..  trans-73.8155.3170.6-154.7-14.6000110.4R175 Y710 N733 P738 N762 K764R175-D735 IonicContact CZ-OD2 2.67Å; R175-D735 IonicContact NH2-OD1 3.75Å; R175-D735 IonicContact NH2-OD2 3.32Å; R175-D735 PolarHBondContact NH2-OD2 2.6Å; Y710-D735 WeakPolarHBondContact OH-CB 3.33Å; Y710-D735 PolarHBondContact OH-N 2.99Å; Y710-D735 VanDerWaalsContact OH-N 3.08Å; N733-D735 PolarHBondContact O-N 3.25Å; D735-P738 HydrophobicContact CB-CB 4.18Å; D735-N762 PolarHBondContact OD2-ND2 2.81Å; D735-K764 HydrophobicContact CB-CG 4.3Å; D735-K764 WeakPolarHBondContact OD1-CE 3.35Å; D735-K764 IonicContact OD1-NZ 2.71Å; D735-K764 PolarHBondContact OD1-NZ 2.64Å
736E89.4Confident93.3Very high176 Ų17654.6 Ų54.682%0.82228%0.28SS*.SBendtrans-85.3-25.2177.3-76.7160.3-107.800111.9K764E736-K764 IonicContact OE1-NZ 3.57Å; E736-K764 PolarHBondContact OE1-NZ 2.77Å
737D90.6Very high93.5Very high108 Ų10851.1 Ų51.158%0.57827%0.266SS*.SBendtrans-130.367.8176.5174.360.9000108.9R175R175-D737 IonicContact CZ-OD2 3.24Å; R175-D737 IonicContact NH1-OD2 2.62Å; R175-D737 PolarHBondContact NH1-OD2 3.37Å; R175-D737 PolarHBondContact NH2-O 3.32Å; R175-D737 IonicContact NH2-OD2 2.62Å
738P94.2Very high93.6Very high37 Ų3753.4 Ų53.424%0.2428%0.28CS..  trans-75139.2-171.430.2-35.4000112.8Y710 D735 L740 N762Y710-P738 HydrophobicContact CE1-CB 3.71Å; Y710-P738 HydrophobicContact CE1-CG 4.01Å; D735-P738 HydrophobicContact CB-CB 4.18Å; P738-L740 HydrophobicContact CB-CD2 3.98Å; P738-L740 HydrophobicContact CB-CG 4.05Å; P738-L740 HydrophobicContact CG-CD1 4.21Å; P738-L740 HydrophobicContact CG-CD2 4.25Å; P738-L740 HydrophobicContact CG-CG 4.02Å; P738-L740 PolarHBondContact O-N 2.88Å; P738-N762 VanDerWaalsContact CA-OD1 3.27Å; P738-N762 WeakPolarHBondContact CA-OD1 3.4Å
739I95.3Very high93.4Very high14 Ų1452.9 Ų52.97%0.07228%0.277CS..  trans-78.7106.6160.1-68.5-175.5000107.4R175 A179 F695 V745 N758 I761 N762R175-I739 HydrophobicContact CB-CD1 4.33Å; A179-I739 HydrophobicContact CB-CD1 3.87Å; A179-I739 HydrophobicContact CB-CG2 4Å; F695-I739 HydrophobicContact CE1-CD1 4.29Å; I739-V745 HydrophobicContact CD1-CG1 4.11Å; I739-V745 HydrophobicContact CG1-CG2 4.5Å; I739-V745 HydrophobicContact CG2-CG2 3.8Å; I739-N758 VanDerWaalsContact CG2-ND2 3.28Å; I739-N758 WeakPolarHBondContact CG2-ND2 3.27Å; I739-I761 WeakPolarHBondContact O-CA 3.33Å; I739-N762 PolarHBondContact N-OD1 2.64Å; I739-N762 PolarHBondContact O-N 2.59Å
740L94.5Very high93Very high41 Ų4155.9 Ų55.922%0.21530%0.301CS..  trans-100.9148.3-179.6-65.9179.3000112.2Y710 P738 E743 N758 I761Y710-L740 HydrophobicContact CD1-CD2 4.18Å; Y710-L740 HydrophobicContact CD2-CD2 4.13Å; Y710-L740 HydrophobicContact CE1-CD2 4.47Å; Y710-L740 HydrophobicContact CE2-CD2 4.4Å; Y710-L740 HydrophobicContact CG-CD2 4.02Å; P738-L740 HydrophobicContact CB-CD2 3.98Å; P738-L740 HydrophobicContact CB-CG 4.05Å; P738-L740 HydrophobicContact CG-CD1 4.21Å; P738-L740 HydrophobicContact CG-CD2 4.25Å; P738-L740 HydrophobicContact CG-CG 4.02Å; P738-L740 PolarHBondContact O-N 2.88Å; L740-E743 HydrophobicContact CB-CG 4.22Å; L740-N758 PolarHBondContact O-ND2 3Å; L740-I761 HydrophobicContact CD2-CD1 4.46Å; L740-I761 HydrophobicContact CD2-CG1 4.42Å
741P93.3Very high92.4Very high14 Ų1461 Ų619%0.09133%0.327CS..THydrogen-bonded Turntrans-69151.8-178.630.3-37.2000112.4F703 E743 I761F703-P741 HydrophobicContact CE2-CB 4.49Å; F703-P741 HydrophobicContact CZ-CB 3.9Å; F703-P741 HydrophobicContact CZ-CG 3.96Å; P741-E743 PolarHBondContact O-N 2.89Å; P741-E743 VanDerWaalsContact O-N 3.13Å; P741-I761 HydrophobicContact CG-CD1 4.42Å
742D90.6Very high92.1Very high101 Ų10162.7 Ų62.754%0.5434%0.335SS..THydrogen-bonded Turntrans62.3-0.7-174.1-51.1-52.1000116.1R698 N758R698-D742 IonicContact CZ-OD1 3.35Å; R698-D742 IonicContact CZ-OD2 2.81Å; R698-D742 IonicContact NH1-OD1 2.71Å; R698-D742 PolarHBondContact NH1-OD1 3.45Å; R698-D742 IonicContact NH1-OD2 2.59Å; R698-D742 IonicContact NH2-OD1 3.53Å; R698-D742 PolarHBondContact NH2-OD1 3.24Å; R698-D742 IonicContact NH2-OD2 2.83Å; R698-D742 PolarHBondContact NH2-OD2 2.95Å; D742-N758 PolarHBondContact N-O 2.85Å
743E91.1Very high91.9Very high107 Ų10773.2 Ų73.250%0.537%0.374SS..SBendtrans-86.3158.9171.5-59.8-165.6166.500112.9L740 P741 V745 N758L740-E743 HydrophobicContact CB-CG 4.22Å; P741-E743 PolarHBondContact O-N 2.89Å; P741-E743 VanDerWaalsContact O-N 3.13Å; E743-V745 PolarHBondContact O-N 3.08Å; E743-N758 WeakPolarHBondContact O-CB 3.49Å
744T93Very high91.9Very high89 Ų8975.5 Ų75.555%0.54639%0.386SS..  trans-86109.1177.9-58.70000110.9D754 I755T744-D754 HydrophobicContact CG2-CB 4.3Å; T744-I755 WeakPolarHBondContact CA-O 3.2Å
745V94.3Very high91.8Very high20 Ų2074.1 Ų74.112%0.12138%0.379CS..BIsolated β-bridgetrans-86.2118.1174.4-173.60000109.2Y176 I739 E743 D754 I755 N758Y176-V745 HydrophobicContact CD2-CG1 4.24Å; I739-V745 HydrophobicContact CD1-CG1 4.11Å; I739-V745 HydrophobicContact CG1-CG2 4.5Å; I739-V745 HydrophobicContact CG2-CG2 3.8Å; E743-V745 PolarHBondContact O-N 3.08Å; V745-D754 WeakPolarHBondContact O-CA 3.48Å; V745-I755 HydrophobicContact CB-CB 4.13Å; V745-I755 HydrophobicContact CB-CD1 4.04Å; V745-I755 HydrophobicContact CB-CG1 4.31Å; V745-I755 HydrophobicContact CG1-CD1 4.37Å; V745-I755 PolarHBondContact N-O 3.34Å; V745-I755 PolarHBondContact O-N 3.17Å; V745-N758 HydrophobicContact CG2-CB 4Å
746K94Very high91.6Very high159 Ų15977.5 Ų77.569%0.69140%0.404SS*.PPolyproline II helixtrans-74.3147.5177.8-67.4-179-179.7174.60111.8Y176 P748 D754Y176-K746 WeakPolarHBondContact CD2-O 3.3Å; K746-P748 WeakPolarHBondContact O-CD 3.43Å; K746-D754 VanDerWaalsContact CA-OD1 3.3Å; K746-D754 WeakPolarHBondContact CA-OD1 3.44Å
747S94.1Very high91.5Very high20 Ų2074 Ų7414%0.1439%0.394CS..PPolyproline II helixtrans-76.2126.6170.8-1770000111V749 L752 D754S747-V749 VanDerWaalsContact C-N 3.25Å; S747-V749 PolarHBondContact OG-N 2.71Å; S747-V749 VanDerWaalsContact OG-N 3.13Å; S747-V749 PolarHBondContact OG-O 3.44Å; S747-L752 WeakPolarHBondContact OG-CB 3.46Å; S747-D754 PolarHBondContact N-OD1 2.76Å
748P91.8Very high91.6Very high56 Ų5668.8 Ų68.836%0.36437%0.367SS..SBendtrans-74.2-18167.630.4-32.7000112.4C173 Y176 K746C173-P748 HydrophobicContact CB-CG 4.4Å; Y176-P748 HydrophobicContact CG-CG 4.33Å; K746-P748 WeakPolarHBondContact O-CD 3.43Å
749V89.6Confident91.6Very high1 Ų168.3 Ų68.31%0.00636%0.364CS..SBendtrans-99.1114.1178-179.90000109.2D75 M78 V79 S747 L751 L752D75-V749 HydrophobicContact CB-CG1 3.95Å; M78-V749 HydrophobicContact CB-CG2 4Å; M78-V749 HydrophobicContact CG-CG2 4.29Å; V79-V749 HydrophobicContact CG2-CG1 4.43Å; S747-V749 VanDerWaalsContact C-N 3.25Å; S747-V749 PolarHBondContact OG-N 2.71Å; S747-V749 VanDerWaalsContact OG-N 3.13Å; S747-V749 PolarHBondContact OG-O 3.44Å; V749-L751 HydrophobicContact CG1-CB 4.16Å; V749-L751 PolarHBondContact O-N 3.4Å; V749-L752 HydrophobicContact CB-CD1 4.13Å; V749-L752 HydrophobicContact CB-CG 4.24Å; V749-L752 HydrophobicContact CG1-CD1 4.31Å; V749-L752 HydrophobicContact CG1-CG 4.13Å; V749-L752 PolarHBondContact O-N 3.43Å
750P86.8Confident91.6Very high107 Ų10767.6 Ų67.670%0.69536%0.361SS*.THydrogen-bonded Turntrans-62.4-16.1-175.7-26.136.6000115.6D75 L752D75-P750 VanDerWaalsContact OD1-CD 3.28Å; D75-P750 WeakPolarHBondContact OD1-CD 3.29Å; P750-L752 VanDerWaalsContact C-N 3.32Å
751L83.8Confident91.8Very high112 Ų11265.7 Ų65.759%0.58635%0.351SS*.THydrogen-bonded Turntrans-77.3-14.6174.8-61.9179.8000113.8D75 V749D75-L751 HydrophobicContact CB-CD1 3.78Å; D75-L751 HydrophobicContact CB-CG 4.18Å; V749-L751 HydrophobicContact CG1-CB 4.16Å; V749-L751 PolarHBondContact O-N 3.4Å
752L89.6Confident92Very high57 Ų5765 Ų6530%0.29835%0.346SS..SBendtrans-110.4164.6-176.3-54.4179000111.1V79 F82 Y176 S747 V749 P750V79-L752 HydrophobicContact CG2-CD1 4.4Å; V79-L752 HydrophobicContact CG2-CD2 4.28Å; V79-L752 HydrophobicContact CG2-CG 4.45Å; F82-L752 HydrophobicContact CD2-CD1 4Å; F82-L752 HydrophobicContact CE2-CD1 3.66Å; Y176-L752 HydrophobicContact CE1-CB 4.45Å; Y176-L752 HydrophobicContact CE1-CD1 3.9Å; S747-L752 WeakPolarHBondContact OG-CB 3.46Å; V749-L752 HydrophobicContact CB-CD1 4.13Å; V749-L752 HydrophobicContact CB-CG 4.24Å; V749-L752 HydrophobicContact CG1-CD1 4.31Å; V749-L752 HydrophobicContact CG1-CG 4.13Å; V749-L752 PolarHBondContact O-N 3.43Å; P750-L752 VanDerWaalsContact C-N 3.32Å
753R91.9Very high92.3Very high222 Ų22260.2 Ų60.284%0.83832%0.32SS*.  trans-103.2139.3-172.7-61179.2-178175.20.7111.3Y176Y176-R753 PolarHBondContact OH-O 3.17Å
754D93.9Very high92.6Very high83 Ų8356.9 Ų56.944%0.44430%0.304SS..  trans-51.7139.7171-62.4-12.8000112.3T744 V745 K746 S747 S756T744-D754 HydrophobicContact CG2-CB 4.3Å; V745-D754 WeakPolarHBondContact O-CA 3.48Å; K746-D754 VanDerWaalsContact CA-OD1 3.3Å; K746-D754 WeakPolarHBondContact CA-OD1 3.44Å; S747-D754 PolarHBondContact N-OD1 2.76Å; D754-S756 PolarHBondContact O-N 2.82Å; D754-S756 VanDerWaalsContact O-N 3.17Å
755I92.4Very high92.7Very high11 Ų1152.6 Ų52.66%0.05628%0.278CS..BIsolated β-bridgetrans-79.297175.3-49.4175.3000107.6Y176 A179 E180 T744 V745 V757 N758Y176-I755 HydrophobicContact CD2-CD1 4.2Å; Y176-I755 HydrophobicContact CD2-CG1 4.39Å; Y176-I755 HydrophobicContact CE2-CD1 4.07Å; Y176-I755 HydrophobicContact CE2-CG1 3.83Å; A179-I755 HydrophobicContact CB-CD1 4.03Å; E180-I755 HydrophobicContact CB-CD1 3.77Å; E180-I755 HydrophobicContact CB-CG1 4.36Å; E180-I755 HydrophobicContact CG-CD1 4.32Å; E180-I755 HydrophobicContact CG-CG1 4.37Å; T744-I755 WeakPolarHBondContact CA-O 3.2Å; V745-I755 HydrophobicContact CB-CB 4.13Å; V745-I755 HydrophobicContact CB-CD1 4.04Å; V745-I755 HydrophobicContact CB-CG1 4.31Å; V745-I755 HydrophobicContact CG1-CD1 4.37Å; V745-I755 PolarHBondContact N-O 3.34Å; V745-I755 PolarHBondContact O-N 3.17Å; I755-V757 VanDerWaalsContact C-N 3.3Å; I755-V757 PolarHBondContact O-N 2.97Å; I755-N758 HydrophobicContact CG2-CB 4.19Å
756S88.9Confident92.8Very high93 Ų9355.8 Ų55.865%0.6529%0.288SS*.SBendtrans-76.2-12.1-177.958.40000115.1D754D754-S756 PolarHBondContact O-N 2.82Å; D754-S756 VanDerWaalsContact O-N 3.17Å
757V88.6Confident92.9Very high101 Ų10148.8 Ų48.861%0.61226%0.258SS*.SBendtrans-142.185.5174.6-1760000108I755I755-V757 VanDerWaalsContact C-N 3.3Å; I755-V757 PolarHBondContact O-N 2.97Å
758N93.1Very high92.9Very high0 Ų048.5 Ų48.50%026%0.256CS..  trans-75.3137.8175179.437.3000111.2S183 I739 L740 D742 E743 V745 I755 A760S183-N758 PolarHBondContact OG-OD1 3.31Å; I739-N758 VanDerWaalsContact CG2-ND2 3.28Å; I739-N758 WeakPolarHBondContact CG2-ND2 3.27Å; L740-N758 PolarHBondContact O-ND2 3Å; D742-N758 PolarHBondContact N-O 2.85Å; E743-N758 WeakPolarHBondContact O-CB 3.49Å; V745-N758 HydrophobicContact CG2-CB 4Å; I755-N758 HydrophobicContact CG2-CB 4.19Å; N758-A760 PolarHBondContact ND2-O 2.72Å; N758-A760 WeakPolarHBondContact OD1-CB 3.26Å; N758-A760 PolarHBondContact OD1-N 2.6Å
759S93.4Very high92.9Very high26 Ų2651.4 Ų51.418%0.18227%0.265CS..  trans-1255.8169.374.30000113.8S183 R698S183-S759 WeakPolarHBondContact CA-OG 3.29Å; S183-S759 PolarHBondContact OG-N 2.69Å; S183-S759 PolarHBondContact OG-OG 3.13Å; R698-S759 WeakPolarHBondContact CB-O 3.49Å; R698-S759 PolarHBondContact N-O 2.76Å
760A96.3Very high93.1Very high0 Ų054 Ų540%028%0.276CS..EExtended strand (participates in β ladder)trans-82.8153.1168.800000111.4A179 L182 L696 N758A179-A760 HydrophobicContact CB-CB 4.14Å; L182-A760 HydrophobicContact CB-CB 3.92Å; L182-A760 HydrophobicContact CD1-CB 4.07Å; L696-A760 CarbonylContact O-C 3.42Å; L696-A760 VanDerWaalsContact O-CA 3.26Å; L696-A760 WeakPolarHBondContact O-CA 3.4Å; N758-A760 PolarHBondContact ND2-O 2.72Å; N758-A760 WeakPolarHBondContact OD1-CB 3.26Å; N758-A760 PolarHBondContact OD1-N 2.6Å
761I97.3Very high93.3Very high0 Ų052.7 Ų52.70%027%0.274CS..EExtended strand (participates in β ladder)trans-129.7148.4164.5-164.5167.2000108.8F695 L696 F703 I706 H707 Y710 I739 L740 P741F695-I761 WeakPolarHBondContact CA-O 3.28Å; L696-I761 HydrophobicContact CB-CG2 4.29Å; L696-I761 PolarHBondContact N-O 2.83Å; L696-I761 PolarHBondContact O-N 3.04Å; F703-I761 HydrophobicContact CD2-CB 4.2Å; F703-I761 HydrophobicContact CD2-CG2 3.4Å; F703-I761 VanDerWaalsContact CD2-CG2 3.4Å; F703-I761 HydrophobicContact CE2-CB 3.72Å; F703-I761 HydrophobicContact CE2-CG2 3.47Å; F703-I761 VanDerWaalsContact CE2-CG2 3.47Å; F703-I761 HydrophobicContact CG-CG2 4.34Å; F703-I761 HydrophobicContact CZ-CB 4.46Å; F703-I761 HydrophobicContact CZ-CG2 4.44Å; I706-I761 HydrophobicContact CG2-CD1 4.01Å; I706-I761 HydrophobicContact CG2-CG1 4.22Å; I706-I761 HydrophobicContact CG2-CG2 4.26Å; H707-I761 HydrophobicContact CB-CD1 3.94Å; Y710-I761 HydrophobicContact CD2-CD1 4.01Å; Y710-I761 HydrophobicContact CE2-CD1 4.33Å; Y710-I761 HydrophobicContact CE2-CG1 4.35Å; I739-I761 WeakPolarHBondContact O-CA 3.33Å; L740-I761 HydrophobicContact CD2-CD1 4.46Å; L740-I761 HydrophobicContact CD2-CG1 4.42Å; P741-I761 HydrophobicContact CG-CD1 4.42Å
762N97.3Very high93.3Very high0 Ų054.3 Ų54.30%028%0.278CS..EExtended strand (participates in β ladder)trans-124161.4174.391.7-52.6000113.4V693 L694 F695 Y710 D735 P738 I739V693-N762 HydrophobicContact CG1-CB 4.04Å; V693-N762 WeakPolarHBondContact CG1-ND2 3.19Å; L694-N762 CarbonylContact O-C 3.59Å; L694-N762 WeakPolarHBondContact O-CA 3.43Å; F695-N762 HydrophobicContact CD1-CB 3.35Å; F695-N762 HydrophobicContact CE1-CB 3.37Å; F695-N762 HydrophobicContact CG-CB 3.95Å; F695-N762 HydrophobicContact CZ-CB 3.98Å; Y710-N762 WeakPolarHBondContact CE2-O 3.47Å; Y710-N762 VanDerWaalsContact CZ-O 3.31Å; Y710-N762 PolarHBondContact OH-O 3Å; D735-N762 PolarHBondContact OD2-ND2 2.81Å; P738-N762 VanDerWaalsContact CA-OD1 3.27Å; P738-N762 WeakPolarHBondContact CA-OD1 3.4Å; I739-N762 PolarHBondContact N-OD1 2.64Å; I739-N762 PolarHBondContact O-N 2.59Å
763V97.1Very high93.1Very high0 Ų054.9 Ų54.90%030%0.299CS..EExtended strand (participates in β ladder)trans-153.3151177.671.20000109.8V693 L694 I706 Y710 L732 N733 F765V693-V763 WeakPolarHBondContact CA-O 3.36Å; L694-V763 HydrophobicContact CB-CG1 3.97Å; L694-V763 HydrophobicContact CD2-CG1 4.27Å; L694-V763 HydrophobicContact CG-CG1 4.33Å; L694-V763 PolarHBondContact N-O 3.16Å; L694-V763 PolarHBondContact O-N 2.91Å; I706-V763 HydrophobicContact CD1-CB 4.46Å; I706-V763 HydrophobicContact CD1-CG1 3.73Å; I706-V763 HydrophobicContact CG1-CG1 4.4Å; I706-V763 HydrophobicContact CG2-CB 3.86Å; I706-V763 HydrophobicContact CG2-CG1 4.27Å; I706-V763 HydrophobicContact CG2-CG2 4.28Å; Y710-V763 HydrophobicContact CE2-CB 4.48Å; Y710-V763 HydrophobicContact CE2-CG2 4.49Å; L732-V763 HydrophobicContact CB-CG2 4.12Å; L732-V763 HydrophobicContact CD1-CG1 4.35Å; L732-V763 HydrophobicContact CD2-CG1 3.88Å; N733-V763 WeakPolarHBondContact O-CG2 3.46Å; V763-F765 PolarHBondContact O-N 3.26Å
764K96.9Very high93.2Very high37 Ų3748.7 Ų48.716%0.16128%0.278CS..EExtended strand (participates in β ladder)trans-70.4127.5169.5-72.3171.1175.8146.40108.6L732 N733 D735 E736L732-K764 WeakPolarHBondContact CA-O 3.42Å; N733-K764 HydrophobicContact CB-CB 4.21Å; N733-K764 PolarHBondContact N-O 2.85Å; N733-K764 WeakPolarHBondContact O-CB 3.47Å; N733-K764 PolarHBondContact O-N 2.74Å; D735-K764 HydrophobicContact CB-CG 4.3Å; D735-K764 WeakPolarHBondContact OD1-CE 3.35Å; D735-K764 IonicContact OD1-NZ 2.71Å; D735-K764 PolarHBondContact OD1-NZ 2.64Å; E736-K764 IonicContact OE1-NZ 3.57Å; E736-K764 PolarHBondContact OE1-NZ 2.77Å
765F96.8Very high93.3Very high0 Ų047.3 Ų47.30%027%0.272CS..EExtended strand (participates in β ladder)trans-108.4146175.5177.5-94.8000109.4F194 F211 S691 D692 L694 V720 L732 V763 D767F194-F765 AromaticContact CD1-CD1 3.95Å; F194-F765 HydrophobicContact CD1-CD1 3.95Å; F194-F765 HydrophobicContact CD1-CE1 4.24Å; F194-F765 HydrophobicContact CD1-CG 4.16Å; F194-F765 AromaticContact CE1-CD1 3.82Å; F194-F765 HydrophobicContact CE1-CD1 3.82Å; F194-F765 AromaticContact CE1-CD2 3.85Å; F194-F765 HydrophobicContact CE1-CD2 3.85Å; F194-F765 AromaticContact CE1-CE1 3.85Å; F194-F765 HydrophobicContact CE1-CE1 3.85Å; F194-F765 AromaticContact CE1-CE2 3.89Å; F194-F765 HydrophobicContact CE1-CE2 3.89Å; F194-F765 AromaticContact CE1-CG 3.82Å; F194-F765 HydrophobicContact CE1-CG 3.82Å; F194-F765 AromaticContact CE1-CZ 3.89Å; F194-F765 HydrophobicContact CE1-CZ 3.89Å; F211-F765 HydrophobicContact CD2-CE1 4.42Å; F211-F765 HydrophobicContact CE2-CE1 4.22Å; F211-F765 HydrophobicContact CE2-CZ 4.36Å; S691-F765 PolarHBondContact OG-O 2.83Å; D692-F765 HydrophobicContact CB-CB 4.49Å; D692-F765 HydrophobicContact CB-CD1 4.29Å; D692-F765 PolarHBondContact N-O 2.84Å; D692-F765 PolarHBondContact O-N 3.12Å; D692-F765 VanDerWaalsContact O-O 3.08Å; L694-F765 HydrophobicContact CB-CB 3.97Å; L694-F765 HydrophobicContact CD2-CD2 4.48Å; V720-F765 HydrophobicContact CG2-CE2 4.28Å; L732-F765 HydrophobicContact CD2-CB 4.46Å; L732-F765 HydrophobicContact CD2-CD2 3.81Å; V763-F765 PolarHBondContact O-N 3.26Å; F765-D767 HydrophobicContact CE1-CB 4.35Å
766R96.1Very high93.4Very high86 Ų8647.7 Ų47.733%0.32527%0.273SS..EExtended strand (participates in β ladder)trans-136.1130.4165.5-175.3-164.7-55.2145.17.7108.7E717 G730 T731E717-R766 VanDerWaalsContact CD-NH1 3.35Å; E717-R766 IonicContact OE1-CZ 3.41Å; E717-R766 IonicContact OE1-NH1 2.86Å; E717-R766 PolarHBondContact OE1-NH1 2.93Å; E717-R766 IonicContact OE1-NH2 2.98Å; E717-R766 PolarHBondContact OE1-NH2 2.92Å; E717-R766 IonicContact OE2-NH1 3.81Å; E717-R766 PolarHBondContact OE2-NH1 3.29Å; G730-R766 WeakPolarHBondContact CA-O 3.4Å; T731-R766 PolarHBondContact N-O 2.99Å; T731-R766 PolarHBondContact O-N 2.8Å; T731-R766 PolarHBondContact OG1-O 3.35Å
767D95.1Very high93.7Very high13 Ų1350 Ų507%0.0727%0.272CS..PPolyproline II helixtrans-55157177.8-119-22.3000112.8F211 R214 Q215 F765 Q769F211-D767 WeakPolarHBondContact CA-OD2 3.25Å; F211-D767 WeakPolarHBondContact CD2-OD1 3.35Å; R214-D767 WeakPolarHBondContact CD-OD2 3.25Å; Q215-D767 PolarHBondContact NE2-OD1 2.99Å; F765-D767 HydrophobicContact CE1-CB 4.35Å; D767-Q769 PolarHBondContact O-N 2.93Å; D767-Q769 PolarHBondContact O-NE2 2.93Å
768P94.3Very high94Very high14 Ų1445.4 Ų45.49%0.09124%0.244CC..PPolyproline II helixtrans-55134.8175.4-26.635.8000112.5R214 Q215 Q218 Q729 F770R214-P768 PolarHBondContact NH1-O 3.37Å; Q215-P768 VanDerWaalsContact NE2-CD 3.26Å; Q218-P768 HydrophobicContact CG-CG 4.32Å; Q729-P768 HydrophobicContact CB-CG 4.37Å; Q729-P768 VanDerWaalsContact O-CD 3.29Å; Q729-P768 WeakPolarHBondContact O-CD 3.2Å; Q729-P768 VanDerWaalsContact O-CG 3.24Å; Q729-P768 WeakPolarHBondContact O-CG 3.43Å; P768-F770 HydrophobicContact CB-CE2 4.01Å; P768-F770 HydrophobicContact CB-CZ 4.4Å; P768-F770 WeakPolarHBondContact O-CD2 3.42Å; P768-F770 WeakPolarHBondContact O-CE2 3.49Å
769Q92.3Very high94Very high117 Ų11748 Ų4855%0.54726%0.26SS..PPolyproline II helixtrans-98.1145.6176.5-57.5-51.7-39.800110.8D767D767-Q769 PolarHBondContact O-N 2.93Å; D767-Q769 PolarHBondContact O-NE2 2.93Å
770F93Very high94.1Very high56 Ų5649.6 Ų49.625%0.24627%0.266CS..  trans-124.8156.1-175.9-66-95.6000109.5R214 A217 P768 F774 F776R214-F770 HydrophobicContact CB-CE2 4Å; R214-F770 HydrophobicContact CG-CD2 4.48Å; R214-F770 HydrophobicContact CG-CE2 3.96Å; A217-F770 HydrophobicContact CB-CE1 3.77Å; A217-F770 HydrophobicContact CB-CZ 3.59Å; P768-F770 HydrophobicContact CB-CE2 4.01Å; P768-F770 HydrophobicContact CB-CZ 4.4Å; P768-F770 WeakPolarHBondContact O-CD2 3.42Å; P768-F770 WeakPolarHBondContact O-CE2 3.49Å; F770-F774 HydrophobicContact CB-CB 3.86Å; F770-F774 HydrophobicContact CB-CD1 4.01Å; F770-F774 HydrophobicContact CB-CG 3.88Å; F770-F774 AromaticContact CD1-CD1 3.61Å; F770-F774 HydrophobicContact CD1-CD1 3.61Å; F770-F774 AromaticContact CD1-CD2 3.98Å; F770-F774 HydrophobicContact CD1-CD2 3.98Å; F770-F774 AromaticContact CD1-CE1 3.49Å; F770-F774 HydrophobicContact CD1-CE1 3.49Å; F770-F774 VanDerWaalsContact CD1-CE1 3.49Å; F770-F774 AromaticContact CD1-CE2 3.86Å; F770-F774 HydrophobicContact CD1-CE2 3.86Å; F770-F774 AromaticContact CD1-CG 3.85Å; F770-F774 HydrophobicContact CD1-CG 3.85Å; F770-F774 AromaticContact CD1-CZ 3.62Å; F770-F774 HydrophobicContact CD1-CZ 3.62Å; F770-F774 HydrophobicContact CE1-CD1 4.31Å; F770-F774 AromaticContact CE1-CE1 3.74Å; F770-F774 HydrophobicContact CE1-CE1 3.74Å; F770-F774 HydrophobicContact CE1-CE2 4.33Å; F770-F774 AromaticContact CE1-CZ 3.75Å; F770-F774 HydrophobicContact CE1-CZ 3.75Å; F770-F774 AromaticContact CG-CD1 3.93Å; F770-F774 HydrophobicContact CG-CD1 3.93Å; F770-F774 HydrophobicContact CG-CE1 4.19Å; F770-F774 HydrophobicContact CG-CG 4.19Å; F770-F776 HydrophobicContact CD2-CE1 4.04Å; F770-F776 AromaticContact CD2-CZ 3.73Å; F770-F776 HydrophobicContact CD2-CZ 3.73Å; F770-F776 HydrophobicContact CE1-CE1 4.28Å; F770-F776 AromaticContact CE2-CE1 3.79Å; F770-F776 HydrophobicContact CE2-CE1 3.79Å; F770-F776 AromaticContact CE2-CZ 3.9Å; F770-F776 HydrophobicContact CE2-CZ 3.9Å; F770-F776 HydrophobicContact CG-CE1 4.4Å; F770-F776 HydrophobicContact CG-CZ 4.15Å; F770-F776 AromaticContact CZ-CE1 3.91Å; F770-F776 HydrophobicContact CZ-CE1 3.91Å; F770-F776 HydrophobicContact CZ-CZ 4.44Å
771A90.5Very high94.1Very high78 Ų7851.5 Ų51.565%0.64528%0.276SS*.  trans-61.2151.9176.800000111.9G773 F774A771-G773 PolarHBondContact O-N 3.34Å; A771-F774 WeakPolarHBondContact O-CB 3.49Å; A771-F774 PolarHBondContact O-N 3.35Å
772E84.3Confident93.9Very high146 Ų14657.2 Ų57.268%0.68231%0.313SS*.THydrogen-bonded Turntrans-56.3134.1175.3-159-145.1131.800110.6K597 F774K597-E772 WeakPolarHBondContact CD-OE1 3.4Å; K597-E772 WeakPolarHBondContact CE-OE1 3.41Å; K597-E772 IonicContact NZ-OE1 3.27Å; K597-E772 PolarHBondContact NZ-OE1 2.9Å; E772-F774 VanDerWaalsContact C-N 3.28Å; E772-F774 PolarHBondContact O-N 3.2Å
773G85.3Confident93.7Very high70 Ų7059.9 Ų59.972%0.72234%0.341SS*.THydrogen-bonded Turntrans74.88.1-176.300000115.4A771 V775A771-G773 PolarHBondContact O-N 3.34Å; G773-V775 PolarHBondContact O-N 2.83Å
774F93.7Very high93.6Very high91 Ų9161.2 Ų61.240%0.39935%0.352SS..  trans-58.9132.6168.7-176.9-91.5000110.9A217 F770 A771 E772 F776A217-F774 HydrophobicContact CB-CE1 4.37Å; A217-F774 HydrophobicContact CB-CZ 4.49Å; F770-F774 HydrophobicContact CB-CB 3.86Å; F770-F774 HydrophobicContact CB-CD1 4.01Å; F770-F774 HydrophobicContact CB-CG 3.88Å; F770-F774 AromaticContact CD1-CD1 3.61Å; F770-F774 HydrophobicContact CD1-CD1 3.61Å; F770-F774 AromaticContact CD1-CD2 3.98Å; F770-F774 HydrophobicContact CD1-CD2 3.98Å; F770-F774 AromaticContact CD1-CE1 3.49Å; F770-F774 HydrophobicContact CD1-CE1 3.49Å; F770-F774 VanDerWaalsContact CD1-CE1 3.49Å; F770-F774 AromaticContact CD1-CE2 3.86Å; F770-F774 HydrophobicContact CD1-CE2 3.86Å; F770-F774 AromaticContact CD1-CG 3.85Å; F770-F774 HydrophobicContact CD1-CG 3.85Å; F770-F774 AromaticContact CD1-CZ 3.62Å; F770-F774 HydrophobicContact CD1-CZ 3.62Å; F770-F774 HydrophobicContact CE1-CD1 4.31Å; F770-F774 AromaticContact CE1-CE1 3.74Å; F770-F774 HydrophobicContact CE1-CE1 3.74Å; F770-F774 HydrophobicContact CE1-CE2 4.33Å; F770-F774 AromaticContact CE1-CZ 3.75Å; F770-F774 HydrophobicContact CE1-CZ 3.75Å; F770-F774 AromaticContact CG-CD1 3.93Å; F770-F774 HydrophobicContact CG-CD1 3.93Å; F770-F774 HydrophobicContact CG-CE1 4.19Å; F770-F774 HydrophobicContact CG-CG 4.19Å; A771-F774 WeakPolarHBondContact O-CB 3.49Å; A771-F774 PolarHBondContact O-N 3.35Å; E772-F774 VanDerWaalsContact C-N 3.28Å; E772-F774 PolarHBondContact O-N 3.2Å; F774-F776 HydrophobicContact CD1-CD1 4.17Å; F774-F776 HydrophobicContact CD1-CD2 4.37Å; F774-F776 HydrophobicContact CD1-CE1 4.04Å; F774-F776 HydrophobicContact CD1-CE2 4.25Å; F774-F776 HydrophobicContact CD1-CG 4.33Å; F774-F776 HydrophobicContact CD1-CZ 4.08Å; F774-F776 AromaticContact CE1-CD1 3.68Å; F774-F776 HydrophobicContact CE1-CD1 3.68Å; F774-F776 AromaticContact CE1-CE1 3.73Å; F774-F776 HydrophobicContact CE1-CE1 3.73Å; F774-F776 HydrophobicContact CE1-CG 4.16Å; F774-F776 HydrophobicContact CE1-CZ 4.25Å
775V96.1Very high93.4Very high54 Ų5466.6 Ų66.633%0.32738%0.375SS..  trans-110.1110.6-178.1178.20000110.1N381 F383 G773N381-V775 HydrophobicContact CB-CG1 3.6Å; F383-V775 HydrophobicContact CE2-CG1 4.14Å; F383-V775 HydrophobicContact CE2-CG2 4.02Å; F383-V775 HydrophobicContact CZ-CG2 4.31Å; G773-V775 PolarHBondContact O-N 2.83Å
776F96.1Very high93.1Very high19 Ų1971.4 Ų71.48%0.08340%0.399CS..  trans-63.8131.9169.4-62.1-79000109.7R213 R214 A217 Q565 F770 F774R213-F776 HydrophobicContact CG-CB 3.76Å; R213-F776 HydrophobicContact CG-CD1 3.58Å; R213-F776 HydrophobicContact CG-CD2 4.06Å; R213-F776 HydrophobicContact CG-CE1 4.17Å; R213-F776 HydrophobicContact CG-CG 3.52Å; R213-F776 VanDerWaalsContact NE-CD2 3.34Å; R214-F776 HydrophobicContact CG-CE1 4.34Å; R214-F776 HydrophobicContact CG-CZ 4.08Å; A217-F776 HydrophobicContact CB-CD1 3.84Å; A217-F776 HydrophobicContact CB-CE1 3.84Å; Q565-F776 PolarHBondContact NE2-O 3.28Å; Q565-F776 VanDerWaalsContact OE1-CD2 3.31Å; F770-F776 HydrophobicContact CD2-CE1 4.04Å; F770-F776 AromaticContact CD2-CZ 3.73Å; F770-F776 HydrophobicContact CD2-CZ 3.73Å; F770-F776 HydrophobicContact CE1-CE1 4.28Å; F770-F776 AromaticContact CE2-CE1 3.79Å; F770-F776 HydrophobicContact CE2-CE1 3.79Å; F770-F776 AromaticContact CE2-CZ 3.9Å; F770-F776 HydrophobicContact CE2-CZ 3.9Å; F770-F776 HydrophobicContact CG-CE1 4.4Å; F770-F776 HydrophobicContact CG-CZ 4.15Å; F770-F776 AromaticContact CZ-CE1 3.91Å; F770-F776 HydrophobicContact CZ-CE1 3.91Å; F770-F776 HydrophobicContact CZ-CZ 4.44Å; F774-F776 HydrophobicContact CD1-CD1 4.17Å; F774-F776 HydrophobicContact CD1-CD2 4.37Å; F774-F776 HydrophobicContact CD1-CE1 4.04Å; F774-F776 HydrophobicContact CD1-CE2 4.25Å; F774-F776 HydrophobicContact CD1-CG 4.33Å; F774-F776 HydrophobicContact CD1-CZ 4.08Å; F774-F776 AromaticContact CE1-CD1 3.68Å; F774-F776 HydrophobicContact CE1-CD1 3.68Å; F774-F776 AromaticContact CE1-CE1 3.73Å; F774-F776 HydrophobicContact CE1-CE1 3.73Å; F774-F776 HydrophobicContact CE1-CG 4.16Å; F774-F776 HydrophobicContact CE1-CZ 4.25Å
777K94.6Very high92.7Very high143 Ų14369.4 Ų69.462%0.62240%0.397SS*.  trans-91.5129.8-172.5-64.5179.7-177.2172.70112.2R216 V779R216-K777 PolarHBondContact NH1-O 2.92Å; R216-K777 PolarHBondContact NH2-O 2.96Å; K777-V779 HydrophobicContact CB-CG2 3.92Å; K777-V779 PolarHBondContact O-N 3.42Å
778A93.9Very high92.2Very high3 Ų372 Ų723%0.02542%0.416CS..  trans-85.680.4175.400000110.3H244 N381 Y564H244-A778 WeakPolarHBondContact NE2-CB 3.28Å; N381-A778 PolarHBondContact OD1-N 2.94Å; Y564-A778 HydrophobicContact CD1-CB 4Å; Y564-A778 HydrophobicContact CE1-CB 3.83Å
779V94.8Very high91.8Very high56 Ų5679.6 Ų79.634%0.33945%0.448SS..SBendtrans-155156.5-172.6-660000111.5R216 H244 K777R216-V779 PolarHBondContact NH2-O 3.39Å; H244-V779 WeakPolarHBondContact CB-O 3.39Å; K777-V779 HydrophobicContact CB-CG2 3.92Å; K777-V779 PolarHBondContact O-N 3.42Å
780L94.9Very high91.5Very high59 Ų5974.6 Ų74.631%0.30943%0.425SS..PPolyproline II helixtrans-65.7135.7161.7-70.6168.8000110.1H244 P246 E329 M786H244-L780 WeakPolarHBondContact O-CD2 2.95Å; P246-L780 HydrophobicContact CB-CD2 4.47Å; E329-L780 HydrophobicContact CG-CG 4.31Å; E329-L780 WeakPolarHBondContact OE1-CD1 3.48Å; L780-M786 HydrophobicContact CD1-SD 4.01Å; L780-M786 HydrophobicContact CD2-SD 4.03Å
781L95.3Very high91.1Very high39 Ų3972.5 Ų72.520%0.20442%0.416CS..PPolyproline II helixtrans-73.5149.3177.3-73.1-174.9000112.4R216 P223 G783 A784R216-L781 HydrophobicContact CG-CD1 3.68Å; R216-L781 HydrophobicContact CG-CG 4.26Å; P223-L781 HydrophobicContact CB-CB 3.6Å; P223-L781 HydrophobicContact CB-CD1 3.96Å; P223-L781 HydrophobicContact CB-CG 4.43Å; L781-G783 PolarHBondContact O-N 2.94Å; L781-A784 WeakPolarHBondContact O-CB 3.49Å; L781-A784 PolarHBondContact O-N 3.04Å; L781-A784 VanDerWaalsContact O-N 3.13Å
782P93.6Very high90.8Very high120 Ų12073.1 Ų73.178%0.77941%0.405SS*.THydrogen-bonded Turntrans-57.7128.5172-22.433.7000111.5
783G93.2Very high90.5Very high57 Ų5768.3 Ų68.359%0.58839%0.386SS*.THydrogen-bonded Turntrans87.8-1.2-178.100000115.4N224 L781N224-G783 PolarHBondContact ND2-O 2.79Å; N224-G783 PolarHBondContact OD1-O 3.09Å; L781-G783 PolarHBondContact O-N 2.94Å
784A94.5Very high89.9Confident27 Ų2771.9 Ų71.922%0.22338%0.384CS..  trans-62.2131.4168.600000111.6P223 P246 L781P223-A784 HydrophobicContact CB-CB 4.22Å; P223-A784 WeakPolarHBondContact O-CA 3.28Å; P223-A784 WeakPolarHBondContact O-CB 3.39Å; P246-A784 HydrophobicContact CG-CB 4.23Å; L781-A784 WeakPolarHBondContact O-CB 3.49Å; L781-A784 PolarHBondContact O-N 3.04Å; L781-A784 VanDerWaalsContact O-N 3.13Å
785K93.7Very high88.6Confident150 Ų15072.1 Ų72.165%0.65239%0.389SS*.  trans-106.7117.1176.8-62.2161.9-166152.70109.5N224N224-K785 VanDerWaalsContact OD1-CB 3.26Å; N224-K785 WeakPolarHBondContact OD1-CB 3.46Å; N224-K785 WeakPolarHBondContact OD1-CD 3.42Å; N224-K785 VanDerWaalsContact OD1-CG 3.27Å; N224-K785 WeakPolarHBondContact OD1-CG 3.26Å; N224-K785 PolarHBondContact OD1-N 3.38Å
786M89.4Confident87.3Confident101 Ų10171.2 Ų71.250%0.49838%0.38SS..PPolyproline II helixtrans-66.4136.6176.3-67.2-59.4-61.600111.5P246 L780P246-M786 HydrophobicContact CB-SD 3.97Å; L780-M786 HydrophobicContact CD1-SD 4.01Å; L780-M786 HydrophobicContact CD2-SD 4.03Å
787P87.8Confident85.8Confident44 Ų4477.5 Ų77.529%0.28641%0.41SS..PPolyproline II helixtrans-53.5158.3172.5-33.138.6000115.3N247 C307 K789N247-P787 VanDerWaalsContact OD1-CG 3.24Å; N247-P787 WeakPolarHBondContact OD1-CG 3.16Å; C307-P787 HydrophobicContact CB-CB 4.25Å; C307-P787 HydrophobicContact CB-CG 3.82Å; P787-K789 PolarHBondContact O-N 2.82Å
788S84.4Confident84Confident67 Ų6781.2 Ų81.247%0.46942%0.42SS..PPolyproline II helixtrans-59.6126172.359.80000111.1V790S788-V790 PolarHBondContact O-N 3.15Å
789K85.6Confident82.2Confident174 Ų17485 Ų8576%0.75746%0.459SS*.PPolyproline II helixtrans-59.7121.6-179.3-68.3-172.5177.5-174.10112.2E311 P787E311-K789 WeakPolarHBondContact OE1-CA 3.34Å; E311-K789 WeakPolarHBondContact OE2-CB 3.43Å; P787-K789 PolarHBondContact O-N 2.82Å
790V86.2Confident80.4Confident12 Ų1286.3 Ų86.37%0.07348%0.476CS..  trans-86.4-32.1-179.4175.30000111.3V308 E311 S788 Q807V308-V790 HydrophobicContact CG1-CB 4.2Å; V308-V790 HydrophobicContact CG1-CG1 4.19Å; V308-V790 HydrophobicContact CG2-CB 3.91Å; V308-V790 HydrophobicContact CG2-CG1 4.23Å; V308-V790 HydrophobicContact CG2-CG2 3.6Å; E311-V790 PolarHBondContact OE1-N 2.8Å; E311-V790 PolarHBondContact OE2-N 2.8Å; S788-V790 PolarHBondContact O-N 3.15Å; V790-Q807 HydrophobicContact CG1-CB 4.32Å
791L86.3Confident78.8Confident12 Ų1290.9 Ų90.96%0.06349%0.489CS..SBendtrans-85.4143.3-171.4-58.3-171.8000112.6V308 E311 Y312 R315V308-L791 HydrophobicContact CG1-CD2 3.81Å; V308-L791 HydrophobicContact CG1-CG 4.17Å; E311-L791 HydrophobicContact CB-CD1 3.59Å; E311-L791 HydrophobicContact CB-CG 3.94Å; E311-L791 WeakPolarHBondContact OE2-CB 3.12Å; E311-L791 PolarHBondContact OE2-N 2.61Å; E311-L791 VanDerWaalsContact OE2-N 3.1Å; Y312-L791 HydrophobicContact CD1-CD1 3.65Å; Y312-L791 HydrophobicContact CD2-CD1 3.7Å; Y312-L791 HydrophobicContact CD2-CD2 4.3Å; Y312-L791 HydrophobicContact CE1-CD1 3.84Å; Y312-L791 HydrophobicContact CE1-CD2 4.23Å; Y312-L791 HydrophobicContact CE2-CD1 3.89Å; Y312-L791 HydrophobicContact CE2-CD2 3.67Å; Y312-L791 HydrophobicContact CE2-CG 4.4Å; Y312-L791 HydrophobicContact CG-CD1 3.6Å; R315-L791 PolarHBondContact NH2-O 3.36Å
792K82.3Confident77.5Confident92 Ų9290.5 Ų90.540%0.450%0.495SS..PPolyproline II helixtrans-52.4126.7179.2-173.8-174.5173.8-95.50111R315 W804R315-K792 PolarHBondContact NH1-O 3.43Å; R315-K792 PolarHBondContact NH2-O 3.19Å; K792-W804 HydrophobicContact CB-CD2 3.81Å; K792-W804 HydrophobicContact CB-CE3 4.01Å; K792-W804 HydrophobicContact CB-CG 4.46Å; K792-W804 HydrophobicContact CB-CH2 3.89Å; K792-W804 HydrophobicContact CB-CZ2 3.71Å; K792-W804 HydrophobicContact CB-CZ3 4.03Å; K792-W804 HydrophobicContact CD-CD2 4.31Å; K792-W804 HydrophobicContact CD-CE3 4.18Å; K792-W804 HydrophobicContact CG-CD2 3.72Å; K792-W804 HydrophobicContact CG-CE3 4.03Å; K792-W804 HydrophobicContact CG-CG 3.92Å
793P80.1Confident76.2Confident44 Ų4489.8 Ų89.829%0.28649%0.49SS..PPolyproline II helixtrans-61.4146.2174.5-20.231.4000111.8D795 Y796P793-D795 WeakPolarHBondContact CB-OD1 3.22Å; P793-Y796 HydrophobicContact CG-CD2 4.27Å; P793-Y796 WeakPolarHBondContact O-CB 3.48Å; P793-Y796 PolarHBondContact O-N 3.44Å
794E71.1Confident75.2Confident145 Ų14591.6 Ų91.668%0.67848%0.479SS*.THydrogen-bonded Turntrans-80.7-32.9-176-56.5-170.4166.100110.6R315 Y796R315-E794 VanDerWaalsContact CD-OE1 3.28Å; R315-E794 WeakPolarHBondContact CD-OE1 3.19Å; R315-E794 WeakPolarHBondContact CG-OE1 3.34Å; R315-E794 IonicContact CZ-OE1 3.8Å; R315-E794 IonicContact NE-OE1 3.84Å; R315-E794 IonicContact NH1-OE1 2.6Å; R315-E794 PolarHBondContact NH1-OE1 2.86Å; E794-Y796 PolarHBondContact O-N 2.76Å; E794-Y796 VanDerWaalsContact O-N 3.15Å
795D67.8Low73.8Confident97 Ų9798.6 Ų98.652%0.51950%0.5SS..THydrogen-bonded Turntrans-70.57.9166.770.7-53.3000114P793 E797 R801P793-D795 WeakPolarHBondContact CB-OD1 3.22Å; D795-E797 VanDerWaalsContact C-N 3.32Å; D795-E797 PolarHBondContact O-N 3.01Å; D795-R801 IonicContact OD2-CZ 3.72Å; D795-R801 IonicContact OD2-NH1 3.49Å; D795-R801 PolarHBondContact OD2-NH1 3.35Å; D795-R801 IonicContact OD2-NH2 3.95Å
796Y67.3Low72.4Confident35 Ų3595 Ų9514%0.13749%0.492CS..  trans-76.282.8-174.7-161-81.4000112.3P793 E794 R801 G802 W804P793-Y796 HydrophobicContact CG-CD2 4.27Å; P793-Y796 WeakPolarHBondContact O-CB 3.48Å; P793-Y796 PolarHBondContact O-N 3.44Å; E794-Y796 PolarHBondContact O-N 2.76Å; E794-Y796 VanDerWaalsContact O-N 3.15Å; Y796-R801 HydrophobicContact CE2-CB 3.75Å; Y796-R801 VanDerWaalsContact OH-C 3.25Å; Y796-R801 PolarHBondContact OH-O 3.43Å; Y796-G802 WeakPolarHBondContact CE1-O 3.47Å; Y796-G802 VanDerWaalsContact OH-C 3.29Å; Y796-G802 PolarHBondContact OH-O 3.31Å; Y796-W804 HydrophobicContact CD1-CB 3.99Å; Y796-W804 HydrophobicContact CD2-CB 4.32Å; Y796-W804 HydrophobicContact CE1-CB 3.62Å; Y796-W804 HydrophobicContact CE2-CB 3.97Å; Y796-W804 HydrophobicContact CE2-CG 4.48Å; Y796-W804 HydrophobicContact CG-CB 4.33Å; Y796-W804 PolarHBondContact OH-N 3.07Å; Y796-W804 VanDerWaalsContact OH-N 3.1Å
797E65.6Low71.6Confident151 Ų15191.5 Ų91.571%0.70647%0.474SS*.  trans-72.6128.5165.2-64.8-164.8161.200111.3D795 G799D795-E797 VanDerWaalsContact C-N 3.32Å; D795-E797 PolarHBondContact O-N 3.01Å; E797-G799 PolarHBondContact O-N 3.28Å; E797-G799 VanDerWaalsContact O-N 3.12Å
798R56.3Low70.5Confident220 Ų22094.2 Ų94.283%0.8349%0.486SS*.THydrogen-bonded Turntrans-64.5-17.6-176.4-166.5-177.8-70.8-170.5-1.5113.6
799G55.8Low70.2Confident82 Ų8291.5 Ų91.585%0.84547%0.469SS*.THydrogen-bonded Turntrans-76.2-33.8-175.300000115.2E797E797-G799 PolarHBondContact O-N 3.28Å; E797-G799 VanDerWaalsContact O-N 3.12Å
800A57.7Low69.9Low84 Ų8484.7 Ų84.769%0.69444%0.439SS*.THydrogen-bonded Turntrans-102.5-22.5-166.100000115.3
801R61Low69.2Low155 Ų15586.3 Ų86.359%0.58545%0.447SS*.SBendtrans-127.611.2-170-61.6-178.8-174.8147.71.6114.3D795 Y796D795-R801 IonicContact OD2-CZ 3.72Å; D795-R801 IonicContact OD2-NH1 3.49Å; D795-R801 PolarHBondContact OD2-NH1 3.35Å; D795-R801 IonicContact OD2-NH2 3.95Å; Y796-R801 HydrophobicContact CE2-CB 3.75Å; Y796-R801 VanDerWaalsContact OH-C 3.25Å; Y796-R801 PolarHBondContact OH-O 3.43Å
802G68Low68Low32 Ų3289.2 Ų89.233%0.3347%0.467SS..  trans79.4-155.4-179.200000114.1Y796Y796-G802 WeakPolarHBondContact CE1-O 3.47Å; Y796-G802 VanDerWaalsContact OH-C 3.29Å; Y796-G802 PolarHBondContact OH-O 3.31Å
803P66.9Low66.9Low105 Ų10591.3 Ų91.368%0.68248%0.482SS*.SBendtrans-86.312217032.3-29.8000110.9R805P803-R805 PolarHBondContact O-N 3.19Å
804W70.4Confident66Low94 Ų9495.5 Ų95.536%0.35649%0.493SS..  trans-61.5135.6173.4179.278.6000110.7K792 Y796 P806K792-W804 HydrophobicContact CB-CD2 3.81Å; K792-W804 HydrophobicContact CB-CE3 4.01Å; K792-W804 HydrophobicContact CB-CG 4.46Å; K792-W804 HydrophobicContact CB-CH2 3.89Å; K792-W804 HydrophobicContact CB-CZ2 3.71Å; K792-W804 HydrophobicContact CB-CZ3 4.03Å; K792-W804 HydrophobicContact CD-CD2 4.31Å; K792-W804 HydrophobicContact CD-CE3 4.18Å; K792-W804 HydrophobicContact CG-CD2 3.72Å; K792-W804 HydrophobicContact CG-CE3 4.03Å; K792-W804 HydrophobicContact CG-CG 3.92Å; Y796-W804 HydrophobicContact CD1-CB 3.99Å; Y796-W804 HydrophobicContact CD2-CB 4.32Å; Y796-W804 HydrophobicContact CE1-CB 3.62Å; Y796-W804 HydrophobicContact CE2-CB 3.97Å; Y796-W804 HydrophobicContact CE2-CG 4.48Å; Y796-W804 HydrophobicContact CG-CB 4.33Å; Y796-W804 PolarHBondContact OH-N 3.07Å; Y796-W804 VanDerWaalsContact OH-N 3.1Å; W804-P806 HydrophobicContact CH2-CB 3.64Å; W804-P806 HydrophobicContact CZ2-CB 4.4Å; W804-P806 HydrophobicContact CZ3-CB 3.8Å; W804-P806 HydrophobicContact CZ3-CG 4.39Å
805R66.4Low65.1Low175 Ų17597.7 Ų97.766%0.6650%0.503SS*.  trans-110.8130.3176.9-63.6-176.8179.8-121.94.1109.5P803P803-R805 PolarHBondContact O-N 3.19Å
806P65Low64.3Low73 Ų7398.1 Ų98.147%0.47450%0.502SS..  trans-70.2137.8171.729-33.5000111W804 L808W804-P806 HydrophobicContact CH2-CB 3.64Å; W804-P806 HydrophobicContact CZ2-CB 4.4Å; W804-P806 HydrophobicContact CZ3-CB 3.8Å; W804-P806 HydrophobicContact CZ3-CG 4.39Å; P806-L808 PolarHBondContact O-N 3.33Å
807Q70.7Confident63.9Low29 Ų29101.4 Ų101.414%0.13654%0.536CS..  trans-78.8111174.8173.3171.5-4.400110.2V790 F810 P812V790-Q807 HydrophobicContact CG1-CB 4.32Å; Q807-F810 PolarHBondContact NE2-O 3.41Å; Q807-P812 HydrophobicContact CG-CB 4.33Å
808L66.6Low63.5Low101 Ų101101.2 Ų101.253%0.52954%0.535SS..  trans-103.788.5-175.2-64.7178.2000111.2P806 R814P806-L808 PolarHBondContact O-N 3.33Å; L808-R814 PolarHBondContact O-NH1 3.19Å; L808-R814 VanDerWaalsContact O-NH1 3.08Å
809G76.4Confident63.8Low10 Ų1095 Ų9510%0.10352%0.518CS..SBendtrans114.2-166-170.500000111.2R305R305-G809 PolarHBondContact NH1-O 3.11Å
810F80.8Confident64.2Low31 Ų3195.7 Ų95.714%0.13650%0.502CS..SBendtrans-78.5-32.8178-70.1-94.8000112.7V19 V46 F48 T249 F303 R305 Q807V19-F810 HydrophobicContact CB-CE2 4.39Å; V19-F810 HydrophobicContact CG1-CD2 4.38Å; V19-F810 HydrophobicContact CG1-CE2 4.17Å; V46-F810 HydrophobicContact CB-CB 3.81Å; V46-F810 HydrophobicContact CB-CD1 3.84Å; V46-F810 HydrophobicContact CB-CD2 4.31Å; V46-F810 HydrophobicContact CB-CE1 4.48Å; V46-F810 HydrophobicContact CB-CG 3.73Å; V46-F810 HydrophobicContact CG1-CB 3.98Å; V46-F810 HydrophobicContact CG1-CD1 3.69Å; V46-F810 HydrophobicContact CG1-CD2 3.52Å; V46-F810 HydrophobicContact CG1-CE1 3.97Å; V46-F810 HydrophobicContact CG1-CE2 3.84Å; V46-F810 HydrophobicContact CG1-CG 3.45Å; V46-F810 VanDerWaalsContact CG1-CG 3.45Å; V46-F810 HydrophobicContact CG1-CZ 4.05Å; V46-F810 HydrophobicContact CG2-CD1 4Å; V46-F810 HydrophobicContact CG2-CE1 4.42Å; V46-F810 HydrophobicContact CG2-CG 4.41Å; F48-F810 HydrophobicContact CZ-CE1 4.49Å; F48-F810 HydrophobicContact CZ-CZ 4.32Å; T249-F810 HydrophobicContact CG2-CZ 4.2Å; F303-F810 HydrophobicContact CB-CE2 4.25Å; F303-F810 HydrophobicContact CB-CZ 3.97Å; F303-F810 AromaticContact CD2-CE2 3.65Å; F303-F810 HydrophobicContact CD2-CE2 3.65Å; F303-F810 HydrophobicContact CD2-CZ 4.02Å; F303-F810 HydrophobicContact CE2-CE2 4.18Å; F303-F810 HydrophobicContact CG-CE2 4.07Å; F303-F810 AromaticContact CG-CZ 3.97Å; F303-F810 HydrophobicContact CG-CZ 3.97Å; R305-F810 VanDerWaalsContact CD-CE1 3.46Å; R305-F810 HydrophobicContact CG-CE1 3.75Å; R305-F810 HydrophobicContact CG-CZ 3.85Å; Q807-F810 PolarHBondContact NE2-O 3.41Å
811N71.1Confident64.4Low45 Ų4598.3 Ų98.324%0.24150%0.5CS..  trans-85.5124.1-178.1-171.5-1.7000113.2E45 N813E45-N811 HydrophobicContact CB-CB 3.71Å; E45-N811 VanDerWaalsContact CD-CB 3.46Å; E45-N811 HydrophobicContact CG-CB 4.22Å; E45-N811 PolarHBondContact OE1-ND2 2.78Å; E45-N811 WeakPolarHBondContact OE2-CB 3.35Å; N811-N813 VanDerWaalsContact C-N 3.32Å; N811-N813 WeakPolarHBondContact OD1-CB 3.41Å; N811-N813 PolarHBondContact OD1-N 3.18Å
812P61.5Low64.7Low73 Ų7393.2 Ų93.247%0.47449%0.491SS..THydrogen-bonded Turntrans-72.7-22172.729.7-34.3000113.5Q807Q807-P812 HydrophobicContact CG-CB 4.33Å
813N58.8Low64.8Low137 Ų13792.4 Ų92.473%0.73348%0.483SS*.THydrogen-bonded Turntrans-96.313.1-173.8-65-41.6000113.7N811 Q815N811-N813 VanDerWaalsContact C-N 3.32Å; N811-N813 WeakPolarHBondContact OD1-CB 3.41Å; N811-N813 PolarHBondContact OD1-N 3.18Å; N813-Q815 PolarHBondContact O-N 3.23Å
814R59.8Low65.1Low132 Ų13293.5 Ų93.550%0.49848%0.477SS..  trans-58.5118.2-174.8-167.9177.6-174-176.15.3111.6E45 L808 Q816E45-R814 VanDerWaalsContact OE2-CD 3.3Å; E45-R814 WeakPolarHBondContact OE2-CD 3.4Å; E45-R814 IonicContact OE2-NE 3.5Å; L808-R814 PolarHBondContact O-NH1 3.19Å; L808-R814 VanDerWaalsContact O-NH1 3.08Å; R814-Q816 PolarHBondContact O-N 3.25Å
815Q52.5Low65.2Low190 Ų19096 Ų9689%0.88849%0.486SS*.  trans-67.5106.5175-67.4-17110.500109.8N813 A817N813-Q815 PolarHBondContact O-N 3.23Å; Q815-A817 PolarHBondContact O-N 3.22Å
816Q52.5Low65.3Low107 Ų10790.4 Ų90.450%0.548%0.477SS..  trans-68.8117170.2-73.3-176-3000109.3R814 H818R814-Q816 PolarHBondContact O-N 3.25Å; Q816-H818 PolarHBondContact O-CD2 3.15Å; Q816-H818 PolarHBondContact O-N 3.44Å
817A58.8Low65.2Low104 Ų10490.8 Ų90.886%0.8648%0.475SS*.  trans-63.3100.4169.500000109.2Q815 L819Q815-A817 PolarHBondContact O-N 3.22Å; A817-L819 PolarHBondContact O-N 3.43Å
818H55.9Low64.6Low147 Ų14792.3 Ų92.368%0.68150%0.499SS*.  trans-74.1120.4173.7-80.3-80000109.5Q816 D820Q816-H818 PolarHBondContact O-CD2 3.15Å; Q816-H818 PolarHBondContact O-N 3.44Å; H818-D820 PolarHBondContact O-N 3.42Å
819L63.9Low64.1Low90 Ų9096 Ų9647%0.47151%0.513SS..  trans-58.3133.6160.3-70.5167.7000108.6A817 F824 L827A817-L819 PolarHBondContact O-N 3.43Å; L819-F824 HydrophobicContact CB-CD2 3.96Å; L819-F824 HydrophobicContact CB-CE2 3.86Å; L819-F824 HydrophobicContact CB-CZ 4.4Å; L819-F824 WeakPolarHBondContact O-CD2 3.49Å; L819-F824 VanDerWaalsContact O-CE2 3.25Å; L819-F824 WeakPolarHBondContact O-CE2 3.38Å; L819-L827 HydrophobicContact CD1-CD1 3.53Å
820D62.5Low62.6Low95 Ų9599.3 Ų99.351%0.50854%0.535SS..  trans-75.9177.3176.289.1-59.9000110.8H818 A822 G823 F824H818-D820 PolarHBondContact O-N 3.42Å; D820-A822 VanDerWaalsContact CG-N 3.26Å; D820-A822 PolarHBondContact O-N 2.97Å; D820-A822 PolarHBondContact OD1-N 3.17Å; D820-A822 WeakPolarHBondContact OD2-CB 3.42Å; D820-A822 PolarHBondContact OD2-N 3.09Å; D820-G823 PolarHBondContact O-N 2.81Å; D820-G823 VanDerWaalsContact O-N 3.15Å; D820-G823 PolarHBondContact OD1-N 2.86Å; D820-F824 WeakPolarHBondContact O-CD2 3.44Å; D820-F824 PolarHBondContact O-N 3.09Å
821Q61.9Low60.6Low140 Ų140104.1 Ų104.165%0.65456%0.561SS**Hα-helixtrans-59.3-30.1178.1-15779.231.500112.2R825Q821-R825 VanDerWaalsContact C-NH2 3.34Å; Q821-R825 WeakPolarHBondContact O-CG 3.2Å; Q821-R825 PolarHBondContact O-N 3.15Å; Q821-R825 PolarHBondContact O-NE 3.16Å; Q821-R825 PolarHBondContact O-NH2 3.05Å
822A68.1Low59.1Low48 Ų48107.6 Ų107.640%0.39759%0.586SS.*Hα-helixtrans-70.3-47.5172.600000112.3D820 F824 R825 A826D820-A822 VanDerWaalsContact CG-N 3.26Å; D820-A822 PolarHBondContact O-N 2.97Å; D820-A822 PolarHBondContact OD1-N 3.17Å; D820-A822 WeakPolarHBondContact OD2-CB 3.42Å; D820-A822 PolarHBondContact OD2-N 3.09Å; A822-F824 VanDerWaalsContact C-N 3.34Å; A822-F824 PolarHBondContact O-N 3.3Å; A822-R825 CarbonylContact O-C 3.57Å; A822-R825 WeakPolarHBondContact O-CA 3.39Å; A822-R825 WeakPolarHBondContact O-CB 3.33Å; A822-R825 PolarHBondContact O-N 3.14Å; A822-A826 PolarHBondContact O-N 3.28Å
823G70.3Confident58.2Low15 Ų15116 Ų11616%0.15561%0.608CS.*Hα-helixtrans-56.4-43.5175.800000113.2D820 R825 A826 L827D820-G823 PolarHBondContact O-N 2.81Å; D820-G823 VanDerWaalsContact O-N 3.15Å; D820-G823 PolarHBondContact OD1-N 2.86Å; G823-R825 VanDerWaalsContact C-N 3.33Å; G823-R825 PolarHBondContact O-N 3.05Å; G823-A826 PolarHBondContact O-N 3.2Å; G823-L827 PolarHBondContact O-N 3.38Å
824F72.8Confident57Low127 Ų127113.5 Ų113.556%0.55761%0.607SS**Hα-helixtrans-62.5-36.5173.1-84.5-71.7000113.3L819 D820 A822 G828L819-F824 HydrophobicContact CB-CD2 3.96Å; L819-F824 HydrophobicContact CB-CE2 3.86Å; L819-F824 HydrophobicContact CB-CZ 4.4Å; L819-F824 WeakPolarHBondContact O-CD2 3.49Å; L819-F824 VanDerWaalsContact O-CE2 3.25Å; L819-F824 WeakPolarHBondContact O-CE2 3.38Å; D820-F824 WeakPolarHBondContact O-CD2 3.44Å; D820-F824 PolarHBondContact O-N 3.09Å; A822-F824 VanDerWaalsContact C-N 3.34Å; A822-F824 PolarHBondContact O-N 3.3Å; F824-G828 PolarHBondContact O-N 3.16Å; F824-G828 VanDerWaalsContact O-N 3.11Å
825R72.3Confident56.1Low147 Ų147116.5 Ų116.556%0.55563%0.627SS**Hα-helixtrans-71.1-36.6175.2-76.1173.4-70.7-164.22.8112.1Q821 A822 G823 G828 H829Q821-R825 VanDerWaalsContact C-NH2 3.34Å; Q821-R825 WeakPolarHBondContact O-CG 3.2Å; Q821-R825 PolarHBondContact O-N 3.15Å; Q821-R825 PolarHBondContact O-NE 3.16Å; Q821-R825 PolarHBondContact O-NH2 3.05Å; A822-R825 CarbonylContact O-C 3.57Å; A822-R825 WeakPolarHBondContact O-CA 3.39Å; A822-R825 WeakPolarHBondContact O-CB 3.33Å; A822-R825 PolarHBondContact O-N 3.14Å; G823-R825 VanDerWaalsContact C-N 3.33Å; G823-R825 PolarHBondContact O-N 3.05Å; R825-G828 PolarHBondContact O-N 3.25Å; R825-H829 PolarHBondContact O-CD2 2.81Å; R825-H829 PolarHBondContact O-N 3.23Å
826A69.8Low55.3Low57 Ų57116.6 Ų116.647%0.47163%0.627SS.*Hα-helixtrans-65-43.7176.600000112.3A822 G823 H829 S830A822-A826 PolarHBondContact O-N 3.28Å; G823-A826 PolarHBondContact O-N 3.2Å; A826-H829 PolarHBondContact O-N 3.21Å; A826-S830 PolarHBondContact O-N 2.97Å; A826-S830 PolarHBondContact O-OG 2.66Å
827L63.1Low54.1Low81 Ų81121.1 Ų121.142%0.42465%0.645SS.*Hα-helixtrans-64.2-39.4173-73.4172.6000112.2L819 G823 H829 S830 L831L819-L827 HydrophobicContact CD1-CD1 3.53Å; G823-L827 PolarHBondContact O-N 3.38Å; L827-H829 PolarHBondContact O-N 2.97Å; L827-S830 WeakPolarHBondContact CA-OG 3.5Å; L827-S830 PolarHBondContact O-N 2.75Å; L827-S830 PolarHBondContact O-OG 2.82Å; L827-L831 PolarHBondContact O-N 3.28Å
828G58Low52.8Low62 Ų62128 Ų12864%0.63965%0.649SS**Hα-helixtrans-62-19.8174.500000114.8F824 R825F824-G828 PolarHBondContact O-N 3.16Å; F824-G828 VanDerWaalsContact O-N 3.11Å; R825-G828 PolarHBondContact O-N 3.25Å
829H54.6Low51.4Low177 Ų177124.4 Ų124.482%0.81965%0.652SS**Hα-helixtrans-96.4-17.3175.3-88.1-72.3000114.6R825 A826 L827R825-H829 PolarHBondContact O-CD2 2.81Å; R825-H829 PolarHBondContact O-N 3.23Å; A826-H829 PolarHBondContact O-N 3.21Å; L827-H829 PolarHBondContact O-N 2.97Å
830S45.5Very low49.8Very low81 Ų81128.4 Ų128.457%0.56667%0.668SS**Hα-helixtrans-106.8-13.5-171.944.60000114.6A826 L827 P832A826-S830 PolarHBondContact O-N 2.97Å; A826-S830 PolarHBondContact O-OG 2.66Å; L827-S830 WeakPolarHBondContact CA-OG 3.5Å; L827-S830 PolarHBondContact O-N 2.75Å; L827-S830 PolarHBondContact O-OG 2.82Å; S830-P832 WeakPolarHBondContact O-CD 3.5Å
831L38.8Very low48.1Very low132 Ų132134.3 Ų134.369%0.69169%0.685SS**SBendtrans-88.6114.8173.6-72.2169.9000111.7L827 R833L827-L831 PolarHBondContact O-N 3.28Å; L831-R833 PolarHBondContact O-N 3.31Å
832P39.8Very low46.6Very low118 Ų118133.4 Ų133.477%0.76669%0.694SS**  trans-66.4132173.627.5-33.4000110.5S830 A834S830-P832 WeakPolarHBondContact O-CD 3.5Å; P832-A834 VanDerWaalsContact C-N 3.26Å; P832-A834 PolarHBondContact O-N 3.27Å
833R42Very low44.8Very low248 Ų248139.6 Ų139.694%0.93672%0.72SS**  trans-7767.1-171.1-165.6-177.2-175.8179.32.9113L831L831-R833 PolarHBondContact O-N 3.31Å
834A35.1Very low42.9Very low86 Ų86143.6 Ų143.671%0.71175%0.752SS**  trans-59.3146.6169.400000111.1P832 Q836P832-A834 VanDerWaalsContact C-N 3.26Å; P832-A834 PolarHBondContact O-N 3.27Å; A834-Q836 PolarHBondContact O-N 3.32Å; A834-Q836 VanDerWaalsContact O-N 3.11Å
835Q40.1Very low40.8Very low195 Ų195142 Ų14291%0.91176%0.762SS**  trans-72.9104.2-171.7-67.7169.7-81.600111.9
836Q34.8Very low38.8Very low192 Ų192140.6 Ų140.690%0.89777%0.772SS**  trans-74.2135.9166.1-83.2-172.9-29.900111.8A834A834-Q836 PolarHBondContact O-N 3.32Å; A834-Q836 VanDerWaalsContact O-N 3.11Å
837F28.9Very low37.1Very low202 Ų202144 Ų14489%0.88679%0.789SS**  trans-57140.9169.5-85.1-121.6000111.1G839F837-G839 PolarHBondContact O-N 3.45Å
838R30Very low35.4Very low248 Ų248145.5 Ų145.594%0.93681%0.806SS**  trans-76.199.9168.1-83.8-174.3168.3-171.1-3.4110.8
839G26.9Very low34Very low71 Ų71146.7 Ų146.773%0.73281%0.805SS**  trans-70.7148.3149.600000110.3F837F837-G839 PolarHBondContact O-N 3.45Å
840Q31.8Very low32.8Very low174 Ų174148.9 Ų148.981%0.81381%0.807SS**  trans-82.7164.9179.9-71.8171.7-37.200112.7
841Y26.6Very low31.8Very low219 Ų219153.2 Ų153.286%0.85982%0.819SS**  trans103.792.9170.2-65.4-69.4000118
842S29.1Very low31.4Very low121 Ų121156.5 Ų156.585%0.84683%0.83SS**  trans-168.8110.5141.9-81.70000109.2
843N30.2Very low30.8Very low179 Ų179154.4 Ų154.496%0.95783%0.831SS**  trans-85.5119.1172-80.9-8.9000109.7
844A30.9Very low30Very low99 Ų99147 Ų14782%0.81882%0.817SS**  trans-144.9140.2165.500000108.9
845A28.3Very low29.6Very low92 Ų92152.9 Ų152.976%0.7682%0.822SS**PPolyproline II helixtrans-75.2152.2-174.500000112.5
846P31.4Very low28.9Very low118 Ų118148.9 Ų148.977%0.76682%0.816SS**PPolyproline II helixtrans-69.1143.1175.729.3-34.9000111.5
847P33Very low28.5Very low128 Ų128150.4 Ų150.483%0.83181%0.813SS**PPolyproline II helixtrans-65.3143.4167.8-17.631.3000111.2
848S27.2Very low28.4Very low113 Ų113149.5 Ų149.579%0.7981%0.811SS**PPolyproline II helixtrans-66144.2170.2-171.60000111
849S29.1Very low28.4Very low87 Ų87141.4 Ų141.461%0.60880%0.798SS**PPolyproline II helixtrans-65.4154159.448.40000111
850Y28.7Very low28.4Very low223 Ų223146.6 Ų146.688%0.87580%0.802SS**  -162.5165.4112.8-112.4-79.7000111.2
851H26.1Very low28.2Very low173 Ų173142.9 Ų142.980%0.80180%0.795SS**  trans-98.4179.3-171.4-88.3-87.7000114
852Q29.9Very low28.2Very low200 Ų200137.8 Ų137.894%0.93579%0.792SS**  trans89.6142.2168.3-51-178.58.200115.3
853G26.5Very low28.1Very low75 Ų75136 Ų13677%0.77379%0.792SS**  cis-160.2156.5-0.700000113.3
854S24.7Very low28Very low93 Ų93136.2 Ų136.265%0.6579%0.788SS**  trans-74.9142.9-174.8178.40000113.4
855Y27.7Very low28Very low208 Ų208139 Ų13982%0.81678%0.783SS**  171152106.3-102.4-74.5000116.6
856S25.7Very low28Very low111 Ų111141.6 Ų141.678%0.77678%0.78SS**  trans79.5135.3149.4-68.70000122.3
857R25.7Very low28Very low224 Ų224144.5 Ų144.585%0.84578%0.78SS**  trans-85.4164168.2-55.9165.3172163.3-5.8109.7
858H27.9Very low27.7Very low184 Ų184146.7 Ų146.785%0.85278%0.78SS**  -166.7-179.5107-100.5-72.7000109.9
859A28.1Very low28Very low78 Ų78149.2 Ų149.265%0.64578%0.779SS**  trans-133.5-161.6-161.300000113.1
860H27.7Very low28Very low180 Ų180149.5 Ų149.583%0.83378%0.78SS**  trans78.8155.6-179.5-44.5-76.3000115.8
861S26.7Very low28.1Very low95 Ų95149.1 Ų149.166%0.66478%0.778SS**  cis-174.7145.4-35.2-173.80000109.4
862S26.8Very low28.5Very low113 Ų113148 Ų14879%0.7977%0.773SS**  trans40.8126.3148.358.20000122.6
863G27Very low28.5Very low82 Ų82145.7 Ų145.785%0.84577%0.767SS**  trans-173.5145.1162.500000113.9
864Q29.6Very low28.7Very low185 Ų185146.6 Ų146.686%0.86477%0.767SS**  trans-101.6164.7-164.5-71.8171.9-65.400117.3
865Q29.9Very low29.8Very low156 Ų156147.2 Ų147.273%0.72977%0.769SS**  trans-27.8157.2160.9-52.8154.4-47.500116.9
866H29.5Very low30Very low148 Ų148145.3 Ų145.369%0.68577%0.767SS**  -179.1145.764.5-124.9-78.9000114.7
867F30.2Very low30Very low178 Ų178151.1 Ų151.178%0.78177%0.772SS**  trans8.5143.1155.9-82.6-105.8000126
868Q27.7Very low30.7Very low175 Ų175146 Ų14682%0.81877%0.768SS**  -176.4148.4108.5-98.2-172.324.200117.3
869H31.7Very low32.2Very low166 Ų166143 Ų14377%0.76976%0.764SS**  trans11.8161149.2-72.8-47.2000125.6
870S30.3Very low33Very low92 Ų92144.6 Ų144.664%0.64377%0.769SS**  cis-178.4167.6-12-173.30000113.6
871R31.1Very low33.2Very low216 Ų216141.3 Ų141.382%0.81577%0.766SS**  trans70.7157160.1-81.4-176.8-174.3-1752.9120.3
872Q34.4Very low33.3Very low149 Ų149146.2 Ų146.270%0.69678%0.776SS**  cis-170.9174.9-22.3-145.6166.2-3.500112.8
873N29.1Very low33.4Very low151 Ų151145.4 Ų145.481%0.80777%0.77SS**  trans95161.1157.2-63.8-7.5000123.8
874A30.3Very low33.4Very low94 Ų94147.4 Ų147.478%0.77777%0.771SS**  trans-157.2-154.1-172.500000109.4
875P48.8Very low33.5Very low106 Ų106145.3 Ų145.369%0.68877%0.77SS**  cis-149-162.6-0.244.4-21.4000118.3
876Q31.5Very low34.8Very low168 Ų168143 Ų14379%0.78577%0.769SS**  trans84.6120.2149.9-76.9-176.954.500126.5
877R26.3Very low35.8Very low233 Ų233142 Ų14288%0.87978%0.776SS**  trans47.7171.1134.7-77.9-173.1171.4-149.3-2.4122.9
878P40.7Very low36.8Very low118 Ų118139.3 Ų139.377%0.76678%0.776SS**  cis-131.3-173.2-929.4-4.5000116.5
879P58.1Low37.1Very low119 Ų119140.5 Ų140.577%0.77378%0.779SS**  trans-115.9176.5-178.243.5-34.1000116.2
880P46.3Very low38.1Very low113 Ų113138 Ų13873%0.73478%0.778SS**  -163.5-179.89842.7-21.5000120.2
881S30.3Very low38.1Very low111 Ų111143.9 Ų143.978%0.77679%0.786SS**  trans70162.4150.959.70000123.5
882F29.9Very low38.1Very low198 Ų198139.9 Ų139.987%0.86878%0.776SS**  cis-167.5153.1-45.8-146.1-122.5000115.5
883S28.2Very low37.9Very low95 Ų95140.9 Ų140.966%0.66478%0.781SS**  trans41.8132.5154.664.20000127.4
884S27.9Very low38Very low125 Ų125142.3 Ų142.387%0.87478%0.783SS**  -175.8-175.3128.5470000113.3
885V31.5Very low38.8Very low140 Ų140142.6 Ų142.685%0.84878%0.776SS**  trans-131.2148.1-149.5176.80000115.7
886P57.4Low37.8Very low108 Ų108147.8 Ų147.870%0.70178%0.784SS**  trans-101.6168.4177.540.2-36.8000115.6
887P49.4Very low37.6Very low127 Ų127151.2 Ų151.283%0.82579%0.79SS**  -149.3-148.2116.638.3-15.9000114.8
888P52Low37.5Very low121 Ų121143.8 Ų143.879%0.78679%0.786SS**  -133.7-174.1-98.944.6-25.7000118.9
889F35Very low36.8Very low200 Ų200142.4 Ų142.488%0.87779%0.793SS**  trans-61.9175.9167.7-75.7-75.9000114.6
890P50.9Low35.2Very low115 Ų115139.7 Ų139.775%0.74779%0.786SS**  cis-160.2173.135.847.6-24.9000123.4
891R30.9Very low34.4Very low214 Ų214144 Ų14481%0.80880%0.796SS**  trans37.6133.4140.1-82.1-172.2167.6-162.60.7125.8
892Q31.6Very low34.2Very low133 Ų133141.8 Ų141.862%0.62179%0.791SS**  120137.3111.2-100-172.93.600123.8
893Q28.9Very low33.9Very low170 Ų170144 Ų14479%0.79479%0.794SS**  trans78.8161.5147-67.6-172.178.200122.8
894Q32.7Very low33.8Very low181 Ų181145.5 Ų145.585%0.84679%0.794SS**  trans-111.1-164.2-173.4-54.1-170.9-13.800110.6
895P46.3Very low33.8Very low99 Ų99150.1 Ų150.164%0.64379%0.793SS**  cis-144.3-179.7-3.342.5-22.3000119.4
896Y27.4Very low33.5Very low215 Ų215147.7 Ų147.784%0.84379%0.787SS**  trans85.2132.4144.1-104.8-69.6000124.5
897R27.3Very low32Very low241 Ų241149.9 Ų149.991%0.90979%0.792SS**  trans90.8125137.9-136.1-179.6-159.2-155.25.7122.1
898G24.8Very low31Very low77 Ų77152.6 Ų152.679%0.79479%0.794SS**  trans132.4108.9136.100000121.3
899G25.8Very low29.8Very low89 Ų89150.7 Ų150.792%0.91879%0.788SS**  trans69.2162153.100000119.8
900G25.6Very low29.5Very low61 Ų61149 Ų14963%0.62978%0.783SS**  cis160114.4-15.100000115.5
901H28.4Very low28.3Very low204 Ų204151.1 Ų151.194%0.94478%0.783SS**  trans66.5153.6170.8-42.1-81.7000117.5
902G25.5Very low28.1Very low65 Ų65146.5 Ų146.567%0.6778%0.783SS**  cis174.9144.3-13.600000115.9
903W24Very low27.9Very low244 Ų244144.2 Ų144.292%0.92479%0.788SS**  trans65.5150.5153.3-65.699.9000125.6
904D26.1Very low27.8Very low127 Ų127146.4 Ų146.468%0.67979%0.79SS**  trans75.6145.1162-75.5-29.3000121.7
905R27.6Very low27.5Very low222 Ų222144.4 Ų144.484%0.83878%0.781SS**  cis-169.3154.4-27.6-145.1177.9-175.1170.20.2111.3
906A25.9Very low26.6Very low89 Ų89146.9 Ų146.974%0.73678%0.784SS**  trans65160.9161.200000118
907L25.7Very low26.5Very low154 Ų154143.7 Ų143.781%0.80678%0.781SS**  cis-163.9165.7-24.1-115.9162.7000109.7
908Q28.2Very low26.5Very low184 Ų184140.1 Ų140.186%0.8678%0.779SS**  trans65.5161.9166.8-67.6176.1-1600118.1
909A26.8Very low26.5Very low81 Ų81142.8 Ų142.867%0.66978%0.775SS**  cis-166.8162-32.900000112.3
910Q28.3Very low26.5Very low163 Ų163149.7 Ų149.776%0.76277%0.774SS**  trans63.2124.5155.3-82-177.7-48.800124.7
911Q26.5Very low26.5Very low160 Ų160150.8 Ų150.875%0.74879%0.785SS**  58.8113.2128.7-67179.2-10.600124.2
912S27.2Very low26.3Very low117 Ų117144.4 Ų144.482%0.81878%0.775SS**  47.5121.3118.6-50.90000123.1
913A26.8Very low26.4Very low86 Ų86148.7 Ų148.771%0.71179%0.788SS**  152.3141.8108.600000115.2
914Y27Very low26.5Very low215 Ų215140 Ų14084%0.84377%0.774SS**  trans54.3148.6145.8-80.9-117.9000119.3
915Q26.9Very low27Very low140 Ų140140.4 Ų140.465%0.65478%0.783SS**  cis-165.1164.320.1-151.2161.23.800114.1
916Q26.9Very low26.8Very low151 Ų151133.5 Ų133.571%0.70678%0.781SS**  trans64.7107.7147.2-92.9159.617.800124.7
917N25.8Very low26.8Very low147 Ų147132.4 Ų132.479%0.78678%0.779SS**  24.8136.3120-65.4-13.2000122.3
918L26.1Very low26.7Very low166 Ų166135.6 Ų135.687%0.86978%0.782SS**  -167.789.2114.4-104.8157.4000115.8
919N25.4Very low26.6Very low133 Ų133133.6 Ų133.671%0.71177%0.772SS**  56.7145.6124.4-152.914.8000124.3
920R25.5Very low26.6Very low234 Ų234135.1 Ų135.188%0.88377%0.766SS**  trans73.2134.6154.8-93.9177.8177.6-174.7-0.5121.4
921G26Very low26.5Very low84 Ų84136.2 Ų136.287%0.86676%0.763SS**  trans146126.9162.700000112.2
922G24.9Very low26.5Very low71 Ų71136.8 Ų136.873%0.73276%0.759SS**  trans-162.7-165.4179.100000112.5
923V27.4Very low26.6Very low155 Ų155135.3 Ų135.394%0.93974%0.742SS**  trans79.9129.1-175.6-171.10000114.3
924G26.1Very low26.6Very low62 Ų62138.7 Ų138.764%0.63974%0.743SS**  trans-121.3165.3165.300000110.8
925P35.8Very low26.6Very low135 Ų135136.3 Ų136.388%0.87773%0.733SS**  -138.3-177.9113.424.5-3.9000111.3
926G24.1Very low26.6Very low76 Ų76137.9 Ų137.978%0.78473%0.733SS**  cis130.1116-1.300000112.4
927G24.7Very low26.8Very low67 Ų67136.8 Ų136.869%0.69173%0.727SS**  trans113.3136.2-175.700000111.8
928Y24.1Very low27Very low221 Ų221136.1 Ų136.187%0.86772%0.724SS**  cis63.6137.243.5-67.7-53.7000112.7
929Q25.5Very low27.1Very low142 Ų142140 Ų14066%0.66473%0.727SS**  cis-161.7141.617-130.1173.224.900110.2
930Q26.7Very low27.1Very low113 Ų113137 Ų13753%0.52873%0.728SS.*  109.3134.493.1-125.4-176.261.200115.6
931R26.9Very low27.3Very low185 Ų185131.9 Ų131.970%0.69872%0.718SS**  trans55.7177.9146.2-73.4173.2-176.4-174.1-2.4118.3
932Y26.2Very low27.4Very low173 Ų173138.1 Ų138.168%0.67872%0.715SS**  cis-140.3-174.712.5-94.5-79.1000110
933D29.1Very low27.6Very low86 Ų86145.2 Ų145.246%0.4672%0.72SS.*  cis-118.1-121.1-5.6-166.86.4000108.8R935D933-R935 IonicContact OD2-CZ 3.66Å; D933-R935 IonicContact OD2-NE 3.95Å; D933-R935 PolarHBondContact OD2-NE 2.71Å; D933-R935 IonicContact OD2-NH2 2.94Å
934Q27.8Very low27.7Very low156 Ų156144.2 Ų144.273%0.72971%0.709SS**  cis-161.9139.2-17.3-145139.480.100106.1
935R27.7Very low27.6Very low166 Ų166146.8 Ų146.863%0.62671%0.708SS**  cis-172.2168.9-15.6-127.9-174.1-144.3-164.23.8111D933D933-R935 IonicContact OD2-CZ 3.66Å; D933-R935 IonicContact OD2-NE 3.95Å; D933-R935 PolarHBondContact OD2-NE 2.71Å; D933-R935 IonicContact OD2-NH2 2.94Å
936R27Very low27.2Very low173 Ų173151.5 Ų151.565%0.65371%0.708SS**  trans74.4151141.7-81.7-177.7162.3-144.3-23.1120.2
937E30.4Very low27.3Very low127 Ų127151.4 Ų151.459%0.59371%0.708SS**  cis-166.1154.2-17.6-138.2151.1-138.800106.2
938D29.9Very low27.4Very low133 Ų133156.3 Ų156.371%0.71171%0.713SS**  cis-174.5-153-28.1-162.9-24.7000105.9
939W27Very low27.6Very low249 Ų249152.5 Ų152.594%0.94370%0.703SS**  trans79.2130174-5384.9000116.2
940G26.4Very low27.8Very low70 Ų70153.7 Ų153.772%0.72271%0.708SS**  cis-175.9156.8-6.100000116.6
941D29.5Very low27.9Very low125 Ų125152.5 Ų152.567%0.66872%0.718SS**  trans-34.9166.1162.8-94.7-38.5000117.9
942R28.7Very low28Very low215 Ų215155.9 Ų155.981%0.81173%0.73SS**  cis-159.8-173.49.2-139.7160.3-114.1-172.77.4113.5
943R27.8Very low28.1Very low221 Ų221151.2 Ų151.283%0.83474%0.735SS**  trans-73.6160.6172.5-49.8168.6177.7162.2-2.7113.8
944D29.5Very low28.2Very low134 Ų134157.3 Ų157.372%0.71776%0.758SS**  176.6150.4101.4-112.912.6000119.2
945N25.9Very low28.6Very low115 Ų115155.6 Ų155.662%0.61576%0.76SS**  trans58.6133.3146-95-51.4000127.2
946R27.3Very low28.9Very low234 Ų234155.6 Ų155.688%0.88377%0.772SS**  trans63.1133.7140.3-71.4162.5-170.9-156.2-0.9122.8
947G25.2Very low29.6Very low75 Ų75152.7 Ų152.777%0.77378%0.775SS**  trans16761.5156.700000122
948Q28Very low30.2Very low169 Ų169152.3 Ų152.379%0.7978%0.784SS**  trans32.6125.4151.2-65.6-165.315.200124.9
949Q28Very low30.4Very low142 Ų142152 Ų15266%0.66479%0.789SS**  86.7137126.4-72.9-166.162.400125.7
950Q28.5Very low30.7Very low167 Ų167145.1 Ų145.178%0.7878%0.779SS**  trans77.287.1145.8-71.8-174.961.100124.2
951A29.2Very low30.9Very low87 Ų87153.4 Ų153.472%0.71979%0.788SS**  70132.310300000125
952R29.1Very low31Very low257 Ų257155.3 Ų155.397%0.9779%0.793SS**  trans75.5135.6152.4-68.3178.4178.2-1690.1120.8
953G27.6Very low31.2Very low75 Ų75152.4 Ų152.477%0.77379%0.792SS**  trans148.992.8154.200000116.4
954F32.7Very low31.2Very low214 Ų214149.7 Ų149.794%0.93979%0.788SS**PPolyproline II helixtrans-102.7132.9163.2-92.9-80.5000110
955P35.2Very low31.2Very low119 Ų119154.9 Ų154.977%0.77380%0.798SS**PPolyproline II helixtrans-93145158.6-1.521.6000111.3
956L33.5Very low31.7Very low167 Ų167156.1 Ų156.187%0.87480%0.804SS**PPolyproline II helixtrans-93.5145.9170.2-71.4163.8000110.6
957P42.3Very low32Very low111 Ų111155.9 Ų155.972%0.72182%0.821SS**PPolyproline II helixtrans-72.1154.6164.331.7-33.6000111.3
958P42.2Very low32.4Very low120 Ų120159.9 Ų159.978%0.77982%0.823SS**PPolyproline II helixtrans-76.7159.7-173.231.2-36.3000114.1
959P34Very low32.6Very low126 Ų126159.4 Ų159.482%0.81883%0.825SS**PPolyproline II helixtrans-75160.5-177.531.4-36.6000114.1
960S35.1Very low32.8Very low105 Ų105160.4 Ų160.473%0.73483%0.834SS**PPolyproline II helixtrans-68.2154-178.546.40000114.3
961R30Very low33.1Very low243 Ų243160 Ų16092%0.91784%0.837SS**  trans-114.1121.3161.2-79.4-172.5170.3-170.1-3109.8
962H32Very low33.3Very low166 Ų166164.6 Ų164.677%0.76984%0.844SS**  trans-71.4143.1162.8-74-102000109.9
963I32.2Very low33.6Very low153 Ų153158.4 Ų158.479%0.78584%0.836SS**  trans-130.8130.1155.7-64.3-176.8000106.5
964H27.8Very low34.1Very low164 Ų164164.4 Ų164.476%0.75984%0.84SS**  trans-78.4146176.3-79.7-105.4000110.9
965W29.7Very low34.2Very low243 Ų243160.5 Ų160.592%0.9283%0.833SS**  trans-96.3143.4154.5-7678.4000108.7
966N35.8Very low34.1Very low141 Ų141164 Ų16475%0.75484%0.838SS**  trans-154.6128.9180-147.349.6000108.8
967N34.5Very low34.1Very low229 Ų229163.7 Ų163.7100%1.22584%0.835SS**  trans66.30-169.8-59.30.2000115.1

Retrieved 967 of 967 residues in 827.2 ms (Link to these results)

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