A0A096N3L7_PAPAN Loading...

Ubiquitin-conjugating enzyme E2 K

AlphaFold DB (P61087), UniProt , Accession A0A096N3L7, Species PAPAN (Papio anubis, Olive baboon), Gene UBE2K, Length 200 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
1M73.1Confident90.6Very high68 Ų6864.9 Ų64.934%0.33532%0.32SS..  0143.20-95.9-161.2-6800111.4A5 V6 N35 F36 T37 I62M1-A5 HydrophobicContact CB-CB 4.35Å; M1-A5 HydrophobicContact CG-CB 4.22Å; M1-A5 HydrophobicContact SD-CB 3.67Å; M1-V6 HydrophobicContact CB-CG2 3.84Å; M1-V6 HydrophobicContact CE-CG2 4.34Å; M1-N35 WeakPolarHBondContact CE-O 3.49Å; M1-F36 HydrophobicContact CE-CB 3.59Å; M1-F36 WeakPolarHBondContact CE-O 3.4Å; M1-T37 HydrophobicContact CE-CG2 3.74Å; M1-T37 HydrophobicContact CG-CG2 4.07Å; M1-T37 HydrophobicContact SD-CG2 4.41Å; M1-I62 HydrophobicContact SD-CB 4.41Å; M1-I62 HydrophobicContact SD-CG2 3.81Å
2A82.6Confident91.2Very high53 Ų5359.5 Ų59.544%0.43829%0.293SS..  trans-67154172.400000111.8I4 A5 V6A2-I4 HydrophobicContact CB-CG2 4.19Å; A2-I4 PolarHBondContact O-N 2.99Å; A2-A5 WeakPolarHBondContact O-CB 3.37Å; A2-A5 PolarHBondContact O-N 3.37Å; A2-V6 PolarHBondContact O-N 3.34Å
3N88Confident91.5Very high119 Ų11957.2 Ų57.264%0.63628%0.28SS*.Hα-helixtrans-55.5-38.6-177.9-174.830000112.4A5 V6 Q7N3-A5 PolarHBondContact O-N 3.49Å; N3-V6 PolarHBondContact O-N 2.74Å; N3-Q7 VanDerWaalsContact O-CG 3.31Å; N3-Q7 WeakPolarHBondContact O-CG 3.37Å; N3-Q7 PolarHBondContact O-N 3.41Å; N3-Q7 PolarHBondContact OD1-NE2 3.31Å
4I92.2Very high91.8Very high84 Ų8462.4 Ų62.443%0.43130%0.301SS..Hα-helixtrans-58.7-44.7177.5-168.3171.6000112.3A2 Q7 R8 F68A2-I4 HydrophobicContact CB-CG2 4.19Å; A2-I4 PolarHBondContact O-N 2.99Å; I4-Q7 PolarHBondContact O-N 3.18Å; I4-R8 WeakPolarHBondContact O-CB 3.5Å; I4-R8 VanDerWaalsContact O-CG 3.22Å; I4-R8 WeakPolarHBondContact O-CG 3.27Å; I4-R8 PolarHBondContact O-N 3.09Å; I4-F68 HydrophobicContact CD1-CE2 4.26Å; I4-F68 HydrophobicContact CD1-CZ 4.15Å
5A92.1Very high92.2Very high0 Ų062.8 Ų62.80%030%0.302CS..Hα-helixtrans-64.4-46.7179.900000110.8M1 A2 N3 Q7 R8 I9 Y66M1-A5 HydrophobicContact CB-CB 4.35Å; M1-A5 HydrophobicContact CG-CB 4.22Å; M1-A5 HydrophobicContact SD-CB 3.67Å; A2-A5 WeakPolarHBondContact O-CB 3.37Å; A2-A5 PolarHBondContact O-N 3.37Å; N3-A5 PolarHBondContact O-N 3.49Å; A5-Q7 PolarHBondContact O-N 3.39Å; A5-R8 WeakPolarHBondContact O-CB 3.36Å; A5-R8 PolarHBondContact O-N 3.22Å; A5-I9 WeakPolarHBondContact O-CG1 3.42Å; A5-I9 PolarHBondContact O-N 3Å; A5-Y66 WeakPolarHBondContact CB-O 3.35Å
6V91.8Very high92.5Very high27 Ų2758.9 Ų58.916%0.16428%0.283CS..Hα-helixtrans-61.4-45179.6178.70000111.5M1 A2 N3 R8 K10 F36M1-V6 HydrophobicContact CB-CG2 3.84Å; M1-V6 HydrophobicContact CE-CG2 4.34Å; A2-V6 PolarHBondContact O-N 3.34Å; N3-V6 PolarHBondContact O-N 2.74Å; V6-R8 VanDerWaalsContact C-N 3.35Å; V6-K10 HydrophobicContact CG1-CD 4.07Å; V6-K10 HydrophobicContact CG1-CG 4.46Å; V6-K10 WeakPolarHBondContact O-CB 3.36Å; V6-K10 WeakPolarHBondContact O-CG 3.4Å; V6-K10 PolarHBondContact O-N 3.09Å; V6-F36 HydrophobicContact CG1-CD2 4.33Å
7Q94.2Very high92.7Very high107 Ų10760.8 Ų60.850%0.530%0.295SS..Hα-helixtrans-65-39.8178.4-65.5-59.9-25.600111.8N3 I4 A5 R11N3-Q7 VanDerWaalsContact O-CG 3.31Å; N3-Q7 WeakPolarHBondContact O-CG 3.37Å; N3-Q7 PolarHBondContact O-N 3.41Å; N3-Q7 PolarHBondContact OD1-NE2 3.31Å; I4-Q7 PolarHBondContact O-N 3.18Å; A5-Q7 PolarHBondContact O-N 3.39Å; Q7-R11 WeakPolarHBondContact O-CB 3.35Å; Q7-R11 PolarHBondContact O-N 2.93Å; Q7-R11 VanDerWaalsContact O-N 3.08Å
8R96.3Very high92.9Very high37 Ų3767.6 Ų67.614%0.1432%0.322CS..Hα-helixtrans-60.7-54.8175.2-76.7-68.8-60-111.9-1111.5I4 A5 V6 K10 R11 E12 Y66 P67 A102 M104I4-R8 WeakPolarHBondContact O-CB 3.5Å; I4-R8 VanDerWaalsContact O-CG 3.22Å; I4-R8 WeakPolarHBondContact O-CG 3.27Å; I4-R8 PolarHBondContact O-N 3.09Å; A5-R8 WeakPolarHBondContact O-CB 3.36Å; A5-R8 PolarHBondContact O-N 3.22Å; V6-R8 VanDerWaalsContact C-N 3.35Å; R8-K10 PolarHBondContact O-N 2.97Å; R8-R11 WeakPolarHBondContact O-CB 3.42Å; R8-R11 PolarHBondContact O-N 3.35Å; R8-R11 VanDerWaalsContact O-N 3.11Å; R8-E12 IonicContact CZ-OE1 3.32Å; R8-E12 IonicContact NE-OE1 2.89Å; R8-E12 PolarHBondContact NE-OE1 3.46Å; R8-E12 IonicContact NH2-OE1 2.87Å; R8-E12 PolarHBondContact NH2-OE1 3.21Å; R8-E12 WeakPolarHBondContact O-CG 3.5Å; R8-E12 PolarHBondContact O-N 3.02Å; R8-Y66 HydrophobicContact CB-CD1 4.12Å; R8-Y66 HydrophobicContact CB-CE1 3.97Å; R8-P67 HydrophobicContact CG-CB 4.43Å; R8-P67 HydrophobicContact CG-CG 4.11Å; R8-A102 VanDerWaalsContact CZ-O 3.29Å; R8-A102 PolarHBondContact NH1-O 2.91Å; R8-A102 PolarHBondContact NH2-O 3.36Å; R8-M104 PolarHBondContact NH2-O 3.3Å
9I95.5Very high93.1Very high0 Ų064.6 Ų64.60%031%0.31CS..Hα-helixtrans-62.1-42.6-178.9-62.4-60.5000111.4A5 R11 E12 F13 F36 L39 I62 Y66 L106A5-I9 WeakPolarHBondContact O-CG1 3.42Å; A5-I9 PolarHBondContact O-N 3Å; I9-R11 VanDerWaalsContact C-N 3.27Å; I9-R11 PolarHBondContact O-N 3.24Å; I9-E12 PolarHBondContact O-N 3.46Å; I9-F13 WeakPolarHBondContact O-CB 3.49Å; I9-F13 PolarHBondContact O-N 3.11Å; I9-F36 HydrophobicContact CB-CB 4.39Å; I9-F36 HydrophobicContact CG2-CB 3.91Å; I9-F36 HydrophobicContact CG2-CD1 3.85Å; I9-F36 HydrophobicContact CG2-CG 4.28Å; I9-L39 HydrophobicContact CG2-CD1 4.17Å; I9-I62 HydrophobicContact CD1-CB 4.49Å; I9-I62 HydrophobicContact CD1-CD1 3.66Å; I9-I62 HydrophobicContact CD1-CG1 3.83Å; I9-I62 HydrophobicContact CD1-CG2 3.84Å; I9-I62 HydrophobicContact CG1-CG1 4.22Å; I9-I62 HydrophobicContact CG1-CG2 3.89Å; I9-Y66 HydrophobicContact CD1-CD1 3.6Å; I9-Y66 HydrophobicContact CD1-CE1 3.45Å; I9-Y66 VanDerWaalsContact CD1-CE1 3.45Å; I9-Y66 HydrophobicContact CD1-CG 4.29Å; I9-Y66 HydrophobicContact CG1-CD1 4.01Å; I9-Y66 HydrophobicContact CG1-CE1 4.23Å; I9-L106 HydrophobicContact CD1-CD1 4.45Å; I9-L106 HydrophobicContact CG2-CD1 4.49Å
10K94.3Very high93.3Very high81 Ų8167.7 Ų67.735%0.35232%0.324SS..Hα-helixtrans-58.8-39175.7-78.8-179.2178-178.80112.7V6 R8 K14 F36V6-K10 HydrophobicContact CG1-CD 4.07Å; V6-K10 HydrophobicContact CG1-CG 4.46Å; V6-K10 WeakPolarHBondContact O-CB 3.36Å; V6-K10 WeakPolarHBondContact O-CG 3.4Å; V6-K10 PolarHBondContact O-N 3.09Å; R8-K10 PolarHBondContact O-N 2.97Å; K10-K14 VanDerWaalsContact O-CG 3.3Å; K10-K14 WeakPolarHBondContact O-CG 3.25Å; K10-K14 PolarHBondContact O-N 3.35Å; K10-F36 HydrophobicContact CD-CE2 4.33Å; K10-F36 HydrophobicContact CD-CZ 4.21Å; K10-F36 VanDerWaalsContact CE-CZ 3.43Å; K10-F36 HydrophobicContact CG-CD1 4.35Å; K10-F36 HydrophobicContact CG-CE1 3.81Å; K10-F36 HydrophobicContact CG-CE2 4.1Å; K10-F36 HydrophobicContact CG-CZ 3.69Å
11R96.5Very high93.5Very high138 Ų13866.5 Ų66.552%0.52132%0.318SS..Hα-helixtrans-68.7-49.4177.6-175.3-175.368.5-149.75.6111Q7 R8 I9 K14 E15Q7-R11 WeakPolarHBondContact O-CB 3.35Å; Q7-R11 PolarHBondContact O-N 2.93Å; Q7-R11 VanDerWaalsContact O-N 3.08Å; R8-R11 WeakPolarHBondContact O-CB 3.42Å; R8-R11 PolarHBondContact O-N 3.35Å; R8-R11 VanDerWaalsContact O-N 3.11Å; I9-R11 VanDerWaalsContact C-N 3.27Å; I9-R11 PolarHBondContact O-N 3.24Å; R11-K14 PolarHBondContact O-N 2.87Å; R11-E15 PolarHBondContact O-N 3.5Å
12E97.6Very high94.5Very high0 Ų064.5 Ų64.50%031%0.31CS..Hα-helixtrans-69.1-35.2-177-65.7174.9-151.900112.3R8 I9 K14 E15 V16 Y66 T105 L106R8-E12 IonicContact CZ-OE1 3.32Å; R8-E12 IonicContact NE-OE1 2.89Å; R8-E12 PolarHBondContact NE-OE1 3.46Å; R8-E12 IonicContact NH2-OE1 2.87Å; R8-E12 PolarHBondContact NH2-OE1 3.21Å; R8-E12 WeakPolarHBondContact O-CG 3.5Å; R8-E12 PolarHBondContact O-N 3.02Å; I9-E12 PolarHBondContact O-N 3.46Å; E12-K14 PolarHBondContact O-N 2.86Å; E12-E15 WeakPolarHBondContact O-CB 3.44Å; E12-E15 PolarHBondContact O-N 3.29Å; E12-V16 WeakPolarHBondContact O-CG2 3.41Å; E12-V16 PolarHBondContact O-N 3.44Å; E12-Y66 PolarHBondContact OE1-OH 3.26Å; E12-Y66 PolarHBondContact OE2-OH 2.99Å; E12-T105 HydrophobicContact CG-CG2 3.94Å; E12-T105 WeakPolarHBondContact OE2-CA 3.37Å; E12-L106 HydrophobicContact CB-CB 4.33Å; E12-L106 HydrophobicContact CB-CD1 4.16Å; E12-L106 HydrophobicContact CB-CG 4.18Å; E12-L106 PolarHBondContact OE2-N 2.88Å
13F95.7Very high95.2Very high29 Ų2966.3 Ų66.313%0.12732%0.319CS..Hα-helixtrans-60.3-45.8172.1-175.4-93.8000111.3I9 E15 V16 L17 V29 L31I9-F13 WeakPolarHBondContact O-CB 3.49Å; I9-F13 PolarHBondContact O-N 3.11Å; F13-E15 VanDerWaalsContact C-N 3.31Å; F13-E15 PolarHBondContact O-N 3.41Å; F13-V16 PolarHBondContact O-N 2.94Å; F13-L17 HydrophobicContact CD1-CD1 3.79Å; F13-L17 HydrophobicContact CD1-CG 4.34Å; F13-L17 HydrophobicContact CE1-CD1 3.36Å; F13-L17 HydrophobicContact CE1-CG 4.05Å; F13-L17 HydrophobicContact CZ-CD1 4.1Å; F13-L17 HydrophobicContact CZ-CG 4.44Å; F13-L17 WeakPolarHBondContact O-CG 3.12Å; F13-L17 PolarHBondContact O-N 3.16Å; F13-V29 HydrophobicContact CD2-CB 4.47Å; F13-V29 HydrophobicContact CD2-CG1 3.55Å; F13-V29 HydrophobicContact CD2-CG2 4.19Å; F13-V29 HydrophobicContact CE2-CB 4.45Å; F13-V29 HydrophobicContact CE2-CG1 3.73Å; F13-V29 HydrophobicContact CE2-CG2 4.27Å; F13-V29 WeakPolarHBondContact CE2-O 3.48Å; F13-V29 HydrophobicContact CG-CG1 4.37Å; F13-L31 HydrophobicContact CD2-CD2 4.42Å; F13-L31 HydrophobicContact CD2-CG 4.26Å; F13-L31 HydrophobicContact CE1-CD1 4.06Å; F13-L31 HydrophobicContact CE1-CG 4.34Å; F13-L31 HydrophobicContact CE2-CD1 4.31Å; F13-L31 HydrophobicContact CE2-CD2 4.31Å; F13-L31 HydrophobicContact CE2-CG 3.69Å; F13-L31 HydrophobicContact CZ-CD1 3.9Å; F13-L31 HydrophobicContact CZ-CG 3.75Å
14K95.8Very high95.6Very high130 Ų13066.4 Ų66.457%0.56531%0.314SS*.Hα-helixtrans-65.7-33.6174.6-72.5174.9-177-179.40112.6K10 R11 E12 K18K10-K14 VanDerWaalsContact O-CG 3.3Å; K10-K14 WeakPolarHBondContact O-CG 3.25Å; K10-K14 PolarHBondContact O-N 3.35Å; R11-K14 PolarHBondContact O-N 2.87Å; E12-K14 PolarHBondContact O-N 2.86Å; K14-K18 WeakPolarHBondContact O-CB 3.46Å; K14-K18 WeakPolarHBondContact O-CG 3.41Å; K14-K18 PolarHBondContact O-N 2.75Å
15E97.4Very high95.8Very high69 Ų6967.6 Ų67.632%0.32232%0.321SS..Hα-helixtrans-62.3-49.6174.9-176.9-168.6155.500110.6R11 E12 F13 L17 K18 S19R11-E15 PolarHBondContact O-N 3.5Å; E12-E15 WeakPolarHBondContact O-CB 3.44Å; E12-E15 PolarHBondContact O-N 3.29Å; F13-E15 VanDerWaalsContact C-N 3.31Å; F13-E15 PolarHBondContact O-N 3.41Å; E15-L17 PolarHBondContact O-N 3.42Å; E15-K18 CarbonylContact O-C 3.55Å; E15-K18 PolarHBondContact O-N 3.35Å; E15-S19 WeakPolarHBondContact O-CB 3.45Å; E15-S19 PolarHBondContact O-N 3.24Å
16V97.1Very high96.1Very high0 Ų070.5 Ų70.50%033%0.334CS..Hα-helixtrans-60-49.3176.8177.90000110.5E12 F13 K18 S19 T22 I27 V29 L106 R107 L110E12-V16 WeakPolarHBondContact O-CG2 3.41Å; E12-V16 PolarHBondContact O-N 3.44Å; F13-V16 PolarHBondContact O-N 2.94Å; V16-K18 PolarHBondContact O-N 3.27Å; V16-K18 VanDerWaalsContact O-N 3.09Å; V16-S19 VanDerWaalsContact O-CB 3.26Å; V16-S19 WeakPolarHBondContact O-CB 3.42Å; V16-S19 PolarHBondContact O-N 2.93Å; V16-S19 PolarHBondContact O-OG 2.93Å; V16-T22 WeakPolarHBondContact O-CB 3.37Å; V16-T22 PolarHBondContact O-OG1 3.26Å; V16-I27 HydrophobicContact CG1-CD1 4.37Å; V16-I27 HydrophobicContact CG1-CG1 4.37Å; V16-V29 HydrophobicContact CB-CG1 3.7Å; V16-V29 HydrophobicContact CG1-CB 4.27Å; V16-V29 HydrophobicContact CG1-CG1 3.64Å; V16-V29 HydrophobicContact CG2-CG1 4.14Å; V16-L106 HydrophobicContact CG2-CB 4.13Å; V16-R107 HydrophobicContact CG2-CB 3.82Å; V16-L110 HydrophobicContact CG1-CD1 4.38Å
17L95.5Very high96.4Very high92 Ų9269.3 Ų69.348%0.48233%0.327SS..Hα-helixtrans-57.1-29.3179.8-75.4-179.7000114.3F13 E15F13-L17 HydrophobicContact CD1-CD1 3.79Å; F13-L17 HydrophobicContact CD1-CG 4.34Å; F13-L17 HydrophobicContact CE1-CD1 3.36Å; F13-L17 HydrophobicContact CE1-CG 4.05Å; F13-L17 HydrophobicContact CZ-CD1 4.1Å; F13-L17 HydrophobicContact CZ-CG 4.44Å; F13-L17 WeakPolarHBondContact O-CG 3.12Å; F13-L17 PolarHBondContact O-N 3.16Å; E15-L17 PolarHBondContact O-N 3.42Å
18K96.3Very high96.5Very high182 Ų18268 Ų6879%0.79132%0.319SS*.THydrogen-bonded Turntrans-99.21.1179.9-65.9-178.6-179.9-171.20113.3K14 E15 V16K14-K18 WeakPolarHBondContact O-CB 3.46Å; K14-K18 WeakPolarHBondContact O-CG 3.41Å; K14-K18 PolarHBondContact O-N 2.75Å; E15-K18 CarbonylContact O-C 3.55Å; E15-K18 PolarHBondContact O-N 3.35Å; V16-K18 PolarHBondContact O-N 3.27Å; V16-K18 VanDerWaalsContact O-N 3.09Å
19S97Very high96.6Very high12 Ų1266.2 Ų66.28%0.08431%0.313CS..SBendtrans-72.3149.7-175.673.30000111.8E15 V16 E21 T22 S23E15-S19 WeakPolarHBondContact O-CB 3.45Å; E15-S19 PolarHBondContact O-N 3.24Å; V16-S19 VanDerWaalsContact O-CB 3.26Å; V16-S19 WeakPolarHBondContact O-CB 3.42Å; V16-S19 PolarHBondContact O-N 2.93Å; V16-S19 PolarHBondContact O-OG 2.93Å; S19-E21 WeakPolarHBondContact CB-OE2 3.31Å; S19-E21 PolarHBondContact O-N 3.37Å; S19-T22 PolarHBondContact O-N 2.9Å; S19-T22 WeakPolarHBondContact OG-CB 3.5Å; S19-T22 PolarHBondContact OG-N 3.48Å; S19-T22 VanDerWaalsContact OG-N 3.1Å; S19-T22 PolarHBondContact OG-OG1 3.05Å; S19-T22 VanDerWaalsContact OG-OG1 3.09Å; S19-S23 PolarHBondContact O-N 3.14Å
20E97.1Very high96.6Very high126 Ų12669 Ų6959%0.58933%0.328SS*.Hα-helixtrans-63.5-30.2171.8-70.5-166.4-168.500112T22 S23 K24E20-T22 VanDerWaalsContact C-N 3.33Å; E20-S23 WeakPolarHBondContact CA-OG 3.43Å; E20-S23 PolarHBondContact O-N 3.42Å; E20-S23 PolarHBondContact O-OG 2.99Å; E20-K24 WeakPolarHBondContact O-CB 3.29Å; E20-K24 VanDerWaalsContact O-CG 3.29Å; E20-K24 WeakPolarHBondContact O-CG 3.3Å; E20-K24 PolarHBondContact O-N 3.18Å; E20-K24 IonicContact OE2-NZ 2.73Å; E20-K24 PolarHBondContact OE2-NZ 3.32Å
21E97Very high96.6Very high43 Ų4368.7 Ų68.720%0.20133%0.33CS..Hα-helixtrans-67.9-37179.4-62.685.3-170.200110.9S19 K24 N25 Q26 I27 R107 L111S19-E21 WeakPolarHBondContact CB-OE2 3.31Å; S19-E21 PolarHBondContact O-N 3.37Å; E21-K24 CarbonylContact O-C 3.49Å; E21-K24 PolarHBondContact O-N 2.82Å; E21-N25 PolarHBondContact O-N 3.04Å; E21-Q26 HydrophobicContact CB-CB 4.13Å; E21-Q26 WeakPolarHBondContact O-CB 3.11Å; E21-Q26 PolarHBondContact O-N 3.05Å; E21-I27 HydrophobicContact CB-CD1 3.88Å; E21-I27 HydrophobicContact CB-CG1 3.74Å; E21-R107 IonicContact OE1-CZ 3.64Å; E21-R107 IonicContact OE1-NE 3.09Å; E21-R107 IonicContact OE1-NH2 2.8Å; E21-R107 PolarHBondContact OE1-NH2 3.46Å; E21-R107 IonicContact OE2-CZ 2.75Å; E21-R107 IonicContact OE2-NE 2.74Å; E21-R107 PolarHBondContact OE2-NE 3.48Å; E21-R107 IonicContact OE2-NH2 3.69Å; E21-R107 PolarHBondContact OE2-NH2 2.75Å; E21-R107 VanDerWaalsContact OE2-NH2 3.09Å; E21-L111 HydrophobicContact CB-CD2 4.33Å; E21-L111 HydrophobicContact CG-CD2 3.9Å
22T95.6Very high96.4Very high26 Ų2665.5 Ų65.516%0.1633%0.325CS..Hα-helixtrans-68.3-40.1171.6-64.10000112.2V16 S19 E20 K24 N25 I27V16-T22 WeakPolarHBondContact O-CB 3.37Å; V16-T22 PolarHBondContact O-OG1 3.26Å; S19-T22 PolarHBondContact O-N 2.9Å; S19-T22 WeakPolarHBondContact OG-CB 3.5Å; S19-T22 PolarHBondContact OG-N 3.48Å; S19-T22 VanDerWaalsContact OG-N 3.1Å; S19-T22 PolarHBondContact OG-OG1 3.05Å; S19-T22 VanDerWaalsContact OG-OG1 3.09Å; E20-T22 VanDerWaalsContact C-N 3.33Å; T22-K24 VanDerWaalsContact C-N 3.25Å; T22-K24 PolarHBondContact O-N 3.43Å; T22-N25 PolarHBondContact O-N 3.34Å; T22-I27 VanDerWaalsContact CA-O 3.26Å; T22-I27 WeakPolarHBondContact CA-O 3.47Å; T22-I27 WeakPolarHBondContact CB-O 3.29Å; T22-I27 PolarHBondContact OG1-O 3.48Å
23S95.8Very high95.9Very high90 Ų9067.1 Ų67.163%0.62933%0.334SS*.Hα-helixtrans-66.1-28.9175.6710000112.9S19 E20 N25S19-S23 PolarHBondContact O-N 3.14Å; E20-S23 WeakPolarHBondContact CA-OG 3.43Å; E20-S23 PolarHBondContact O-N 3.42Å; E20-S23 PolarHBondContact O-OG 2.99Å; S23-N25 VanDerWaalsContact C-N 3.26Å; S23-N25 PolarHBondContact O-N 3.21Å
24K96.7Very high95.4Very high122 Ų12274.6 Ų74.653%0.5337%0.369SS..THydrogen-bonded Turntrans-85.110.6171.5-67.2166.4-178.8159.50113.5E20 E21 T22 Q26E20-K24 WeakPolarHBondContact O-CB 3.29Å; E20-K24 VanDerWaalsContact O-CG 3.29Å; E20-K24 WeakPolarHBondContact O-CG 3.3Å; E20-K24 PolarHBondContact O-N 3.18Å; E20-K24 IonicContact OE2-NZ 2.73Å; E20-K24 PolarHBondContact OE2-NZ 3.32Å; E21-K24 CarbonylContact O-C 3.49Å; E21-K24 PolarHBondContact O-N 2.82Å; T22-K24 VanDerWaalsContact C-N 3.25Å; T22-K24 PolarHBondContact O-N 3.43Å; K24-Q26 HydrophobicContact CB-CG 4.03Å; K24-Q26 PolarHBondContact O-N 2.64Å; K24-Q26 VanDerWaalsContact O-N 3.14Å; K24-Q26 PolarHBondContact O-NE2 2.95Å
25N96.4Very high95Very high108 Ų10872.8 Ų72.858%0.57837%0.366SS*.THydrogen-bonded Turntrans56.223.2-179.3-59.8-51.5000115.4E21 T22 S23 R55E21-N25 PolarHBondContact O-N 3.04Å; T22-N25 PolarHBondContact O-N 3.34Å; S23-N25 VanDerWaalsContact C-N 3.26Å; S23-N25 PolarHBondContact O-N 3.21Å; N25-R55 PolarHBondContact O-NH1 3.37Å; N25-R55 PolarHBondContact O-NH2 3.39Å; N25-R55 VanDerWaalsContact O-NH2 3.15Å
26Q98.1Very high94.7Very high62 Ų6270.9 Ų70.929%0.2936%0.357SS..SBendtrans-81.1-41.1-178.6-62.9-57.2-52.700112.6E21 K24 I43 A44E21-Q26 HydrophobicContact CB-CB 4.13Å; E21-Q26 WeakPolarHBondContact O-CB 3.11Å; E21-Q26 PolarHBondContact O-N 3.05Å; K24-Q26 HydrophobicContact CB-CG 4.03Å; K24-Q26 PolarHBondContact O-N 2.64Å; K24-Q26 VanDerWaalsContact O-N 3.14Å; K24-Q26 PolarHBondContact O-NE2 2.95Å; Q26-I43 CarbonylContact O-C 3.57Å; Q26-I43 WeakPolarHBondContact O-CA 3.39Å; Q26-A44 PolarHBondContact O-N 2.93Å
27I98.1Very high94.5Very high1 Ų173.1 Ų73.11%0.00537%0.37CS..EExtended strand (participates in β ladder)trans-137.7151.7179.370.2178.5000110.8V16 E21 T22 E42 I43 R107 L110 L111V16-I27 HydrophobicContact CG1-CD1 4.37Å; V16-I27 HydrophobicContact CG1-CG1 4.37Å; E21-I27 HydrophobicContact CB-CD1 3.88Å; E21-I27 HydrophobicContact CB-CG1 3.74Å; T22-I27 VanDerWaalsContact CA-O 3.26Å; T22-I27 WeakPolarHBondContact CA-O 3.47Å; T22-I27 WeakPolarHBondContact CB-O 3.29Å; T22-I27 PolarHBondContact OG1-O 3.48Å; I27-E42 CarbonylContact C-O 3.55Å; I27-E42 VanDerWaalsContact CA-O 3.3Å; I27-E42 WeakPolarHBondContact CA-O 3.4Å; I27-I43 HydrophobicContact CG2-CG2 4.1Å; I27-R107 HydrophobicContact CD1-CG 4.02Å; I27-L110 HydrophobicContact CB-CB 4.16Å; I27-L110 HydrophobicContact CB-CD1 4.16Å; I27-L110 HydrophobicContact CD1-CB 4.27Å; I27-L110 HydrophobicContact CD1-CD1 4.34Å; I27-L110 HydrophobicContact CG2-CB 3.99Å; I27-L111 HydrophobicContact CD1-CD2 4.18Å; I27-L111 HydrophobicContact CD1-CG 4.25Å; I27-L111 HydrophobicContact CG2-CD2 3.91Å
28K97.2Very high94.5Very high79 Ų7971.7 Ų71.734%0.34336%0.361SS..EExtended strand (participates in β ladder)trans-148.5153.7173.7-172.9-177.7-179.4-137.70110.1D30 G41 E42K28-D30 WeakPolarHBondContact CE-OD1 3.44Å; K28-D30 WeakPolarHBondContact CE-OD2 3.46Å; K28-D30 IonicContact NZ-OD1 2.71Å; K28-D30 PolarHBondContact NZ-OD1 2.94Å; K28-D30 IonicContact NZ-OD2 2.72Å; K28-D30 PolarHBondContact NZ-OD2 3.07Å; K28-G41 CarbonylContact O-C 3.27Å; K28-G41 WeakPolarHBondContact O-CA 3.29Å; K28-E42 HydrophobicContact CB-CB 4.28Å; K28-E42 PolarHBondContact N-O 3.32Å; K28-E42 PolarHBondContact O-N 2.65Å
29V97.5Very high94.6Very high0 Ų063 Ų630%032%0.323CS..EExtended strand (participates in β ladder)trans-134.9136166.966.80000109.6F13 V16 L39 R40F13-V29 HydrophobicContact CD2-CB 4.47Å; F13-V29 HydrophobicContact CD2-CG1 3.55Å; F13-V29 HydrophobicContact CD2-CG2 4.19Å; F13-V29 HydrophobicContact CE2-CB 4.45Å; F13-V29 HydrophobicContact CE2-CG1 3.73Å; F13-V29 HydrophobicContact CE2-CG2 4.27Å; F13-V29 WeakPolarHBondContact CE2-O 3.48Å; F13-V29 HydrophobicContact CG-CG1 4.37Å; V16-V29 HydrophobicContact CB-CG1 3.7Å; V16-V29 HydrophobicContact CG1-CB 4.27Å; V16-V29 HydrophobicContact CG1-CG1 3.64Å; V16-V29 HydrophobicContact CG2-CG1 4.14Å; V29-L39 HydrophobicContact CG2-CB 3.93Å; V29-L39 HydrophobicContact CG2-CD1 4.1Å; V29-L39 HydrophobicContact CG2-CG 4.48Å; V29-R40 CarbonylContact C-O 3.56Å; V29-R40 WeakPolarHBondContact CA-O 3.31Å
30D95.9Very high94.7Very high60 Ų6067.5 Ų67.532%0.32134%0.338SS..EExtended strand (participates in β ladder)trans-120.8147.1176.1-66.2-51.1000109.7K28 L39 R40K28-D30 WeakPolarHBondContact CE-OD1 3.44Å; K28-D30 WeakPolarHBondContact CE-OD2 3.46Å; K28-D30 IonicContact NZ-OD1 2.71Å; K28-D30 PolarHBondContact NZ-OD1 2.94Å; K28-D30 IonicContact NZ-OD2 2.72Å; K28-D30 PolarHBondContact NZ-OD2 3.07Å; D30-L39 WeakPolarHBondContact O-CA 3.49Å; D30-R40 HydrophobicContact CB-CB 4.49Å; D30-R40 PolarHBondContact N-O 2.91Å; D30-R40 PolarHBondContact O-N 2.98Å
31L93.7Very high94.7Very high74 Ų7461.5 Ų61.539%0.38731%0.31SS..EExtended strand (participates in β ladder)trans-78.1129.3172.3-72.8161.3000109.3F13 F36 L39F13-L31 HydrophobicContact CD2-CD2 4.42Å; F13-L31 HydrophobicContact CD2-CG 4.26Å; F13-L31 HydrophobicContact CE1-CD1 4.06Å; F13-L31 HydrophobicContact CE1-CG 4.34Å; F13-L31 HydrophobicContact CE2-CD1 4.31Å; F13-L31 HydrophobicContact CE2-CD2 4.31Å; F13-L31 HydrophobicContact CE2-CG 3.69Å; F13-L31 HydrophobicContact CZ-CD1 3.9Å; F13-L31 HydrophobicContact CZ-CG 3.75Å; L31-F36 HydrophobicContact CD1-CE1 3.96Å; L31-F36 HydrophobicContact CD1-CZ 4.49Å; L31-F36 HydrophobicContact CD2-CD1 3.33Å; L31-F36 HydrophobicContact CD2-CE1 3.48Å; L31-F36 VanDerWaalsContact CD2-CE1 3.48Å; L31-F36 HydrophobicContact CD2-CG 4.23Å; L31-F36 HydrophobicContact CD2-CZ 4.45Å; L31-F36 HydrophobicContact CG-CE1 4.37Å; L31-L39 HydrophobicContact CD2-CD2 3.43Å; L31-L39 VanDerWaalsContact CD2-CD2 3.43Å; L31-L39 HydrophobicContact CG-CD2 4.32Å
32V93.9Very high94.8Very high70 Ų7061.2 Ų61.242%0.42431%0.309SS..SBendtrans-93.3-36.2171179.20000110.1E38 R40V32-E38 HydrophobicContact CB-CB 4.19Å; V32-E38 HydrophobicContact CB-CG 4.03Å; V32-E38 WeakPolarHBondContact CB-O 3.45Å; V32-E38 HydrophobicContact CG1-CB 4.49Å; V32-E38 HydrophobicContact CG1-CG 4.17Å; V32-E38 HydrophobicContact CG2-CG 4.27Å; V32-E38 PolarHBondContact N-O 3.09Å; V32-E38 VanDerWaalsContact N-O 3.16Å; V32-R40 HydrophobicContact CG2-CB 3.84Å
33D85.6Confident95Very high35 Ų3560 Ų6019%0.18730%0.301CS..SBendtrans-124.3163.117860.833000112.6N35 F36 T37 E38D33-N35 VanDerWaalsContact C-N 3.33Å; D33-N35 PolarHBondContact OD1-OD1 3.36Å; D33-N35 PolarHBondContact OD2-OD1 3.48Å; D33-F36 VanDerWaalsContact OD1-CA 3.24Å; D33-F36 WeakPolarHBondContact OD1-CA 3.47Å; D33-F36 PolarHBondContact OD1-N 2.9Å; D33-T37 PolarHBondContact OD1-N 3.16Å; D33-T37 PolarHBondContact OD2-N 3.19Å; D33-T37 PolarHBondContact OD2-OG1 3.32Å; D33-E38 PolarHBondContact OD1-N 2.93Å; D33-E38 WeakPolarHBondContact OD2-CB 3.27Å; D33-E38 PolarHBondContact OD2-N 3.16Å
34E85.6Confident95.1Very high186 Ų18656.2 Ų56.287%0.86928%0.275SS*.THydrogen-bonded Turntrans-79.7-18.3175.8-62.8-171.6161.900112.8F36E34-F36 VanDerWaalsContact C-N 3.33Å; E34-F36 WeakPolarHBondContact O-CD2 3.39Å; E34-F36 WeakPolarHBondContact O-CE2 3.37Å
35N88.3Confident95.2Very high91 Ų9150.7 Ų50.749%0.48725%0.254SS..THydrogen-bonded Turntrans-88.8-0.5-175.672.36.7000112.7M1 D33 T37M1-N35 WeakPolarHBondContact CE-O 3.49Å; D33-N35 VanDerWaalsContact C-N 3.33Å; D33-N35 PolarHBondContact OD1-OD1 3.36Å; D33-N35 PolarHBondContact OD2-OD1 3.48Å; N35-T37 VanDerWaalsContact C-N 3.27Å; N35-T37 PolarHBondContact ND2-OG1 3.12Å; N35-T37 PolarHBondContact O-N 3.13Å; N35-T37 WeakPolarHBondContact OD1-CB 3.34Å; N35-T37 WeakPolarHBondContact OD1-CG2 3.48Å; N35-T37 PolarHBondContact OD1-N 3.14Å; N35-T37 PolarHBondContact OD1-OG1 2.69Å
36F89.8Confident95.3Very high30 Ų3046 Ų4613%0.13223%0.229CC..SBendtrans66.218179.2-58.9-90.7000114.4M1 V6 I9 K10 L31 D33 E34 I62M1-F36 HydrophobicContact CE-CB 3.59Å; M1-F36 WeakPolarHBondContact CE-O 3.4Å; V6-F36 HydrophobicContact CG1-CD2 4.33Å; I9-F36 HydrophobicContact CB-CB 4.39Å; I9-F36 HydrophobicContact CG2-CB 3.91Å; I9-F36 HydrophobicContact CG2-CD1 3.85Å; I9-F36 HydrophobicContact CG2-CG 4.28Å; K10-F36 HydrophobicContact CD-CE2 4.33Å; K10-F36 HydrophobicContact CD-CZ 4.21Å; K10-F36 VanDerWaalsContact CE-CZ 3.43Å; K10-F36 HydrophobicContact CG-CD1 4.35Å; K10-F36 HydrophobicContact CG-CE1 3.81Å; K10-F36 HydrophobicContact CG-CE2 4.1Å; K10-F36 HydrophobicContact CG-CZ 3.69Å; L31-F36 HydrophobicContact CD1-CE1 3.96Å; L31-F36 HydrophobicContact CD1-CZ 4.49Å; L31-F36 HydrophobicContact CD2-CD1 3.33Å; L31-F36 HydrophobicContact CD2-CE1 3.48Å; L31-F36 VanDerWaalsContact CD2-CE1 3.48Å; L31-F36 HydrophobicContact CD2-CG 4.23Å; L31-F36 HydrophobicContact CD2-CZ 4.45Å; L31-F36 HydrophobicContact CG-CE1 4.37Å; D33-F36 VanDerWaalsContact OD1-CA 3.24Å; D33-F36 WeakPolarHBondContact OD1-CA 3.47Å; D33-F36 PolarHBondContact OD1-N 2.9Å; E34-F36 VanDerWaalsContact C-N 3.33Å; E34-F36 WeakPolarHBondContact O-CD2 3.39Å; E34-F36 WeakPolarHBondContact O-CE2 3.37Å; F36-I62 WeakPolarHBondContact O-CG1 3.28Å
37T93.8Very high95.2Very high46 Ų4646.9 Ų46.928%0.28224%0.24SC..SBendtrans-85-25.1-179.261.30000113M1 D33 N35 K61 I62M1-T37 HydrophobicContact CE-CG2 3.74Å; M1-T37 HydrophobicContact CG-CG2 4.07Å; M1-T37 HydrophobicContact SD-CG2 4.41Å; D33-T37 PolarHBondContact OD1-N 3.16Å; D33-T37 PolarHBondContact OD2-N 3.19Å; D33-T37 PolarHBondContact OD2-OG1 3.32Å; N35-T37 VanDerWaalsContact C-N 3.27Å; N35-T37 PolarHBondContact ND2-OG1 3.12Å; N35-T37 PolarHBondContact O-N 3.13Å; N35-T37 WeakPolarHBondContact OD1-CB 3.34Å; N35-T37 WeakPolarHBondContact OD1-CG2 3.48Å; N35-T37 PolarHBondContact OD1-N 3.14Å; N35-T37 PolarHBondContact OD1-OG1 2.69Å; T37-K61 WeakPolarHBondContact O-CA 3.3Å; T37-I62 PolarHBondContact O-N 2.95Å
38E96.4Very high95.2Very high62 Ų6254.5 Ų54.529%0.2928%0.281SS..EExtended strand (participates in β ladder)trans-131.3128.6179.3-168168.7174.700110.7V32 D33 I60 K61V32-E38 HydrophobicContact CB-CB 4.19Å; V32-E38 HydrophobicContact CB-CG 4.03Å; V32-E38 WeakPolarHBondContact CB-O 3.45Å; V32-E38 HydrophobicContact CG1-CB 4.49Å; V32-E38 HydrophobicContact CG1-CG 4.17Å; V32-E38 HydrophobicContact CG2-CG 4.27Å; V32-E38 PolarHBondContact N-O 3.09Å; V32-E38 VanDerWaalsContact N-O 3.16Å; D33-E38 PolarHBondContact OD1-N 2.93Å; D33-E38 WeakPolarHBondContact OD2-CB 3.27Å; D33-E38 PolarHBondContact OD2-N 3.16Å; E38-I60 WeakPolarHBondContact CA-O 3.19Å; E38-K61 HydrophobicContact CG-CG 4.38Å
39L97.3Very high95.2Very high0 Ų051.5 Ų51.50%027%0.269CS..EExtended strand (participates in β ladder)trans-126.9154.8178.5-51172.3000108.9I9 V29 D30 L31 I60 I62 L106I9-L39 HydrophobicContact CG2-CD1 4.17Å; V29-L39 HydrophobicContact CG2-CB 3.93Å; V29-L39 HydrophobicContact CG2-CD1 4.1Å; V29-L39 HydrophobicContact CG2-CG 4.48Å; D30-L39 WeakPolarHBondContact O-CA 3.49Å; L31-L39 HydrophobicContact CD2-CD2 3.43Å; L31-L39 VanDerWaalsContact CD2-CD2 3.43Å; L31-L39 HydrophobicContact CG-CD2 4.32Å; L39-I60 HydrophobicContact CB-CB 4.09Å; L39-I60 HydrophobicContact CB-CG2 4.42Å; L39-I60 HydrophobicContact CD1-CG2 4.48Å; L39-I60 PolarHBondContact N-O 3.45Å; L39-I60 PolarHBondContact O-N 2.89Å; L39-I62 HydrophobicContact CD1-CD1 4.05Å; L39-I62 HydrophobicContact CD1-CG1 4.21Å; L39-I62 HydrophobicContact CG-CG1 4.48Å; L39-L106 HydrophobicContact CD1-CD1 3.57Å; L39-L106 HydrophobicContact CD1-CD2 4Å; L39-L106 HydrophobicContact CD1-CG 4.46Å
40R98.3Very high95.3Very high107 Ų10752.4 Ų52.440%0.40428%0.275SS..EExtended strand (participates in β ladder)trans-111.5115.9169.7-172.5167.4-66.8-172.12.7109.1V29 D30 V32 L58 I76V29-R40 CarbonylContact C-O 3.56Å; V29-R40 WeakPolarHBondContact CA-O 3.31Å; D30-R40 HydrophobicContact CB-CB 4.49Å; D30-R40 PolarHBondContact N-O 2.91Å; D30-R40 PolarHBondContact O-N 2.98Å; V32-R40 HydrophobicContact CG2-CB 3.84Å; R40-L58 CarbonylContact C-O 3.48Å; R40-L58 WeakPolarHBondContact CA-O 3.28Å; R40-I76 HydrophobicContact CG-CD1 4.46Å
41G98.4Very high95.4Very high0 Ų049.8 Ų49.80%026%0.261CS..EExtended strand (participates in β ladder)trans-88.8158.3172.100000111.2K28 Q57 L58K28-G41 CarbonylContact O-C 3.27Å; K28-G41 WeakPolarHBondContact O-CA 3.29Å; G41-Q57 CarbonylContact O-C 3.56Å; G41-Q57 WeakPolarHBondContact O-CA 3.43Å; G41-L58 PolarHBondContact N-O 2.73Å; G41-L58 PolarHBondContact O-N 3.22Å
42E98.8Very high95.6Very high37 Ų3751 Ų5117%0.17326%0.264CS..EExtended strand (participates in β ladder)trans-141.9136165.9-169.6179.784.700109.5I27 K28 R55 Y56I27-E42 CarbonylContact C-O 3.55Å; I27-E42 VanDerWaalsContact CA-O 3.3Å; I27-E42 WeakPolarHBondContact CA-O 3.4Å; K28-E42 HydrophobicContact CB-CB 4.28Å; K28-E42 PolarHBondContact N-O 3.32Å; K28-E42 PolarHBondContact O-N 2.65Å; E42-R55 HydrophobicContact CG-CB 4.37Å; E42-R55 IonicContact OE1-CZ 3Å; E42-R55 IonicContact OE1-NE 3.13Å; E42-R55 PolarHBondContact OE1-NE 2.88Å; E42-R55 IonicContact OE1-NH2 2.87Å; E42-R55 PolarHBondContact OE1-NH2 3.48Å; E42-Y56 VanDerWaalsContact CA-O 3.3Å; E42-Y56 WeakPolarHBondContact CA-O 3.47Å
43I98.8Very high95.8Very high0 Ų049.9 Ų49.90%027%0.268CS..EExtended strand (participates in β ladder)trans-125.8143.317464.1176.5000110.5Q26 I27 Y56 L58 F75 L110 L113 L117Q26-I43 CarbonylContact O-C 3.57Å; Q26-I43 WeakPolarHBondContact O-CA 3.39Å; I27-I43 HydrophobicContact CG2-CG2 4.1Å; I43-Y56 PolarHBondContact N-O 3.22Å; I43-Y56 PolarHBondContact O-N 3.48Å; I43-L58 HydrophobicContact CG2-CD1 4.03Å; I43-F75 HydrophobicContact CD1-CE1 4.34Å; I43-F75 HydrophobicContact CD1-CZ 4.11Å; I43-L110 HydrophobicContact CG2-CB 4.08Å; I43-L110 HydrophobicContact CG2-CD2 3.85Å; I43-L113 HydrophobicContact CD1-CB 4Å; I43-L117 HydrophobicContact CD1-CD1 4.03Å
44A98.7Very high96.5Very high10 Ų1048.3 Ų48.38%0.08326%0.259CS..EExtended strand (participates in β ladder)trans-79.8140.3169.400000109.9Q26 Q114Q26-A44 PolarHBondContact O-N 2.93Å; A44-Q114 PolarHBondContact O-NE2 3.4Å
45G98.6Very high97.1Very high7 Ų743.5 Ų43.57%0.07223%0.233CC..PPolyproline II helixtrans-59.9131.7170.200000110.8Y51 G54G45-Y51 WeakPolarHBondContact CA-O 3.25Å; G45-G54 PolarHBondContact N-O 3.17Å
46P98.4Very high97.6Very high9 Ų939.2 Ų39.26%0.05821%0.21CC..PPolyproline II helixtrans-61.8149.8-178.8-16.125.9000112.1T49 Q114 L117 A118P46-T49 HydrophobicContact CB-CG2 3.85Å; P46-T49 HydrophobicContact CG-CG2 4.29Å; P46-T49 PolarHBondContact O-OG1 2.96Å; P46-Q114 HydrophobicContact CG-CG 3.78Å; P46-Q114 WeakPolarHBondContact CG-O 3.36Å; P46-L117 HydrophobicContact CG-CB 3.93Å; P46-A118 HydrophobicContact CB-CB 4.15Å; P46-A118 HydrophobicContact CG-CB 4.09Å
47P97.3Very high98Very high81 Ų8140.8 Ų40.853%0.52622%0.218SC..THydrogen-bonded Turntrans-62.9155.5174.529.9-35.9000111.3T49P47-T49 PolarHBondContact O-N 2.91Å; P47-T49 VanDerWaalsContact O-N 3.13Å
48D96.7Very high98.3Very high160 Ų16038.6 Ų38.686%0.85621%0.205SC*.THydrogen-bonded Turntrans6217.7178.6-57-56.2000114.3E52D48-E52 PolarHBondContact N-OE2 2.86Å
49T98.3Very high98.4Very high16 Ų1637.4 Ų37.410%0.09820%0.199CC..SBendtrans-114.6165.8174.875.10000111P46 P47 Y51 E52 A118P46-T49 HydrophobicContact CB-CG2 3.85Å; P46-T49 HydrophobicContact CG-CG2 4.29Å; P46-T49 PolarHBondContact O-OG1 2.96Å; P47-T49 PolarHBondContact O-N 2.91Å; P47-T49 VanDerWaalsContact O-N 3.13Å; T49-Y51 PolarHBondContact O-N 2.95Å; T49-Y51 VanDerWaalsContact O-N 3.12Å; T49-Y51 WeakPolarHBondContact OG1-CB 3.31Å; T49-Y51 PolarHBondContact OG1-N 3.44Å; T49-E52 WeakPolarHBondContact O-CB 3.28Å; T49-E52 PolarHBondContact O-N 2.99Å; T49-A118 HydrophobicContact CG2-CB 4.05Å
50P98.5Very high98.4Very high20 Ų2037.5 Ų37.513%0.1320%0.2CC..THydrogen-bonded Turntrans-60.4-17.6170.6-1930.9000113.8F141 K142 A145 R146P50-F141 HydrophobicContact CG-CE1 4.49Å; P50-K142 HydrophobicContact CG-CG 4.17Å; P50-A145 HydrophobicContact CB-CB 3.58Å; P50-A145 HydrophobicContact CG-CB 4.11Å; P50-R146 HydrophobicContact CB-CB 4.31Å; P50-R146 WeakPolarHBondContact O-CA 3.13Å
51Y98.8Very high98.4Very high4 Ų436.5 Ų36.52%0.01620%0.198CC..THydrogen-bonded Turntrans-90.6-9.9-174.1-47.7-64.9000112.9G45 T49 G53 G54 Y56 I79 W80 H81 L117 F141 A145G45-Y51 WeakPolarHBondContact CA-O 3.25Å; T49-Y51 PolarHBondContact O-N 2.95Å; T49-Y51 VanDerWaalsContact O-N 3.12Å; T49-Y51 WeakPolarHBondContact OG1-CB 3.31Å; T49-Y51 PolarHBondContact OG1-N 3.44Å; Y51-G53 PolarHBondContact O-N 3.27Å; Y51-G54 WeakPolarHBondContact O-CA 3.35Å; Y51-G54 PolarHBondContact O-N 2.8Å; Y51-Y56 WeakPolarHBondContact CB-OH 3.48Å; Y51-Y56 WeakPolarHBondContact CD1-OH 3.31Å; Y51-I79 HydrophobicContact CD1-CD1 3.98Å; Y51-I79 HydrophobicContact CD1-CG1 4.15Å; Y51-I79 HydrophobicContact CE1-CD1 3.93Å; Y51-I79 HydrophobicContact CE1-CG1 3.84Å; Y51-W80 WeakPolarHBondContact CE1-O 3.48Å; Y51-W80 PolarHBondContact OH-O 3.46Å; Y51-H81 AromaticContact CE2-CD2 3.93Å; Y51-H81 AromaticContact CZ-CD2 3.73Å; Y51-H81 PolarHBondContact OH-CD2 3.45Å; Y51-L117 HydrophobicContact CD2-CB 3.85Å; Y51-L117 WeakPolarHBondContact CD2-O 3.26Å; Y51-L117 HydrophobicContact CE2-CB 4.23Å; Y51-L117 WeakPolarHBondContact CE2-O 3.49Å; Y51-L117 HydrophobicContact CG-CB 4.49Å; Y51-L117 HydrophobicContact CG-CD1 4.49Å; Y51-F141 WeakPolarHBondContact OH-CZ 3.26Å; Y51-A145 HydrophobicContact CE1-CB 3.93Å
52E98.4Very high98.3Very high99 Ų9937 Ų3746%0.46320%0.201SC..THydrogen-bonded Turntrans-51.9134.6-176.6-175.6175.3176.300112.4D48 T49 G54D48-E52 PolarHBondContact N-OE2 2.86Å; T49-E52 WeakPolarHBondContact O-CB 3.28Å; T49-E52 PolarHBondContact O-N 2.99Å; E52-G54 PolarHBondContact O-N 2.86Å
53G98Very high98.2Very high48 Ų4836.7 Ų36.750%0.49520%0.202SC..THydrogen-bonded Turntrans79-11.6-176.300000114.5Y51Y51-G53 PolarHBondContact O-N 3.27Å
54G98.6Very high98Very high1 Ų143.9 Ų43.91%0.0124%0.235CC..  trans-78.2151172.500000113G45 Y51 E52 A153G45-G54 PolarHBondContact N-O 3.17Å; Y51-G54 WeakPolarHBondContact O-CA 3.35Å; Y51-G54 PolarHBondContact O-N 2.8Å; E52-G54 PolarHBondContact O-N 2.86Å; G54-A153 CarbonylContact C-O 3.55Å; G54-A153 WeakPolarHBondContact CA-O 3.39Å
55R98.7Very high97.9Very high86 Ų8646.8 Ų46.833%0.32525%0.252SS..EExtended strand (participates in β ladder)trans-119.7128.7169.9-56.9-168.274.378.94.7110.8N25 E42 A153N25-R55 PolarHBondContact O-NH1 3.37Å; N25-R55 PolarHBondContact O-NH2 3.39Å; N25-R55 VanDerWaalsContact O-NH2 3.15Å; E42-R55 HydrophobicContact CG-CB 4.37Å; E42-R55 IonicContact OE1-CZ 3Å; E42-R55 IonicContact OE1-NE 3.13Å; E42-R55 PolarHBondContact OE1-NE 2.88Å; E42-R55 IonicContact OE1-NH2 2.87Å; E42-R55 PolarHBondContact OE1-NH2 3.48Å; R55-A153 PolarHBondContact N-O 2.75Å
56Y98.9Very high97.8Very high0 Ų046.5 Ų46.50%025%0.249CC..EExtended strand (participates in β ladder)trans-116.4114.1-171.4-60.4-87000110.8E42 I43 Y51 F75 T77 I79 L117 A149 A153E42-Y56 VanDerWaalsContact CA-O 3.3Å; E42-Y56 WeakPolarHBondContact CA-O 3.47Å; I43-Y56 PolarHBondContact N-O 3.22Å; I43-Y56 PolarHBondContact O-N 3.48Å; Y51-Y56 WeakPolarHBondContact CB-OH 3.48Å; Y51-Y56 WeakPolarHBondContact CD1-OH 3.31Å; Y56-F75 HydrophobicContact CD1-CD1 4.33Å; Y56-F75 HydrophobicContact CD1-CE1 4.25Å; Y56-F75 HydrophobicContact CG-CE1 4.13Å; Y56-T77 HydrophobicContact CD1-CG2 3.73Å; Y56-T77 HydrophobicContact CE1-CG2 4.24Å; Y56-I79 HydrophobicContact CD1-CB 4.29Å; Y56-I79 HydrophobicContact CD1-CD1 3.88Å; Y56-I79 HydrophobicContact CD1-CG1 4.32Å; Y56-I79 HydrophobicContact CE1-CB 4.06Å; Y56-I79 HydrophobicContact CE1-CD1 3.6Å; Y56-I79 HydrophobicContact CE1-CG1 3.78Å; Y56-L117 HydrophobicContact CD2-CD1 4.18Å; Y56-L117 HydrophobicContact CE2-CD1 4.29Å; Y56-A149 VanDerWaalsContact OH-CB 3.27Å; Y56-A149 WeakPolarHBondContact OH-CB 3.43Å; Y56-A153 HydrophobicContact CD1-CB 4.07Å; Y56-A153 HydrophobicContact CE1-CB 3.56Å; Y56-A153 HydrophobicContact CE2-CB 4.19Å
57Q98.8Very high97.7Very high64 Ų6446.2 Ų46.230%0.29925%0.247SC..EExtended strand (participates in β ladder)trans-80.5141.2175.5-65.4-171.2-2.500110.9G41 I76 T77G41-Q57 CarbonylContact O-C 3.56Å; G41-Q57 WeakPolarHBondContact O-CA 3.43Å; Q57-I76 HydrophobicContact CB-CB 4.09Å; Q57-I76 HydrophobicContact CB-CD1 4.42Å; Q57-I76 PolarHBondContact O-N 3.43Å; Q57-T77 PolarHBondContact N-OG1 2.68Å; Q57-T77 PolarHBondContact O-N 3.37Å
58L98.8Very high97.7Very high0 Ų048.8 Ų48.80%025%0.25CS..EExtended strand (participates in β ladder)trans-124.4134.3-176.7-55.2172.2000109.6R40 G41 I43 I60 V73 R74 F75 L110 L113R40-L58 CarbonylContact C-O 3.48Å; R40-L58 WeakPolarHBondContact CA-O 3.28Å; G41-L58 PolarHBondContact N-O 2.73Å; G41-L58 PolarHBondContact O-N 3.22Å; I43-L58 HydrophobicContact CG2-CD1 4.03Å; L58-I60 HydrophobicContact CB-CG1 4.3Å; L58-V73 HydrophobicContact CB-CG1 4.21Å; L58-V73 HydrophobicContact CD1-CG1 4.46Å; L58-R74 CarbonylContact C-O 3.25Å; L58-R74 WeakPolarHBondContact CA-O 3.49Å; L58-F75 HydrophobicContact CD2-CB 4.45Å; L58-F75 HydrophobicContact CD2-CD1 3.68Å; L58-F75 HydrophobicContact CD2-CD2 3.69Å; L58-F75 HydrophobicContact CD2-CE1 3.71Å; L58-F75 HydrophobicContact CD2-CE2 3.7Å; L58-F75 HydrophobicContact CD2-CG 3.67Å; L58-F75 HydrophobicContact CD2-CZ 3.71Å; L58-L110 HydrophobicContact CD1-CD2 3.56Å; L58-L113 HydrophobicContact CD1-CD1 3.73Å
59E98.5Very high97.7Very high37 Ų3745 Ų4517%0.17323%0.23CC..EExtended strand (participates in β ladder)trans-85.8127.1163.7-178.4-175.3-6400107.7K61 V73 R74 I76E59-K61 HydrophobicContact CG-CG 4.43Å; E59-K61 IonicContact OE1-NZ 3.37Å; E59-K61 VanDerWaalsContact OE2-CE 3.23Å; E59-K61 WeakPolarHBondContact OE2-CE 3.28Å; E59-K61 IonicContact OE2-NZ 3.93Å; E59-K61 PolarHBondContact OE2-NZ 2.95Å; E59-V73 CarbonylContact O-C 3.58Å; E59-V73 VanDerWaalsContact O-CA 3.29Å; E59-V73 WeakPolarHBondContact O-CA 3.14Å; E59-R74 HydrophobicContact CB-CB 4.41Å; E59-R74 PolarHBondContact N-O 2.64Å; E59-R74 PolarHBondContact O-N 3.38Å; E59-R74 IonicContact OE1-CZ 2.69Å; E59-R74 IonicContact OE1-NE 3.59Å; E59-R74 IonicContact OE1-NH2 2.85Å; E59-R74 PolarHBondContact OE1-NH2 3.35Å; E59-R74 IonicContact OE2-NE 3.8Å; E59-I76 HydrophobicContact CB-CD1 3.98Å; E59-I76 HydrophobicContact CB-CG1 3.89Å
60I98.4Very high97.6Very high2 Ų245.2 Ų45.21%0.0123%0.232CC..EExtended strand (participates in β ladder)trans-126.9111.8-178.9-57.5172.9000107.9E38 L39 L58 I62 P71 K72 V73 L106 L110E38-I60 WeakPolarHBondContact CA-O 3.19Å; L39-I60 HydrophobicContact CB-CB 4.09Å; L39-I60 HydrophobicContact CB-CG2 4.42Å; L39-I60 HydrophobicContact CD1-CG2 4.48Å; L39-I60 PolarHBondContact N-O 3.45Å; L39-I60 PolarHBondContact O-N 2.89Å; L58-I60 HydrophobicContact CB-CG1 4.3Å; I60-I62 HydrophobicContact CG2-CD1 3.88Å; I60-P71 HydrophobicContact CG2-CB 3.91Å; I60-K72 WeakPolarHBondContact CA-O 3.37Å; I60-V73 HydrophobicContact CG1-CG1 4.14Å; I60-V73 HydrophobicContact CG1-CG2 4.35Å; I60-V73 HydrophobicContact CG2-CG2 4.46Å; I60-L106 HydrophobicContact CG2-CD2 4.22Å; I60-L110 HydrophobicContact CD1-CD2 4.26Å
61K97.5Very high97.6Very high85 Ų8544.4 Ų44.437%0.3723%0.226SC..EExtended strand (participates in β ladder)trans-106.7123176.5-68.4177.2173.1149.70110.6T37 E38 E59 P71 K72T37-K61 WeakPolarHBondContact O-CA 3.3Å; E38-K61 HydrophobicContact CG-CG 4.38Å; E59-K61 HydrophobicContact CG-CG 4.43Å; E59-K61 IonicContact OE1-NZ 3.37Å; E59-K61 VanDerWaalsContact OE2-CE 3.23Å; E59-K61 WeakPolarHBondContact OE2-CE 3.28Å; E59-K61 IonicContact OE2-NZ 3.93Å; E59-K61 PolarHBondContact OE2-NZ 2.95Å; K61-P71 WeakPolarHBondContact O-CA 3.33Å; K61-K72 HydrophobicContact CB-CB 4.27Å; K61-K72 PolarHBondContact N-O 2.98Å; K61-K72 PolarHBondContact O-N 2.89Å
62I96.9Very high97.6Very high12 Ų1251.7 Ų51.76%0.06226%0.258CS..  trans-87.1121-178.2-52.7-52000109.1M1 I9 F36 T37 L39 I60 Y66 P71 L106M1-I62 HydrophobicContact SD-CB 4.41Å; M1-I62 HydrophobicContact SD-CG2 3.81Å; I9-I62 HydrophobicContact CD1-CB 4.49Å; I9-I62 HydrophobicContact CD1-CD1 3.66Å; I9-I62 HydrophobicContact CD1-CG1 3.83Å; I9-I62 HydrophobicContact CD1-CG2 3.84Å; I9-I62 HydrophobicContact CG1-CG1 4.22Å; I9-I62 HydrophobicContact CG1-CG2 3.89Å; F36-I62 WeakPolarHBondContact O-CG1 3.28Å; T37-I62 PolarHBondContact O-N 2.95Å; L39-I62 HydrophobicContact CD1-CD1 4.05Å; L39-I62 HydrophobicContact CD1-CG1 4.21Å; L39-I62 HydrophobicContact CG-CG1 4.48Å; I60-I62 HydrophobicContact CG2-CD1 3.88Å; I62-Y66 HydrophobicContact CG2-CD1 4.28Å; I62-Y66 HydrophobicContact CG2-CD2 4.28Å; I62-Y66 HydrophobicContact CG2-CG 3.79Å; I62-P71 HydrophobicContact CD1-CB 3.96Å; I62-L106 HydrophobicContact CD1-CD2 4.21Å
63P96.3Very high97.6Very high29 Ų2947.7 Ų47.719%0.18824%0.24CC..  trans-71.1155.6176.531.7-36.8000111T65 Y66 N69 P70P63-T65 PolarHBondContact O-N 2.83Å; P63-T65 VanDerWaalsContact O-N 3.13Å; P63-Y66 HydrophobicContact CG-CD2 4.49Å; P63-Y66 WeakPolarHBondContact O-CB 3.32Å; P63-Y66 PolarHBondContact O-N 3.13Å; P63-N69 HydrophobicContact CG-CB 4.19Å; P63-P70 WeakPolarHBondContact CG-O 3.26Å
64E94.8Very high97.6Very high152 Ų15249.4 Ų49.471%0.7123%0.232SC*.THydrogen-bonded Turntrans-60.8-24.6175-60.8-164.1146.800113.2Y66E64-Y66 VanDerWaalsContact C-N 3.32Å
65T95.9Very high97.6Very high70 Ų7049.5 Ų49.543%0.42923%0.232SC..THydrogen-bonded Turntrans-86.75.9179.253.50000113.7P63 F68 N69P63-T65 PolarHBondContact O-N 2.83Å; P63-T65 VanDerWaalsContact O-N 3.13Å; T65-F68 WeakPolarHBondContact O-CA 3.27Å; T65-F68 WeakPolarHBondContact O-CB 3.47Å; T65-F68 WeakPolarHBondContact O-CD2 3.41Å; T65-F68 PolarHBondContact O-N 2.81Å; T65-N69 WeakPolarHBondContact CB-OD1 3.27Å; T65-N69 WeakPolarHBondContact OG1-CB 3.29Å; T65-N69 PolarHBondContact OG1-OD1 3.06Å
66Y97.1Very high97.6Very high1 Ų148.2 Ų48.20%0.00423%0.231CC..THydrogen-bonded Turntrans-59.7134.2176-163.3-98.3000111.1A5 R8 I9 E12 I62 P63 E64 N69 W100A5-Y66 WeakPolarHBondContact CB-O 3.35Å; R8-Y66 HydrophobicContact CB-CD1 4.12Å; R8-Y66 HydrophobicContact CB-CE1 3.97Å; I9-Y66 HydrophobicContact CD1-CD1 3.6Å; I9-Y66 HydrophobicContact CD1-CE1 3.45Å; I9-Y66 VanDerWaalsContact CD1-CE1 3.45Å; I9-Y66 HydrophobicContact CD1-CG 4.29Å; I9-Y66 HydrophobicContact CG1-CD1 4.01Å; I9-Y66 HydrophobicContact CG1-CE1 4.23Å; E12-Y66 PolarHBondContact OE1-OH 3.26Å; E12-Y66 PolarHBondContact OE2-OH 2.99Å; I62-Y66 HydrophobicContact CG2-CD1 4.28Å; I62-Y66 HydrophobicContact CG2-CD2 4.28Å; I62-Y66 HydrophobicContact CG2-CG 3.79Å; P63-Y66 HydrophobicContact CG-CD2 4.49Å; P63-Y66 WeakPolarHBondContact O-CB 3.32Å; P63-Y66 PolarHBondContact O-N 3.13Å; E64-Y66 VanDerWaalsContact C-N 3.32Å; Y66-N69 WeakPolarHBondContact CD2-O 3.36Å; Y66-W100 HydrophobicContact CD2-CZ2 4.37Å; Y66-W100 AromaticContact CE2-CH2 3.81Å; Y66-W100 HydrophobicContact CE2-CH2 3.81Å; Y66-W100 AromaticContact CE2-CZ2 3.51Å; Y66-W100 HydrophobicContact CE2-CZ2 3.51Å
67P96.6Very high97.6Very high4 Ų449.1 Ų49.13%0.02624%0.237CC..THydrogen-bonded Turncis-9613.212.139.7-37.6000115R8 W100 A102R8-P67 HydrophobicContact CG-CB 4.43Å; R8-P67 HydrophobicContact CG-CG 4.11Å; P67-W100 PolarHBondContact O-NE1 3.41Å; P67-A102 HydrophobicContact CB-CB 4.48Å; P67-A102 HydrophobicContact CG-CB 4.45Å; P67-A102 WeakPolarHBondContact O-CA 3.49Å; P67-A102 WeakPolarHBondContact O-CB 3.26Å
68F96.5Very high97.6Very high134 Ų13449.6 Ų49.659%0.58824%0.238SC*.SBendtrans-79.8-20.3-175.5-53.7-70.2000113.3I4 T65I4-F68 HydrophobicContact CD1-CE2 4.26Å; I4-F68 HydrophobicContact CD1-CZ 4.15Å; T65-F68 WeakPolarHBondContact O-CA 3.27Å; T65-F68 WeakPolarHBondContact O-CB 3.47Å; T65-F68 WeakPolarHBondContact O-CD2 3.41Å; T65-F68 PolarHBondContact O-N 2.81Å
69N97.1Very high97.6Very high81 Ų8149.8 Ų49.843%0.43324%0.238SC..SBendtrans-121.1150.8168.9-66.2107.1000110.8P63 T65 Y66P63-N69 HydrophobicContact CG-CB 4.19Å; T65-N69 WeakPolarHBondContact CB-OD1 3.27Å; T65-N69 WeakPolarHBondContact OG1-CB 3.29Å; T65-N69 PolarHBondContact OG1-OD1 3.06Å; Y66-N69 WeakPolarHBondContact CD2-O 3.36Å
70P97.9Very high97.6Very high21 Ų2148.1 Ų48.114%0.13623%0.231CC..  trans-66.6155.6-178.726.5-33.5000112.1P63 L96 W100P63-P70 WeakPolarHBondContact CG-O 3.26Å; P70-L96 WeakPolarHBondContact CG-O 3.35Å; P70-W100 HydrophobicContact CB-CB 4.02Å; P70-W100 HydrophobicContact CB-CD2 3.57Å; P70-W100 HydrophobicContact CB-CE3 3.64Å; P70-W100 HydrophobicContact CB-CG 3.74Å; P70-W100 HydrophobicContact CB-CZ3 4.33Å; P70-W100 HydrophobicContact CG-CB 4.03Å; P70-W100 HydrophobicContact CG-CD2 4.42Å; P70-W100 HydrophobicContact CG-CG 4.07Å
71P97.9Very high97.6Very high2 Ų248 Ų481%0.01323%0.23CC..  trans-63.4146.116630.9-33.7000110I60 K61 I62 V73 V109I60-P71 HydrophobicContact CG2-CB 3.91Å; K61-P71 WeakPolarHBondContact O-CA 3.33Å; I62-P71 HydrophobicContact CD1-CB 3.96Å; P71-V73 HydrophobicContact CB-CG2 4.23Å; P71-V73 HydrophobicContact CG-CG2 4.03Å; P71-V73 PolarHBondContact O-N 3.38Å; P71-V109 HydrophobicContact CG-CG2 4.41Å
72K98.1Very high97.7Very high157 Ų15744 Ų4468%0.68321%0.212SC*.EExtended strand (participates in β ladder)trans-80.8115.7168.1-63.7-176.5-179.5-178.60107.9I60 K61I60-K72 WeakPolarHBondContact CA-O 3.37Å; K61-K72 HydrophobicContact CB-CB 4.27Å; K61-K72 PolarHBondContact N-O 2.98Å; K61-K72 PolarHBondContact O-N 2.89Å
73V98.6Very high97.8Very high15 Ų1543.6 Ų43.69%0.09121%0.211CC..EExtended strand (participates in β ladder)trans-115138.7-178.5-1690000110.4L58 E59 I60 P71 I91 L96 V109 L113L58-V73 HydrophobicContact CB-CG1 4.21Å; L58-V73 HydrophobicContact CD1-CG1 4.46Å; E59-V73 CarbonylContact O-C 3.58Å; E59-V73 VanDerWaalsContact O-CA 3.29Å; E59-V73 WeakPolarHBondContact O-CA 3.14Å; I60-V73 HydrophobicContact CG1-CG1 4.14Å; I60-V73 HydrophobicContact CG1-CG2 4.35Å; I60-V73 HydrophobicContact CG2-CG2 4.46Å; P71-V73 HydrophobicContact CB-CG2 4.23Å; P71-V73 HydrophobicContact CG-CG2 4.03Å; P71-V73 PolarHBondContact O-N 3.38Å; V73-I91 HydrophobicContact CB-CD1 4.03Å; V73-I91 HydrophobicContact CG1-CD1 3.82Å; V73-L96 HydrophobicContact CB-CD1 4.06Å; V73-L96 HydrophobicContact CG2-CD1 4.37Å; V73-L96 HydrophobicContact CG2-CD2 4Å; V73-V109 HydrophobicContact CG2-CG1 4.16Å; V73-L113 HydrophobicContact CG1-CD1 3.86Å
74R98.6Very high97.9Very high84 Ų8442.2 Ų42.232%0.31720%0.202SC..EExtended strand (participates in β ladder)trans-142.9140.2177.7-172.9-175.166.475.61110.1L58 E59 I76 T88 G89L58-R74 CarbonylContact C-O 3.25Å; L58-R74 WeakPolarHBondContact CA-O 3.49Å; E59-R74 HydrophobicContact CB-CB 4.41Å; E59-R74 PolarHBondContact N-O 2.64Å; E59-R74 PolarHBondContact O-N 3.38Å; E59-R74 IonicContact OE1-CZ 2.69Å; E59-R74 IonicContact OE1-NE 3.59Å; E59-R74 IonicContact OE1-NH2 2.85Å; E59-R74 PolarHBondContact OE1-NH2 3.35Å; E59-R74 IonicContact OE2-NE 3.8Å; R74-I76 PolarHBondContact O-N 2.94Å; R74-T88 VanDerWaalsContact CD-O 3.23Å; R74-T88 WeakPolarHBondContact CD-O 3.35Å; R74-T88 VanDerWaalsContact CG-O 3.29Å; R74-T88 WeakPolarHBondContact CG-O 3.44Å; R74-T88 PolarHBondContact NH1-O 3.09Å; R74-G89 WeakPolarHBondContact CA-O 3.03Å; R74-G89 WeakPolarHBondContact CG-O 3.3Å
75F98.8Very high98.1Very high3 Ų335.8 Ų35.81%0.01317%0.173CC..EExtended strand (participates in β ladder)trans-70.3122.9170.4-81.8-104.6000110.5I43 Y56 L58 I79 I84 G89 I91 L113 L117I43-F75 HydrophobicContact CD1-CE1 4.34Å; I43-F75 HydrophobicContact CD1-CZ 4.11Å; Y56-F75 HydrophobicContact CD1-CD1 4.33Å; Y56-F75 HydrophobicContact CD1-CE1 4.25Å; Y56-F75 HydrophobicContact CG-CE1 4.13Å; L58-F75 HydrophobicContact CD2-CB 4.45Å; L58-F75 HydrophobicContact CD2-CD1 3.68Å; L58-F75 HydrophobicContact CD2-CD2 3.69Å; L58-F75 HydrophobicContact CD2-CE1 3.71Å; L58-F75 HydrophobicContact CD2-CE2 3.7Å; L58-F75 HydrophobicContact CD2-CG 3.67Å; L58-F75 HydrophobicContact CD2-CZ 3.71Å; F75-I79 HydrophobicContact CB-CG2 4.49Å; F75-I79 HydrophobicContact CD1-CG2 4.03Å; F75-I79 HydrophobicContact CE1-CD1 4.14Å; F75-I79 HydrophobicContact CE1-CG2 4.5Å; F75-I79 HydrophobicContact CG-CG2 4.22Å; F75-I84 HydrophobicContact CB-CG2 4.25Å; F75-I84 HydrophobicContact CD2-CD1 3.9Å; F75-I84 HydrophobicContact CD2-CG1 4.28Å; F75-I84 HydrophobicContact CD2-CG2 3.77Å; F75-I84 HydrophobicContact CE1-CD1 4.17Å; F75-I84 HydrophobicContact CE2-CD1 3.38Å; F75-I84 HydrophobicContact CE2-CG1 4.04Å; F75-I84 HydrophobicContact CE2-CG2 4.37Å; F75-I84 HydrophobicContact CG-CD1 4.49Å; F75-I84 HydrophobicContact CG-CG2 4.09Å; F75-I84 HydrophobicContact CZ-CD1 3.54Å; F75-G89 PolarHBondContact N-O 3.04Å; F75-I91 HydrophobicContact CD2-CD1 3.59Å; F75-I91 HydrophobicContact CD2-CG1 3.67Å; F75-I91 HydrophobicContact CE2-CD1 3.63Å; F75-I91 HydrophobicContact CE2-CG1 3.9Å; F75-L113 HydrophobicContact CE2-CD2 4.4Å; F75-L117 HydrophobicContact CZ-CD2 4.4Å
76I98.6Very high98.2Very high60 Ų6033 Ų3331%0.30816%0.157SC..SBendtrans-81.3-46.3167.9-61.4169.4000108.6R40 Q57 E59 R74 K78R40-I76 HydrophobicContact CG-CD1 4.46Å; Q57-I76 HydrophobicContact CB-CB 4.09Å; Q57-I76 HydrophobicContact CB-CD1 4.42Å; Q57-I76 PolarHBondContact O-N 3.43Å; E59-I76 HydrophobicContact CB-CD1 3.98Å; E59-I76 HydrophobicContact CB-CG1 3.89Å; R74-I76 PolarHBondContact O-N 2.94Å; I76-K78 PolarHBondContact O-N 2.98Å
77T98.7Very high98.2Very high19 Ų1938.4 Ų38.412%0.11719%0.19CC..SBendtrans-69123.1173.8-59.50000109.7Y56 Q57 Y152 A153Y56-T77 HydrophobicContact CD1-CG2 3.73Å; Y56-T77 HydrophobicContact CE1-CG2 4.24Å; Q57-T77 PolarHBondContact N-OG1 2.68Å; Q57-T77 PolarHBondContact O-N 3.37Å; T77-Y152 VanDerWaalsContact CG2-O 3.28Å; T77-Y152 WeakPolarHBondContact CG2-O 3.21Å; T77-A153 HydrophobicContact CG2-CB 3.94Å
78K98.6Very high98.3Very high74 Ų7441.7 Ų41.732%0.32221%0.21SC..  trans-58.3138174.6-72.8-171.9175-169.60110.8I76 W148 Y152I76-K78 PolarHBondContact O-N 2.98Å; K78-W148 HydrophobicContact CB-CE3 4.04Å; K78-W148 HydrophobicContact CB-CZ3 3.85Å; K78-W148 HydrophobicContact CD-CZ3 4.45Å; K78-Y152 HydrophobicContact CB-CD1 4.11Å; K78-Y152 HydrophobicContact CB-CD2 3.74Å; K78-Y152 HydrophobicContact CB-CE1 4.49Å; K78-Y152 HydrophobicContact CB-CE2 4.16Å; K78-Y152 HydrophobicContact CB-CG 3.72Å; K78-Y152 HydrophobicContact CD-CD1 4.22Å; K78-Y152 HydrophobicContact CD-CE1 3.89Å; K78-Y152 HydrophobicContact CD-CE2 4.3Å; K78-Y152 WeakPolarHBondContact O-CB 3.14Å
79I98.8Very high98.4Very high3 Ų335.6 Ų35.62%0.01519%0.185CC..  trans-145.1147.4-177.6-169.2171.8000110.6Y51 Y56 F75 H81 I84 L117 W148Y51-I79 HydrophobicContact CD1-CD1 3.98Å; Y51-I79 HydrophobicContact CD1-CG1 4.15Å; Y51-I79 HydrophobicContact CE1-CD1 3.93Å; Y51-I79 HydrophobicContact CE1-CG1 3.84Å; Y56-I79 HydrophobicContact CD1-CB 4.29Å; Y56-I79 HydrophobicContact CD1-CD1 3.88Å; Y56-I79 HydrophobicContact CD1-CG1 4.32Å; Y56-I79 HydrophobicContact CE1-CB 4.06Å; Y56-I79 HydrophobicContact CE1-CD1 3.6Å; Y56-I79 HydrophobicContact CE1-CG1 3.78Å; F75-I79 HydrophobicContact CB-CG2 4.49Å; F75-I79 HydrophobicContact CD1-CG2 4.03Å; F75-I79 HydrophobicContact CE1-CD1 4.14Å; F75-I79 HydrophobicContact CE1-CG2 4.5Å; F75-I79 HydrophobicContact CG-CG2 4.22Å; I79-H81 HydrophobicContact CD1-CB 4.46Å; I79-H81 HydrophobicContact CG1-CB 4.34Å; I79-I84 HydrophobicContact CD1-CD1 4.14Å; I79-I84 HydrophobicContact CG2-CB 3.92Å; I79-I84 HydrophobicContact CG2-CD1 3.94Å; I79-I84 HydrophobicContact CG2-CG2 3.51Å; I79-L117 HydrophobicContact CD1-CD1 4.15Å; I79-L117 HydrophobicContact CD1-CD2 3.44Å; I79-L117 VanDerWaalsContact CD1-CD2 3.44Å; I79-L117 HydrophobicContact CD1-CG 4.45Å; I79-W148 VanDerWaalsContact C-CE3 3.45Å
80W98.8Very high98.5Very high2 Ų233.3 Ų33.31%0.00818%0.178CC..  trans-104.198.1173.9-162.6-107.3000108.9Y51 V129 V130 F141 T144 A145 W148Y51-W80 WeakPolarHBondContact CE1-O 3.48Å; Y51-W80 PolarHBondContact OH-O 3.46Å; W80-V129 HydrophobicContact CH2-CG1 4.33Å; W80-V130 HydrophobicContact CD2-CG1 4.19Å; W80-V130 HydrophobicContact CD2-CG2 3.67Å; W80-V130 HydrophobicContact CE3-CG2 3.75Å; W80-V130 HydrophobicContact CG-CG1 4.1Å; W80-V130 HydrophobicContact CG-CG2 4.35Å; W80-V130 HydrophobicContact CH2-CG2 3.8Å; W80-V130 HydrophobicContact CZ2-CB 4.43Å; W80-V130 HydrophobicContact CZ2-CG2 3.74Å; W80-V130 HydrophobicContact CZ3-CG2 3.81Å; W80-F141 AromaticContact CD1-CD2 3.85Å; W80-F141 AromaticContact CD1-CE2 3.91Å; W80-T144 HydrophobicContact CD2-CG2 3.96Å; W80-T144 HydrophobicContact CG-CG2 3.92Å; W80-T144 HydrophobicContact CZ2-CG2 4.31Å; W80-A145 HydrophobicContact CB-CB 4.31Å; W80-W148 HydrophobicContact CB-CB 4.02Å; W80-W148 HydrophobicContact CB-CD2 3.85Å; W80-W148 HydrophobicContact CB-CE3 4.22Å; W80-W148 HydrophobicContact CB-CG 3.76Å; W80-W148 HydrophobicContact CD2-CZ2 4.41Å; W80-W148 HydrophobicContact CE3-CD2 4.08Å; W80-W148 AromaticContact CE3-CE2 3.51Å; W80-W148 HydrophobicContact CE3-CE3 4.42Å; W80-W148 AromaticContact CE3-CH2 3.77Å; W80-W148 HydrophobicContact CE3-CH2 3.77Å; W80-W148 AromaticContact CE3-CZ2 3.35Å; W80-W148 HydrophobicContact CE3-CZ2 3.35Å; W80-W148 HydrophobicContact CE3-CZ3 4.26Å; W80-W148 AromaticContact CE3-NE1 3.93Å; W80-W148 HydrophobicContact CZ3-CH2 4.07Å; W80-W148 AromaticContact CZ3-CZ2 3.61Å; W80-W148 HydrophobicContact CZ3-CZ2 3.61Å
81H98.8Very high98.5Very high0 Ų033 Ų330%018%0.175CC..BIsolated β-bridgetrans-149139.5-176.9-173.9-82.8000110.9Y51 I79 N83 I84 L116 V130Y51-H81 AromaticContact CE2-CD2 3.93Å; Y51-H81 AromaticContact CZ-CD2 3.73Å; Y51-H81 PolarHBondContact OH-CD2 3.45Å; I79-H81 HydrophobicContact CD1-CB 4.46Å; I79-H81 HydrophobicContact CG1-CB 4.34Å; H81-N83 VanDerWaalsContact C-N 3.28Å; H81-N83 PolarHBondContact CE1-OD1 3.39Å; H81-N83 PolarHBondContact ND1-N 3.44Å; H81-N83 PolarHBondContact O-N 2.93Å; H81-I84 HydrophobicContact CB-CB 4.15Å; H81-I84 HydrophobicContact CB-CD1 3.97Å; H81-I84 HydrophobicContact CB-CG1 4.23Å; H81-I84 PolarHBondContact O-N 3.06Å; H81-I84 VanDerWaalsContact O-N 3.11Å; H81-L116 PolarHBondContact NE2-O 3.09Å; H81-V130 VanDerWaalsContact C-CG1 3.44Å
82P98.7Very high98.4Very high0 Ų033.2 Ų33.20%018%0.176CC..THydrogen-bonded Turntrans-56.2-39-177-28.437.3000114.2A120 P122 Q126 D127 V130 A131 Y134 F141P82-A120 HydrophobicContact CB-CB 4.44Å; P82-A120 HydrophobicContact CG-CB 3.91Å; P82-P122 HydrophobicContact CB-CB 4.3Å; P82-Q126 PolarHBondContact O-N 3.18Å; P82-D127 PolarHBondContact O-N 3.05Å; P82-V130 HydrophobicContact CG-CG1 4.34Å; P82-A131 HydrophobicContact CB-CB 3.99Å; P82-Y134 HydrophobicContact CG-CD2 3.71Å; P82-Y134 HydrophobicContact CG-CE2 4.43Å; P82-Y134 HydrophobicContact CG-CG 3.87Å; P82-F141 HydrophobicContact CG-CE2 4.36Å
83N98.8Very high98.3Very high4 Ų426.9 Ų26.92%0.02115%0.149CC..THydrogen-bonded Turntrans-93.310.6-178.7-48.293.7000114.2H81 C92 L116 E121 D124 Q126H81-N83 VanDerWaalsContact C-N 3.28Å; H81-N83 PolarHBondContact CE1-OD1 3.39Å; H81-N83 PolarHBondContact ND1-N 3.44Å; H81-N83 PolarHBondContact O-N 2.93Å; N83-C92 HydrophobicContact CB-CB 4.36Å; N83-C92 PolarHBondContact O-N 3.27Å; N83-L116 HydrophobicContact CB-CD1 4.05Å; N83-L116 HydrophobicContact CB-CD2 4.17Å; N83-L116 HydrophobicContact CB-CG 4.44Å; N83-E121 PolarHBondContact ND2-O 3.43Å; N83-E121 PolarHBondContact OD1-N 3.22Å; N83-D124 PolarHBondContact ND2-O 2.9Å; N83-Q126 VanDerWaalsContact O-CB 3.28Å; N83-Q126 WeakPolarHBondContact O-CB 3.41Å
84I98.8Very high98.2Very high0 Ų030 Ų300%017%0.166CC..BIsolated β-bridgetrans-133129.2176.6-53.2162.9000109.7F75 I79 H81 S86 A90 L117F75-I84 HydrophobicContact CB-CG2 4.25Å; F75-I84 HydrophobicContact CD2-CD1 3.9Å; F75-I84 HydrophobicContact CD2-CG1 4.28Å; F75-I84 HydrophobicContact CD2-CG2 3.77Å; F75-I84 HydrophobicContact CE1-CD1 4.17Å; F75-I84 HydrophobicContact CE2-CD1 3.38Å; F75-I84 HydrophobicContact CE2-CG1 4.04Å; F75-I84 HydrophobicContact CE2-CG2 4.37Å; F75-I84 HydrophobicContact CG-CD1 4.49Å; F75-I84 HydrophobicContact CG-CG2 4.09Å; F75-I84 HydrophobicContact CZ-CD1 3.54Å; I79-I84 HydrophobicContact CD1-CD1 4.14Å; I79-I84 HydrophobicContact CG2-CB 3.92Å; I79-I84 HydrophobicContact CG2-CD1 3.94Å; I79-I84 HydrophobicContact CG2-CG2 3.51Å; H81-I84 HydrophobicContact CB-CB 4.15Å; H81-I84 HydrophobicContact CB-CD1 3.97Å; H81-I84 HydrophobicContact CB-CG1 4.23Å; H81-I84 PolarHBondContact O-N 3.06Å; H81-I84 VanDerWaalsContact O-N 3.11Å; I84-S86 PolarHBondContact O-N 2.81Å; I84-A90 CarbonylContact C-O 3.53Å; I84-A90 VanDerWaalsContact CA-O 3.31Å; I84-A90 WeakPolarHBondContact CA-O 3.4Å; I84-L117 HydrophobicContact CD1-CD2 3.7Å
85S98.6Very high98.1Very high17 Ų1726.8 Ų26.812%0.11915%0.154CC..  trans-631231791760000111V87 T88 G89 A90S85-V87 PolarHBondContact O-N 2.89Å; S85-V87 PolarHBondContact OG-N 3.38Å; S85-T88 WeakPolarHBondContact CB-OG1 3.34Å; S85-T88 PolarHBondContact OG-N 2.88Å; S85-T88 VanDerWaalsContact OG-N 3.17Å; S85-T88 PolarHBondContact OG-OG1 2.86Å; S85-T88 VanDerWaalsContact OG-OG1 3.06Å; S85-G89 WeakPolarHBondContact O-CA 3.39Å; S85-G89 PolarHBondContact O-N 2.98Å; S85-A90 PolarHBondContact N-O 3.46Å
86S98.3Very high98Very high12 Ų1227.9 Ų27.98%0.08416%0.161CC..THydrogen-bonded Turntrans-65.2-17.5176.461.50000113.7I84 D127I84-S86 PolarHBondContact O-N 2.81Å; S86-D127 VanDerWaalsContact CB-OD2 3.27Å; S86-D127 WeakPolarHBondContact CB-OD2 3.39Å; S86-D127 PolarHBondContact N-OD2 3.22Å; S86-D127 PolarHBondContact OG-OD2 3.19Å
87V97.6Very high97.7Very high115 Ų11530 Ų3070%0.69717%0.168SC*.THydrogen-bonded Turntrans-97.5-49.6-178.7-179.50000111.7S85S85-V87 PolarHBondContact O-N 2.89Å; S85-V87 PolarHBondContact OG-N 3.38Å
88T97.9Very high97.5Very high72 Ų7234.8 Ų34.844%0.44219%0.192SC..THydrogen-bonded Turntrans-105.2-20.3-169.564.30000113.9R74 S85 A90R74-T88 VanDerWaalsContact CD-O 3.23Å; R74-T88 WeakPolarHBondContact CD-O 3.35Å; R74-T88 VanDerWaalsContact CG-O 3.29Å; R74-T88 WeakPolarHBondContact CG-O 3.44Å; R74-T88 PolarHBondContact NH1-O 3.09Å; S85-T88 WeakPolarHBondContact CB-OG1 3.34Å; S85-T88 PolarHBondContact OG-N 2.88Å; S85-T88 VanDerWaalsContact OG-N 3.17Å; S85-T88 PolarHBondContact OG-OG1 2.86Å; S85-T88 VanDerWaalsContact OG-OG1 3.06Å; T88-A90 PolarHBondContact O-N 3.42Å; T88-A90 WeakPolarHBondContact OG1-CB 3.48Å; T88-A90 PolarHBondContact OG1-N 3.46Å
89G98.4Very high97.4Very high7 Ų736.3 Ų36.37%0.07220%0.2CC..  trans72.911.5-169.500000114.2R74 F75 S85R74-G89 WeakPolarHBondContact CA-O 3.03Å; R74-G89 WeakPolarHBondContact CG-O 3.3Å; F75-G89 PolarHBondContact N-O 3.04Å; S85-G89 WeakPolarHBondContact O-CA 3.39Å; S85-G89 PolarHBondContact O-N 2.98Å
90A98.3Very high97.4Very high33 Ų3337.6 Ų37.627%0.27321%0.205SC..  trans-58.8146.8170.500000110.7I84 S85 T88 Q126I84-A90 CarbonylContact C-O 3.53Å; I84-A90 VanDerWaalsContact CA-O 3.31Å; I84-A90 WeakPolarHBondContact CA-O 3.4Å; S85-A90 PolarHBondContact N-O 3.46Å; T88-A90 PolarHBondContact O-N 3.42Å; T88-A90 WeakPolarHBondContact OG1-CB 3.48Å; T88-A90 PolarHBondContact OG1-N 3.46Å; A90-Q126 WeakPolarHBondContact O-CG 3.31Å
91I98.6Very high97.3Very high15 Ų1539.6 Ų39.68%0.07722%0.222CC..BIsolated β-bridgetrans-119.4129.6-169.7-53.8168.5000109.4V73 F75 L93 L96 L113 L116V73-I91 HydrophobicContact CB-CD1 4.03Å; V73-I91 HydrophobicContact CG1-CD1 3.82Å; F75-I91 HydrophobicContact CD2-CD1 3.59Å; F75-I91 HydrophobicContact CD2-CG1 3.67Å; F75-I91 HydrophobicContact CE2-CD1 3.63Å; F75-I91 HydrophobicContact CE2-CG1 3.9Å; I91-L93 HydrophobicContact CG2-CB 3.9Å; I91-L96 HydrophobicContact CB-CD1 4.22Å; I91-L96 HydrophobicContact CD1-CD1 4.22Å; I91-L96 HydrophobicContact CG2-CD1 4.09Å; I91-L113 HydrophobicContact CD1-CD1 4.4Å; I91-L113 HydrophobicContact CD1-CD2 3.83Å; I91-L113 HydrophobicContact CG2-CD2 3.87Å; I91-L116 HydrophobicContact CG2-CD2 4.12Å
92C96.8Very high97.2Very high6 Ų641.4 Ų41.44%0.04124%0.237CC..  trans-95.199.3164.2-1690000108.9N83 K97 D124 Q126N83-C92 HydrophobicContact CB-CB 4.36Å; N83-C92 PolarHBondContact O-N 3.27Å; C92-K97 PolarHBondContact SG-NZ 3.18Å; C92-D124 PolarHBondContact SG-OD2 3.36Å; C92-D124 VanDerWaalsContact SG-OD2 3.33Å; C92-Q126 HydrophobicContact CB-CB 3.76Å; C92-Q126 HydrophobicContact CB-CG 4.37Å
93L96.2Very high97.2Very high23 Ų2345.7 Ų45.712%0.1227%0.272CS..  trans-146.4130.3173.5-176.264.4000108.5I91 I95 L96 L113 L116I91-L93 HydrophobicContact CG2-CB 3.9Å; L93-I95 HydrophobicContact CD2-CD1 4.03Å; L93-I95 HydrophobicContact CD2-CG1 3.67Å; L93-I95 HydrophobicContact CG-CG1 3.9Å; L93-I95 PolarHBondContact O-N 2.72Å; L93-L96 HydrophobicContact CB-CD1 4.35Å; L93-L96 HydrophobicContact CB-CG 4.41Å; L93-L96 WeakPolarHBondContact O-CB 3.27Å; L93-L96 PolarHBondContact O-N 2.87Å; L93-L113 HydrophobicContact CD2-CD2 3.89Å; L93-L113 HydrophobicContact CD2-CG 4.46Å; L93-L116 HydrophobicContact CB-CD2 4.34Å; L93-L116 HydrophobicContact CD1-CD1 4.36Å; L93-L116 HydrophobicContact CD1-CD2 4.34Å
94D94.9Very high97.1Very high81 Ų8147.6 Ų47.643%0.43328%0.282SS..G310 helixtrans-58.4-39.7-173.864.5-22.2000113.7L96 K97 D98 Q99D94-L96 PolarHBondContact O-N 2.9Å; D94-K97 CarbonylContact O-C 3.39Å; D94-K97 WeakPolarHBondContact O-CA 3.44Å; D94-K97 PolarHBondContact O-N 3.47Å; D94-D98 PolarHBondContact O-N 3.18Å; D94-Q99 HydrophobicContact CB-CB 4.01Å; D94-Q99 HydrophobicContact CB-CG 3.73Å; D94-Q99 PolarHBondContact O-N 3.31Å
95I96.7Very high97.1Very high16 Ų1648.2 Ų48.28%0.08229%0.286CS..G310 helixtrans-66-19.317872.5165.9000112.9L93 K97 W100 M104 V109 S112L93-I95 HydrophobicContact CD2-CD1 4.03Å; L93-I95 HydrophobicContact CD2-CG1 3.67Å; L93-I95 HydrophobicContact CG-CG1 3.9Å; L93-I95 PolarHBondContact O-N 2.72Å; I95-K97 VanDerWaalsContact C-N 3.3Å; I95-W100 WeakPolarHBondContact O-CB 3.48Å; I95-M104 HydrophobicContact CB-CE 4.01Å; I95-M104 HydrophobicContact CB-SD 3.85Å; I95-M104 HydrophobicContact CD1-SD 4.48Å; I95-M104 HydrophobicContact CG2-CE 3.63Å; I95-M104 HydrophobicContact CG2-SD 4.13Å; I95-V109 HydrophobicContact CD1-CG2 4.29Å; I95-S112 VanDerWaalsContact CD1-CB 3.48Å
96L96.5Very high97.1Very high27 Ų2747.6 Ų47.614%0.14128%0.281CS..G310 helixtrans-90.62.3174-59.2-179.2000112.1P70 V73 I91 L93 D94 V109 L113P70-L96 WeakPolarHBondContact CG-O 3.35Å; V73-L96 HydrophobicContact CB-CD1 4.06Å; V73-L96 HydrophobicContact CG2-CD1 4.37Å; V73-L96 HydrophobicContact CG2-CD2 4Å; I91-L96 HydrophobicContact CB-CD1 4.22Å; I91-L96 HydrophobicContact CD1-CD1 4.22Å; I91-L96 HydrophobicContact CG2-CD1 4.09Å; L93-L96 HydrophobicContact CB-CD1 4.35Å; L93-L96 HydrophobicContact CB-CG 4.41Å; L93-L96 WeakPolarHBondContact O-CB 3.27Å; L93-L96 PolarHBondContact O-N 2.87Å; D94-L96 PolarHBondContact O-N 2.9Å; L96-V109 HydrophobicContact CD2-CG1 4.08Å; L96-L113 HydrophobicContact CD1-CD2 4.41Å
97K93.4Very high97.1Very high105 Ų10550.1 Ų50.146%0.45729%0.289SS..THydrogen-bonded Turntrans-126.6-108.1-178.3-63.4177.7-179.3175.30110.1C92 D94 I95C92-K97 PolarHBondContact SG-NZ 3.18Å; D94-K97 CarbonylContact O-C 3.39Å; D94-K97 WeakPolarHBondContact O-CA 3.44Å; D94-K97 PolarHBondContact O-N 3.47Å; I95-K97 VanDerWaalsContact C-N 3.3Å
98D94Very high97.1Very high118 Ų11846.9 Ų46.963%0.63127%0.269SS*.THydrogen-bonded Turntrans-91.6-20.8-169.959.6-65.1000113.7D94 W100D94-D98 PolarHBondContact O-N 3.18Å; D98-W100 VanDerWaalsContact C-N 3.3Å; D98-W100 PolarHBondContact O-N 3Å
99Q96.8Very high97.1Very high106 Ų10643.6 Ų43.650%0.49525%0.249SC..SBendtrans-91.713.3177.9-59.4-58.7-41.900113.3D94 A101 M104D94-Q99 HydrophobicContact CB-CB 4.01Å; D94-Q99 HydrophobicContact CB-CG 3.73Å; D94-Q99 PolarHBondContact O-N 3.31Å; Q99-A101 PolarHBondContact O-N 3.22Å; Q99-M104 VanDerWaalsContact O-CE 3.31Å; Q99-M104 WeakPolarHBondContact O-CE 3.5Å
100W98.1Very high97.1Very high30 Ų3043.3 Ų43.311%0.11425%0.246CC..  trans-64.7127.4175.6176.5-105.5000111.3Y66 P67 P70 I95 D98 M104 V109Y66-W100 HydrophobicContact CD2-CZ2 4.37Å; Y66-W100 AromaticContact CE2-CH2 3.81Å; Y66-W100 HydrophobicContact CE2-CH2 3.81Å; Y66-W100 AromaticContact CE2-CZ2 3.51Å; Y66-W100 HydrophobicContact CE2-CZ2 3.51Å; P67-W100 PolarHBondContact O-NE1 3.41Å; P70-W100 HydrophobicContact CB-CB 4.02Å; P70-W100 HydrophobicContact CB-CD2 3.57Å; P70-W100 HydrophobicContact CB-CE3 3.64Å; P70-W100 HydrophobicContact CB-CG 3.74Å; P70-W100 HydrophobicContact CB-CZ3 4.33Å; P70-W100 HydrophobicContact CG-CB 4.03Å; P70-W100 HydrophobicContact CG-CD2 4.42Å; P70-W100 HydrophobicContact CG-CG 4.07Å; I95-W100 WeakPolarHBondContact O-CB 3.48Å; D98-W100 VanDerWaalsContact C-N 3.3Å; D98-W100 PolarHBondContact O-N 3Å; W100-M104 HydrophobicContact CD2-SD 4.42Å; W100-M104 HydrophobicContact CE3-CB 4Å; W100-M104 HydrophobicContact CE3-CG 4.44Å; W100-M104 HydrophobicContact CE3-SD 3.65Å; W100-M104 HydrophobicContact CH2-CB 3.66Å; W100-M104 HydrophobicContact CZ2-CB 4.34Å; W100-M104 HydrophobicContact CZ3-CB 3.47Å; W100-M104 VanDerWaalsContact CZ3-CB 3.47Å; W100-M104 HydrophobicContact CZ3-CG 4.32Å; W100-M104 HydrophobicContact CZ3-SD 3.96Å; W100-V109 HydrophobicContact CH2-CG2 4.43Å; W100-V109 HydrophobicContact CZ3-CG2 3.76Å
101A97.7Very high97.1Very high45 Ų4543.8 Ų43.837%0.37224%0.243SC..  trans-114.8137.6170.700000110.4Q99 A103 M104Q99-A101 PolarHBondContact O-N 3.22Å; A101-A103 PolarHBondContact O-N 3.1Å; A101-M104 HydrophobicContact CB-CE 4.23Å; A101-M104 HydrophobicContact CB-CG 4.28Å; A101-M104 VanDerWaalsContact O-CB 3.29Å; A101-M104 WeakPolarHBondContact O-CB 3.38Å; A101-M104 WeakPolarHBondContact O-CG 3.44Å; A101-M104 PolarHBondContact O-N 3.33Å
102A96.7Very high97.1Very high38 Ų3845 Ų4531%0.31425%0.254SS..THydrogen-bonded Turntrans-62.2-9.1178.600000114.5R8 P67R8-A102 VanDerWaalsContact CZ-O 3.29Å; R8-A102 PolarHBondContact NH1-O 2.91Å; R8-A102 PolarHBondContact NH2-O 3.36Å; P67-A102 HydrophobicContact CB-CB 4.48Å; P67-A102 HydrophobicContact CG-CB 4.45Å; P67-A102 WeakPolarHBondContact O-CA 3.49Å; P67-A102 WeakPolarHBondContact O-CB 3.26Å
103A97.2Very high97.2Very high89 Ų8944.8 Ų44.874%0.73625%0.252SS*.THydrogen-bonded Turntrans-81.6-18.9171.700000113.6A101A101-A103 PolarHBondContact O-N 3.1Å
104M98.2Very high97.3Very high44 Ų4445 Ų4522%0.21725%0.252CS..  trans-66.4153.1175.6-65.5177.5-179.700110.9R8 I95 Q99 W100 A101R8-M104 PolarHBondContact NH2-O 3.3Å; I95-M104 HydrophobicContact CB-CE 4.01Å; I95-M104 HydrophobicContact CB-SD 3.85Å; I95-M104 HydrophobicContact CD1-SD 4.48Å; I95-M104 HydrophobicContact CG2-CE 3.63Å; I95-M104 HydrophobicContact CG2-SD 4.13Å; Q99-M104 VanDerWaalsContact O-CE 3.31Å; Q99-M104 WeakPolarHBondContact O-CE 3.5Å; W100-M104 HydrophobicContact CD2-SD 4.42Å; W100-M104 HydrophobicContact CE3-CB 4Å; W100-M104 HydrophobicContact CE3-CG 4.44Å; W100-M104 HydrophobicContact CE3-SD 3.65Å; W100-M104 HydrophobicContact CH2-CB 3.66Å; W100-M104 HydrophobicContact CZ2-CB 4.34Å; W100-M104 HydrophobicContact CZ3-CB 3.47Å; W100-M104 VanDerWaalsContact CZ3-CB 3.47Å; W100-M104 HydrophobicContact CZ3-CG 4.32Å; W100-M104 HydrophobicContact CZ3-SD 3.96Å; A101-M104 HydrophobicContact CB-CE 4.23Å; A101-M104 HydrophobicContact CB-CG 4.28Å; A101-M104 VanDerWaalsContact O-CB 3.29Å; A101-M104 WeakPolarHBondContact O-CB 3.38Å; A101-M104 WeakPolarHBondContact O-CG 3.44Å; A101-M104 PolarHBondContact O-N 3.33Å
105T97.9Very high97.4Very high14 Ų1443.9 Ų43.99%0.08625%0.254CS..  trans-129.2167.8-176.569.50000111.6E12 R107 T108 V109E12-T105 HydrophobicContact CG-CG2 3.94Å; E12-T105 WeakPolarHBondContact OE2-CA 3.37Å; T105-R107 PolarHBondContact O-N 3.18Å; T105-R107 PolarHBondContact OG1-N 2.78Å; T105-T108 PolarHBondContact N-OG1 2.78Å; T105-T108 PolarHBondContact O-N 3.15Å; T105-T108 PolarHBondContact O-OG1 3.21Å; T105-T108 PolarHBondContact OG1-N 2.72Å; T105-V109 WeakPolarHBondContact O-CG2 3.36Å; T105-V109 PolarHBondContact O-N 3.4Å
106L98.1Very high97.5Very high3 Ų343.9 Ų43.92%0.01625%0.254CS..Hα-helixtrans-50.2-41.2168.3-65.8176.1000112.1I9 E12 V16 L39 I60 I62 V109 L110I9-L106 HydrophobicContact CD1-CD1 4.45Å; I9-L106 HydrophobicContact CG2-CD1 4.49Å; E12-L106 HydrophobicContact CB-CB 4.33Å; E12-L106 HydrophobicContact CB-CD1 4.16Å; E12-L106 HydrophobicContact CB-CG 4.18Å; E12-L106 PolarHBondContact OE2-N 2.88Å; V16-L106 HydrophobicContact CG2-CB 4.13Å; L39-L106 HydrophobicContact CD1-CD1 3.57Å; L39-L106 HydrophobicContact CD1-CD2 4Å; L39-L106 HydrophobicContact CD1-CG 4.46Å; I60-L106 HydrophobicContact CG2-CD2 4.22Å; I62-L106 HydrophobicContact CD1-CD2 4.21Å; L106-V109 PolarHBondContact O-N 2.86Å; L106-L110 VanDerWaalsContact O-CG 3.29Å; L106-L110 WeakPolarHBondContact O-CG 3.36Å; L106-L110 PolarHBondContact O-N 3.46Å
107R98.2Very high97.6Very high66 Ų6642.9 Ų42.925%0.24925%0.249CC..Hα-helixtrans-60.6-51.6177.5179.2172.5170.1-84.1-1.3111.3V16 E21 I27 T105 V109 L110 L111V16-R107 HydrophobicContact CG2-CB 3.82Å; E21-R107 IonicContact OE1-CZ 3.64Å; E21-R107 IonicContact OE1-NE 3.09Å; E21-R107 IonicContact OE1-NH2 2.8Å; E21-R107 PolarHBondContact OE1-NH2 3.46Å; E21-R107 IonicContact OE2-CZ 2.75Å; E21-R107 IonicContact OE2-NE 2.74Å; E21-R107 PolarHBondContact OE2-NE 3.48Å; E21-R107 IonicContact OE2-NH2 3.69Å; E21-R107 PolarHBondContact OE2-NH2 2.75Å; E21-R107 VanDerWaalsContact OE2-NH2 3.09Å; I27-R107 HydrophobicContact CD1-CG 4.02Å; T105-R107 PolarHBondContact O-N 3.18Å; T105-R107 PolarHBondContact OG1-N 2.78Å; R107-V109 VanDerWaalsContact C-N 3.32Å; R107-V109 PolarHBondContact O-N 2.88Å; R107-L110 PolarHBondContact O-N 2.89Å; R107-L111 HydrophobicContact CG-CD1 4.01Å; R107-L111 WeakPolarHBondContact O-CG 3.3Å; R107-L111 PolarHBondContact O-N 3.28Å; R107-L111 VanDerWaalsContact O-N 3.09Å
108T98Very high97.8Very high47 Ų4740.8 Ų40.829%0.28825%0.251SS..Hα-helixtrans-66-36.5-177.960.30000111.7T105 L111 S112T105-T108 PolarHBondContact N-OG1 2.78Å; T105-T108 PolarHBondContact O-N 3.15Å; T105-T108 PolarHBondContact O-OG1 3.21Å; T105-T108 PolarHBondContact OG1-N 2.72Å; T108-L111 PolarHBondContact O-N 3.03Å; T108-S112 WeakPolarHBondContact O-CB 3.47Å; T108-S112 PolarHBondContact O-N 2.81Å; T108-S112 PolarHBondContact O-OG 2.88Å
109V98.5Very high98Very high3 Ų338.4 Ų38.42%0.01825%0.249CC..Hα-helixtrans-61-47175.2170.70000111.4P71 V73 I95 L96 W100 T105 L106 R107 L111 S112 L113P71-V109 HydrophobicContact CG-CG2 4.41Å; V73-V109 HydrophobicContact CG2-CG1 4.16Å; I95-V109 HydrophobicContact CD1-CG2 4.29Å; L96-V109 HydrophobicContact CD2-CG1 4.08Å; W100-V109 HydrophobicContact CH2-CG2 4.43Å; W100-V109 HydrophobicContact CZ3-CG2 3.76Å; T105-V109 WeakPolarHBondContact O-CG2 3.36Å; T105-V109 PolarHBondContact O-N 3.4Å; L106-V109 PolarHBondContact O-N 2.86Å; R107-V109 VanDerWaalsContact C-N 3.32Å; R107-V109 PolarHBondContact O-N 2.88Å; V109-L111 VanDerWaalsContact C-N 3.33Å; V109-L111 PolarHBondContact O-N 2.93Å; V109-S112 PolarHBondContact O-N 3.01Å; V109-L113 HydrophobicContact CG1-CD1 4.24Å; V109-L113 WeakPolarHBondContact O-CG 3.44Å; V109-L113 PolarHBondContact O-N 2.92Å
110L98.6Very high98Very high0 Ų034.2 Ų34.20%023%0.232CC..Hα-helixtrans-61.7-41.6178.2-68.1171.7000111.7V16 I27 I43 L58 I60 L106 R107 L113 Q114V16-L110 HydrophobicContact CG1-CD1 4.38Å; I27-L110 HydrophobicContact CB-CB 4.16Å; I27-L110 HydrophobicContact CB-CD1 4.16Å; I27-L110 HydrophobicContact CD1-CB 4.27Å; I27-L110 HydrophobicContact CD1-CD1 4.34Å; I27-L110 HydrophobicContact CG2-CB 3.99Å; I43-L110 HydrophobicContact CG2-CB 4.08Å; I43-L110 HydrophobicContact CG2-CD2 3.85Å; L58-L110 HydrophobicContact CD1-CD2 3.56Å; I60-L110 HydrophobicContact CD1-CD2 4.26Å; L106-L110 VanDerWaalsContact O-CG 3.29Å; L106-L110 WeakPolarHBondContact O-CG 3.36Å; L106-L110 PolarHBondContact O-N 3.46Å; R107-L110 PolarHBondContact O-N 2.89Å; L110-L113 PolarHBondContact O-N 3.45Å; L110-Q114 PolarHBondContact O-N 3.29Å
111L98.2Very high98Very high43 Ų4337.6 Ų37.623%0.22525%0.249CC..Hα-helixtrans-69.1-38.3177.7-65.2174.3000112.7E21 I27 R107 T108 V109 L113 Q114 A115E21-L111 HydrophobicContact CB-CD2 4.33Å; E21-L111 HydrophobicContact CG-CD2 3.9Å; I27-L111 HydrophobicContact CD1-CD2 4.18Å; I27-L111 HydrophobicContact CD1-CG 4.25Å; I27-L111 HydrophobicContact CG2-CD2 3.91Å; R107-L111 HydrophobicContact CG-CD1 4.01Å; R107-L111 WeakPolarHBondContact O-CG 3.3Å; R107-L111 PolarHBondContact O-N 3.28Å; R107-L111 VanDerWaalsContact O-N 3.09Å; T108-L111 PolarHBondContact O-N 3.03Å; V109-L111 VanDerWaalsContact C-N 3.33Å; V109-L111 PolarHBondContact O-N 2.93Å; L111-L113 VanDerWaalsContact C-N 3.32Å; L111-L113 PolarHBondContact O-N 2.71Å; L111-Q114 WeakPolarHBondContact O-CB 3.34Å; L111-Q114 PolarHBondContact O-N 2.85Å; L111-A115 WeakPolarHBondContact O-CB 3.38Å; L111-A115 PolarHBondContact O-N 2.69Å
112S98.3Very high97.9Very high42 Ų4236.2 Ų36.229%0.29424%0.236SC..Hα-helixtrans-64.5-37.1174.4-67.30000112I95 T108 V109 A115 L116I95-S112 VanDerWaalsContact CD1-CB 3.48Å; T108-S112 WeakPolarHBondContact O-CB 3.47Å; T108-S112 PolarHBondContact O-N 2.81Å; T108-S112 PolarHBondContact O-OG 2.88Å; V109-S112 PolarHBondContact O-N 3.01Å; S112-A115 PolarHBondContact O-N 3.38Å; S112-L116 WeakPolarHBondContact O-CB 3.45Å; S112-L116 PolarHBondContact O-N 2.97Å
113L98.6Very high98Very high1 Ų140 Ų401%0.00525%0.251CS..Hα-helixtrans-66.5-39.5172.7-69.9171.8000112I43 L58 V73 F75 I91 L93 L96 V109 L110 L111 A115 L116 L117I43-L113 HydrophobicContact CD1-CB 4Å; L58-L113 HydrophobicContact CD1-CD1 3.73Å; V73-L113 HydrophobicContact CG1-CD1 3.86Å; F75-L113 HydrophobicContact CE2-CD2 4.4Å; I91-L113 HydrophobicContact CD1-CD1 4.4Å; I91-L113 HydrophobicContact CD1-CD2 3.83Å; I91-L113 HydrophobicContact CG2-CD2 3.87Å; L93-L113 HydrophobicContact CD2-CD2 3.89Å; L93-L113 HydrophobicContact CD2-CG 4.46Å; L96-L113 HydrophobicContact CD1-CD2 4.41Å; V109-L113 HydrophobicContact CG1-CD1 4.24Å; V109-L113 WeakPolarHBondContact O-CG 3.44Å; V109-L113 PolarHBondContact O-N 2.92Å; L110-L113 PolarHBondContact O-N 3.45Å; L111-L113 VanDerWaalsContact C-N 3.32Å; L111-L113 PolarHBondContact O-N 2.71Å; L113-A115 VanDerWaalsContact C-N 3.34Å; L113-L116 WeakPolarHBondContact O-CB 3.45Å; L113-L116 PolarHBondContact O-N 2.84Å; L113-L117 PolarHBondContact O-N 2.72Å
114Q98.2Very high97.9Very high26 Ų2640.3 Ų40.312%0.12124%0.241CC..Hα-helixtrans-62.8-42.1173.5-171.217643.600111.2A44 P46 L110 L111 L117 A118A44-Q114 PolarHBondContact O-NE2 3.4Å; P46-Q114 HydrophobicContact CG-CG 3.78Å; P46-Q114 WeakPolarHBondContact CG-O 3.36Å; L110-Q114 PolarHBondContact O-N 3.29Å; L111-Q114 WeakPolarHBondContact O-CB 3.34Å; L111-Q114 PolarHBondContact O-N 2.85Å; Q114-L117 PolarHBondContact O-N 3.36Å; Q114-A118 PolarHBondContact O-N 3Å
115A98.1Very high97.8Very high58 Ų5840.7 Ų40.748%0.47925%0.246SC..Hα-helixtrans-63.7-39.2175.100000112.4L111 S112 L113 L117 A118 A119L111-A115 WeakPolarHBondContact O-CB 3.38Å; L111-A115 PolarHBondContact O-N 2.69Å; S112-A115 PolarHBondContact O-N 3.38Å; L113-A115 VanDerWaalsContact C-N 3.34Å; A115-L117 VanDerWaalsContact C-N 3.28Å; A115-L117 PolarHBondContact O-N 2.86Å; A115-A118 PolarHBondContact O-N 3.47Å; A115-A119 PolarHBondContact O-N 3.04Å
116L98.2Very high97.9Very high16 Ų1643.4 Ų43.48%0.08426%0.258CS..Hα-helixtrans-57.5-40.8175.1-179.764.4000111.5H81 N83 I91 L93 S112 L113 A118 A119 A120H81-L116 PolarHBondContact NE2-O 3.09Å; N83-L116 HydrophobicContact CB-CD1 4.05Å; N83-L116 HydrophobicContact CB-CD2 4.17Å; N83-L116 HydrophobicContact CB-CG 4.44Å; I91-L116 HydrophobicContact CG2-CD2 4.12Å; L93-L116 HydrophobicContact CB-CD2 4.34Å; L93-L116 HydrophobicContact CD1-CD1 4.36Å; L93-L116 HydrophobicContact CD1-CD2 4.34Å; S112-L116 WeakPolarHBondContact O-CB 3.45Å; S112-L116 PolarHBondContact O-N 2.97Å; L113-L116 WeakPolarHBondContact O-CB 3.45Å; L113-L116 PolarHBondContact O-N 2.84Å; L116-A118 PolarHBondContact O-N 3.28Å; L116-A119 CarbonylContact O-C 3.58Å; L116-A119 PolarHBondContact O-N 3.35Å; L116-A120 PolarHBondContact O-N 3.28Å
117L98.6Very high97.9Very high6 Ų644.2 Ų44.23%0.03126%0.262CS..Hα-helixtrans-63.4-27176-62.1-170.5000113.3I43 P46 Y51 Y56 F75 I79 I84 L113 Q114 A115I43-L117 HydrophobicContact CD1-CD1 4.03Å; P46-L117 HydrophobicContact CG-CB 3.93Å; Y51-L117 HydrophobicContact CD2-CB 3.85Å; Y51-L117 WeakPolarHBondContact CD2-O 3.26Å; Y51-L117 HydrophobicContact CE2-CB 4.23Å; Y51-L117 WeakPolarHBondContact CE2-O 3.49Å; Y51-L117 HydrophobicContact CG-CB 4.49Å; Y51-L117 HydrophobicContact CG-CD1 4.49Å; Y56-L117 HydrophobicContact CD2-CD1 4.18Å; Y56-L117 HydrophobicContact CE2-CD1 4.29Å; F75-L117 HydrophobicContact CZ-CD2 4.4Å; I79-L117 HydrophobicContact CD1-CD1 4.15Å; I79-L117 HydrophobicContact CD1-CD2 3.44Å; I79-L117 VanDerWaalsContact CD1-CD2 3.44Å; I79-L117 HydrophobicContact CD1-CG 4.45Å; I84-L117 HydrophobicContact CD1-CD2 3.7Å; L113-L117 PolarHBondContact O-N 2.72Å; Q114-L117 PolarHBondContact O-N 3.36Å; A115-L117 VanDerWaalsContact C-N 3.28Å; A115-L117 PolarHBondContact O-N 2.86Å
118A98.1Very high97.9Very high61 Ų6144.7 Ų44.750%0.50428%0.28SS..Hα-helixtrans-85.9-23.2176.600000113.1P46 T49 Q114 A115 L116P46-A118 HydrophobicContact CB-CB 4.15Å; P46-A118 HydrophobicContact CG-CB 4.09Å; T49-A118 HydrophobicContact CG2-CB 4.05Å; Q114-A118 PolarHBondContact O-N 3Å; A115-A118 PolarHBondContact O-N 3.47Å; L116-A118 PolarHBondContact O-N 3.28Å
119A97.6Very high97.9Very high69 Ų6945.8 Ų45.857%0.5729%0.287SS*.SBendtrans-139.581.4-175.100000110.5A115 L116A115-A119 PolarHBondContact O-N 3.04Å; L116-A119 CarbonylContact O-C 3.58Å; L116-A119 PolarHBondContact O-N 3.35Å
120A97.8Very high97.9Very high18 Ų1845.6 Ų45.615%0.14929%0.286CS..  trans-68.5148.1175.600000111.7P82 L116 P122 Y134P82-A120 HydrophobicContact CB-CB 4.44Å; P82-A120 HydrophobicContact CG-CB 3.91Å; L116-A120 PolarHBondContact O-N 3.28Å; A120-P122 WeakPolarHBondContact O-CD 3.38Å; A120-Y134 HydrophobicContact CB-CE2 4.11Å
121E97Very high97.9Very high100 Ų10045.7 Ų45.747%0.46729%0.286SS..  trans-114.784.3174.7-176.448-96.500109.8N83 D123 D124N83-E121 PolarHBondContact ND2-O 3.43Å; N83-E121 PolarHBondContact OD1-N 3.22Å; E121-D123 PolarHBondContact O-N 3.02Å; E121-D123 PolarHBondContact OE1-N 2.89Å; E121-D124 HydrophobicContact CG-CB 4.36Å; E121-D124 PolarHBondContact O-N 3.33Å
122P96.8Very high97.9Very high16 Ų1647.1 Ų47.110%0.10429%0.294CS..THydrogen-bonded Turntrans-72.7-7.6-171.832.9-38.7000114.1P82 A120 A131 Y134 K135P82-P122 HydrophobicContact CB-CB 4.3Å; A120-P122 WeakPolarHBondContact O-CD 3.38Å; P122-A131 HydrophobicContact CB-CB 4.4Å; P122-Y134 HydrophobicContact CB-CD1 3.76Å; P122-Y134 HydrophobicContact CB-CE1 4.3Å; P122-Y134 HydrophobicContact CB-CG 4.36Å; P122-Y134 HydrophobicContact CG-CD1 3.73Å; P122-Y134 HydrophobicContact CG-CE1 3.81Å; P122-K135 HydrophobicContact CB-CD 4.08Å; P122-K135 HydrophobicContact CB-CG 3.91Å; P122-K135 HydrophobicContact CG-CD 4.24Å; P122-K135 HydrophobicContact CG-CG 4.07Å; P122-K135 PolarHBondContact O-NZ 2.8Å
123D96.9Very high97.9Very high117 Ų11745.6 Ų45.663%0.62628%0.282SS*.THydrogen-bonded Turntrans-90.5-13.7177.4-66.5-30.5000113.3E121 P125 K135E121-D123 PolarHBondContact O-N 3.02Å; E121-D123 PolarHBondContact OE1-N 2.89Å; D123-P125 VanDerWaalsContact C-CD 3.4Å; D123-P125 WeakPolarHBondContact O-CD 3.38Å; D123-K135 IonicContact OD1-NZ 3.93Å; D123-K135 PolarHBondContact OD1-NZ 3.42Å
124D95.5Very high97.9Very high97 Ų9749.3 Ų49.352%0.51930%0.297SS..SBendtrans-119.167.5163.6-174.532.7000111.7N83 C92 E121N83-D124 PolarHBondContact ND2-O 2.9Å; C92-D124 PolarHBondContact SG-OD2 3.36Å; C92-D124 VanDerWaalsContact SG-OD2 3.33Å; E121-D124 HydrophobicContact CG-CB 4.36Å; E121-D124 PolarHBondContact O-N 3.33Å
125P97.3Very high97.9Very high52 Ų5253.1 Ų53.134%0.33831%0.313SS..  trans-80.2148.6-168.434.2-37.7000113.2D123 A131D123-P125 VanDerWaalsContact C-CD 3.4Å; D123-P125 WeakPolarHBondContact O-CD 3.38Å; P125-A131 HydrophobicContact CB-CB 3.42Å; P125-A131 VanDerWaalsContact CB-CB 3.42Å; P125-A131 HydrophobicContact CG-CB 4.15Å
126Q98.2Very high97.8Very high71 Ų7157.2 Ų57.233%0.33232%0.322SS..SBendtrans-88.3-29.6163.9-170.851.171.600112P82 N83 A90 C92P82-Q126 PolarHBondContact O-N 3.18Å; N83-Q126 VanDerWaalsContact O-CB 3.28Å; N83-Q126 WeakPolarHBondContact O-CB 3.41Å; A90-Q126 WeakPolarHBondContact O-CG 3.31Å; C92-Q126 HydrophobicContact CB-CB 3.76Å; C92-Q126 HydrophobicContact CB-CG 4.37Å
127D98.3Very high97.8Very high20 Ų2059.6 Ų59.611%0.10734%0.335CS..  trans-127.6105.1179.5-164-44.7000109.9P82 S86 V129 V130 A131P82-D127 PolarHBondContact O-N 3.05Å; S86-D127 VanDerWaalsContact CB-OD2 3.27Å; S86-D127 WeakPolarHBondContact CB-OD2 3.39Å; S86-D127 PolarHBondContact N-OD2 3.22Å; S86-D127 PolarHBondContact OG-OD2 3.19Å; D127-V129 VanDerWaalsContact C-N 3.3Å; D127-V129 PolarHBondContact O-N 3.08Å; D127-V129 PolarHBondContact OD1-N 3.3Å; D127-V130 HydrophobicContact CB-CB 4.07Å; D127-V130 HydrophobicContact CB-CG2 3.8Å; D127-V130 VanDerWaalsContact CG-CG2 3.41Å; D127-V130 PolarHBondContact O-N 3.4Å; D127-V130 PolarHBondContact OD1-N 3.09Å; D127-A131 WeakPolarHBondContact O-CB 3.4Å; D127-A131 PolarHBondContact O-N 3.05Å
128A98.1Very high97.8Very high75 Ų7563.4 Ų63.462%0.6236%0.36SS*.Hα-helixtrans-65.1-32.5-174.400000112.9N132A128-N132 VanDerWaalsContact O-CB 3.26Å; A128-N132 WeakPolarHBondContact O-CB 3.35Å; A128-N132 PolarHBondContact O-N 2.91Å
129V98.1Very high97.8Very high70 Ų7065.3 Ų65.342%0.42436%0.359SS..Hα-helixtrans-68.6-47.1179.1175.50000109.6W80 D127 N132 Q133W80-V129 HydrophobicContact CH2-CG1 4.33Å; D127-V129 VanDerWaalsContact C-N 3.3Å; D127-V129 PolarHBondContact O-N 3.08Å; D127-V129 PolarHBondContact OD1-N 3.3Å; V129-N132 PolarHBondContact O-N 2.84Å; V129-Q133 PolarHBondContact O-N 3.41Å
130V98.6Very high97.8Very high0 Ų063.5 Ų63.50%034%0.339CS..Hα-helixtrans-63.8-45.1178.5-174.50000110.8W80 H81 P82 D127 N132 Q133 Y134 F141W80-V130 HydrophobicContact CD2-CG1 4.19Å; W80-V130 HydrophobicContact CD2-CG2 3.67Å; W80-V130 HydrophobicContact CE3-CG2 3.75Å; W80-V130 HydrophobicContact CG-CG1 4.1Å; W80-V130 HydrophobicContact CG-CG2 4.35Å; W80-V130 HydrophobicContact CH2-CG2 3.8Å; W80-V130 HydrophobicContact CZ2-CB 4.43Å; W80-V130 HydrophobicContact CZ2-CG2 3.74Å; W80-V130 HydrophobicContact CZ3-CG2 3.81Å; H81-V130 VanDerWaalsContact C-CG1 3.44Å; P82-V130 HydrophobicContact CG-CG1 4.34Å; D127-V130 HydrophobicContact CB-CB 4.07Å; D127-V130 HydrophobicContact CB-CG2 3.8Å; D127-V130 VanDerWaalsContact CG-CG2 3.41Å; D127-V130 PolarHBondContact O-N 3.4Å; D127-V130 PolarHBondContact OD1-N 3.09Å; V130-N132 VanDerWaalsContact C-N 3.35Å; V130-N132 PolarHBondContact O-N 3.02Å; V130-Q133 PolarHBondContact O-N 3.05Å; V130-Y134 WeakPolarHBondContact O-CB 3.34Å; V130-Y134 PolarHBondContact O-N 3.2Å; V130-F141 HydrophobicContact CG1-CD2 4.1Å; V130-F141 HydrophobicContact CG1-CE2 3.77Å
131A98.5Very high97.9Very high2 Ų263.2 Ų63.22%0.01733%0.334CS..Hα-helixtrans-64.2-38178.800000112.7P82 P122 P125 D127 Y134 K135P82-A131 HydrophobicContact CB-CB 3.99Å; P122-A131 HydrophobicContact CB-CB 4.4Å; P125-A131 HydrophobicContact CB-CB 3.42Å; P125-A131 VanDerWaalsContact CB-CB 3.42Å; P125-A131 HydrophobicContact CG-CB 4.15Å; D127-A131 WeakPolarHBondContact O-CB 3.4Å; D127-A131 PolarHBondContact O-N 3.05Å; A131-Y134 WeakPolarHBondContact O-CB 3.35Å; A131-Y134 PolarHBondContact O-N 3.47Å; A131-K135 WeakPolarHBondContact O-CG 3.29Å; A131-K135 PolarHBondContact O-N 2.93Å; A131-K135 VanDerWaalsContact O-N 3.08Å
132N98.4Very high97.9Very high72 Ų7262.5 Ų62.539%0.38533%0.329SS..Hα-helixtrans-64.8-44.9174.5-174.467.4000111.3A128 V129 V130 Y134 K135 Q136A128-N132 VanDerWaalsContact O-CB 3.26Å; A128-N132 WeakPolarHBondContact O-CB 3.35Å; A128-N132 PolarHBondContact O-N 2.91Å; V129-N132 PolarHBondContact O-N 2.84Å; V130-N132 VanDerWaalsContact C-N 3.35Å; V130-N132 PolarHBondContact O-N 3.02Å; N132-Y134 VanDerWaalsContact C-N 3.33Å; N132-Y134 PolarHBondContact O-N 3.39Å; N132-K135 PolarHBondContact O-N 2.94Å; N132-Q136 VanDerWaalsContact ND2-CD 3.31Å; N132-Q136 PolarHBondContact ND2-OE1 2.87Å; N132-Q136 WeakPolarHBondContact O-CB 3.23Å; N132-Q136 WeakPolarHBondContact O-CG 3.35Å; N132-Q136 PolarHBondContact O-N 2.88Å; N132-Q136 PolarHBondContact OD1-NE2 2.8Å
133Q98.4Very high98Very high10 Ų1063.5 Ų63.55%0.04733%0.333CS..Hα-helixtrans-61.2-42.1175.1-172.9-178.68000111.7V129 V130 K135 N137 M140 F141 T144 S184V129-Q133 PolarHBondContact O-N 3.41Å; V130-Q133 PolarHBondContact O-N 3.05Å; Q133-K135 VanDerWaalsContact C-N 3.32Å; Q133-K135 PolarHBondContact O-N 3.01Å; Q133-N137 CarbonylContact O-C 3.55Å; Q133-N137 VanDerWaalsContact O-C 3.25Å; Q133-N137 WeakPolarHBondContact O-CA 3.39Å; Q133-N137 PolarHBondContact O-N 3.24Å; Q133-N137 VanDerWaalsContact O-O 3.14Å; Q133-M140 HydrophobicContact CG-CG 4.21Å; Q133-M140 HydrophobicContact CG-SD 4.18Å; Q133-F141 HydrophobicContact CG-CB 4.2Å; Q133-T144 PolarHBondContact OE1-OG1 3.23Å; Q133-S184 PolarHBondContact NE2-O 3.04Å; Q133-S184 VanDerWaalsContact NE2-O 3.13Å
134Y98.4Very high98.1Very high79 Ų7957.9 Ų57.931%0.3130%0.303SS..Hα-helixtrans-55.3-46.4176-174.7-83000112P82 A120 P122 V130 A131 N132 F141P82-Y134 HydrophobicContact CG-CD2 3.71Å; P82-Y134 HydrophobicContact CG-CE2 4.43Å; P82-Y134 HydrophobicContact CG-CG 3.87Å; A120-Y134 HydrophobicContact CB-CE2 4.11Å; P122-Y134 HydrophobicContact CB-CD1 3.76Å; P122-Y134 HydrophobicContact CB-CE1 4.3Å; P122-Y134 HydrophobicContact CB-CG 4.36Å; P122-Y134 HydrophobicContact CG-CD1 3.73Å; P122-Y134 HydrophobicContact CG-CE1 3.81Å; V130-Y134 WeakPolarHBondContact O-CB 3.34Å; V130-Y134 PolarHBondContact O-N 3.2Å; A131-Y134 WeakPolarHBondContact O-CB 3.35Å; A131-Y134 PolarHBondContact O-N 3.47Å; N132-Y134 VanDerWaalsContact C-N 3.33Å; N132-Y134 PolarHBondContact O-N 3.39Å; Y134-F141 AromaticContact CD2-CD1 3.42Å; Y134-F141 HydrophobicContact CD2-CD1 3.42Å; Y134-F141 VanDerWaalsContact CD2-CD1 3.42Å; Y134-F141 AromaticContact CD2-CD2 3.95Å; Y134-F141 HydrophobicContact CD2-CD2 3.95Å; Y134-F141 AromaticContact CD2-CE1 3.32Å; Y134-F141 HydrophobicContact CD2-CE1 3.32Å; Y134-F141 AromaticContact CD2-CE2 3.86Å; Y134-F141 HydrophobicContact CD2-CE2 3.86Å; Y134-F141 AromaticContact CD2-CG 3.74Å; Y134-F141 HydrophobicContact CD2-CG 3.74Å; Y134-F141 AromaticContact CD2-CZ 3.53Å; Y134-F141 HydrophobicContact CD2-CZ 3.53Å; Y134-F141 AromaticContact CE2-CD1 3.89Å; Y134-F141 HydrophobicContact CE2-CD1 3.89Å; Y134-F141 AromaticContact CE2-CE1 3.54Å; Y134-F141 HydrophobicContact CE2-CE1 3.54Å; Y134-F141 AromaticContact CE2-CZ 3.99Å; Y134-F141 HydrophobicContact CE2-CZ 3.99Å; Y134-F141 HydrophobicContact CG-CD1 4.37Å; Y134-F141 HydrophobicContact CG-CG 4.37Å
135K98.1Very high98.2Very high106 Ų10653.3 Ų53.346%0.46128%0.278SS..Hα-helixtrans-76.4-42.4-177.8-70.4-170.7-79.5-1630113.2P122 D123 A131 N132 Q133P122-K135 HydrophobicContact CB-CD 4.08Å; P122-K135 HydrophobicContact CB-CG 3.91Å; P122-K135 HydrophobicContact CG-CD 4.24Å; P122-K135 HydrophobicContact CG-CG 4.07Å; P122-K135 PolarHBondContact O-NZ 2.8Å; D123-K135 IonicContact OD1-NZ 3.93Å; D123-K135 PolarHBondContact OD1-NZ 3.42Å; A131-K135 WeakPolarHBondContact O-CG 3.29Å; A131-K135 PolarHBondContact O-N 2.93Å; A131-K135 VanDerWaalsContact O-N 3.08Å; N132-K135 PolarHBondContact O-N 2.94Å; Q133-K135 VanDerWaalsContact C-N 3.32Å; Q133-K135 PolarHBondContact O-N 3.01Å
136Q97.8Very high98.3Very high144 Ų14454.3 Ų54.367%0.67328%0.275SS*.Hα-helixtrans-84.4-32.3-172.9-67-173.6-15.100113.2N132N132-Q136 VanDerWaalsContact ND2-CD 3.31Å; N132-Q136 PolarHBondContact ND2-OE1 2.87Å; N132-Q136 WeakPolarHBondContact O-CB 3.23Å; N132-Q136 WeakPolarHBondContact O-CG 3.35Å; N132-Q136 PolarHBondContact O-N 2.88Å; N132-Q136 PolarHBondContact OD1-NE2 2.8Å
137N98Very high98.3Very high67 Ų6751 Ų5136%0.35826%0.26SS..  trans-14579.7-178.7-165.9-24.7000111.3Q133 E139 M140 F141Q133-N137 CarbonylContact O-C 3.55Å; Q133-N137 VanDerWaalsContact O-C 3.25Å; Q133-N137 WeakPolarHBondContact O-CA 3.39Å; Q133-N137 PolarHBondContact O-N 3.24Å; Q133-N137 VanDerWaalsContact O-O 3.14Å; N137-E139 VanDerWaalsContact C-N 3.27Å; N137-E139 PolarHBondContact O-N 3.37Å; N137-M140 HydrophobicContact CB-CB 3.9Å; N137-M140 PolarHBondContact O-N 3.4Å; N137-M140 VanDerWaalsContact O-N 3.16Å; N137-M140 WeakPolarHBondContact OD1-CB 3.5Å; N137-M140 PolarHBondContact OD1-N 2.83Å; N137-M140 VanDerWaalsContact OD1-N 3.09Å; N137-F141 PolarHBondContact O-N 3.11Å
138P98.1Very high98.3Very high85 Ų8550.1 Ų50.155%0.55226%0.255SS*.Hα-helixtrans-56.8-36.2-176.1-2734.6000114.3F141 K142P138-F141 PolarHBondContact O-N 3.35Å; P138-K142 WeakPolarHBondContact O-CB 3.46Å; P138-K142 PolarHBondContact O-N 3.2Å
139E98.1Very high98.4Very high102 Ų10246.5 Ų46.548%0.47723%0.225SC..Hα-helixtrans-71.1-42.6179-174.156.3-148.300111.4N137 F141 K142 Q143N137-E139 VanDerWaalsContact C-N 3.27Å; N137-E139 PolarHBondContact O-N 3.37Å; E139-F141 VanDerWaalsContact C-N 3.33Å; E139-F141 PolarHBondContact O-N 3.37Å; E139-K142 WeakPolarHBondContact O-CB 3.29Å; E139-K142 PolarHBondContact O-N 2.88Å; E139-Q143 WeakPolarHBondContact O-CG 3.49Å; E139-Q143 PolarHBondContact O-N 2.87Å; E139-Q143 PolarHBondContact OE1-NE2 2.93Å
140M98.2Very high98.4Very high30 Ų3046.8 Ų46.815%0.14822%0.222CC..Hα-helixtrans-60.8-43.4173.2179.6-177.2-73.500111.3Q133 N137 K142 Q143 T144 S187Q133-M140 HydrophobicContact CG-CG 4.21Å; Q133-M140 HydrophobicContact CG-SD 4.18Å; N137-M140 HydrophobicContact CB-CB 3.9Å; N137-M140 PolarHBondContact O-N 3.4Å; N137-M140 VanDerWaalsContact O-N 3.16Å; N137-M140 WeakPolarHBondContact OD1-CB 3.5Å; N137-M140 PolarHBondContact OD1-N 2.83Å; N137-M140 VanDerWaalsContact OD1-N 3.09Å; M140-K142 PolarHBondContact O-N 3.18Å; M140-Q143 PolarHBondContact O-N 3.48Å; M140-T144 VanDerWaalsContact O-CB 3.31Å; M140-T144 WeakPolarHBondContact O-CB 3.33Å; M140-T144 PolarHBondContact O-N 3.39Å; M140-T144 PolarHBondContact O-OG1 2.79Å; M140-S187 VanDerWaalsContact CE-O 3.25Å; M140-S187 WeakPolarHBondContact CE-O 3.44Å
141F98.6Very high98.4Very high13 Ų1349 Ų496%0.05724%0.235CC..Hα-helixtrans-56.8-49.9173.8165.5-95.5000111.2P50 Y51 W80 P82 V130 Q133 Y134 N137 P138 E139 Q143 T144 A145P50-F141 HydrophobicContact CG-CE1 4.49Å; Y51-F141 WeakPolarHBondContact OH-CZ 3.26Å; W80-F141 AromaticContact CD1-CD2 3.85Å; W80-F141 AromaticContact CD1-CE2 3.91Å; P82-F141 HydrophobicContact CG-CE2 4.36Å; V130-F141 HydrophobicContact CG1-CD2 4.1Å; V130-F141 HydrophobicContact CG1-CE2 3.77Å; Q133-F141 HydrophobicContact CG-CB 4.2Å; Y134-F141 AromaticContact CD2-CD1 3.42Å; Y134-F141 HydrophobicContact CD2-CD1 3.42Å; Y134-F141 VanDerWaalsContact CD2-CD1 3.42Å; Y134-F141 AromaticContact CD2-CD2 3.95Å; Y134-F141 HydrophobicContact CD2-CD2 3.95Å; Y134-F141 AromaticContact CD2-CE1 3.32Å; Y134-F141 HydrophobicContact CD2-CE1 3.32Å; Y134-F141 AromaticContact CD2-CE2 3.86Å; Y134-F141 HydrophobicContact CD2-CE2 3.86Å; Y134-F141 AromaticContact CD2-CG 3.74Å; Y134-F141 HydrophobicContact CD2-CG 3.74Å; Y134-F141 AromaticContact CD2-CZ 3.53Å; Y134-F141 HydrophobicContact CD2-CZ 3.53Å; Y134-F141 AromaticContact CE2-CD1 3.89Å; Y134-F141 HydrophobicContact CE2-CD1 3.89Å; Y134-F141 AromaticContact CE2-CE1 3.54Å; Y134-F141 HydrophobicContact CE2-CE1 3.54Å; Y134-F141 AromaticContact CE2-CZ 3.99Å; Y134-F141 HydrophobicContact CE2-CZ 3.99Å; Y134-F141 HydrophobicContact CG-CD1 4.37Å; Y134-F141 HydrophobicContact CG-CG 4.37Å; N137-F141 PolarHBondContact O-N 3.11Å; P138-F141 PolarHBondContact O-N 3.35Å; E139-F141 VanDerWaalsContact C-N 3.33Å; E139-F141 PolarHBondContact O-N 3.37Å; F141-Q143 VanDerWaalsContact C-N 3.34Å; F141-Q143 PolarHBondContact O-N 2.84Å; F141-T144 PolarHBondContact O-N 3.19Å; F141-A145 HydrophobicContact CE1-CB 4.45Å; F141-A145 HydrophobicContact CE2-CB 4.33Å; F141-A145 HydrophobicContact CZ-CB 4.15Å; F141-A145 WeakPolarHBondContact O-CB 3.3Å; F141-A145 PolarHBondContact O-N 3.06Å
142K98.3Very high98.4Very high84 Ų8451 Ų5137%0.36524%0.243SC..Hα-helixtrans-56.3-46.4179.7178.7176.9-174.8177.80111.9P50 P138 E139 M140 R146P50-K142 HydrophobicContact CG-CG 4.17Å; P138-K142 WeakPolarHBondContact O-CB 3.46Å; P138-K142 PolarHBondContact O-N 3.2Å; E139-K142 WeakPolarHBondContact O-CB 3.29Å; E139-K142 PolarHBondContact O-N 2.88Å; M140-K142 PolarHBondContact O-N 3.18Å; K142-R146 VanDerWaalsContact O-CB 3.25Å; K142-R146 WeakPolarHBondContact O-CB 3.37Å; K142-R146 PolarHBondContact O-N 2.8Å
143Q98.4Very high98.4Very high37 Ų3748.2 Ų48.217%0.17323%0.23CC..Hα-helixtrans-69.9-36.9178.9-61.9-58.6-2500112.4E139 M140 F141 L147 Y162E139-Q143 WeakPolarHBondContact O-CG 3.49Å; E139-Q143 PolarHBondContact O-N 2.87Å; E139-Q143 PolarHBondContact OE1-NE2 2.93Å; M140-Q143 PolarHBondContact O-N 3.48Å; F141-Q143 VanDerWaalsContact C-N 3.34Å; F141-Q143 PolarHBondContact O-N 2.84Å; Q143-L147 WeakPolarHBondContact O-CB 3.36Å; Q143-L147 PolarHBondContact O-N 3.35Å; Q143-Y162 HydrophobicContact CB-CD2 4.23Å; Q143-Y162 HydrophobicContact CB-CE2 3.54Å
144T98.6Very high98.3Very high0 Ų050.6 Ų50.60%026%0.257CS..Hα-helixtrans-65.7-47.7176.3-53.80000110.8W80 Q133 M140 F141 R146 L147 W148 S184 W188W80-T144 HydrophobicContact CD2-CG2 3.96Å; W80-T144 HydrophobicContact CG-CG2 3.92Å; W80-T144 HydrophobicContact CZ2-CG2 4.31Å; Q133-T144 PolarHBondContact OE1-OG1 3.23Å; M140-T144 VanDerWaalsContact O-CB 3.31Å; M140-T144 WeakPolarHBondContact O-CB 3.33Å; M140-T144 PolarHBondContact O-N 3.39Å; M140-T144 PolarHBondContact O-OG1 2.79Å; F141-T144 PolarHBondContact O-N 3.19Å; T144-R146 VanDerWaalsContact C-N 3.34Å; T144-R146 PolarHBondContact O-N 3.09Å; T144-L147 WeakPolarHBondContact O-CB 3.28Å; T144-L147 PolarHBondContact O-N 3.09Å; T144-W148 PolarHBondContact O-N 3.04Å; T144-S184 WeakPolarHBondContact CG2-OG 3.43Å; T144-W188 HydrophobicContact CG2-CZ2 4.21Å; T144-W188 PolarHBondContact OG1-NE1 3Å
145A98.7Very high98.3Very high0 Ų047 Ų470%024%0.244CC..Hα-helixtrans-62.7-40.5177.100000112.3P50 Y51 W80 F141 W148 A149P50-A145 HydrophobicContact CB-CB 3.58Å; P50-A145 HydrophobicContact CG-CB 4.11Å; Y51-A145 HydrophobicContact CE1-CB 3.93Å; W80-A145 HydrophobicContact CB-CB 4.31Å; F141-A145 HydrophobicContact CE1-CB 4.45Å; F141-A145 HydrophobicContact CE2-CB 4.33Å; F141-A145 HydrophobicContact CZ-CB 4.15Å; F141-A145 WeakPolarHBondContact O-CB 3.3Å; F141-A145 PolarHBondContact O-N 3.06Å; A145-W148 PolarHBondContact O-N 3.17Å; A145-A149 WeakPolarHBondContact O-CB 3.47Å; A145-A149 PolarHBondContact O-N 2.62Å
146R98.5Very high98.2Very high74 Ų7446.8 Ų46.828%0.27925%0.253SS..Hα-helixtrans-64.7-39.7174.6-176.6175.8-70.5163.3-8.3112.7P50 K142 T144 A149 H150 V157P50-R146 HydrophobicContact CB-CB 4.31Å; P50-R146 WeakPolarHBondContact O-CA 3.13Å; K142-R146 VanDerWaalsContact O-CB 3.25Å; K142-R146 WeakPolarHBondContact O-CB 3.37Å; K142-R146 PolarHBondContact O-N 2.8Å; T144-R146 VanDerWaalsContact C-N 3.34Å; T144-R146 PolarHBondContact O-N 3.09Å; R146-A149 PolarHBondContact O-N 3.24Å; R146-H150 PolarHBondContact O-N 3.5Å; R146-V157 WeakPolarHBondContact CD-O 3.34Å; R146-V157 WeakPolarHBondContact CG-O 3.19Å
147L98.6Very high97.8Very high1 Ų144.5 Ų44.51%0.00525%0.248CC..Hα-helixtrans-61.1-47.2171.6173.678.9000111.6Q143 T144 A149 H150 V151 I166 W188Q143-L147 WeakPolarHBondContact O-CB 3.36Å; Q143-L147 PolarHBondContact O-N 3.35Å; T144-L147 WeakPolarHBondContact O-CB 3.28Å; T144-L147 PolarHBondContact O-N 3.09Å; L147-A149 VanDerWaalsContact C-N 3.29Å; L147-A149 PolarHBondContact O-N 3.44Å; L147-H150 WeakPolarHBondContact O-CB 3.38Å; L147-H150 PolarHBondContact O-N 3.29Å; L147-H150 VanDerWaalsContact O-N 3.14Å; L147-V151 HydrophobicContact CD1-CG2 4.01Å; L147-V151 HydrophobicContact CG-CG2 4.29Å; L147-V151 WeakPolarHBondContact O-CG2 3.5Å; L147-V151 PolarHBondContact O-N 3.49Å; L147-I166 HydrophobicContact CD1-CD1 3.81Å; L147-I166 HydrophobicContact CD2-CD1 3.58Å; L147-I166 HydrophobicContact CG-CD1 4.26Å; L147-W188 HydrophobicContact CD2-CH2 3.13Å; L147-W188 HydrophobicContact CD2-CZ2 3.43Å; L147-W188 VanDerWaalsContact CD2-CZ2 3.43Å; L147-W188 HydrophobicContact CD2-CZ3 4.27Å
148W98.8Very high97.6Very high1 Ų142 Ų420%0.00424%0.236CC..Hα-helixtrans-61.7-39.6177.9-8358.5000111.4K78 I79 W80 T144 A145 H150 V151 Y152 I180 V181 S184K78-W148 HydrophobicContact CB-CE3 4.04Å; K78-W148 HydrophobicContact CB-CZ3 3.85Å; K78-W148 HydrophobicContact CD-CZ3 4.45Å; I79-W148 VanDerWaalsContact C-CE3 3.45Å; W80-W148 HydrophobicContact CB-CB 4.02Å; W80-W148 HydrophobicContact CB-CD2 3.85Å; W80-W148 HydrophobicContact CB-CE3 4.22Å; W80-W148 HydrophobicContact CB-CG 3.76Å; W80-W148 HydrophobicContact CD2-CZ2 4.41Å; W80-W148 HydrophobicContact CE3-CD2 4.08Å; W80-W148 AromaticContact CE3-CE2 3.51Å; W80-W148 HydrophobicContact CE3-CE3 4.42Å; W80-W148 AromaticContact CE3-CH2 3.77Å; W80-W148 HydrophobicContact CE3-CH2 3.77Å; W80-W148 AromaticContact CE3-CZ2 3.35Å; W80-W148 HydrophobicContact CE3-CZ2 3.35Å; W80-W148 HydrophobicContact CE3-CZ3 4.26Å; W80-W148 AromaticContact CE3-NE1 3.93Å; W80-W148 HydrophobicContact CZ3-CH2 4.07Å; W80-W148 AromaticContact CZ3-CZ2 3.61Å; W80-W148 HydrophobicContact CZ3-CZ2 3.61Å; T144-W148 PolarHBondContact O-N 3.04Å; A145-W148 PolarHBondContact O-N 3.17Å; W148-H150 VanDerWaalsContact C-N 3.34Å; W148-H150 PolarHBondContact O-N 3.32Å; W148-V151 PolarHBondContact O-N 3.23Å; W148-Y152 HydrophobicContact CB-CD2 4.05Å; W148-Y152 HydrophobicContact CB-CE2 4.43Å; W148-Y152 AromaticContact CD2-CD2 3.91Å; W148-Y152 HydrophobicContact CD2-CD2 3.91Å; W148-Y152 AromaticContact CD2-CE2 3.6Å; W148-Y152 HydrophobicContact CD2-CE2 3.6Å; W148-Y152 AromaticContact CE3-CD2 3.7Å; W148-Y152 HydrophobicContact CE3-CD2 3.7Å; W148-Y152 AromaticContact CE3-CE2 3.6Å; W148-Y152 HydrophobicContact CE3-CE2 3.6Å; W148-Y152 HydrophobicContact CG-CD2 4.08Å; W148-Y152 AromaticContact CG-CE2 3.98Å; W148-Y152 HydrophobicContact CG-CE2 3.98Å; W148-Y152 HydrophobicContact CZ3-CD2 4.46Å; W148-Y152 HydrophobicContact CZ3-CE2 4.12Å; W148-Y152 WeakPolarHBondContact O-CB 3.46Å; W148-Y152 WeakPolarHBondContact O-CD2 3.29Å; W148-Y152 PolarHBondContact O-N 2.86Å; W148-I180 HydrophobicContact CZ2-CG2 4.2Å; W148-V181 HydrophobicContact CH2-CG2 4.09Å; W148-V181 HydrophobicContact CZ2-CG2 4.06Å; W148-S184 PolarHBondContact NE1-OG 3.17Å
149A98.8Very high97.4Very high0 Ų038.8 Ų38.80%022%0.216CC..Hα-helixtrans-60.6-42173.200000111.9Y56 A145 R146 L147 A153 G154 A155Y56-A149 VanDerWaalsContact OH-CB 3.27Å; Y56-A149 WeakPolarHBondContact OH-CB 3.43Å; A145-A149 WeakPolarHBondContact O-CB 3.47Å; A145-A149 PolarHBondContact O-N 2.62Å; R146-A149 PolarHBondContact O-N 3.24Å; L147-A149 VanDerWaalsContact C-N 3.29Å; L147-A149 PolarHBondContact O-N 3.44Å; A149-A153 CarbonylContact O-C 3.6Å; A149-A153 VanDerWaalsContact O-C 3.27Å; A149-A153 VanDerWaalsContact O-CA 3.26Å; A149-A153 WeakPolarHBondContact O-CA 3.33Å; A149-A153 VanDerWaalsContact O-CB 3.28Å; A149-A153 WeakPolarHBondContact O-CB 3.23Å; A149-A153 PolarHBondContact O-N 3.33Å; A149-G154 PolarHBondContact O-N 3.22Å; A149-A155 HydrophobicContact CB-CB 3.77Å; A149-A155 WeakPolarHBondContact O-CB 3.41Å; A149-A155 PolarHBondContact O-N 2.95Å
150H98.4Very high97.3Very high76 Ų7639.2 Ų39.235%0.35223%0.227SC..Hα-helixtrans-63.7-52.5176.4175.763000112R146 L147 W148 G154 A155 S158R146-H150 PolarHBondContact O-N 3.5Å; L147-H150 WeakPolarHBondContact O-CB 3.38Å; L147-H150 PolarHBondContact O-N 3.29Å; L147-H150 VanDerWaalsContact O-N 3.14Å; W148-H150 VanDerWaalsContact C-N 3.34Å; W148-H150 PolarHBondContact O-N 3.32Å; H150-G154 PolarHBondContact O-N 3.39Å; H150-A155 WeakPolarHBondContact CA-O 3.46Å; H150-A155 PolarHBondContact ND1-O 3.34Å; H150-S158 PolarHBondContact CD2-OG 3.44Å
151V98.2Very high97.2Very high46 Ų4642.8 Ų42.828%0.27924%0.244SC..Hα-helixtrans-71.7-41.2-173.1177.10000112.3L147 W148 I180L147-V151 HydrophobicContact CD1-CG2 4.01Å; L147-V151 HydrophobicContact CG-CG2 4.29Å; L147-V151 WeakPolarHBondContact O-CG2 3.5Å; L147-V151 PolarHBondContact O-N 3.49Å; W148-V151 PolarHBondContact O-N 3.23Å; V151-I180 HydrophobicContact CB-CD1 4.38Å; V151-I180 HydrophobicContact CG1-CD1 3.77Å; V151-I180 HydrophobicContact CG2-CD1 4.16Å
152Y98.5Very high97.2Very high45 Ų4543 Ų4318%0.17624%0.244CC..Hα-helixtrans-105.5-24.5-170.1-57.5-60.2000114T77 K78 W148 N177 I180T77-Y152 VanDerWaalsContact CG2-O 3.28Å; T77-Y152 WeakPolarHBondContact CG2-O 3.21Å; K78-Y152 HydrophobicContact CB-CD1 4.11Å; K78-Y152 HydrophobicContact CB-CD2 3.74Å; K78-Y152 HydrophobicContact CB-CE1 4.49Å; K78-Y152 HydrophobicContact CB-CE2 4.16Å; K78-Y152 HydrophobicContact CB-CG 3.72Å; K78-Y152 HydrophobicContact CD-CD1 4.22Å; K78-Y152 HydrophobicContact CD-CE1 3.89Å; K78-Y152 HydrophobicContact CD-CE2 4.3Å; K78-Y152 WeakPolarHBondContact O-CB 3.14Å; W148-Y152 HydrophobicContact CB-CD2 4.05Å; W148-Y152 HydrophobicContact CB-CE2 4.43Å; W148-Y152 AromaticContact CD2-CD2 3.91Å; W148-Y152 HydrophobicContact CD2-CD2 3.91Å; W148-Y152 AromaticContact CD2-CE2 3.6Å; W148-Y152 HydrophobicContact CD2-CE2 3.6Å; W148-Y152 AromaticContact CE3-CD2 3.7Å; W148-Y152 HydrophobicContact CE3-CD2 3.7Å; W148-Y152 AromaticContact CE3-CE2 3.6Å; W148-Y152 HydrophobicContact CE3-CE2 3.6Å; W148-Y152 HydrophobicContact CG-CD2 4.08Å; W148-Y152 AromaticContact CG-CE2 3.98Å; W148-Y152 HydrophobicContact CG-CE2 3.98Å; W148-Y152 HydrophobicContact CZ3-CD2 4.46Å; W148-Y152 HydrophobicContact CZ3-CE2 4.12Å; W148-Y152 WeakPolarHBondContact O-CB 3.46Å; W148-Y152 WeakPolarHBondContact O-CD2 3.29Å; W148-Y152 PolarHBondContact O-N 2.86Å; Y152-N177 WeakPolarHBondContact CE1-OD1 3.4Å; Y152-N177 PolarHBondContact OH-OD1 2.87Å; Y152-I180 HydrophobicContact CE2-CG2 4.11Å
153A98.6Very high97.1Very high13 Ų1340.5 Ų40.511%0.10724%0.236CC..Hα-helixtrans-116.90.1-173.900000113.7G54 R55 Y56 T77 A149G54-A153 CarbonylContact C-O 3.55Å; G54-A153 WeakPolarHBondContact CA-O 3.39Å; R55-A153 PolarHBondContact N-O 2.75Å; Y56-A153 HydrophobicContact CD1-CB 4.07Å; Y56-A153 HydrophobicContact CE1-CB 3.56Å; Y56-A153 HydrophobicContact CE2-CB 4.19Å; T77-A153 HydrophobicContact CG2-CB 3.94Å; A149-A153 CarbonylContact O-C 3.6Å; A149-A153 VanDerWaalsContact O-C 3.27Å; A149-A153 VanDerWaalsContact O-CA 3.26Å; A149-A153 WeakPolarHBondContact O-CA 3.33Å; A149-A153 VanDerWaalsContact O-CB 3.28Å; A149-A153 WeakPolarHBondContact O-CB 3.23Å; A149-A153 PolarHBondContact O-N 3.33Å
154G98Very high97.1Very high60 Ų6045.2 Ų45.262%0.61926%0.256SS*.  trans76.318.6176.900000115A149 H150A149-G154 PolarHBondContact O-N 3.22Å; H150-G154 PolarHBondContact O-N 3.39Å
155A98.1Very high97.1Very high4 Ų447.5 Ų47.53%0.03327%0.266CS..  trans-64.1151.9173.400000111A149 H150A149-A155 HydrophobicContact CB-CB 3.77Å; A149-A155 WeakPolarHBondContact O-CB 3.41Å; A149-A155 PolarHBondContact O-N 2.95Å; H150-A155 WeakPolarHBondContact CA-O 3.46Å; H150-A155 PolarHBondContact ND1-O 3.34Å
156P95.2Very high97Very high100 Ų10047.5 Ų47.565%0.64927%0.266SS*.SBendtrans-77.2-29.6-165.326.7-34.8000115.6
157V90.2Very high97Very high96 Ų9648.9 Ų48.958%0.58228%0.276SS*.  trans-134.3136.7-166.5-176.40000111.1R146R146-V157 WeakPolarHBondContact CD-O 3.34Å; R146-V157 WeakPolarHBondContact CG-O 3.19Å
158S92.2Very high97Very high15 Ų1553.1 Ų53.111%0.10530%0.299CS..  trans-134.7170.2165.664.90000111.1H150 P160H150-S158 PolarHBondContact CD2-OG 3.44Å; S158-P160 WeakPolarHBondContact O-CD 3.38Å
159S94Very high96.9Very high18 Ų1853.2 Ų53.213%0.12630%0.299CS..  trans-62.4123.9177.6172.40000111.7E161 Y162 T163S159-E161 PolarHBondContact O-N 2.93Å; S159-E161 PolarHBondContact OG-N 3.46Å; S159-Y162 PolarHBondContact O-N 3.32Å; S159-T163 PolarHBondContact O-N 3.06Å; S159-T163 VanDerWaalsContact O-N 3.09Å; S159-T163 PolarHBondContact O-OG1 2.97Å
160P96.1Very high96.9Very high110 Ų11054.8 Ų54.871%0.71431%0.31SS*.Hα-helixtrans-60.4-31174.1-23.934.1000113.2S158 K164S158-P160 WeakPolarHBondContact O-CD 3.38Å; P160-K164 WeakPolarHBondContact O-CB 3.49Å; P160-K164 PolarHBondContact O-N 3.19Å
161E97Very high96.8Very high105 Ų10555.6 Ų55.649%0.49133%0.329SS..Hα-helixtrans-63.2-46.1176.7-172.1-155.9139.800111S159 K164 K165S159-E161 PolarHBondContact O-N 2.93Å; S159-E161 PolarHBondContact OG-N 3.46Å; E161-K164 PolarHBondContact O-N 3Å; E161-K165 PolarHBondContact O-N 3.49Å; E161-K165 VanDerWaalsContact O-N 3.09Å; E161-K165 WeakPolarHBondContact OE1-CE 3.37Å; E161-K165 IonicContact OE1-NZ 2.84Å; E161-K165 PolarHBondContact OE1-NZ 3.28Å
162Y97.9Very high96.7Very high17 Ų1759 Ų597%0.06734%0.344CS..Hα-helixtrans-68.2-41.2-179.2-72.59.7000110.4Q143 S159 K164 K165 I166 W188Q143-Y162 HydrophobicContact CB-CD2 4.23Å; Q143-Y162 HydrophobicContact CB-CE2 3.54Å; S159-Y162 PolarHBondContact O-N 3.32Å; Y162-K164 VanDerWaalsContact C-N 3.31Å; Y162-K164 PolarHBondContact O-N 2.96Å; Y162-K165 PolarHBondContact O-N 3.24Å; Y162-I166 WeakPolarHBondContact O-CD1 3.45Å; Y162-I166 VanDerWaalsContact O-CG1 3.27Å; Y162-I166 WeakPolarHBondContact O-CG1 3.4Å; Y162-I166 PolarHBondContact O-N 2.79Å; Y162-W188 AromaticContact CD1-CD2 3.81Å; Y162-W188 HydrophobicContact CD1-CD2 3.81Å; Y162-W188 AromaticContact CD1-CE3 3.79Å; Y162-W188 HydrophobicContact CD1-CE3 3.79Å; Y162-W188 HydrophobicContact CD1-CG 4.22Å; Y162-W188 HydrophobicContact CD1-CZ3 4.32Å; Y162-W188 AromaticContact CD2-CD2 3.7Å; Y162-W188 HydrophobicContact CD2-CD2 3.7Å; Y162-W188 AromaticContact CD2-CE2 3.3Å; Y162-W188 HydrophobicContact CD2-CE3 4.05Å; Y162-W188 HydrophobicContact CD2-CG 4.41Å; Y162-W188 AromaticContact CD2-CH2 3.85Å; Y162-W188 HydrophobicContact CD2-CH2 3.85Å; Y162-W188 AromaticContact CD2-CZ2 3.4Å; Y162-W188 HydrophobicContact CD2-CZ2 3.4Å; Y162-W188 HydrophobicContact CD2-CZ3 4.11Å; Y162-W188 AromaticContact CD2-NE1 3.74Å; Y162-W188 HydrophobicContact CE1-CB 4.26Å; Y162-W188 AromaticContact CE1-CD2 3.86Å; Y162-W188 HydrophobicContact CE1-CD2 3.86Å; Y162-W188 HydrophobicContact CE1-CE3 4.28Å; Y162-W188 AromaticContact CE1-CG 3.8Å; Y162-W188 HydrophobicContact CE1-CG 3.8Å; Y162-W188 AromaticContact CE2-CD1 3.67Å; Y162-W188 AromaticContact CE2-CD2 3.73Å; Y162-W188 HydrophobicContact CE2-CD2 3.73Å; Y162-W188 AromaticContact CE2-CE2 3.31Å; Y162-W188 HydrophobicContact CE2-CE3 4.5Å; Y162-W188 AromaticContact CE2-CG 3.99Å; Y162-W188 HydrophobicContact CE2-CG 3.99Å; Y162-W188 AromaticContact CE2-CZ2 3.85Å; Y162-W188 HydrophobicContact CE2-CZ2 3.85Å; Y162-W188 AromaticContact CE2-NE1 3.2Å; Y162-W188 AromaticContact CG-CD2 3.73Å; Y162-W188 HydrophobicContact CG-CD2 3.73Å; Y162-W188 AromaticContact CG-CE2 3.82Å; Y162-W188 AromaticContact CG-CE3 3.66Å; Y162-W188 HydrophobicContact CG-CE3 3.66Å; Y162-W188 AromaticContact CG-CH2 3.95Å; Y162-W188 HydrophobicContact CG-CH2 3.95Å; Y162-W188 AromaticContact CG-CZ2 3.94Å; Y162-W188 HydrophobicContact CG-CZ2 3.94Å; Y162-W188 AromaticContact CG-CZ3 3.76Å; Y162-W188 HydrophobicContact CG-CZ3 3.76Å; Y162-W188 AromaticContact CZ-CD1 3.51Å; Y162-W188 AromaticContact CZ-CD2 3.81Å; Y162-W188 AromaticContact CZ-CE2 3.85Å; Y162-W188 AromaticContact CZ-CG 3.66Å; Y162-W188 AromaticContact CZ-NE1 3.59Å
163T96.8Very high96.6Very high33 Ų3360.1 Ų60.120%0.20237%0.369CS..Hα-helixtrans-56.1-45.4173.3-57.60000111.5S159 K165 I166 E167S159-T163 PolarHBondContact O-N 3.06Å; S159-T163 VanDerWaalsContact O-N 3.09Å; S159-T163 PolarHBondContact O-OG1 2.97Å; T163-K165 PolarHBondContact O-N 3.46Å; T163-I166 WeakPolarHBondContact O-CB 3.37Å; T163-I166 PolarHBondContact O-N 2.87Å; T163-E167 HydrophobicContact CG2-CG 4.46Å; T163-E167 WeakPolarHBondContact O-CG 3.24Å; T163-E167 PolarHBondContact O-N 2.94Å
164K97.8Very high96.6Very high135 Ų13561.6 Ų61.659%0.58737%0.373SS*.Hα-helixtrans-61.4-43.4177.2-174.1179.2-179.1-179.40112.6P160 E161 Y162 I166 E167 N168P160-K164 WeakPolarHBondContact O-CB 3.49Å; P160-K164 PolarHBondContact O-N 3.19Å; E161-K164 PolarHBondContact O-N 3Å; Y162-K164 VanDerWaalsContact C-N 3.31Å; Y162-K164 PolarHBondContact O-N 2.96Å; K164-I166 VanDerWaalsContact C-N 3.32Å; K164-I166 PolarHBondContact O-N 3.01Å; K164-E167 PolarHBondContact O-N 2.94Å; K164-N168 PolarHBondContact O-N 2.78Å; K164-N168 PolarHBondContact O-OD1 2.86Å
165K98.2Very high96.6Very high48 Ų4863.2 Ų63.221%0.20937%0.367CS..Hα-helixtrans-61-41.5176.6-72.3178.9176175.50111.7E161 Y162 T163 L169 L183 W188 V190E161-K165 PolarHBondContact O-N 3.49Å; E161-K165 VanDerWaalsContact O-N 3.09Å; E161-K165 WeakPolarHBondContact OE1-CE 3.37Å; E161-K165 IonicContact OE1-NZ 2.84Å; E161-K165 PolarHBondContact OE1-NZ 3.28Å; Y162-K165 PolarHBondContact O-N 3.24Å; T163-K165 PolarHBondContact O-N 3.46Å; K165-L169 PolarHBondContact O-N 3.34Å; K165-L183 HydrophobicContact CB-CD1 4.08Å; K165-W188 HydrophobicContact CB-CE3 4.45Å; K165-W188 HydrophobicContact CD-CE3 4.13Å; K165-W188 PolarHBondContact NZ-O 3.21Å; K165-V190 HydrophobicContact CD-CG2 4.15Å; K165-V190 HydrophobicContact CG-CG2 4.18Å
166I98.2Very high96.5Very high1 Ų168.3 Ų68.31%0.00539%0.386CS..Hα-helixtrans-63.3-48.6176.6-64.1156.3000110.5L147 Y162 T163 K164 N168 L169 C170 R176 V179 I180 L183 W188L147-I166 HydrophobicContact CD1-CD1 3.81Å; L147-I166 HydrophobicContact CD2-CD1 3.58Å; L147-I166 HydrophobicContact CG-CD1 4.26Å; Y162-I166 WeakPolarHBondContact O-CD1 3.45Å; Y162-I166 VanDerWaalsContact O-CG1 3.27Å; Y162-I166 WeakPolarHBondContact O-CG1 3.4Å; Y162-I166 PolarHBondContact O-N 2.79Å; T163-I166 WeakPolarHBondContact O-CB 3.37Å; T163-I166 PolarHBondContact O-N 2.87Å; K164-I166 VanDerWaalsContact C-N 3.32Å; K164-I166 PolarHBondContact O-N 3.01Å; I166-N168 VanDerWaalsContact C-N 3.32Å; I166-N168 PolarHBondContact O-N 2.83Å; I166-L169 PolarHBondContact O-N 2.84Å; I166-C170 WeakPolarHBondContact O-CB 3.45Å; I166-C170 PolarHBondContact O-N 2.81Å; I166-C170 PolarHBondContact O-SG 2.93Å; I166-R176 HydrophobicContact CG2-CG 4.25Å; I166-V179 HydrophobicContact CB-CG1 4.23Å; I166-V179 HydrophobicContact CG1-CG1 4.38Å; I166-V179 HydrophobicContact CG2-CG1 3.97Å; I166-I180 HydrophobicContact CD1-CG1 3.96Å; I166-I180 HydrophobicContact CG1-CG1 4.11Å; I166-I180 HydrophobicContact CG2-CG1 4.14Å; I166-L183 HydrophobicContact CG1-CD1 3.86Å; I166-W188 HydrophobicContact CD1-CH2 4.01Å; I166-W188 HydrophobicContact CD1-CZ3 4.2Å; I166-W188 HydrophobicContact CG1-CH2 4.2Å; I166-W188 HydrophobicContact CG1-CZ3 4.02Å
167E97.9Very high96.6Very high102 Ų10266.7 Ų66.748%0.47737%0.371SS..Hα-helixtrans-60.3-41.2-179.6-74.1176.1172.800112.1T163 K164 L169 C170 A171T163-E167 HydrophobicContact CG2-CG 4.46Å; T163-E167 WeakPolarHBondContact O-CG 3.24Å; T163-E167 PolarHBondContact O-N 2.94Å; K164-E167 PolarHBondContact O-N 2.94Å; E167-L169 PolarHBondContact O-N 3.23Å; E167-C170 PolarHBondContact O-N 2.74Å; E167-A171 WeakPolarHBondContact O-CB 3.37Å; E167-A171 PolarHBondContact O-N 3.16Å
168N97.6Very high96.9Very high91 Ų9163.7 Ų63.749%0.48736%0.357SS..Hα-helixtrans-59.8-47.3176.6-72-6000112.2K164 I166 A171 M172K164-N168 PolarHBondContact O-N 2.78Å; K164-N168 PolarHBondContact O-OD1 2.86Å; I166-N168 VanDerWaalsContact C-N 3.32Å; I166-N168 PolarHBondContact O-N 2.83Å; N168-A171 PolarHBondContact O-N 3.41Å; N168-M172 PolarHBondContact O-N 2.97Å
169L97.8Very high97.2Very high3 Ų363 Ų632%0.01635%0.352CS..Hα-helixtrans-72-34.5178.8-66.3-174.8000112.2K165 I166 E167 A171 M172 F174 V179 L183 V190 A193 T194 L197K165-L169 PolarHBondContact O-N 3.34Å; I166-L169 PolarHBondContact O-N 2.84Å; E167-L169 PolarHBondContact O-N 3.23Å; L169-A171 VanDerWaalsContact C-N 3.29Å; L169-A171 PolarHBondContact O-N 3.3Å; L169-M172 HydrophobicContact CD2-SD 3.72Å; L169-M172 WeakPolarHBondContact O-CB 3.45Å; L169-M172 PolarHBondContact O-N 2.93Å; L169-M172 VanDerWaalsContact O-N 3.16Å; L169-F174 HydrophobicContact CB-CD2 4.47Å; L169-F174 WeakPolarHBondContact O-CD2 3.4Å; L169-V179 HydrophobicContact CB-CB 4.44Å; L169-V179 HydrophobicContact CB-CG1 3.74Å; L169-V179 HydrophobicContact CB-CG2 3.78Å; L169-V179 HydrophobicContact CD1-CG1 4.14Å; L169-L183 HydrophobicContact CD1-CD1 3.96Å; L169-L183 HydrophobicContact CD1-CD2 3.88Å; L169-L183 HydrophobicContact CD1-CG 3.86Å; L169-V190 HydrophobicContact CD2-CG1 4.08Å; L169-A193 HydrophobicContact CD1-CB 4.44Å; L169-T194 WeakPolarHBondContact CD2-OG1 3.12Å; L169-L197 HydrophobicContact CD1-CD1 3.95Å
170C97.7Very high97.4Very high33 Ų3362.1 Ų62.122%0.22335%0.346CS..Hα-helixtrans-63.2-37.2172.4-66.60000111.6I166 E167 M172 G173I166-C170 WeakPolarHBondContact O-CB 3.45Å; I166-C170 PolarHBondContact O-N 2.81Å; I166-C170 PolarHBondContact O-SG 2.93Å; E167-C170 PolarHBondContact O-N 2.74Å; C170-M172 PolarHBondContact O-N 3.32Å; C170-G173 PolarHBondContact O-N 3.02Å
171A97.5Very high97.5Very high92 Ų9259 Ų5976%0.7633%0.325SS*.Hα-helixtrans-65.4-20.2176.600000113.1E167 N168 L169 G173E167-A171 WeakPolarHBondContact O-CB 3.37Å; E167-A171 PolarHBondContact O-N 3.16Å; N168-A171 PolarHBondContact O-N 3.41Å; L169-A171 VanDerWaalsContact C-N 3.29Å; L169-A171 PolarHBondContact O-N 3.3Å; A171-G173 PolarHBondContact O-N 2.93Å
172M96Very high97.5Very high119 Ų11954.1 Ų54.159%0.58630%0.302SS*.THydrogen-bonded Turntrans-80.1-2.6171.4-62.2168.66300113.1N168 L169 C170 F174 T194N168-M172 PolarHBondContact O-N 2.97Å; L169-M172 HydrophobicContact CD2-SD 3.72Å; L169-M172 WeakPolarHBondContact O-CB 3.45Å; L169-M172 PolarHBondContact O-N 2.93Å; L169-M172 VanDerWaalsContact O-N 3.16Å; C170-M172 PolarHBondContact O-N 3.32Å; M172-F174 HydrophobicContact CB-CD2 4.08Å; M172-F174 HydrophobicContact CB-CE2 4.1Å; M172-F174 HydrophobicContact CE-CE2 4.02Å; M172-T194 HydrophobicContact CE-CG2 4.19Å
173G96.7Very high97.5Very high68 Ų6853.3 Ų53.370%0.70130%0.299SS*.THydrogen-bonded Turntrans98.42.2176.300000115.1C170 A171C170-G173 PolarHBondContact O-N 3.02Å; A171-G173 PolarHBondContact O-N 2.93Å
174F97.7Very high97.6Very high43 Ų4351.7 Ų51.719%0.18929%0.289CS..  trans-73.7145.4175.9-61.9-62.7000112L169 M172 V179 T194 L197 L198L169-F174 HydrophobicContact CB-CD2 4.47Å; L169-F174 WeakPolarHBondContact O-CD2 3.4Å; M172-F174 HydrophobicContact CB-CD2 4.08Å; M172-F174 HydrophobicContact CB-CE2 4.1Å; M172-F174 HydrophobicContact CE-CE2 4.02Å; F174-V179 HydrophobicContact CB-CG2 3.49Å; F174-V179 VanDerWaalsContact CB-CG2 3.49Å; F174-V179 HydrophobicContact CG-CG2 4.49Å; F174-T194 HydrophobicContact CE2-CG2 4.33Å; F174-L197 HydrophobicContact CB-CD1 4.26Å; F174-L197 HydrophobicContact CD1-CB 3.87Å; F174-L197 HydrophobicContact CD1-CD1 4.47Å; F174-L197 HydrophobicContact CD2-CB 4.4Å; F174-L197 HydrophobicContact CD2-CD1 3.85Å; F174-L197 HydrophobicContact CE1-CB 3.76Å; F174-L197 HydrophobicContact CE2-CB 4.31Å; F174-L197 HydrophobicContact CE2-CD1 4.29Å; F174-L197 HydrophobicContact CG-CB 4.19Å; F174-L197 HydrophobicContact CG-CD1 3.96Å; F174-L197 HydrophobicContact CG-CG 4.47Å; F174-L197 HydrophobicContact CZ-CB 4Å; F174-L198 HydrophobicContact CE1-CD2 4.12Å; F174-L198 HydrophobicContact CE1-CG 4.5Å; F174-L198 HydrophobicContact CZ-CD2 3.74Å; F174-L198 HydrophobicContact CZ-CG 3.99Å
175D97.6Very high97.6Very high94 Ų9447.1 Ų47.150%0.50327%0.274SS..  trans-59.6136.7173.9169.2-103.5000111.4N177 A178 V179D175-N177 VanDerWaalsContact C-N 3.32Å; D175-N177 PolarHBondContact O-N 3.06Å; D175-N177 WeakPolarHBondContact OD1-CA 3.44Å; D175-N177 VanDerWaalsContact OD1-CB 3.27Å; D175-N177 WeakPolarHBondContact OD1-CB 3.46Å; D175-N177 PolarHBondContact OD1-N 3.18Å; D175-A178 HydrophobicContact CB-CB 4.06Å; D175-A178 PolarHBondContact O-N 3.38Å; D175-A178 PolarHBondContact OD1-N 3.07Å; D175-V179 VanDerWaalsContact O-CG2 3.29Å; D175-V179 WeakPolarHBondContact O-CG2 3.41Å; D175-V179 PolarHBondContact O-N 3.3Å
176R97.3Very high97.5Very high111 Ų11148.9 Ų48.942%0.41928%0.282SS..Hα-helixtrans-61.5-38.8-175-171.2178.6-170.795.5-2.7112.6I166 V179 I180I166-R176 HydrophobicContact CG2-CG 4.25Å; R176-V179 PolarHBondContact O-N 2.83Å; R176-I180 HydrophobicContact CG-CD1 4.17Å; R176-I180 VanDerWaalsContact O-CG1 3.31Å; R176-I180 WeakPolarHBondContact O-CG1 3.41Å; R176-I180 PolarHBondContact O-N 3.4Å
177N96Very high97.4Very high66 Ų6652.1 Ų52.135%0.35331%0.305SS..Hα-helixtrans-70.6-42.8179.4-67.1-37.3000110.7Y152 D175 V179 I180 V181Y152-N177 WeakPolarHBondContact CE1-OD1 3.4Å; Y152-N177 PolarHBondContact OH-OD1 2.87Å; D175-N177 VanDerWaalsContact C-N 3.32Å; D175-N177 PolarHBondContact O-N 3.06Å; D175-N177 WeakPolarHBondContact OD1-CA 3.44Å; D175-N177 VanDerWaalsContact OD1-CB 3.27Å; D175-N177 WeakPolarHBondContact OD1-CB 3.46Å; D175-N177 PolarHBondContact OD1-N 3.18Å; N177-V179 VanDerWaalsContact C-N 3.3Å; N177-V179 PolarHBondContact O-N 3.11Å; N177-I180 PolarHBondContact O-N 2.97Å; N177-V181 WeakPolarHBondContact O-CG2 3.31Å; N177-V181 PolarHBondContact O-N 2.82Å
178A97.2Very high97.4Very high33 Ų3347.5 Ų47.527%0.27328%0.283SS..Hα-helixtrans-58-44.6174.400000111.1D175 V181 A182 L197D175-A178 HydrophobicContact CB-CB 4.06Å; D175-A178 PolarHBondContact O-N 3.38Å; D175-A178 PolarHBondContact OD1-N 3.07Å; A178-V181 PolarHBondContact O-N 2.86Å; A178-A182 WeakPolarHBondContact O-CB 3.29Å; A178-A182 PolarHBondContact O-N 3.33Å; A178-L197 HydrophobicContact CB-CD2 3.78Å
179V98.4Very high97.4Very high0 Ų046.3 Ų46.30%028%0.277CS..Hα-helixtrans-59-48.9176.5166.80000111.9I166 L169 F174 D175 R176 N177 V181 A182 L183 L197I166-V179 HydrophobicContact CB-CG1 4.23Å; I166-V179 HydrophobicContact CG1-CG1 4.38Å; I166-V179 HydrophobicContact CG2-CG1 3.97Å; L169-V179 HydrophobicContact CB-CB 4.44Å; L169-V179 HydrophobicContact CB-CG1 3.74Å; L169-V179 HydrophobicContact CB-CG2 3.78Å; L169-V179 HydrophobicContact CD1-CG1 4.14Å; F174-V179 HydrophobicContact CB-CG2 3.49Å; F174-V179 VanDerWaalsContact CB-CG2 3.49Å; F174-V179 HydrophobicContact CG-CG2 4.49Å; D175-V179 VanDerWaalsContact O-CG2 3.29Å; D175-V179 WeakPolarHBondContact O-CG2 3.41Å; D175-V179 PolarHBondContact O-N 3.3Å; R176-V179 PolarHBondContact O-N 2.83Å; N177-V179 VanDerWaalsContact C-N 3.3Å; N177-V179 PolarHBondContact O-N 3.11Å; V179-V181 VanDerWaalsContact C-N 3.33Å; V179-V181 PolarHBondContact O-N 2.84Å; V179-A182 PolarHBondContact O-N 3.08Å; V179-L183 HydrophobicContact CG1-CD1 3.74Å; V179-L183 HydrophobicContact CG1-CG 4.46Å; V179-L183 WeakPolarHBondContact O-CB 3.4Å; V179-L183 WeakPolarHBondContact O-CG 3.33Å; V179-L183 PolarHBondContact O-N 2.8Å; V179-L197 HydrophobicContact CG2-CD1 3.87Å; V179-L197 HydrophobicContact CG2-CD2 4.47Å
180I98.1Very high97.4Very high0 Ų049 Ų490%029%0.293CS..Hα-helixtrans-60.7-44.8-180-71.4167.2000110.7W148 V151 Y152 I166 R176 N177 S184W148-I180 HydrophobicContact CZ2-CG2 4.2Å; V151-I180 HydrophobicContact CB-CD1 4.38Å; V151-I180 HydrophobicContact CG1-CD1 3.77Å; V151-I180 HydrophobicContact CG2-CD1 4.16Å; Y152-I180 HydrophobicContact CE2-CG2 4.11Å; I166-I180 HydrophobicContact CD1-CG1 3.96Å; I166-I180 HydrophobicContact CG1-CG1 4.11Å; I166-I180 HydrophobicContact CG2-CG1 4.14Å; R176-I180 HydrophobicContact CG-CD1 4.17Å; R176-I180 VanDerWaalsContact O-CG1 3.31Å; R176-I180 WeakPolarHBondContact O-CG1 3.41Å; R176-I180 PolarHBondContact O-N 3.4Å; N177-I180 PolarHBondContact O-N 2.97Å; I180-S184 WeakPolarHBondContact O-CB 3.33Å; I180-S184 PolarHBondContact O-N 3.43Å; I180-S184 PolarHBondContact O-OG 3.32Å
181V97.5Very high97.4Very high45 Ų4554.6 Ų54.627%0.27332%0.316SS..Hα-helixtrans-64.7-45.3178.51730000110.9W148 N177 A178 V179 S184 S185W148-V181 HydrophobicContact CH2-CG2 4.09Å; W148-V181 HydrophobicContact CZ2-CG2 4.06Å; N177-V181 WeakPolarHBondContact O-CG2 3.31Å; N177-V181 PolarHBondContact O-N 2.82Å; A178-V181 PolarHBondContact O-N 2.86Å; V179-V181 VanDerWaalsContact C-N 3.33Å; V179-V181 PolarHBondContact O-N 2.84Å; V181-S184 PolarHBondContact O-N 2.69Å; V181-S185 VanDerWaalsContact O-CB 3.28Å; V181-S185 WeakPolarHBondContact O-CB 3.31Å; V181-S185 PolarHBondContact O-N 2.79Å; V181-S185 PolarHBondContact O-OG 3.42Å
182A97.9Very high97.4Very high2 Ų252.6 Ų52.62%0.01729%0.294CS..Hα-helixtrans-61.8-51.7179.700000111.4A178 V179 S184 S185 K186 A193 L196 L197A178-A182 WeakPolarHBondContact O-CB 3.29Å; A178-A182 PolarHBondContact O-N 3.33Å; V179-A182 PolarHBondContact O-N 3.08Å; A182-S184 PolarHBondContact O-N 3.37Å; A182-S185 PolarHBondContact O-N 2.86Å; A182-S185 PolarHBondContact O-OG 2.77Å; A182-S185 VanDerWaalsContact O-OG 3.06Å; A182-K186 VanDerWaalsContact O-CB 3.28Å; A182-K186 WeakPolarHBondContact O-CB 3.22Å; A182-K186 VanDerWaalsContact O-CG 3.3Å; A182-K186 WeakPolarHBondContact O-CG 3.49Å; A182-K186 PolarHBondContact O-N 3.35Å; A182-A193 HydrophobicContact CB-CB 4.17Å; A182-L196 HydrophobicContact CB-CD2 4.01Å; A182-L197 HydrophobicContact CB-CD1 4.19Å; A182-L197 HydrophobicContact CB-CD2 3.93Å; A182-L197 HydrophobicContact CB-CG 3.74Å
183L98.4Very high97.5Very high0 Ų047 Ų470%027%0.267CS..Hα-helixtrans-60.8-44.4177.1-74.6169.5000112.2K165 I166 L169 V179 S185 K186 S187 W188 V190 A193K165-L183 HydrophobicContact CB-CD1 4.08Å; I166-L183 HydrophobicContact CG1-CD1 3.86Å; L169-L183 HydrophobicContact CD1-CD1 3.96Å; L169-L183 HydrophobicContact CD1-CD2 3.88Å; L169-L183 HydrophobicContact CD1-CG 3.86Å; V179-L183 HydrophobicContact CG1-CD1 3.74Å; V179-L183 HydrophobicContact CG1-CG 4.46Å; V179-L183 WeakPolarHBondContact O-CB 3.4Å; V179-L183 WeakPolarHBondContact O-CG 3.33Å; V179-L183 PolarHBondContact O-N 2.8Å; L183-S185 PolarHBondContact O-N 2.92Å; L183-K186 CarbonylContact O-C 3.21Å; L183-K186 PolarHBondContact O-N 2.87Å; L183-S187 PolarHBondContact O-N 2.84Å; L183-W188 HydrophobicContact CB-CD2 4.28Å; L183-W188 HydrophobicContact CB-CE3 3.82Å; L183-W188 HydrophobicContact CB-CH2 4.1Å; L183-W188 HydrophobicContact CB-CZ3 3.74Å; L183-W188 HydrophobicContact CD1-CE3 4.19Å; L183-W188 HydrophobicContact CD1-CZ3 3.75Å; L183-W188 HydrophobicContact CD2-CE3 4.43Å; L183-W188 HydrophobicContact CG-CE3 4.39Å; L183-W188 HydrophobicContact CG-CZ3 4.3Å; L183-W188 WeakPolarHBondContact O-CA 3.48Å; L183-W188 PolarHBondContact O-N 2.87Å; L183-V190 HydrophobicContact CD2-CG2 4.44Å; L183-A193 HydrophobicContact CD2-CB 3.71Å; L183-A193 HydrophobicContact CG-CB 4.11Å
184S98.2Very high97.5Very high0 Ų044.9 Ų44.90%024%0.24CC..Hα-helixtrans-64.5-40.8-178.8-57.10000112Q133 T144 W148 I180 V181 A182Q133-S184 PolarHBondContact NE2-O 3.04Å; Q133-S184 VanDerWaalsContact NE2-O 3.13Å; T144-S184 WeakPolarHBondContact CG2-OG 3.43Å; W148-S184 PolarHBondContact NE1-OG 3.17Å; I180-S184 WeakPolarHBondContact O-CB 3.33Å; I180-S184 PolarHBondContact O-N 3.43Å; I180-S184 PolarHBondContact O-OG 3.32Å; V181-S184 PolarHBondContact O-N 2.69Å; A182-S184 PolarHBondContact O-N 3.37Å
185S96.9Very high97.5Very high39 Ų3949.1 Ų49.127%0.27326%0.261SS..Hα-helixtrans-77.8-21-179.763.40000113.9V181 A182 L183V181-S185 VanDerWaalsContact O-CB 3.28Å; V181-S185 WeakPolarHBondContact O-CB 3.31Å; V181-S185 PolarHBondContact O-N 2.79Å; V181-S185 PolarHBondContact O-OG 3.42Å; A182-S185 PolarHBondContact O-N 2.86Å; A182-S185 PolarHBondContact O-OG 2.77Å; A182-S185 VanDerWaalsContact O-OG 3.06Å; L183-S185 PolarHBondContact O-N 2.92Å
186K97.4Very high97.5Very high84 Ų8447.2 Ų47.237%0.36525%0.25SS..THydrogen-bonded Turntrans-104.830.1177.7-60.9-62.5-178.8175.40112.8A182 L183 W188 D189 A193 L196A182-K186 VanDerWaalsContact O-CB 3.28Å; A182-K186 WeakPolarHBondContact O-CB 3.22Å; A182-K186 VanDerWaalsContact O-CG 3.3Å; A182-K186 WeakPolarHBondContact O-CG 3.49Å; A182-K186 PolarHBondContact O-N 3.35Å; L183-K186 CarbonylContact O-C 3.21Å; L183-K186 PolarHBondContact O-N 2.87Å; K186-W188 PolarHBondContact O-N 2.89Å; K186-D189 VanDerWaalsContact O-CB 3.31Å; K186-D189 WeakPolarHBondContact O-CB 3.38Å; K186-D189 PolarHBondContact O-N 3.25Å; K186-A193 HydrophobicContact CB-CB 4.25Å; K186-A193 HydrophobicContact CG-CB 4.49Å; K186-L196 HydrophobicContact CG-CD2 4.28Å
187S96.3Very high97.5Very high70 Ų7042.3 Ų42.349%0.4923%0.232SC..THydrogen-bonded Turntrans53.234.1174.2-59.30000114.1M140 L183 D189M140-S187 VanDerWaalsContact CE-O 3.25Å; M140-S187 WeakPolarHBondContact CE-O 3.44Å; L183-S187 PolarHBondContact O-N 2.84Å; S187-D189 PolarHBondContact O-N 3.24Å
188W97.8Very high97.5Very high5 Ų544.9 Ų44.92%0.01925%0.245CC..THydrogen-bonded Turntrans60.421.6-178.5-63.688.8000115.2T144 L147 Y162 K165 I166 L183 K186T144-W188 HydrophobicContact CG2-CZ2 4.21Å; T144-W188 PolarHBondContact OG1-NE1 3Å; L147-W188 HydrophobicContact CD2-CH2 3.13Å; L147-W188 HydrophobicContact CD2-CZ2 3.43Å; L147-W188 VanDerWaalsContact CD2-CZ2 3.43Å; L147-W188 HydrophobicContact CD2-CZ3 4.27Å; Y162-W188 AromaticContact CD1-CD2 3.81Å; Y162-W188 HydrophobicContact CD1-CD2 3.81Å; Y162-W188 AromaticContact CD1-CE3 3.79Å; Y162-W188 HydrophobicContact CD1-CE3 3.79Å; Y162-W188 HydrophobicContact CD1-CG 4.22Å; Y162-W188 HydrophobicContact CD1-CZ3 4.32Å; Y162-W188 AromaticContact CD2-CD2 3.7Å; Y162-W188 HydrophobicContact CD2-CD2 3.7Å; Y162-W188 AromaticContact CD2-CE2 3.3Å; Y162-W188 HydrophobicContact CD2-CE3 4.05Å; Y162-W188 HydrophobicContact CD2-CG 4.41Å; Y162-W188 AromaticContact CD2-CH2 3.85Å; Y162-W188 HydrophobicContact CD2-CH2 3.85Å; Y162-W188 AromaticContact CD2-CZ2 3.4Å; Y162-W188 HydrophobicContact CD2-CZ2 3.4Å; Y162-W188 HydrophobicContact CD2-CZ3 4.11Å; Y162-W188 AromaticContact CD2-NE1 3.74Å; Y162-W188 HydrophobicContact CE1-CB 4.26Å; Y162-W188 AromaticContact CE1-CD2 3.86Å; Y162-W188 HydrophobicContact CE1-CD2 3.86Å; Y162-W188 HydrophobicContact CE1-CE3 4.28Å; Y162-W188 AromaticContact CE1-CG 3.8Å; Y162-W188 HydrophobicContact CE1-CG 3.8Å; Y162-W188 AromaticContact CE2-CD1 3.67Å; Y162-W188 AromaticContact CE2-CD2 3.73Å; Y162-W188 HydrophobicContact CE2-CD2 3.73Å; Y162-W188 AromaticContact CE2-CE2 3.31Å; Y162-W188 HydrophobicContact CE2-CE3 4.5Å; Y162-W188 AromaticContact CE2-CG 3.99Å; Y162-W188 HydrophobicContact CE2-CG 3.99Å; Y162-W188 AromaticContact CE2-CZ2 3.85Å; Y162-W188 HydrophobicContact CE2-CZ2 3.85Å; Y162-W188 AromaticContact CE2-NE1 3.2Å; Y162-W188 AromaticContact CG-CD2 3.73Å; Y162-W188 HydrophobicContact CG-CD2 3.73Å; Y162-W188 AromaticContact CG-CE2 3.82Å; Y162-W188 AromaticContact CG-CE3 3.66Å; Y162-W188 HydrophobicContact CG-CE3 3.66Å; Y162-W188 AromaticContact CG-CH2 3.95Å; Y162-W188 HydrophobicContact CG-CH2 3.95Å; Y162-W188 AromaticContact CG-CZ2 3.94Å; Y162-W188 HydrophobicContact CG-CZ2 3.94Å; Y162-W188 AromaticContact CG-CZ3 3.76Å; Y162-W188 HydrophobicContact CG-CZ3 3.76Å; Y162-W188 AromaticContact CZ-CD1 3.51Å; Y162-W188 AromaticContact CZ-CD2 3.81Å; Y162-W188 AromaticContact CZ-CE2 3.85Å; Y162-W188 AromaticContact CZ-CG 3.66Å; Y162-W188 AromaticContact CZ-NE1 3.59Å; K165-W188 HydrophobicContact CB-CE3 4.45Å; K165-W188 HydrophobicContact CD-CE3 4.13Å; K165-W188 PolarHBondContact NZ-O 3.21Å; I166-W188 HydrophobicContact CD1-CH2 4.01Å; I166-W188 HydrophobicContact CD1-CZ3 4.2Å; I166-W188 HydrophobicContact CG1-CH2 4.2Å; I166-W188 HydrophobicContact CG1-CZ3 4.02Å; L183-W188 HydrophobicContact CB-CD2 4.28Å; L183-W188 HydrophobicContact CB-CE3 3.82Å; L183-W188 HydrophobicContact CB-CH2 4.1Å; L183-W188 HydrophobicContact CB-CZ3 3.74Å; L183-W188 HydrophobicContact CD1-CE3 4.19Å; L183-W188 HydrophobicContact CD1-CZ3 3.75Å; L183-W188 HydrophobicContact CD2-CE3 4.43Å; L183-W188 HydrophobicContact CG-CE3 4.39Å; L183-W188 HydrophobicContact CG-CZ3 4.3Å; L183-W188 WeakPolarHBondContact O-CA 3.48Å; L183-W188 PolarHBondContact O-N 2.87Å; K186-W188 PolarHBondContact O-N 2.89Å
189D97.5Very high97.3Very high66 Ų6647.5 Ų47.535%0.35326%0.262SS..  trans-80.7121.8169.5179.6-103.3000110.2K186 S187 E191 T192 A193K186-D189 VanDerWaalsContact O-CB 3.31Å; K186-D189 WeakPolarHBondContact O-CB 3.38Å; K186-D189 PolarHBondContact O-N 3.25Å; S187-D189 PolarHBondContact O-N 3.24Å; D189-E191 PolarHBondContact OD1-N 3.01Å; D189-T192 WeakPolarHBondContact CB-OG1 3.41Å; D189-T192 VanDerWaalsContact OD1-CB 3.3Å; D189-T192 WeakPolarHBondContact OD1-CB 3.48Å; D189-T192 VanDerWaalsContact OD1-CG2 3.29Å; D189-T192 WeakPolarHBondContact OD1-CG2 2.91Å; D189-T192 PolarHBondContact OD1-N 3.46Å; D189-T192 PolarHBondContact OD1-OG1 3.49Å; D189-A193 WeakPolarHBondContact O-CB 3.39Å; D189-A193 PolarHBondContact O-N 2.83Å
190V97.4Very high96.4Very high59 Ų5955.7 Ų55.736%0.35831%0.306SS..Hα-helixtrans-75.2-35.8-171.2177.80000111.2K165 L169 L183 T194K165-V190 HydrophobicContact CD-CG2 4.15Å; K165-V190 HydrophobicContact CG-CG2 4.18Å; L169-V190 HydrophobicContact CD2-CG1 4.08Å; L183-V190 HydrophobicContact CD2-CG2 4.44Å; V190-T194 VanDerWaalsContact O-CB 3.29Å; V190-T194 WeakPolarHBondContact O-CB 3.33Å; V190-T194 PolarHBondContact O-N 3.24Å; V190-T194 PolarHBondContact O-OG1 3Å
191E97.5Very high96.3Very high150 Ų15058.5 Ų58.570%0.70132%0.321SS*.Hα-helixtrans-66.1-56.5-177.7-65.6-176.1177.800110.4D189 A193 T194 E195D189-E191 PolarHBondContact OD1-N 3.01Å; E191-A193 VanDerWaalsContact C-N 3.32Å; E191-A193 PolarHBondContact O-N 3.23Å; E191-T194 WeakPolarHBondContact O-CB 3.37Å; E191-T194 PolarHBondContact O-N 3.01Å; E191-T194 VanDerWaalsContact O-N 3.07Å; E191-E195 WeakPolarHBondContact O-CG 3.46Å; E191-E195 PolarHBondContact O-N 2.89Å
192T97.4Very high96.3Very high51 Ų5159.2 Ų59.231%0.31332%0.323SS..Hα-helixtrans-68.6-28.6-179.358.40000113.2D189 L196D189-T192 WeakPolarHBondContact CB-OG1 3.41Å; D189-T192 VanDerWaalsContact OD1-CB 3.3Å; D189-T192 WeakPolarHBondContact OD1-CB 3.48Å; D189-T192 VanDerWaalsContact OD1-CG2 3.29Å; D189-T192 WeakPolarHBondContact OD1-CG2 2.91Å; D189-T192 PolarHBondContact OD1-N 3.46Å; D189-T192 PolarHBondContact OD1-OG1 3.49Å; T192-L196 WeakPolarHBondContact O-CB 3.41Å; T192-L196 PolarHBondContact O-N 3.35Å; T192-L196 VanDerWaalsContact O-N 3.09Å
193A97.7Very high96.2Very high0 Ų062.4 Ų62.40%034%0.341CS..Hα-helixtrans-68-39.9170.200000111.8L169 A182 L183 K186 D189 E191 L196 L197L169-A193 HydrophobicContact CD1-CB 4.44Å; A182-A193 HydrophobicContact CB-CB 4.17Å; L183-A193 HydrophobicContact CD2-CB 3.71Å; L183-A193 HydrophobicContact CG-CB 4.11Å; K186-A193 HydrophobicContact CB-CB 4.25Å; K186-A193 HydrophobicContact CG-CB 4.49Å; D189-A193 WeakPolarHBondContact O-CB 3.39Å; D189-A193 PolarHBondContact O-N 2.83Å; E191-A193 VanDerWaalsContact C-N 3.32Å; E191-A193 PolarHBondContact O-N 3.23Å; A193-L196 PolarHBondContact O-N 3.23Å; A193-L197 VanDerWaalsContact O-CG 3.27Å; A193-L197 WeakPolarHBondContact O-CG 3.39Å; A193-L197 PolarHBondContact O-N 2.91Å
194T97.5Very high96Very high25 Ų2566.1 Ų66.115%0.15336%0.361CS..Hα-helixtrans-66.5-43176.7-57.10000110.9L169 M172 F174 V190 E191 L196 L197 L198L169-T194 WeakPolarHBondContact CD2-OG1 3.12Å; M172-T194 HydrophobicContact CE-CG2 4.19Å; F174-T194 HydrophobicContact CE2-CG2 4.33Å; V190-T194 VanDerWaalsContact O-CB 3.29Å; V190-T194 WeakPolarHBondContact O-CB 3.33Å; V190-T194 PolarHBondContact O-N 3.24Å; V190-T194 PolarHBondContact O-OG1 3Å; E191-T194 WeakPolarHBondContact O-CB 3.37Å; E191-T194 PolarHBondContact O-N 3.01Å; E191-T194 VanDerWaalsContact O-N 3.07Å; T194-L196 VanDerWaalsContact C-N 3.32Å; T194-L196 PolarHBondContact O-N 3.07Å; T194-L197 PolarHBondContact O-N 3.43Å; T194-L197 VanDerWaalsContact O-N 3.16Å; T194-L198 HydrophobicContact CG2-CD1 3.97Å; T194-L198 HydrophobicContact CG2-CG 4.34Å; T194-L198 WeakPolarHBondContact O-CB 3.49Å; T194-L198 VanDerWaalsContact O-CG 3.31Å; T194-L198 WeakPolarHBondContact O-CG 3.21Å; T194-L198 PolarHBondContact O-N 3.48Å
195E97.5Very high95.9Very high131 Ų13170.2 Ų70.261%0.61238%0.383SS*.Hα-helixtrans-57.5-44.9173.8-71.4179169.200111.8E191 L197 L198 S199E191-E195 WeakPolarHBondContact O-CG 3.46Å; E191-E195 PolarHBondContact O-N 2.89Å; E195-L197 VanDerWaalsContact C-N 3.34Å; E195-L197 PolarHBondContact O-N 2.83Å; E195-L198 PolarHBondContact O-N 3.06Å; E195-S199 PolarHBondContact O-N 3.19Å
196L96.9Very high95.8Very high55 Ų5572.3 Ų72.329%0.28839%0.39SS..Hα-helixtrans-61.6-42.6175.7178.662.8000111.7A182 K186 T192 A193 T194 S199A182-L196 HydrophobicContact CB-CD2 4.01Å; K186-L196 HydrophobicContact CG-CD2 4.28Å; T192-L196 WeakPolarHBondContact O-CB 3.41Å; T192-L196 PolarHBondContact O-N 3.35Å; T192-L196 VanDerWaalsContact O-N 3.09Å; A193-L196 PolarHBondContact O-N 3.23Å; T194-L196 VanDerWaalsContact C-N 3.32Å; T194-L196 PolarHBondContact O-N 3.07Å; L196-S199 PolarHBondContact O-N 2.68Å; L196-S199 PolarHBondContact O-OG 3.13Å
197L97.2Very high95.7Very high8 Ų871.4 Ų71.44%0.04239%0.392CS..Hα-helixtrans-66-36.7178.9-73.9167.9000113L169 F174 A178 V179 A182 A193 T194 E195 S199L169-L197 HydrophobicContact CD1-CD1 3.95Å; F174-L197 HydrophobicContact CB-CD1 4.26Å; F174-L197 HydrophobicContact CD1-CB 3.87Å; F174-L197 HydrophobicContact CD1-CD1 4.47Å; F174-L197 HydrophobicContact CD2-CB 4.4Å; F174-L197 HydrophobicContact CD2-CD1 3.85Å; F174-L197 HydrophobicContact CE1-CB 3.76Å; F174-L197 HydrophobicContact CE2-CB 4.31Å; F174-L197 HydrophobicContact CE2-CD1 4.29Å; F174-L197 HydrophobicContact CG-CB 4.19Å; F174-L197 HydrophobicContact CG-CD1 3.96Å; F174-L197 HydrophobicContact CG-CG 4.47Å; F174-L197 HydrophobicContact CZ-CB 4Å; A178-L197 HydrophobicContact CB-CD2 3.78Å; V179-L197 HydrophobicContact CG2-CD1 3.87Å; V179-L197 HydrophobicContact CG2-CD2 4.47Å; A182-L197 HydrophobicContact CB-CD1 4.19Å; A182-L197 HydrophobicContact CB-CD2 3.93Å; A182-L197 HydrophobicContact CB-CG 3.74Å; A193-L197 VanDerWaalsContact O-CG 3.27Å; A193-L197 WeakPolarHBondContact O-CG 3.39Å; A193-L197 PolarHBondContact O-N 2.91Å; T194-L197 PolarHBondContact O-N 3.43Å; T194-L197 VanDerWaalsContact O-N 3.16Å; E195-L197 VanDerWaalsContact C-N 3.34Å; E195-L197 PolarHBondContact O-N 2.83Å; L197-S199 VanDerWaalsContact C-N 3.25Å; L197-S199 PolarHBondContact O-N 3.42Å
198L95.8Very high95.7Very high119 Ų11971.5 Ų71.562%0.62339%0.385SS*.Hα-helixtrans-72.3-18.5176.7-72170.9000113.2F174 T194 E195F174-L198 HydrophobicContact CE1-CD2 4.12Å; F174-L198 HydrophobicContact CE1-CG 4.5Å; F174-L198 HydrophobicContact CZ-CD2 3.74Å; F174-L198 HydrophobicContact CZ-CG 3.99Å; T194-L198 HydrophobicContact CG2-CD1 3.97Å; T194-L198 HydrophobicContact CG2-CG 4.34Å; T194-L198 WeakPolarHBondContact O-CB 3.49Å; T194-L198 VanDerWaalsContact O-CG 3.31Å; T194-L198 WeakPolarHBondContact O-CG 3.21Å; T194-L198 PolarHBondContact O-N 3.48Å; E195-L198 PolarHBondContact O-N 3.06Å
199S93.6Very high95.5Very high88 Ų8877.1 Ų77.162%0.61542%0.415SS*.THydrogen-bonded Turntrans-85.1-7178.973.10000114.6E195 L196 L197E195-S199 PolarHBondContact O-N 3.19Å; L196-S199 PolarHBondContact O-N 2.68Å; L196-S199 PolarHBondContact O-OG 3.13Å; L197-S199 VanDerWaalsContact C-N 3.25Å; L197-S199 PolarHBondContact O-N 3.42Å
200N79.8Confident95.3Very high173 Ų17378.1 Ų78.193%0.92542%0.421SS*.  trans-91.50176.7-71.7-24.6000111.7

Retrieved 200 of 200 residues in 264.9 ms (Link to these results)

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