X6RJB2_HUMAN Loading...

F-box/LRR-repeat protein 15

AlphaFold DB , UniProt , Accession X6RJB2, Species HUMAN (Homo sapiens, Human), Gene FBXL15, Length 190 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M39.2Very low43Very low247 Ų247149.1 Ų149.1100%1.21787%0.867SS**  095.60-83.2-179.7-17300105.9
2E30.3Very low43.1Very low186 Ų186145.5 Ų145.587%0.86984%0.836SS**PPolyproline II helixtrans-72.9150.7-174-80165.1103.500111.6
3P42.4Very low43.3Very low110 Ų110146.6 Ų146.671%0.71483%0.83SS**PPolyproline II helixtrans-62.4156173.529.2-33.8000110.2M5P3-M5 PolarHBondContact O-N 3.2Å
4P52.1Low43.4Very low129 Ų129146.1 Ų146.184%0.83884%0.835SS**PPolyproline II helixtrans-65.7122.7-179.123.5-25.9000110.1
5M45.5Very low44Very low185 Ų185141.2 Ų141.291%0.91183%0.829SS**PPolyproline II helixtrans-49.2137.7173.6-90.7-175.6-107.100112.1P3P3-M5 PolarHBondContact O-N 3.2Å
6E48.3Very low44.1Very low182 Ų182136.1 Ų136.185%0.8581%0.808SS**PPolyproline II helixtrans-57.6135.3171.7-62.9-171.5125.900111S8E6-S8 PolarHBondContact O-N 2.97Å
7P44.5Very low44.9Very low129 Ų129134.6 Ų134.684%0.83880%0.8SS**  trans-78.4112174.530.2-29.5000110
8S45.1Very low46.1Very low124 Ų124135.2 Ų135.287%0.86779%0.786SS**  trans-66126.2167.3-57.60000111.4E6E6-S8 PolarHBondContact O-N 2.97Å
9G47.5Very low46.8Very low84 Ų84132.2 Ų132.287%0.86676%0.763SS**  trans77.492.9147.400000117.5
10G35.7Very low47.6Very low60 Ų60129.4 Ų129.462%0.61974%0.744SS**  trans-163.598.3161.800000110.3Q12G10-Q12 PolarHBondContact O-N 3.29Å
11E42.8Very low48.6Very low204 Ų204127.5 Ų127.595%0.95373%0.732SS**  trans-2.1102.1173.4-65.4170.913400116
12Q43.3Very low49.7Very low106 Ų106118.6 Ų118.650%0.49569%0.689SS.*  trans-102.9127-179.8-144.8113.1-5.500109.6G10G10-Q12 PolarHBondContact O-N 3.29Å
13E46.5Very low51.5Low160 Ų160112.9 Ų112.975%0.74867%0.668SS**  trans-56132.6166.6-75.2-161.7146.500110.3G15E13-G15 PolarHBondContact O-N 3.11Å
14P43.7Very low52.5Low139 Ų139112.6 Ų112.690%0.90365%0.653SS**THydrogen-bonded Turntrans-75.895.5-177.429.9-31.5000109.5
15G53.2Low52.8Low73 Ų73112.2 Ų112.275%0.75364%0.64SS**THydrogen-bonded Turntrans143-12.5167.300000116.6E13 V17E13-G15 PolarHBondContact O-N 3.11Å; G15-V17 PolarHBondContact O-N 2.85Å
16A46.3Very low53.4Low59 Ų59108.9 Ų108.949%0.48863%0.626SS.*  trans-89.584178.600000110.7R18A16-R18 PolarHBondContact O-N 3.07Å; A16-R18 VanDerWaalsContact O-N 3.07Å
17V57.4Low53.9Low111 Ų111102.7 Ų102.767%0.67360%0.6SS**  trans-60.8112.3168-173.70000107.3G15 D21G15-V17 PolarHBondContact O-N 2.85Å; V17-D21 HydrophobicContact CG1-CB 4.17Å
18R65.3Low54.8Low145 Ų14596.6 Ų96.655%0.54756%0.561SS.*  trans-76.3148.4177.5-60.8179.1175.3144.90.8107.6A16 L20 D21A16-R18 PolarHBondContact O-N 3.07Å; A16-R18 VanDerWaalsContact O-N 3.07Å; R18-L20 PolarHBondContact O-N 3.36Å; R18-D21 VanDerWaalsContact CB-OD2 3.3Å; R18-D21 WeakPolarHBondContact CB-OD2 3.46Å; R18-D21 PolarHBondContact N-OD2 2.85Å; R18-D21 VanDerWaalsContact O-CB 3.3Å; R18-D21 WeakPolarHBondContact O-CB 3.43Å; R18-D21 PolarHBondContact O-N 3.21Å
19F60.3Low55.7Low78 Ų7892 Ų9234%0.34253%0.526SS..G310 helixtrans-52.2-32.7-180-179.5-100.5000113.6D21 L22 L28 V32 F51F19-D21 VanDerWaalsContact C-N 3.32Å; F19-L22 HydrophobicContact CD2-CD1 4.46Å; F19-L28 HydrophobicContact CD1-CD2 4.26Å; F19-L28 HydrophobicContact CD2-CD2 4.07Å; F19-L28 HydrophobicContact CE1-CD1 4.37Å; F19-L28 HydrophobicContact CE1-CD2 3.78Å; F19-L28 HydrophobicContact CE2-CD2 3.57Å; F19-L28 HydrophobicContact CG-CD2 4.4Å; F19-L28 HydrophobicContact CZ-CD2 3.43Å; F19-L28 VanDerWaalsContact CZ-CD2 3.43Å; F19-L28 WeakPolarHBondContact O-CD1 3.23Å; F19-V32 HydrophobicContact CE2-CB 4.27Å; F19-V32 HydrophobicContact CE2-CG1 3.75Å; F19-V32 HydrophobicContact CE2-CG2 4.07Å; F19-V32 HydrophobicContact CZ-CB 4.1Å; F19-V32 HydrophobicContact CZ-CG1 3.62Å; F19-V32 HydrophobicContact CZ-CG2 4.35Å; F19-F51 AromaticContact CD1-CE1 3.87Å; F19-F51 HydrophobicContact CD1-CE1 3.87Å; F19-F51 AromaticContact CD1-CZ 3.88Å; F19-F51 HydrophobicContact CD1-CZ 3.88Å; F19-F51 AromaticContact CE1-CE1 3.77Å; F19-F51 HydrophobicContact CE1-CE1 3.77Å; F19-F51 HydrophobicContact CE1-CZ 4.26Å
20L63.4Low56.3Low76 Ų7690.8 Ų90.840%0.39850%0.503SS..G310 helixtrans-81.1-8.8179.3-62.9173.2000114R18 A50 F51 L54R18-L20 PolarHBondContact O-N 3.36Å; L20-A50 HydrophobicContact CD1-CB 4.1Å; L20-F51 HydrophobicContact CD1-CE2 4.31Å; L20-F51 HydrophobicContact CD2-CE1 4.29Å; L20-F51 HydrophobicContact CD2-CE2 4.37Å; L20-F51 HydrophobicContact CD2-CZ 4.12Å; L20-F51 HydrophobicContact CG-CZ 4.44Å; L20-L54 HydrophobicContact CD2-CD1 3.44Å; L20-L54 VanDerWaalsContact CD2-CD1 3.44Å
21D67.6Low57.5Low90 Ų9093.6 Ų93.648%0.48150%0.5SS..G310 helixtrans-81.6-8.7175.2-54.5-24.2000111.1V17 R18 F19V17-D21 HydrophobicContact CG1-CB 4.17Å; R18-D21 VanDerWaalsContact CB-OD2 3.3Å; R18-D21 WeakPolarHBondContact CB-OD2 3.46Å; R18-D21 PolarHBondContact N-OD2 2.85Å; R18-D21 VanDerWaalsContact O-CB 3.3Å; R18-D21 WeakPolarHBondContact O-CB 3.43Å; R18-D21 PolarHBondContact O-N 3.21Å; F19-D21 VanDerWaalsContact C-N 3.32Å
22L62.7Low58.6Low61 Ų6186 Ų8632%0.31947%0.467SS..SBendtrans-77141.8173.6-66.8169.3000110.7F19 W24 V27 L28F19-L22 HydrophobicContact CD2-CD1 4.46Å; L22-W24 PolarHBondContact O-N 2.99Å; L22-W24 VanDerWaalsContact O-N 3.14Å; L22-V27 HydrophobicContact CB-CG1 4.42Å; L22-V27 HydrophobicContact CD1-CG1 4.32Å; L22-L28 HydrophobicContact CB-CD1 4.27Å; L22-L28 HydrophobicContact CB-CD2 3.79Å; L22-L28 HydrophobicContact CB-CG 3.9Å; L22-L28 HydrophobicContact CD1-CD2 3.81Å; L22-L28 HydrophobicContact CG-CD2 4.44Å; L22-L28 WeakPolarHBondContact O-CD1 3.23Å
23P68.6Low59.7Low66 Ų6681.1 Ų81.143%0.42945%0.445SS..  trans-60.5120.1178.322.8-31.1000110.2V27 L28P23-V27 HydrophobicContact CG-CB 4.29Å; P23-V27 HydrophobicContact CG-CG2 3.83Å; P23-V27 WeakPolarHBondContact O-CB 3.47Å; P23-V27 PolarHBondContact O-N 3.14Å; P23-L28 PolarHBondContact O-N 3.45Å
24W63.2Low60.8Low104 Ų10478.8 Ų78.839%0.39444%0.437SS..Iπ-helixtrans-74.8-32.3-167.657.8-88.3000113L22 L28 L29 L54 L57L22-W24 PolarHBondContact O-N 2.99Å; L22-W24 VanDerWaalsContact O-N 3.14Å; W24-L28 HydrophobicContact CB-CB 4.37Å; W24-L28 HydrophobicContact CB-CD1 4.14Å; W24-L29 HydrophobicContact CE3-CD1 3.52Å; W24-L29 HydrophobicContact CE3-CG 4.34Å; W24-L29 HydrophobicContact CZ3-CD1 3.76Å; W24-L29 VanDerWaalsContact O-CB 3.23Å; W24-L29 WeakPolarHBondContact O-CB 3.3Å; W24-L29 WeakPolarHBondContact O-CG 3.3Å; W24-L29 PolarHBondContact O-N 3.32Å; W24-L54 HydrophobicContact CB-CD2 3.51Å; W24-L54 HydrophobicContact CG-CD2 4.14Å; W24-L57 HydrophobicContact CE3-CD1 4.14Å; W24-L57 HydrophobicContact CH2-CD1 4.24Å; W24-L57 HydrophobicContact CZ3-CD1 3.8Å; W24-L57 HydrophobicContact CZ3-CD2 4.23Å; W24-L57 HydrophobicContact CZ3-CG 4.46Å
25E57.3Low61.8Low121 Ų12182.4 Ų82.457%0.56543%0.433SS*.Iπ-helixtrans-70.1-41.9176.5-68.4-174.6158.100112.8P30E25-P30 WeakPolarHBondContact O-CD 3.05Å; E25-P30 WeakPolarHBondContact O-CG 3.21Å
26D58.1Low62.4Low114 Ų11480.5 Ų80.561%0.6141%0.406SS*.Iπ-helixtrans-93.4-33.3-171.1-62.7-43.6000113.5P30 H31D26-P30 WeakPolarHBondContact O-CG 3.43Å; D26-H31 PolarHBondContact O-ND1 3.24Å; D26-H31 VanDerWaalsContact O-ND1 3.11Å
27V60.2Low63.4Low53 Ų5380.5 Ų80.532%0.32140%0.401SS..Iπ-helixtrans-116-53-170.8179.50000111.3L22 P23 H31 V32L22-V27 HydrophobicContact CB-CG1 4.42Å; L22-V27 HydrophobicContact CD1-CG1 4.32Å; P23-V27 HydrophobicContact CG-CB 4.29Å; P23-V27 HydrophobicContact CG-CG2 3.83Å; P23-V27 WeakPolarHBondContact O-CB 3.47Å; P23-V27 PolarHBondContact O-N 3.14Å; V27-H31 VanDerWaalsContact O-CB 3.32Å; V27-H31 WeakPolarHBondContact O-CB 3.48Å; V27-H31 PolarHBondContact O-N 2.86Å; V27-V32 PolarHBondContact O-N 3.03Å
28L62.1Low63.8Low1 Ų175.9 Ų75.91%0.00537%0.373CS..Iπ-helixtrans-72.1-46.8-173.1-59.6179.9000113F19 L22 P23 W24 V32 L33 L54F19-L28 HydrophobicContact CD1-CD2 4.26Å; F19-L28 HydrophobicContact CD2-CD2 4.07Å; F19-L28 HydrophobicContact CE1-CD1 4.37Å; F19-L28 HydrophobicContact CE1-CD2 3.78Å; F19-L28 HydrophobicContact CE2-CD2 3.57Å; F19-L28 HydrophobicContact CG-CD2 4.4Å; F19-L28 HydrophobicContact CZ-CD2 3.43Å; F19-L28 VanDerWaalsContact CZ-CD2 3.43Å; F19-L28 WeakPolarHBondContact O-CD1 3.23Å; L22-L28 HydrophobicContact CB-CD1 4.27Å; L22-L28 HydrophobicContact CB-CD2 3.79Å; L22-L28 HydrophobicContact CB-CG 3.9Å; L22-L28 HydrophobicContact CD1-CD2 3.81Å; L22-L28 HydrophobicContact CG-CD2 4.44Å; L22-L28 WeakPolarHBondContact O-CD1 3.23Å; P23-L28 PolarHBondContact O-N 3.45Å; W24-L28 HydrophobicContact CB-CB 4.37Å; W24-L28 HydrophobicContact CB-CD1 4.14Å; L28-V32 HydrophobicContact CD2-CG2 4.25Å; L28-V32 PolarHBondContact O-N 3.47Å; L28-L33 WeakPolarHBondContact O-CB 3.35Å; L28-L33 WeakPolarHBondContact O-CG 3.17Å; L28-L33 PolarHBondContact O-N 3.27Å; L28-L54 HydrophobicContact CD1-CD1 4.4Å
29L63.7Low63.8Low28 Ų2874.1 Ų74.115%0.14737%0.366CS..Iπ-helixtrans-67.3-50.2180-73.6173.3000112.9W24 L33 N34 L57 H58W24-L29 HydrophobicContact CE3-CD1 3.52Å; W24-L29 HydrophobicContact CE3-CG 4.34Å; W24-L29 HydrophobicContact CZ3-CD1 3.76Å; W24-L29 VanDerWaalsContact O-CB 3.23Å; W24-L29 WeakPolarHBondContact O-CB 3.3Å; W24-L29 WeakPolarHBondContact O-CG 3.3Å; W24-L29 PolarHBondContact O-N 3.32Å; L29-L33 HydrophobicContact CD2-CD1 3.79Å; L29-L33 HydrophobicContact CG-CD1 4.49Å; L29-N34 PolarHBondContact O-N 3.2Å; L29-L57 HydrophobicContact CD2-CB 4.49Å; L29-H58 HydrophobicContact CD2-CB 3.45Å; L29-H58 VanDerWaalsContact CD2-CB 3.45Å
30P61.5Low64.3Low57 Ų5775.4 Ų75.437%0.3737%0.373SS..Iπ-helixtrans-82.9-34.1-171.1-11.729.9000112.8E25 D26 N34E25-P30 WeakPolarHBondContact O-CD 3.05Å; E25-P30 WeakPolarHBondContact O-CG 3.21Å; D26-P30 WeakPolarHBondContact O-CG 3.43Å; P30-N34 VanDerWaalsContact O-CB 3.23Å; P30-N34 WeakPolarHBondContact O-CB 3.32Å
31H61.2Low64.7Low120 Ų12071.9 Ų71.956%0.55636%0.355SS*.Iπ-helixtrans-104.4-32.8-169-64.887000113.6D26 V27D26-H31 PolarHBondContact O-ND1 3.24Å; D26-H31 VanDerWaalsContact O-ND1 3.11Å; V27-H31 VanDerWaalsContact O-CB 3.32Å; V27-H31 WeakPolarHBondContact O-CB 3.48Å; V27-H31 PolarHBondContact O-N 2.86Å
32V66.1Low64.8Low45 Ų4569.4 Ų69.427%0.27334%0.342SS..Iπ-helixtrans-98.5-62.5-179.1-171.70000111.2F19 V27 L28 N34 R35 V36F19-V32 HydrophobicContact CE2-CB 4.27Å; F19-V32 HydrophobicContact CE2-CG1 3.75Å; F19-V32 HydrophobicContact CE2-CG2 4.07Å; F19-V32 HydrophobicContact CZ-CB 4.1Å; F19-V32 HydrophobicContact CZ-CG1 3.62Å; F19-V32 HydrophobicContact CZ-CG2 4.35Å; V27-V32 PolarHBondContact O-N 3.03Å; L28-V32 HydrophobicContact CD2-CG2 4.25Å; L28-V32 PolarHBondContact O-N 3.47Å; V32-N34 VanDerWaalsContact C-N 3.28Å; V32-N34 PolarHBondContact O-N 3.29Å; V32-R35 PolarHBondContact O-N 3.13Å; V32-V36 HydrophobicContact CG1-CG2 4.39Å; V32-V36 WeakPolarHBondContact O-CG2 3.5Å; V32-V36 PolarHBondContact O-N 3.42Å
33L65.5Low65.2Low3 Ų374.8 Ų74.82%0.01636%0.357CS..G310 helixtrans-64.9-33.5-172-65.4169000112.1L28 L29 R35 V36 L41 L54 H58L28-L33 WeakPolarHBondContact O-CB 3.35Å; L28-L33 WeakPolarHBondContact O-CG 3.17Å; L28-L33 PolarHBondContact O-N 3.27Å; L29-L33 HydrophobicContact CD2-CD1 3.79Å; L29-L33 HydrophobicContact CG-CD1 4.49Å; L33-R35 PolarHBondContact O-N 2.85Å; L33-V36 PolarHBondContact O-N 2.98Å; L33-V36 VanDerWaalsContact O-N 3.13Å; L33-L41 HydrophobicContact CB-CD2 4.06Å; L33-L41 HydrophobicContact CD2-CD2 3.32Å; L33-L41 HydrophobicContact CG-CD2 4.26Å; L33-L54 HydrophobicContact CD1-CB 4.39Å; L33-H58 HydrophobicContact CD1-CB 4.33Å
34N68.9Low65.3Low111 Ų11173.9 Ų73.959%0.59435%0.349SS*.G310 helixtrans-65.4-21.6174.8-153.914.5000113.8L29 P30 V32 H58L29-N34 PolarHBondContact O-N 3.2Å; P30-N34 VanDerWaalsContact O-CB 3.23Å; P30-N34 WeakPolarHBondContact O-CB 3.32Å; V32-N34 VanDerWaalsContact C-N 3.28Å; V32-N34 PolarHBondContact O-N 3.29Å; N34-H58 PolarHBondContact N-CE1 2.99Å
35R65.4Low65.7Low215 Ų21569.3 Ų69.381%0.81133%0.332SS*.G310 helixtrans-95.9-8.9175.8-65.6-162.2179.1-161.32.8113.2V32 L33V32-R35 PolarHBondContact O-N 3.13Å; L33-R35 PolarHBondContact O-N 2.85Å
36V65.1Low66.6Low32 Ų3274.1 Ų74.119%0.19435%0.345CS..SBendtrans-88.2126.2179.8175.90000108.2V32 L33 L38 Q40 L41 L44V32-V36 HydrophobicContact CG1-CG2 4.39Å; V32-V36 WeakPolarHBondContact O-CG2 3.5Å; V32-V36 PolarHBondContact O-N 3.42Å; L33-V36 PolarHBondContact O-N 2.98Å; L33-V36 VanDerWaalsContact O-N 3.13Å; V36-L38 PolarHBondContact O-N 3.26Å; V36-Q40 HydrophobicContact CG1-CB 3.43Å; V36-Q40 VanDerWaalsContact CG1-CB 3.43Å; V36-L41 HydrophobicContact CB-CD2 3.95Å; V36-L41 HydrophobicContact CB-CG 4.14Å; V36-L41 HydrophobicContact CG1-CD2 3.87Å; V36-L41 HydrophobicContact CG1-CG 3.85Å; V36-L44 HydrophobicContact CG1-CD1 4.49Å
37P66.9Low67.6Low59 Ų5973.4 Ų73.438%0.38334%0.344SS..  trans-59.8142.1177.523.3-31.9000110.3R39 Q40 L41P37-R39 PolarHBondContact O-N 3.11Å; P37-Q40 HydrophobicContact CG-CB 4.19Å; P37-Q40 HydrophobicContact CG-CG 4.02Å; P37-Q40 WeakPolarHBondContact O-CA 3.37Å; P37-Q40 PolarHBondContact O-N 3.45Å; P37-L41 PolarHBondContact O-N 3.39Å; P37-L41 VanDerWaalsContact O-N 3.16Å
38L67.1Low68.6Low14 Ų1473.4 Ų73.47%0.07335%0.347CS..Hα-helixtrans-49.4-32.8-178-74.8166.6000113.3V36 Q40 L41 L42 L59 L62 F65 V70V36-L38 PolarHBondContact O-N 3.26Å; L38-Q40 PolarHBondContact O-N 3.24Å; L38-L41 HydrophobicContact CD2-CD1 4.13Å; L38-L41 PolarHBondContact O-N 3.15Å; L38-L42 WeakPolarHBondContact O-CG 3.4Å; L38-L42 PolarHBondContact O-N 3.08Å; L38-L59 HydrophobicContact CD2-CD2 4.16Å; L38-L62 HydrophobicContact CD2-CD1 3.9Å; L38-F65 HydrophobicContact CD1-CD2 3.86Å; L38-F65 HydrophobicContact CD1-CE2 3.81Å; L38-V70 HydrophobicContact CB-CG2 3.76Å; L38-V70 HydrophobicContact CD1-CG2 3.8Å; L38-V70 HydrophobicContact CG-CG2 4.44Å
39R65.7Low69.4Low108 Ų10883.6 Ų83.641%0.40839%0.385SS..Hα-helixtrans-60-41.9173.8-179.9177.5-70.9-101.8-8.1113.2P37 R43 V70P37-R39 PolarHBondContact O-N 3.11Å; R39-R43 PolarHBondContact O-N 2.92Å; R39-V70 PolarHBondContact NE-O 2.76Å; R39-V70 PolarHBondContact NH2-O 2.8Å
40Q70.5Confident69.9Low106 Ų10684.2 Ų84.250%0.49539%0.394SS..Hα-helixtrans-74.8-37177-76.3-175.6-6.200111.1V36 P37 L38 L42 R43 L44V36-Q40 HydrophobicContact CG1-CB 3.43Å; V36-Q40 VanDerWaalsContact CG1-CB 3.43Å; P37-Q40 HydrophobicContact CG-CB 4.19Å; P37-Q40 HydrophobicContact CG-CG 4.02Å; P37-Q40 WeakPolarHBondContact O-CA 3.37Å; P37-Q40 PolarHBondContact O-N 3.45Å; L38-Q40 PolarHBondContact O-N 3.24Å; Q40-L42 VanDerWaalsContact C-N 3.29Å; Q40-L42 PolarHBondContact O-N 3.4Å; Q40-R43 WeakPolarHBondContact O-CB 3.45Å; Q40-R43 PolarHBondContact O-N 2.93Å; Q40-L44 WeakPolarHBondContact O-CG 3.39Å; Q40-L44 PolarHBondContact O-N 3.41Å
41L71.6Confident70.5Confident2 Ų283 Ų831%0.0138%0.383CS..Hα-helixtrans-57.4-42.3172.3-67.1175.5000112L33 V36 P37 L38 R43 L44 Q45 V55L33-L41 HydrophobicContact CB-CD2 4.06Å; L33-L41 HydrophobicContact CD2-CD2 3.32Å; L33-L41 HydrophobicContact CG-CD2 4.26Å; V36-L41 HydrophobicContact CB-CD2 3.95Å; V36-L41 HydrophobicContact CB-CG 4.14Å; V36-L41 HydrophobicContact CG1-CD2 3.87Å; V36-L41 HydrophobicContact CG1-CG 3.85Å; P37-L41 PolarHBondContact O-N 3.39Å; P37-L41 VanDerWaalsContact O-N 3.16Å; L38-L41 HydrophobicContact CD2-CD1 4.13Å; L38-L41 PolarHBondContact O-N 3.15Å; L41-R43 VanDerWaalsContact C-N 3.33Å; L41-R43 PolarHBondContact O-N 3.45Å; L41-L44 HydrophobicContact CD2-CD1 4.39Å; L41-L44 WeakPolarHBondContact O-CB 3.5Å; L41-L44 PolarHBondContact O-N 3.08Å; L41-Q45 PolarHBondContact O-N 3.42Å; L41-Q45 VanDerWaalsContact O-N 3.11Å; L41-V55 HydrophobicContact CB-CG1 4.13Å; L41-V55 HydrophobicContact CB-CG2 4.45Å; L41-V55 HydrophobicContact CD2-CG2 4.29Å
42L69.9Low71.1Confident38 Ų3882.9 Ų82.920%0.19938%0.378CS..Hα-helixtrans-62.1-37.3174-79.4172.1000113.3L38 Q40 V70 L82L38-L42 WeakPolarHBondContact O-CG 3.4Å; L38-L42 PolarHBondContact O-N 3.08Å; Q40-L42 VanDerWaalsContact C-N 3.29Å; Q40-L42 PolarHBondContact O-N 3.4Å; L42-V70 HydrophobicContact CD1-CG1 4.04Å; L42-L82 HydrophobicContact CD1-CD1 3.92Å; L42-L82 HydrophobicContact CD1-CD2 4.41Å; L42-L82 HydrophobicContact CD2-CD1 4.22Å; L42-L82 HydrophobicContact CD2-CD2 3.57Å; L42-L82 HydrophobicContact CD2-CG 3.89Å; L42-L82 HydrophobicContact CG-CD1 4.37Å; L42-L82 HydrophobicContact CG-CD2 3.95Å; L42-L82 HydrophobicContact CG-CG 4.45Å
43R71.3Confident71.6Confident173 Ų17383.8 Ų83.865%0.65339%0.386SS*.Hα-helixtrans-68.3-39174.1-71.7-177.1176.5-178-1.2110.9R39 Q40 L41 Q45 R46R39-R43 PolarHBondContact O-N 2.92Å; Q40-R43 WeakPolarHBondContact O-CB 3.45Å; Q40-R43 PolarHBondContact O-N 2.93Å; L41-R43 VanDerWaalsContact C-N 3.33Å; L41-R43 PolarHBondContact O-N 3.45Å; R43-Q45 VanDerWaalsContact C-N 3.3Å; R43-Q45 PolarHBondContact O-N 3.25Å; R43-R46 WeakPolarHBondContact O-CB 3.46Å; R43-R46 PolarHBondContact O-N 3.26Å; R43-R46 VanDerWaalsContact O-N 3.08Å
44L70.9Confident72Confident47 Ų4784.4 Ų84.425%0.24639%0.389CS..Hα-helixtrans-62.3-33.5177.7-70.5172000112.6V36 Q40 L41 R46 V47 F51 V55V36-L44 HydrophobicContact CG1-CD1 4.49Å; Q40-L44 WeakPolarHBondContact O-CG 3.39Å; Q40-L44 PolarHBondContact O-N 3.41Å; L41-L44 HydrophobicContact CD2-CD1 4.39Å; L41-L44 WeakPolarHBondContact O-CB 3.5Å; L41-L44 PolarHBondContact O-N 3.08Å; L44-R46 PolarHBondContact O-N 3.29Å; L44-V47 HydrophobicContact CD2-CG2 4.35Å; L44-V47 WeakPolarHBondContact O-CB 3.24Å; L44-V47 PolarHBondContact O-N 3.43Å; L44-F51 HydrophobicContact CB-CD1 4.33Å; L44-F51 HydrophobicContact CD2-CD1 4.34Å; L44-F51 HydrophobicContact CD2-CE1 4.34Å; L44-F51 WeakPolarHBondContact O-CB 3.47Å; L44-V55 HydrophobicContact CB-CG2 4.34Å
45Q71.4Confident72.3Confident9 Ų979.2 Ų79.24%0.04236%0.362CS..THydrogen-bonded Turntrans-57.9-21.1173.8-72.8-168.3-17.400114.5L41 R43 R52 V55L41-Q45 PolarHBondContact O-N 3.42Å; L41-Q45 VanDerWaalsContact O-N 3.11Å; R43-Q45 VanDerWaalsContact C-N 3.3Å; R43-Q45 PolarHBondContact O-N 3.25Å; Q45-R52 PolarHBondContact O-NE 2.91Å; Q45-V55 HydrophobicContact CG-CB 3.66Å; Q45-V55 HydrophobicContact CG-CG1 3.61Å; Q45-V55 HydrophobicContact CG-CG2 4.07Å
46R75.1Confident72.7Confident222 Ų22272.5 Ų72.584%0.83834%0.339SS*.THydrogen-bonded Turntrans-93-8.6179.5-61.8-17567.6147.8-0.6113.2R43 L44R43-R46 WeakPolarHBondContact O-CB 3.46Å; R43-R46 PolarHBondContact O-N 3.26Å; R43-R46 VanDerWaalsContact O-N 3.08Å; L44-R46 PolarHBondContact O-N 3.29Å
47V80.3Confident73.2Confident98 Ų9875 Ų7559%0.59435%0.351SS*.THydrogen-bonded Turntrans-81-43.2-175.1-179.60000111.6L44 F51L44-V47 HydrophobicContact CD2-CG2 4.35Å; L44-V47 WeakPolarHBondContact O-CB 3.24Å; L44-V47 PolarHBondContact O-N 3.43Å; V47-F51 HydrophobicContact CB-CD2 4.28Å; V47-F51 HydrophobicContact CG1-CD2 4.17Å; V47-F51 HydrophobicContact CG1-CE2 4.43Å
48S80.1Confident73.6Confident53 Ų5372.9 Ų72.937%0.37134%0.336SS..  trans-157161.6179.7179.10000112A50 F51 R52S48-A50 VanDerWaalsContact C-N 3.25Å; S48-A50 PolarHBondContact O-N 2.75Å; S48-A50 PolarHBondContact OG-N 2.81Å; S48-F51 PolarHBondContact O-N 3.06Å; S48-R52 PolarHBondContact O-N 2.83Å
49R78.6Confident73.9Confident216 Ų21672.3 Ų72.382%0.81533%0.333SS*.Hα-helixtrans-58.1-39169.8-64.9-176.5-176.8-179.11.1111.3R52 S53R49-R52 WeakPolarHBondContact O-CB 3.22Å; R49-R52 PolarHBondContact O-N 3.28Å; R49-S53 PolarHBondContact O-N 3.37Å; R49-S53 PolarHBondContact O-OG 3.25Å
50A75.1Confident74.3Confident41 Ų4169.1 Ų69.134%0.33933%0.33SS..Hα-helixtrans-63.8-48.617800000112.2L20 S48 R52 S53 L54L20-A50 HydrophobicContact CD1-CB 4.1Å; S48-A50 VanDerWaalsContact C-N 3.25Å; S48-A50 PolarHBondContact O-N 2.75Å; S48-A50 PolarHBondContact OG-N 2.81Å; A50-R52 VanDerWaalsContact C-N 3.28Å; A50-R52 PolarHBondContact O-N 2.93Å; A50-S53 PolarHBondContact O-N 2.91Å; A50-L54 WeakPolarHBondContact O-CG 3.44Å; A50-L54 PolarHBondContact O-N 3.03Å
51F73.2Confident74.4Confident32 Ų3266.8 Ų66.814%0.1433%0.334CS..Hα-helixtrans-63.4-33.9175.3-80.6-72.5000112.6F19 L20 L44 V47 S48 V55F19-F51 AromaticContact CD1-CE1 3.87Å; F19-F51 HydrophobicContact CD1-CE1 3.87Å; F19-F51 AromaticContact CD1-CZ 3.88Å; F19-F51 HydrophobicContact CD1-CZ 3.88Å; F19-F51 AromaticContact CE1-CE1 3.77Å; F19-F51 HydrophobicContact CE1-CE1 3.77Å; F19-F51 HydrophobicContact CE1-CZ 4.26Å; L20-F51 HydrophobicContact CD1-CE2 4.31Å; L20-F51 HydrophobicContact CD2-CE1 4.29Å; L20-F51 HydrophobicContact CD2-CE2 4.37Å; L20-F51 HydrophobicContact CD2-CZ 4.12Å; L20-F51 HydrophobicContact CG-CZ 4.44Å; L44-F51 HydrophobicContact CB-CD1 4.33Å; L44-F51 HydrophobicContact CD2-CD1 4.34Å; L44-F51 HydrophobicContact CD2-CE1 4.34Å; L44-F51 WeakPolarHBondContact O-CB 3.47Å; V47-F51 HydrophobicContact CB-CD2 4.28Å; V47-F51 HydrophobicContact CG1-CD2 4.17Å; V47-F51 HydrophobicContact CG1-CE2 4.43Å; S48-F51 PolarHBondContact O-N 3.06Å; F51-V55 WeakPolarHBondContact O-CB 3.16Å; F51-V55 WeakPolarHBondContact O-CG2 3.48Å; F51-V55 PolarHBondContact O-N 3.37Å
52R74.6Confident74.6Confident116 Ų11667.6 Ų67.644%0.43834%0.338SS..Hα-helixtrans-61.1-50.8173.4-172.5-178.9-60.4177.63.2111.3Q45 S48 R49 A50 V55 Q56Q45-R52 PolarHBondContact O-NE 2.91Å; S48-R52 PolarHBondContact O-N 2.83Å; R49-R52 WeakPolarHBondContact O-CB 3.22Å; R49-R52 PolarHBondContact O-N 3.28Å; A50-R52 VanDerWaalsContact C-N 3.28Å; A50-R52 PolarHBondContact O-N 2.93Å; R52-V55 PolarHBondContact O-N 3.29Å; R52-Q56 WeakPolarHBondContact O-CG 3.19Å; R52-Q56 PolarHBondContact O-N 2.99Å
53S75.8Confident75.3Confident64 Ų6473.4 Ų73.445%0.44836%0.358SS..Hα-helixtrans-61.7-42.7177.7-61.10000112.2R49 A50 Q56 L57R49-S53 PolarHBondContact O-N 3.37Å; R49-S53 PolarHBondContact O-OG 3.25Å; A50-S53 PolarHBondContact O-N 2.91Å; S53-Q56 PolarHBondContact O-N 2.91Å; S53-L57 PolarHBondContact O-N 3.35Å
54L74.6Confident75.9Confident17 Ų1772.9 Ų72.99%0.08936%0.356CS..Hα-helixtrans-61.3-45.8176.2-79.9171.5000112.7L20 W24 L28 L33 A50 Q56 L57 H58L20-L54 HydrophobicContact CD2-CD1 3.44Å; L20-L54 VanDerWaalsContact CD2-CD1 3.44Å; W24-L54 HydrophobicContact CB-CD2 3.51Å; W24-L54 HydrophobicContact CG-CD2 4.14Å; L28-L54 HydrophobicContact CD1-CD1 4.4Å; L33-L54 HydrophobicContact CD1-CB 4.39Å; A50-L54 WeakPolarHBondContact O-CG 3.44Å; A50-L54 PolarHBondContact O-N 3.03Å; L54-Q56 VanDerWaalsContact C-N 3.32Å; L54-L57 PolarHBondContact O-N 3.47Å; L54-H58 WeakPolarHBondContact O-CB 3.42Å; L54-H58 PolarHBondContact O-N 3.33Å
55V76.1Confident76.6Confident1 Ų170.9 Ų70.91%0.00635%0.345CS..Hα-helixtrans-67.5-36.3177.41770000110.2L41 L44 Q45 F51 R52 H58 L59L41-V55 HydrophobicContact CB-CG1 4.13Å; L41-V55 HydrophobicContact CB-CG2 4.45Å; L41-V55 HydrophobicContact CD2-CG2 4.29Å; L44-V55 HydrophobicContact CB-CG2 4.34Å; Q45-V55 HydrophobicContact CG-CB 3.66Å; Q45-V55 HydrophobicContact CG-CG1 3.61Å; Q45-V55 HydrophobicContact CG-CG2 4.07Å; F51-V55 WeakPolarHBondContact O-CB 3.16Å; F51-V55 WeakPolarHBondContact O-CG2 3.48Å; F51-V55 PolarHBondContact O-N 3.37Å; R52-V55 PolarHBondContact O-N 3.29Å; V55-H58 WeakPolarHBondContact O-CB 3.45Å; V55-H58 PolarHBondContact O-N 3.16Å; V55-L59 HydrophobicContact CG1-CD1 3.86Å; V55-L59 HydrophobicContact CG1-CG 4.04Å; V55-L59 WeakPolarHBondContact O-CB 3.41Å; V55-L59 WeakPolarHBondContact O-CG 3.41Å; V55-L59 PolarHBondContact O-N 3.04Å
56Q74.2Confident77.2Confident74 Ų7473 Ų7335%0.34636%0.356SS..Hα-helixtrans-62.7-45.1174.8-75.7-177.1-64.400112.4R52 S53 L54 H58 L59 A60 D85R52-Q56 WeakPolarHBondContact O-CG 3.19Å; R52-Q56 PolarHBondContact O-N 2.99Å; S53-Q56 PolarHBondContact O-N 2.91Å; L54-Q56 VanDerWaalsContact C-N 3.32Å; Q56-H58 VanDerWaalsContact C-N 3.29Å; Q56-H58 PolarHBondContact O-N 3.41Å; Q56-L59 PolarHBondContact O-N 3.43Å; Q56-A60 WeakPolarHBondContact O-CB 3.47Å; Q56-A60 PolarHBondContact O-N 2.78Å; Q56-D85 PolarHBondContact NE2-OD2 2.9Å
57L73.6Confident77.4Confident84 Ų8462.4 Ų62.444%0.4432%0.317SS..Hα-helixtrans-59.6-41.4173.3-80.1158000111.6W24 L29 S53 L54 A60 G61W24-L57 HydrophobicContact CE3-CD1 4.14Å; W24-L57 HydrophobicContact CH2-CD1 4.24Å; W24-L57 HydrophobicContact CZ3-CD1 3.8Å; W24-L57 HydrophobicContact CZ3-CD2 4.23Å; W24-L57 HydrophobicContact CZ3-CG 4.46Å; L29-L57 HydrophobicContact CD2-CB 4.49Å; S53-L57 PolarHBondContact O-N 3.35Å; L54-L57 PolarHBondContact O-N 3.47Å; L57-A60 PolarHBondContact O-N 2.95Å; L57-G61 PolarHBondContact O-N 3.22Å; L57-G61 VanDerWaalsContact O-N 3.15Å
58H75.4Confident77.1Confident16 Ų1660.4 Ų60.47%0.07431%0.311CS..Hα-helixtrans-62.9-48.1175.6-170.168.1000112.4L29 L33 N34 L54 V55 Q56 A60 G61 L62L29-H58 HydrophobicContact CD2-CB 3.45Å; L29-H58 VanDerWaalsContact CD2-CB 3.45Å; L33-H58 HydrophobicContact CD1-CB 4.33Å; N34-H58 PolarHBondContact N-CE1 2.99Å; L54-H58 WeakPolarHBondContact O-CB 3.42Å; L54-H58 PolarHBondContact O-N 3.33Å; V55-H58 WeakPolarHBondContact O-CB 3.45Å; V55-H58 PolarHBondContact O-N 3.16Å; Q56-H58 VanDerWaalsContact C-N 3.29Å; Q56-H58 PolarHBondContact O-N 3.41Å; H58-A60 VanDerWaalsContact C-N 3.29Å; H58-A60 PolarHBondContact O-N 3.25Å; H58-G61 CarbonylContact O-C 3.53Å; H58-G61 WeakPolarHBondContact O-CA 3.49Å; H58-G61 PolarHBondContact O-N 3.27Å; H58-G61 VanDerWaalsContact O-N 3.08Å; H58-L62 WeakPolarHBondContact O-CG 3.41Å; H58-L62 PolarHBondContact O-N 3.17Å; H58-L62 VanDerWaalsContact O-N 3.08Å
59L74Confident76.6Confident1 Ų164 Ų641%0.00532%0.321CS..Hα-helixtrans-61.3-37.6178.4-68.9171000111.7L38 V55 Q56 G61 L62 L82L38-L59 HydrophobicContact CD2-CD2 4.16Å; V55-L59 HydrophobicContact CG1-CD1 3.86Å; V55-L59 HydrophobicContact CG1-CG 4.04Å; V55-L59 WeakPolarHBondContact O-CB 3.41Å; V55-L59 WeakPolarHBondContact O-CG 3.41Å; V55-L59 PolarHBondContact O-N 3.04Å; Q56-L59 PolarHBondContact O-N 3.43Å; L59-G61 VanDerWaalsContact C-N 3.29Å; L59-G61 PolarHBondContact O-N 3.25Å; L59-L62 HydrophobicContact CD2-CD1 3.57Å; L59-L62 WeakPolarHBondContact O-CB 3.21Å; L59-L62 PolarHBondContact O-N 3.12Å; L59-L82 HydrophobicContact CD1-CD2 3.85Å; L59-L82 HydrophobicContact CD2-CD2 3.6Å; L59-L82 HydrophobicContact CG-CD2 4.4Å
60A73.9Confident76Confident42 Ų4254 Ų5435%0.34729%0.285SS..Hα-helixtrans-63.5-35.5174.300000112.7Q56 L57 H58 D85Q56-A60 WeakPolarHBondContact O-CB 3.47Å; Q56-A60 PolarHBondContact O-N 2.78Å; L57-A60 PolarHBondContact O-N 2.95Å; H58-A60 VanDerWaalsContact C-N 3.29Å; H58-A60 PolarHBondContact O-N 3.25Å; A60-D85 VanDerWaalsContact CA-O 3.24Å; A60-D85 WeakPolarHBondContact CA-O 3.42Å; A60-D85 WeakPolarHBondContact CB-O 3.37Å
61G73.2Confident75.4Confident56 Ų5652.7 Ų52.758%0.57728%0.275SS*.THydrogen-bonded Turntrans-83.9-2.217600000115.3L57 H58 L59 R63L57-G61 PolarHBondContact O-N 3.22Å; L57-G61 VanDerWaalsContact O-N 3.15Å; H58-G61 CarbonylContact O-C 3.53Å; H58-G61 WeakPolarHBondContact O-CA 3.49Å; H58-G61 PolarHBondContact O-N 3.27Å; H58-G61 VanDerWaalsContact O-N 3.08Å; L59-G61 VanDerWaalsContact C-N 3.29Å; L59-G61 PolarHBondContact O-N 3.25Å; G61-R63 PolarHBondContact O-N 3.34Å
62L76Confident74.9Confident19 Ų1956.6 Ų56.610%0.09930%0.304CS..  trans-68.2130-178.8-77.2-179.2000111.2L38 H58 L59 G88 L89L38-L62 HydrophobicContact CD2-CD1 3.9Å; H58-L62 WeakPolarHBondContact O-CG 3.41Å; H58-L62 PolarHBondContact O-N 3.17Å; H58-L62 VanDerWaalsContact O-N 3.08Å; L59-L62 HydrophobicContact CD2-CD1 3.57Å; L59-L62 WeakPolarHBondContact O-CB 3.21Å; L59-L62 PolarHBondContact O-N 3.12Å; L62-G88 CarbonylContact O-C 3.49Å; L62-L89 HydrophobicContact CB-CD2 4.24Å; L62-L89 WeakPolarHBondContact O-CD2 3.34Å
63R83.5Confident74.5Confident161 Ų16158.6 Ų58.661%0.60832%0.318SS*.SBendtrans-96.3-21.8172.7-61.6-176.6-177.4-148.5-0.1112.5G61 Q90 E91G61-R63 PolarHBondContact O-N 3.34Å; R63-Q90 HydrophobicContact CB-CG 4.25Å; R63-Q90 CarbonylContact O-C 3.55Å; R63-Q90 WeakPolarHBondContact O-CA 3.43Å; R63-Q90 WeakPolarHBondContact O-CB 3.46Å; R63-Q90 PolarHBondContact O-N 3.15Å; R63-E91 PolarHBondContact O-N 2.64Å
64R84.5Confident74.4Confident161 Ų16155.7 Ų55.761%0.60830%0.297SS*.EExtended strand (participates in β ladder)trans-134.6126.2-175.3-57.2-174.8169.1171-13.1109E91R64-E91 CarbonylContact C-O 3.48Å; R64-E91 WeakPolarHBondContact CA-O 3.5Å; R64-E91 HydrophobicContact CB-CB 4.22Å; R64-E91 VanDerWaalsContact CD-OE2 3.22Å; R64-E91 WeakPolarHBondContact CD-OE2 3.28Å; R64-E91 HydrophobicContact CG-CB 3.92Å; R64-E91 HydrophobicContact CG-CG 4.02Å; R64-E91 IonicContact CZ-OE1 2.74Å; R64-E91 IonicContact CZ-OE2 3.12Å; R64-E91 IonicContact NE-OE1 3.27Å; R64-E91 PolarHBondContact NE-OE1 3.15Å; R64-E91 IonicContact NE-OE2 2.81Å; R64-E91 PolarHBondContact NE-OE2 3.24Å; R64-E91 IonicContact NH2-OE1 3.01Å; R64-E91 PolarHBondContact NH2-OE1 3.48Å; R64-E91 IonicContact NH2-OE2 2.75Å
65F85.3Confident74.6Confident5 Ų559 Ų592%0.02232%0.32CS..EExtended strand (participates in β ladder)trans-123.3118.7173-176.9-92.4000109.2L38 A67 V70 I74 L79 L82 L83 L89 E91 L92 A93 L94L38-F65 HydrophobicContact CD1-CD2 3.86Å; L38-F65 HydrophobicContact CD1-CE2 3.81Å; F65-A67 HydrophobicContact CE1-CB 4.13Å; F65-V70 HydrophobicContact CE2-CG2 4.33Å; F65-V70 HydrophobicContact CZ-CG2 4.11Å; F65-I74 HydrophobicContact CZ-CD1 4.42Å; F65-L79 HydrophobicContact CE1-CD1 4.06Å; F65-L79 HydrophobicContact CZ-CD1 4.36Å; F65-L82 HydrophobicContact CE2-CB 4.12Å; F65-L82 HydrophobicContact CE2-CD1 3.9Å; F65-L82 HydrophobicContact CE2-CG 4.48Å; F65-L82 HydrophobicContact CZ-CD1 3.99Å; F65-L83 HydrophobicContact CB-CD2 4.36Å; F65-L83 HydrophobicContact CD1-CD2 4.04Å; F65-L83 HydrophobicContact CD2-CD2 4.1Å; F65-L83 HydrophobicContact CE1-CD2 4.34Å; F65-L83 HydrophobicContact CE2-CD2 4.42Å; F65-L83 HydrophobicContact CG-CD2 3.89Å; F65-L89 HydrophobicContact CB-CD1 4.48Å; F65-L89 HydrophobicContact CB-CD2 3.79Å; F65-E91 PolarHBondContact N-O 3.32Å; F65-L92 HydrophobicContact CB-CD1 4.14Å; F65-L92 HydrophobicContact CD1-CD1 3.75Å; F65-L92 HydrophobicContact CG-CD1 4.33Å; F65-L92 CarbonylContact O-C 3.21Å; F65-L92 WeakPolarHBondContact O-CA 3.18Å; F65-A93 PolarHBondContact O-N 3.34Å; F65-L94 HydrophobicContact CD1-CD2 4.06Å; F65-L94 HydrophobicContact CE1-CD2 3.8Å
66D83.8Confident74.9Confident53 Ų5363.5 Ų63.528%0.28334%0.337SS..EExtended strand (participates in β ladder)trans-121.4112.4174.2-177.3-1.8000109.6A68 Q69 A93D66-A68 PolarHBondContact O-N 3.06Å; D66-A68 WeakPolarHBondContact OD1-CB 3.4Å; D66-A68 PolarHBondContact OD1-N 2.84Å; D66-Q69 HydrophobicContact CB-CG 4.01Å; D66-Q69 WeakPolarHBondContact O-CB 3.25Å; D66-Q69 PolarHBondContact O-N 3.32Å; D66-Q69 VanDerWaalsContact O-N 3.11Å; D66-A93 HydrophobicContact CB-CB 4.32Å
67A80.4Confident75.1Confident0 Ų063.3 Ų63.30%035%0.348CS..Hα-helixtrans-61.5-28.2178.200000112.3F65 Q69 V70 G71 I74 A93 L94 P96F65-A67 HydrophobicContact CE1-CB 4.13Å; A67-Q69 PolarHBondContact O-N 3.39Å; A67-V70 PolarHBondContact O-N 2.74Å; A67-V70 VanDerWaalsContact O-N 3.1Å; A67-G71 PolarHBondContact O-N 2.91Å; A67-I74 HydrophobicContact CB-CD1 3.54Å; A67-A93 VanDerWaalsContact CB-O 3.28Å; A67-A93 WeakPolarHBondContact CB-O 3.47Å; A67-A93 PolarHBondContact N-O 2.91Å; A67-L94 HydrophobicContact CB-CD2 4.16Å; A67-P96 HydrophobicContact CB-CG 3.69Å
68A73.8Confident75.2Confident57 Ų5760.2 Ų60.247%0.47133%0.334SS..Hα-helixtrans-62.5-31.7176.800000111.7D66 V70 G71 P96D66-A68 PolarHBondContact O-N 3.06Å; D66-A68 WeakPolarHBondContact OD1-CB 3.4Å; D66-A68 PolarHBondContact OD1-N 2.84Å; A68-V70 VanDerWaalsContact C-N 3.34Å; A68-G71 PolarHBondContact O-N 2.75Å; A68-P96 HydrophobicContact CB-CG 4.11Å
69Q69.1Low75.5Confident127 Ų12759.5 Ų59.559%0.59333%0.331SS*.Hα-helixtrans-75.5-23177.4-61.6-167.28.800113.4D66 A67 G71D66-Q69 HydrophobicContact CB-CG 4.01Å; D66-Q69 WeakPolarHBondContact O-CB 3.25Å; D66-Q69 PolarHBondContact O-N 3.32Å; D66-Q69 VanDerWaalsContact O-N 3.11Å; A67-Q69 PolarHBondContact O-N 3.39Å; Q69-G71 VanDerWaalsContact C-N 3.33Å
70V65.9Low75.8Confident7 Ų761.3 Ų61.34%0.04235%0.346CS..Hα-helixtrans-74.6-32.2171.7-167.60000109.5L38 R39 L42 F65 A67 A68 I74L38-V70 HydrophobicContact CB-CG2 3.76Å; L38-V70 HydrophobicContact CD1-CG2 3.8Å; L38-V70 HydrophobicContact CG-CG2 4.44Å; R39-V70 PolarHBondContact NE-O 2.76Å; R39-V70 PolarHBondContact NH2-O 2.8Å; L42-V70 HydrophobicContact CD1-CG1 4.04Å; F65-V70 HydrophobicContact CE2-CG2 4.33Å; F65-V70 HydrophobicContact CZ-CG2 4.11Å; A67-V70 PolarHBondContact O-N 2.74Å; A67-V70 VanDerWaalsContact O-N 3.1Å; A68-V70 VanDerWaalsContact C-N 3.34Å; V70-I74 HydrophobicContact CB-CD1 3.4Å; V70-I74 VanDerWaalsContact CB-CD1 3.4Å; V70-I74 HydrophobicContact CB-CG1 3.65Å; V70-I74 HydrophobicContact CG1-CD1 3.86Å; V70-I74 HydrophobicContact CG1-CG1 3.74Å; V70-I74 HydrophobicContact CG2-CD1 3.54Å; V70-I74 HydrophobicContact CG2-CG1 4.33Å
71G62.3Low76Confident14 Ų1465.3 Ų65.314%0.14435%0.352CS..  trans124.5-174.4170.800000113.2A67 A68 Q69 Q73A67-G71 PolarHBondContact O-N 2.91Å; A68-G71 PolarHBondContact O-N 2.75Å; Q69-G71 VanDerWaalsContact C-N 3.33Å; G71-Q73 VanDerWaalsContact C-N 3.27Å; G71-Q73 PolarHBondContact O-N 2.91Å; G71-Q73 VanDerWaalsContact O-N 3.13Å
72P62.3Low76.2Confident114 Ų11462.8 Ų62.874%0.7433%0.325SS*.SBendtrans-67.4-22.2-16124.1-34.6000114.9
73Q65.9Low76.5Confident157 Ų15762.1 Ų62.173%0.73432%0.322SS*.  trans-140.3105.5176.2-70.6-179.87.700109.6G71G71-Q73 VanDerWaalsContact C-N 3.27Å; G71-Q73 PolarHBondContact O-N 2.91Å; G71-Q73 VanDerWaalsContact O-N 3.13Å
74I74.8Confident76.2Confident3 Ų361.8 Ų61.82%0.01532%0.32CS..  trans-90.9126.5164.6-53.5178.8000106.9F65 A67 V70 A78 L79 W100F65-I74 HydrophobicContact CZ-CD1 4.42Å; A67-I74 HydrophobicContact CB-CD1 3.54Å; V70-I74 HydrophobicContact CB-CD1 3.4Å; V70-I74 VanDerWaalsContact CB-CD1 3.4Å; V70-I74 HydrophobicContact CB-CG1 3.65Å; V70-I74 HydrophobicContact CG1-CD1 3.86Å; V70-I74 HydrophobicContact CG1-CG1 3.74Å; V70-I74 HydrophobicContact CG2-CD1 3.54Å; V70-I74 HydrophobicContact CG2-CG1 4.33Å; I74-A78 HydrophobicContact CG2-CB 4Å; I74-L79 HydrophobicContact CG2-CB 4.18Å; I74-W100 VanDerWaalsContact O-CE2 3.24Å; I74-W100 WeakPolarHBondContact O-CZ2 3.23Å; I74-W100 PolarHBondContact O-NE1 2.74Å
75P78.6Confident75.9Confident86 Ų8656.1 Ų56.156%0.55830%0.302SS*.  trans-72.4144.817226.3-29.8000110.8A77 A78 L79P75-A77 VanDerWaalsContact C-N 3.26Å; P75-A77 PolarHBondContact O-N 2.83Å; P75-A77 VanDerWaalsContact O-N 3.12Å; P75-A78 HydrophobicContact CG-CB 3.79Å; P75-A78 WeakPolarHBondContact O-CA 3.45Å; P75-A78 WeakPolarHBondContact O-CB 3.48Å; P75-A78 PolarHBondContact O-N 3.34Å; P75-L79 PolarHBondContact O-N 3.45Å
76R81.5Confident75.5Confident97 Ų9756 Ų5637%0.36630%0.302SS..Hα-helixtrans-45.6-46.3-179.8-176.8170176162.22.6114.1A78 L79 A80 W100 E104 D105R76-A78 VanDerWaalsContact C-N 3.29Å; R76-A78 PolarHBondContact O-N 2.91Å; R76-L79 PolarHBondContact O-N 3.11Å; R76-A80 WeakPolarHBondContact O-CB 3.37Å; R76-A80 PolarHBondContact O-N 3.28Å; R76-W100 HydrophobicContact CB-CD2 4.11Å; R76-W100 HydrophobicContact CB-CE3 3.56Å; R76-W100 HydrophobicContact CB-CH2 4.2Å; R76-W100 HydrophobicContact CB-CZ3 3.63Å; R76-W100 HydrophobicContact CG-CE3 3.75Å; R76-W100 HydrophobicContact CG-CZ3 3.65Å; R76-E104 IonicContact NH2-OE2 2.74Å; R76-E104 PolarHBondContact NH2-OE2 3.23Å; R76-D105 VanDerWaalsContact CD-OD2 3.32Å; R76-D105 WeakPolarHBondContact CD-OD2 3.32Å; R76-D105 VanDerWaalsContact CZ-CG 3.44Å; R76-D105 IonicContact CZ-OD1 3.13Å; R76-D105 IonicContact CZ-OD2 3.06Å; R76-D105 IonicContact NE-OD1 2.75Å; R76-D105 PolarHBondContact NE-OD1 2.9Å; R76-D105 IonicContact NE-OD2 2.81Å; R76-D105 PolarHBondContact NE-OD2 2.77Å; R76-D105 IonicContact NH1-OD2 3.71Å; R76-D105 IonicContact NH2-OD1 3.98Å; R76-D105 PolarHBondContact NH2-OD1 2.83Å; R76-D105 IonicContact NH2-OD2 3.94Å; R76-D105 PolarHBondContact NH2-OD2 2.82Å
77A78.3Confident75.4Confident69 Ų6959.4 Ų59.457%0.5732%0.316SS*.Hα-helixtrans-63.7-31.6179.200000113.7P75 R81P75-A77 VanDerWaalsContact C-N 3.26Å; P75-A77 PolarHBondContact O-N 2.83Å; P75-A77 VanDerWaalsContact O-N 3.12Å; A77-R81 WeakPolarHBondContact O-CB 3.46Å; A77-R81 WeakPolarHBondContact O-CD 2.98Å; A77-R81 WeakPolarHBondContact O-CG 3.33Å; A77-R81 PolarHBondContact O-N 3.48Å
78A77.5Confident75.5Confident19 Ų1960.7 Ų60.716%0.15733%0.33CS..Hα-helixtrans-73-44176.700000110.9I74 P75 R76 R81 L82I74-A78 HydrophobicContact CG2-CB 4Å; P75-A78 HydrophobicContact CG-CB 3.79Å; P75-A78 WeakPolarHBondContact O-CA 3.45Å; P75-A78 WeakPolarHBondContact O-CB 3.48Å; P75-A78 PolarHBondContact O-N 3.34Å; R76-A78 VanDerWaalsContact C-N 3.29Å; R76-A78 PolarHBondContact O-N 2.91Å; A78-R81 PolarHBondContact O-N 2.95Å; A78-L82 WeakPolarHBondContact O-CB 3.46Å; A78-L82 VanDerWaalsContact O-CG 3.23Å; A78-L82 WeakPolarHBondContact O-CG 3.29Å; A78-L82 PolarHBondContact O-N 3.43Å
79L80.8Confident76.2Confident2 Ų258 Ų581%0.0131%0.308CS..Hα-helixtrans-58.4-49.9175.2-171.5111.4000111.3F65 I74 P75 R76 R81 L82 L83 L94 W100 L101F65-L79 HydrophobicContact CE1-CD1 4.06Å; F65-L79 HydrophobicContact CZ-CD1 4.36Å; I74-L79 HydrophobicContact CG2-CB 4.18Å; P75-L79 PolarHBondContact O-N 3.45Å; R76-L79 PolarHBondContact O-N 3.11Å; L79-R81 PolarHBondContact O-N 3.37Å; L79-L82 PolarHBondContact O-N 3.11Å; L79-L82 VanDerWaalsContact O-N 3.07Å; L79-L83 HydrophobicContact CD1-CD1 4.1Å; L79-L83 HydrophobicContact CD2-CD1 3.69Å; L79-L83 HydrophobicContact CG-CD1 3.64Å; L79-L83 HydrophobicContact CG-CG 4.34Å; L79-L83 PolarHBondContact O-N 3.17Å; L79-L94 HydrophobicContact CD1-CD2 3.59Å; L79-W100 HydrophobicContact CB-CH2 3.63Å; L79-W100 HydrophobicContact CB-CZ2 4.4Å; L79-W100 HydrophobicContact CD1-CH2 4.13Å; L79-W100 HydrophobicContact CD2-CH2 3.87Å; L79-W100 HydrophobicContact CD2-CZ3 4.28Å; L79-W100 HydrophobicContact CG-CH2 4.06Å; L79-L101 HydrophobicContact CD2-CD1 4.22Å
80A80.7Confident77.2Confident38 Ų3854 Ų5431%0.31429%0.289SS..Hα-helixtrans-57.8-37178.100000111.9R76 R84R76-A80 WeakPolarHBondContact O-CB 3.37Å; R76-A80 PolarHBondContact O-N 3.28Å; A80-R84 WeakPolarHBondContact O-CB 3.37Å; A80-R84 PolarHBondContact O-N 3.08Å
81R77.9Confident78.4Confident127 Ų12756 Ų5648%0.47930%0.297SS..Hα-helixtrans-72.6-37176-74.8170.662.2153.90.5113.2A77 A78 L79A77-R81 WeakPolarHBondContact O-CB 3.46Å; A77-R81 WeakPolarHBondContact O-CD 2.98Å; A77-R81 WeakPolarHBondContact O-CG 3.33Å; A77-R81 PolarHBondContact O-N 3.48Å; A78-R81 PolarHBondContact O-N 2.95Å; L79-R81 PolarHBondContact O-N 3.37Å
82L77.1Confident79.7Confident3 Ų355.4 Ų55.42%0.01629%0.291CS..Hα-helixtrans-67.7-43.3179.5-75165.4000111.5L42 L59 F65 A78 L79L42-L82 HydrophobicContact CD1-CD1 3.92Å; L42-L82 HydrophobicContact CD1-CD2 4.41Å; L42-L82 HydrophobicContact CD2-CD1 4.22Å; L42-L82 HydrophobicContact CD2-CD2 3.57Å; L42-L82 HydrophobicContact CD2-CG 3.89Å; L42-L82 HydrophobicContact CG-CD1 4.37Å; L42-L82 HydrophobicContact CG-CD2 3.95Å; L42-L82 HydrophobicContact CG-CG 4.45Å; L59-L82 HydrophobicContact CD1-CD2 3.85Å; L59-L82 HydrophobicContact CD2-CD2 3.6Å; L59-L82 HydrophobicContact CG-CD2 4.4Å; F65-L82 HydrophobicContact CE2-CB 4.12Å; F65-L82 HydrophobicContact CE2-CD1 3.9Å; F65-L82 HydrophobicContact CE2-CG 4.48Å; F65-L82 HydrophobicContact CZ-CD1 3.99Å; A78-L82 WeakPolarHBondContact O-CB 3.46Å; A78-L82 VanDerWaalsContact O-CG 3.23Å; A78-L82 WeakPolarHBondContact O-CG 3.29Å; A78-L82 PolarHBondContact O-N 3.43Å; L79-L82 PolarHBondContact O-N 3.11Å; L79-L82 VanDerWaalsContact O-N 3.07Å
83L81.4Confident81Confident4 Ų451 Ų512%0.02127%0.265CS..Hα-helixtrans-89.1-12-176.2-56.6175.1000112.7F65 L79 D85 A86 L89 L92 V109 R112F65-L83 HydrophobicContact CB-CD2 4.36Å; F65-L83 HydrophobicContact CD1-CD2 4.04Å; F65-L83 HydrophobicContact CD2-CD2 4.1Å; F65-L83 HydrophobicContact CE1-CD2 4.34Å; F65-L83 HydrophobicContact CE2-CD2 4.42Å; F65-L83 HydrophobicContact CG-CD2 3.89Å; L79-L83 HydrophobicContact CD1-CD1 4.1Å; L79-L83 HydrophobicContact CD2-CD1 3.69Å; L79-L83 HydrophobicContact CG-CD1 3.64Å; L79-L83 HydrophobicContact CG-CG 4.34Å; L79-L83 PolarHBondContact O-N 3.17Å; L83-D85 VanDerWaalsContact C-N 3.27Å; L83-D85 PolarHBondContact O-N 3.37Å; L83-A86 PolarHBondContact O-N 3.29Å; L83-L89 HydrophobicContact CD2-CD1 3.73Å; L83-L92 HydrophobicContact CD1-CD1 4.41Å; L83-L92 HydrophobicContact CD2-CD1 4.3Å; L83-V109 HydrophobicContact CB-CG1 4.17Å; L83-V109 HydrophobicContact CB-CG2 3.63Å; L83-V109 HydrophobicContact CD1-CG1 4.06Å; L83-V109 HydrophobicContact CD1-CG2 3.8Å; L83-V109 HydrophobicContact CG-CG1 4.48Å; L83-V109 HydrophobicContact CG-CG2 4.34Å; L83-R112 PolarHBondContact O-NH1 2.84Å
84R79.1Confident82Confident154 Ų15443.6 Ų43.658%0.58123%0.23SC*.Hα-helixtrans-59.6-34.3175.8178.1-170.9-55.9-95.7-3.8113.3A80 R112A80-R84 WeakPolarHBondContact O-CB 3.37Å; A80-R84 PolarHBondContact O-N 3.08Å; R84-R112 VanDerWaalsContact C-NH1 3.26Å; R84-R112 PolarHBondContact O-NH1 3.13Å; R84-R112 PolarHBondContact O-NH2 3.26Å
85D76.7Confident82.1Confident42 Ų4245.4 Ų45.423%0.22525%0.245CC..SBendtrans-105.2-2.6-176.6-60.8-28.2000111.6Q56 A60 L83 E87Q56-D85 PolarHBondContact NE2-OD2 2.9Å; A60-D85 VanDerWaalsContact CA-O 3.24Å; A60-D85 WeakPolarHBondContact CA-O 3.42Å; A60-D85 WeakPolarHBondContact CB-O 3.37Å; L83-D85 VanDerWaalsContact C-N 3.27Å; L83-D85 PolarHBondContact O-N 3.37Å; D85-E87 PolarHBondContact O-N 3.06Å
86A78.2Confident81.9Confident2 Ų243.3 Ų43.32%0.01723%0.232CC..  trans-79.6113.7-179.300000111.2L83 L89 R112 N113L83-A86 PolarHBondContact O-N 3.29Å; A86-L89 HydrophobicContact CB-CD1 3.59Å; A86-L89 HydrophobicContact CB-CG 3.94Å; A86-R112 PolarHBondContact O-NH1 3.26Å; A86-N113 PolarHBondContact O-ND2 2.74Å
87E80.6Confident81.6Confident125 Ų12538.7 Ų38.758%0.58421%0.214SC*.  trans-116.7-13.4-179.6-64.7-172.6169.200112.9D85 R112 N113D85-E87 PolarHBondContact O-N 3.06Å; E87-R112 VanDerWaalsContact CG-NH2 3.33Å; E87-R112 IonicContact OE1-CZ 3.23Å; E87-R112 IonicContact OE1-NE 3.4Å; E87-R112 IonicContact OE1-NH2 2.87Å; E87-R112 PolarHBondContact OE1-NH2 3.31Å; E87-N113 WeakPolarHBondContact CA-ND2 3.23Å; E87-N113 PolarHBondContact O-ND2 2.74Å
88G83.8Confident81.5Confident28 Ų2839.1 Ų39.129%0.28920%0.204SC..  trans-112.218.6-175.700000116.1L62 Q90L62-G88 CarbonylContact O-C 3.49Å; G88-Q90 PolarHBondContact O-N 2.91Å
89L86.9Confident81.6Confident1 Ų145.4 Ų45.41%0.00523%0.23CC..  trans-65.4133.8-175.3-74.4168.1000112L62 F65 L83 A86 N113 Q115 L116L62-L89 HydrophobicContact CB-CD2 4.24Å; L62-L89 WeakPolarHBondContact O-CD2 3.34Å; F65-L89 HydrophobicContact CB-CD1 4.48Å; F65-L89 HydrophobicContact CB-CD2 3.79Å; L83-L89 HydrophobicContact CD2-CD1 3.73Å; A86-L89 HydrophobicContact CB-CD1 3.59Å; A86-L89 HydrophobicContact CB-CG 3.94Å; L89-N113 HydrophobicContact CB-CB 4.21Å; L89-Q115 CarbonylContact O-C 3.55Å; L89-L116 HydrophobicContact CB-CD2 3.95Å; L89-L116 WeakPolarHBondContact O-CA 3.28Å; L89-L116 PolarHBondContact O-N 2.9Å
90Q90.8Very high81.8Confident43 Ų4348.4 Ų48.420%0.20124%0.242CC..SBendtrans-112.5-32.3175.9-59-176.64.400111.2R63 G88 R117 S118R63-Q90 HydrophobicContact CB-CG 4.25Å; R63-Q90 CarbonylContact O-C 3.55Å; R63-Q90 WeakPolarHBondContact O-CA 3.43Å; R63-Q90 WeakPolarHBondContact O-CB 3.46Å; R63-Q90 PolarHBondContact O-N 3.15Å; G88-Q90 PolarHBondContact O-N 2.91Å; Q90-R117 WeakPolarHBondContact O-CA 3.46Å; Q90-R117 PolarHBondContact O-N 3.44Å; Q90-S118 PolarHBondContact O-N 3.35Å
91E90.6Very high82.1Confident47 Ų4746.6 Ų46.622%0.2223%0.227CC..EExtended strand (participates in β ladder)trans-130128.2178.5-53.8177.1-163.600109.9R63 R64 F65 S118 R144R63-E91 PolarHBondContact O-N 2.64Å; R64-E91 CarbonylContact C-O 3.48Å; R64-E91 WeakPolarHBondContact CA-O 3.5Å; R64-E91 HydrophobicContact CB-CB 4.22Å; R64-E91 VanDerWaalsContact CD-OE2 3.22Å; R64-E91 WeakPolarHBondContact CD-OE2 3.28Å; R64-E91 HydrophobicContact CG-CB 3.92Å; R64-E91 HydrophobicContact CG-CG 4.02Å; R64-E91 IonicContact CZ-OE1 2.74Å; R64-E91 IonicContact CZ-OE2 3.12Å; R64-E91 IonicContact NE-OE1 3.27Å; R64-E91 PolarHBondContact NE-OE1 3.15Å; R64-E91 IonicContact NE-OE2 2.81Å; R64-E91 PolarHBondContact NE-OE2 3.24Å; R64-E91 IonicContact NH2-OE1 3.01Å; R64-E91 PolarHBondContact NH2-OE1 3.48Å; R64-E91 IonicContact NH2-OE2 2.75Å; F65-E91 PolarHBondContact N-O 3.32Å; E91-S118 CarbonylContact C-O 3.53Å; E91-S118 VanDerWaalsContact CA-O 3.29Å; E91-S118 WeakPolarHBondContact CA-O 3.41Å; E91-R144 IonicContact OE1-NH2 2.82Å
92L90.5Very high82.7Confident3 Ų341.6 Ų41.62%0.01621%0.211CC..EExtended strand (participates in β ladder)trans-132.7113.3-177.8177.964.6000109.5F65 L83 L94 L106 V109 L110 L116 S118 V119 A120F65-L92 HydrophobicContact CB-CD1 4.14Å; F65-L92 HydrophobicContact CD1-CD1 3.75Å; F65-L92 HydrophobicContact CG-CD1 4.33Å; F65-L92 CarbonylContact O-C 3.21Å; F65-L92 WeakPolarHBondContact O-CA 3.18Å; L83-L92 HydrophobicContact CD1-CD1 4.41Å; L83-L92 HydrophobicContact CD2-CD1 4.3Å; L92-L94 HydrophobicContact CD1-CD1 4.17Å; L92-L94 HydrophobicContact CD1-CD2 3.89Å; L92-L94 HydrophobicContact CD1-CG 3.91Å; L92-L94 HydrophobicContact CD2-CD1 4.1Å; L92-L94 HydrophobicContact CG-CD1 4.14Å; L92-L94 HydrophobicContact CG-CG 4Å; L92-L106 HydrophobicContact CD2-CD1 4.18Å; L92-V109 HydrophobicContact CD2-CG1 4.12Å; L92-L110 HydrophobicContact CD2-CD2 4.4Å; L92-L116 HydrophobicContact CB-CD2 3.8Å; L92-S118 PolarHBondContact N-O 3.23Å; L92-V119 HydrophobicContact CB-CG2 4.48Å; L92-V119 CarbonylContact O-C 3.5Å; L92-V119 VanDerWaalsContact O-CA 3.32Å; L92-V119 WeakPolarHBondContact O-CA 3.12Å; L92-A120 PolarHBondContact O-N 3.01Å
93A89.3Confident83.2Confident22 Ų2242.6 Ų42.618%0.18222%0.217CC..EExtended strand (participates in β ladder)trans-116.8118.417500000110.5F65 D66 A67 A120F65-A93 PolarHBondContact O-N 3.34Å; D66-A93 HydrophobicContact CB-CB 4.32Å; A67-A93 VanDerWaalsContact CB-O 3.28Å; A67-A93 WeakPolarHBondContact CB-O 3.47Å; A67-A93 PolarHBondContact N-O 2.91Å; A93-A120 HydrophobicContact CB-CB 4.12Å
94L86.6Confident83.5Confident1 Ų149.3 Ų49.31%0.00525%0.248CC..  trans-123.811.1-176.4-60179.8000113.4F65 A67 L79 L92 P96 C97 L101 L106 A120 L121F65-L94 HydrophobicContact CD1-CD2 4.06Å; F65-L94 HydrophobicContact CE1-CD2 3.8Å; A67-L94 HydrophobicContact CB-CD2 4.16Å; L79-L94 HydrophobicContact CD1-CD2 3.59Å; L92-L94 HydrophobicContact CD1-CD1 4.17Å; L92-L94 HydrophobicContact CD1-CD2 3.89Å; L92-L94 HydrophobicContact CD1-CG 3.91Å; L92-L94 HydrophobicContact CD2-CD1 4.1Å; L92-L94 HydrophobicContact CG-CD1 4.14Å; L92-L94 HydrophobicContact CG-CG 4Å; L94-P96 VanDerWaalsContact C-N 3.33Å; L94-P96 VanDerWaalsContact O-N 3.16Å; L94-C97 WeakPolarHBondContact O-CB 3.16Å; L94-C97 PolarHBondContact O-N 3.31Å; L94-L101 HydrophobicContact CB-CD2 3.92Å; L94-L101 HydrophobicContact CD1-CD1 4.21Å; L94-L101 HydrophobicContact CD1-CD2 3.86Å; L94-L106 HydrophobicContact CD1-CD1 3.77Å; L94-A120 PolarHBondContact N-O 2.8Å; L94-L121 HydrophobicContact CB-CD2 4.18Å; L94-L121 HydrophobicContact CD1-CD2 4.11Å
95A78.1Confident83.9Confident41 Ų4143.1 Ų43.134%0.33923%0.226SC..G310 helixtrans-47.4-40.9178.900000115.5C97 H98 G122A95-C97 PolarHBondContact O-N 3.14Å; A95-H98 WeakPolarHBondContact O-CB 3.46Å; A95-H98 PolarHBondContact O-N 3.28Å; A95-H98 PolarHBondContact O-ND1 3.21Å; A95-G122 WeakPolarHBondContact CA-O 3.26Å
96P72.7Confident84.5Confident41 Ų4141.1 Ų41.127%0.26622%0.216SC..G310 helixtrans-75-5.8177.924.6-27.5000114.4A67 A68 L94A67-P96 HydrophobicContact CB-CG 3.69Å; A68-P96 HydrophobicContact CB-CG 4.11Å; L94-P96 VanDerWaalsContact C-N 3.33Å; L94-P96 VanDerWaalsContact O-N 3.16Å
97C76.4Confident85.1Confident1 Ų143.5 Ų43.51%0.00723%0.23CC..G310 helixtrans-95.211.4177.1-62.10000113.1L94 A95 E99 W100 L101L94-C97 WeakPolarHBondContact O-CB 3.16Å; L94-C97 PolarHBondContact O-N 3.31Å; A95-C97 PolarHBondContact O-N 3.14Å; C97-E99 PolarHBondContact O-N 3.34Å; C97-E99 VanDerWaalsContact O-N 3.11Å; C97-W100 HydrophobicContact CB-CH2 4.19Å; C97-W100 HydrophobicContact CB-CZ2 3.7Å; C97-W100 PolarHBondContact O-N 3.05Å; C97-L101 HydrophobicContact CB-CB 4.34Å; C97-L101 VanDerWaalsContact O-CB 3.22Å; C97-L101 WeakPolarHBondContact O-CB 3.32Å; C97-L101 PolarHBondContact O-N 3.39Å; C97-L101 VanDerWaalsContact O-N 3.09Å
98H76.8Confident85.5Confident78 Ų7840.8 Ų40.836%0.36122%0.223SC..THydrogen-bonded Turntrans-58.7-26.2-169.861.7-88.6000116.2A95 G123 C124A95-H98 WeakPolarHBondContact O-CB 3.46Å; A95-H98 PolarHBondContact O-N 3.28Å; A95-H98 PolarHBondContact O-ND1 3.21Å; H98-G123 VanDerWaalsContact CB-C 3.42Å; H98-G123 VanDerWaalsContact CB-O 3.29Å; H98-G123 WeakPolarHBondContact CB-O 3.24Å; H98-C124 HydrophobicContact CB-CB 4.47Å
99E79.2Confident85.7Confident150 Ų15040 Ų4070%0.70121%0.212SC*.THydrogen-bonded Turntrans-71.5-32-177.5-68.9-168.7156.700113.9C97C97-E99 PolarHBondContact O-N 3.34Å; C97-E99 VanDerWaalsContact O-N 3.11Å
100W84.9Confident85.9Confident66 Ų6639.9 Ų39.925%0.2521%0.212CC..THydrogen-bonded Turntrans-124.6-10.4-172.961.2-100.3000114.5I74 R76 L79 C97 S102I74-W100 VanDerWaalsContact O-CE2 3.24Å; I74-W100 WeakPolarHBondContact O-CZ2 3.23Å; I74-W100 PolarHBondContact O-NE1 2.74Å; R76-W100 HydrophobicContact CB-CD2 4.11Å; R76-W100 HydrophobicContact CB-CE3 3.56Å; R76-W100 HydrophobicContact CB-CH2 4.2Å; R76-W100 HydrophobicContact CB-CZ3 3.63Å; R76-W100 HydrophobicContact CG-CE3 3.75Å; R76-W100 HydrophobicContact CG-CZ3 3.65Å; L79-W100 HydrophobicContact CB-CH2 3.63Å; L79-W100 HydrophobicContact CB-CZ2 4.4Å; L79-W100 HydrophobicContact CD1-CH2 4.13Å; L79-W100 HydrophobicContact CD2-CH2 3.87Å; L79-W100 HydrophobicContact CD2-CZ3 4.28Å; L79-W100 HydrophobicContact CG-CH2 4.06Å; C97-W100 HydrophobicContact CB-CH2 4.19Å; C97-W100 HydrophobicContact CB-CZ2 3.7Å; C97-W100 PolarHBondContact O-N 3.05Å; W100-S102 PolarHBondContact O-N 2.86Å
101L86.9Confident85.7Confident0 Ų041.1 Ų41.10%023%0.229CC..  trans-67.5115-176.7-176.471.9000111.3L79 L94 C97 D105 L121 Q126 L127L79-L101 HydrophobicContact CD2-CD1 4.22Å; L94-L101 HydrophobicContact CB-CD2 3.92Å; L94-L101 HydrophobicContact CD1-CD1 4.21Å; L94-L101 HydrophobicContact CD1-CD2 3.86Å; C97-L101 HydrophobicContact CB-CB 4.34Å; C97-L101 VanDerWaalsContact O-CB 3.22Å; C97-L101 WeakPolarHBondContact O-CB 3.32Å; C97-L101 PolarHBondContact O-N 3.39Å; C97-L101 VanDerWaalsContact O-N 3.09Å; L101-D105 HydrophobicContact CD1-CB 4.09Å; L101-L121 HydrophobicContact CD2-CD2 4.2Å; L101-Q126 WeakPolarHBondContact O-CB 3.39Å; L101-L127 HydrophobicContact CD2-CD1 4.31Å; L101-L127 HydrophobicContact CG-CD2 4.31Å
102S89.2Confident85.6Confident21 Ų2142.8 Ų42.815%0.14723%0.234CC..  trans-111.2168.217773.60000112.5W100 E104 D105 L106W100-S102 PolarHBondContact O-N 2.86Å; S102-E104 PolarHBondContact O-N 2.65Å; S102-D105 PolarHBondContact O-N 3.21Å; S102-D105 VanDerWaalsContact O-N 3.11Å; S102-L106 PolarHBondContact O-N 2.87Å
103D88.9Confident85.5Confident25 Ų2542.7 Ų42.713%0.13423%0.233CC..Hα-helixtrans-55.4-34.1177.3-61.6-66000112.2D105 L106 V107 S128 R130 A131D103-D105 VanDerWaalsContact C-N 3.26Å; D103-D105 PolarHBondContact O-N 3.38Å; D103-L106 PolarHBondContact O-N 3.32Å; D103-V107 HydrophobicContact CB-CG2 4.22Å; D103-V107 VanDerWaalsContact O-CB 3.23Å; D103-V107 WeakPolarHBondContact O-CB 3.47Å; D103-V107 WeakPolarHBondContact O-CG2 3.39Å; D103-V107 PolarHBondContact O-N 3.04Å; D103-S128 VanDerWaalsContact CG-OG 3.31Å; D103-S128 PolarHBondContact OD1-N 3.28Å; D103-S128 VanDerWaalsContact OD1-N 3.13Å; D103-S128 PolarHBondContact OD1-OG 3.29Å; D103-S128 VanDerWaalsContact OD2-CB 3.31Å; D103-S128 WeakPolarHBondContact OD2-CB 3.47Å; D103-S128 PolarHBondContact OD2-N 2.94Å; D103-S128 PolarHBondContact OD2-OG 2.87Å; D103-R130 HydrophobicContact CB-CB 4.32Å; D103-A131 VanDerWaalsContact OD1-CB 3.29Å; D103-A131 WeakPolarHBondContact OD1-CB 3.42Å; D103-A131 PolarHBondContact OD1-N 2.89Å
104E87.6Confident85.5Confident145 Ų14544.3 Ų44.368%0.67824%0.242SC*.Hα-helixtrans-63.8-30.9-179.4-64.4-176.9159.500113.4R76 S102 P108R76-E104 IonicContact NH2-OE2 2.74Å; R76-E104 PolarHBondContact NH2-OE2 3.23Å; S102-E104 PolarHBondContact O-N 2.65Å; E104-P108 WeakPolarHBondContact O-CD 3.45Å; E104-P108 VanDerWaalsContact O-CG 3.24Å; E104-P108 WeakPolarHBondContact O-CG 3.39Å
105D87.3Confident85.7Confident23 Ų2347.5 Ų47.512%0.12326%0.257CS..Hα-helixtrans-83.7-33.2178.7-61.7-40.4000111.4R76 L101 S102 D103 V109R76-D105 VanDerWaalsContact CD-OD2 3.32Å; R76-D105 WeakPolarHBondContact CD-OD2 3.32Å; R76-D105 VanDerWaalsContact CZ-CG 3.44Å; R76-D105 IonicContact CZ-OD1 3.13Å; R76-D105 IonicContact CZ-OD2 3.06Å; R76-D105 IonicContact NE-OD1 2.75Å; R76-D105 PolarHBondContact NE-OD1 2.9Å; R76-D105 IonicContact NE-OD2 2.81Å; R76-D105 PolarHBondContact NE-OD2 2.77Å; R76-D105 IonicContact NH1-OD2 3.71Å; R76-D105 IonicContact NH2-OD1 3.98Å; R76-D105 PolarHBondContact NH2-OD1 2.83Å; R76-D105 IonicContact NH2-OD2 3.94Å; R76-D105 PolarHBondContact NH2-OD2 2.82Å; L101-D105 HydrophobicContact CD1-CB 4.09Å; S102-D105 PolarHBondContact O-N 3.21Å; S102-D105 VanDerWaalsContact O-N 3.11Å; D103-D105 VanDerWaalsContact C-N 3.26Å; D103-D105 PolarHBondContact O-N 3.38Å; D105-V109 WeakPolarHBondContact O-CG2 3.32Å
106L88.6Confident86.3Confident1 Ų145.6 Ų45.61%0.00524%0.24CC..Hα-helixtrans-86.8-44.9-173.5-176.362.4000112.6L92 L94 S102 D103 V109 L110 L121 L127 A131L92-L106 HydrophobicContact CD2-CD1 4.18Å; L94-L106 HydrophobicContact CD1-CD1 3.77Å; S102-L106 PolarHBondContact O-N 2.87Å; D103-L106 PolarHBondContact O-N 3.32Å; L106-V109 WeakPolarHBondContact O-CB 3.27Å; L106-V109 PolarHBondContact O-N 2.83Å; L106-L110 HydrophobicContact CD1-CD1 4.29Å; L106-L110 HydrophobicContact CD1-CD2 4.12Å; L106-L110 HydrophobicContact CD1-CG 4.03Å; L106-L110 HydrophobicContact CD2-CD1 4.18Å; L106-L110 HydrophobicContact CG-CD1 3.76Å; L106-L110 HydrophobicContact CG-CD2 4.5Å; L106-L110 HydrophobicContact CG-CG 3.96Å; L106-L110 WeakPolarHBondContact O-CG 3.32Å; L106-L110 PolarHBondContact O-N 3.07Å; L106-L121 HydrophobicContact CD1-CD2 4.1Å; L106-L121 HydrophobicContact CD2-CD1 3.7Å; L106-L121 HydrophobicContact CD2-CD2 3.8Å; L106-L121 HydrophobicContact CD2-CG 4.41Å; L106-L127 HydrophobicContact CB-CD2 4.41Å; L106-L127 HydrophobicContact CD2-CD1 3.89Å; L106-L127 HydrophobicContact CD2-CD2 3.96Å; L106-A131 HydrophobicContact CD2-CB 3.95Å
107V90.6Very high87.3Confident51 Ų5148.2 Ų48.231%0.30925%0.245SC..Hα-helixtrans-54.6-45.7-175.7170.30000112.6D103 V109 L110 A111 A134D103-V107 HydrophobicContact CB-CG2 4.22Å; D103-V107 VanDerWaalsContact O-CB 3.23Å; D103-V107 WeakPolarHBondContact O-CB 3.47Å; D103-V107 WeakPolarHBondContact O-CG2 3.39Å; D103-V107 PolarHBondContact O-N 3.04Å; V107-V109 VanDerWaalsContact C-N 3.27Å; V107-V109 PolarHBondContact O-N 2.89Å; V107-L110 PolarHBondContact O-N 2.9Å; V107-A111 WeakPolarHBondContact O-CB 3.49Å; V107-A111 PolarHBondContact O-N 3.2Å; V107-A134 HydrophobicContact CB-CB 4.24Å; V107-A134 HydrophobicContact CG1-CB 4Å; V107-A134 HydrophobicContact CG2-CB 3.76Å
108P89.3Confident88.2Confident68 Ų6849.3 Ų49.344%0.44225%0.253SS..Hα-helixtrans-63.8-32.1177.6-21.834.2000113.3E104 R112E104-P108 WeakPolarHBondContact O-CD 3.45Å; E104-P108 VanDerWaalsContact O-CG 3.24Å; E104-P108 WeakPolarHBondContact O-CG 3.39Å; P108-R112 VanDerWaalsContact O-CG 3.27Å; P108-R112 WeakPolarHBondContact O-CG 3.13Å; P108-R112 PolarHBondContact O-N 3.18Å
109V88.8Confident88.9Confident11 Ų1145.7 Ų45.77%0.06724%0.236CC..Hα-helixtrans-70-48.7178.4179.50000109.6L83 L92 D105 L106 V107 A111 R112 N113L83-V109 HydrophobicContact CB-CG1 4.17Å; L83-V109 HydrophobicContact CB-CG2 3.63Å; L83-V109 HydrophobicContact CD1-CG1 4.06Å; L83-V109 HydrophobicContact CD1-CG2 3.8Å; L83-V109 HydrophobicContact CG-CG1 4.48Å; L83-V109 HydrophobicContact CG-CG2 4.34Å; L92-V109 HydrophobicContact CD2-CG1 4.12Å; D105-V109 WeakPolarHBondContact O-CG2 3.32Å; L106-V109 WeakPolarHBondContact O-CB 3.27Å; L106-V109 PolarHBondContact O-N 2.83Å; V107-V109 VanDerWaalsContact C-N 3.27Å; V107-V109 PolarHBondContact O-N 2.89Å; V109-A111 VanDerWaalsContact C-N 3.33Å; V109-A111 PolarHBondContact O-N 2.87Å; V109-R112 PolarHBondContact O-N 2.89Å; V109-R112 VanDerWaalsContact O-N 3.14Å; V109-N113 WeakPolarHBondContact CG1-OD1 3.46Å; V109-N113 PolarHBondContact O-N 3.1Å; V109-N113 PolarHBondContact O-OD1 2.93Å; V109-N113 VanDerWaalsContact O-OD1 3.05Å
110L89.8Confident89.5Confident0 Ų039.9 Ų39.90%021%0.214CC..Hα-helixtrans-60.3-42.4178.8-61.7177.8000112.2L92 L106 V107 R112 N113 L116 A134 L135L92-L110 HydrophobicContact CD2-CD2 4.4Å; L106-L110 HydrophobicContact CD1-CD1 4.29Å; L106-L110 HydrophobicContact CD1-CD2 4.12Å; L106-L110 HydrophobicContact CD1-CG 4.03Å; L106-L110 HydrophobicContact CD2-CD1 4.18Å; L106-L110 HydrophobicContact CG-CD1 3.76Å; L106-L110 HydrophobicContact CG-CD2 4.5Å; L106-L110 HydrophobicContact CG-CG 3.96Å; L106-L110 WeakPolarHBondContact O-CG 3.32Å; L106-L110 PolarHBondContact O-N 3.07Å; V107-L110 PolarHBondContact O-N 2.9Å; L110-R112 PolarHBondContact O-N 3.23Å; L110-N113 PolarHBondContact O-N 2.71Å; L110-L116 HydrophobicContact CD2-CD1 3.76Å; L110-A134 HydrophobicContact CD1-CB 4.05Å; L110-L135 HydrophobicContact CD1-CB 4.46Å; L110-L135 HydrophobicContact CD1-CD2 3.76Å; L110-L135 HydrophobicContact CD1-CG 3.61Å; L110-L135 HydrophobicContact CD2-CD2 3.49Å; L110-L135 VanDerWaalsContact CD2-CD2 3.49Å; L110-L135 HydrophobicContact CD2-CG 4.32Å; L110-L135 HydrophobicContact CG-CD2 4.19Å
111A88.5Confident89.7Confident68 Ų6836.7 Ų36.756%0.56220%0.202SC*.Hα-helixtrans-64.3-28.1178.900000113.2V107 V109V107-A111 WeakPolarHBondContact O-CB 3.49Å; V107-A111 PolarHBondContact O-N 3.2Å; V109-A111 VanDerWaalsContact C-N 3.33Å; V109-A111 PolarHBondContact O-N 2.87Å
112R88.1Confident89.7Confident83 Ų8337.4 Ų37.431%0.31321%0.209SC..Hα-helixtrans-90.4-10.4-179.4-70-177.869.2-124.313.4113.7L83 R84 A86 E87 P108 V109 L110 P114L83-R112 PolarHBondContact O-NH1 2.84Å; R84-R112 VanDerWaalsContact C-NH1 3.26Å; R84-R112 PolarHBondContact O-NH1 3.13Å; R84-R112 PolarHBondContact O-NH2 3.26Å; A86-R112 PolarHBondContact O-NH1 3.26Å; E87-R112 VanDerWaalsContact CG-NH2 3.33Å; E87-R112 IonicContact OE1-CZ 3.23Å; E87-R112 IonicContact OE1-NE 3.4Å; E87-R112 IonicContact OE1-NH2 2.87Å; E87-R112 PolarHBondContact OE1-NH2 3.31Å; P108-R112 VanDerWaalsContact O-CG 3.27Å; P108-R112 WeakPolarHBondContact O-CG 3.13Å; P108-R112 PolarHBondContact O-N 3.18Å; V109-R112 PolarHBondContact O-N 2.89Å; V109-R112 VanDerWaalsContact O-N 3.14Å; L110-R112 PolarHBondContact O-N 3.23Å; R112-P114 VanDerWaalsContact C-CD 3.41Å; R112-P114 VanDerWaalsContact O-CD 3.28Å; R112-P114 WeakPolarHBondContact O-CD 3.47Å
113N88.6Confident89.4Confident0 Ų037.5 Ų37.50%021%0.213CC..  trans-122.470.4-175.1-57.3137.9000112.5A86 E87 L89 V109 L110 Q115 L116A86-N113 PolarHBondContact O-ND2 2.74Å; E87-N113 WeakPolarHBondContact CA-ND2 3.23Å; E87-N113 PolarHBondContact O-ND2 2.74Å; L89-N113 HydrophobicContact CB-CB 4.21Å; V109-N113 WeakPolarHBondContact CG1-OD1 3.46Å; V109-N113 PolarHBondContact O-N 3.1Å; V109-N113 PolarHBondContact O-OD1 2.93Å; V109-N113 VanDerWaalsContact O-OD1 3.05Å; L110-N113 PolarHBondContact O-N 2.71Å; N113-Q115 PolarHBondContact O-N 3.11Å; N113-L116 HydrophobicContact CB-CD1 3.73Å; N113-L116 HydrophobicContact CB-CG 3.74Å; N113-L116 WeakPolarHBondContact O-CB 3.32Å; N113-L116 WeakPolarHBondContact O-CG 3.32Å; N113-L116 PolarHBondContact O-N 3.39Å; N113-L116 VanDerWaalsContact O-N 3.12Å
114P88.6Confident89.3Confident56 Ų5636.3 Ų36.336%0.36421%0.207SC..THydrogen-bonded Turntrans-68.8-7.3178.930.3-36.7000114.6R112 G138R112-P114 VanDerWaalsContact C-CD 3.41Å; R112-P114 VanDerWaalsContact O-CD 3.28Å; R112-P114 WeakPolarHBondContact O-CD 3.47Å; P114-G138 WeakPolarHBondContact CA-O 3.42Å; P114-G138 WeakPolarHBondContact CB-O 3.21Å
115Q90.1Very high89Confident69 Ų6932 Ų3232%0.32220%0.201SC..THydrogen-bonded Turntrans-924176.6-58.7-63.7-26.700113L89 N113 R117L89-Q115 CarbonylContact O-C 3.55Å; N113-Q115 PolarHBondContact O-N 3.11Å; Q115-R117 PolarHBondContact O-N 2.86Å
116L91.8Very high88.9Confident0 Ų037 Ų370%022%0.224CC..  trans-60.2127.9177.3-82.4169.6000110.8L89 L92 L110 N113 V119 C139 R141 L142L89-L116 HydrophobicContact CB-CD2 3.95Å; L89-L116 WeakPolarHBondContact O-CA 3.28Å; L89-L116 PolarHBondContact O-N 2.9Å; L92-L116 HydrophobicContact CB-CD2 3.8Å; L110-L116 HydrophobicContact CD2-CD1 3.76Å; N113-L116 HydrophobicContact CB-CD1 3.73Å; N113-L116 HydrophobicContact CB-CG 3.74Å; N113-L116 WeakPolarHBondContact O-CB 3.32Å; N113-L116 WeakPolarHBondContact O-CG 3.32Å; N113-L116 PolarHBondContact O-N 3.39Å; N113-L116 VanDerWaalsContact O-N 3.12Å; L116-V119 HydrophobicContact CB-CG2 4.37Å; L116-V119 HydrophobicContact CD1-CG2 4.22Å; L116-V119 HydrophobicContact CD2-CG2 4.28Å; L116-C139 HydrophobicContact CB-CB 4.24Å; L116-R141 CarbonylContact O-C 3.44Å; L116-R141 VanDerWaalsContact O-C 3.23Å; L116-L142 WeakPolarHBondContact O-CA 3.2Å; L116-L142 PolarHBondContact O-N 3.45Å
117R93.9Very high88.9Confident96 Ų9637.3 Ų37.336%0.36223%0.225SC..  trans-114-35178.4-61.7-177-178.2-143.52.7111.9Q90 Q115 Q143 R144Q90-R117 WeakPolarHBondContact O-CA 3.46Å; Q90-R117 PolarHBondContact O-N 3.44Å; Q115-R117 PolarHBondContact O-N 2.86Å; R117-Q143 HydrophobicContact CB-CG 4.42Å; R117-Q143 CarbonylContact O-C 3.56Å; R117-Q143 WeakPolarHBondContact O-CA 3.5Å; R117-Q143 PolarHBondContact O-N 2.85Å; R117-R144 PolarHBondContact O-N 3.28Å
118S93.7Very high88.7Confident24 Ų2436.6 Ų36.617%0.16822%0.222CC..EExtended strand (participates in β ladder)trans-128.4123-177.3-159.70000109.6Q90 E91 L92 R144Q90-S118 PolarHBondContact O-N 3.35Å; E91-S118 CarbonylContact C-O 3.53Å; E91-S118 VanDerWaalsContact CA-O 3.29Å; E91-S118 WeakPolarHBondContact CA-O 3.41Å; L92-S118 PolarHBondContact N-O 3.23Å; S118-R144 CarbonylContact C-O 3.23Å; S118-R144 WeakPolarHBondContact CA-O 3.18Å; S118-R144 PolarHBondContact OG-NE 2.82Å
119V93.3Very high88.6Confident2 Ų241.7 Ų41.71%0.01223%0.233CC..EExtended strand (participates in β ladder)trans-129.4126.1177.3174.40000109.4L92 L116 L121 L135 L142 R144 L145 S146L92-V119 HydrophobicContact CB-CG2 4.48Å; L92-V119 CarbonylContact O-C 3.5Å; L92-V119 VanDerWaalsContact O-CA 3.32Å; L92-V119 WeakPolarHBondContact O-CA 3.12Å; L116-V119 HydrophobicContact CB-CG2 4.37Å; L116-V119 HydrophobicContact CD1-CG2 4.22Å; L116-V119 HydrophobicContact CD2-CG2 4.28Å; V119-L121 HydrophobicContact CG1-CD1 3.88Å; V119-L121 HydrophobicContact CG1-CD2 4.21Å; V119-L121 HydrophobicContact CG1-CG 3.71Å; V119-L135 HydrophobicContact CB-CD2 4.41Å; V119-L135 HydrophobicContact CG1-CD2 4.18Å; V119-L135 HydrophobicContact CG2-CD2 4.08Å; V119-L142 HydrophobicContact CB-CD1 4.02Å; V119-L142 HydrophobicContact CG2-CD1 3.58Å; V119-R144 PolarHBondContact N-O 3.49Å; V119-L145 HydrophobicContact CB-CD1 3.98Å; V119-L145 HydrophobicContact CG1-CD1 3.99Å; V119-L145 CarbonylContact O-C 3.35Å; V119-L145 VanDerWaalsContact O-CA 3.32Å; V119-L145 WeakPolarHBondContact O-CA 3.47Å; V119-S146 PolarHBondContact O-N 3.1Å
120A92Very high88.6Confident28 Ų2850.1 Ų50.123%0.23126%0.264CS..EExtended strand (participates in β ladder)trans-121.4112.1176.400000110.3L92 A93 L94L92-A120 PolarHBondContact O-N 3.01Å; A93-A120 HydrophobicContact CB-CB 4.12Å; L94-A120 PolarHBondContact N-O 2.8Å
121L88.8Confident88.6Confident0 Ų050.1 Ų50.10%026%0.264CS..  trans-119.829.3-177.7-58.9170.6000111.4L94 L101 L106 V119 G123 C124 L127 L135 S146 L147 C150L94-L121 HydrophobicContact CB-CD2 4.18Å; L94-L121 HydrophobicContact CD1-CD2 4.11Å; L101-L121 HydrophobicContact CD2-CD2 4.2Å; L106-L121 HydrophobicContact CD1-CD2 4.1Å; L106-L121 HydrophobicContact CD2-CD1 3.7Å; L106-L121 HydrophobicContact CD2-CD2 3.8Å; L106-L121 HydrophobicContact CD2-CG 4.41Å; V119-L121 HydrophobicContact CG1-CD1 3.88Å; V119-L121 HydrophobicContact CG1-CD2 4.21Å; V119-L121 HydrophobicContact CG1-CG 3.71Å; L121-G123 PolarHBondContact O-N 2.97Å; L121-C124 WeakPolarHBondContact O-CB 3.47Å; L121-C124 PolarHBondContact O-N 3.37Å; L121-C124 PolarHBondContact O-SG 3.44Å; L121-L127 HydrophobicContact CB-CD1 4.23Å; L121-L127 HydrophobicContact CD1-CD1 4.11Å; L121-L127 HydrophobicContact CD2-CD1 4.34Å; L121-L127 HydrophobicContact CG-CD1 4.45Å; L121-L135 HydrophobicContact CD1-CD1 4.17Å; L121-S146 PolarHBondContact N-O 3.4Å; L121-L147 HydrophobicContact CB-CD2 4.2Å; L121-L147 HydrophobicContact CD1-CD2 4.21Å; L121-C150 PolarHBondContact O-SG 3.14Å
122G86.7Confident88.7Confident14 Ų1446.9 Ų46.914%0.14424%0.237CC..THydrogen-bonded Turntrans-56.9135.7-176.200000113.1A95 C124 A148A95-G122 WeakPolarHBondContact CA-O 3.26Å; G122-C124 PolarHBondContact O-N 3.42Å; G122-A148 CarbonylContact C-O 3.55Å; G122-A148 WeakPolarHBondContact CA-O 3.49Å
123G82.9Confident88.8Confident24 Ų2444.2 Ų44.225%0.24724%0.235CC..THydrogen-bonded Turntrans75.7-3175.700000115.5H98 L121 G125 A148H98-G123 VanDerWaalsContact CB-C 3.42Å; H98-G123 VanDerWaalsContact CB-O 3.29Å; H98-G123 WeakPolarHBondContact CB-O 3.24Å; L121-G123 PolarHBondContact O-N 2.97Å; G123-G125 PolarHBondContact O-N 3.07Å; G123-A148 PolarHBondContact N-O 3.34Å
124C85.6Confident88.9Confident0 Ų045 Ų450%024%0.241CC..  trans-70.883.9-171.8-65.40000112.3H98 L121 G122 Q126 L127 W152H98-C124 HydrophobicContact CB-CB 4.47Å; L121-C124 WeakPolarHBondContact O-CB 3.47Å; L121-C124 PolarHBondContact O-N 3.37Å; L121-C124 PolarHBondContact O-SG 3.44Å; G122-C124 PolarHBondContact O-N 3.42Å; C124-Q126 VanDerWaalsContact C-N 3.31Å; C124-Q126 PolarHBondContact O-N 3.23Å; C124-L127 HydrophobicContact CB-CD1 3.53Å; C124-L127 HydrophobicContact CB-CG 3.88Å; C124-L127 PolarHBondContact O-N 2.84Å; C124-W152 VanDerWaalsContact O-CD1 3.28Å; C124-W152 PolarHBondContact O-NE1 3.37Å
125G82.3Confident89Confident53 Ų5342.3 Ų42.355%0.54622%0.224SC..THydrogen-bonded Turntrans-73.3-13.6-173.200000116.2G123G123-G125 PolarHBondContact O-N 3.07Å
126Q85.4Confident89.1Confident129 Ų12939.2 Ų39.260%0.60321%0.21SC*.THydrogen-bonded Turntrans-92.7-0.9-179.6-65.5-65.2-45.100113.5L101 C124L101-Q126 WeakPolarHBondContact O-CB 3.39Å; C124-Q126 VanDerWaalsContact C-N 3.31Å; C124-Q126 PolarHBondContact O-N 3.23Å
127L87.9Confident89Confident7 Ų745.3 Ų45.34%0.03724%0.239CC..  trans-81.7160.7174.9-67.3-179.4000111.2L101 L106 L121 C124 A131 W152L101-L127 HydrophobicContact CD2-CD1 4.31Å; L101-L127 HydrophobicContact CG-CD2 4.31Å; L106-L127 HydrophobicContact CB-CD2 4.41Å; L106-L127 HydrophobicContact CD2-CD1 3.89Å; L106-L127 HydrophobicContact CD2-CD2 3.96Å; L121-L127 HydrophobicContact CB-CD1 4.23Å; L121-L127 HydrophobicContact CD1-CD1 4.11Å; L121-L127 HydrophobicContact CD2-CD1 4.34Å; L121-L127 HydrophobicContact CG-CD1 4.45Å; C124-L127 HydrophobicContact CB-CD1 3.53Å; C124-L127 HydrophobicContact CB-CG 3.88Å; C124-L127 PolarHBondContact O-N 2.84Å; L127-A131 HydrophobicContact CB-CB 4.46Å; L127-A131 HydrophobicContact CD2-CB 4.31Å; L127-W152 HydrophobicContact CB-CD2 3.96Å; L127-W152 VanDerWaalsContact CB-CE2 3.47Å; L127-W152 HydrophobicContact CB-CE3 4.35Å; L127-W152 HydrophobicContact CB-CH2 3.89Å; L127-W152 HydrophobicContact CB-CZ2 3.47Å; L127-W152 VanDerWaalsContact CB-CZ2 3.47Å; L127-W152 HydrophobicContact CB-CZ3 4.29Å; L127-W152 HydrophobicContact CD1-CH2 4.12Å; L127-W152 HydrophobicContact CD1-CZ2 3.66Å; L127-W152 HydrophobicContact CG-CZ2 4.21Å; L127-W152 WeakPolarHBondContact O-CB 3.09Å
128S87.6Confident88.7Confident36 Ų3641.3 Ų41.325%0.25223%0.228SC..  trans-134.3179.8177.577.30000111.9D103 R130 A131 W152D103-S128 VanDerWaalsContact CG-OG 3.31Å; D103-S128 PolarHBondContact OD1-N 3.28Å; D103-S128 VanDerWaalsContact OD1-N 3.13Å; D103-S128 PolarHBondContact OD1-OG 3.29Å; D103-S128 VanDerWaalsContact OD2-CB 3.31Å; D103-S128 WeakPolarHBondContact OD2-CB 3.47Å; D103-S128 PolarHBondContact OD2-N 2.94Å; D103-S128 PolarHBondContact OD2-OG 2.87Å; S128-R130 PolarHBondContact O-N 3Å; S128-R130 PolarHBondContact OG-N 3.37Å; S128-A131 WeakPolarHBondContact O-CB 3.47Å; S128-A131 PolarHBondContact O-N 2.99Å; S128-W152 VanDerWaalsContact C-CE3 3.44Å; S128-W152 WeakPolarHBondContact O-CZ3 3.39Å
129R86.6Confident88.6Confident176 Ų17640.2 Ų40.266%0.66422%0.22SC*.Hα-helixtrans-51.4-20.517263.9177.3-178.9-112.3-0.2114L132 G133 A157R129-L132 PolarHBondContact O-N 3.01Å; R129-G133 PolarHBondContact O-N 2.84Å; R129-A157 HydrophobicContact CB-CB 4.25Å
130R88.9Confident88.4Confident188 Ų18843 Ų4371%0.70924%0.238SC*.Hα-helixtrans-63-41174.7-71.1-177.8165.6175.3-2.8111.9D103 S128 L132 G133 A134D103-R130 HydrophobicContact CB-CB 4.32Å; S128-R130 PolarHBondContact O-N 3Å; S128-R130 PolarHBondContact OG-N 3.37Å; R130-L132 VanDerWaalsContact C-N 3.34Å; R130-L132 PolarHBondContact O-N 3.34Å; R130-G133 PolarHBondContact O-N 2.82Å; R130-A134 WeakPolarHBondContact O-CB 3.47Å; R130-A134 PolarHBondContact O-N 2.84Å
131A90.1Very high88.3Confident0 Ų047.9 Ų47.90%025%0.251CS..Hα-helixtrans-58.9-43.6174.300000112.3D103 L106 L127 S128 A134 L135 W152D103-A131 VanDerWaalsContact OD1-CB 3.29Å; D103-A131 WeakPolarHBondContact OD1-CB 3.42Å; D103-A131 PolarHBondContact OD1-N 2.89Å; L106-A131 HydrophobicContact CD2-CB 3.95Å; L127-A131 HydrophobicContact CB-CB 4.46Å; L127-A131 HydrophobicContact CD2-CB 4.31Å; S128-A131 WeakPolarHBondContact O-CB 3.47Å; S128-A131 PolarHBondContact O-N 2.99Å; A131-A134 PolarHBondContact O-N 2.87Å; A131-L135 WeakPolarHBondContact O-CG 3.47Å; A131-L135 PolarHBondContact O-N 2.98Å; A131-W152 HydrophobicContact CB-CH2 4.23Å; A131-W152 HydrophobicContact CB-CZ3 4.33Å
132L90Very high88.5Confident0 Ų047.9 Ų47.90%025%0.251CS..Hα-helixtrans-65.9-40.7177.1-73.7166.4000112.3R129 R130 A134 L135 A136 L145 L147 W152 V153 A157 L158 L161R129-L132 PolarHBondContact O-N 3.01Å; R130-L132 VanDerWaalsContact C-N 3.34Å; R130-L132 PolarHBondContact O-N 3.34Å; L132-A134 VanDerWaalsContact C-N 3.34Å; L132-L135 HydrophobicContact CD2-CD1 4.29Å; L132-L135 WeakPolarHBondContact O-CB 3.47Å; L132-L135 PolarHBondContact O-N 3.29Å; L132-A136 WeakPolarHBondContact O-CB 3.48Å; L132-A136 PolarHBondContact O-N 3.23Å; L132-L145 HydrophobicContact CD2-CD2 4.41Å; L132-L147 HydrophobicContact CD2-CD1 3.77Å; L132-W152 HydrophobicContact CD1-CE3 4.41Å; L132-W152 HydrophobicContact CD1-CZ3 3.79Å; L132-W152 HydrophobicContact CG-CH2 4.25Å; L132-W152 HydrophobicContact CG-CZ3 3.75Å; L132-V153 HydrophobicContact CD1-CG1 4.12Å; L132-A157 HydrophobicContact CB-CB 3.88Å; L132-A157 HydrophobicContact CD1-CB 3.77Å; L132-A157 HydrophobicContact CG-CB 4.48Å; L132-L158 HydrophobicContact CD2-CD2 4.48Å; L132-L161 HydrophobicContact CD2-CD1 3.67Å
133G90.6Very high88.8Confident27 Ų2749.1 Ų49.128%0.27825%0.252SS..Hα-helixtrans-60.9-43.4173.400000112.1R129 R130 A136 E137R129-G133 PolarHBondContact O-N 2.84Å; R130-G133 PolarHBondContact O-N 2.82Å; G133-A136 WeakPolarHBondContact O-CB 3.42Å; G133-A136 PolarHBondContact O-N 3.12Å; G133-E137 WeakPolarHBondContact O-CB 3.08Å; G133-E137 WeakPolarHBondContact O-CG 3.24Å; G133-E137 PolarHBondContact O-N 3.32Å
134A90.8Very high89.3Confident15 Ų1551.4 Ų51.412%0.12425%0.254CS..Hα-helixtrans-67.3-33.6176.200000113V107 L110 R130 A131 L132 G138V107-A134 HydrophobicContact CB-CB 4.24Å; V107-A134 HydrophobicContact CG1-CB 4Å; V107-A134 HydrophobicContact CG2-CB 3.76Å; L110-A134 HydrophobicContact CD1-CB 4.05Å; R130-A134 WeakPolarHBondContact O-CB 3.47Å; R130-A134 PolarHBondContact O-N 2.84Å; A131-A134 PolarHBondContact O-N 2.87Å; L132-A134 VanDerWaalsContact C-N 3.34Å; A134-G138 WeakPolarHBondContact O-CA 3.42Å; A134-G138 PolarHBondContact O-N 2.98Å
135L91Very high89.7Confident0 Ų051.6 Ų51.60%025%0.254CS..Hα-helixtrans-62.7-48.5170.6-80.5168.2000110.9L110 V119 L121 A131 L132 E137 C139 L142 L145 L161L110-L135 HydrophobicContact CD1-CB 4.46Å; L110-L135 HydrophobicContact CD1-CD2 3.76Å; L110-L135 HydrophobicContact CD1-CG 3.61Å; L110-L135 HydrophobicContact CD2-CD2 3.49Å; L110-L135 VanDerWaalsContact CD2-CD2 3.49Å; L110-L135 HydrophobicContact CD2-CG 4.32Å; L110-L135 HydrophobicContact CG-CD2 4.19Å; V119-L135 HydrophobicContact CB-CD2 4.41Å; V119-L135 HydrophobicContact CG1-CD2 4.18Å; V119-L135 HydrophobicContact CG2-CD2 4.08Å; L121-L135 HydrophobicContact CD1-CD1 4.17Å; A131-L135 WeakPolarHBondContact O-CG 3.47Å; A131-L135 PolarHBondContact O-N 2.98Å; L132-L135 HydrophobicContact CD2-CD1 4.29Å; L132-L135 WeakPolarHBondContact O-CB 3.47Å; L132-L135 PolarHBondContact O-N 3.29Å; L135-E137 VanDerWaalsContact C-N 3.29Å; L135-E137 PolarHBondContact O-N 2.6Å; L135-C139 WeakPolarHBondContact O-CA 3.35Å; L135-C139 WeakPolarHBondContact O-CB 3.39Å; L135-C139 PolarHBondContact O-N 2.8Å; L135-L142 HydrophobicContact CD2-CD2 4.42Å; L135-L145 HydrophobicContact CD1-CD1 3.92Å; L135-L145 HydrophobicContact CD1-CD2 4.3Å; L135-L161 HydrophobicContact CB-CD1 3.84Å; L135-L161 HydrophobicContact CD1-CD1 4.21Å
136A90.3Very high90.2Very high5 Ų550.3 Ų50.34%0.04124%0.237CC..Hα-helixtrans-59.9-39.8179.500000112.2L132 G133 L161 R164L132-A136 WeakPolarHBondContact O-CB 3.48Å; L132-A136 PolarHBondContact O-N 3.23Å; G133-A136 WeakPolarHBondContact O-CB 3.42Å; G133-A136 PolarHBondContact O-N 3.12Å; A136-L161 HydrophobicContact CB-CB 4.3Å; A136-R164 HydrophobicContact CB-CB 4.17Å; A136-R164 HydrophobicContact CB-CG 4.4Å; A136-R164 WeakPolarHBondContact O-CB 3.23Å
137E90.2Very high90.4Very high128 Ų12844.2 Ų44.260%0.59821%0.209SC*.Hα-helixtrans-84.7-38.3-177.4-73.1-178.2177.500113.4G133 L135 R164G133-E137 WeakPolarHBondContact O-CB 3.08Å; G133-E137 WeakPolarHBondContact O-CG 3.24Å; G133-E137 PolarHBondContact O-N 3.32Å; L135-E137 VanDerWaalsContact C-N 3.29Å; L135-E137 PolarHBondContact O-N 2.6Å; E137-R164 IonicContact OE1-CZ 3.06Å; E137-R164 VanDerWaalsContact OE1-CZ 3.27Å; E137-R164 IonicContact OE1-NH1 3.91Å; E137-R164 PolarHBondContact OE1-NH1 2.87Å; E137-R164 IonicContact OE1-NH2 3.67Å; E137-R164 PolarHBondContact OE1-NH2 3.4Å
138G87.6Confident90.5Very high12 Ų1244.5 Ų44.512%0.12421%0.212CC..Hα-helixtrans-84.9-31.8-175.300000113.6P114 A134 P140P114-G138 WeakPolarHBondContact CA-O 3.42Å; P114-G138 WeakPolarHBondContact CB-O 3.21Å; A134-G138 WeakPolarHBondContact O-CA 3.42Å; A134-G138 PolarHBondContact O-N 2.98Å; G138-P140 VanDerWaalsContact O-CD 3.26Å; G138-P140 WeakPolarHBondContact O-CD 3.34Å
139C91.3Very high90.5Very high0 Ų048.5 Ų48.50%023%0.227CC..  trans-123.569.7-164.4-55.80000113.2L116 L135 R141 L142 C165L116-C139 HydrophobicContact CB-CB 4.24Å; L135-C139 WeakPolarHBondContact O-CA 3.35Å; L135-C139 WeakPolarHBondContact O-CB 3.39Å; L135-C139 PolarHBondContact O-N 2.8Å; C139-R141 PolarHBondContact O-N 3.26Å; C139-R141 VanDerWaalsContact O-N 3.17Å; C139-L142 HydrophobicContact CB-CB 4.37Å; C139-L142 WeakPolarHBondContact O-CB 3.38Å; C139-L142 PolarHBondContact O-N 2.91Å; C139-C165 PolarHBondContact O-SG 3.31Å
140P88.8Confident90.5Very high62 Ų6240.1 Ų40.140%0.40320%0.195SC..THydrogen-bonded Turntrans-68.4-16.4-177.428.2-35.9000114.1G138G138-P140 VanDerWaalsContact O-CD 3.26Å; G138-P140 WeakPolarHBondContact O-CD 3.34Å
141R91.1Very high90.3Very high130 Ų13034.5 Ų34.549%0.49118%0.179SC..THydrogen-bonded Turntrans-97.414.2-180-66.7-175.6172.6-169-6.3113.5L116 C139 Q143L116-R141 CarbonylContact O-C 3.44Å; L116-R141 VanDerWaalsContact O-C 3.23Å; C139-R141 PolarHBondContact O-N 3.26Å; C139-R141 VanDerWaalsContact O-N 3.17Å; R141-Q143 PolarHBondContact O-N 2.87Å
142L92.8Very high90.2Very high0 Ų036.3 Ų36.30%019%0.186CC..  trans-64.5125.3-179.4-16770.3000110.3L116 V119 L135 C139 L145 C165 A167 L168L116-L142 WeakPolarHBondContact O-CA 3.2Å; L116-L142 PolarHBondContact O-N 3.45Å; V119-L142 HydrophobicContact CB-CD1 4.02Å; V119-L142 HydrophobicContact CG2-CD1 3.58Å; L135-L142 HydrophobicContact CD2-CD2 4.42Å; C139-L142 HydrophobicContact CB-CB 4.37Å; C139-L142 WeakPolarHBondContact O-CB 3.38Å; C139-L142 PolarHBondContact O-N 2.91Å; L142-L145 HydrophobicContact CD2-CB 4.09Å; L142-L145 HydrophobicContact CD2-CD1 4.46Å; L142-L145 HydrophobicContact CD2-CD2 4.16Å; L142-L145 HydrophobicContact CD2-CG 4.47Å; L142-C165 HydrophobicContact CB-CB 4.34Å; L142-A167 CarbonylContact O-C 3.58Å; L142-L168 HydrophobicContact CD2-CD1 4.21Å; L142-L168 HydrophobicContact CG-CD1 4.16Å; L142-L168 WeakPolarHBondContact O-CA 3.37Å; L142-L168 PolarHBondContact O-N 3.47Å; L142-L168 VanDerWaalsContact O-N 3.15Å
143Q93.6Very high90Very high39 Ų3936.4 Ų36.418%0.18219%0.187CC..  trans-110.5-37.4179.9-62.1-174.2-61.600112.2R117 R141 A167 E169 E170R117-Q143 HydrophobicContact CB-CG 4.42Å; R117-Q143 CarbonylContact O-C 3.56Å; R117-Q143 WeakPolarHBondContact O-CA 3.5Å; R117-Q143 PolarHBondContact O-N 2.85Å; R141-Q143 PolarHBondContact O-N 2.87Å; Q143-A167 WeakPolarHBondContact CA-O 3.29Å; Q143-A167 HydrophobicContact CG-CB 4.4Å; Q143-E169 PolarHBondContact NE2-OE1 3.03Å; Q143-E169 VanDerWaalsContact NE2-OE1 3.11Å; Q143-E169 PolarHBondContact O-N 3.44Å; Q143-E170 PolarHBondContact O-N 3.23Å
144R93.8Very high89.8Confident73 Ų7338.3 Ų38.328%0.27519%0.19SC..EExtended strand (participates in β ladder)trans-128.1128.8-178.3-59.2-171.1-75.3-89.8-1.3110.5E91 R117 S118 V119 E170E91-R144 IonicContact OE1-NH2 2.82Å; R117-R144 PolarHBondContact O-N 3.28Å; S118-R144 CarbonylContact C-O 3.23Å; S118-R144 WeakPolarHBondContact CA-O 3.18Å; S118-R144 PolarHBondContact OG-NE 2.82Å; V119-R144 PolarHBondContact N-O 3.49Å; R144-E170 CarbonylContact C-O 3.6Å; R144-E170 VanDerWaalsContact CA-O 3.32Å; R144-E170 WeakPolarHBondContact CA-O 3.2Å; R144-E170 HydrophobicContact CB-CB 4.29Å; R144-E170 VanDerWaalsContact CD-CD 3.47Å; R144-E170 WeakPolarHBondContact CD-OE2 3.36Å; R144-E170 HydrophobicContact CG-CB 3.9Å; R144-E170 HydrophobicContact CG-CG 4.05Å; R144-E170 WeakPolarHBondContact CG-OE2 3.18Å
145L92.9Very high89.5Confident3 Ų338.2 Ų38.22%0.01619%0.191CC..EExtended strand (participates in β ladder)trans-133.6120.4176.1179.458.9000110.1V119 L132 L135 L142 L147 L161 L168 E170 L171 D172V119-L145 HydrophobicContact CB-CD1 3.98Å; V119-L145 HydrophobicContact CG1-CD1 3.99Å; V119-L145 CarbonylContact O-C 3.35Å; V119-L145 VanDerWaalsContact O-CA 3.32Å; V119-L145 WeakPolarHBondContact O-CA 3.47Å; L132-L145 HydrophobicContact CD2-CD2 4.41Å; L135-L145 HydrophobicContact CD1-CD1 3.92Å; L135-L145 HydrophobicContact CD1-CD2 4.3Å; L142-L145 HydrophobicContact CD2-CB 4.09Å; L142-L145 HydrophobicContact CD2-CD1 4.46Å; L142-L145 HydrophobicContact CD2-CD2 4.16Å; L142-L145 HydrophobicContact CD2-CG 4.47Å; L145-L147 HydrophobicContact CD1-CD2 4.02Å; L145-L147 HydrophobicContact CD1-CG 4.2Å; L145-L147 HydrophobicContact CD2-CD1 3.96Å; L145-L147 HydrophobicContact CD2-CG 4.26Å; L145-L147 HydrophobicContact CG-CD1 4.19Å; L145-L147 HydrophobicContact CG-CD2 4.32Å; L145-L147 HydrophobicContact CG-CG 3.96Å; L145-L161 HydrophobicContact CD2-CD1 3.53Å; L145-L161 HydrophobicContact CD2-CD2 4.06Å; L145-L161 HydrophobicContact CD2-CG 4.48Å; L145-L168 HydrophobicContact CB-CD1 4.07Å; L145-E170 PolarHBondContact N-O 2.81Å; L145-L171 HydrophobicContact CB-CD1 3.81Å; L145-L171 HydrophobicContact CD2-CD1 3.81Å; L145-L171 HydrophobicContact CG-CD1 3.88Å; L145-L171 CarbonylContact O-C 3.43Å; L145-L171 WeakPolarHBondContact O-CA 3.37Å; L145-D172 PolarHBondContact O-N 3.23Å
146S92.6Very high89.3Confident27 Ų2744.5 Ų44.519%0.18922%0.224CC..EExtended strand (participates in β ladder)trans-109.1121.2170.5176.90000110.7V119 L121 D172V119-S146 PolarHBondContact O-N 3.1Å; L121-S146 PolarHBondContact N-O 3.4Å; S146-D172 PolarHBondContact OG-OD2 3.2Å
147L89.9Confident89.1Confident0 Ų045.1 Ų45.10%023%0.229CC..  trans-12128.9175.2-56.9169.1000109.9L121 L132 L145 H149 C150 W152 V153 L158 D172 L173 C176L121-L147 HydrophobicContact CB-CD2 4.2Å; L121-L147 HydrophobicContact CD1-CD2 4.21Å; L132-L147 HydrophobicContact CD2-CD1 3.77Å; L145-L147 HydrophobicContact CD1-CD2 4.02Å; L145-L147 HydrophobicContact CD1-CG 4.2Å; L145-L147 HydrophobicContact CD2-CD1 3.96Å; L145-L147 HydrophobicContact CD2-CG 4.26Å; L145-L147 HydrophobicContact CG-CD1 4.19Å; L145-L147 HydrophobicContact CG-CD2 4.32Å; L145-L147 HydrophobicContact CG-CG 3.96Å; L147-H149 PolarHBondContact O-N 3.35Å; L147-C150 HydrophobicContact CB-CB 4.25Å; L147-C150 WeakPolarHBondContact O-CB 3.47Å; L147-C150 PolarHBondContact O-N 3.39Å; L147-C150 VanDerWaalsContact O-N 3.13Å; L147-W152 HydrophobicContact CD2-CH2 4.05Å; L147-W152 HydrophobicContact CD2-CZ2 4.21Å; L147-V153 HydrophobicContact CB-CG2 3.99Å; L147-V153 HydrophobicContact CD1-CG1 4.15Å; L147-V153 HydrophobicContact CD1-CG2 3.89Å; L147-V153 HydrophobicContact CG-CG2 4.4Å; L147-L158 HydrophobicContact CD1-CD2 4.25Å; L147-D172 CarbonylContact C-O 3.55Å; L147-D172 PolarHBondContact N-O 2.75Å; L147-L173 HydrophobicContact CB-CD2 4.23Å; L147-L173 HydrophobicContact CD1-CD2 3.95Å; L147-C176 PolarHBondContact O-SG 3.11Å
148A89.4Confident89Confident13 Ų1339 Ų3911%0.10720%0.201CC..THydrogen-bonded Turntrans-54.1138.4-179.500000111.2G122 G123 C150 T174G122-A148 CarbonylContact C-O 3.55Å; G122-A148 WeakPolarHBondContact CA-O 3.49Å; G123-A148 PolarHBondContact N-O 3.34Å; A148-C150 PolarHBondContact O-N 3.14Å; A148-T174 CarbonylContact C-O 3.57Å; A148-T174 VanDerWaalsContact CA-O 3.29Å; A148-T174 WeakPolarHBondContact CA-O 3.32Å
149H87.8Confident89Confident121 Ų12142.3 Ų42.356%0.5621%0.209SC*.THydrogen-bonded Turntrans58.924.8-178.3-55.2-78.4000115.1L147 T174L147-H149 PolarHBondContact O-N 3.35Å; H149-T174 PolarHBondContact N-O 3.15Å
150C87.4Confident88.9Confident0 Ų043.5 Ų43.50%022%0.222CC..  trans-99.8100.8175.4-68.90000111.2L121 L147 A148 W152 V153 C176L121-C150 PolarHBondContact O-SG 3.14Å; L147-C150 HydrophobicContact CB-CB 4.25Å; L147-C150 WeakPolarHBondContact O-CB 3.47Å; L147-C150 PolarHBondContact O-N 3.39Å; L147-C150 VanDerWaalsContact O-N 3.13Å; A148-C150 PolarHBondContact O-N 3.14Å; C150-W152 HydrophobicContact CB-CD2 4.42Å; C150-W152 HydrophobicContact CB-CZ2 4.03Å; C150-W152 VanDerWaalsContact CB-NE1 3.33Å; C150-W152 PolarHBondContact O-N 3.35Å; C150-W152 PolarHBondContact SG-NE1 3.14Å; C150-V153 HydrophobicContact CB-CG2 3.62Å; C150-V153 WeakPolarHBondContact O-CG2 3.48Å; C150-C176 PolarHBondContact O-SG 3.09Å
151D85.3Confident88.9Confident69 Ų6940.5 Ų40.537%0.36920%0.202SC..THydrogen-bonded Turntrans-77.1-7179.2-72.3-35.5000113.7R177 Q178D151-R177 WeakPolarHBondContact OD1-CB 3.4Å; D151-R177 PolarHBondContact OD1-N 2.94Å; D151-R177 VanDerWaalsContact OD1-N 3.07Å; D151-R177 IonicContact OD2-NH1 3.69Å; D151-Q178 HydrophobicContact CB-CG 4.43Å; D151-Q178 VanDerWaalsContact O-CB 3.31Å; D151-Q178 WeakPolarHBondContact O-CB 3.29Å; D151-Q178 WeakPolarHBondContact O-CG 3.38Å
152W87.1Confident88.7Confident38 Ų3834.5 Ų34.514%0.14418%0.181CC..THydrogen-bonded Turntrans-89.4-1.5179.655.4-95.4000113.8C124 L127 S128 A131 L132 L147 C150 D154C124-W152 VanDerWaalsContact O-CD1 3.28Å; C124-W152 PolarHBondContact O-NE1 3.37Å; L127-W152 HydrophobicContact CB-CD2 3.96Å; L127-W152 VanDerWaalsContact CB-CE2 3.47Å; L127-W152 HydrophobicContact CB-CE3 4.35Å; L127-W152 HydrophobicContact CB-CH2 3.89Å; L127-W152 HydrophobicContact CB-CZ2 3.47Å; L127-W152 VanDerWaalsContact CB-CZ2 3.47Å; L127-W152 HydrophobicContact CB-CZ3 4.29Å; L127-W152 HydrophobicContact CD1-CH2 4.12Å; L127-W152 HydrophobicContact CD1-CZ2 3.66Å; L127-W152 HydrophobicContact CG-CZ2 4.21Å; L127-W152 WeakPolarHBondContact O-CB 3.09Å; S128-W152 VanDerWaalsContact C-CE3 3.44Å; S128-W152 WeakPolarHBondContact O-CZ3 3.39Å; A131-W152 HydrophobicContact CB-CH2 4.23Å; A131-W152 HydrophobicContact CB-CZ3 4.33Å; L132-W152 HydrophobicContact CD1-CE3 4.41Å; L132-W152 HydrophobicContact CD1-CZ3 3.79Å; L132-W152 HydrophobicContact CG-CH2 4.25Å; L132-W152 HydrophobicContact CG-CZ3 3.75Å; L147-W152 HydrophobicContact CD2-CH2 4.05Å; L147-W152 HydrophobicContact CD2-CZ2 4.21Å; C150-W152 HydrophobicContact CB-CD2 4.42Å; C150-W152 HydrophobicContact CB-CZ2 4.03Å; C150-W152 VanDerWaalsContact CB-NE1 3.33Å; C150-W152 PolarHBondContact O-N 3.35Å; C150-W152 PolarHBondContact SG-NE1 3.14Å; W152-D154 PolarHBondContact O-N 3.36Å
153V86.8Confident88.5Confident3 Ų338.9 Ų38.92%0.01820%0.204CC..  trans-71.5120.2-177.7179.20000110L132 L147 C150 L158 L173 L179L132-V153 HydrophobicContact CD1-CG1 4.12Å; L147-V153 HydrophobicContact CB-CG2 3.99Å; L147-V153 HydrophobicContact CD1-CG1 4.15Å; L147-V153 HydrophobicContact CD1-CG2 3.89Å; L147-V153 HydrophobicContact CG-CG2 4.4Å; C150-V153 HydrophobicContact CB-CG2 3.62Å; C150-V153 WeakPolarHBondContact O-CG2 3.48Å; V153-L158 HydrophobicContact CG1-CD1 3.49Å; V153-L158 VanDerWaalsContact CG1-CD1 3.49Å; V153-L158 HydrophobicContact CG1-CD2 4.24Å; V153-L158 HydrophobicContact CG1-CG 3.76Å; V153-L173 HydrophobicContact CG1-CD2 4.37Å; V153-L179 HydrophobicContact CG1-CD1 4.38Å
154D85Confident88.3Confident66 Ų6643 Ų4335%0.35322%0.218SC..  trans-102.9137.5179.8-173.42.5000110.8W152 L156 A157 L158W152-D154 PolarHBondContact O-N 3.36Å; D154-L156 VanDerWaalsContact C-N 3.3Å; D154-L156 PolarHBondContact O-N 2.98Å; D154-L156 PolarHBondContact OD1-N 3.27Å; D154-A157 HydrophobicContact CB-CB 4.25Å; D154-A157 PolarHBondContact O-N 2.87Å; D154-L158 PolarHBondContact O-N 2.97Å
155G85.6Confident88.1Confident14 Ų1439.6 Ų39.614%0.14421%0.205CC..Hα-helixtrans-59.7-37.9177.900000112.9L158 R159 A183G155-L158 PolarHBondContact O-N 3.34Å; G155-R159 WeakPolarHBondContact O-CG 3.32Å; G155-R159 PolarHBondContact O-N 2.91Å; G155-A183 VanDerWaalsContact CA-CB 3.46Å
156L85.6Confident87.8Confident131 Ų13144.4 Ų44.469%0.68624%0.236SC*.Hα-helixtrans-64.3-41.7176.4-72.8171.8000111.9D154 R159 G160D154-L156 VanDerWaalsContact C-N 3.3Å; D154-L156 PolarHBondContact O-N 2.98Å; D154-L156 PolarHBondContact OD1-N 3.27Å; L156-R159 PolarHBondContact O-N 3.29Å; L156-G160 PolarHBondContact O-N 3.45Å; L156-G160 VanDerWaalsContact O-N 3.14Å
157A86.4Confident87.7Confident19 Ų1944.8 Ų44.816%0.15724%0.242CC..Hα-helixtrans-67.6-37.5177.500000111.5R129 L132 D154 G160 L161R129-A157 HydrophobicContact CB-CB 4.25Å; L132-A157 HydrophobicContact CB-CB 3.88Å; L132-A157 HydrophobicContact CD1-CB 3.77Å; L132-A157 HydrophobicContact CG-CB 4.48Å; D154-A157 HydrophobicContact CB-CB 4.25Å; D154-A157 PolarHBondContact O-N 2.87Å; A157-G160 PolarHBondContact O-N 2.87Å; A157-L161 WeakPolarHBondContact O-CB 3.47Å; A157-L161 PolarHBondContact O-N 3.02Å
158L88.3Confident87.7Confident0 Ų046.8 Ų46.80%025%0.252CS..Hα-helixtrans-64.3-38.5173.6-81.7173.3000113L132 L147 V153 D154 G155 L161 A162 L171 L173 L179 L187L132-L158 HydrophobicContact CD2-CD2 4.48Å; L147-L158 HydrophobicContact CD1-CD2 4.25Å; V153-L158 HydrophobicContact CG1-CD1 3.49Å; V153-L158 VanDerWaalsContact CG1-CD1 3.49Å; V153-L158 HydrophobicContact CG1-CD2 4.24Å; V153-L158 HydrophobicContact CG1-CG 3.76Å; D154-L158 PolarHBondContact O-N 2.97Å; G155-L158 PolarHBondContact O-N 3.34Å; L158-L161 PolarHBondContact O-N 3.32Å; L158-A162 WeakPolarHBondContact O-CB 3.46Å; L158-A162 PolarHBondContact O-N 2.97Å; L158-L171 HydrophobicContact CD2-CD1 4.48Å; L158-L171 HydrophobicContact CD2-CD2 4.19Å; L158-L173 HydrophobicContact CD1-CD1 4.16Å; L158-L173 HydrophobicContact CD1-CD2 4.19Å; L158-L173 HydrophobicContact CD2-CD2 4.4Å; L158-L179 HydrophobicContact CD1-CD1 3.46Å; L158-L179 VanDerWaalsContact CD1-CD1 3.46Å; L158-L179 HydrophobicContact CD1-CD2 4.32Å; L158-L187 HydrophobicContact CB-CD1 4.38Å; L158-L187 HydrophobicContact CD1-CD1 4.25Å
159R88.1Confident87.7Confident80 Ų8052.6 Ų52.630%0.30228%0.277SS..Hα-helixtrans-60.1-48.4173.2-68.7-177.8179-160.1-0.4110.9G155 L156 L161 A162 D163 E182 Y186G155-R159 WeakPolarHBondContact O-CG 3.32Å; G155-R159 PolarHBondContact O-N 2.91Å; L156-R159 PolarHBondContact O-N 3.29Å; R159-L161 VanDerWaalsContact C-N 3.29Å; R159-L161 PolarHBondContact O-N 3.04Å; R159-A162 WeakPolarHBondContact O-CB 3.1Å; R159-A162 PolarHBondContact O-N 3.03Å; R159-D163 VanDerWaalsContact O-CG 3.27Å; R159-D163 PolarHBondContact O-N 2.84Å; R159-E182 PolarHBondContact NH2-O 2.92Å; R159-Y186 HydrophobicContact CB-CD1 4.1Å; R159-Y186 HydrophobicContact CB-CE1 3.93Å; R159-Y186 HydrophobicContact CG-CD1 3.52Å; R159-Y186 HydrophobicContact CG-CD2 4.39Å; R159-Y186 HydrophobicContact CG-CE1 3.85Å; R159-Y186 HydrophobicContact CG-CG 3.8Å
160G87.9Confident87.8Confident25 Ų2552.1 Ų52.126%0.25828%0.275SS..Hα-helixtrans-61.3-36.7175.700000113.2L156 A157 D163 R164L156-G160 PolarHBondContact O-N 3.45Å; L156-G160 VanDerWaalsContact O-N 3.14Å; A157-G160 PolarHBondContact O-N 2.87Å; G160-D163 PolarHBondContact O-N 3.28Å; G160-R164 WeakPolarHBondContact O-CG 3.39Å; G160-R164 PolarHBondContact O-N 3.11Å
161L89.5Confident88Confident0 Ų054.7 Ų54.70%029%0.288CS..Hα-helixtrans-65.7-47.6174.6-174.4147.2000111.3L132 L135 A136 L145 A157 L158 R159 D163 R164 C165 L168L132-L161 HydrophobicContact CD2-CD1 3.67Å; L135-L161 HydrophobicContact CB-CD1 3.84Å; L135-L161 HydrophobicContact CD1-CD1 4.21Å; A136-L161 HydrophobicContact CB-CB 4.3Å; L145-L161 HydrophobicContact CD2-CD1 3.53Å; L145-L161 HydrophobicContact CD2-CD2 4.06Å; L145-L161 HydrophobicContact CD2-CG 4.48Å; A157-L161 WeakPolarHBondContact O-CB 3.47Å; A157-L161 PolarHBondContact O-N 3.02Å; L158-L161 PolarHBondContact O-N 3.32Å; R159-L161 VanDerWaalsContact C-N 3.29Å; R159-L161 PolarHBondContact O-N 3.04Å; L161-D163 VanDerWaalsContact C-N 3.3Å; L161-D163 PolarHBondContact O-N 3.29Å; L161-R164 PolarHBondContact O-N 3.18Å; L161-C165 HydrophobicContact CD2-CB 4.38Å; L161-C165 VanDerWaalsContact O-CB 3.23Å; L161-C165 WeakPolarHBondContact O-CB 3.19Å; L161-C165 PolarHBondContact O-N 3.13Å; L161-C165 PolarHBondContact O-SG 3.13Å; L161-L168 HydrophobicContact CD2-CD2 3.85Å
162A87.3Confident88.2Confident4 Ų454 Ų543%0.03329%0.285CS..Hα-helixtrans-54.7-52.6174.900000108.7L158 R159 R164 C165 L187 R190L158-A162 WeakPolarHBondContact O-CB 3.46Å; L158-A162 PolarHBondContact O-N 2.97Å; R159-A162 WeakPolarHBondContact O-CB 3.1Å; R159-A162 PolarHBondContact O-N 3.03Å; A162-R164 PolarHBondContact O-N 3.23Å; A162-R164 VanDerWaalsContact O-N 3.1Å; A162-C165 CarbonylContact O-C 3.58Å; A162-C165 PolarHBondContact O-N 3.43Å; A162-C165 VanDerWaalsContact O-N 3.15Å; A162-L187 HydrophobicContact CB-CD2 3.59Å; A162-R190 VanDerWaalsContact O-CZ 3.24Å; A162-R190 PolarHBondContact O-NH1 3.33Å; A162-R190 VanDerWaalsContact O-NH1 3.11Å; A162-R190 PolarHBondContact O-NH2 3.07Å
163D88.8Confident88.2Confident92 Ų9253.9 Ų53.949%0.49229%0.287SS..Hα-helixtrans-57.6-32.8-172.9-71.2-16.6000113.5R159 G160 L161 Y186 R190R159-D163 VanDerWaalsContact O-CG 3.27Å; R159-D163 PolarHBondContact O-N 2.84Å; G160-D163 PolarHBondContact O-N 3.28Å; L161-D163 VanDerWaalsContact C-N 3.3Å; L161-D163 PolarHBondContact O-N 3.29Å; D163-Y186 PolarHBondContact OD1-OH 3.32Å; D163-Y186 PolarHBondContact OD2-OH 3.13Å; D163-R190 IonicContact OD1-CZ 3.87Å; D163-R190 IonicContact OD1-NH1 3.61Å; D163-R190 PolarHBondContact OD1-NH1 3.33Å
164R89.3Confident88.3Confident126 Ų12657.8 Ų57.848%0.47531%0.311SS..Hα-helixtrans-98.3-15-178.9-54.9-165-146.6-161.624.1114.4A136 E137 G160 L161 A162 P166A136-R164 HydrophobicContact CB-CB 4.17Å; A136-R164 HydrophobicContact CB-CG 4.4Å; A136-R164 WeakPolarHBondContact O-CB 3.23Å; E137-R164 IonicContact OE1-CZ 3.06Å; E137-R164 VanDerWaalsContact OE1-CZ 3.27Å; E137-R164 IonicContact OE1-NH1 3.91Å; E137-R164 PolarHBondContact OE1-NH1 2.87Å; E137-R164 IonicContact OE1-NH2 3.67Å; E137-R164 PolarHBondContact OE1-NH2 3.4Å; G160-R164 WeakPolarHBondContact O-CG 3.39Å; G160-R164 PolarHBondContact O-N 3.11Å; L161-R164 PolarHBondContact O-N 3.18Å; A162-R164 PolarHBondContact O-N 3.23Å; A162-R164 VanDerWaalsContact O-N 3.1Å; R164-P166 VanDerWaalsContact C-CD 3.41Å; R164-P166 WeakPolarHBondContact O-CD 3.44Å
165C89.7Confident88.3Confident1 Ų156.8 Ų56.81%0.00731%0.311CS..  trans-113.374.7177.1-58.70000110.3C139 L142 L161 A162 A167 L168C139-C165 PolarHBondContact O-SG 3.31Å; L142-C165 HydrophobicContact CB-CB 4.34Å; L161-C165 HydrophobicContact CD2-CB 4.38Å; L161-C165 VanDerWaalsContact O-CB 3.23Å; L161-C165 WeakPolarHBondContact O-CB 3.19Å; L161-C165 PolarHBondContact O-N 3.13Å; L161-C165 PolarHBondContact O-SG 3.13Å; A162-C165 CarbonylContact O-C 3.58Å; A162-C165 PolarHBondContact O-N 3.43Å; A162-C165 VanDerWaalsContact O-N 3.15Å; C165-A167 PolarHBondContact O-N 3.41Å; C165-L168 WeakPolarHBondContact O-CB 3.41Å; C165-L168 PolarHBondContact O-N 3.36Å
166P86.9Confident88.3Confident103 Ų10356.8 Ų56.867%0.66931%0.309SS*.THydrogen-bonded Turntrans-69-14.9-178.229.6-36.7000113.6R164 L168R164-P166 VanDerWaalsContact C-CD 3.41Å; R164-P166 WeakPolarHBondContact O-CD 3.44Å; P166-L168 VanDerWaalsContact C-N 3.32Å
167A89.3Confident88.2Confident36 Ų3659.8 Ų59.830%0.29831%0.311SS..THydrogen-bonded Turntrans-88.86179.700000113.6L142 Q143 C165 E169L142-A167 CarbonylContact O-C 3.58Å; Q143-A167 WeakPolarHBondContact CA-O 3.29Å; Q143-A167 HydrophobicContact CG-CB 4.4Å; C165-A167 PolarHBondContact O-N 3.41Å; A167-E169 PolarHBondContact O-N 3.21Å
168L89.5Confident88Confident41 Ų4165.7 Ų65.722%0.21534%0.336CS..  trans-69.2115.9-177.1-168.174.1000110.3L142 L145 L161 C165 P166 L171L142-L168 HydrophobicContact CD2-CD1 4.21Å; L142-L168 HydrophobicContact CG-CD1 4.16Å; L142-L168 WeakPolarHBondContact O-CA 3.37Å; L142-L168 PolarHBondContact O-N 3.47Å; L142-L168 VanDerWaalsContact O-N 3.15Å; L145-L168 HydrophobicContact CB-CD1 4.07Å; L161-L168 HydrophobicContact CD2-CD2 3.85Å; C165-L168 WeakPolarHBondContact O-CB 3.41Å; C165-L168 PolarHBondContact O-N 3.36Å; P166-L168 VanDerWaalsContact C-N 3.32Å; L168-L171 HydrophobicContact CD2-CB 4.26Å; L168-L171 HydrophobicContact CD2-CD2 4.31Å
169E90.5Very high87.7Confident135 Ų13566.9 Ų66.963%0.63134%0.342SS*.  trans-106.1-36.9-177.8-70.6167.6-154.100111.6Q143 A167Q143-E169 PolarHBondContact NE2-OE1 3.03Å; Q143-E169 VanDerWaalsContact NE2-OE1 3.11Å; Q143-E169 PolarHBondContact O-N 3.44Å; A167-E169 PolarHBondContact O-N 3.21Å
170E90.4Very high87.5Confident112 Ų11270.1 Ų70.152%0.52336%0.358SS..EExtended strand (participates in β ladder)trans-127.7127.9-178.4-55.1174.4-167.800110.8Q143 R144 L145Q143-E170 PolarHBondContact O-N 3.23Å; R144-E170 CarbonylContact C-O 3.6Å; R144-E170 VanDerWaalsContact CA-O 3.32Å; R144-E170 WeakPolarHBondContact CA-O 3.2Å; R144-E170 HydrophobicContact CB-CB 4.29Å; R144-E170 VanDerWaalsContact CD-CD 3.47Å; R144-E170 WeakPolarHBondContact CD-OE2 3.36Å; R144-E170 HydrophobicContact CG-CB 3.9Å; R144-E170 HydrophobicContact CG-CG 4.05Å; R144-E170 WeakPolarHBondContact CG-OE2 3.18Å; L145-E170 PolarHBondContact N-O 2.81Å
171L90.1Very high87.2Confident53 Ų5375 Ų7528%0.27738%0.378SS..EExtended strand (participates in β ladder)trans-133.2112.3176-178.962.1000109.1L145 L158 L168 L173 L187L145-L171 HydrophobicContact CB-CD1 3.81Å; L145-L171 HydrophobicContact CD2-CD1 3.81Å; L145-L171 HydrophobicContact CG-CD1 3.88Å; L145-L171 CarbonylContact O-C 3.43Å; L145-L171 WeakPolarHBondContact O-CA 3.37Å; L158-L171 HydrophobicContact CD2-CD1 4.48Å; L158-L171 HydrophobicContact CD2-CD2 4.19Å; L168-L171 HydrophobicContact CD2-CB 4.26Å; L168-L171 HydrophobicContact CD2-CD2 4.31Å; L171-L173 HydrophobicContact CD1-CD2 4.06Å; L171-L173 HydrophobicContact CD1-CG 4.38Å; L171-L173 HydrophobicContact CD2-CD1 3.85Å; L171-L173 HydrophobicContact CD2-CD2 4.41Å; L171-L173 HydrophobicContact CD2-CG 4.23Å; L171-L173 HydrophobicContact CG-CD1 4.04Å; L171-L173 HydrophobicContact CG-CD2 4.09Å; L171-L173 HydrophobicContact CG-CG 3.89Å; L171-L187 HydrophobicContact CD2-CD1 3.65Å; L171-L187 HydrophobicContact CD2-CD2 4.2Å
172D90.3Very high86.8Confident56 Ų5681.4 Ų81.430%0.29941%0.408SS..EExtended strand (participates in β ladder)trans-99.9111.4178.4169.623.4000110L145 S146 L147 T174L145-D172 PolarHBondContact O-N 3.23Å; S146-D172 PolarHBondContact OG-OD2 3.2Å; L147-D172 CarbonylContact C-O 3.55Å; L147-D172 PolarHBondContact N-O 2.75Å; D172-T174 WeakPolarHBondContact OD1-CB 3.22Å; D172-T174 PolarHBondContact OD1-N 3.27Å; D172-T174 PolarHBondContact OD1-OG1 2.75Å
173L88.1Confident86.6Confident35 Ų3581.4 Ų81.418%0.18341%0.408CS..  trans-114.424.4179.7-57.9170.4000111.2L147 V153 L158 L171 A175 C176 L179 L187L147-L173 HydrophobicContact CB-CD2 4.23Å; L147-L173 HydrophobicContact CD1-CD2 3.95Å; V153-L173 HydrophobicContact CG1-CD2 4.37Å; L158-L173 HydrophobicContact CD1-CD1 4.16Å; L158-L173 HydrophobicContact CD1-CD2 4.19Å; L158-L173 HydrophobicContact CD2-CD2 4.4Å; L171-L173 HydrophobicContact CD1-CD2 4.06Å; L171-L173 HydrophobicContact CD1-CG 4.38Å; L171-L173 HydrophobicContact CD2-CD1 3.85Å; L171-L173 HydrophobicContact CD2-CD2 4.41Å; L171-L173 HydrophobicContact CD2-CG 4.23Å; L171-L173 HydrophobicContact CG-CD1 4.04Å; L171-L173 HydrophobicContact CG-CD2 4.09Å; L171-L173 HydrophobicContact CG-CG 3.89Å; L173-A175 PolarHBondContact O-N 3.25Å; L173-C176 WeakPolarHBondContact O-CB 3.29Å; L173-C176 PolarHBondContact O-N 2.81Å; L173-C176 VanDerWaalsContact O-N 3.15Å; L173-C176 PolarHBondContact O-SG 3.32Å; L173-L179 HydrophobicContact CB-CD2 4.36Å; L173-L179 HydrophobicContact CD1-CD2 3.59Å; L173-L179 HydrophobicContact CG-CD2 4.44Å; L173-L187 HydrophobicContact CD1-CD1 4.34Å
174T88.2Confident86.2Confident85 Ų8581 Ų8152%0.52141%0.405SS..THydrogen-bonded Turntrans-54129.1-176.4-60.90000110.8A148 H149 D172 C176A148-T174 CarbonylContact C-O 3.57Å; A148-T174 VanDerWaalsContact CA-O 3.29Å; A148-T174 WeakPolarHBondContact CA-O 3.32Å; H149-T174 PolarHBondContact N-O 3.15Å; D172-T174 WeakPolarHBondContact OD1-CB 3.22Å; D172-T174 PolarHBondContact OD1-N 3.27Å; D172-T174 PolarHBondContact OD1-OG1 2.75Å; T174-C176 PolarHBondContact O-N 3.25Å
175A84.8Confident86Confident44 Ų4478.5 Ų78.536%0.36440%0.404SS..THydrogen-bonded Turntrans57.227.7178.500000115.7L173 R177L173-A175 PolarHBondContact O-N 3.25Å; A175-R177 PolarHBondContact O-N 3.31Å
176C86.4Confident85.7Confident15 Ų1581.5 Ų81.510%0.10142%0.415CS..  trans-80.496.8167.3-64.70000110L147 C150 L173 T174 Q178 L179L147-C176 PolarHBondContact O-SG 3.11Å; C150-C176 PolarHBondContact O-SG 3.09Å; L173-C176 WeakPolarHBondContact O-CB 3.29Å; L173-C176 PolarHBondContact O-N 2.81Å; L173-C176 VanDerWaalsContact O-N 3.15Å; L173-C176 PolarHBondContact O-SG 3.32Å; T174-C176 PolarHBondContact O-N 3.25Å; C176-Q178 PolarHBondContact O-N 2.85Å; C176-L179 HydrophobicContact CB-CB 4.33Å
177R82.1Confident85.4Confident194 Ų19478.3 Ų78.373%0.73239%0.393SS*.THydrogen-bonded Turntrans-78.2-20.6-168.8-60-172.2-177.2106.7-5.5114.9D151 A175 L179D151-R177 WeakPolarHBondContact OD1-CB 3.4Å; D151-R177 PolarHBondContact OD1-N 2.94Å; D151-R177 VanDerWaalsContact OD1-N 3.07Å; D151-R177 IonicContact OD2-NH1 3.69Å; A175-R177 PolarHBondContact O-N 3.31Å; R177-L179 VanDerWaalsContact C-N 3.33Å
178Q82.1Confident85Confident143 Ų14380.5 Ų80.567%0.66841%0.41SS*.THydrogen-bonded Turntrans-85.9-6.8-179.4-68.7-64.7-55.200113.2D151 C176D151-Q178 HydrophobicContact CB-CG 4.43Å; D151-Q178 VanDerWaalsContact O-CB 3.31Å; D151-Q178 WeakPolarHBondContact O-CB 3.29Å; D151-Q178 WeakPolarHBondContact O-CG 3.38Å; C176-Q178 PolarHBondContact O-N 2.85Å
179L83.4Confident84.4Confident25 Ų2585.6 Ų85.613%0.13143%0.433CS..  trans-77.3131-176.6-166.972.7000111V153 L158 L173 C176 R177 A183 I184V153-L179 HydrophobicContact CG1-CD1 4.38Å; L158-L179 HydrophobicContact CD1-CD1 3.46Å; L158-L179 VanDerWaalsContact CD1-CD1 3.46Å; L158-L179 HydrophobicContact CD1-CD2 4.32Å; L173-L179 HydrophobicContact CB-CD2 4.36Å; L173-L179 HydrophobicContact CD1-CD2 3.59Å; L173-L179 HydrophobicContact CG-CD2 4.44Å; C176-L179 HydrophobicContact CB-CB 4.33Å; R177-L179 VanDerWaalsContact C-N 3.33Å; L179-A183 HydrophobicContact CD1-CB 3.8Å; L179-A183 HydrophobicContact CG-CB 4.32Å; L179-I184 HydrophobicContact CD2-CD1 4.01Å; L179-I184 HydrophobicContact CD2-CG1 3.7Å; L179-I184 HydrophobicContact CG-CG1 4.41Å
180K82.4Confident83Confident148 Ų14886.8 Ų86.864%0.64343%0.432SS*.  trans-92148.8175.3-62.5-178.1-179179.50111.3E182 A183K180-E182 PolarHBondContact O-N 3.18Å; K180-E182 VanDerWaalsContact O-N 3.12Å; K180-A183 WeakPolarHBondContact O-CB 3.31Å; K180-A183 PolarHBondContact O-N 3.28Å
181D82.3Confident82.6Confident126 Ų12685.5 Ų85.567%0.67443%0.427SS*.Hα-helixtrans-54.3-34.3178.1-60.1-21.8000112.9A183 I184 V185D181-A183 PolarHBondContact O-N 3.37Å; D181-A183 VanDerWaalsContact O-N 3.17Å; D181-I184 PolarHBondContact O-N 3.36Å; D181-V185 WeakPolarHBondContact O-CG2 3.41Å; D181-V185 PolarHBondContact O-N 3.12Å
182E82.1Confident82.2Confident136 Ų13687.2 Ų87.264%0.63644%0.435SS*.Hα-helixtrans-58-28.9177-65177.4-171.600114R159 K180 Y186R159-E182 PolarHBondContact NH2-O 2.92Å; K180-E182 PolarHBondContact O-N 3.18Å; K180-E182 VanDerWaalsContact O-N 3.12Å; E182-Y186 PolarHBondContact O-N 2.97Å
183A81.4Confident81.8Confident4 Ų488.9 Ų88.93%0.03344%0.443CS..Hα-helixtrans-75.3-40.3175.800000110.9G155 L179 K180 D181 Y186 L187G155-A183 VanDerWaalsContact CA-CB 3.46Å; L179-A183 HydrophobicContact CD1-CB 3.8Å; L179-A183 HydrophobicContact CG-CB 4.32Å; K180-A183 WeakPolarHBondContact O-CB 3.31Å; K180-A183 PolarHBondContact O-N 3.28Å; D181-A183 PolarHBondContact O-N 3.37Å; D181-A183 VanDerWaalsContact O-N 3.17Å; A183-Y186 PolarHBondContact O-N 3.35Å; A183-L187 WeakPolarHBondContact O-CG 3.36Å; A183-L187 PolarHBondContact O-N 2.6Å; A183-L187 VanDerWaalsContact O-N 3.14Å
184I81.4Confident81.4Confident82 Ų8292.1 Ų92.142%0.42146%0.458SS..Hα-helixtrans-67.5-43.7178.7-55.1176.5000110.2L179 D181 Y186 L187 A188L179-I184 HydrophobicContact CD2-CD1 4.01Å; L179-I184 HydrophobicContact CD2-CG1 3.7Å; L179-I184 HydrophobicContact CG-CG1 4.41Å; D181-I184 PolarHBondContact O-N 3.36Å; I184-Y186 VanDerWaalsContact C-N 3.27Å; I184-Y186 PolarHBondContact O-N 3.34Å; I184-L187 PolarHBondContact O-N 3.39Å; I184-L187 VanDerWaalsContact O-N 3.14Å; I184-A188 WeakPolarHBondContact O-CB 3.45Å; I184-A188 PolarHBondContact O-N 3.47Å
185V84.6Confident81Confident75 Ų7592.6 Ų92.646%0.45545%0.454SS..Hα-helixtrans-57.7-42.7176.4171.80000110.9D181 A188 Q189D181-V185 WeakPolarHBondContact O-CG2 3.41Å; D181-V185 PolarHBondContact O-N 3.12Å; V185-A188 PolarHBondContact O-N 3.17Å; V185-Q189 HydrophobicContact CG1-CG 4.39Å; V185-Q189 WeakPolarHBondContact O-CB 3.31Å; V185-Q189 VanDerWaalsContact O-CG 3.24Å; V185-Q189 WeakPolarHBondContact O-CG 3.09Å; V185-Q189 PolarHBondContact O-N 3.35Å; V185-Q189 VanDerWaalsContact O-N 3.07Å
186Y84.1Confident80.7Confident64 Ų6495.8 Ų95.825%0.25146%0.46SS..Hα-helixtrans-63.4-42.6177.1-176.1-87.8000112.4R159 D163 E182 A183 I184 A188 Q189R159-Y186 HydrophobicContact CB-CD1 4.1Å; R159-Y186 HydrophobicContact CB-CE1 3.93Å; R159-Y186 HydrophobicContact CG-CD1 3.52Å; R159-Y186 HydrophobicContact CG-CD2 4.39Å; R159-Y186 HydrophobicContact CG-CE1 3.85Å; R159-Y186 HydrophobicContact CG-CG 3.8Å; D163-Y186 PolarHBondContact OD1-OH 3.32Å; D163-Y186 PolarHBondContact OD2-OH 3.13Å; E182-Y186 PolarHBondContact O-N 2.97Å; A183-Y186 PolarHBondContact O-N 3.35Å; I184-Y186 VanDerWaalsContact C-N 3.27Å; I184-Y186 PolarHBondContact O-N 3.34Å; Y186-A188 VanDerWaalsContact C-N 3.32Å; Y186-Q189 PolarHBondContact O-N 2.67Å
187L80.8Confident80.3Confident36 Ų36101.6 Ų101.619%0.18849%0.485CS..Hα-helixtrans-65.7-35.5177.6-70.1164.2000112.1L158 A162 L171 L173 A183 I184L158-L187 HydrophobicContact CB-CD1 4.38Å; L158-L187 HydrophobicContact CD1-CD1 4.25Å; A162-L187 HydrophobicContact CB-CD2 3.59Å; L171-L187 HydrophobicContact CD2-CD1 3.65Å; L171-L187 HydrophobicContact CD2-CD2 4.2Å; L173-L187 HydrophobicContact CD1-CD1 4.34Å; A183-L187 WeakPolarHBondContact O-CG 3.36Å; A183-L187 PolarHBondContact O-N 2.6Å; A183-L187 VanDerWaalsContact O-N 3.14Å; I184-L187 PolarHBondContact O-N 3.39Å; I184-L187 VanDerWaalsContact O-N 3.14Å
188A79.4Confident80.2Confident81 Ų8194.5 Ų94.567%0.66947%0.466SS*.Hα-helixtrans-78.6-18.7179.700000114.1I184 V185 Y186 R190I184-A188 WeakPolarHBondContact O-CB 3.45Å; I184-A188 PolarHBondContact O-N 3.47Å; V185-A188 PolarHBondContact O-N 3.17Å; Y186-A188 VanDerWaalsContact C-N 3.32Å; A188-R190 PolarHBondContact O-N 3.49Å
189Q77.5Confident80Confident148 Ų14890.4 Ų90.469%0.69245%0.45SS*.THydrogen-bonded Turntrans-83.14178.4-78.6175.8-1.600113.6V185 Y186V185-Q189 HydrophobicContact CG1-CG 4.39Å; V185-Q189 WeakPolarHBondContact O-CB 3.31Å; V185-Q189 VanDerWaalsContact O-CG 3.24Å; V185-Q189 WeakPolarHBondContact O-CG 3.09Å; V185-Q189 PolarHBondContact O-N 3.35Å; V185-Q189 VanDerWaalsContact O-N 3.07Å; Y186-Q189 PolarHBondContact O-N 2.67Å
190R60.5Low79.7Confident160 Ų16096.4 Ų96.460%0.60448%0.479SS*.  trans-114.30-175.5-82.4-179.652169.8-9.1113.2A162 D163 A188A162-R190 VanDerWaalsContact O-CZ 3.24Å; A162-R190 PolarHBondContact O-NH1 3.33Å; A162-R190 VanDerWaalsContact O-NH1 3.11Å; A162-R190 PolarHBondContact O-NH2 3.07Å; D163-R190 IonicContact OD1-CZ 3.87Å; D163-R190 IonicContact OD1-NH1 3.61Å; D163-R190 PolarHBondContact OD1-NH1 3.33Å; A188-R190 PolarHBondContact O-N 3.49Å

Retrieved 190 of 190 residues in 48.6 ms (Link to these results)