A0A087YCF0_POEFO Loading...

NF2, moesin-ezrin-radixin like (MERLIN) tumor suppressor

AlphaFold DB , UniProt , Accession A0A087YCF0, Species POEFO (Poecilia formosa, Amazon molly), Gene NF2, Length 591 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
1M45.4Very low44.9Very low218 Ų218121.2 Ų121.2100%1.07474%0.738SS**  0-70-73.6-151.7-8300115.1
2A44.5Very low44.5Very low91 Ų91124.7 Ų124.775%0.75275%0.749SS**THydrogen-bonded Turntrans-75.5-21.1175.900000114.8
3S48.6Very low44.5Very low111 Ų111122.5 Ų122.578%0.77674%0.743SS**THydrogen-bonded Turntrans-80.8-13.7-179.7-162.50000114.5
4A47.4Very low44.6Very low73 Ų73124.3 Ų124.360%0.60375%0.745SS**THydrogen-bonded Turntrans-91.6-16.6-179.800000113.1
5L44.8Very low45.1Very low122 Ų122126 Ų12664%0.63975%0.747SS**THydrogen-bonded Turntrans-85.9-24.8176.5-82.6158.5000112.7A7 K8L5-A7 VanDerWaalsContact C-N 3.27Å; L5-A7 PolarHBondContact O-N 3.41Å; L5-K8 PolarHBondContact O-N 3.22Å
6A41.5Very low45.6Very low73 Ų73133 Ų13360%0.60376%0.756SS**G310 helixtrans-68.8-24.3173.500000113.2K8A6-K8 VanDerWaalsContact C-N 3.27Å; A6-K8 PolarHBondContact O-N 3.45Å
7A42.3Very low46.5Very low90 Ų90136.8 Ų136.874%0.74476%0.762SS**G310 helixtrans-77.3-10.9174.900000113.6L5L5-A7 VanDerWaalsContact C-N 3.27Å; L5-A7 PolarHBondContact O-N 3.41Å
8K46Very low47.3Very low185 Ų185139.4 Ų139.480%0.80477%0.768SS**G310 helixtrans-101.3-5.7178.9-102.3-177.8176.8-179.80114.4L5 A6L5-K8 PolarHBondContact O-N 3.22Å; A6-K8 VanDerWaalsContact C-N 3.27Å; A6-K8 PolarHBondContact O-N 3.45Å
9M44Very low48.7Very low136 Ų136134.5 Ų134.567%0.6775%0.747SS**SBendtrans-108.2102.8168.1-70.4-172.1177.800107.9F11M9-F11 VanDerWaalsContact C-N 3.31Å; M9-F11 HydrophobicContact CB-CD2 4.13Å; M9-F11 HydrophobicContact CB-CE2 4.25Å; M9-F11 WeakPolarHBondContact O-CD2 3.48Å; M9-F11 PolarHBondContact O-N 2.73Å
10G46Very low50.7Low71 Ų71135.6 Ų135.673%0.73274%0.744SS**  trans-58.876.5-170.900000116.1
11F43.2Very low52.7Low163 Ų163135.2 Ų135.272%0.71573%0.732SS**  trans-101.821.4173.5-78.1-77.2000113.6M9 S13M9-F11 VanDerWaalsContact C-N 3.31Å; M9-F11 HydrophobicContact CB-CD2 4.13Å; M9-F11 HydrophobicContact CB-CE2 4.25Å; M9-F11 WeakPolarHBondContact O-CD2 3.48Å; M9-F11 PolarHBondContact O-N 2.73Å; F11-S13 PolarHBondContact O-N 3.34Å
12N40.8Very low55Low163 Ų163125 Ų12587%0.87268%0.682SS**THydrogen-bonded Turntrans-79.17.1168.7-81.9-10.3000113.5
13S44.2Very low57.4Low97 Ų97125.5 Ų125.568%0.67867%0.667SS**THydrogen-bonded Turntrans-94.94.2-171.458.40000116F11F11-S13 PolarHBondContact O-N 3.34Å
14L45.9Very low59.7Low147 Ų147120.2 Ų120.277%0.7763%0.63SS**  trans-118.821.4-175.3-79.4159.4000115.1R16L14-R16 PolarHBondContact O-N 3.07Å; L14-R16 VanDerWaalsContact O-N 3.07Å
15I51.2Low62.1Low150 Ų150119.5 Ų119.577%0.76961%0.613SS**  trans-74.597.1157.1-58.1176.5000106.3K17I15-K17 PolarHBondContact O-N 2.84Å
16R53.7Low64.6Low238 Ų238113.7 Ų113.790%0.89858%0.583SS**  trans-50.5103.4167.7-115.1-179.9180176.60.3106.9L14 Q18L14-R16 PolarHBondContact O-N 3.07Å; L14-R16 VanDerWaalsContact O-N 3.07Å; R16-Q18 PolarHBondContact O-N 3.03Å
17K60.9Low67.3Low197 Ų197110.9 Ų110.986%0.85756%0.559SS**PPolyproline II helixtrans-51.8117.1170.2-84.7-178.7175.3176.30106.6I15 A19I15-K17 PolarHBondContact O-N 2.84Å; K17-A19 PolarHBondContact O-N 3.29Å; K17-A19 VanDerWaalsContact O-N 3.1Å
18Q61.2Low69.8Low185 Ų185107.4 Ų107.486%0.86453%0.528SS*.PPolyproline II helixtrans-53.2122171.4-91.6177.8-1600107.7R16 K20R16-Q18 PolarHBondContact O-N 3.03Å; Q18-K20 PolarHBondContact O-N 3.1Å
19A74.3Confident72Confident45 Ų45101 Ų10137%0.37250%0.502SS..PPolyproline II helixtrans-60.6129175.400000107.7K17 Y21K17-A19 PolarHBondContact O-N 3.29Å; K17-A19 VanDerWaalsContact O-N 3.1Å; A19-Y21 HydrophobicContact CB-CE2 3.79Å; A19-Y21 WeakPolarHBondContact O-CD2 3.01Å; A19-Y21 WeakPolarHBondContact O-CE2 3.12Å
20K87.8Confident74.1Confident157 Ų15799.1 Ų99.168%0.68349%0.491SS*.PPolyproline II helixtrans-84141.8172-68.1-174.9178.9-173.50108.3Q18 M39Q18-K20 PolarHBondContact O-N 3.1Å; K20-M39 HydrophobicContact CB-CG 3.77Å; K20-M39 HydrophobicContact CB-SD 3.32Å; K20-M39 WeakPolarHBondContact CB-SD 3.37Å; K20-M39 HydrophobicContact CD-SD 3.78Å; K20-M39 HydrophobicContact CG-SD 4.19Å; K20-M39 WeakPolarHBondContact O-CG 3.42Å; K20-M39 PolarHBondContact O-N 3.03Å
21Y93.3Very high76.3Confident128 Ų12898.4 Ų98.450%0.50248%0.475SS..EExtended strand (participates in β ladder)trans-124.2157.1-176.6-61-90.6000110.7A19 C37 E38A19-Y21 HydrophobicContact CB-CE2 3.79Å; A19-Y21 WeakPolarHBondContact O-CD2 3.01Å; A19-Y21 WeakPolarHBondContact O-CE2 3.12Å; Y21-C37 CarbonylContact C-O 3.49Å; Y21-C37 WeakPolarHBondContact CA-O 3.46Å; Y21-E38 HydrophobicContact CD1-CB 4.48Å; Y21-E38 HydrophobicContact CD1-CG 3.94Å; Y21-E38 HydrophobicContact CE1-CB 4.41Å; Y21-E38 HydrophobicContact CE1-CG 3.43Å; Y21-E38 VanDerWaalsContact CE1-CG 3.43Å
22F93.7Very high78.8Confident4 Ų495 Ų952%0.01846%0.464CS..EExtended strand (participates in β ladder)trans-128.3153.716864.7-81.7000109.2V24 C37 E38 V81 L82 E90 I92F22-V24 HydrophobicContact CD2-CG2 3.57Å; F22-V24 HydrophobicContact CE2-CG2 3.23Å; F22-V24 HydrophobicContact CZ-CG2 4.25Å; F22-C37 HydrophobicContact CD1-CB 4.01Å; F22-C37 VanDerWaalsContact CD1-O 3.25Å; F22-C37 WeakPolarHBondContact CD1-O 3.49Å; F22-C37 HydrophobicContact CD2-CB 4.27Å; F22-C37 HydrophobicContact CE1-CB 3.51Å; F22-C37 HydrophobicContact CE2-CB 3.82Å; F22-C37 HydrophobicContact CG-CB 4.37Å; F22-C37 HydrophobicContact CZ-CB 3.4Å; F22-C37 VanDerWaalsContact CZ-CB 3.4Å; F22-C37 PolarHBondContact N-O 3.49Å; F22-C37 PolarHBondContact O-N 3.07Å; F22-E38 WeakPolarHBondContact CE1-O 3.45Å; F22-V81 HydrophobicContact CE2-CB 4.33Å; F22-V81 HydrophobicContact CE2-CG1 3.96Å; F22-V81 HydrophobicContact CZ-CB 3.87Å; F22-V81 HydrophobicContact CZ-CG1 4.02Å; F22-V81 HydrophobicContact CZ-CG2 4.31Å; F22-L82 HydrophobicContact CD1-CD1 3.92Å; F22-L82 HydrophobicContact CD1-CD2 4.36Å; F22-L82 HydrophobicContact CD1-CG 4.26Å; F22-L82 HydrophobicContact CD2-CD2 3.94Å; F22-L82 HydrophobicContact CE1-CD1 4.17Å; F22-L82 HydrophobicContact CE1-CD2 4.47Å; F22-L82 HydrophobicContact CE1-CG 4.15Å; F22-L82 HydrophobicContact CE2-CD2 4.04Å; F22-L82 HydrophobicContact CE2-CG 4.49Å; F22-L82 HydrophobicContact CG-CD1 4.31Å; F22-L82 HydrophobicContact CG-CD2 4.1Å; F22-L82 HydrophobicContact CG-CG 4.49Å; F22-L82 HydrophobicContact CZ-CD2 4.32Å; F22-L82 HydrophobicContact CZ-CG 4.28Å; F22-E90 WeakPolarHBondContact CB-OE1 3.32Å; F22-I92 HydrophobicContact CD2-CD1 3.84Å; F22-I92 HydrophobicContact CE2-CD1 4.16Å
23K95.4Very high81.4Confident100 Ų10088.7 Ų88.744%0.43543%0.43SS..EExtended strand (participates in β ladder)trans-92.8139.9178.6-65.1-176.5-178.7-177.40112F35 E90 P91 I92K23-F35 WeakPolarHBondContact CA-O 3.37Å; K23-E90 PolarHBondContact N-OE2 3.49Å; K23-P91 HydrophobicContact CB-CB 4Å; K23-P91 WeakPolarHBondContact O-CA 3.43Å; K23-I92 PolarHBondContact O-N 2.88Å
24V96.6Very high83.8Confident0 Ų090.4 Ų90.40%043%0.427CS..EExtended strand (participates in β ladder)trans-129.1135.4177.4-179.40000109.3F22 I26 E34 F35 C37 L46 I92 F94F22-V24 HydrophobicContact CD2-CG2 3.57Å; F22-V24 HydrophobicContact CE2-CG2 3.23Å; F22-V24 HydrophobicContact CZ-CG2 4.25Å; V24-I26 HydrophobicContact CG1-CD1 3.55Å; V24-I26 HydrophobicContact CG1-CG1 4.14Å; V24-E34 CarbonylContact O-C 3.57Å; V24-E34 WeakPolarHBondContact O-CA 3.35Å; V24-F35 PolarHBondContact N-O 3.3Å; V24-F35 PolarHBondContact O-N 2.95Å; V24-C37 HydrophobicContact CG2-CB 4.34Å; V24-L46 HydrophobicContact CG1-CD1 4.34Å; V24-L46 HydrophobicContact CG1-CD2 4.11Å; V24-I92 CarbonylContact C-O 3.59Å; V24-I92 VanDerWaalsContact CA-O 3.31Å; V24-I92 WeakPolarHBondContact CA-O 2.69Å; V24-I92 WeakPolarHBondContact CG1-O 3.49Å; V24-F94 HydrophobicContact CG1-CD2 3.47Å; V24-F94 VanDerWaalsContact CG1-CD2 3.47Å; V24-F94 HydrophobicContact CG1-CE2 3.73Å; V24-F94 HydrophobicContact CG2-CE2 4.48Å
25K97.3Very high86.2Confident58 Ų5884.8 Ų84.825%0.25240%0.397SS..EExtended strand (participates in β ladder)trans-105.7125.8169.1-175.7-179.1179.3-173.90108.7D32 M33 E34 P91 I92 T93 F94K25-D32 WeakPolarHBondContact CE-OD2 3.32Å; K25-D32 IonicContact NZ-OD2 2.73Å; K25-D32 PolarHBondContact NZ-OD2 3.16Å; K25-M33 CarbonylContact C-O 3.49Å; K25-M33 WeakPolarHBondContact CA-O 3.27Å; K25-E34 HydrophobicContact CG-CG 4.5Å; K25-P91 HydrophobicContact CB-CB 4.06Å; K25-P91 HydrophobicContact CB-CG 4.11Å; K25-I92 PolarHBondContact N-O 2.87Å; K25-T93 CarbonylContact O-C 3.41Å; K25-T93 WeakPolarHBondContact O-CA 3.14Å; K25-F94 PolarHBondContact O-N 3.48Å
26I97.4Very high88.2Confident0 Ų084.9 Ų84.90%039%0.392CS..EExtended strand (participates in β ladder)trans-109.8110.7177.1-55.7-62000107.6V24 T28 D32 M33 F35 L46 V50 L64 F94 F96V24-I26 HydrophobicContact CG1-CD1 3.55Å; V24-I26 HydrophobicContact CG1-CG1 4.14Å; I26-T28 HydrophobicContact CG2-CG2 4.48Å; I26-D32 CarbonylContact O-C 3.51Å; I26-D32 WeakPolarHBondContact O-CA 3.36Å; I26-M33 HydrophobicContact CB-CB 4.47Å; I26-M33 PolarHBondContact N-O 3.07Å; I26-M33 PolarHBondContact O-N 2.93Å; I26-F35 HydrophobicContact CB-CD2 4.49Å; I26-F35 HydrophobicContact CB-CE2 4.17Å; I26-F35 HydrophobicContact CG1-CD2 3.68Å; I26-F35 HydrophobicContact CG1-CE2 3.69Å; I26-L46 HydrophobicContact CD1-CD1 4.36Å; I26-L46 HydrophobicContact CD1-CD2 4.48Å; I26-V50 HydrophobicContact CB-CG2 4.44Å; I26-V50 HydrophobicContact CD1-CG2 4.15Å; I26-V50 HydrophobicContact CG1-CG2 3.75Å; I26-V50 HydrophobicContact CG2-CG1 4.02Å; I26-V50 HydrophobicContact CG2-CG2 4.14Å; I26-L64 HydrophobicContact CD1-CD1 4.5Å; I26-L64 HydrophobicContact CD1-CD2 3.89Å; I26-L64 HydrophobicContact CG2-CD2 4.19Å; I26-F94 CarbonylContact C-O 3.6Å; I26-F94 WeakPolarHBondContact CA-O 3.25Å; I26-F94 HydrophobicContact CD1-CB 3.88Å; I26-F94 HydrophobicContact CD1-CD2 4.07Å; I26-F94 HydrophobicContact CD1-CG 4.38Å; I26-F96 HydrophobicContact CG2-CB 3.87Å
27C97.3Very high90.2Very high15 Ų1573.6 Ų73.610%0.10135%0.349CS..EExtended strand (participates in β ladder)trans-90117174.8-52.10000108.5D32 T93 F94 H95 F96C27-D32 WeakPolarHBondContact CA-OD1 3.5Å; C27-D32 WeakPolarHBondContact CB-OD1 3.49Å; C27-D32 PolarHBondContact SG-OD1 3.22Å; C27-T93 VanDerWaalsContact SG-CG2 3.59Å; C27-F94 PolarHBondContact N-O 2.9Å; C27-H95 CarbonylContact O-C 3.49Å; C27-H95 WeakPolarHBondContact O-CA 3.47Å; C27-F96 PolarHBondContact O-N 3.23Å
28T95.3Very high91.7Very high17 Ų1766.5 Ų66.510%0.10432%0.319CS..  trans-96.4-18016972.10000109.5I26 E30 S31 M33 L54 F96I26-T28 HydrophobicContact CG2-CG2 4.48Å; T28-E30 PolarHBondContact O-N 2.78Å; T28-E30 PolarHBondContact OG1-N 3.47Å; T28-S31 WeakPolarHBondContact CB-O 3.47Å; T28-S31 PolarHBondContact N-O 2.89Å; T28-S31 PolarHBondContact OG1-N 2.82Å; T28-S31 PolarHBondContact OG1-O 3.33Å; T28-M33 HydrophobicContact CG2-SD 4.46Å; T28-L54 HydrophobicContact CG2-CD1 4.28Å; T28-L54 HydrophobicContact CG2-CD2 4.34Å; T28-F96 HydrophobicContact CG2-CB 4.18Å
29M92.3Very high93.2Very high51 Ų5162.2 Ų62.225%0.25130%0.3SS..SBendtrans-69.8-14.5173.3-73.1-70.1163.900113.8L97 L117 L120 Q121 K124M29-L97 HydrophobicContact CE-CD2 3.23Å; M29-L117 HydrophobicContact CB-CD2 4.37Å; M29-L120 HydrophobicContact CB-CB 3.64Å; M29-L120 HydrophobicContact CB-CD1 3.96Å; M29-L120 HydrophobicContact CB-CG 4.5Å; M29-L120 HydrophobicContact CG-CB 4.17Å; M29-Q121 HydrophobicContact CE-CB 3.74Å; M29-Q121 HydrophobicContact CE-CG 3.67Å; M29-Q121 HydrophobicContact CG-CB 4.07Å; M29-Q121 HydrophobicContact SD-CB 4.2Å; M29-K124 HydrophobicContact CE-CD 4.19Å; M29-K124 HydrophobicContact SD-CD 4.02Å
30E89.4Confident94.1Very high95 Ų9567.1 Ų67.144%0.44431%0.313SS..SBendtrans-114.7-37.5-176.7-67.3-166.5121.900113.6T28 R116 L120T28-E30 PolarHBondContact O-N 2.78Å; T28-E30 PolarHBondContact OG1-N 3.47Å; E30-R116 WeakPolarHBondContact OE1-CG 3.37Å; E30-R116 IonicContact OE1-CZ 3.88Å; E30-R116 IonicContact OE1-NE 3.72Å; E30-R116 PolarHBondContact OE1-NE 3.09Å; E30-R116 IonicContact OE1-NH2 3.13Å; E30-R116 PolarHBondContact OE1-NH2 3.26Å; E30-R116 VanDerWaalsContact OE1-NH2 3.09Å; E30-L120 HydrophobicContact CB-CD1 4.47Å; E30-L120 HydrophobicContact CG-CD1 3.11Å
31S90.8Very high94.5Very high56 Ų5662 Ų6239%0.39229%0.289SS..  trans-153.9154.5-169.561.10000112.7T28T28-S31 WeakPolarHBondContact CB-O 3.47Å; T28-S31 PolarHBondContact N-O 2.89Å; T28-S31 PolarHBondContact OG1-N 2.82Å; T28-S31 PolarHBondContact OG1-O 3.33Å
32D95.3Very high94.7Very high92 Ų9260 Ų6049%0.49228%0.284SS..EExtended strand (participates in β ladder)trans-97.6137.8172.9-69.3-17.4000110.3K25 I26 C27K25-D32 WeakPolarHBondContact CE-OD2 3.32Å; K25-D32 IonicContact NZ-OD2 2.73Å; K25-D32 PolarHBondContact NZ-OD2 3.16Å; I26-D32 CarbonylContact O-C 3.51Å; I26-D32 WeakPolarHBondContact O-CA 3.36Å; C27-D32 WeakPolarHBondContact CA-OD1 3.5Å; C27-D32 WeakPolarHBondContact CB-OD1 3.49Å; C27-D32 PolarHBondContact SG-OD1 3.22Å
33M95.3Very high94.8Very high31 Ų3159.9 Ų59.915%0.15328%0.283CS..EExtended strand (participates in β ladder)trans-128.8134.6-178.1-67.8164.240.700110.4K25 I26 T28 F35 T53 L54K25-M33 CarbonylContact C-O 3.49Å; K25-M33 WeakPolarHBondContact CA-O 3.27Å; I26-M33 HydrophobicContact CB-CB 4.47Å; I26-M33 PolarHBondContact N-O 3.07Å; I26-M33 PolarHBondContact O-N 2.93Å; T28-M33 HydrophobicContact CG2-SD 4.46Å; M33-F35 HydrophobicContact CB-CE2 3.79Å; M33-F35 HydrophobicContact CB-CZ 4.26Å; M33-F35 HydrophobicContact CE-CE1 4.33Å; M33-F35 HydrophobicContact CE-CE2 3.61Å; M33-F35 HydrophobicContact CE-CZ 3.21Å; M33-T53 HydrophobicContact CE-CG2 3.44Å; M33-T53 VanDerWaalsContact CE-CG2 3.44Å; M33-L54 HydrophobicContact CE-CD2 4.44Å; M33-L54 HydrophobicContact SD-CD2 3.79Å; M33-L54 HydrophobicContact SD-CG 4.46Å
34E96.2Very high94.9Very high132 Ų13259.8 Ų59.862%0.61728%0.283SS*.EExtended strand (participates in β ladder)trans-108.5135.7177.1-70.4-168.2-175.900112.4V24 K25V24-E34 CarbonylContact O-C 3.57Å; V24-E34 WeakPolarHBondContact O-CA 3.35Å; K25-E34 HydrophobicContact CG-CG 4.5Å
35F94.9Very high95Very high29 Ų2963.1 Ų63.113%0.12730%0.3CS..EExtended strand (participates in β ladder)trans-128.9145.9-179.3-62.5-82.2000112.1K23 V24 I26 M33 L49 V50 T53K23-F35 WeakPolarHBondContact CA-O 3.37Å; V24-F35 PolarHBondContact N-O 3.3Å; V24-F35 PolarHBondContact O-N 2.95Å; I26-F35 HydrophobicContact CB-CD2 4.49Å; I26-F35 HydrophobicContact CB-CE2 4.17Å; I26-F35 HydrophobicContact CG1-CD2 3.68Å; I26-F35 HydrophobicContact CG1-CE2 3.69Å; M33-F35 HydrophobicContact CB-CE2 3.79Å; M33-F35 HydrophobicContact CB-CZ 4.26Å; M33-F35 HydrophobicContact CE-CE1 4.33Å; M33-F35 HydrophobicContact CE-CE2 3.61Å; M33-F35 HydrophobicContact CE-CZ 3.21Å; F35-L49 HydrophobicContact CB-CD2 4.48Å; F35-L49 HydrophobicContact CD1-CD2 3.52Å; F35-L49 HydrophobicContact CD1-CG 4.02Å; F35-L49 HydrophobicContact CE1-CD2 3.9Å; F35-L49 HydrophobicContact CE1-CG 3.85Å; F35-L49 HydrophobicContact CG-CD2 4.17Å; F35-V50 HydrophobicContact CE2-CG2 3.86Å; F35-V50 HydrophobicContact CZ-CG2 4.22Å; F35-T53 HydrophobicContact CE1-CG2 4.45Å; F35-T53 HydrophobicContact CZ-CG2 4.29Å
36K94.4Very high95Very high153 Ų15360.3 Ų60.367%0.66529%0.288SS*.EExtended strand (participates in β ladder)trans-99.2112.8166.8-69.8-179.8-177.7173.40109
37C94.3Very high95Very high0 Ų060.8 Ų60.80%029%0.29CS..EExtended strand (participates in β ladder)trans-107.4139.9-173.2-58.40000110.4Y21 F22 V24 W41Y21-C37 CarbonylContact C-O 3.49Å; Y21-C37 WeakPolarHBondContact CA-O 3.46Å; F22-C37 HydrophobicContact CD1-CB 4.01Å; F22-C37 VanDerWaalsContact CD1-O 3.25Å; F22-C37 WeakPolarHBondContact CD1-O 3.49Å; F22-C37 HydrophobicContact CD2-CB 4.27Å; F22-C37 HydrophobicContact CE1-CB 3.51Å; F22-C37 HydrophobicContact CE2-CB 3.82Å; F22-C37 HydrophobicContact CG-CB 4.37Å; F22-C37 HydrophobicContact CZ-CB 3.4Å; F22-C37 VanDerWaalsContact CZ-CB 3.4Å; F22-C37 PolarHBondContact N-O 3.49Å; F22-C37 PolarHBondContact O-N 3.07Å; V24-C37 HydrophobicContact CG2-CB 4.34Å; C37-W41 HydrophobicContact CB-CD2 4.12Å; C37-W41 HydrophobicContact CB-CE3 3.46Å; C37-W41 VanDerWaalsContact CB-CE3 3.46Å; C37-W41 HydrophobicContact CB-CZ3 3.74Å; C37-W41 VanDerWaalsContact SG-CZ3 3.51Å
38E94Very high95Very high49 Ų4962.6 Ų62.623%0.22930%0.299CS..EExtended strand (participates in β ladder)trans-72.2141.8175.7-58.4176.7-169.300110.4Y21 F22 K40 W41Y21-E38 HydrophobicContact CD1-CB 4.48Å; Y21-E38 HydrophobicContact CD1-CG 3.94Å; Y21-E38 HydrophobicContact CE1-CB 4.41Å; Y21-E38 HydrophobicContact CE1-CG 3.43Å; Y21-E38 VanDerWaalsContact CE1-CG 3.43Å; F22-E38 WeakPolarHBondContact CE1-O 3.45Å; E38-K40 HydrophobicContact CB-CG 4.26Å; E38-K40 PolarHBondContact O-N 3.35Å; E38-K40 WeakPolarHBondContact OE2-CE 3.45Å; E38-K40 IonicContact OE2-NZ 3.49Å; E38-K40 PolarHBondContact OE2-NZ 3.37Å; E38-W41 HydrophobicContact CB-CG 4.18Å; E38-W41 HydrophobicContact CG-CZ2 4.43Å; E38-W41 VanDerWaalsContact O-CB 3.32Å; E38-W41 WeakPolarHBondContact O-CB 3.45Å; E38-W41 PolarHBondContact O-N 3.18Å
39M91.8Very high95.1Very high95 Ų9563.9 Ų63.947%0.46831%0.305SS..THydrogen-bonded Turntrans-55.7-18.9-178.4-68.4-171.391.100115.1K20 L82K20-M39 HydrophobicContact CB-CG 3.77Å; K20-M39 HydrophobicContact CB-SD 3.32Å; K20-M39 WeakPolarHBondContact CB-SD 3.37Å; K20-M39 HydrophobicContact CD-SD 3.78Å; K20-M39 HydrophobicContact CG-SD 4.19Å; K20-M39 WeakPolarHBondContact O-CG 3.42Å; K20-M39 PolarHBondContact O-N 3.03Å; M39-L82 HydrophobicContact CE-CD1 4.14Å; M39-L82 HydrophobicContact CG-CD1 4.49Å
40K93.5Very high95.4Very high148 Ų14861.4 Ų61.464%0.64329%0.293SS*.THydrogen-bonded Turntrans-88.6-8.517863.8170.9171.8172.70114.2E38 K42E38-K40 HydrophobicContact CB-CG 4.26Å; E38-K40 PolarHBondContact O-N 3.35Å; E38-K40 WeakPolarHBondContact OE2-CE 3.45Å; E38-K40 IonicContact OE2-NZ 3.49Å; E38-K40 PolarHBondContact OE2-NZ 3.37Å; K40-K42 PolarHBondContact O-N 3.48Å
41W96.2Very high95.7Very high48 Ų4857.1 Ų57.118%0.18227%0.273CS..  trans-60.7135.1-175.2-78.69.9000112C37 E38 D45 L49 K80 V81C37-W41 HydrophobicContact CB-CD2 4.12Å; C37-W41 HydrophobicContact CB-CE3 3.46Å; C37-W41 VanDerWaalsContact CB-CE3 3.46Å; C37-W41 HydrophobicContact CB-CZ3 3.74Å; C37-W41 VanDerWaalsContact SG-CZ3 3.51Å; E38-W41 HydrophobicContact CB-CG 4.18Å; E38-W41 HydrophobicContact CG-CZ2 4.43Å; E38-W41 VanDerWaalsContact O-CB 3.32Å; E38-W41 WeakPolarHBondContact O-CB 3.45Å; E38-W41 PolarHBondContact O-N 3.18Å; W41-D45 HydrophobicContact CB-CB 4.07Å; W41-D45 HydrophobicContact CD2-CB 4.12Å; W41-D45 HydrophobicContact CE3-CB 4.46Å; W41-D45 HydrophobicContact CG-CB 3.94Å; W41-L49 HydrophobicContact CH2-CD2 3.63Å; W41-L49 HydrophobicContact CZ3-CD2 3.62Å; W41-K80 WeakPolarHBondContact O-CA 3.38Å; W41-V81 PolarHBondContact O-N 3.13Å; W41-V81 VanDerWaalsContact O-N 3.09Å
42K97.4Very high96Very high88 Ų8862.9 Ų62.938%0.38329%0.286SS..BIsolated β-bridgetrans-80.8164.3167.6-65.3-177.5173.6-172.60110.5K40 K44 D45 L46 E78 R79K40-K42 PolarHBondContact O-N 3.48Å; K42-K44 PolarHBondContact O-N 3.34Å; K42-D45 WeakPolarHBondContact CB-OD2 3.35Å; K42-D45 PolarHBondContact N-OD2 3.27Å; K42-D45 PolarHBondContact O-N 3.15Å; K42-D45 VanDerWaalsContact O-N 3.09Å; K42-L46 PolarHBondContact O-N 2.91Å; K42-E78 IonicContact NZ-OE2 3.79Å; K42-R79 CarbonylContact C-O 3.52Å; K42-R79 VanDerWaalsContact CA-O 3.27Å; K42-R79 WeakPolarHBondContact CA-O 3.27Å
43G96.7Very high96.1Very high0 Ų062.2 Ų62.20%029%0.285CS..Hα-helixtrans-54.8-36.4172.700000112.2L46 F47 M77 R79G43-L46 PolarHBondContact O-N 3.02Å; G43-F47 VanDerWaalsContact O-CB 3.27Å; G43-F47 WeakPolarHBondContact O-CB 3.44Å; G43-F47 PolarHBondContact O-N 3.34Å; G43-M77 PolarHBondContact N-O 3.47Å; G43-R79 PolarHBondContact N-O 2.99Å
44K97.3Very high96.1Very high99 Ų9962.3 Ų62.343%0.4329%0.287SS..Hα-helixtrans-60.5-44.7175.1-173.3168.5-178.3171.50113K42 L46 F47 D48 M77K42-K44 PolarHBondContact O-N 3.34Å; K44-L46 VanDerWaalsContact C-N 3.33Å; K44-L46 PolarHBondContact O-N 3.42Å; K44-F47 PolarHBondContact O-N 3.09Å; K44-D48 WeakPolarHBondContact CE-OD2 3.36Å; K44-D48 WeakPolarHBondContact CG-OD2 3.37Å; K44-D48 VanDerWaalsContact O-CB 3.32Å; K44-D48 WeakPolarHBondContact O-CB 3.36Å; K44-D48 PolarHBondContact O-N 3.25Å; K44-M77 HydrophobicContact CB-CB 4.1Å; K44-M77 WeakPolarHBondContact CB-O 3.46Å; K44-M77 PolarHBondContact N-O 2.98Å
45D97.4Very high96Very high69 Ų6958.2 Ų58.237%0.36928%0.279SS..Hα-helixtrans-62.8-43-177.9-56.6-49.8000111.2W41 K42 L49W41-D45 HydrophobicContact CB-CB 4.07Å; W41-D45 HydrophobicContact CD2-CB 4.12Å; W41-D45 HydrophobicContact CE3-CB 4.46Å; W41-D45 HydrophobicContact CG-CB 3.94Å; K42-D45 WeakPolarHBondContact CB-OD2 3.35Å; K42-D45 PolarHBondContact N-OD2 3.27Å; K42-D45 PolarHBondContact O-N 3.15Å; K42-D45 VanDerWaalsContact O-N 3.09Å; D45-L49 WeakPolarHBondContact O-CB 3.31Å; D45-L49 PolarHBondContact O-N 2.95Å; D45-L49 VanDerWaalsContact O-N 3.15Å
46L97.6Very high96.1Very high0 Ų057.1 Ų57.10%028%0.275CS..Hα-helixtrans-65.2-48174.7174.958.8000111.3V24 I26 K42 G43 K44 L49 V50 L64 L75 V81 F94V24-L46 HydrophobicContact CG1-CD1 4.34Å; V24-L46 HydrophobicContact CG1-CD2 4.11Å; I26-L46 HydrophobicContact CD1-CD1 4.36Å; I26-L46 HydrophobicContact CD1-CD2 4.48Å; K42-L46 PolarHBondContact O-N 2.91Å; G43-L46 PolarHBondContact O-N 3.02Å; K44-L46 VanDerWaalsContact C-N 3.33Å; K44-L46 PolarHBondContact O-N 3.42Å; L46-L49 WeakPolarHBondContact O-CB 3.39Å; L46-L49 PolarHBondContact O-N 3.49Å; L46-V50 HydrophobicContact CD1-CG2 4.35Å; L46-V50 WeakPolarHBondContact O-CG2 3.45Å; L46-V50 PolarHBondContact O-N 3.46Å; L46-L64 HydrophobicContact CD2-CD1 3.97Å; L46-L64 HydrophobicContact CG-CD1 3.89Å; L46-L75 HydrophobicContact CD2-CD2 4.11Å; L46-V81 HydrophobicContact CB-CG2 4.3Å; L46-V81 HydrophobicContact CD2-CG1 4.44Å; L46-V81 HydrophobicContact CD2-CG2 4.13Å; L46-F94 HydrophobicContact CD2-CD2 4.27Å; L46-F94 HydrophobicContact CD2-CE2 4.1Å
47F98Very high96.1Very high10 Ų1053.7 Ų53.74%0.04426%0.258CS..Hα-helixtrans-61.8-46.5-179.3-177-105.5000112.3G43 K44 L49 V50 C51 T59 F62 L64 M77 F96G43-F47 VanDerWaalsContact O-CB 3.27Å; G43-F47 WeakPolarHBondContact O-CB 3.44Å; G43-F47 PolarHBondContact O-N 3.34Å; K44-F47 PolarHBondContact O-N 3.09Å; F47-L49 VanDerWaalsContact C-N 3.27Å; F47-L49 PolarHBondContact O-N 3.5Å; F47-V50 PolarHBondContact O-N 3.24Å; F47-V50 VanDerWaalsContact O-N 3.13Å; F47-C51 PolarHBondContact O-N 3.3Å; F47-C51 PolarHBondContact O-SG 2.82Å; F47-C51 VanDerWaalsContact O-SG 3.41Å; F47-T59 HydrophobicContact CE1-CG2 4.5Å; F47-T59 WeakPolarHBondContact CZ-O 3.31Å; F47-F62 HydrophobicContact CE2-CB 4.17Å; F47-F62 HydrophobicContact CZ-CB 4.16Å; F47-F62 WeakPolarHBondContact CZ-O 3.33Å; F47-L64 HydrophobicContact CB-CD1 4.27Å; F47-L64 HydrophobicContact CD2-CD1 4.27Å; F47-L64 HydrophobicContact CD2-CG 4.11Å; F47-M77 HydrophobicContact CB-CE 4.07Å; F47-M77 HydrophobicContact CB-SD 3.9Å; F47-M77 HydrophobicContact CD1-CE 3.65Å; F47-M77 HydrophobicContact CD1-SD 4.22Å; F47-M77 HydrophobicContact CD2-CE 3.72Å; F47-M77 HydrophobicContact CE1-CE 3.87Å; F47-M77 HydrophobicContact CE2-CE 3.97Å; F47-M77 HydrophobicContact CG-CE 3.54Å; F47-M77 HydrophobicContact CG-SD 4.03Å; F47-M77 HydrophobicContact CZ-CE 4.03Å; F47-F96 HydrophobicContact CD2-CE2 4.06Å; F47-F96 HydrophobicContact CE2-CD2 4.25Å; F47-F96 AromaticContact CE2-CE2 3.56Å; F47-F96 HydrophobicContact CE2-CE2 3.56Å; F47-F96 HydrophobicContact CE2-CZ 4.41Å; F47-F96 HydrophobicContact CZ-CE2 4.34Å
48D97.8Very high96.2Very high53 Ų5353.7 Ų53.728%0.28326%0.258SS..Hα-helixtrans-63.8-32.6177.7-69-10.3000111.6K44 R52K44-D48 WeakPolarHBondContact CE-OD2 3.36Å; K44-D48 WeakPolarHBondContact CG-OD2 3.37Å; K44-D48 VanDerWaalsContact O-CB 3.32Å; K44-D48 WeakPolarHBondContact O-CB 3.36Å; K44-D48 PolarHBondContact O-N 3.25Å; D48-R52 WeakPolarHBondContact O-CB 3.45Å; D48-R52 VanDerWaalsContact O-CG 3.31Å; D48-R52 WeakPolarHBondContact O-CG 3.46Å; D48-R52 PolarHBondContact O-N 3.03Å; D48-R52 VanDerWaalsContact O-N 3.1Å; D48-R52 PolarHBondContact O-NE 2.83Å; D48-R52 VanDerWaalsContact O-NE 3.13Å
49L97.3Very high96.3Very high43 Ų4353.6 Ų53.623%0.22526%0.26CS..Hα-helixtrans-66-45.9172179.363.6000111.7F35 W41 D45 L46 F47 R52 T53F35-L49 HydrophobicContact CB-CD2 4.48Å; F35-L49 HydrophobicContact CD1-CD2 3.52Å; F35-L49 HydrophobicContact CD1-CG 4.02Å; F35-L49 HydrophobicContact CE1-CD2 3.9Å; F35-L49 HydrophobicContact CE1-CG 3.85Å; F35-L49 HydrophobicContact CG-CD2 4.17Å; W41-L49 HydrophobicContact CH2-CD2 3.63Å; W41-L49 HydrophobicContact CZ3-CD2 3.62Å; D45-L49 WeakPolarHBondContact O-CB 3.31Å; D45-L49 PolarHBondContact O-N 2.95Å; D45-L49 VanDerWaalsContact O-N 3.15Å; L46-L49 WeakPolarHBondContact O-CB 3.39Å; L46-L49 PolarHBondContact O-N 3.49Å; F47-L49 VanDerWaalsContact C-N 3.27Å; F47-L49 PolarHBondContact O-N 3.5Å; L49-R52 PolarHBondContact O-N 3.39Å; L49-T53 WeakPolarHBondContact O-CB 3.39Å; L49-T53 PolarHBondContact O-N 2.85Å; L49-T53 PolarHBondContact O-OG1 3.06Å
50V97.1Very high96.5Very high0 Ų051.9 Ų51.90%025%0.249CC..Hα-helixtrans-60.8-50.8177.5174.50000110.5I26 F35 L46 F47 R52 T53 L54 F96I26-V50 HydrophobicContact CB-CG2 4.44Å; I26-V50 HydrophobicContact CD1-CG2 4.15Å; I26-V50 HydrophobicContact CG1-CG2 3.75Å; I26-V50 HydrophobicContact CG2-CG1 4.02Å; I26-V50 HydrophobicContact CG2-CG2 4.14Å; F35-V50 HydrophobicContact CE2-CG2 3.86Å; F35-V50 HydrophobicContact CZ-CG2 4.22Å; L46-V50 HydrophobicContact CD1-CG2 4.35Å; L46-V50 WeakPolarHBondContact O-CG2 3.45Å; L46-V50 PolarHBondContact O-N 3.46Å; F47-V50 PolarHBondContact O-N 3.24Å; F47-V50 VanDerWaalsContact O-N 3.13Å; V50-R52 PolarHBondContact O-N 2.84Å; V50-T53 PolarHBondContact O-N 2.86Å; V50-T53 VanDerWaalsContact O-N 3.09Å; V50-L54 HydrophobicContact CG1-CD1 3.87Å; V50-L54 HydrophobicContact CG1-CG 4.46Å; V50-L54 WeakPolarHBondContact O-CG 3.32Å; V50-L54 PolarHBondContact O-N 3.36Å; V50-F96 HydrophobicContact CG1-CD2 3.58Å; V50-F96 HydrophobicContact CG1-CE2 3.87Å; V50-F96 HydrophobicContact CG1-CG 4.12Å
51C97.3Very high96.7Very high4 Ų444.8 Ų44.83%0.02722%0.218CC..Hα-helixtrans-58.8-43.4179.4-67.90000112.5F47 T53 L54 G55 L56 T59F47-C51 PolarHBondContact O-N 3.3Å; F47-C51 PolarHBondContact O-SG 2.82Å; F47-C51 VanDerWaalsContact O-SG 3.41Å; C51-T53 VanDerWaalsContact C-N 3.34Å; C51-T53 PolarHBondContact O-N 2.8Å; C51-L54 PolarHBondContact O-N 3.36Å; C51-G55 PolarHBondContact O-N 2.72Å; C51-L56 PolarHBondContact O-N 3.09Å; C51-T59 HydrophobicContact CB-CG2 3.81Å
52R96.6Very high96.7Very high177 Ų17743 Ų4367%0.66821%0.212SC*.Hα-helixtrans-63.9-38.1175.1-77.5-178-65.4-148.4-0.8112.9D48 L49 V50 L54 G55D48-R52 WeakPolarHBondContact O-CB 3.45Å; D48-R52 VanDerWaalsContact O-CG 3.31Å; D48-R52 WeakPolarHBondContact O-CG 3.46Å; D48-R52 PolarHBondContact O-N 3.03Å; D48-R52 VanDerWaalsContact O-N 3.1Å; D48-R52 PolarHBondContact O-NE 2.83Å; D48-R52 VanDerWaalsContact O-NE 3.13Å; L49-R52 PolarHBondContact O-N 3.39Å; V50-R52 PolarHBondContact O-N 2.84Å; R52-L54 VanDerWaalsContact C-N 3.31Å; R52-G55 PolarHBondContact O-N 2.75Å
53T96.3Very high96.7Very high78 Ų7839 Ų3948%0.47920%0.195SC..Hα-helixtrans-67.4-35.8178.9-52.20000111.2M33 F35 L49 V50 C51 G55M33-T53 HydrophobicContact CE-CG2 3.44Å; M33-T53 VanDerWaalsContact CE-CG2 3.44Å; F35-T53 HydrophobicContact CE1-CG2 4.45Å; F35-T53 HydrophobicContact CZ-CG2 4.29Å; L49-T53 WeakPolarHBondContact O-CB 3.39Å; L49-T53 PolarHBondContact O-N 2.85Å; L49-T53 PolarHBondContact O-OG1 3.06Å; V50-T53 PolarHBondContact O-N 2.86Å; V50-T53 VanDerWaalsContact O-N 3.09Å; C51-T53 VanDerWaalsContact C-N 3.34Å; C51-T53 PolarHBondContact O-N 2.8Å; T53-G55 VanDerWaalsContact C-N 3.34Å
54L95.5Very high96.8Very high34 Ų3439 Ų3918%0.17820%0.196CC..Hα-helixtrans-80.1-10.5175.2-65.8173.3000113.8T28 M33 V50 C51 R52 L56 F96T28-L54 HydrophobicContact CG2-CD1 4.28Å; T28-L54 HydrophobicContact CG2-CD2 4.34Å; M33-L54 HydrophobicContact CE-CD2 4.44Å; M33-L54 HydrophobicContact SD-CD2 3.79Å; M33-L54 HydrophobicContact SD-CG 4.46Å; V50-L54 HydrophobicContact CG1-CD1 3.87Å; V50-L54 HydrophobicContact CG1-CG 4.46Å; V50-L54 WeakPolarHBondContact O-CG 3.32Å; V50-L54 PolarHBondContact O-N 3.36Å; C51-L54 PolarHBondContact O-N 3.36Å; R52-L54 VanDerWaalsContact C-N 3.31Å; L54-L56 HydrophobicContact CB-CB 4.2Å; L54-L56 PolarHBondContact O-N 3.3Å; L54-F96 HydrophobicContact CD1-CD1 4Å; L54-F96 HydrophobicContact CD1-CE1 3.83Å; L54-F96 HydrophobicContact CD1-CG 4.49Å; L54-F96 HydrophobicContact CD1-CZ 4.17Å
55G95.3Very high96.7Very high45 Ų4535.2 Ų35.246%0.46418%0.179SC..THydrogen-bonded Turntrans69.120.6-17100000114C51 R52 T53 Q111C51-G55 PolarHBondContact O-N 2.72Å; R52-G55 PolarHBondContact O-N 2.75Å; T53-G55 VanDerWaalsContact C-N 3.34Å; G55-Q111 PolarHBondContact O-NE2 3.46Å
56L95.8Very high96.5Very high7 Ų732.6 Ų32.64%0.03716%0.164CC..  trans-92122.3-175.5-169.2150.2000111.1C51 L54 T59 F62 F96 I113 L117C51-L56 PolarHBondContact O-N 3.09Å; L54-L56 HydrophobicContact CB-CB 4.2Å; L54-L56 PolarHBondContact O-N 3.3Å; L56-T59 HydrophobicContact CD2-CG2 4Å; L56-F62 HydrophobicContact CD1-CD2 3.9Å; L56-F62 HydrophobicContact CD1-CE2 3.55Å; L56-F62 HydrophobicContact CD1-CZ 3.9Å; L56-F62 HydrophobicContact CD2-CD2 3.89Å; L56-F62 HydrophobicContact CD2-CE2 4.13Å; L56-F62 HydrophobicContact CG-CE2 4.37Å; L56-F96 HydrophobicContact CD1-CE1 4.19Å; L56-F96 HydrophobicContact CD1-CZ 4.28Å; L56-I113 HydrophobicContact CB-CG2 4.36Å; L56-L117 HydrophobicContact CD1-CD1 3.79Å
57R95.8Very high96Very high81 Ų8137.5 Ų37.531%0.30619%0.19SC..  trans-105.3-25.7178.8-58.4175.562-166.6-2.9112.5T59 Q111 E317 M321R57-T59 PolarHBondContact O-N 3.37Å; R57-Q111 VanDerWaalsContact CB-OE1 3.29Å; R57-E317 IonicContact CZ-OE1 3.21Å; R57-E317 IonicContact NE-OE1 3.38Å; R57-E317 IonicContact NH2-OE1 2.86Å; R57-E317 PolarHBondContact NH2-OE1 3.26Å; R57-M321 HydrophobicContact CB-SD 4Å
58E96.1Very high95.3Very high0 Ų038 Ų380%019%0.194CC..  trans-75.750.6176.5-65172.696.300112.6W60 F61 E108 V110 Q111 T114 M321E58-W60 HydrophobicContact CB-CH2 4.34Å; E58-W60 HydrophobicContact CB-CZ2 3.98Å; E58-W60 HydrophobicContact CG-CH2 4.05Å; E58-W60 HydrophobicContact CG-CZ2 3.78Å; E58-W60 PolarHBondContact O-N 2.91Å; E58-W60 VanDerWaalsContact O-N 3.11Å; E58-F61 HydrophobicContact CB-CD2 4.2Å; E58-F61 HydrophobicContact CB-CE2 4.48Å; E58-F61 PolarHBondContact O-N 2.99Å; E58-E108 VanDerWaalsContact OE1-O 3.12Å; E58-V110 PolarHBondContact OE1-N 2.67Å; E58-V110 PolarHBondContact OE2-N 2.91Å; E58-Q111 HydrophobicContact CG-CG 4.49Å; E58-Q111 VanDerWaalsContact OE2-CB 3.27Å; E58-Q111 WeakPolarHBondContact OE2-CB 3.46Å; E58-Q111 WeakPolarHBondContact OE2-CG 3.47Å; E58-Q111 PolarHBondContact OE2-N 3.47Å; E58-T114 HydrophobicContact CB-CG2 3.96Å; E58-T114 WeakPolarHBondContact OE2-CB 3.35Å; E58-T114 WeakPolarHBondContact OE2-CG2 3.08Å; E58-T114 PolarHBondContact OE2-OG1 3.24Å; E58-M321 HydrophobicContact CG-CE 3.6Å; E58-M321 HydrophobicContact CG-SD 3.94Å
59T96Very high94.4Very high46 Ų4643.3 Ų43.328%0.28221%0.214SC..G310 helixtrans-67.2-18.4-167.864.50000113.7F47 C51 L56 R57 F61 F62F47-T59 HydrophobicContact CE1-CG2 4.5Å; F47-T59 WeakPolarHBondContact CZ-O 3.31Å; C51-T59 HydrophobicContact CB-CG2 3.81Å; L56-T59 HydrophobicContact CD2-CG2 4Å; R57-T59 PolarHBondContact O-N 3.37Å; T59-F61 PolarHBondContact O-N 3.45Å; T59-F62 PolarHBondContact O-N 3.1Å
60W95.2Very high93.2Very high59 Ų5949.2 Ų49.222%0.22325%0.246CC..G310 helixtrans-67.9-15.2-177.252.578.1000114.8E58 F100 L306 R309 V318 M321E58-W60 HydrophobicContact CB-CH2 4.34Å; E58-W60 HydrophobicContact CB-CZ2 3.98Å; E58-W60 HydrophobicContact CG-CH2 4.05Å; E58-W60 HydrophobicContact CG-CZ2 3.78Å; E58-W60 PolarHBondContact O-N 2.91Å; E58-W60 VanDerWaalsContact O-N 3.11Å; W60-F100 WeakPolarHBondContact O-CD2 3.43Å; W60-L306 HydrophobicContact CB-CD2 4.07Å; W60-L306 HydrophobicContact CG-CD2 4.11Å; W60-R309 VanDerWaalsContact CD2-NH1 3.26Å; W60-R309 VanDerWaalsContact CZ3-NH2 3.31Å; W60-V318 HydrophobicContact CH2-CG2 3.78Å; W60-V318 HydrophobicContact CZ2-CG2 4.42Å; W60-V318 HydrophobicContact CZ3-CG2 4.41Å; W60-M321 HydrophobicContact CH2-CE 3.96Å; W60-M321 HydrophobicContact CZ2-CE 4.3Å
61F97.4Very high92.3Very high0 Ų051.2 Ų51.20%026%0.258CS..G310 helixtrans-83.8-24.3174-67.1-57.2000113.3E58 T59 A98 K99 F100 P102 E108 L109 T114 F118E58-F61 HydrophobicContact CB-CD2 4.2Å; E58-F61 HydrophobicContact CB-CE2 4.48Å; E58-F61 PolarHBondContact O-N 2.99Å; T59-F61 PolarHBondContact O-N 3.45Å; F61-A98 CarbonylContact O-C 3.55Å; F61-K99 PolarHBondContact O-N 2.97Å; F61-F100 VanDerWaalsContact CD1-O 3.3Å; F61-F100 WeakPolarHBondContact CD1-O 3.38Å; F61-F100 PolarHBondContact O-N 2.94Å; F61-P102 HydrophobicContact CE1-CB 4.25Å; F61-P102 HydrophobicContact CZ-CB 4.3Å; F61-E108 HydrophobicContact CZ-CB 4.23Å; F61-L109 HydrophobicContact CD2-CD2 4.32Å; F61-L109 HydrophobicContact CE2-CD2 3.93Å; F61-L109 HydrophobicContact CZ-CD2 4.39Å; F61-T114 HydrophobicContact CD2-CG2 4.16Å; F61-F118 HydrophobicContact CB-CE2 3.73Å; F61-F118 HydrophobicContact CB-CZ 3.75Å; F61-F118 HydrophobicContact CD1-CE2 4.42Å; F61-F118 HydrophobicContact CD1-CZ 4.03Å; F61-F118 HydrophobicContact CD2-CE2 4Å; F61-F118 HydrophobicContact CD2-CZ 4.42Å; F61-F118 AromaticContact CG-CE2 3.81Å; F61-F118 HydrophobicContact CG-CE2 3.81Å; F61-F118 AromaticContact CG-CZ 3.83Å; F61-F118 HydrophobicContact CG-CZ 3.83Å
62F97.9Very high91.8Very high10 Ų1056.3 Ų56.34%0.04428%0.281CS..EExtended strand (participates in β ladder)trans-105.6161.6-164.1-63.4-89.7000113.5F47 L56 T59 F96 L97 A98 T114 L117 F118F47-F62 HydrophobicContact CE2-CB 4.17Å; F47-F62 HydrophobicContact CZ-CB 4.16Å; F47-F62 WeakPolarHBondContact CZ-O 3.33Å; L56-F62 HydrophobicContact CD1-CD2 3.9Å; L56-F62 HydrophobicContact CD1-CE2 3.55Å; L56-F62 HydrophobicContact CD1-CZ 3.9Å; L56-F62 HydrophobicContact CD2-CD2 3.89Å; L56-F62 HydrophobicContact CD2-CE2 4.13Å; L56-F62 HydrophobicContact CG-CE2 4.37Å; T59-F62 PolarHBondContact O-N 3.1Å; F62-F96 HydrophobicContact CB-CE1 3.87Å; F62-F96 HydrophobicContact CB-CE2 3.89Å; F62-F96 HydrophobicContact CB-CZ 3.43Å; F62-F96 VanDerWaalsContact CB-CZ 3.43Å; F62-F96 AromaticContact CD1-CD1 3.96Å; F62-F96 HydrophobicContact CD1-CD1 3.96Å; F62-F96 AromaticContact CD1-CE1 3.32Å; F62-F96 HydrophobicContact CD1-CE1 3.32Å; F62-F96 AromaticContact CD1-CZ 3.82Å; F62-F96 HydrophobicContact CD1-CZ 3.82Å; F62-F96 HydrophobicContact CD2-CE1 4.38Å; F62-F96 HydrophobicContact CD2-CZ 4.26Å; F62-F96 AromaticContact CE1-CE1 3.94Å; F62-F96 HydrophobicContact CE1-CE1 3.94Å; F62-F96 AromaticContact CG-CE1 3.59Å; F62-F96 HydrophobicContact CG-CE1 3.59Å; F62-F96 HydrophobicContact CG-CE2 4.48Å; F62-F96 AromaticContact CG-CZ 3.57Å; F62-F96 HydrophobicContact CG-CZ 3.57Å; F62-L97 CarbonylContact C-O 3.58Å; F62-L97 WeakPolarHBondContact CA-O 3.45Å; F62-A98 HydrophobicContact CD1-CB 4.29Å; F62-A98 HydrophobicContact CE1-CB 4.07Å; F62-T114 HydrophobicContact CE2-CG2 3.88Å; F62-T114 HydrophobicContact CZ-CG2 4.16Å; F62-L117 HydrophobicContact CE1-CB 3.87Å; F62-L117 HydrophobicContact CE1-CD1 3.96Å; F62-L117 HydrophobicContact CZ-CB 4.05Å; F62-L117 HydrophobicContact CZ-CD1 4.16Å; F62-F118 HydrophobicContact CE2-CE2 4.25Å; F62-F118 HydrophobicContact CZ-CD2 4.05Å; F62-F118 AromaticContact CZ-CE2 3.96Å; F62-F118 HydrophobicContact CZ-CE2 3.96Å
63G97.3Very high91.4Very high4 Ų448.8 Ų48.84%0.04126%0.257CS..EExtended strand (participates in β ladder)trans-153.9173.3170.500000111.9L97G63-L97 PolarHBondContact N-O 2.96Å; G63-L97 PolarHBondContact O-N 2.97Å
64L97.3Very high91.3Very high1 Ų146.4 Ų46.41%0.00524%0.239CC..EExtended strand (participates in β ladder)trans-104.5113.5173.3-69.4169.9000109.5I26 L46 F47 W74 L75 F94 H95 F96I26-L64 HydrophobicContact CD1-CD1 4.5Å; I26-L64 HydrophobicContact CD1-CD2 3.89Å; I26-L64 HydrophobicContact CG2-CD2 4.19Å; L46-L64 HydrophobicContact CD2-CD1 3.97Å; L46-L64 HydrophobicContact CG-CD1 3.89Å; F47-L64 HydrophobicContact CB-CD1 4.27Å; F47-L64 HydrophobicContact CD2-CD1 4.27Å; F47-L64 HydrophobicContact CD2-CG 4.11Å; L64-W74 CarbonylContact O-C 3.55Å; L64-W74 WeakPolarHBondContact O-CA 3.28Å; L64-L75 HydrophobicContact CB-CB 3.88Å; L64-L75 HydrophobicContact CB-CD2 4.1Å; L64-L75 HydrophobicContact CD1-CD2 3.67Å; L64-L75 WeakPolarHBondContact O-CB 3.44Å; L64-L75 PolarHBondContact O-N 3.32Å; L64-F94 HydrophobicContact CB-CB 4.18Å; L64-F94 HydrophobicContact CB-CD1 4.24Å; L64-F94 HydrophobicContact CB-CG 4.41Å; L64-F94 HydrophobicContact CD2-CB 4.04Å; L64-H95 CarbonylContact C-O 3.57Å; L64-H95 WeakPolarHBondContact CA-O 3.33Å; L64-F96 HydrophobicContact CD2-CB 4Å; L64-F96 HydrophobicContact CD2-CD2 3.89Å; L64-F96 HydrophobicContact CD2-CG 4.46Å
65Q95.8Very high91.3Very high19 Ų1945.3 Ų45.39%0.08923%0.233CC..EExtended strand (participates in β ladder)trans-95.6143.8178.1-164.6-166.142.600110.5E72 A73 W74 F94 H95 L97Q65-E72 HydrophobicContact CG-CB 4.39Å; Q65-E72 PolarHBondContact NE2-OE1 2.82Å; Q65-E72 PolarHBondContact NE2-OE2 2.87Å; Q65-A73 CarbonylContact C-O 3.48Å; Q65-A73 VanDerWaalsContact CA-O 3.32Å; Q65-A73 WeakPolarHBondContact CA-O 3.32Å; Q65-W74 HydrophobicContact CB-CD2 4.29Å; Q65-W74 HydrophobicContact CB-CE3 3.99Å; Q65-W74 HydrophobicContact CB-CH2 4.23Å; Q65-W74 HydrophobicContact CB-CZ2 4.48Å; Q65-W74 HydrophobicContact CB-CZ3 3.96Å; Q65-W74 HydrophobicContact CG-CD2 4.43Å; Q65-W74 HydrophobicContact CG-CZ2 4.46Å; Q65-F94 CarbonylContact O-C 3.51Å; Q65-F94 VanDerWaalsContact O-CA 3.28Å; Q65-F94 WeakPolarHBondContact O-CA 3.36Å; Q65-H95 HydrophobicContact CB-CB 4.42Å; Q65-H95 PolarHBondContact N-O 3.13Å; Q65-H95 PolarHBondContact O-N 3.18Å; Q65-L97 HydrophobicContact CB-CD1 4.18Å
66Y93.6Very high91.2Very high14 Ų1446.6 Ų46.66%0.05523%0.226CC..EExtended strand (participates in β ladder)trans-148.5164.2173.364.5-73000110.1I68 A73 L75 Q84 V86 F94Y66-I68 HydrophobicContact CD2-CD1 4.45Å; Y66-I68 HydrophobicContact CD2-CG1 3.83Å; Y66-I68 HydrophobicContact CE2-CD1 3.49Å; Y66-I68 VanDerWaalsContact CE2-CD1 3.49Å; Y66-I68 HydrophobicContact CE2-CG1 3.29Å; Y66-A73 HydrophobicContact CD1-CB 4.49Å; Y66-A73 WeakPolarHBondContact CD1-O 3.47Å; Y66-A73 HydrophobicContact CE1-CB 3.96Å; Y66-A73 HydrophobicContact CE2-CB 4.28Å; Y66-A73 PolarHBondContact N-O 3.41Å; Y66-A73 PolarHBondContact O-N 2.82Å; Y66-L75 HydrophobicContact CE1-CB 4.41Å; Y66-Q84 WeakPolarHBondContact CE2-O 3.37Å; Y66-Q84 PolarHBondContact OH-O 2.95Å; Y66-V86 HydrophobicContact CD2-CB 4.45Å; Y66-V86 HydrophobicContact CD2-CG1 3.83Å; Y66-V86 HydrophobicContact CE2-CB 4.46Å; Y66-V86 HydrophobicContact CE2-CG1 3.65Å; Y66-V86 HydrophobicContact CG-CG1 4.37Å; Y66-F94 AromaticContact CD1-CD1 3.85Å; Y66-F94 HydrophobicContact CD1-CD1 3.85Å; Y66-F94 AromaticContact CD1-CE1 3.66Å; Y66-F94 HydrophobicContact CD1-CE1 3.66Å; Y66-F94 HydrophobicContact CE1-CE1 4.39Å; Y66-F94 HydrophobicContact CG-CD1 4.01Å; Y66-F94 AromaticContact CG-CE1 3.79Å; Y66-F94 HydrophobicContact CG-CE1 3.79Å
67N87Confident91.2Very high102 Ų10249 Ų4955%0.54524%0.238SC..EExtended strand (participates in β ladder)trans-97.1134-178.3-69.6-28.4000111.7
68I83.7Confident91.1Very high22 Ų2251.4 Ų51.411%0.11325%0.252CS..SBendtrans-124106.7172-54.9170.9000109.1Y66 D70 T71 A73 E85Y66-I68 HydrophobicContact CD2-CD1 4.45Å; Y66-I68 HydrophobicContact CD2-CG1 3.83Å; Y66-I68 HydrophobicContact CE2-CD1 3.49Å; Y66-I68 VanDerWaalsContact CE2-CD1 3.49Å; Y66-I68 HydrophobicContact CE2-CG1 3.29Å; I68-D70 PolarHBondContact O-N 2.84Å; I68-T71 PolarHBondContact N-O 2.79Å; I68-T71 PolarHBondContact O-N 2.85Å; I68-A73 HydrophobicContact CD1-CB 3.42Å; I68-A73 VanDerWaalsContact CD1-CB 3.42Å; I68-A73 HydrophobicContact CG1-CB 3.94Å; I68-E85 HydrophobicContact CD1-CB 4.32Å; I68-E85 HydrophobicContact CG2-CB 4.31Å
69K78.3Confident91.1Very high164 Ų16458.1 Ų58.171%0.71328%0.278SS*.SBendtrans48.155.6175-56-177.9179.7-1760112T71K69-T71 VanDerWaalsContact C-N 3.27Å; K69-T71 PolarHBondContact O-N 2.82Å
70D72.4Confident91.1Very high166 Ų16660.4 Ų60.489%0.88828%0.284SS*.SBendtrans6228.6-179.3-43-46.4000114.5I68I68-D70 PolarHBondContact O-N 2.84Å
71T78.1Confident91.1Very high42 Ų4257.7 Ų57.726%0.25827%0.274SS..SBendtrans-135.3135.6171-51.90000109.6I68 K69I68-T71 PolarHBondContact N-O 2.79Å; I68-T71 PolarHBondContact O-N 2.85Å; K69-T71 VanDerWaalsContact C-N 3.27Å; K69-T71 PolarHBondContact O-N 2.82Å
72E85.7Confident90.9Very high112 Ų11260.6 Ų60.652%0.52329%0.289SS..EExtended strand (participates in β ladder)trans-71.2141.6177-56.6-177.6145.200111.6Q65Q65-E72 HydrophobicContact CG-CB 4.39Å; Q65-E72 PolarHBondContact NE2-OE1 2.82Å; Q65-E72 PolarHBondContact NE2-OE2 2.87Å
73A89.9Confident90.7Very high18 Ų1865.2 Ų65.215%0.14931%0.314CS..EExtended strand (participates in β ladder)trans-14015217600000111Q65 Y66 I68Q65-A73 CarbonylContact C-O 3.48Å; Q65-A73 VanDerWaalsContact CA-O 3.32Å; Q65-A73 WeakPolarHBondContact CA-O 3.32Å; Y66-A73 HydrophobicContact CD1-CB 4.49Å; Y66-A73 WeakPolarHBondContact CD1-O 3.47Å; Y66-A73 HydrophobicContact CE1-CB 3.96Å; Y66-A73 HydrophobicContact CE2-CB 4.28Å; Y66-A73 PolarHBondContact N-O 3.41Å; Y66-A73 PolarHBondContact O-N 2.82Å; I68-A73 HydrophobicContact CD1-CB 3.42Å; I68-A73 VanDerWaalsContact CD1-CB 3.42Å; I68-A73 HydrophobicContact CG1-CB 3.94Å
74W93.8Very high90.5Very high29 Ų2965.5 Ų65.511%0.1132%0.315CS..EExtended strand (participates in β ladder)trans-104.1136.2175.8-64.989.2000110.6L64 Q65 K76 L97 K99L64-W74 CarbonylContact O-C 3.55Å; L64-W74 WeakPolarHBondContact O-CA 3.28Å; Q65-W74 HydrophobicContact CB-CD2 4.29Å; Q65-W74 HydrophobicContact CB-CE3 3.99Å; Q65-W74 HydrophobicContact CB-CH2 4.23Å; Q65-W74 HydrophobicContact CB-CZ2 4.48Å; Q65-W74 HydrophobicContact CB-CZ3 3.96Å; Q65-W74 HydrophobicContact CG-CD2 4.43Å; Q65-W74 HydrophobicContact CG-CZ2 4.46Å; W74-K76 PolarHBondContact O-N 3.21Å; W74-L97 HydrophobicContact CH2-CB 3.82Å; W74-L97 HydrophobicContact CZ3-CB 4.18Å; W74-K99 HydrophobicContact CD2-CD 3.66Å; W74-K99 HydrophobicContact CD2-CG 4.09Å; W74-K99 HydrophobicContact CE3-CB 4.29Å; W74-K99 HydrophobicContact CE3-CD 3.85Å; W74-K99 HydrophobicContact CE3-CG 4.27Å; W74-K99 HydrophobicContact CG-CD 4.01Å; W74-K99 HydrophobicContact CH2-CB 3.63Å; W74-K99 HydrophobicContact CH2-CD 4.46Å; W74-K99 HydrophobicContact CH2-CG 3.99Å; W74-K99 HydrophobicContact CZ2-CB 3.98Å; W74-K99 HydrophobicContact CZ2-CD 4.34Å; W74-K99 HydrophobicContact CZ2-CG 3.82Å; W74-K99 HydrophobicContact CZ3-CB 3.82Å; W74-K99 HydrophobicContact CZ3-CD 4.25Å; W74-K99 HydrophobicContact CZ3-CG 4.22Å
75L95Very high90.1Very high10 Ų1071.3 Ų71.35%0.05234%0.342CS..  trans-61.9129.1176.9-170.269.5000109.8L46 L64 Y66 V81 F94L46-L75 HydrophobicContact CD2-CD2 4.11Å; L64-L75 HydrophobicContact CB-CB 3.88Å; L64-L75 HydrophobicContact CB-CD2 4.1Å; L64-L75 HydrophobicContact CD1-CD2 3.67Å; L64-L75 WeakPolarHBondContact O-CB 3.44Å; L64-L75 PolarHBondContact O-N 3.32Å; Y66-L75 HydrophobicContact CE1-CB 4.41Å; L75-V81 HydrophobicContact CD1-CG1 4.34Å; L75-V81 HydrophobicContact CD2-CG2 4.46Å; L75-F94 HydrophobicContact CD1-CE1 3.93Å; L75-F94 HydrophobicContact CD1-CZ 4.29Å; L75-F94 HydrophobicContact CD2-CE1 4.48Å
76K93.9Very high89.8Confident73 Ų7371.2 Ų71.232%0.31734%0.342SS..  trans-87.3125177.9-58.8172.1-178.7171.10109.2W74 E78 R79 Q84W74-K76 PolarHBondContact O-N 3.21Å; K76-E78 VanDerWaalsContact C-N 3.3Å; K76-E78 PolarHBondContact O-N 3.17Å; K76-R79 HydrophobicContact CB-CB 4.44Å; K76-R79 HydrophobicContact CB-CG 4.46Å; K76-R79 PolarHBondContact O-N 3.37Å; K76-Q84 PolarHBondContact O-NE2 3.26Å
77M94.4Very high89.4Confident57 Ų5773.2 Ų73.228%0.28136%0.358SS..THydrogen-bonded Turntrans-60.3-37-175.5-57.9-49.2-176.700113.1G43 K44 F47 R79G43-M77 PolarHBondContact N-O 3.47Å; K44-M77 HydrophobicContact CB-CB 4.1Å; K44-M77 WeakPolarHBondContact CB-O 3.46Å; K44-M77 PolarHBondContact N-O 2.98Å; F47-M77 HydrophobicContact CB-CE 4.07Å; F47-M77 HydrophobicContact CB-SD 3.9Å; F47-M77 HydrophobicContact CD1-CE 3.65Å; F47-M77 HydrophobicContact CD1-SD 4.22Å; F47-M77 HydrophobicContact CD2-CE 3.72Å; F47-M77 HydrophobicContact CE1-CE 3.87Å; F47-M77 HydrophobicContact CE2-CE 3.97Å; F47-M77 HydrophobicContact CG-CE 3.54Å; F47-M77 HydrophobicContact CG-SD 4.03Å; F47-M77 HydrophobicContact CZ-CE 4.03Å; M77-R79 PolarHBondContact O-N 3.13Å
78E94.6Very high89.3Confident131 Ų13178.1 Ų78.161%0.61238%0.375SS*.THydrogen-bonded Turntrans-84.2-9-173.9-63.3-54.2149.600115.6K42 K76K42-E78 IonicContact NZ-OE2 3.79Å; K76-E78 VanDerWaalsContact C-N 3.3Å; K76-E78 PolarHBondContact O-N 3.17Å
79R95.6Very high89.3Confident142 Ų14284.4 Ų84.454%0.53640%0.404SS..SBendtrans-106.1152.8-177-67-170.5-179.7-160.1-5111.1K42 G43 K76 M77 Q84K42-R79 CarbonylContact C-O 3.52Å; K42-R79 VanDerWaalsContact CA-O 3.27Å; K42-R79 WeakPolarHBondContact CA-O 3.27Å; G43-R79 PolarHBondContact N-O 2.99Å; K76-R79 HydrophobicContact CB-CB 4.44Å; K76-R79 HydrophobicContact CB-CG 4.46Å; K76-R79 PolarHBondContact O-N 3.37Å; M77-R79 PolarHBondContact O-N 3.13Å; R79-Q84 HydrophobicContact CB-CG 3.98Å; R79-Q84 PolarHBondContact O-NE2 3.03Å
80K96.2Very high89.7Confident94 Ų9482.1 Ų82.141%0.40940%0.395SS..BIsolated β-bridgetrans-58.6144.9171.3-65.7-174.6-175.3169.10110.4W41 D83 Q84W41-K80 WeakPolarHBondContact O-CA 3.38Å; K80-D83 HydrophobicContact CB-CB 4.08Å; K80-D83 WeakPolarHBondContact CB-OD2 2.91Å; K80-D83 WeakPolarHBondContact CD-OD2 3.2Å; K80-D83 PolarHBondContact O-N 2.83Å; K80-Q84 WeakPolarHBondContact O-CG 3.33Å; K80-Q84 PolarHBondContact O-NE2 2.95Å; K80-Q84 VanDerWaalsContact O-NE2 3.16Å
81V94.7Very high90.6Very high1 Ų176.5 Ų76.51%0.00637%0.368CS..SBendtrans-60.5-49-178.9178.90000110.7F22 W41 L46 L75 D83 Q84 F94F22-V81 HydrophobicContact CE2-CB 4.33Å; F22-V81 HydrophobicContact CE2-CG1 3.96Å; F22-V81 HydrophobicContact CZ-CB 3.87Å; F22-V81 HydrophobicContact CZ-CG1 4.02Å; F22-V81 HydrophobicContact CZ-CG2 4.31Å; W41-V81 PolarHBondContact O-N 3.13Å; W41-V81 VanDerWaalsContact O-N 3.09Å; L46-V81 HydrophobicContact CB-CG2 4.3Å; L46-V81 HydrophobicContact CD2-CG1 4.44Å; L46-V81 HydrophobicContact CD2-CG2 4.13Å; L75-V81 HydrophobicContact CD1-CG1 4.34Å; L75-V81 HydrophobicContact CD2-CG2 4.46Å; V81-D83 PolarHBondContact O-N 2.99Å; V81-Q84 PolarHBondContact O-N 2.67Å; V81-F94 HydrophobicContact CG1-CE2 4.08Å; V81-F94 HydrophobicContact CG1-CZ 3.68Å
82L93.6Very high91.4Very high61 Ų6174.7 Ų74.732%0.31936%0.357SS..THydrogen-bonded Turntrans-69.8-15.2-177-59.1178.6000114.2F22 M39 Q84 V86 I92F22-L82 HydrophobicContact CD1-CD1 3.92Å; F22-L82 HydrophobicContact CD1-CD2 4.36Å; F22-L82 HydrophobicContact CD1-CG 4.26Å; F22-L82 HydrophobicContact CD2-CD2 3.94Å; F22-L82 HydrophobicContact CE1-CD1 4.17Å; F22-L82 HydrophobicContact CE1-CD2 4.47Å; F22-L82 HydrophobicContact CE1-CG 4.15Å; F22-L82 HydrophobicContact CE2-CD2 4.04Å; F22-L82 HydrophobicContact CE2-CG 4.49Å; F22-L82 HydrophobicContact CG-CD1 4.31Å; F22-L82 HydrophobicContact CG-CD2 4.1Å; F22-L82 HydrophobicContact CG-CG 4.49Å; F22-L82 HydrophobicContact CZ-CD2 4.32Å; F22-L82 HydrophobicContact CZ-CG 4.28Å; M39-L82 HydrophobicContact CE-CD1 4.14Å; M39-L82 HydrophobicContact CG-CD1 4.49Å; L82-Q84 VanDerWaalsContact C-N 3.28Å; L82-Q84 PolarHBondContact O-N 3.43Å; L82-V86 HydrophobicContact CD2-CG2 4.41Å; L82-I92 HydrophobicContact CD2-CD1 3.53Å
83D94.1Very high91.8Very high108 Ų10872.2 Ų72.258%0.57835%0.349SS*.THydrogen-bonded Turntrans-87.14.2179.5-66.9-7.9000112.6K80 V81K80-D83 HydrophobicContact CB-CB 4.08Å; K80-D83 WeakPolarHBondContact CB-OD2 2.91Å; K80-D83 WeakPolarHBondContact CD-OD2 3.2Å; K80-D83 PolarHBondContact O-N 2.83Å; V81-D83 PolarHBondContact O-N 2.99Å
84Q92.3Very high92.2Very high10 Ų1071.3 Ų71.35%0.04734%0.342CS..SBendtrans-109.633-170.5-66.1-173.370.400114.2Y66 K76 R79 K80 V81 L82 V86Y66-Q84 WeakPolarHBondContact CE2-O 3.37Å; Y66-Q84 PolarHBondContact OH-O 2.95Å; K76-Q84 PolarHBondContact O-NE2 3.26Å; R79-Q84 HydrophobicContact CB-CG 3.98Å; R79-Q84 PolarHBondContact O-NE2 3.03Å; K80-Q84 WeakPolarHBondContact O-CG 3.33Å; K80-Q84 PolarHBondContact O-NE2 2.95Å; K80-Q84 VanDerWaalsContact O-NE2 3.16Å; V81-Q84 PolarHBondContact O-N 2.67Å; L82-Q84 VanDerWaalsContact C-N 3.28Å; L82-Q84 PolarHBondContact O-N 3.43Å; Q84-V86 HydrophobicContact CB-CG1 4.38Å; Q84-V86 PolarHBondContact O-N 3.11Å
85E89.5Confident92.3Very high123 Ų12373.2 Ų73.258%0.57535%0.352SS*.  trans55.427.5177.8-59.6177.3-122.600113.4I68 R291I68-E85 HydrophobicContact CD1-CB 4.32Å; I68-E85 HydrophobicContact CG2-CB 4.31Å; E85-R291 IonicContact OE2-NH2 3.13Å; E85-R291 PolarHBondContact OE2-NH2 2.84Å
86V89.8Confident92.5Very high16 Ų1672.9 Ų72.910%0.09735%0.35CS..  trans-69160.2175.8-63.20000110.8Y66 L82 Q84 K88 I92 F94Y66-V86 HydrophobicContact CD2-CB 4.45Å; Y66-V86 HydrophobicContact CD2-CG1 3.83Å; Y66-V86 HydrophobicContact CE2-CB 4.46Å; Y66-V86 HydrophobicContact CE2-CG1 3.65Å; Y66-V86 HydrophobicContact CG-CG1 4.37Å; L82-V86 HydrophobicContact CD2-CG2 4.41Å; Q84-V86 HydrophobicContact CB-CG1 4.38Å; Q84-V86 PolarHBondContact O-N 3.11Å; V86-K88 PolarHBondContact O-N 3.03Å; V86-I92 HydrophobicContact CB-CG2 4.05Å; V86-I92 HydrophobicContact CG2-CD1 3.99Å; V86-I92 HydrophobicContact CG2-CG2 4.4Å; V86-F94 HydrophobicContact CB-CZ 4.47Å; V86-F94 HydrophobicContact CG1-CE1 3.92Å; V86-F94 HydrophobicContact CG1-CZ 3.77Å
87S85.6Confident92.7Very high56 Ų5670.6 Ų70.639%0.39234%0.341SS..  trans-54.9141.6174.6-173.20000110.7E89S87-E89 VanDerWaalsContact C-N 3.31Å; S87-E89 PolarHBondContact OG-N 3.42Å
88K83.1Confident92.8Very high206 Ų20668.1 Ų68.190%0.89633%0.329SS*.SBendtrans-86.8-7.5173.8-63.7-176.2-179.3178.80112.2V86V86-K88 PolarHBondContact O-N 3.03Å
89E85.6Confident92.9Very high154 Ų15463.2 Ų63.272%0.7231%0.306SS*.SBendtrans-77.2131.3175.1-64.5177.7177.100109.4S87 P91 I92S87-E89 VanDerWaalsContact C-N 3.31Å; S87-E89 PolarHBondContact OG-N 3.42Å; E89-P91 CarbonylContact O-C 3.55Å; E89-I92 PolarHBondContact O-N 2.89Å
90E85.8Confident93Very high115 Ų11557.4 Ų57.454%0.53729%0.285SS..SBendtrans-101.3137.4176.5-72.7-162.3-160.500110.9F22 K23F22-E90 WeakPolarHBondContact CB-OE1 3.32Å; K23-E90 PolarHBondContact N-OE2 3.49Å
91P91.4Very high93Very high48 Ų4853.4 Ų53.431%0.31227%0.267SS..SBendcis-74.2143.10.231.3-34.8000112.7K23 K25 E89 T93K23-P91 HydrophobicContact CB-CB 4Å; K23-P91 WeakPolarHBondContact O-CA 3.43Å; K25-P91 HydrophobicContact CB-CB 4.06Å; K25-P91 HydrophobicContact CB-CG 4.11Å; E89-P91 CarbonylContact O-C 3.55Å; P91-T93 PolarHBondContact O-N 3.33Å
92I94.5Very high93.1Very high5 Ų553.7 Ų53.73%0.02627%0.269CS..EExtended strand (participates in β ladder)trans-71.3121.3174.7-54178.7000108.3F22 K23 V24 K25 L82 V86 E89 F94F22-I92 HydrophobicContact CD2-CD1 3.84Å; F22-I92 HydrophobicContact CE2-CD1 4.16Å; K23-I92 PolarHBondContact O-N 2.88Å; V24-I92 CarbonylContact C-O 3.59Å; V24-I92 VanDerWaalsContact CA-O 3.31Å; V24-I92 WeakPolarHBondContact CA-O 2.69Å; V24-I92 WeakPolarHBondContact CG1-O 3.49Å; K25-I92 PolarHBondContact N-O 2.87Å; L82-I92 HydrophobicContact CD2-CD1 3.53Å; V86-I92 HydrophobicContact CB-CG2 4.05Å; V86-I92 HydrophobicContact CG2-CD1 3.99Å; V86-I92 HydrophobicContact CG2-CG2 4.4Å; E89-I92 PolarHBondContact O-N 2.89Å; I92-F94 HydrophobicContact CB-CE2 4.18Å; I92-F94 HydrophobicContact CG2-CD2 4.29Å; I92-F94 HydrophobicContact CG2-CE2 3.5Å; I92-F94 HydrophobicContact CG2-CZ 3.72Å
93T95Very high93.1Very high59 Ų5953.5 Ų53.536%0.36227%0.267SS..EExtended strand (participates in β ladder)trans-90.9129.1-177.4-52.90000112.2K25 C27 P91K25-T93 CarbonylContact O-C 3.41Å; K25-T93 WeakPolarHBondContact O-CA 3.14Å; C27-T93 VanDerWaalsContact SG-CG2 3.59Å; P91-T93 PolarHBondContact O-N 3.33Å
94F97.1Very high93.1Very high0 Ų050.3 Ų50.30%025%0.249CC..EExtended strand (participates in β ladder)trans-125150.4166.2-59.2-90.5000110.5V24 K25 I26 C27 L46 L64 Q65 Y66 L75 V81 V86 I92V24-F94 HydrophobicContact CG1-CD2 3.47Å; V24-F94 VanDerWaalsContact CG1-CD2 3.47Å; V24-F94 HydrophobicContact CG1-CE2 3.73Å; V24-F94 HydrophobicContact CG2-CE2 4.48Å; K25-F94 PolarHBondContact O-N 3.48Å; I26-F94 CarbonylContact C-O 3.6Å; I26-F94 WeakPolarHBondContact CA-O 3.25Å; I26-F94 HydrophobicContact CD1-CB 3.88Å; I26-F94 HydrophobicContact CD1-CD2 4.07Å; I26-F94 HydrophobicContact CD1-CG 4.38Å; C27-F94 PolarHBondContact N-O 2.9Å; L46-F94 HydrophobicContact CD2-CD2 4.27Å; L46-F94 HydrophobicContact CD2-CE2 4.1Å; L64-F94 HydrophobicContact CB-CB 4.18Å; L64-F94 HydrophobicContact CB-CD1 4.24Å; L64-F94 HydrophobicContact CB-CG 4.41Å; L64-F94 HydrophobicContact CD2-CB 4.04Å; Q65-F94 CarbonylContact O-C 3.51Å; Q65-F94 VanDerWaalsContact O-CA 3.28Å; Q65-F94 WeakPolarHBondContact O-CA 3.36Å; Y66-F94 AromaticContact CD1-CD1 3.85Å; Y66-F94 HydrophobicContact CD1-CD1 3.85Å; Y66-F94 AromaticContact CD1-CE1 3.66Å; Y66-F94 HydrophobicContact CD1-CE1 3.66Å; Y66-F94 HydrophobicContact CE1-CE1 4.39Å; Y66-F94 HydrophobicContact CG-CD1 4.01Å; Y66-F94 AromaticContact CG-CE1 3.79Å; Y66-F94 HydrophobicContact CG-CE1 3.79Å; L75-F94 HydrophobicContact CD1-CE1 3.93Å; L75-F94 HydrophobicContact CD1-CZ 4.29Å; L75-F94 HydrophobicContact CD2-CE1 4.48Å; V81-F94 HydrophobicContact CG1-CE2 4.08Å; V81-F94 HydrophobicContact CG1-CZ 3.68Å; V86-F94 HydrophobicContact CB-CZ 4.47Å; V86-F94 HydrophobicContact CG1-CE1 3.92Å; V86-F94 HydrophobicContact CG1-CZ 3.77Å; I92-F94 HydrophobicContact CB-CE2 4.18Å; I92-F94 HydrophobicContact CG2-CD2 4.29Å; I92-F94 HydrophobicContact CG2-CE2 3.5Å; I92-F94 HydrophobicContact CG2-CZ 3.72Å
95H97.4Very high93.2Very high69 Ų6949.8 Ų49.832%0.31925%0.247SC..EExtended strand (participates in β ladder)trans-102.8123.6172.4-57.685.7000109.3C27 L64 Q65 L97C27-H95 CarbonylContact O-C 3.49Å; C27-H95 WeakPolarHBondContact O-CA 3.47Å; L64-H95 CarbonylContact C-O 3.57Å; L64-H95 WeakPolarHBondContact CA-O 3.33Å; Q65-H95 HydrophobicContact CB-CB 4.42Å; Q65-H95 PolarHBondContact N-O 3.13Å; Q65-H95 PolarHBondContact O-N 3.18Å; H95-L97 HydrophobicContact CB-CD1 3.91Å; H95-L97 HydrophobicContact CB-CD2 4.34Å; H95-L97 HydrophobicContact CB-CG 3.86Å; H95-L97 PolarHBondContact O-N 3.13Å
96F98.1Very high93.4Very high3 Ų348 Ų481%0.01324%0.239CC..EExtended strand (participates in β ladder)trans-86.9105.9174.2-175.7-91.2000109I26 C27 T28 F47 V50 L54 L56 F62 L64 L117I26-F96 HydrophobicContact CG2-CB 3.87Å; C27-F96 PolarHBondContact O-N 3.23Å; T28-F96 HydrophobicContact CG2-CB 4.18Å; F47-F96 HydrophobicContact CD2-CE2 4.06Å; F47-F96 HydrophobicContact CE2-CD2 4.25Å; F47-F96 AromaticContact CE2-CE2 3.56Å; F47-F96 HydrophobicContact CE2-CE2 3.56Å; F47-F96 HydrophobicContact CE2-CZ 4.41Å; F47-F96 HydrophobicContact CZ-CE2 4.34Å; V50-F96 HydrophobicContact CG1-CD2 3.58Å; V50-F96 HydrophobicContact CG1-CE2 3.87Å; V50-F96 HydrophobicContact CG1-CG 4.12Å; L54-F96 HydrophobicContact CD1-CD1 4Å; L54-F96 HydrophobicContact CD1-CE1 3.83Å; L54-F96 HydrophobicContact CD1-CG 4.49Å; L54-F96 HydrophobicContact CD1-CZ 4.17Å; L56-F96 HydrophobicContact CD1-CE1 4.19Å; L56-F96 HydrophobicContact CD1-CZ 4.28Å; F62-F96 HydrophobicContact CB-CE1 3.87Å; F62-F96 HydrophobicContact CB-CE2 3.89Å; F62-F96 HydrophobicContact CB-CZ 3.43Å; F62-F96 VanDerWaalsContact CB-CZ 3.43Å; F62-F96 AromaticContact CD1-CD1 3.96Å; F62-F96 HydrophobicContact CD1-CD1 3.96Å; F62-F96 AromaticContact CD1-CE1 3.32Å; F62-F96 HydrophobicContact CD1-CE1 3.32Å; F62-F96 AromaticContact CD1-CZ 3.82Å; F62-F96 HydrophobicContact CD1-CZ 3.82Å; F62-F96 HydrophobicContact CD2-CE1 4.38Å; F62-F96 HydrophobicContact CD2-CZ 4.26Å; F62-F96 AromaticContact CE1-CE1 3.94Å; F62-F96 HydrophobicContact CE1-CE1 3.94Å; F62-F96 AromaticContact CG-CE1 3.59Å; F62-F96 HydrophobicContact CG-CE1 3.59Å; F62-F96 HydrophobicContact CG-CE2 4.48Å; F62-F96 AromaticContact CG-CZ 3.57Å; F62-F96 HydrophobicContact CG-CZ 3.57Å; L64-F96 HydrophobicContact CD2-CB 4Å; L64-F96 HydrophobicContact CD2-CD2 3.89Å; L64-F96 HydrophobicContact CD2-CG 4.46Å; F96-L117 HydrophobicContact CD1-CD1 4.3Å; F96-L117 HydrophobicContact CE1-CD1 3.88Å
97L97.6Very high93.4Very high25 Ų2553.8 Ų53.813%0.13126%0.264CS..EExtended strand (participates in β ladder)trans-131.7150.5-168.7-61.3179.2000111.2M29 F62 G63 Q65 W74 H95 K99M29-L97 HydrophobicContact CE-CD2 3.23Å; F62-L97 CarbonylContact C-O 3.58Å; F62-L97 WeakPolarHBondContact CA-O 3.45Å; G63-L97 PolarHBondContact N-O 2.96Å; G63-L97 PolarHBondContact O-N 2.97Å; Q65-L97 HydrophobicContact CB-CD1 4.18Å; W74-L97 HydrophobicContact CH2-CB 3.82Å; W74-L97 HydrophobicContact CZ3-CB 4.18Å; H95-L97 HydrophobicContact CB-CD1 3.91Å; H95-L97 HydrophobicContact CB-CD2 4.34Å; H95-L97 HydrophobicContact CB-CG 3.86Å; H95-L97 PolarHBondContact O-N 3.13Å; L97-K99 PolarHBondContact O-N 3.41Å
98A97.4Very high93.9Very high4 Ų452.7 Ų52.73%0.03325%0.253CS..EExtended strand (participates in β ladder)trans-65.9116.3165.900000108.7F61 F62 F118 Q121F61-A98 CarbonylContact O-C 3.55Å; F62-A98 HydrophobicContact CD1-CB 4.29Å; F62-A98 HydrophobicContact CE1-CB 4.07Å; A98-F118 HydrophobicContact CB-CD1 4.02Å; A98-F118 HydrophobicContact CB-CE1 3.58Å; A98-F118 HydrophobicContact CB-CE2 4.13Å; A98-F118 HydrophobicContact CB-CG 4.47Å; A98-F118 HydrophobicContact CB-CZ 3.66Å; A98-Q121 PolarHBondContact O-NE2 3.08Å
99K96.1Very high94.5Very high28 Ų2843 Ų4312%0.12221%0.211CC..  trans-94.7-35.6179.5-177.4176.3179.9175.40111.9F61 W74 L97 L299F61-K99 PolarHBondContact O-N 2.97Å; W74-K99 HydrophobicContact CD2-CD 3.66Å; W74-K99 HydrophobicContact CD2-CG 4.09Å; W74-K99 HydrophobicContact CE3-CB 4.29Å; W74-K99 HydrophobicContact CE3-CD 3.85Å; W74-K99 HydrophobicContact CE3-CG 4.27Å; W74-K99 HydrophobicContact CG-CD 4.01Å; W74-K99 HydrophobicContact CH2-CB 3.63Å; W74-K99 HydrophobicContact CH2-CD 4.46Å; W74-K99 HydrophobicContact CH2-CG 3.99Å; W74-K99 HydrophobicContact CZ2-CB 3.98Å; W74-K99 HydrophobicContact CZ2-CD 4.34Å; W74-K99 HydrophobicContact CZ2-CG 3.82Å; W74-K99 HydrophobicContact CZ3-CB 3.82Å; W74-K99 HydrophobicContact CZ3-CD 4.25Å; W74-K99 HydrophobicContact CZ3-CG 4.22Å; L97-K99 PolarHBondContact O-N 3.41Å; K99-L299 HydrophobicContact CG-CD2 4.09Å
100F97.7Very high94.9Very high21 Ų2136.1 Ų36.19%0.09218%0.18CC..SBendtrans-121.3136.9-180-55.9-72.6000108.9W60 F61 F118 L299 L306W60-F100 WeakPolarHBondContact O-CD2 3.43Å; F61-F100 VanDerWaalsContact CD1-O 3.3Å; F61-F100 WeakPolarHBondContact CD1-O 3.38Å; F61-F100 PolarHBondContact O-N 2.94Å; F100-F118 WeakPolarHBondContact O-CZ 3.43Å; F100-L299 HydrophobicContact CE1-CD2 4.19Å; F100-L306 HydrophobicContact CB-CD1 3.43Å; F100-L306 VanDerWaalsContact CB-CD1 3.43Å; F100-L306 HydrophobicContact CD1-CD1 4.48Å; F100-L306 HydrophobicContact CD2-CD1 4.23Å; F100-L306 HydrophobicContact CG-CD1 3.81Å
101Y97.7Very high95.4Very high10 Ų1032.3 Ų32.34%0.03916%0.162CC..  trans-100.3149.9-177.4-75.1-106.4000110.6F118 Q121 V122 Y217 A238 R310Y101-F118 HydrophobicContact CD1-CD1 4.19Å; Y101-F118 AromaticContact CD1-CE1 3.8Å; Y101-F118 HydrophobicContact CD1-CE1 3.8Å; Y101-F118 HydrophobicContact CE1-CD1 4.23Å; Y101-F118 HydrophobicContact CE1-CE1 4.13Å; Y101-F118 HydrophobicContact CG-CE1 4.13Å; Y101-Q121 PolarHBondContact OH-NE2 3.39Å; Y101-V122 HydrophobicContact CE1-CG2 3.86Å; Y101-Y217 AromaticContact CD1-CE1 3.85Å; Y101-Y217 HydrophobicContact CD1-CE1 3.85Å; Y101-Y217 AromaticContact CD1-CE2 3.98Å; Y101-Y217 HydrophobicContact CD1-CE2 3.98Å; Y101-Y217 AromaticContact CD1-CZ 3.54Å; Y101-Y217 HydrophobicContact CE1-CE2 4.04Å; Y101-A238 WeakPolarHBondContact O-CB 3.44Å; Y101-R310 PolarHBondContact O-NH2 3.27Å
102P96.3Very high95.5Very high6 Ų632.2 Ų32.24%0.03916%0.159CC..  trans-66.4152.2171.629.5-34.7000111.4F61 A105 E108 L109F61-P102 HydrophobicContact CE1-CB 4.25Å; F61-P102 HydrophobicContact CZ-CB 4.3Å; P102-A105 HydrophobicContact CG-CB 4.32Å; P102-E108 WeakPolarHBondContact CA-OE1 3.32Å; P102-E108 HydrophobicContact CB-CB 3.75Å; P102-E108 HydrophobicContact CB-CG 4.25Å; P102-L109 HydrophobicContact CG-CD2 4.24Å; P102-L109 HydrophobicContact CG-CG 4.34Å
103E92.9Very high95.6Very high58 Ų5833.9 Ų33.927%0.27117%0.168SC..SBendtrans-68.1-37.8164.4-78.8174.6-136.400110.5E108 A238 L239 R310 R311E103-E108 WeakPolarHBondContact CA-OE1 3.49Å; E103-E108 WeakPolarHBondContact CB-OE1 3.35Å; E103-E108 PolarHBondContact N-OE1 2.75Å; E103-A238 HydrophobicContact CG-CB 4.09Å; E103-L239 HydrophobicContact CG-CD2 3.99Å; E103-R310 VanDerWaalsContact CD-CD 3.47Å; E103-R310 WeakPolarHBondContact OE1-CD 3.35Å; E103-R310 IonicContact OE1-CZ 3.78Å; E103-R310 IonicContact OE1-NE 2.75Å; E103-R310 IonicContact OE1-NH1 3.57Å; E103-R310 PolarHBondContact OE1-NH1 3.24Å; E103-R311 IonicContact OE1-NH1 3.36Å; E103-R311 PolarHBondContact OE1-NH1 3.07Å; E103-R311 VanDerWaalsContact OE1-NH1 3.13Å; E103-R311 IonicContact OE1-NH2 2.85Å; E103-R311 IonicContact OE2-CZ 2.62Å; E103-R311 IonicContact OE2-NH1 4Å; E103-R311 PolarHBondContact OE2-NH1 2.95Å; E103-R311 IonicContact OE2-NH2 3.8Å; E103-R311 PolarHBondContact OE2-NH2 3.16Å
104N94.2Very high95.7Very high40 Ų4031.1 Ų31.121%0.21415%0.15CC..SBendtrans-137.3118.8171.1-178.2-26.9000110.1E106 E107 E108N104-E106 PolarHBondContact O-N 3.13Å; N104-E106 PolarHBondContact OD1-N 3.32Å; N104-E107 HydrophobicContact CB-CB 4.12Å; N104-E107 HydrophobicContact CB-CG 4.27Å; N104-E107 PolarHBondContact ND2-OE1 3.17Å; N104-E107 PolarHBondContact OD1-N 2.98Å; N104-E108 PolarHBondContact N-OE1 2.76Å; N104-E108 WeakPolarHBondContact O-CB 3.26Å; N104-E108 PolarHBondContact O-N 2.86Å; N104-E108 VanDerWaalsContact O-N 3.09Å
105A95.4Very high95.7Very high0 Ų031.3 Ų31.30%015%0.151CC..Hα-helixtrans-61.3-42.3-17800000113.4P102 L109 M205 L208 Q212P102-A105 HydrophobicContact CG-CB 4.32Å; A105-L109 HydrophobicContact CB-CD1 4.05Å; A105-L109 WeakPolarHBondContact O-CB 3.4Å; A105-L109 VanDerWaalsContact O-CG 3.24Å; A105-L109 WeakPolarHBondContact O-CG 3.21Å; A105-L109 PolarHBondContact O-N 2.93Å; A105-M205 HydrophobicContact CB-SD 4.31Å; A105-L208 HydrophobicContact CB-CB 4.13Å; A105-Q212 VanDerWaalsContact N-OE1 3.07Å
106E92.8Very high95.7Very high85 Ų8530.2 Ų30.240%0.39714%0.144SC..Hα-helixtrans-70.6-34.5-176.1-173.1168.4-13800112.3N104 M205 K209N104-E106 PolarHBondContact O-N 3.13Å; N104-E106 PolarHBondContact OD1-N 3.32Å; E106-M205 HydrophobicContact CB-SD 4.17Å; E106-K209 HydrophobicContact CB-CD 4.24Å; E106-K209 HydrophobicContact CB-CG 4.37Å; E106-K209 HydrophobicContact CG-CD 4.44Å; E106-K209 IonicContact OE1-NZ 3.5Å; E106-K209 PolarHBondContact OE1-NZ 3.09Å; E106-K209 VanDerWaalsContact OE2-CE 3.27Å; E106-K209 WeakPolarHBondContact OE2-CE 3.5Å; E106-K209 IonicContact OE2-NZ 2.92Å; E106-K209 PolarHBondContact OE2-NZ 3.38Å
107E90.8Very high95.7Very high137 Ų13730.2 Ų30.264%0.6415%0.145SC*.Hα-helixtrans-83.7-30.9-178.8-68.3178.6-15000113.6N104N104-E107 HydrophobicContact CB-CB 4.12Å; N104-E107 HydrophobicContact CB-CG 4.27Å; N104-E107 PolarHBondContact ND2-OE1 3.17Å; N104-E107 PolarHBondContact OD1-N 2.98Å
108E94.3Very high95.8Very high33 Ų3329 Ų2915%0.15414%0.138CC..Hα-helixtrans-100.9-30.3-172.4-71.5-174.8-110.500114.5E58 F61 P102 E103 N104 V110 R310E58-E108 VanDerWaalsContact OE1-O 3.12Å; F61-E108 HydrophobicContact CZ-CB 4.23Å; P102-E108 WeakPolarHBondContact CA-OE1 3.32Å; P102-E108 HydrophobicContact CB-CB 3.75Å; P102-E108 HydrophobicContact CB-CG 4.25Å; E103-E108 WeakPolarHBondContact CA-OE1 3.49Å; E103-E108 WeakPolarHBondContact CB-OE1 3.35Å; E103-E108 PolarHBondContact N-OE1 2.75Å; N104-E108 PolarHBondContact N-OE1 2.76Å; N104-E108 WeakPolarHBondContact O-CB 3.26Å; N104-E108 PolarHBondContact O-N 2.86Å; N104-E108 VanDerWaalsContact O-N 3.09Å; E108-V110 PolarHBondContact O-N 3.25Å; E108-R310 IonicContact OE1-CZ 3.44Å; E108-R310 IonicContact OE1-NE 3.35Å; E108-R310 PolarHBondContact OE1-NE 3.45Å; E108-R310 IonicContact OE1-NH2 3.55Å; E108-R310 IonicContact OE2-CZ 3.83Å; E108-R310 IonicContact OE2-NE 2.68Å; E108-R310 PolarHBondContact OE2-NE 3.44Å; E108-R310 IonicContact OE2-NH2 3.2Å; E108-R310 PolarHBondContact OE2-NH2 2.75Å
109L96.4Very high95.8Very high3 Ų329 Ų292%0.01614%0.137CC..  trans-84.6110.6-179.1-56.2179.6000110.1F61 P102 A105 T114 F118 M205 L208F61-L109 HydrophobicContact CD2-CD2 4.32Å; F61-L109 HydrophobicContact CE2-CD2 3.93Å; F61-L109 HydrophobicContact CZ-CD2 4.39Å; P102-L109 HydrophobicContact CG-CD2 4.24Å; P102-L109 HydrophobicContact CG-CG 4.34Å; A105-L109 HydrophobicContact CB-CD1 4.05Å; A105-L109 WeakPolarHBondContact O-CB 3.4Å; A105-L109 VanDerWaalsContact O-CG 3.24Å; A105-L109 WeakPolarHBondContact O-CG 3.21Å; A105-L109 PolarHBondContact O-N 2.93Å; L109-T114 HydrophobicContact CD2-CG2 3.77Å; L109-F118 HydrophobicContact CD1-CB 4.29Å; L109-F118 HydrophobicContact CD1-CD2 4.27Å; L109-F118 HydrophobicContact CD1-CG 4.31Å; L109-F118 HydrophobicContact CD2-CD2 3.72Å; L109-F118 HydrophobicContact CD2-CE2 3.71Å; L109-F118 HydrophobicContact CD2-CG 4.45Å; L109-F118 HydrophobicContact CD2-CZ 4.44Å; L109-M205 HydrophobicContact CB-CE 4.17Å; L109-L208 HydrophobicContact CD1-CD1 3.78Å
110V95Very high95.9Very high10 Ų1028.6 Ų28.66%0.06114%0.137CC..  trans-99.6-43.8-171.2-174.70000112.4E58 E108 M321 K322 A325E58-V110 PolarHBondContact OE1-N 2.67Å; E58-V110 PolarHBondContact OE2-N 2.91Å; E108-V110 PolarHBondContact O-N 3.25Å; V110-M321 HydrophobicContact CB-CE 3.87Å; V110-M321 HydrophobicContact CB-CG 4.46Å; V110-M321 HydrophobicContact CG1-CE 4.17Å; V110-M321 HydrophobicContact CG1-CG 3.84Å; V110-M321 HydrophobicContact CG2-CE 3.89Å; V110-K322 HydrophobicContact CG1-CG 4.09Å; V110-K322 HydrophobicContact CG2-CD 4.45Å; V110-K322 HydrophobicContact CG2-CG 3.62Å; V110-A325 HydrophobicContact CG1-CB 3.56Å
111Q94.8Very high95.9Very high35 Ų3528.2 Ų28.216%0.16414%0.135CC..SBendtrans-93.5140.5-177.1-56.3-179.2-94.500111.8G55 R57 E58 I113 T114 Q115 M321G55-Q111 PolarHBondContact O-NE2 3.46Å; R57-Q111 VanDerWaalsContact CB-OE1 3.29Å; E58-Q111 HydrophobicContact CG-CG 4.49Å; E58-Q111 VanDerWaalsContact OE2-CB 3.27Å; E58-Q111 WeakPolarHBondContact OE2-CB 3.46Å; E58-Q111 WeakPolarHBondContact OE2-CG 3.47Å; E58-Q111 PolarHBondContact OE2-N 3.47Å; Q111-I113 VanDerWaalsContact C-N 3.25Å; Q111-I113 HydrophobicContact CB-CG2 4.04Å; Q111-I113 PolarHBondContact O-N 2.85Å; Q111-T114 WeakPolarHBondContact O-CB 3.42Å; Q111-T114 PolarHBondContact O-N 2.62Å; Q111-Q115 PolarHBondContact O-N 3.33Å; Q111-M321 HydrophobicContact CG-SD 4.16Å
112D94.7Very high96Very high45 Ų4527.8 Ų27.824%0.24113%0.133CC..Hα-helixtrans-57-38.2178.2-55.9-13.4000111.5T114 Q115 R116 K332D112-T114 PolarHBondContact O-N 3.23Å; D112-Q115 PolarHBondContact O-N 3.45Å; D112-R116 VanDerWaalsContact O-CB 3.27Å; D112-R116 WeakPolarHBondContact O-CB 3.35Å; D112-R116 PolarHBondContact O-N 2.85Å; D112-K332 IonicContact OD2-NZ 2.99Å; D112-K332 PolarHBondContact OD2-NZ 3.36Å
113I95.8Very high96.1Very high41 Ų4130 Ų3021%0.2114%0.142CC..Hα-helixtrans-64.3-39.8175.3-174.459.2000113.1L56 Q111 R116 L117L56-I113 HydrophobicContact CB-CG2 4.36Å; Q111-I113 VanDerWaalsContact C-N 3.25Å; Q111-I113 HydrophobicContact CB-CG2 4.04Å; Q111-I113 PolarHBondContact O-N 2.85Å; I113-R116 PolarHBondContact O-N 3.04Å; I113-L117 HydrophobicContact CD1-CD1 4.41Å; I113-L117 HydrophobicContact CD1-CG 4.26Å; I113-L117 HydrophobicContact CG1-CD1 4.31Å; I113-L117 VanDerWaalsContact O-CG 3.3Å; I113-L117 WeakPolarHBondContact O-CG 3.29Å; I113-L117 PolarHBondContact O-N 3.35Å; I113-L117 VanDerWaalsContact O-N 3.07Å
114T97.2Very high96.3Very high0 Ų031.7 Ų31.70%015%0.149CC..Hα-helixtrans-64.1-48.8177.8-55.20000109E58 F61 F62 L109 Q111 D112 R116 L117 F118E58-T114 HydrophobicContact CB-CG2 3.96Å; E58-T114 WeakPolarHBondContact OE2-CB 3.35Å; E58-T114 WeakPolarHBondContact OE2-CG2 3.08Å; E58-T114 PolarHBondContact OE2-OG1 3.24Å; F61-T114 HydrophobicContact CD2-CG2 4.16Å; F62-T114 HydrophobicContact CE2-CG2 3.88Å; F62-T114 HydrophobicContact CZ-CG2 4.16Å; L109-T114 HydrophobicContact CD2-CG2 3.77Å; Q111-T114 WeakPolarHBondContact O-CB 3.42Å; Q111-T114 PolarHBondContact O-N 2.62Å; D112-T114 PolarHBondContact O-N 3.23Å; T114-R116 PolarHBondContact O-N 2.94Å; T114-L117 PolarHBondContact O-N 3.4Å; T114-F118 HydrophobicContact CG2-CD2 4.11Å; T114-F118 HydrophobicContact CG2-CE2 4.15Å; T114-F118 WeakPolarHBondContact O-CD2 3.35Å; T114-F118 PolarHBondContact O-N 3.17Å
115Q97.6Very high96.5Very high4 Ų431.6 Ų31.62%0.01915%0.147CC..Hα-helixtrans-57.5-48.4177.2-172.4-168.4-66.900111.8Q111 D112 L117 F118 F119 D201 M205 L208Q111-Q115 PolarHBondContact O-N 3.33Å; D112-Q115 PolarHBondContact O-N 3.45Å; Q115-L117 PolarHBondContact O-N 2.91Å; Q115-F118 PolarHBondContact O-N 3.49Å; Q115-F119 WeakPolarHBondContact O-CB 3.23Å; Q115-F119 PolarHBondContact O-N 3.18Å; Q115-D201 PolarHBondContact NE2-O 2.9Å; Q115-M205 HydrophobicContact CG-CE 3.93Å; Q115-L208 HydrophobicContact CG-CD1 4.02Å
116R97.5Very high96.6Very high47 Ų4731.8 Ų31.818%0.17715%0.148CC..Hα-helixtrans-57-46.8178.6179.664.5178.5172.25.2112.6E30 D112 I113 T114 F119 L120 E204E30-R116 WeakPolarHBondContact OE1-CG 3.37Å; E30-R116 IonicContact OE1-CZ 3.88Å; E30-R116 IonicContact OE1-NE 3.72Å; E30-R116 PolarHBondContact OE1-NE 3.09Å; E30-R116 IonicContact OE1-NH2 3.13Å; E30-R116 PolarHBondContact OE1-NH2 3.26Å; E30-R116 VanDerWaalsContact OE1-NH2 3.09Å; D112-R116 VanDerWaalsContact O-CB 3.27Å; D112-R116 WeakPolarHBondContact O-CB 3.35Å; D112-R116 PolarHBondContact O-N 2.85Å; I113-R116 PolarHBondContact O-N 3.04Å; T114-R116 PolarHBondContact O-N 2.94Å; R116-F119 PolarHBondContact O-N 2.95Å; R116-L120 HydrophobicContact CG-CD1 4.22Å; R116-L120 WeakPolarHBondContact O-CG 3.47Å; R116-L120 PolarHBondContact O-N 3.08Å; R116-E204 VanDerWaalsContact CA-OE2 3.31Å; R116-E204 WeakPolarHBondContact CA-OE2 3.27Å; R116-E204 VanDerWaalsContact CD-CD 3.42Å; R116-E204 WeakPolarHBondContact CD-OE1 3.37Å; R116-E204 WeakPolarHBondContact CD-OE2 3.31Å; R116-E204 IonicContact CZ-OE1 2.69Å; R116-E204 IonicContact NE-OE1 3.77Å; R116-E204 IonicContact NH1-OE1 3.64Å; R116-E204 PolarHBondContact NH1-OE1 3.28Å
117L97.9Very high96.9Very high3 Ų329.4 Ų29.42%0.01614%0.137CC..Hα-helixtrans-66.1-38179.2-68.7176.5000112.2M29 L56 F62 F96 I113 T114 Q115 Q121M29-L117 HydrophobicContact CB-CD2 4.37Å; L56-L117 HydrophobicContact CD1-CD1 3.79Å; F62-L117 HydrophobicContact CE1-CB 3.87Å; F62-L117 HydrophobicContact CE1-CD1 3.96Å; F62-L117 HydrophobicContact CZ-CB 4.05Å; F62-L117 HydrophobicContact CZ-CD1 4.16Å; F96-L117 HydrophobicContact CD1-CD1 4.3Å; F96-L117 HydrophobicContact CE1-CD1 3.88Å; I113-L117 HydrophobicContact CD1-CD1 4.41Å; I113-L117 HydrophobicContact CD1-CG 4.26Å; I113-L117 HydrophobicContact CG1-CD1 4.31Å; I113-L117 VanDerWaalsContact O-CG 3.3Å; I113-L117 WeakPolarHBondContact O-CG 3.29Å; I113-L117 PolarHBondContact O-N 3.35Å; I113-L117 VanDerWaalsContact O-N 3.07Å; T114-L117 PolarHBondContact O-N 3.4Å; Q115-L117 PolarHBondContact O-N 2.91Å; L117-Q121 WeakPolarHBondContact O-CB 3.39Å; L117-Q121 PolarHBondContact O-N 2.91Å; L117-Q121 VanDerWaalsContact O-N 3.09Å
118F98.5Very high97.2Very high0 Ų027.9 Ų27.90%013%0.13CC..Hα-helixtrans-64-48.5172.5-94.1-82000111.8F61 F62 A98 F100 Y101 L109 T114 Q115 L120 Q121 V122 L208F61-F118 HydrophobicContact CB-CE2 3.73Å; F61-F118 HydrophobicContact CB-CZ 3.75Å; F61-F118 HydrophobicContact CD1-CE2 4.42Å; F61-F118 HydrophobicContact CD1-CZ 4.03Å; F61-F118 HydrophobicContact CD2-CE2 4Å; F61-F118 HydrophobicContact CD2-CZ 4.42Å; F61-F118 AromaticContact CG-CE2 3.81Å; F61-F118 HydrophobicContact CG-CE2 3.81Å; F61-F118 AromaticContact CG-CZ 3.83Å; F61-F118 HydrophobicContact CG-CZ 3.83Å; F62-F118 HydrophobicContact CE2-CE2 4.25Å; F62-F118 HydrophobicContact CZ-CD2 4.05Å; F62-F118 AromaticContact CZ-CE2 3.96Å; F62-F118 HydrophobicContact CZ-CE2 3.96Å; A98-F118 HydrophobicContact CB-CD1 4.02Å; A98-F118 HydrophobicContact CB-CE1 3.58Å; A98-F118 HydrophobicContact CB-CE2 4.13Å; A98-F118 HydrophobicContact CB-CG 4.47Å; A98-F118 HydrophobicContact CB-CZ 3.66Å; F100-F118 WeakPolarHBondContact O-CZ 3.43Å; Y101-F118 HydrophobicContact CD1-CD1 4.19Å; Y101-F118 AromaticContact CD1-CE1 3.8Å; Y101-F118 HydrophobicContact CD1-CE1 3.8Å; Y101-F118 HydrophobicContact CE1-CD1 4.23Å; Y101-F118 HydrophobicContact CE1-CE1 4.13Å; Y101-F118 HydrophobicContact CG-CE1 4.13Å; L109-F118 HydrophobicContact CD1-CB 4.29Å; L109-F118 HydrophobicContact CD1-CD2 4.27Å; L109-F118 HydrophobicContact CD1-CG 4.31Å; L109-F118 HydrophobicContact CD2-CD2 3.72Å; L109-F118 HydrophobicContact CD2-CE2 3.71Å; L109-F118 HydrophobicContact CD2-CG 4.45Å; L109-F118 HydrophobicContact CD2-CZ 4.44Å; T114-F118 HydrophobicContact CG2-CD2 4.11Å; T114-F118 HydrophobicContact CG2-CE2 4.15Å; T114-F118 WeakPolarHBondContact O-CD2 3.35Å; T114-F118 PolarHBondContact O-N 3.17Å; Q115-F118 PolarHBondContact O-N 3.49Å; F118-L120 VanDerWaalsContact C-N 3.34Å; F118-L120 PolarHBondContact O-N 3.4Å; F118-Q121 PolarHBondContact O-N 2.98Å; F118-V122 WeakPolarHBondContact O-CB 3.41Å; F118-V122 VanDerWaalsContact O-CG2 3.24Å; F118-V122 WeakPolarHBondContact O-CG2 3.5Å; F118-V122 PolarHBondContact O-N 3.48Å; F118-L208 HydrophobicContact CB-CD1 3.92Å; F118-L208 HydrophobicContact CB-CD2 4.23Å
119F98.6Very high97.3Very high3 Ų330.4 Ų30.41%0.01314%0.142CC..Hα-helixtrans-53.3-51.8178.2159.2-107000111Q115 R116 Q121 V122 K123 A145 A148 E204 Y207 L208Q115-F119 WeakPolarHBondContact O-CB 3.23Å; Q115-F119 PolarHBondContact O-N 3.18Å; R116-F119 PolarHBondContact O-N 2.95Å; F119-Q121 PolarHBondContact O-N 2.95Å; F119-V122 PolarHBondContact O-N 3.44Å; F119-K123 HydrophobicContact CE2-CD 4.45Å; F119-K123 HydrophobicContact CZ-CD 4.1Å; F119-K123 VanDerWaalsContact O-CB 3.25Å; F119-K123 WeakPolarHBondContact O-CB 3.34Å; F119-K123 PolarHBondContact O-N 3.48Å; F119-A145 HydrophobicContact CE2-CB 4.35Å; F119-A145 HydrophobicContact CZ-CB 4.12Å; F119-A148 HydrophobicContact CE1-CB 4.43Å; F119-A148 HydrophobicContact CZ-CB 4.19Å; F119-E204 HydrophobicContact CB-CB 4.11Å; F119-E204 HydrophobicContact CB-CG 4.29Å; F119-E204 HydrophobicContact CD1-CB 4.39Å; F119-E204 HydrophobicContact CD1-CG 3.67Å; F119-E204 HydrophobicContact CD2-CB 4.32Å; F119-E204 HydrophobicContact CD2-CG 4.21Å; F119-E204 HydrophobicContact CE1-CG 4.02Å; F119-E204 HydrophobicContact CG-CB 4.01Å; F119-E204 HydrophobicContact CG-CG 3.78Å; F119-E204 HydrophobicContact CZ-CG 4.42Å; F119-Y207 AromaticContact CD2-CD1 3.71Å; F119-Y207 HydrophobicContact CD2-CD1 3.71Å; F119-Y207 HydrophobicContact CD2-CD2 4.13Å; F119-Y207 HydrophobicContact CD2-CE1 4.35Å; F119-Y207 AromaticContact CD2-CG 3.62Å; F119-Y207 HydrophobicContact CD2-CG 3.62Å; F119-Y207 HydrophobicContact CE2-CD1 4.02Å; F119-Y207 AromaticContact CE2-CD2 3.59Å; F119-Y207 HydrophobicContact CE2-CD2 3.59Å; F119-Y207 HydrophobicContact CE2-CE1 4.47Å; F119-Y207 HydrophobicContact CE2-CE2 4.05Å; F119-Y207 AromaticContact CE2-CG 3.59Å; F119-Y207 HydrophobicContact CE2-CG 3.59Å; F119-L208 HydrophobicContact CB-CD1 4.34Å; F119-L208 HydrophobicContact CB-CG 4.36Å
120L98Very high97.2Very high20 Ų2035.3 Ų35.311%0.10517%0.165CC..Hα-helixtrans-65.6-41.7-178.3-67171.1000112.7M29 E30 R116 F118 K124M29-L120 HydrophobicContact CB-CB 3.64Å; M29-L120 HydrophobicContact CB-CD1 3.96Å; M29-L120 HydrophobicContact CB-CG 4.5Å; M29-L120 HydrophobicContact CG-CB 4.17Å; E30-L120 HydrophobicContact CB-CD1 4.47Å; E30-L120 HydrophobicContact CG-CD1 3.11Å; R116-L120 HydrophobicContact CG-CD1 4.22Å; R116-L120 WeakPolarHBondContact O-CG 3.47Å; R116-L120 PolarHBondContact O-N 3.08Å; F118-L120 VanDerWaalsContact C-N 3.34Å; F118-L120 PolarHBondContact O-N 3.4Å; L120-K124 WeakPolarHBondContact O-CB 3.47Å; L120-K124 PolarHBondContact O-N 3.31Å
121Q98.3Very high97.4Very high13 Ų1335 Ų356%0.06116%0.162CC..Hα-helixtrans-64.2-46.2177.6-179.2169.4-4900111.3M29 A98 Y101 L117 F118 F119 K124 K125M29-Q121 HydrophobicContact CE-CB 3.74Å; M29-Q121 HydrophobicContact CE-CG 3.67Å; M29-Q121 HydrophobicContact CG-CB 4.07Å; M29-Q121 HydrophobicContact SD-CB 4.2Å; A98-Q121 PolarHBondContact O-NE2 3.08Å; Y101-Q121 PolarHBondContact OH-NE2 3.39Å; L117-Q121 WeakPolarHBondContact O-CB 3.39Å; L117-Q121 PolarHBondContact O-N 2.91Å; L117-Q121 VanDerWaalsContact O-N 3.09Å; F118-Q121 PolarHBondContact O-N 2.98Å; F119-Q121 PolarHBondContact O-N 2.95Å; Q121-K124 PolarHBondContact O-N 3.35Å; Q121-K125 HydrophobicContact CG-CD 4.44Å; Q121-K125 VanDerWaalsContact O-CG 3.32Å; Q121-K125 WeakPolarHBondContact O-CG 3.43Å; Q121-K125 PolarHBondContact O-N 3.48Å
122V98.5Very high97.5Very high0 Ų033.9 Ų33.90%016%0.157CC..Hα-helixtrans-65.3-43.7179.4175.20000110.6Y101 F118 F119 K124 K125 I126 Y207 L208 A211 Y217Y101-V122 HydrophobicContact CE1-CG2 3.86Å; F118-V122 WeakPolarHBondContact O-CB 3.41Å; F118-V122 VanDerWaalsContact O-CG2 3.24Å; F118-V122 WeakPolarHBondContact O-CG2 3.5Å; F118-V122 PolarHBondContact O-N 3.48Å; F119-V122 PolarHBondContact O-N 3.44Å; V122-K124 VanDerWaalsContact C-N 3.33Å; V122-K124 PolarHBondContact O-N 3.35Å; V122-K125 PolarHBondContact O-N 3.47Å; V122-I126 HydrophobicContact CG1-CD1 3.93Å; V122-I126 WeakPolarHBondContact O-CG1 3.14Å; V122-I126 PolarHBondContact O-N 2.85Å; V122-Y207 HydrophobicContact CG1-CE1 4.17Å; V122-L208 HydrophobicContact CB-CD2 4.08Å; V122-L208 HydrophobicContact CG1-CD2 4.47Å; V122-L208 HydrophobicContact CG2-CD2 3.87Å; V122-A211 HydrophobicContact CG1-CB 3.66Å; V122-Y217 HydrophobicContact CG1-CD2 4.13Å; V122-Y217 HydrophobicContact CG1-CE2 4.03Å; V122-Y217 HydrophobicContact CG2-CD2 4.35Å; V122-Y217 HydrophobicContact CG2-CE2 3.67Å
123K98.4Very high97.6Very high52 Ų5231.7 Ų31.723%0.22615%0.146CC..Hα-helixtrans-55.4-49.8174.6-172.1-174.378.2154.90111.2F119 K125 I126 L127 A145 Y207F119-K123 HydrophobicContact CE2-CD 4.45Å; F119-K123 HydrophobicContact CZ-CD 4.1Å; F119-K123 VanDerWaalsContact O-CB 3.25Å; F119-K123 WeakPolarHBondContact O-CB 3.34Å; F119-K123 PolarHBondContact O-N 3.48Å; K123-K125 PolarHBondContact O-N 2.92Å; K123-I126 PolarHBondContact O-N 3.45Å; K123-L127 HydrophobicContact CD-CD1 4.48Å; K123-L127 HydrophobicContact CG-CD1 4.03Å; K123-L127 HydrophobicContact CG-CG 4.49Å; K123-L127 WeakPolarHBondContact O-CG 3.4Å; K123-L127 PolarHBondContact O-N 2.95Å; K123-A145 HydrophobicContact CD-CB 3.95Å; K123-Y207 WeakPolarHBondContact CA-OH 3.5Å; K123-Y207 HydrophobicContact CB-CE1 4.25Å; K123-Y207 HydrophobicContact CG-CE2 4.37Å
124K97.8Very high97.7Very high95 Ų9530.1 Ų30.141%0.41314%0.138SC..Hα-helixtrans-57-48.5177.5-177.8177.1176.6-179.80111.5M29 L120 Q121 V122 I126 L127 E128M29-K124 HydrophobicContact CE-CD 4.19Å; M29-K124 HydrophobicContact SD-CD 4.02Å; L120-K124 WeakPolarHBondContact O-CB 3.47Å; L120-K124 PolarHBondContact O-N 3.31Å; Q121-K124 PolarHBondContact O-N 3.35Å; V122-K124 VanDerWaalsContact C-N 3.33Å; V122-K124 PolarHBondContact O-N 3.35Å; K124-I126 VanDerWaalsContact C-N 3.29Å; K124-I126 PolarHBondContact O-N 2.94Å; K124-L127 PolarHBondContact O-N 3.01Å; K124-E128 WeakPolarHBondContact CE-OE1 3.39Å; K124-E128 VanDerWaalsContact CE-OE2 3.25Å; K124-E128 WeakPolarHBondContact CE-OE2 3.36Å; K124-E128 HydrophobicContact CG-CG 4.27Å; K124-E128 WeakPolarHBondContact CG-OE2 3.48Å; K124-E128 IonicContact NZ-OE1 3.62Å; K124-E128 WeakPolarHBondContact O-CB 3.39Å; K124-E128 WeakPolarHBondContact O-CG 3.3Å; K124-E128 PolarHBondContact O-N 3.46Å
125K98.1Very high97.6Very high38 Ų3830.5 Ų30.517%0.16514%0.141CC..Hα-helixtrans-64.2-29.5179.4-67.8-172.387.5-173.80113.9Q121 V122 K123 E129 E130 I131Q121-K125 HydrophobicContact CG-CD 4.44Å; Q121-K125 VanDerWaalsContact O-CG 3.32Å; Q121-K125 WeakPolarHBondContact O-CG 3.43Å; Q121-K125 PolarHBondContact O-N 3.48Å; V122-K125 PolarHBondContact O-N 3.47Å; K123-K125 PolarHBondContact O-N 2.92Å; K125-E129 PolarHBondContact O-N 2.84Å; K125-E130 HydrophobicContact CB-CB 4.24Å; K125-E130 WeakPolarHBondContact CE-OE2 3.47Å; K125-E130 IonicContact NZ-OE2 3.26Å; K125-E130 PolarHBondContact O-N 3.07Å; K125-I131 HydrophobicContact CB-CD1 3.74Å; K125-I131 HydrophobicContact CB-CG1 4Å; K125-I131 HydrophobicContact CD-CD1 4.3Å; K125-I131 PolarHBondContact O-N 3.05Å
126I98.6Very high97.5Very high4 Ų431.1 Ų31.12%0.02114%0.144CC..Hα-helixtrans-72.7-46.7174-71.3170.8000110.4V122 K123 K124 E128 E129 I131 C133 L141 P170 Y207 A211 L214V122-I126 HydrophobicContact CG1-CD1 3.93Å; V122-I126 WeakPolarHBondContact O-CG1 3.14Å; V122-I126 PolarHBondContact O-N 2.85Å; K123-I126 PolarHBondContact O-N 3.45Å; K124-I126 VanDerWaalsContact C-N 3.29Å; K124-I126 PolarHBondContact O-N 2.94Å; I126-E128 PolarHBondContact O-N 2.91Å; I126-E129 PolarHBondContact O-N 2.97Å; I126-E129 VanDerWaalsContact O-N 3.09Å; I126-I131 HydrophobicContact CG1-CB 3.94Å; I126-I131 HydrophobicContact CG1-CD1 4.47Å; I126-I131 HydrophobicContact CG1-CG2 4.02Å; I126-C133 HydrophobicContact CG2-CB 3.78Å; I126-L141 HydrophobicContact CD1-CD1 3.82Å; I126-P170 HydrophobicContact CG2-CG 4.19Å; I126-Y207 HydrophobicContact CD1-CE1 4.24Å; I126-A211 HydrophobicContact CD1-CB 4.16Å; I126-L214 HydrophobicContact CD1-CD1 3.84Å; I126-L214 HydrophobicContact CG1-CD1 4.33Å
127L98Very high97.5Very high35 Ų3529.1 Ų29.118%0.18314%0.137CC..Hα-helixtrans-64.6-38.4179.4-67.2174000112.5K123 K124 E129 E167 L168K123-L127 HydrophobicContact CD-CD1 4.48Å; K123-L127 HydrophobicContact CG-CD1 4.03Å; K123-L127 HydrophobicContact CG-CG 4.49Å; K123-L127 WeakPolarHBondContact O-CG 3.4Å; K123-L127 PolarHBondContact O-N 2.95Å; K124-L127 PolarHBondContact O-N 3.01Å; L127-E129 PolarHBondContact O-N 2.83Å; L127-E167 VanDerWaalsContact CD1-O 3.31Å; L127-E167 WeakPolarHBondContact CD1-O 3.32Å; L127-L168 VanDerWaalsContact CD2-C 3.49Å; L127-L168 WeakPolarHBondContact CD2-O 3.3Å
128E97.2Very high97.5Very high104 Ų10429.1 Ų29.149%0.48614%0.137SC..THydrogen-bonded Turntrans-77.93.3175-68178.1157.200113.3K124 I126 E130K124-E128 WeakPolarHBondContact CE-OE1 3.39Å; K124-E128 VanDerWaalsContact CE-OE2 3.25Å; K124-E128 WeakPolarHBondContact CE-OE2 3.36Å; K124-E128 HydrophobicContact CG-CG 4.27Å; K124-E128 WeakPolarHBondContact CG-OE2 3.48Å; K124-E128 IonicContact NZ-OE1 3.62Å; K124-E128 WeakPolarHBondContact O-CB 3.39Å; K124-E128 WeakPolarHBondContact O-CG 3.3Å; K124-E128 PolarHBondContact O-N 3.46Å; I126-E128 PolarHBondContact O-N 2.91Å; E128-E130 HydrophobicContact CB-CG 4.49Å; E128-E130 PolarHBondContact O-N 3.48Å
129E95.6Very high97.5Very high87 Ų8729.1 Ų29.141%0.40714%0.137SC..THydrogen-bonded Turntrans61.918.5178.3-58.8179-178.800114.9K125 I126 L127 I131 P170 N171 R172K125-E129 PolarHBondContact O-N 2.84Å; I126-E129 PolarHBondContact O-N 2.97Å; I126-E129 VanDerWaalsContact O-N 3.09Å; L127-E129 PolarHBondContact O-N 2.83Å; E129-I131 VanDerWaalsContact C-N 3.29Å; E129-P170 HydrophobicContact CG-CB 3.88Å; E129-N171 PolarHBondContact OE1-N 3.35Å; E129-R172 VanDerWaalsContact OE1-CB 3.24Å; E129-R172 WeakPolarHBondContact OE1-CB 3.32Å; E129-R172 PolarHBondContact OE1-N 3.09Å
130E96.3Very high97.4Very high106 Ų10629 Ų2950%0.49514%0.137SC..SBendtrans-70.4-29.6169.6-64.2-165.4177.900112.1K125 E128 M216K125-E130 HydrophobicContact CB-CB 4.24Å; K125-E130 WeakPolarHBondContact CE-OE2 3.47Å; K125-E130 IonicContact NZ-OE2 3.26Å; K125-E130 PolarHBondContact O-N 3.07Å; E128-E130 HydrophobicContact CB-CG 4.49Å; E128-E130 PolarHBondContact O-N 3.48Å; E130-M216 WeakPolarHBondContact O-CE 3.46Å
131I97.9Very high97.4Very high2 Ų228.1 Ų28.11%0.0113%0.132CC..SBendtrans-112.1116.9172.1-62.4173.3000107.8K125 I126 E129 C133 L214 M216K125-I131 HydrophobicContact CB-CD1 3.74Å; K125-I131 HydrophobicContact CB-CG1 4Å; K125-I131 HydrophobicContact CD-CD1 4.3Å; K125-I131 PolarHBondContact O-N 3.05Å; I126-I131 HydrophobicContact CG1-CB 3.94Å; I126-I131 HydrophobicContact CG1-CD1 4.47Å; I126-I131 HydrophobicContact CG1-CG2 4.02Å; E129-I131 VanDerWaalsContact C-N 3.29Å; I131-C133 PolarHBondContact O-N 2.74Å; I131-L214 HydrophobicContact CG2-CB 4.16Å; I131-L214 HydrophobicContact CG2-CD1 3.77Å; I131-M216 HydrophobicContact CG2-CB 4.3Å
132H97.1Very high97.5Very high12 Ų1227.7 Ų27.76%0.05613%0.131CC..  trans-65.2125.9172.5-179.481.5000110.5M216 L250 L555 D556H132-M216 HydrophobicContact CB-CG 4.34Å; H132-M216 HydrophobicContact CB-SD 3.49Å; H132-M216 WeakPolarHBondContact CB-SD 3.43Å; H132-L250 HydrophobicContact CB-CD2 3.9Å; H132-L555 HydrophobicContact CB-CD1 4.35Å; H132-D556 IonicContact CE1-OD1 3.9Å; H132-D556 PolarHBondContact CE1-OD1 3.06Å; H132-D556 VanDerWaalsContact CE1-OD1 3.26Å
133C97.6Very high97.4Very high0 Ų027.7 Ų27.70%013%0.131CC..  trans-130.1124.2179.6-174.70000109.7I126 I131 S138 R172 L214I126-C133 HydrophobicContact CG2-CB 3.78Å; I131-C133 PolarHBondContact O-N 2.74Å; C133-S138 PolarHBondContact O-OG 2.87Å; C133-S138 PolarHBondContact SG-OG 3.09Å; C133-R172 PolarHBondContact O-NH2 3.48Å; C133-L214 HydrophobicContact CB-CD1 4Å
134P96.4Very high97.4Very high8 Ų825.6 Ų25.65%0.05212%0.122CC..  trans-64.8156.5-179.826.7-32.5000111.4E136 A137 S138 H559P134-E136 PolarHBondContact O-N 2.69Å; P134-A137 HydrophobicContact CG-CB 3.76Å; P134-A137 PolarHBondContact O-N 3.34Å; P134-S138 WeakPolarHBondContact O-CB 3.44Å; P134-S138 PolarHBondContact O-N 2.78Å; P134-S138 PolarHBondContact O-OG 2.8Å; P134-H559 WeakPolarHBondContact CB-NE2 3.4Å
135P96.4Very high97.5Very high8 Ų821.4 Ų21.45%0.05211%0.105CC..Hα-helixtrans-55.3-47.7-175.4-29.738.9000114.3A137 S138 V139 V173 L176 Y177 I543P135-A137 PolarHBondContact O-N 2.85Å; P135-S138 WeakPolarHBondContact O-CB 3.35Å; P135-S138 PolarHBondContact O-N 3.37Å; P135-S138 VanDerWaalsContact O-N 3.1Å; P135-V139 PolarHBondContact O-N 3.49Å; P135-V173 HydrophobicContact CB-CG1 4.02Å; P135-L176 HydrophobicContact CG-CD2 3.9Å; P135-Y177 HydrophobicContact CB-CE2 3.59Å; P135-Y177 WeakPolarHBondContact CB-OH 3.28Å; P135-Y177 HydrophobicContact CG-CE2 3.67Å; P135-Y177 WeakPolarHBondContact CG-OH 3.45Å; P135-I543 HydrophobicContact CB-CD1 3.56Å
136E95.4Very high97.4Very high17 Ų1719.7 Ų19.78%0.07910%0.098CC..Hα-helixtrans-59.3-44.1179.259.2-86.6-14800112.2P134 S138 L140 L536 L539 K540P134-E136 PolarHBondContact O-N 2.69Å; E136-S138 VanDerWaalsContact C-N 3.34Å; E136-L140 PolarHBondContact O-N 3.18Å; E136-L536 HydrophobicContact CB-CD2 4.44Å; E136-L536 HydrophobicContact CG-CB 4.45Å; E136-L536 HydrophobicContact CG-CD2 4.24Å; E136-L539 HydrophobicContact CB-CB 4.08Å; E136-K540 HydrophobicContact CB-CB 4.11Å; E136-K540 HydrophobicContact CG-CB 4.29Å; E136-K540 IonicContact OE1-NZ 3.74Å
137A96.9Very high97.4Very high5 Ų519.6 Ų19.64%0.04110%0.097CC..Hα-helixtrans-69.3-34.417600000111.5P134 P135 V139 L140 L141 L536P134-A137 HydrophobicContact CG-CB 3.76Å; P134-A137 PolarHBondContact O-N 3.34Å; P135-A137 PolarHBondContact O-N 2.85Å; A137-V139 PolarHBondContact O-N 3.06Å; A137-L140 PolarHBondContact O-N 3.41Å; A137-L141 VanDerWaalsContact O-CB 3.24Å; A137-L141 WeakPolarHBondContact O-CB 3.3Å; A137-L141 WeakPolarHBondContact O-CG 2.78Å; A137-L141 PolarHBondContact O-N 2.89Å; A137-L536 HydrophobicContact CB-CD2 4.15Å
138S97.9Very high97.4Very high3 Ų318 Ų182%0.0219%0.089CC..Hα-helixtrans-63.7-41.5178.7-55.30000111.7C133 P134 P135 E136 A142C133-S138 PolarHBondContact O-OG 2.87Å; C133-S138 PolarHBondContact SG-OG 3.09Å; P134-S138 WeakPolarHBondContact O-CB 3.44Å; P134-S138 PolarHBondContact O-N 2.78Å; P134-S138 PolarHBondContact O-OG 2.8Å; P135-S138 WeakPolarHBondContact O-CB 3.35Å; P135-S138 PolarHBondContact O-N 3.37Å; P135-S138 VanDerWaalsContact O-N 3.1Å; E136-S138 VanDerWaalsContact C-N 3.34Å; S138-A142 VanDerWaalsContact O-CB 3.3Å; S138-A142 WeakPolarHBondContact O-CB 3.25Å; S138-A142 PolarHBondContact O-N 3.28Å
139V97.7Very high97.3Very high0 Ų018.9 Ų18.90%09%0.092CC..Hα-helixtrans-64.1-46.6175176.90000111P135 A137 A142 S143 L169 W184 R187 I188 L539P135-V139 PolarHBondContact O-N 3.49Å; A137-V139 PolarHBondContact O-N 3.06Å; V139-A142 WeakPolarHBondContact O-CB 3.03Å; V139-A142 PolarHBondContact O-N 2.88Å; V139-S143 PolarHBondContact O-N 2.89Å; V139-L169 HydrophobicContact CG2-CD2 4.38Å; V139-W184 HydrophobicContact CG2-CE3 4.03Å; V139-W184 HydrophobicContact CG2-CZ3 3.55Å; V139-R187 HydrophobicContact CG1-CB 4.34Å; V139-I188 HydrophobicContact CG1-CG1 4.14Å; V139-L539 HydrophobicContact CB-CD1 4.45Å; V139-L539 HydrophobicContact CG1-CD1 4.38Å; V139-L539 HydrophobicContact CG1-CD2 3.92Å
140L97.8Very high97.3Very high0 Ų018.9 Ų18.90%09%0.088CC..Hα-helixtrans-63.6-45179-17659.1000111.7E136 A137 A142 S143 Y144 I210 L532 L536 L539E136-L140 PolarHBondContact O-N 3.18Å; A137-L140 PolarHBondContact O-N 3.41Å; L140-A142 VanDerWaalsContact C-N 3.33Å; L140-A142 PolarHBondContact O-N 3.49Å; L140-S143 PolarHBondContact O-N 3.42Å; L140-S143 VanDerWaalsContact O-N 3.17Å; L140-S143 PolarHBondContact O-OG 3.44Å; L140-Y144 HydrophobicContact CD1-CD2 4.33Å; L140-Y144 HydrophobicContact CD1-CE2 3.85Å; L140-Y144 HydrophobicContact CG-CD2 4.24Å; L140-Y144 HydrophobicContact CG-CE2 3.93Å; L140-Y144 WeakPolarHBondContact O-CD2 3.41Å; L140-Y144 PolarHBondContact O-N 3.4Å; L140-I210 HydrophobicContact CD2-CD1 3.79Å; L140-I210 HydrophobicContact CG-CD1 4.09Å; L140-L532 HydrophobicContact CD2-CD1 3.38Å; L140-L536 HydrophobicContact CB-CD2 4.35Å; L140-L536 HydrophobicContact CD2-CD2 3.81Å; L140-L536 HydrophobicContact CD2-CG 4.26Å; L140-L539 HydrophobicContact CB-CD1 4.03Å
141L98.5Very high97.2Very high2 Ų215.2 Ų15.21%0.018%0.079CC..Hα-helixtrans-61-41.2175-74.2177.4000111.8I126 A137 S143 Y144 A145 Y207 I210I126-L141 HydrophobicContact CD1-CD1 3.82Å; A137-L141 VanDerWaalsContact O-CB 3.24Å; A137-L141 WeakPolarHBondContact O-CB 3.3Å; A137-L141 WeakPolarHBondContact O-CG 2.78Å; A137-L141 PolarHBondContact O-N 2.89Å; L141-S143 VanDerWaalsContact C-N 3.31Å; L141-S143 PolarHBondContact O-N 2.91Å; L141-Y144 PolarHBondContact O-N 3.1Å; L141-A145 PolarHBondContact O-N 3.29Å; L141-Y207 HydrophobicContact CB-CD2 4.01Å; L141-Y207 HydrophobicContact CB-CE2 3.51Å; L141-Y207 HydrophobicContact CD2-CD1 3.94Å; L141-Y207 HydrophobicContact CD2-CD2 3.68Å; L141-Y207 HydrophobicContact CD2-CE1 4.03Å; L141-Y207 HydrophobicContact CD2-CE2 3.82Å; L141-Y207 HydrophobicContact CD2-CG 3.73Å; L141-Y207 WeakPolarHBondContact CD2-O 3.36Å; L141-Y207 HydrophobicContact CG-CD2 4.43Å; L141-Y207 HydrophobicContact CG-CE2 4.16Å; L141-Y207 VanDerWaalsContact O-CD2 3.23Å; L141-Y207 WeakPolarHBondContact O-CD2 3.47Å; L141-Y207 WeakPolarHBondContact O-CE2 3.39Å; L141-I210 HydrophobicContact CD2-CB 3.85Å; L141-I210 HydrophobicContact CD2-CD1 4.49Å; L141-I210 HydrophobicContact CD2-CG2 3.84Å; L141-I210 HydrophobicContact CG-CG2 4.17Å
142A98.4Very high97.1Very high4 Ų418.6 Ų18.63%0.03310%0.097CC..Hα-helixtrans-58.3-43.5173.800000111.6S138 V139 L140 Y144 A145 V146 L168 L169 I188S138-A142 VanDerWaalsContact O-CB 3.3Å; S138-A142 WeakPolarHBondContact O-CB 3.25Å; S138-A142 PolarHBondContact O-N 3.28Å; V139-A142 WeakPolarHBondContact O-CB 3.03Å; V139-A142 PolarHBondContact O-N 2.88Å; L140-A142 VanDerWaalsContact C-N 3.33Å; L140-A142 PolarHBondContact O-N 3.49Å; A142-Y144 PolarHBondContact O-N 3.48Å; A142-A145 WeakPolarHBondContact O-CB 3.3Å; A142-A145 PolarHBondContact O-N 3.47Å; A142-A145 VanDerWaalsContact O-N 3.13Å; A142-V146 WeakPolarHBondContact O-CG2 3.17Å; A142-V146 PolarHBondContact O-N 2.88Å; A142-L168 HydrophobicContact CB-CB 3.99Å; A142-L169 HydrophobicContact CB-CD2 4.07Å; A142-I188 HydrophobicContact CB-CD1 3.93Å; A142-I188 HydrophobicContact CB-CG1 4.05Å; A142-I188 HydrophobicContact CB-CG2 4.21Å
143S98Very high97Very high0 Ų020.8 Ų20.80%011%0.105CC..Hα-helixtrans-62.1-39.9178.2760000113.1V139 L140 L141 V146 H147 C191 H195V139-S143 PolarHBondContact O-N 2.89Å; L140-S143 PolarHBondContact O-N 3.42Å; L140-S143 VanDerWaalsContact O-N 3.17Å; L140-S143 PolarHBondContact O-OG 3.44Å; L141-S143 VanDerWaalsContact C-N 3.31Å; L141-S143 PolarHBondContact O-N 2.91Å; S143-V146 PolarHBondContact O-N 3.35Å; S143-H147 PolarHBondContact O-N 3.45Å; S143-C191 VanDerWaalsContact CB-CB 3.43Å; S143-C191 WeakPolarHBondContact OG-CB 3.35Å; S143-H195 PolarHBondContact OG-NE2 2.92Å
144Y98.4Very high96.8Very high7 Ų724.1 Ų24.13%0.02712%0.123CC..Hα-helixtrans-67.4-37.1172.8-77.6-65.5000112.3L140 L141 A142 H147 A148 H195 A203 E206 I210L140-Y144 HydrophobicContact CD1-CD2 4.33Å; L140-Y144 HydrophobicContact CD1-CE2 3.85Å; L140-Y144 HydrophobicContact CG-CD2 4.24Å; L140-Y144 HydrophobicContact CG-CE2 3.93Å; L140-Y144 WeakPolarHBondContact O-CD2 3.41Å; L140-Y144 PolarHBondContact O-N 3.4Å; L141-Y144 PolarHBondContact O-N 3.1Å; A142-Y144 PolarHBondContact O-N 3.48Å; Y144-H147 PolarHBondContact O-N 2.94Å; Y144-A148 WeakPolarHBondContact O-CB 3.48Å; Y144-A148 PolarHBondContact O-N 3.28Å; Y144-H195 AromaticContact CD1-CD2 3.98Å; Y144-H195 AromaticContact CD1-NE2 3.89Å; Y144-H195 AromaticContact CE1-CE1 3.49Å; Y144-H195 VanDerWaalsContact CE1-CE1 3.49Å; Y144-H195 WeakPolarHBondContact CE1-CE1 3.47Å; Y144-H195 AromaticContact CE1-CG 3.97Å; Y144-H195 AromaticContact CE1-ND1 3.55Å; Y144-H195 AromaticContact CE1-NE2 3.81Å; Y144-H195 AromaticContact CE2-CE1 3.87Å; Y144-H195 AromaticContact CZ-CE1 3.39Å; Y144-H195 AromaticContact CZ-ND1 3.83Å; Y144-H195 AromaticContact CZ-NE2 3.9Å; Y144-A203 HydrophobicContact CD1-CB 4.22Å; Y144-E206 HydrophobicContact CD1-CB 4.03Å; Y144-E206 HydrophobicContact CE1-CB 3.63Å; Y144-E206 HydrophobicContact CE1-CG 4.24Å; Y144-E206 HydrophobicContact CE2-CB 4.35Å; Y144-I210 HydrophobicContact CD2-CD1 3.91Å; Y144-I210 HydrophobicContact CE2-CD1 3.49Å; Y144-I210 VanDerWaalsContact CE2-CD1 3.49Å
145A98.2Very high96.7Very high8 Ų827.1 Ų27.17%0.06614%0.143CC..Hα-helixtrans-66.3-37.2176.400000112.4F119 K123 L141 A142 K149 Y207F119-A145 HydrophobicContact CE2-CB 4.35Å; F119-A145 HydrophobicContact CZ-CB 4.12Å; K123-A145 HydrophobicContact CD-CB 3.95Å; L141-A145 PolarHBondContact O-N 3.29Å; A142-A145 WeakPolarHBondContact O-CB 3.3Å; A142-A145 PolarHBondContact O-N 3.47Å; A142-A145 VanDerWaalsContact O-N 3.13Å; A145-K149 PolarHBondContact O-N 2.91Å; A145-Y207 HydrophobicContact CB-CD2 4.39Å; A145-Y207 HydrophobicContact CB-CE2 4.18Å
146V97.9Very high96.6Very high2 Ų233.5 Ų33.51%0.01217%0.172CC..Hα-helixtrans-63.9-48.7172.3170.50000110A142 S143 A148 K149 Y150 F162 L163 L168 I188 Y192A142-V146 WeakPolarHBondContact O-CG2 3.17Å; A142-V146 PolarHBondContact O-N 2.88Å; S143-V146 PolarHBondContact O-N 3.35Å; V146-A148 VanDerWaalsContact C-N 3.33Å; V146-A148 PolarHBondContact O-N 2.78Å; V146-K149 PolarHBondContact O-N 3.24Å; V146-Y150 HydrophobicContact CG1-CD2 3.89Å; V146-Y150 PolarHBondContact O-N 3.27Å; V146-F162 HydrophobicContact CG1-CE2 4.35Å; V146-L163 HydrophobicContact CG1-CD1 4.45Å; V146-L163 HydrophobicContact CG1-CD2 4.07Å; V146-L163 HydrophobicContact CG2-CD1 3.96Å; V146-L163 HydrophobicContact CG2-CD2 3.84Å; V146-L168 HydrophobicContact CG2-CD1 3.76Å; V146-L168 HydrophobicContact CG2-CD2 3.9Å; V146-I188 HydrophobicContact CG2-CG2 4.04Å; V146-Y192 HydrophobicContact CG1-CD1 3.54Å; V146-Y192 HydrophobicContact CG1-CD2 4.07Å; V146-Y192 HydrophobicContact CG1-CE1 3.62Å; V146-Y192 HydrophobicContact CG1-CE2 4.18Å; V146-Y192 HydrophobicContact CG1-CG 3.77Å
147H97.5Very high96.5Very high1 Ų137.6 Ų37.61%0.00520%0.198CC..Hα-helixtrans-59-42.1176.8-163.393.9000112.6S143 Y144 K149 G151 D152 Y192 H195 R198 A203S143-H147 PolarHBondContact O-N 3.45Å; Y144-H147 PolarHBondContact O-N 2.94Å; H147-K149 PolarHBondContact O-N 2.87Å; H147-G151 PolarHBondContact CE1-O 3.25Å; H147-G151 VanDerWaalsContact CE1-O 3.24Å; H147-G151 PolarHBondContact ND1-O 2.96Å; H147-G151 VanDerWaalsContact ND1-O 3.13Å; H147-G151 WeakPolarHBondContact O-CA 3.4Å; H147-G151 PolarHBondContact O-N 3.21Å; H147-D152 IonicContact CE1-OD1 2.76Å; H147-D152 PolarHBondContact CE1-OD1 3.41Å; H147-D152 IonicContact NE2-OD1 3.55Å; H147-Y192 HydrophobicContact CB-CD2 3.9Å; H147-Y192 HydrophobicContact CB-CE2 3.86Å; H147-Y192 AromaticContact CG-CE2 4Å; H147-Y192 AromaticContact ND1-CD2 3.76Å; H147-Y192 AromaticContact ND1-CE2 3.47Å; H147-Y192 WeakPolarHBondContact ND1-CE2 3.39Å; H147-H195 HydrophobicContact CB-CB 4.27Å; H147-H195 PolarHBondContact CE1-O 3.44Å; H147-H195 WeakPolarHBondContact ND1-CB 3.44Å; H147-R198 PolarHBondContact NE2-O 3.38Å; H147-A203 HydrophobicContact CB-CB 4.18Å
148A97.1Very high96.4Very high3 Ų338.3 Ų38.33%0.02520%0.2CC..Hα-helixtrans-64.9-22.8176.100000113.5F119 Y144 V146 K200 A203 E204F119-A148 HydrophobicContact CE1-CB 4.43Å; F119-A148 HydrophobicContact CZ-CB 4.19Å; Y144-A148 WeakPolarHBondContact O-CB 3.48Å; Y144-A148 PolarHBondContact O-N 3.28Å; V146-A148 VanDerWaalsContact C-N 3.33Å; V146-A148 PolarHBondContact O-N 2.78Å; A148-K200 HydrophobicContact CB-CG 4.4Å; A148-K200 WeakPolarHBondContact O-CD 3.48Å; A148-K200 WeakPolarHBondContact O-CE 3.5Å; A148-K200 WeakPolarHBondContact O-CG 3.49Å; A148-A203 HydrophobicContact CB-CB 4.29Å; A148-E204 HydrophobicContact CB-CG 3.75Å
149K95.8Very high96.2Very high122 Ų12242.8 Ų42.853%0.5322%0.219SC..Hα-helixtrans-92.2-45.2178.4-170.6175.8-173.6-177.20112.3A145 V146 H147 E166A145-K149 PolarHBondContact O-N 2.91Å; V146-K149 PolarHBondContact O-N 3.24Å; H147-K149 PolarHBondContact O-N 2.87Å; K149-E166 IonicContact NZ-OE1 2.89Å; K149-E166 PolarHBondContact NZ-OE1 3.07Å; K149-E166 IonicContact NZ-OE2 3.87Å; K149-E166 PolarHBondContact NZ-OE2 2.94Å
150Y95.8Very high96.1Very high86 Ų8649 Ų4934%0.33726%0.259SS..Hα-helixtrans-104.9-14.3-168.1-67.2-72.1000114.5V146 L163 E166 Y192V146-Y150 HydrophobicContact CG1-CD2 3.89Å; V146-Y150 PolarHBondContact O-N 3.27Å; Y150-L163 HydrophobicContact CD2-CD2 4.48Å; Y150-L163 HydrophobicContact CE2-CD2 3.94Å; Y150-E166 PolarHBondContact OH-OE1 3.39Å; Y150-Y192 WeakPolarHBondContact CB-OH 3.34Å
151G95Very high95.9Very high30 Ų3050.8 Ų50.831%0.30928%0.279SS..  trans84.5-141-176.700000111.7H147 Y192H147-G151 PolarHBondContact CE1-O 3.25Å; H147-G151 VanDerWaalsContact CE1-O 3.24Å; H147-G151 PolarHBondContact ND1-O 2.96Å; H147-G151 VanDerWaalsContact ND1-O 3.13Å; H147-G151 WeakPolarHBondContact O-CA 3.4Å; H147-G151 PolarHBondContact O-N 3.21Å; G151-Y192 WeakPolarHBondContact O-CE2 3.44Å; G151-Y192 PolarHBondContact O-OH 2.83Å
152D94.4Very high95.7Very high72 Ų7252.9 Ų52.939%0.38529%0.288SS..SBendtrans-75.5139.9179-78.6-19.6000111.7H147 D154 H158 Y192 R196 G197H147-D152 IonicContact CE1-OD1 2.76Å; H147-D152 PolarHBondContact CE1-OD1 3.41Å; H147-D152 IonicContact NE2-OD1 3.55Å; D152-D154 PolarHBondContact O-N 3.34Å; D152-H158 PolarHBondContact O-CE1 3.41Å; D152-Y192 VanDerWaalsContact C-OH 3.31Å; D152-Y192 PolarHBondContact O-OH 2.8Å; D152-R196 HydrophobicContact CB-CG 4.47Å; D152-G197 PolarHBondContact OD1-N 2.97Å
153Y95.8Very high95.6Very high58 Ų5853.1 Ų53.123%0.22729%0.288CS..  trans-63.8131.5171.6179.1-114.8000111.5P155 H158 T189 Y192 A193Y153-P155 HydrophobicContact CD1-CG 4.34Å; Y153-P155 HydrophobicContact CE1-CB 4.43Å; Y153-P155 HydrophobicContact CE1-CG 3.7Å; Y153-H158 HydrophobicContact CD2-CB 3.83Å; Y153-H158 AromaticContact CD2-ND1 3.98Å; Y153-H158 HydrophobicContact CE2-CB 3.59Å; Y153-T189 HydrophobicContact CD2-CG2 4.16Å; Y153-T189 HydrophobicContact CE2-CG2 3.48Å; Y153-T189 VanDerWaalsContact CE2-CG2 3.48Å; Y153-Y192 AromaticContact CD2-CD1 3.66Å; Y153-Y192 HydrophobicContact CD2-CD1 3.66Å; Y153-Y192 AromaticContact CD2-CE1 3.56Å; Y153-Y192 HydrophobicContact CD2-CE1 3.56Å; Y153-Y192 HydrophobicContact CG-CD1 4.09Å; Y153-Y192 HydrophobicContact CG-CE1 4.06Å; Y153-Y192 PolarHBondContact N-OH 3.09Å; Y153-A193 HydrophobicContact CD1-CB 3.59Å; Y153-A193 HydrophobicContact CE1-CB 4.11Å; Y153-A193 HydrophobicContact CG-CB 4.26Å
154D93.9Very high95.3Very high71 Ų7157 Ų5738%0.3832%0.32SS..  trans-133.1110.9175.8-174.9-18.4000108.7D152 E156 V157 H158D152-D154 PolarHBondContact O-N 3.34Å; D154-E156 PolarHBondContact O-N 2.63Å; D154-E156 VanDerWaalsContact O-N 3.14Å; D154-E156 WeakPolarHBondContact OD1-CB 3.49Å; D154-E156 PolarHBondContact OD1-N 3.42Å; D154-V157 HydrophobicContact CB-CB 4.22Å; D154-V157 HydrophobicContact CB-CG2 4.21Å; D154-V157 PolarHBondContact O-N 2.79Å; D154-V157 VanDerWaalsContact O-N 3.09Å; D154-H158 PolarHBondContact N-ND1 3.35Å; D154-H158 WeakPolarHBondContact O-CB 3.27Å; D154-H158 PolarHBondContact O-N 2.86Å; D154-H158 PolarHBondContact O-ND1 2.96Å
155P93.3Very high95Very high70 Ų7065.8 Ų65.846%0.45536%0.362SS..THydrogen-bonded Turntrans-59.2-19.9178.4-21.730.7000114.6Y153 K159Y153-P155 HydrophobicContact CD1-CG 4.34Å; Y153-P155 HydrophobicContact CE1-CB 4.43Å; Y153-P155 HydrophobicContact CE1-CG 3.7Å; P155-K159 WeakPolarHBondContact O-CD 3.5Å; P155-K159 WeakPolarHBondContact O-CE 3.32Å; P155-K159 PolarHBondContact O-NZ 2.89Å
156E94.1Very high94.7Very high143 Ų14367.7 Ų67.767%0.66837%0.369SS*.THydrogen-bonded Turntrans-81.4-25.8177-64.6-51.9145.700113.4D154 K159D154-E156 PolarHBondContact O-N 2.63Å; D154-E156 VanDerWaalsContact O-N 3.14Å; D154-E156 WeakPolarHBondContact OD1-CB 3.49Å; D154-E156 PolarHBondContact OD1-N 3.42Å; E156-K159 VanDerWaalsContact O-CE 3.25Å; E156-K159 WeakPolarHBondContact O-CE 3.13Å; E156-K159 IonicContact OE1-NZ 3.92Å; E156-K159 IonicContact OE2-NZ 3.69Å; E156-K159 PolarHBondContact OE2-NZ 3.39Å
157V94.1Very high94.5Very high103 Ų10375.4 Ų75.462%0.62441%0.405SS*.THydrogen-bonded Turntrans-98.5-44179.5-179.70000111.1D154 K159D154-V157 HydrophobicContact CB-CB 4.22Å; D154-V157 HydrophobicContact CB-CG2 4.21Å; D154-V157 PolarHBondContact O-N 2.79Å; D154-V157 VanDerWaalsContact O-N 3.09Å; V157-K159 PolarHBondContact O-N 3.23Å
158H95.6Very high94.4Very high19 Ų1976.6 Ų76.69%0.08841%0.411CS..SBendtrans-93.577-173.5-5496.1000110.2D152 Y153 D154 F162 Y192D152-H158 PolarHBondContact O-CE1 3.41Å; Y153-H158 HydrophobicContact CD2-CB 3.83Å; Y153-H158 AromaticContact CD2-ND1 3.98Å; Y153-H158 HydrophobicContact CE2-CB 3.59Å; D154-H158 PolarHBondContact N-ND1 3.35Å; D154-H158 WeakPolarHBondContact O-CB 3.27Å; D154-H158 PolarHBondContact O-N 2.86Å; D154-H158 PolarHBondContact O-ND1 2.96Å; H158-F162 HydrophobicContact CB-CD1 4.09Å; H158-F162 HydrophobicContact CB-CD2 4.25Å; H158-F162 HydrophobicContact CB-CE1 3.97Å; H158-F162 HydrophobicContact CB-CE2 4.12Å; H158-F162 HydrophobicContact CB-CG 4.22Å; H158-F162 HydrophobicContact CB-CZ 3.98Å; H158-F162 AromaticContact CD2-CD2 3.78Å; H158-F162 AromaticContact CD2-CE2 3.59Å; H158-Y192 PolarHBondContact NE2-OH 3.27Å
159K94Very high94.4Very high98 Ų9877.1 Ų77.143%0.42641%0.413SS..  trans-80.5156.2177-58.1-59.9-176.5-169.70111.1P155 E156 V157 G161 F162P155-K159 WeakPolarHBondContact O-CD 3.5Å; P155-K159 WeakPolarHBondContact O-CE 3.32Å; P155-K159 PolarHBondContact O-NZ 2.89Å; E156-K159 VanDerWaalsContact O-CE 3.25Å; E156-K159 WeakPolarHBondContact O-CE 3.13Å; E156-K159 IonicContact OE1-NZ 3.92Å; E156-K159 IonicContact OE2-NZ 3.69Å; E156-K159 PolarHBondContact OE2-NZ 3.39Å; V157-K159 PolarHBondContact O-N 3.23Å; K159-G161 PolarHBondContact O-N 3.28Å; K159-F162 WeakPolarHBondContact O-CB 3.48Å; K159-F162 VanDerWaalsContact O-CD1 3.26Å; K159-F162 WeakPolarHBondContact O-CD1 3.06Å; K159-F162 PolarHBondContact O-N 2.87Å
160P93.6Very high94.5Very high129 Ų12971.4 Ų71.484%0.83839%0.389SS*.THydrogen-bonded Turntrans-51.3135.4178.8-27.234.9000113
161G93.6Very high94.5Very high39 Ų3972.6 Ų72.640%0.40240%0.401SS..THydrogen-bonded Turntrans94.9-3.2-174.400000114.2K159 L163 A164 E185K159-G161 PolarHBondContact O-N 3.28Å; G161-L163 PolarHBondContact O-N 2.76Å; G161-A164 WeakPolarHBondContact O-CB 3.12Å; G161-A164 PolarHBondContact O-N 3.19Å; G161-A164 VanDerWaalsContact O-N 3.12Å; G161-E185 WeakPolarHBondContact CA-OE1 3.35Å; G161-E185 WeakPolarHBondContact CA-OE2 3.36Å; G161-E185 VanDerWaalsContact N-CD 3.35Å; G161-E185 PolarHBondContact N-OE1 3.44Å; G161-E185 PolarHBondContact N-OE2 2.94Å
162F95.6Very high94.6Very high46 Ų4672.4 Ų72.420%0.20239%0.391CS..THydrogen-bonded Turntrans-67-19.2-179.381.5-78.1000113.3V146 H158 K159 E185 T189 Y192V146-F162 HydrophobicContact CG1-CE2 4.35Å; H158-F162 HydrophobicContact CB-CD1 4.09Å; H158-F162 HydrophobicContact CB-CD2 4.25Å; H158-F162 HydrophobicContact CB-CE1 3.97Å; H158-F162 HydrophobicContact CB-CE2 4.12Å; H158-F162 HydrophobicContact CB-CG 4.22Å; H158-F162 HydrophobicContact CB-CZ 3.98Å; H158-F162 AromaticContact CD2-CD2 3.78Å; H158-F162 AromaticContact CD2-CE2 3.59Å; K159-F162 WeakPolarHBondContact O-CB 3.48Å; K159-F162 VanDerWaalsContact O-CD1 3.26Å; K159-F162 WeakPolarHBondContact O-CD1 3.06Å; K159-F162 PolarHBondContact O-N 2.87Å; F162-E185 WeakPolarHBondContact CD1-OE1 3.34Å; F162-E185 PolarHBondContact N-OE1 3.21Å; F162-E185 VanDerWaalsContact N-OE1 3.16Å; F162-T189 HydrophobicContact CE1-CG2 4.38Å; F162-Y192 HydrophobicContact CE2-CE1 4.34Å; F162-Y192 HydrophobicContact CZ-CD1 4.2Å; F162-Y192 HydrophobicContact CZ-CE1 4.15Å
163L95.8Very high94.7Very high8 Ų869 Ų694%0.04237%0.373CS..THydrogen-bonded Turntrans-98.14.8175.5-61.5-178.6000113.6V146 Y150 G161 E165 E166 L168 E185 I188V146-L163 HydrophobicContact CG1-CD1 4.45Å; V146-L163 HydrophobicContact CG1-CD2 4.07Å; V146-L163 HydrophobicContact CG2-CD1 3.96Å; V146-L163 HydrophobicContact CG2-CD2 3.84Å; Y150-L163 HydrophobicContact CD2-CD2 4.48Å; Y150-L163 HydrophobicContact CE2-CD2 3.94Å; G161-L163 PolarHBondContact O-N 2.76Å; L163-E165 PolarHBondContact O-N 3.24Å; L163-E166 HydrophobicContact CD2-CG 4.05Å; L163-E166 WeakPolarHBondContact O-CB 3.29Å; L163-E166 PolarHBondContact O-N 3.03Å; L163-L168 HydrophobicContact CB-CD1 4.12Å; L163-L168 HydrophobicContact CD1-CD1 3.84Å; L163-L168 HydrophobicContact CD2-CD1 4.24Å; L163-L168 HydrophobicContact CG-CD1 4.29Å; L163-E185 HydrophobicContact CB-CG 4.1Å; L163-E185 HydrophobicContact CD1-CG 4.19Å; L163-E185 HydrophobicContact CG-CG 4.39Å; L163-E185 PolarHBondContact N-OE1 3.37Å; L163-I188 HydrophobicContact CD1-CG2 4.06Å
164A92.3Very high94.7Very high81 Ų8169.3 Ų69.367%0.66938%0.377SS*.THydrogen-bonded Turntrans-62.3-27.2-172.100000114.5G161G161-A164 WeakPolarHBondContact O-CB 3.12Å; G161-A164 PolarHBondContact O-N 3.19Å; G161-A164 VanDerWaalsContact O-N 3.12Å
165E90.9Very high94.7Very high193 Ų19370.2 Ų70.290%0.90238%0.383SS*.THydrogen-bonded Turntrans-91.3-3.9177.5-62.5-174.3172.900113.2L163L163-E165 PolarHBondContact O-N 3.24Å
166E92.9Very high94.8Very high47 Ų4767 Ų6722%0.2236%0.361CS..  trans-90.1130.7-176.4-57.2-65.7155.400112.3K149 Y150 L163 L168K149-E166 IonicContact NZ-OE1 2.89Å; K149-E166 PolarHBondContact NZ-OE1 3.07Å; K149-E166 IonicContact NZ-OE2 3.87Å; K149-E166 PolarHBondContact NZ-OE2 2.94Å; Y150-E166 PolarHBondContact OH-OE1 3.39Å; L163-E166 HydrophobicContact CD2-CG 4.05Å; L163-E166 WeakPolarHBondContact O-CB 3.29Å; L163-E166 PolarHBondContact O-N 3.03Å; E166-L168 HydrophobicContact CB-CD1 3.96Å; E166-L168 HydrophobicContact CB-CD2 3.84Å; E166-L168 HydrophobicContact CB-CG 3.58Å; E166-L168 PolarHBondContact O-N 2.97Å
167E94.4Very high94.9Very high164 Ų16460.5 Ų60.577%0.76633%0.331SS*.  trans-8494.1166.2-66.7-179.3177.800109.6L127L127-E167 VanDerWaalsContact CD1-O 3.31Å; L127-E167 WeakPolarHBondContact CD1-O 3.32Å
168L94.5Very high94.9Very high26 Ų2662.5 Ų62.514%0.13633%0.333CS..  trans-105.3-25.2-172.9-64.7177.8000114.7L127 A142 V146 L163 E166 I188L127-L168 VanDerWaalsContact CD2-C 3.49Å; L127-L168 WeakPolarHBondContact CD2-O 3.3Å; A142-L168 HydrophobicContact CB-CB 3.99Å; V146-L168 HydrophobicContact CG2-CD1 3.76Å; V146-L168 HydrophobicContact CG2-CD2 3.9Å; L163-L168 HydrophobicContact CB-CD1 4.12Å; L163-L168 HydrophobicContact CD1-CD1 3.84Å; L163-L168 HydrophobicContact CD2-CD1 4.24Å; L163-L168 HydrophobicContact CG-CD1 4.29Å; E166-L168 HydrophobicContact CB-CD1 3.96Å; E166-L168 HydrophobicContact CB-CD2 3.84Å; E166-L168 HydrophobicContact CB-CG 3.58Å; E166-L168 PolarHBondContact O-N 2.97Å; L168-I188 HydrophobicContact CB-CD1 4.12Å; L168-I188 HydrophobicContact CD1-CD1 3.98Å; L168-I188 HydrophobicContact CD1-CG2 4.33Å
169L97.7Very high94.9Very high14 Ų1462.7 Ų62.77%0.07334%0.335CS..SBendtrans-125.9145.9-175.2-63.1176.3000110.9V139 A142 I174 W184 I188V139-L169 HydrophobicContact CG2-CD2 4.38Å; A142-L169 HydrophobicContact CB-CD2 4.07Å; L169-I174 HydrophobicContact CB-CD1 4.19Å; L169-I174 HydrophobicContact CB-CG1 3.91Å; L169-I174 HydrophobicContact CD1-CG1 4.45Å; L169-W184 HydrophobicContact CD1-CB 4.16Å; L169-W184 HydrophobicContact CD1-CD2 3.54Å; L169-W184 HydrophobicContact CD1-CE3 3.55Å; L169-W184 HydrophobicContact CD1-CG 3.85Å; L169-W184 HydrophobicContact CD1-CZ3 4.14Å; L169-I188 HydrophobicContact CD1-CD1 4.18Å; L169-I188 HydrophobicContact CD2-CD1 4.46Å; L169-I188 HydrophobicContact CG-CD1 4.18Å
170P97.5Very high94.9Very high2 Ų261.6 Ų61.61%0.01334%0.336CS..  trans-60.8144171.1-19.531.1000111.6I126 E129 R172 V173 I174I126-P170 HydrophobicContact CG2-CG 4.19Å; E129-P170 HydrophobicContact CG-CB 3.88Å; P170-R172 PolarHBondContact O-N 2.86Å; P170-V173 HydrophobicContact CB-CG2 4.22Å; P170-V173 HydrophobicContact CG-CG2 4.13Å; P170-V173 WeakPolarHBondContact O-CB 3.24Å; P170-V173 PolarHBondContact O-N 3.43Å; P170-I174 PolarHBondContact O-N 3.21Å
171N95.7Very high94.9Very high111 Ų11159.3 Ų59.359%0.59433%0.328SS*.Hα-helixtrans-56.7-37.8-179.6-77.1-42.5000112.4E129 V173 I174 N175E129-N171 PolarHBondContact OE1-N 3.35Å; N171-V173 VanDerWaalsContact C-N 3.32Å; N171-V173 PolarHBondContact O-N 2.84Å; N171-I174 PolarHBondContact O-N 2.94Å; N171-N175 VanDerWaalsContact O-CB 3.31Å; N171-N175 WeakPolarHBondContact O-CB 3.3Å; N171-N175 PolarHBondContact O-N 2.87Å; N171-N175 PolarHBondContact O-ND2 2.66Å
172R96.2Very high95Very high27 Ų2764.8 Ų64.810%0.10234%0.343CS..Hα-helixtrans-54.4-46.2172.4177.3-17355.87412.9111.9E129 C133 P170 N175 L176 T553 D556E129-R172 VanDerWaalsContact OE1-CB 3.24Å; E129-R172 WeakPolarHBondContact OE1-CB 3.32Å; E129-R172 PolarHBondContact OE1-N 3.09Å; C133-R172 PolarHBondContact O-NH2 3.48Å; P170-R172 PolarHBondContact O-N 2.86Å; R172-N175 PolarHBondContact O-N 2.69Å; R172-L176 VanDerWaalsContact O-CB 3.3Å; R172-L176 WeakPolarHBondContact O-CB 3.36Å; R172-L176 PolarHBondContact O-N 3.41Å; R172-T553 HydrophobicContact CG-CG2 3.82Å; R172-D556 IonicContact CZ-OD1 3.69Å; R172-D556 IonicContact NE-OD1 3.3Å; R172-D556 IonicContact NH1-OD1 3.23Å; R172-D556 PolarHBondContact NH1-OD1 3.35Å; R172-D556 IonicContact NH1-OD2 2.69Å
173V96.8Very high95Very high0 Ų065.6 Ų65.60%035%0.349CS..Hα-helixtrans-65.9-46.1-178.5175.90000110.2P135 P170 N171 N175 L176 Y177 W184P135-V173 HydrophobicContact CB-CG1 4.02Å; P170-V173 HydrophobicContact CB-CG2 4.22Å; P170-V173 HydrophobicContact CG-CG2 4.13Å; P170-V173 WeakPolarHBondContact O-CB 3.24Å; P170-V173 PolarHBondContact O-N 3.43Å; N171-V173 VanDerWaalsContact C-N 3.32Å; N171-V173 PolarHBondContact O-N 2.84Å; V173-N175 VanDerWaalsContact C-N 3.29Å; V173-N175 PolarHBondContact O-N 3.2Å; V173-L176 PolarHBondContact O-N 3.06Å; V173-Y177 WeakPolarHBondContact O-CD2 3.27Å; V173-W184 HydrophobicContact CG1-CH2 3.96Å; V173-W184 HydrophobicContact CG1-CZ2 4.2Å
174I95.9Very high95Very high64 Ų6465.7 Ų65.733%0.32835%0.348SS..Hα-helixtrans-58.6-45.4177.3-61.9171.5000110.3L169 P170 N171 L176L169-I174 HydrophobicContact CB-CD1 4.19Å; L169-I174 HydrophobicContact CB-CG1 3.91Å; L169-I174 HydrophobicContact CD1-CG1 4.45Å; P170-I174 PolarHBondContact O-N 3.21Å; N171-I174 PolarHBondContact O-N 2.94Å; I174-L176 VanDerWaalsContact C-N 3.31Å; I174-L176 PolarHBondContact O-N 3.31Å
175N95.2Very high95.2Very high91 Ų9163 Ų6349%0.48732%0.322SS..Hα-helixtrans-71.5-23.6-177.9-71.3-33.4000113.6N171 R172 V173 Y177 R551N171-N175 VanDerWaalsContact O-CB 3.31Å; N171-N175 WeakPolarHBondContact O-CB 3.3Å; N171-N175 PolarHBondContact O-N 2.87Å; N171-N175 PolarHBondContact O-ND2 2.66Å; R172-N175 PolarHBondContact O-N 2.69Å; V173-N175 VanDerWaalsContact C-N 3.29Å; V173-N175 PolarHBondContact O-N 3.2Å; N175-Y177 VanDerWaalsContact C-N 3.29Å; N175-Y177 PolarHBondContact O-N 3.4Å; N175-R551 WeakPolarHBondContact O-CD 3.45Å; N175-R551 PolarHBondContact O-NH1 3.3Å
176L95.4Very high95.4Very high2 Ų260.6 Ų60.61%0.0131%0.311CS..Hα-helixtrans-72.8-20.2-177.8-177.158.8000113.1P135 R172 V173 I174 K547 L548 R551 E552P135-L176 HydrophobicContact CG-CD2 3.9Å; R172-L176 VanDerWaalsContact O-CB 3.3Å; R172-L176 WeakPolarHBondContact O-CB 3.36Å; R172-L176 PolarHBondContact O-N 3.41Å; V173-L176 PolarHBondContact O-N 3.06Å; I174-L176 VanDerWaalsContact C-N 3.31Å; I174-L176 PolarHBondContact O-N 3.31Å; L176-K547 HydrophobicContact CD1-CG 4.37Å; L176-K547 HydrophobicContact CG-CG 4.25Å; L176-L548 WeakPolarHBondContact O-CB 3.45Å; L176-L548 PolarHBondContact O-N 3.02Å; L176-R551 HydrophobicContact CD1-CB 4.19Å; L176-E552 HydrophobicContact CD1-CB 4.5Å; L176-E552 HydrophobicContact CD1-CG 3.8Å
177Y95.7Very high95.5Very high6 Ų660.1 Ų60.12%0.02431%0.307CS..BIsolated β-bridgetrans-120.4146.2-176.9-63.7-95.9000111.7P135 V173 N175 M179 W184 I543 L546 K547P135-Y177 HydrophobicContact CB-CE2 3.59Å; P135-Y177 WeakPolarHBondContact CB-OH 3.28Å; P135-Y177 HydrophobicContact CG-CE2 3.67Å; P135-Y177 WeakPolarHBondContact CG-OH 3.45Å; V173-Y177 WeakPolarHBondContact O-CD2 3.27Å; N175-Y177 VanDerWaalsContact C-N 3.29Å; N175-Y177 PolarHBondContact O-N 3.4Å; Y177-M179 PolarHBondContact O-N 3.41Å; Y177-W184 AromaticContact CD2-CH2 3.82Å; Y177-W184 HydrophobicContact CD2-CH2 3.82Å; Y177-W184 AromaticContact CD2-CZ2 3.83Å; Y177-W184 HydrophobicContact CD2-CZ2 3.83Å; Y177-W184 HydrophobicContact CE2-CH2 4.38Å; Y177-W184 HydrophobicContact CG-CH2 4.13Å; Y177-W184 HydrophobicContact CG-CZ2 4.05Å; Y177-I543 HydrophobicContact CD1-CB 4.21Å; Y177-I543 HydrophobicContact CD1-CG1 4.48Å; Y177-I543 WeakPolarHBondContact CD1-O 3.45Å; Y177-I543 HydrophobicContact CE1-CB 3.82Å; Y177-I543 HydrophobicContact CE1-CD1 3.96Å; Y177-I543 HydrophobicContact CE1-CG1 3.61Å; Y177-I543 WeakPolarHBondContact CE1-O 3.41Å; Y177-I543 HydrophobicContact CE2-CD1 4.18Å; Y177-I543 WeakPolarHBondContact OH-CD1 3.37Å; Y177-L546 CarbonylContact C-O 3.58Å; Y177-L546 WeakPolarHBondContact CA-O 3.47Å; Y177-L546 HydrophobicContact CD1-CB 4.42Å; Y177-K547 HydrophobicContact CD1-CB 3.9Å; Y177-K547 HydrophobicContact CD1-CG 4.36Å; Y177-K547 HydrophobicContact CE1-CB 3.55Å; Y177-K547 HydrophobicContact CE1-CD 4.28Å; Y177-K547 HydrophobicContact CE1-CG 3.82Å
178Q94.6Very high95.7Very high145 Ų14552.5 Ų52.568%0.67827%0.271SS*.  trans-80.770171.6-166.7176.125.300110.3L546 L548Q178-L546 PolarHBondContact N-O 3.37Å; Q178-L548 HydrophobicContact CB-CD1 4.38Å; Q178-L548 HydrophobicContact CB-CD2 4.37Å; Q178-L548 HydrophobicContact CB-CG 4.44Å
179M94.1Very high95.7Very high24 Ų2452 Ų5212%0.11827%0.27CS..  trans-127.3145.3-177.8-72.5179.472.900111.9Y177 M183 W184 R187 L546Y177-M179 PolarHBondContact O-N 3.41Å; M179-M183 HydrophobicContact CB-CB 4.33Å; M179-M183 HydrophobicContact CB-SD 4.46Å; M179-M183 HydrophobicContact CE-CB 3.59Å; M179-M183 WeakPolarHBondContact CE-O 3.45Å; M179-M183 HydrophobicContact CG-CE 4.16Å; M179-W184 HydrophobicContact CB-CZ2 4.47Å; M179-W184 HydrophobicContact CE-CD2 3.6Å; M179-W184 HydrophobicContact CE-CE3 3.67Å; M179-W184 HydrophobicContact CE-CG 4.01Å; M179-W184 HydrophobicContact CE-CH2 4.48Å; M179-W184 HydrophobicContact CE-CZ2 4.45Å; M179-W184 HydrophobicContact CE-CZ3 4.11Å; M179-W184 HydrophobicContact SD-CD2 3.78Å; M179-W184 VanDerWaalsContact SD-CE2 3.52Å; M179-W184 HydrophobicContact SD-CE3 3.91Å; M179-W184 HydrophobicContact SD-CH2 3.63Å; M179-W184 HydrophobicContact SD-CZ2 3.49Å; M179-W184 WeakPolarHBondContact SD-CZ2 3.4Å; M179-W184 HydrophobicContact SD-CZ3 3.83Å; M179-R187 HydrophobicContact CE-CG 4.48Å; M179-R187 PolarHBondContact SD-NH1 2.91Å; M179-L546 HydrophobicContact CG-CB 4.37Å; M179-L546 HydrophobicContact CG-CD1 3.65Å; M179-L546 HydrophobicContact SD-CD1 4.41Å
180T94.5Very high95.6Very high74 Ų7454.1 Ų54.145%0.45429%0.289SS..  trans-80.9164169.266.80000110.5E182 M183 W184T180-E182 PolarHBondContact O-N 2.86Å; T180-M183 HydrophobicContact CG2-SD 4.45Å; T180-M183 PolarHBondContact O-N 3.48Å; T180-M183 WeakPolarHBondContact OG1-CG 3.31Å; T180-M183 PolarHBondContact OG1-N 3.29Å; T180-W184 PolarHBondContact O-N 3.29Å
181A94.4Very high95.5Very high82 Ų8254.6 Ų54.668%0.67829%0.292SS*.Hα-helixtrans-57.6-39.3173.500000111.8M183 W184 E185A181-M183 PolarHBondContact O-N 3.09Å; A181-W184 PolarHBondContact O-N 3.35Å; A181-E185 WeakPolarHBondContact O-CB 3.44Å; A181-E185 PolarHBondContact O-N 2.81Å
182E94.6Very high95.5Very high153 Ų15349.3 Ų49.372%0.71526%0.264SS*.Hα-helixtrans-61.9-40.7176.7-64.2174.2179.400112.3T180 W184 E185 E186T180-E182 PolarHBondContact O-N 2.86Å; E182-W184 VanDerWaalsContact C-N 3.32Å; E182-W184 PolarHBondContact O-N 2.93Å; E182-E185 PolarHBondContact O-N 2.82Å; E182-E186 WeakPolarHBondContact O-CB 3.02Å; E182-E186 PolarHBondContact O-N 3.42Å
183M95.3Very high95.5Very high63 Ų6350 Ų5031%0.3128%0.275SS..Hα-helixtrans-66.6-34.7176.4-67.2171.874.200112.2M179 T180 A181 R187 L546M179-M183 HydrophobicContact CB-CB 4.33Å; M179-M183 HydrophobicContact CB-SD 4.46Å; M179-M183 HydrophobicContact CE-CB 3.59Å; M179-M183 WeakPolarHBondContact CE-O 3.45Å; M179-M183 HydrophobicContact CG-CE 4.16Å; T180-M183 HydrophobicContact CG2-SD 4.45Å; T180-M183 PolarHBondContact O-N 3.48Å; T180-M183 WeakPolarHBondContact OG1-CG 3.31Å; T180-M183 PolarHBondContact OG1-N 3.29Å; A181-M183 PolarHBondContact O-N 3.09Å; M183-R187 WeakPolarHBondContact O-CG 3.37Å; M183-R187 PolarHBondContact O-N 2.86Å; M183-L546 HydrophobicContact CE-CD1 3.45Å; M183-L546 VanDerWaalsContact CE-CD1 3.45Å
184W96.5Very high95.3Very high11 Ų1155 Ų554%0.04230%0.299CS..Hα-helixtrans-68.8-43.5173.1-77.4121.2000111.5V139 L169 V173 Y177 M179 T180 A181 E182 E186 R187 I188V139-W184 HydrophobicContact CG2-CE3 4.03Å; V139-W184 HydrophobicContact CG2-CZ3 3.55Å; L169-W184 HydrophobicContact CD1-CB 4.16Å; L169-W184 HydrophobicContact CD1-CD2 3.54Å; L169-W184 HydrophobicContact CD1-CE3 3.55Å; L169-W184 HydrophobicContact CD1-CG 3.85Å; L169-W184 HydrophobicContact CD1-CZ3 4.14Å; V173-W184 HydrophobicContact CG1-CH2 3.96Å; V173-W184 HydrophobicContact CG1-CZ2 4.2Å; Y177-W184 AromaticContact CD2-CH2 3.82Å; Y177-W184 HydrophobicContact CD2-CH2 3.82Å; Y177-W184 AromaticContact CD2-CZ2 3.83Å; Y177-W184 HydrophobicContact CD2-CZ2 3.83Å; Y177-W184 HydrophobicContact CE2-CH2 4.38Å; Y177-W184 HydrophobicContact CG-CH2 4.13Å; Y177-W184 HydrophobicContact CG-CZ2 4.05Å; M179-W184 HydrophobicContact CB-CZ2 4.47Å; M179-W184 HydrophobicContact CE-CD2 3.6Å; M179-W184 HydrophobicContact CE-CE3 3.67Å; M179-W184 HydrophobicContact CE-CG 4.01Å; M179-W184 HydrophobicContact CE-CH2 4.48Å; M179-W184 HydrophobicContact CE-CZ2 4.45Å; M179-W184 HydrophobicContact CE-CZ3 4.11Å; M179-W184 HydrophobicContact SD-CD2 3.78Å; M179-W184 VanDerWaalsContact SD-CE2 3.52Å; M179-W184 HydrophobicContact SD-CE3 3.91Å; M179-W184 HydrophobicContact SD-CH2 3.63Å; M179-W184 HydrophobicContact SD-CZ2 3.49Å; M179-W184 WeakPolarHBondContact SD-CZ2 3.4Å; M179-W184 HydrophobicContact SD-CZ3 3.83Å; T180-W184 PolarHBondContact O-N 3.29Å; A181-W184 PolarHBondContact O-N 3.35Å; E182-W184 VanDerWaalsContact C-N 3.32Å; E182-W184 PolarHBondContact O-N 2.93Å; W184-E186 VanDerWaalsContact C-N 3.33Å; W184-E186 PolarHBondContact O-N 2.85Å; W184-R187 PolarHBondContact O-N 2.78Å; W184-I188 VanDerWaalsContact O-CG1 3.28Å; W184-I188 WeakPolarHBondContact O-CG1 2.99Å; W184-I188 PolarHBondContact O-N 3.33Å
185E96.7Very high95.1Very high23 Ų2352 Ų5211%0.10728%0.283CS..Hα-helixtrans-58.4-44.1175.5177.8171.2175.200111.5G161 F162 L163 A181 E182 R187 I188 T189G161-E185 WeakPolarHBondContact CA-OE1 3.35Å; G161-E185 WeakPolarHBondContact CA-OE2 3.36Å; G161-E185 VanDerWaalsContact N-CD 3.35Å; G161-E185 PolarHBondContact N-OE1 3.44Å; G161-E185 PolarHBondContact N-OE2 2.94Å; F162-E185 WeakPolarHBondContact CD1-OE1 3.34Å; F162-E185 PolarHBondContact N-OE1 3.21Å; F162-E185 VanDerWaalsContact N-OE1 3.16Å; L163-E185 HydrophobicContact CB-CG 4.1Å; L163-E185 HydrophobicContact CD1-CG 4.19Å; L163-E185 HydrophobicContact CG-CG 4.39Å; L163-E185 PolarHBondContact N-OE1 3.37Å; A181-E185 WeakPolarHBondContact O-CB 3.44Å; A181-E185 PolarHBondContact O-N 2.81Å; E182-E185 PolarHBondContact O-N 2.82Å; E185-R187 PolarHBondContact O-N 3Å; E185-I188 PolarHBondContact O-N 3.17Å; E185-T189 WeakPolarHBondContact O-CB 3.33Å; E185-T189 PolarHBondContact O-N 2.81Å; E185-T189 PolarHBondContact O-OG1 3.04Å
186E95.1Very high94.9Very high143 Ų14356.4 Ų56.467%0.66829%0.293SS*.Hα-helixtrans-58.6-47.3177.1-173.2179-176.200111.7E182 W184 T189 A190E182-E186 WeakPolarHBondContact O-CB 3.02Å; E182-E186 PolarHBondContact O-N 3.42Å; W184-E186 VanDerWaalsContact C-N 3.33Å; W184-E186 PolarHBondContact O-N 2.85Å; E186-T189 PolarHBondContact O-N 3Å; E186-A190 WeakPolarHBondContact O-CB 3.24Å; E186-A190 PolarHBondContact O-N 2.64Å
187R95.3Very high94.5Very high37 Ų3757.4 Ų57.414%0.1430%0.304CS..Hα-helixtrans-65-44.3178.5-69.9-174.1-179167.4-9.7112.7V139 M179 M183 W184 E185 T189 A190 C191 E542 I543V139-R187 HydrophobicContact CG1-CB 4.34Å; M179-R187 HydrophobicContact CE-CG 4.48Å; M179-R187 PolarHBondContact SD-NH1 2.91Å; M183-R187 WeakPolarHBondContact O-CG 3.37Å; M183-R187 PolarHBondContact O-N 2.86Å; W184-R187 PolarHBondContact O-N 2.78Å; E185-R187 PolarHBondContact O-N 3Å; R187-T189 VanDerWaalsContact C-N 3.29Å; R187-T189 PolarHBondContact O-N 3.01Å; R187-A190 PolarHBondContact O-N 2.57Å; R187-C191 PolarHBondContact O-N 2.8Å; R187-E542 PolarHBondContact NH2-O 2.88Å; R187-I543 VanDerWaalsContact NH1-CA 3.33Å
188I97.2Very high94.3Very high4 Ų460.9 Ų60.92%0.02132%0.317CS..Hα-helixtrans-63.2-40.5176.8-66.8166000110.1V139 A142 V146 L163 L168 L169 W184 E185 C191 Y192V139-I188 HydrophobicContact CG1-CG1 4.14Å; A142-I188 HydrophobicContact CB-CD1 3.93Å; A142-I188 HydrophobicContact CB-CG1 4.05Å; A142-I188 HydrophobicContact CB-CG2 4.21Å; V146-I188 HydrophobicContact CG2-CG2 4.04Å; L163-I188 HydrophobicContact CD1-CG2 4.06Å; L168-I188 HydrophobicContact CB-CD1 4.12Å; L168-I188 HydrophobicContact CD1-CD1 3.98Å; L168-I188 HydrophobicContact CD1-CG2 4.33Å; L169-I188 HydrophobicContact CD1-CD1 4.18Å; L169-I188 HydrophobicContact CD2-CD1 4.46Å; L169-I188 HydrophobicContact CG-CD1 4.18Å; W184-I188 VanDerWaalsContact O-CG1 3.28Å; W184-I188 WeakPolarHBondContact O-CG1 2.99Å; W184-I188 PolarHBondContact O-N 3.33Å; E185-I188 PolarHBondContact O-N 3.17Å; I188-C191 PolarHBondContact O-N 2.87Å; I188-Y192 VanDerWaalsContact O-CB 3.27Å; I188-Y192 WeakPolarHBondContact O-CB 3.25Å; I188-Y192 PolarHBondContact O-N 3.23Å
189T96.4Very high94.2Very high17 Ų1756.4 Ų56.410%0.10430%0.3CS..Hα-helixtrans-68-37.4180-57.80000111.8Y153 F162 E185 E186 R187 Y192 A193Y153-T189 HydrophobicContact CD2-CG2 4.16Å; Y153-T189 HydrophobicContact CE2-CG2 3.48Å; Y153-T189 VanDerWaalsContact CE2-CG2 3.48Å; F162-T189 HydrophobicContact CE1-CG2 4.38Å; E185-T189 WeakPolarHBondContact O-CB 3.33Å; E185-T189 PolarHBondContact O-N 2.81Å; E185-T189 PolarHBondContact O-OG1 3.04Å; E186-T189 PolarHBondContact O-N 3Å; R187-T189 VanDerWaalsContact C-N 3.29Å; R187-T189 PolarHBondContact O-N 3.01Å; T189-Y192 WeakPolarHBondContact O-CB 3.41Å; T189-Y192 PolarHBondContact O-N 3.17Å; T189-A193 PolarHBondContact O-N 3.31Å
190A95Very high94.2Very high58 Ų5859.7 Ų59.748%0.47931%0.313SS..Hα-helixtrans-59.1-50.6174.100000111.2E186 R187 Y192 A193E186-A190 WeakPolarHBondContact O-CB 3.24Å; E186-A190 PolarHBondContact O-N 2.64Å; R187-A190 PolarHBondContact O-N 2.57Å; A190-Y192 VanDerWaalsContact C-N 3.34Å; A190-Y192 PolarHBondContact O-N 2.93Å; A190-A193 PolarHBondContact O-N 3.42Å
191C95.3Very high94.2Very high12 Ų1258.7 Ų58.78%0.08131%0.305CS..Hα-helixtrans-63.5-38.7174.2-63.30000112.5S143 R187 I188 A193 E194 H195S143-C191 VanDerWaalsContact CB-CB 3.43Å; S143-C191 WeakPolarHBondContact OG-CB 3.35Å; R187-C191 PolarHBondContact O-N 2.8Å; I188-C191 PolarHBondContact O-N 2.87Å; C191-A193 VanDerWaalsContact C-N 3.29Å; C191-A193 PolarHBondContact O-N 2.68Å; C191-E194 WeakPolarHBondContact O-CB 3.34Å; C191-E194 PolarHBondContact O-N 3.49Å; C191-E194 VanDerWaalsContact O-N 3.16Å; C191-H195 PolarHBondContact O-CD2 2.97Å; C191-H195 PolarHBondContact O-NE2 3.48Å
192Y95.8Very high94.1Very high0 Ų059.1 Ų59.10%029%0.293CS..Hα-helixtrans-59.7-39.2178.5172-144.9000111.8V146 H147 Y150 G151 D152 Y153 H158 F162 I188 T189 A190 E194 H195V146-Y192 HydrophobicContact CG1-CD1 3.54Å; V146-Y192 HydrophobicContact CG1-CD2 4.07Å; V146-Y192 HydrophobicContact CG1-CE1 3.62Å; V146-Y192 HydrophobicContact CG1-CE2 4.18Å; V146-Y192 HydrophobicContact CG1-CG 3.77Å; H147-Y192 HydrophobicContact CB-CD2 3.9Å; H147-Y192 HydrophobicContact CB-CE2 3.86Å; H147-Y192 AromaticContact CG-CE2 4Å; H147-Y192 AromaticContact ND1-CD2 3.76Å; H147-Y192 AromaticContact ND1-CE2 3.47Å; H147-Y192 WeakPolarHBondContact ND1-CE2 3.39Å; Y150-Y192 WeakPolarHBondContact CB-OH 3.34Å; G151-Y192 WeakPolarHBondContact O-CE2 3.44Å; G151-Y192 PolarHBondContact O-OH 2.83Å; D152-Y192 VanDerWaalsContact C-OH 3.31Å; D152-Y192 PolarHBondContact O-OH 2.8Å; Y153-Y192 AromaticContact CD2-CD1 3.66Å; Y153-Y192 HydrophobicContact CD2-CD1 3.66Å; Y153-Y192 AromaticContact CD2-CE1 3.56Å; Y153-Y192 HydrophobicContact CD2-CE1 3.56Å; Y153-Y192 HydrophobicContact CG-CD1 4.09Å; Y153-Y192 HydrophobicContact CG-CE1 4.06Å; Y153-Y192 PolarHBondContact N-OH 3.09Å; H158-Y192 PolarHBondContact NE2-OH 3.27Å; F162-Y192 HydrophobicContact CE2-CE1 4.34Å; F162-Y192 HydrophobicContact CZ-CD1 4.2Å; F162-Y192 HydrophobicContact CZ-CE1 4.15Å; I188-Y192 VanDerWaalsContact O-CB 3.27Å; I188-Y192 WeakPolarHBondContact O-CB 3.25Å; I188-Y192 PolarHBondContact O-N 3.23Å; T189-Y192 WeakPolarHBondContact O-CB 3.41Å; T189-Y192 PolarHBondContact O-N 3.17Å; A190-Y192 VanDerWaalsContact C-N 3.34Å; A190-Y192 PolarHBondContact O-N 2.93Å; Y192-E194 PolarHBondContact O-N 3.45Å; Y192-H195 WeakPolarHBondContact O-CB 3.42Å; Y192-H195 PolarHBondContact O-N 3.42Å
193A95.1Very high94.3Very high41 Ų4151.8 Ų51.834%0.33926%0.259SS..Hα-helixtrans-62.1-29.2177.600000113.5Y153 T189 A190 C191 H195Y153-A193 HydrophobicContact CD1-CB 3.59Å; Y153-A193 HydrophobicContact CE1-CB 4.11Å; Y153-A193 HydrophobicContact CG-CB 4.26Å; T189-A193 PolarHBondContact O-N 3.31Å; A190-A193 PolarHBondContact O-N 3.42Å; C191-A193 VanDerWaalsContact C-N 3.29Å; C191-A193 PolarHBondContact O-N 2.68Å; A193-H195 PolarHBondContact O-N 2.9Å
194E93.3Very high94.4Very high105 Ų10548.8 Ų48.849%0.49124%0.244SC..Hα-helixtrans-73.2-16176.8-59.9-176177.800113.2C191 Y192 R196 R198 Q535C191-E194 WeakPolarHBondContact O-CB 3.34Å; C191-E194 PolarHBondContact O-N 3.49Å; C191-E194 VanDerWaalsContact O-N 3.16Å; Y192-E194 PolarHBondContact O-N 3.45Å; E194-R196 VanDerWaalsContact C-N 3.25Å; E194-R196 PolarHBondContact O-N 3.41Å; E194-R198 PolarHBondContact O-NH1 3.09Å; E194-Q535 PolarHBondContact OE2-NE2 3.22Å
195H92.4Very high94.4Very high0 Ų048.9 Ų48.90%025%0.245CC..THydrogen-bonded Turntrans-82.7-2.4-178.7-61.5-31.4000113.9S143 Y144 H147 C191 Y192 A193 G197 R198S143-H195 PolarHBondContact OG-NE2 2.92Å; Y144-H195 AromaticContact CD1-CD2 3.98Å; Y144-H195 AromaticContact CD1-NE2 3.89Å; Y144-H195 AromaticContact CE1-CE1 3.49Å; Y144-H195 VanDerWaalsContact CE1-CE1 3.49Å; Y144-H195 WeakPolarHBondContact CE1-CE1 3.47Å; Y144-H195 AromaticContact CE1-CG 3.97Å; Y144-H195 AromaticContact CE1-ND1 3.55Å; Y144-H195 AromaticContact CE1-NE2 3.81Å; Y144-H195 AromaticContact CE2-CE1 3.87Å; Y144-H195 AromaticContact CZ-CE1 3.39Å; Y144-H195 AromaticContact CZ-ND1 3.83Å; Y144-H195 AromaticContact CZ-NE2 3.9Å; H147-H195 HydrophobicContact CB-CB 4.27Å; H147-H195 PolarHBondContact CE1-O 3.44Å; H147-H195 WeakPolarHBondContact ND1-CB 3.44Å; C191-H195 PolarHBondContact O-CD2 2.97Å; C191-H195 PolarHBondContact O-NE2 3.48Å; Y192-H195 WeakPolarHBondContact O-CB 3.42Å; Y192-H195 PolarHBondContact O-N 3.42Å; A193-H195 PolarHBondContact O-N 2.9Å; H195-G197 PolarHBondContact O-N 2.91Å; H195-R198 VanDerWaalsContact O-CB 3.31Å; H195-R198 WeakPolarHBondContact O-CB 3.33Å; H195-R198 WeakPolarHBondContact O-CG 3.32Å; H195-R198 PolarHBondContact O-N 2.91Å
196R90.1Very high94.4Very high184 Ų18449.9 Ų49.969%0.69425%0.25SS*.THydrogen-bonded Turntrans-49129.8-176.7-170.3179.2-174.1-174.64.9112.4D152 E194D152-R196 HydrophobicContact CB-CG 4.47Å; E194-R196 VanDerWaalsContact C-N 3.25Å; E194-R196 PolarHBondContact O-N 3.41Å
197G87.7Confident94.5Very high24 Ų2443.3 Ų43.325%0.24722%0.219CC..THydrogen-bonded Turntrans81.911.4-177.800000113.8D152 H195 R336D152-G197 PolarHBondContact OD1-N 2.97Å; H195-G197 PolarHBondContact O-N 2.91Å; G197-R336 PolarHBondContact O-NH1 3.23Å; G197-R336 PolarHBondContact O-NH2 3.47Å
198R90.9Very high94.7Very high79 Ų7941.6 Ų41.630%0.29821%0.213SC..  trans-87.4143.6161.9-69.4178.2175.183.6-13.8109.9H147 E194 H195 E202H147-R198 PolarHBondContact NE2-O 3.38Å; E194-R198 PolarHBondContact O-NH1 3.09Å; H195-R198 VanDerWaalsContact O-CB 3.31Å; H195-R198 WeakPolarHBondContact O-CB 3.33Å; H195-R198 WeakPolarHBondContact O-CG 3.32Å; H195-R198 PolarHBondContact O-N 2.91Å; R198-E202 HydrophobicContact CB-CB 4.42Å
199T92.1Very high94.6Very high50 Ų5042.8 Ų42.831%0.30722%0.218SC..  trans-75.3162.1169.260.40000110.2D201 E202 A203T199-D201 VanDerWaalsContact C-N 3.28Å; T199-D201 PolarHBondContact O-N 3.5Å; T199-E202 WeakPolarHBondContact CB-OE2 3.45Å; T199-E202 PolarHBondContact N-OE2 3.47Å; T199-E202 PolarHBondContact O-N 3.22Å; T199-E202 WeakPolarHBondContact OG1-CB 2.78Å; T199-E202 WeakPolarHBondContact OG1-CG 3.37Å; T199-E202 PolarHBondContact OG1-N 3.22Å; T199-E202 PolarHBondContact OG1-OE2 2.84Å; T199-A203 PolarHBondContact O-N 2.74Å
200K94Very high94.6Very high93 Ų9342.6 Ų42.640%0.40422%0.216SC..Hα-helixtrans-53.9-47.4173.2173.4175.8175.6-169.70111.6A148 E202 A203 E204A148-K200 HydrophobicContact CB-CG 4.4Å; A148-K200 WeakPolarHBondContact O-CD 3.48Å; A148-K200 WeakPolarHBondContact O-CE 3.5Å; A148-K200 WeakPolarHBondContact O-CG 3.49Å; K200-E202 VanDerWaalsContact C-N 3.34Å; K200-E202 PolarHBondContact O-N 2.67Å; K200-A203 PolarHBondContact O-N 3.21Å; K200-E204 WeakPolarHBondContact CE-OE1 3.39Å; K200-E204 WeakPolarHBondContact O-CG 3.49Å; K200-E204 PolarHBondContact O-N 3.35Å
201D94.1Very high94.8Very high53 Ų5339.8 Ų39.828%0.28319%0.193SC..Hα-helixtrans-66.8-36.3-178.6-51.9-35.7000111.1Q115 T199 E204 M205Q115-D201 PolarHBondContact NE2-O 2.9Å; T199-D201 VanDerWaalsContact C-N 3.28Å; T199-D201 PolarHBondContact O-N 3.5Å; D201-E204 PolarHBondContact O-N 3.05Å; D201-M205 WeakPolarHBondContact O-CB 3.38Å; D201-M205 PolarHBondContact O-N 3.13Å
202E94Very high94.8Very high91 Ų9140.7 Ų40.743%0.42520%0.196SC..Hα-helixtrans-64.7-41.9173-73.5163.1154.700111.8R198 T199 K200 E204 M205 E206 R336R198-E202 HydrophobicContact CB-CB 4.42Å; T199-E202 WeakPolarHBondContact CB-OE2 3.45Å; T199-E202 PolarHBondContact N-OE2 3.47Å; T199-E202 PolarHBondContact O-N 3.22Å; T199-E202 WeakPolarHBondContact OG1-CB 2.78Å; T199-E202 WeakPolarHBondContact OG1-CG 3.37Å; T199-E202 PolarHBondContact OG1-N 3.22Å; T199-E202 PolarHBondContact OG1-OE2 2.84Å; K200-E202 VanDerWaalsContact C-N 3.34Å; K200-E202 PolarHBondContact O-N 2.67Å; E202-E204 PolarHBondContact O-N 3.47Å; E202-M205 PolarHBondContact O-N 3.26Å; E202-E206 WeakPolarHBondContact O-CG 3.44Å; E202-E206 PolarHBondContact O-N 3Å; E202-R336 IonicContact OE2-NH1 3.99Å
203A97Very high94.7Very high0 Ų044.2 Ų44.20%022%0.215CC..Hα-helixtrans-64.2-40.617800000112.5Y144 H147 A148 T199 K200 M205 E206 Y207Y144-A203 HydrophobicContact CD1-CB 4.22Å; H147-A203 HydrophobicContact CB-CB 4.18Å; A148-A203 HydrophobicContact CB-CB 4.29Å; T199-A203 PolarHBondContact O-N 2.74Å; K200-A203 PolarHBondContact O-N 3.21Å; A203-M205 VanDerWaalsContact C-N 3.35Å; A203-E206 PolarHBondContact O-N 2.73Å; A203-Y207 WeakPolarHBondContact O-CB 3.41Å; A203-Y207 PolarHBondContact O-N 2.72Å
204E97.9Very high94.8Very high0 Ų043 Ų430%020%0.202CC..Hα-helixtrans-65.1-37.9174.5-70.3179.6-172.100112.4R116 F119 A148 K200 D201 E202 Y207 L208R116-E204 VanDerWaalsContact CA-OE2 3.31Å; R116-E204 WeakPolarHBondContact CA-OE2 3.27Å; R116-E204 VanDerWaalsContact CD-CD 3.42Å; R116-E204 WeakPolarHBondContact CD-OE1 3.37Å; R116-E204 WeakPolarHBondContact CD-OE2 3.31Å; R116-E204 IonicContact CZ-OE1 2.69Å; R116-E204 IonicContact NE-OE1 3.77Å; R116-E204 IonicContact NH1-OE1 3.64Å; R116-E204 PolarHBondContact NH1-OE1 3.28Å; F119-E204 HydrophobicContact CB-CB 4.11Å; F119-E204 HydrophobicContact CB-CG 4.29Å; F119-E204 HydrophobicContact CD1-CB 4.39Å; F119-E204 HydrophobicContact CD1-CG 3.67Å; F119-E204 HydrophobicContact CD2-CB 4.32Å; F119-E204 HydrophobicContact CD2-CG 4.21Å; F119-E204 HydrophobicContact CE1-CG 4.02Å; F119-E204 HydrophobicContact CG-CB 4.01Å; F119-E204 HydrophobicContact CG-CG 3.78Å; F119-E204 HydrophobicContact CZ-CG 4.42Å; A148-E204 HydrophobicContact CB-CG 3.75Å; K200-E204 WeakPolarHBondContact CE-OE1 3.39Å; K200-E204 WeakPolarHBondContact O-CG 3.49Å; K200-E204 PolarHBondContact O-N 3.35Å; D201-E204 PolarHBondContact O-N 3.05Å; E202-E204 PolarHBondContact O-N 3.47Å; E204-Y207 WeakPolarHBondContact O-CB 3.22Å; E204-L208 WeakPolarHBondContact O-CG 3.41Å; E204-L208 PolarHBondContact O-N 2.83Å
205M96.9Very high94.9Very high13 Ų1339 Ų396%0.06419%0.185CC..Hα-helixtrans-68.2-44.5175.7-176.256.37700111.6A105 E106 L109 Q115 D201 E202 A203 Y207 L208 K209A105-M205 HydrophobicContact CB-SD 4.31Å; E106-M205 HydrophobicContact CB-SD 4.17Å; L109-M205 HydrophobicContact CB-CE 4.17Å; Q115-M205 HydrophobicContact CG-CE 3.93Å; D201-M205 WeakPolarHBondContact O-CB 3.38Å; D201-M205 PolarHBondContact O-N 3.13Å; E202-M205 PolarHBondContact O-N 3.26Å; A203-M205 VanDerWaalsContact C-N 3.35Å; M205-Y207 VanDerWaalsContact C-N 3.3Å; M205-Y207 PolarHBondContact O-N 2.82Å; M205-L208 PolarHBondContact O-N 3.42Å; M205-L208 VanDerWaalsContact O-N 3.1Å; M205-K209 HydrophobicContact CG-CD 3.97Å; M205-K209 HydrophobicContact CG-CG 4.38Å; M205-K209 WeakPolarHBondContact O-CG 3.46Å; M205-K209 PolarHBondContact O-N 2.94Å; M205-K209 HydrophobicContact SD-CG 4.39Å
206E96.5Very high95.1Very high44 Ų4439.6 Ų39.621%0.20619%0.187CC..Hα-helixtrans-62.5-37.8176.6-70.1-56.8150.100111.8Y144 E202 A203 L208 K209 I210Y144-E206 HydrophobicContact CD1-CB 4.03Å; Y144-E206 HydrophobicContact CE1-CB 3.63Å; Y144-E206 HydrophobicContact CE1-CG 4.24Å; Y144-E206 HydrophobicContact CE2-CB 4.35Å; E202-E206 WeakPolarHBondContact O-CG 3.44Å; E202-E206 PolarHBondContact O-N 3Å; A203-E206 PolarHBondContact O-N 2.73Å; E206-L208 VanDerWaalsContact C-N 3.34Å; E206-L208 PolarHBondContact O-N 2.86Å; E206-K209 PolarHBondContact O-N 2.91Å; E206-K209 IonicContact OE1-NZ 2.66Å; E206-K209 PolarHBondContact OE1-NZ 3.03Å; E206-K209 IonicContact OE2-NZ 3.45Å; E206-I210 WeakPolarHBondContact O-CG1 3.31Å; E206-I210 PolarHBondContact O-N 3.47Å; E206-I210 VanDerWaalsContact O-N 3.08Å
207Y98.4Very high95.5Very high5 Ų531.2 Ų31.22%0.0216%0.156CC..Hα-helixtrans-54.9-49.4170.2-172.4-73.1000111.5F119 V122 K123 I126 L141 A145 A203 E204 M205 I210 A211F119-Y207 AromaticContact CD2-CD1 3.71Å; F119-Y207 HydrophobicContact CD2-CD1 3.71Å; F119-Y207 HydrophobicContact CD2-CD2 4.13Å; F119-Y207 HydrophobicContact CD2-CE1 4.35Å; F119-Y207 AromaticContact CD2-CG 3.62Å; F119-Y207 HydrophobicContact CD2-CG 3.62Å; F119-Y207 HydrophobicContact CE2-CD1 4.02Å; F119-Y207 AromaticContact CE2-CD2 3.59Å; F119-Y207 HydrophobicContact CE2-CD2 3.59Å; F119-Y207 HydrophobicContact CE2-CE1 4.47Å; F119-Y207 HydrophobicContact CE2-CE2 4.05Å; F119-Y207 AromaticContact CE2-CG 3.59Å; F119-Y207 HydrophobicContact CE2-CG 3.59Å; V122-Y207 HydrophobicContact CG1-CE1 4.17Å; K123-Y207 WeakPolarHBondContact CA-OH 3.5Å; K123-Y207 HydrophobicContact CB-CE1 4.25Å; K123-Y207 HydrophobicContact CG-CE2 4.37Å; I126-Y207 HydrophobicContact CD1-CE1 4.24Å; L141-Y207 HydrophobicContact CB-CD2 4.01Å; L141-Y207 HydrophobicContact CB-CE2 3.51Å; L141-Y207 HydrophobicContact CD2-CD1 3.94Å; L141-Y207 HydrophobicContact CD2-CD2 3.68Å; L141-Y207 HydrophobicContact CD2-CE1 4.03Å; L141-Y207 HydrophobicContact CD2-CE2 3.82Å; L141-Y207 HydrophobicContact CD2-CG 3.73Å; L141-Y207 WeakPolarHBondContact CD2-O 3.36Å; L141-Y207 HydrophobicContact CG-CD2 4.43Å; L141-Y207 HydrophobicContact CG-CE2 4.16Å; L141-Y207 VanDerWaalsContact O-CD2 3.23Å; L141-Y207 WeakPolarHBondContact O-CD2 3.47Å; L141-Y207 WeakPolarHBondContact O-CE2 3.39Å; A145-Y207 HydrophobicContact CB-CD2 4.39Å; A145-Y207 HydrophobicContact CB-CE2 4.18Å; A203-Y207 WeakPolarHBondContact O-CB 3.41Å; A203-Y207 PolarHBondContact O-N 2.72Å; E204-Y207 WeakPolarHBondContact O-CB 3.22Å; M205-Y207 VanDerWaalsContact C-N 3.3Å; M205-Y207 PolarHBondContact O-N 2.82Å; Y207-I210 PolarHBondContact O-N 3.5Å; Y207-A211 HydrophobicContact CD1-CB 4.37Å; Y207-A211 HydrophobicContact CE1-CB 4.27Å; Y207-A211 VanDerWaalsContact O-CB 3.29Å; Y207-A211 WeakPolarHBondContact O-CB 3.33Å; Y207-A211 PolarHBondContact O-N 3.5Å
208L98.4Very high95.9Very high0 Ų030.4 Ų30.40%015%0.147CC..Hα-helixtrans-67.2-36-179.8-71.9174000112.6A105 L109 Q115 F118 F119 V122 E204 M205 E206 I210 A211 Q212A105-L208 HydrophobicContact CB-CB 4.13Å; L109-L208 HydrophobicContact CD1-CD1 3.78Å; Q115-L208 HydrophobicContact CG-CD1 4.02Å; F118-L208 HydrophobicContact CB-CD1 3.92Å; F118-L208 HydrophobicContact CB-CD2 4.23Å; F119-L208 HydrophobicContact CB-CD1 4.34Å; F119-L208 HydrophobicContact CB-CG 4.36Å; V122-L208 HydrophobicContact CB-CD2 4.08Å; V122-L208 HydrophobicContact CG1-CD2 4.47Å; V122-L208 HydrophobicContact CG2-CD2 3.87Å; E204-L208 WeakPolarHBondContact O-CG 3.41Å; E204-L208 PolarHBondContact O-N 2.83Å; M205-L208 PolarHBondContact O-N 3.42Å; M205-L208 VanDerWaalsContact O-N 3.1Å; E206-L208 VanDerWaalsContact C-N 3.34Å; E206-L208 PolarHBondContact O-N 2.86Å; L208-I210 VanDerWaalsContact C-N 3.31Å; L208-I210 PolarHBondContact O-N 2.99Å; L208-A211 PolarHBondContact O-N 3.16Å; L208-Q212 WeakPolarHBondContact O-CB 3.43Å; L208-Q212 WeakPolarHBondContact O-CG 3.41Å; L208-Q212 PolarHBondContact O-N 3.35Å
209K96.4Very high96.2Very high30 Ų3027 Ų2713%0.1314%0.135CC..Hα-helixtrans-64-35.6177-75168.464.9175.70112.6E106 M205 E206 Q212E106-K209 HydrophobicContact CB-CD 4.24Å; E106-K209 HydrophobicContact CB-CG 4.37Å; E106-K209 HydrophobicContact CG-CD 4.44Å; E106-K209 IonicContact OE1-NZ 3.5Å; E106-K209 PolarHBondContact OE1-NZ 3.09Å; E106-K209 VanDerWaalsContact OE2-CE 3.27Å; E106-K209 WeakPolarHBondContact OE2-CE 3.5Å; E106-K209 IonicContact OE2-NZ 2.92Å; E106-K209 PolarHBondContact OE2-NZ 3.38Å; M205-K209 HydrophobicContact CG-CD 3.97Å; M205-K209 HydrophobicContact CG-CG 4.38Å; M205-K209 WeakPolarHBondContact O-CG 3.46Å; M205-K209 PolarHBondContact O-N 2.94Å; M205-K209 HydrophobicContact SD-CG 4.39Å; E206-K209 PolarHBondContact O-N 2.91Å; E206-K209 IonicContact OE1-NZ 2.66Å; E206-K209 PolarHBondContact OE1-NZ 3.03Å; E206-K209 IonicContact OE2-NZ 3.45Å; K209-Q212 VanDerWaalsContact O-CG 3.23Å; K209-Q212 WeakPolarHBondContact O-CG 3.49Å; K209-Q212 PolarHBondContact O-NE2 2.67Å
210I96.1Very high96.4Very high12 Ų1226.8 Ų26.86%0.06213%0.132CC..Hα-helixtrans-75.8-47.1173.3-63.5164.4000110L140 L141 Y144 E206 Y207 L208 Q212 D213 L532L140-I210 HydrophobicContact CD2-CD1 3.79Å; L140-I210 HydrophobicContact CG-CD1 4.09Å; L141-I210 HydrophobicContact CD2-CB 3.85Å; L141-I210 HydrophobicContact CD2-CD1 4.49Å; L141-I210 HydrophobicContact CD2-CG2 3.84Å; L141-I210 HydrophobicContact CG-CG2 4.17Å; Y144-I210 HydrophobicContact CD2-CD1 3.91Å; Y144-I210 HydrophobicContact CE2-CD1 3.49Å; Y144-I210 VanDerWaalsContact CE2-CD1 3.49Å; E206-I210 WeakPolarHBondContact O-CG1 3.31Å; E206-I210 PolarHBondContact O-N 3.47Å; E206-I210 VanDerWaalsContact O-N 3.08Å; Y207-I210 PolarHBondContact O-N 3.5Å; L208-I210 VanDerWaalsContact C-N 3.31Å; L208-I210 PolarHBondContact O-N 2.99Å; I210-Q212 VanDerWaalsContact C-N 3.31Å; I210-Q212 PolarHBondContact O-N 3.02Å; I210-D213 PolarHBondContact O-N 3.39Å; I210-L532 HydrophobicContact CD1-CD1 3.86Å; I210-L532 HydrophobicContact CG1-CD1 3.97Å; I210-L532 HydrophobicContact CG1-CD2 4.01Å
211A97.7Very high96.4Very high0 Ų024.7 Ų24.70%012%0.122CC..Hα-helixtrans-65.2-30.7-175.300000113.5V122 I126 Y207 L208 D213 L214 Y217V122-A211 HydrophobicContact CG1-CB 3.66Å; I126-A211 HydrophobicContact CD1-CB 4.16Å; Y207-A211 HydrophobicContact CD1-CB 4.37Å; Y207-A211 HydrophobicContact CE1-CB 4.27Å; Y207-A211 VanDerWaalsContact O-CB 3.29Å; Y207-A211 WeakPolarHBondContact O-CB 3.33Å; Y207-A211 PolarHBondContact O-N 3.5Å; L208-A211 PolarHBondContact O-N 3.16Å; A211-D213 PolarHBondContact O-N 3.22Å; A211-L214 HydrophobicContact CB-CD1 4.47Å; A211-L214 VanDerWaalsContact O-CB 3.31Å; A211-L214 WeakPolarHBondContact O-CB 3.22Å; A211-L214 WeakPolarHBondContact O-CG 3.06Å; A211-L214 PolarHBondContact O-N 3.46Å; A211-L214 VanDerWaalsContact O-N 3.14Å; A211-Y217 HydrophobicContact CB-CD2 4.4Å; A211-Y217 VanDerWaalsContact O-CB 3.27Å; A211-Y217 WeakPolarHBondContact O-CB 3.39Å; A211-Y217 WeakPolarHBondContact O-CD2 3.49Å
212Q96.1Very high96.5Very high31 Ų3123.4 Ų23.415%0.14511%0.114CC..THydrogen-bonded Turntrans-63.6-26.6-179.666179.5-11.800113.8A105 L208 K209 I210 L214 Y217 K569A105-Q212 VanDerWaalsContact N-OE1 3.07Å; L208-Q212 WeakPolarHBondContact O-CB 3.43Å; L208-Q212 WeakPolarHBondContact O-CG 3.41Å; L208-Q212 PolarHBondContact O-N 3.35Å; K209-Q212 VanDerWaalsContact O-CG 3.23Å; K209-Q212 WeakPolarHBondContact O-CG 3.49Å; K209-Q212 PolarHBondContact O-NE2 2.67Å; I210-Q212 VanDerWaalsContact C-N 3.31Å; I210-Q212 PolarHBondContact O-N 3.02Å; Q212-L214 VanDerWaalsContact C-N 3.31Å; Q212-Y217 HydrophobicContact CB-CD1 4.01Å; Q212-Y217 HydrophobicContact CB-CE1 3.66Å; Q212-Y217 HydrophobicContact CB-CE2 4.39Å; Q212-Y217 HydrophobicContact CB-CG 4.5Å; Q212-K569 PolarHBondContact O-NZ 3.28Å
213D94.3Very high96.5Very high73 Ų7323 Ų2339%0.3912%0.121SC..THydrogen-bonded Turntrans-81.8-9.2179.2-76.3-33.5000113I210 A211 Q570I210-D213 PolarHBondContact O-N 3.39Å; A211-D213 PolarHBondContact O-N 3.22Å; D213-Q570 PolarHBondContact OD1-NE2 2.86Å
214L96.2Very high96.4Very high16 Ų1623.2 Ų23.28%0.08412%0.122CC..SBendtrans-63.4136.3171.5-60.5176.4000110.6I126 I131 C133 A211 Q212 M216 Y217 K569I126-L214 HydrophobicContact CD1-CD1 3.84Å; I126-L214 HydrophobicContact CG1-CD1 4.33Å; I131-L214 HydrophobicContact CG2-CB 4.16Å; I131-L214 HydrophobicContact CG2-CD1 3.77Å; C133-L214 HydrophobicContact CB-CD1 4Å; A211-L214 HydrophobicContact CB-CD1 4.47Å; A211-L214 VanDerWaalsContact O-CB 3.31Å; A211-L214 WeakPolarHBondContact O-CB 3.22Å; A211-L214 WeakPolarHBondContact O-CG 3.06Å; A211-L214 PolarHBondContact O-N 3.46Å; A211-L214 VanDerWaalsContact O-N 3.14Å; Q212-L214 VanDerWaalsContact C-N 3.31Å; L214-M216 VanDerWaalsContact C-N 3.26Å; L214-M216 PolarHBondContact O-N 3.27Å; L214-Y217 VanDerWaalsContact O-CB 3.28Å; L214-Y217 WeakPolarHBondContact O-CB 3.31Å; L214-Y217 PolarHBondContact O-N 3.17Å; L214-K569 WeakPolarHBondContact O-CD 3.44Å; L214-K569 PolarHBondContact O-NZ 2.87Å
215D95.6Very high96.2Very high22 Ų2228.7 Ų28.712%0.11814%0.143CC..THydrogen-bonded Turntrans-58.1-37.3-172.5-67.5-61.4000113L250D215-L250 HydrophobicContact CB-CB 4.08Å; D215-L250 HydrophobicContact CB-CD2 4.13Å
216M97.1Very high95.9Very high12 Ų1228.1 Ų28.16%0.05914%0.14CC..THydrogen-bonded Turntrans-87.8-5.2-178.8-58-17562.600113.8E130 I131 H132 L214 G218 V219 Y221 K249 L250 L555E130-M216 WeakPolarHBondContact O-CE 3.46Å; I131-M216 HydrophobicContact CG2-CB 4.3Å; H132-M216 HydrophobicContact CB-CG 4.34Å; H132-M216 HydrophobicContact CB-SD 3.49Å; H132-M216 WeakPolarHBondContact CB-SD 3.43Å; L214-M216 VanDerWaalsContact C-N 3.26Å; L214-M216 PolarHBondContact O-N 3.27Å; M216-G218 PolarHBondContact O-N 3.38Å; M216-V219 PolarHBondContact O-N 3.13Å; M216-Y221 HydrophobicContact CB-CE2 4.45Å; M216-Y221 HydrophobicContact CE-CE2 3.83Å; M216-Y221 WeakPolarHBondContact CG-OH 3.49Å; M216-K249 HydrophobicContact CE-CB 4.09Å; M216-K249 HydrophobicContact CE-CD 3.86Å; M216-K249 HydrophobicContact SD-CB 4.27Å; M216-L250 HydrophobicContact CG-CD2 3.65Å; M216-L250 HydrophobicContact SD-CD2 3.81Å; M216-L555 HydrophobicContact SD-CD1 4.46Å
217Y97.7Very high95.5Very high8 Ų831.7 Ų31.73%0.03116%0.155CC..THydrogen-bonded Turntrans-64.1128-178.2172.7-85.7000111.6Y101 V122 A211 Q212 L214 V219 K569Y101-Y217 AromaticContact CD1-CE1 3.85Å; Y101-Y217 HydrophobicContact CD1-CE1 3.85Å; Y101-Y217 AromaticContact CD1-CE2 3.98Å; Y101-Y217 HydrophobicContact CD1-CE2 3.98Å; Y101-Y217 AromaticContact CD1-CZ 3.54Å; Y101-Y217 HydrophobicContact CE1-CE2 4.04Å; V122-Y217 HydrophobicContact CG1-CD2 4.13Å; V122-Y217 HydrophobicContact CG1-CE2 4.03Å; V122-Y217 HydrophobicContact CG2-CD2 4.35Å; V122-Y217 HydrophobicContact CG2-CE2 3.67Å; A211-Y217 HydrophobicContact CB-CD2 4.4Å; A211-Y217 VanDerWaalsContact O-CB 3.27Å; A211-Y217 WeakPolarHBondContact O-CB 3.39Å; A211-Y217 WeakPolarHBondContact O-CD2 3.49Å; Q212-Y217 HydrophobicContact CB-CD1 4.01Å; Q212-Y217 HydrophobicContact CB-CE1 3.66Å; Q212-Y217 HydrophobicContact CB-CE2 4.39Å; Q212-Y217 HydrophobicContact CB-CG 4.5Å; L214-Y217 VanDerWaalsContact O-CB 3.28Å; L214-Y217 WeakPolarHBondContact O-CB 3.31Å; L214-Y217 PolarHBondContact O-N 3.17Å; Y217-V219 PolarHBondContact O-N 2.86Å; Y217-K569 PolarHBondContact O-NZ 3.46Å
218G96.2Very high95.1Very high6 Ų637.9 Ų37.96%0.06218%0.182CC..THydrogen-bonded Turntrans74.11.6176.900000115M216M216-G218 PolarHBondContact O-N 3.38Å
219V97.3Very high94.7Very high8 Ų839.8 Ų39.85%0.04820%0.201CC..PPolyproline II helixtrans-91.8125.8-176.3-170.60000111M216 Y217 Y221 D237 Y244M216-V219 PolarHBondContact O-N 3.13Å; Y217-V219 PolarHBondContact O-N 2.86Å; V219-Y221 HydrophobicContact CB-CD2 4.45Å; V219-Y221 HydrophobicContact CB-CE2 3.74Å; V219-Y221 HydrophobicContact CG1-CD1 4.18Å; V219-Y221 HydrophobicContact CG1-CD2 4.18Å; V219-Y221 HydrophobicContact CG1-CE1 3.76Å; V219-Y221 HydrophobicContact CG1-CE2 3.74Å; V219-Y221 HydrophobicContact CG1-CG 4.39Å; V219-D237 HydrophobicContact CG2-CB 4.21Å; V219-Y244 HydrophobicContact CG1-CE2 4.48Å
220N95.8Very high94.6Very high46 Ų4640.7 Ų40.725%0.24621%0.209CC..EExtended strand (participates in β ladder)trans-97.9116.9170.8-63.4-89.8000109.7F222 G235 V236 L299N220-F222 HydrophobicContact CB-CE2 3.73Å; N220-F222 HydrophobicContact CB-CZ 4.08Å; N220-G235 CarbonylContact O-C 3.55Å; N220-G235 WeakPolarHBondContact O-CA 3.34Å; N220-V236 PolarHBondContact N-O 3.21Å; N220-V236 PolarHBondContact ND2-O 2.97Å; N220-V236 PolarHBondContact O-N 3Å; N220-L299 HydrophobicContact CB-CD1 3.96Å
221Y95.6Very high94.5Very high49 Ų4944.6 Ų44.619%0.19223%0.231CC..EExtended strand (participates in β ladder)trans-95.8135-175.8-63.1-88000112.7M216 V219 L234 Y244 K249M216-Y221 HydrophobicContact CB-CE2 4.45Å; M216-Y221 HydrophobicContact CE-CE2 3.83Å; M216-Y221 WeakPolarHBondContact CG-OH 3.49Å; V219-Y221 HydrophobicContact CB-CD2 4.45Å; V219-Y221 HydrophobicContact CB-CE2 3.74Å; V219-Y221 HydrophobicContact CG1-CD1 4.18Å; V219-Y221 HydrophobicContact CG1-CD2 4.18Å; V219-Y221 HydrophobicContact CG1-CE1 3.76Å; V219-Y221 HydrophobicContact CG1-CE2 3.74Å; V219-Y221 HydrophobicContact CG1-CG 4.39Å; Y221-L234 CarbonylContact C-O 3.6Å; Y221-L234 WeakPolarHBondContact CA-O 3.25Å; Y221-Y244 HydrophobicContact CD1-CD2 4.28Å; Y221-Y244 HydrophobicContact CD1-CE2 4.37Å; Y221-Y244 HydrophobicContact CE1-CD1 4.46Å; Y221-Y244 AromaticContact CE1-CD2 3.95Å; Y221-Y244 HydrophobicContact CE1-CD2 3.95Å; Y221-Y244 HydrophobicContact CE1-CE1 4.31Å; Y221-Y244 AromaticContact CE1-CE2 3.79Å; Y221-Y244 HydrophobicContact CE1-CE2 3.79Å; Y221-Y244 HydrophobicContact CE1-CG 4.29Å; Y221-K249 HydrophobicContact CD1-CG 4.42Å; Y221-K249 HydrophobicContact CE1-CB 3.98Å; Y221-K249 HydrophobicContact CE1-CG 4.21Å; Y221-K249 PolarHBondContact OH-O 2.75Å
222F94.5Very high94.4Very high25 Ų2544.9 Ų44.911%0.1123%0.232CC..EExtended strand (participates in β ladder)trans-133.7130.2177.5-58.4-79.7000111.6N220 I224 L233 L234 V236 V292 L295 I296 L299N220-F222 HydrophobicContact CB-CE2 3.73Å; N220-F222 HydrophobicContact CB-CZ 4.08Å; F222-I224 PolarHBondContact O-N 2.73Å; F222-L233 CarbonylContact O-C 3.56Å; F222-L233 WeakPolarHBondContact O-CA 3.19Å; F222-L234 HydrophobicContact CB-CB 4.4Å; F222-L234 PolarHBondContact N-O 2.84Å; F222-L234 PolarHBondContact O-N 3.09Å; F222-V236 HydrophobicContact CD2-CG2 4.18Å; F222-V236 HydrophobicContact CE2-CG2 4.07Å; F222-V292 HydrophobicContact CB-CG1 4.49Å; F222-V292 HydrophobicContact CD1-CG1 3.72Å; F222-V292 HydrophobicContact CE1-CG1 4.44Å; F222-V292 HydrophobicContact CG-CG1 4.43Å; F222-L295 HydrophobicContact CE1-CD2 3.93Å; F222-L295 HydrophobicContact CE1-CG 4.21Å; F222-L295 HydrophobicContact CZ-CD2 4.31Å; F222-L295 HydrophobicContact CZ-CG 4.26Å; F222-I296 HydrophobicContact CB-CD1 3.87Å; F222-I296 HydrophobicContact CB-CG1 4.22Å; F222-I296 HydrophobicContact CD1-CD1 4.2Å; F222-I296 HydrophobicContact CD1-CG1 3.8Å; F222-I296 HydrophobicContact CD2-CD1 4.22Å; F222-I296 HydrophobicContact CD2-CG1 3.67Å; F222-I296 HydrophobicContact CE1-CG1 4.07Å; F222-I296 HydrophobicContact CE2-CG1 3.94Å; F222-I296 HydrophobicContact CG-CD1 3.82Å; F222-I296 HydrophobicContact CG-CG1 3.59Å; F222-I296 HydrophobicContact CZ-CG1 4.14Å; F222-L299 HydrophobicContact CE2-CD1 3.89Å; F222-L299 HydrophobicContact CZ-CD1 3.53Å
223S94.4Very high94.4Very high83 Ų8344 Ų4458%0.5823%0.229SC*.EExtended strand (participates in β ladder)trans-68.9123.6172-51.40000111.2
224I94.6Very high94.6Very high4 Ų440.6 Ų40.62%0.02121%0.21CC..EExtended strand (participates in β ladder)trans-132.9164.4-178.761.1155.9000110.6F222 L232 L234 I243 F285 N286 F588F222-I224 PolarHBondContact O-N 2.73Å; I224-L232 HydrophobicContact CD1-CB 4.41Å; I224-L232 HydrophobicContact CG1-CB 4.05Å; I224-L232 WeakPolarHBondContact CG1-O 3.28Å; I224-L232 PolarHBondContact N-O 2.86Å; I224-L232 PolarHBondContact O-N 3.07Å; I224-L232 VanDerWaalsContact O-O 3.06Å; I224-L234 HydrophobicContact CD1-CB 3.93Å; I224-L234 HydrophobicContact CG1-CB 4.13Å; I224-L234 HydrophobicContact CG2-CB 3.9Å; I224-I243 HydrophobicContact CD1-CD1 4.05Å; I224-F285 HydrophobicContact CB-CB 4.42Å; I224-F285 HydrophobicContact CB-CD2 3.66Å; I224-F285 HydrophobicContact CB-CE2 4.24Å; I224-F285 HydrophobicContact CB-CG 4.26Å; I224-F285 HydrophobicContact CD1-CB 4.04Å; I224-F285 HydrophobicContact CD1-CD1 4.43Å; I224-F285 HydrophobicContact CD1-CD2 4.15Å; I224-F285 HydrophobicContact CD1-CG 3.96Å; I224-F285 HydrophobicContact CG2-CD2 3.39Å; I224-F285 HydrophobicContact CG2-CE2 3.44Å; I224-F285 VanDerWaalsContact CG2-CE2 3.44Å; I224-F285 HydrophobicContact CG2-CG 4.32Å; I224-F285 HydrophobicContact CG2-CZ 4.38Å; I224-N286 CarbonylContact C-O 3.6Å; I224-N286 WeakPolarHBondContact CA-O 3.48Å; I224-F588 HydrophobicContact CD1-CE2 4.28Å; I224-F588 HydrophobicContact CD1-CZ 4.44Å
225R93.9Very high94.6Very high115 Ų11539.9 Ų39.943%0.43421%0.206SC..EExtended strand (participates in β ladder)trans-127137.3169.5-79.5-171-82.8-101.48.3111.3G229 T230 D231 F285 N286R225-G229 WeakPolarHBondContact CD-O 3.45Å; R225-T230 VanDerWaalsContact CA-O 3.3Å; R225-T230 WeakPolarHBondContact CA-O 3.41Å; R225-D231 WeakPolarHBondContact CD-OD1 3.33Å; R225-D231 WeakPolarHBondContact CG-OD1 3.46Å; R225-D231 IonicContact CZ-OD1 2.75Å; R225-D231 IonicContact NE-OD1 3.97Å; R225-D231 IonicContact NH1-OD1 3.62Å; R225-D231 PolarHBondContact NH1-OD1 3.03Å; R225-F285 CarbonylContact O-C 3.46Å; R225-F285 VanDerWaalsContact O-CA 3.32Å; R225-F285 WeakPolarHBondContact O-CA 3.26Å; R225-F285 WeakPolarHBondContact O-CB 3.43Å; R225-N286 PolarHBondContact N-O 3.08Å; R225-N286 PolarHBondContact O-N 2.86Å
226N91.9Very high94.7Very high2 Ų238.8 Ų38.81%0.01120%0.201CC..  trans-76.7-173.9171.273.12.7000111.4K228 G229 T230 L232 F588 L591N226-K228 VanDerWaalsContact C-N 3.3Å; N226-K228 PolarHBondContact O-N 3.07Å; N226-K228 WeakPolarHBondContact OD1-CA 3.45Å; N226-K228 WeakPolarHBondContact OD1-CB 3.32Å; N226-K228 PolarHBondContact OD1-N 3.01Å; N226-G229 PolarHBondContact O-N 3.32Å; N226-G229 PolarHBondContact OD1-N 3.18Å; N226-T230 PolarHBondContact N-O 2.75Å; N226-T230 PolarHBondContact OD1-N 3.41Å; N226-L232 HydrophobicContact CB-CD1 4.33Å; N226-F588 HydrophobicContact CB-CE1 3.75Å; N226-F588 HydrophobicContact CB-CE2 4.12Å; N226-F588 HydrophobicContact CB-CZ 3.51Å; N226-F588 PolarHBondContact ND2-O 2.94Å; N226-L591 PolarHBondContact ND2-OXT 3.21Å
227K87.6Confident94.7Very high119 Ų11938.7 Ų38.752%0.51720%0.2SC..THydrogen-bonded Turntrans-65.7-29.4179.1-67.4-164.2-170.692.60113.8G229 E589K227-G229 PolarHBondContact O-N 3.41Å; K227-E589 WeakPolarHBondContact CB-OE2 3.43Å; K227-E589 WeakPolarHBondContact CD-OE2 3.29Å; K227-E589 VanDerWaalsContact CG-OE2 3.28Å; K227-E589 WeakPolarHBondContact CG-OE2 3.42Å; K227-E589 VanDerWaalsContact NZ-CD 3.29Å; K227-E589 IonicContact NZ-OE1 2.75Å; K227-E589 PolarHBondContact NZ-OE1 3.47Å; K227-E589 IonicContact NZ-OE2 3.09Å; K227-E589 PolarHBondContact NZ-OE2 3.35Å
228K90.2Very high94.6Very high135 Ų13538.6 Ų38.659%0.58720%0.201SC*.THydrogen-bonded Turntrans-75.2-14.8176.1-68.7-176.8176.7178.60112.9N226 E589 E590N226-K228 VanDerWaalsContact C-N 3.3Å; N226-K228 PolarHBondContact O-N 3.07Å; N226-K228 WeakPolarHBondContact OD1-CA 3.45Å; N226-K228 WeakPolarHBondContact OD1-CB 3.32Å; N226-K228 PolarHBondContact OD1-N 3.01Å; K228-E589 WeakPolarHBondContact CD-O 3.43Å; K228-E589 WeakPolarHBondContact CE-O 3.26Å; K228-E590 PolarHBondContact NZ-O 3.21Å
229G89.5Confident94.5Very high39 Ų3940.9 Ų40.940%0.40221%0.212SC..  trans90.88.4-177.900000113.9R225 N226 K227 D231R225-G229 WeakPolarHBondContact CD-O 3.45Å; N226-G229 PolarHBondContact O-N 3.32Å; N226-G229 PolarHBondContact OD1-N 3.18Å; K227-G229 PolarHBondContact O-N 3.41Å; G229-D231 PolarHBondContact O-N 3.4Å
230T93.8Very high94.4Very high49 Ų4940.5 Ų40.530%0.30121%0.209SC..  trans-63.3126.9174.2-51.20000109.7R225 N226 L232 L591R225-T230 VanDerWaalsContact CA-O 3.3Å; R225-T230 WeakPolarHBondContact CA-O 3.41Å; N226-T230 PolarHBondContact N-O 2.75Å; N226-T230 PolarHBondContact OD1-N 3.41Å; T230-L232 HydrophobicContact CG2-CD2 4.18Å; T230-L232 HydrophobicContact CG2-CG 4.2Å; T230-L591 WeakPolarHBondContact CB-O 3.37Å; T230-L591 VanDerWaalsContact CG2-O 3.31Å; T230-L591 WeakPolarHBondContact CG2-O 3.43Å; T230-L591 PolarHBondContact OG1-O 3.22Å; T230-L591 PolarHBondContact OG1-OXT 3.42Å
231D95.1Very high94.5Very high94 Ų9438.3 Ų38.350%0.50320%0.198SC..EExtended strand (participates in β ladder)trans-74.9125.1174.9-70.6-44.9000109.8R225 G229 P246R225-D231 WeakPolarHBondContact CD-OD1 3.33Å; R225-D231 WeakPolarHBondContact CG-OD1 3.46Å; R225-D231 IonicContact CZ-OD1 2.75Å; R225-D231 IonicContact NE-OD1 3.97Å; R225-D231 IonicContact NH1-OD1 3.62Å; R225-D231 PolarHBondContact NH1-OD1 3.03Å; G229-D231 PolarHBondContact O-N 3.4Å; D231-P246 WeakPolarHBondContact O-CG 3.35Å
232L95.8Very high94.5Very high7 Ų736.3 Ų36.34%0.03719%0.19CC..EExtended strand (participates in β ladder)trans-138.4168.1-175.6-65170.5000110I224 N226 T230 I243 F588 L591I224-L232 HydrophobicContact CD1-CB 4.41Å; I224-L232 HydrophobicContact CG1-CB 4.05Å; I224-L232 WeakPolarHBondContact CG1-O 3.28Å; I224-L232 PolarHBondContact N-O 2.86Å; I224-L232 PolarHBondContact O-N 3.07Å; I224-L232 VanDerWaalsContact O-O 3.06Å; N226-L232 HydrophobicContact CB-CD1 4.33Å; T230-L232 HydrophobicContact CG2-CD2 4.18Å; T230-L232 HydrophobicContact CG2-CG 4.2Å; L232-I243 HydrophobicContact CB-CG2 4.28Å; L232-I243 HydrophobicContact CD1-CG2 4.02Å; L232-I243 HydrophobicContact CD2-CG2 4.47Å; L232-F588 HydrophobicContact CD1-CD2 4.04Å; L232-F588 HydrophobicContact CD1-CE2 3.55Å; L232-F588 HydrophobicContact CD1-CZ 4.41Å; L232-L591 HydrophobicContact CD1-CB 4.36Å; L232-L591 HydrophobicContact CD1-CD1 4.19Å; L232-L591 HydrophobicContact CD2-CD1 4.29Å
233L96.5Very high94.6Very high13 Ų1335.1 Ų35.17%0.06819%0.185CC..EExtended strand (participates in β ladder)trans-113.4128.2172.7-74.6175.5000110.5F222 I243 Y244 K249F222-L233 CarbonylContact O-C 3.56Å; F222-L233 WeakPolarHBondContact O-CA 3.19Å; L233-I243 WeakPolarHBondContact O-CA 3.19Å; L233-Y244 PolarHBondContact N-O 3.39Å; L233-Y244 PolarHBondContact O-N 3.17Å; L233-K249 HydrophobicContact CD1-CD 4.35Å; L233-K249 HydrophobicContact CD1-CG 3.83Å
234L96.6Very high94.7Very high1 Ų131.4 Ų31.41%0.00516%0.158CC..EExtended strand (participates in β ladder)trans-91.5119.8167.9177.871.8000109.1Y221 F222 I224 V236 L241 H242 I243 F285 I296Y221-L234 CarbonylContact C-O 3.6Å; Y221-L234 WeakPolarHBondContact CA-O 3.25Å; F222-L234 HydrophobicContact CB-CB 4.4Å; F222-L234 PolarHBondContact N-O 2.84Å; F222-L234 PolarHBondContact O-N 3.09Å; I224-L234 HydrophobicContact CD1-CB 3.93Å; I224-L234 HydrophobicContact CG1-CB 4.13Å; I224-L234 HydrophobicContact CG2-CB 3.9Å; L234-V236 HydrophobicContact CD2-CG2 4.06Å; L234-V236 HydrophobicContact CG-CG2 4.11Å; L234-L241 HydrophobicContact CD1-CB 4.32Å; L234-L241 HydrophobicContact CD1-CD2 4.46Å; L234-H242 CarbonylContact C-O 3.53Å; L234-H242 WeakPolarHBondContact CA-O 3.27Å; L234-I243 HydrophobicContact CD1-CD1 3.74Å; L234-F285 HydrophobicContact CD2-CE1 4.15Å; L234-F285 HydrophobicContact CD2-CE2 4.2Å; L234-F285 HydrophobicContact CD2-CZ 3.57Å; L234-I296 HydrophobicContact CD2-CD1 4.22Å; L234-I296 HydrophobicContact CD2-CG2 3.83Å
235G97.4Very high94.7Very high0 Ų034.3 Ų34.30%017%0.172CC..EExtended strand (participates in β ladder)trans-94.1134.4164.700000111.3N220 L241 H242N220-G235 CarbonylContact O-C 3.55Å; N220-G235 WeakPolarHBondContact O-CA 3.34Å; G235-L241 WeakPolarHBondContact O-CA 3.07Å; G235-H242 PolarHBondContact N-O 3Å; G235-H242 PolarHBondContact O-N 3.22Å
236V97.5Very high94.7Very high0 Ų031.3 Ų31.30%017%0.167CC..EExtended strand (participates in β ladder)trans-121.3121.1173.3-172.80000108.8N220 F222 L234 L241 W258 L299N220-V236 PolarHBondContact N-O 3.21Å; N220-V236 PolarHBondContact ND2-O 2.97Å; N220-V236 PolarHBondContact O-N 3Å; F222-V236 HydrophobicContact CD2-CG2 4.18Å; F222-V236 HydrophobicContact CE2-CG2 4.07Å; L234-V236 HydrophobicContact CD2-CG2 4.06Å; L234-V236 HydrophobicContact CG-CG2 4.11Å; V236-L241 HydrophobicContact CB-CD2 4.23Å; V236-L241 HydrophobicContact CG1-CD2 3.97Å; V236-L241 HydrophobicContact CG2-CD2 3.77Å; V236-W258 HydrophobicContact CG1-CH2 4.18Å; V236-W258 HydrophobicContact CG1-CZ2 4.05Å; V236-L299 HydrophobicContact CG1-CB 4.21Å
237D96.9Very high94.8Very high9 Ų937.8 Ų37.85%0.04820%0.197CC..  trans-139.2-169.8-179.677.11.4000112.5V219 L239 G240 H242 W258 N303V219-D237 HydrophobicContact CG2-CB 4.21Å; D237-L239 VanDerWaalsContact C-N 3.28Å; D237-L239 PolarHBondContact O-N 2.82Å; D237-L239 WeakPolarHBondContact OD1-CA 3.41Å; D237-L239 WeakPolarHBondContact OD1-CB 3.5Å; D237-L239 PolarHBondContact OD1-N 2.66Å; D237-G240 PolarHBondContact N-O 3.04Å; D237-G240 PolarHBondContact OD1-N 3.34Å; D237-H242 IonicContact OD1-CD2 3.98Å; D237-H242 IonicContact OD1-NE2 2.95Å; D237-H242 PolarHBondContact OD1-NE2 3.32Å; D237-H242 VanDerWaalsContact OD1-NE2 3.13Å; D237-H242 IonicContact OD2-CD2 3.74Å; D237-H242 IonicContact OD2-NE2 3.74Å; D237-H242 PolarHBondContact OD2-NE2 2.79Å; D237-W258 PolarHBondContact O-NE1 3.28Å; D237-W258 VanDerWaalsContact O-NE1 3.09Å; D237-N303 WeakPolarHBondContact O-CB 3.16Å; D237-N303 VanDerWaalsContact O-CG 3.29Å; D237-N303 PolarHBondContact O-OD1 3.31Å
238A96.1Very high95.1Very high7 Ų733.2 Ų33.26%0.05818%0.178CC..SBendtrans-69.1-21.5179.900000113.9Y101 E103 W258Y101-A238 WeakPolarHBondContact O-CB 3.44Å; E103-A238 HydrophobicContact CG-CB 4.09Å; A238-W258 VanDerWaalsContact O-CD1 3.25Å; A238-W258 PolarHBondContact O-NE1 3.44Å
239L94.6Very high95.4Very high53 Ų5330.5 Ų30.528%0.27717%0.167SC..SBendtrans-94.4-36-175.6-61.7176.1000112.3E103 D237 W258 F573E103-L239 HydrophobicContact CG-CD2 3.99Å; D237-L239 VanDerWaalsContact C-N 3.28Å; D237-L239 PolarHBondContact O-N 2.82Å; D237-L239 WeakPolarHBondContact OD1-CA 3.41Å; D237-L239 WeakPolarHBondContact OD1-CB 3.5Å; D237-L239 PolarHBondContact OD1-N 2.66Å; L239-W258 PolarHBondContact O-N 3.25Å; L239-F573 HydrophobicContact CB-CE2 4.25Å; L239-F573 HydrophobicContact CB-CZ 4.04Å
240G95.3Very high95.6Very high0 Ų028.7 Ų28.70%015%0.148CC..EExtended strand (participates in β ladder)trans172.7-148-18000000115.4D237 F256D237-G240 PolarHBondContact N-O 3.04Å; D237-G240 PolarHBondContact OD1-N 3.34Å; G240-F256 WeakPolarHBondContact CA-O 3.31Å
241L96.4Very high95.6Very high0 Ų027.5 Ų27.50%014%0.141CC..EExtended strand (participates in β ladder)trans-114.5135.7175.9-59.8177.9000109.8L234 G235 V236 S255 F256 W258 I261 I273L234-L241 HydrophobicContact CD1-CB 4.32Å; L234-L241 HydrophobicContact CD1-CD2 4.46Å; G235-L241 WeakPolarHBondContact O-CA 3.07Å; V236-L241 HydrophobicContact CB-CD2 4.23Å; V236-L241 HydrophobicContact CG1-CD2 3.97Å; V236-L241 HydrophobicContact CG2-CD2 3.77Å; L241-S255 CarbonylContact O-C 3.51Å; L241-S255 VanDerWaalsContact O-CA 3.29Å; L241-S255 WeakPolarHBondContact O-CA 3.36Å; L241-F256 HydrophobicContact CB-CB 4.32Å; L241-F256 PolarHBondContact N-O 2.98Å; L241-F256 PolarHBondContact O-N 3.04Å; L241-W258 HydrophobicContact CD1-CH2 4.45Å; L241-W258 HydrophobicContact CD1-CZ3 4.28Å; L241-W258 HydrophobicContact CD2-CH2 3.48Å; L241-W258 VanDerWaalsContact CD2-CH2 3.48Å; L241-W258 HydrophobicContact CD2-CZ2 4.16Å; L241-W258 HydrophobicContact CD2-CZ3 4.12Å; L241-W258 HydrophobicContact CG-CH2 3.78Å; L241-W258 HydrophobicContact CG-CZ2 4.49Å; L241-W258 HydrophobicContact CG-CZ3 3.94Å; L241-I261 HydrophobicContact CD1-CD1 3.64Å; L241-I261 HydrophobicContact CG-CD1 3.97Å; L241-I273 HydrophobicContact CD1-CD1 3.28Å; L241-I273 HydrophobicContact CD1-CG1 4.21Å
242H96.4Very high95.6Very high7 Ų723.8 Ų23.83%0.03212%0.122CC..EExtended strand (participates in β ladder)trans-130.5143-172.8-55.3-88.6000109.9L234 G235 D237 Y244 P252 C254 S255 F573L234-H242 CarbonylContact C-O 3.53Å; L234-H242 WeakPolarHBondContact CA-O 3.27Å; G235-H242 PolarHBondContact N-O 3Å; G235-H242 PolarHBondContact O-N 3.22Å; D237-H242 IonicContact OD1-CD2 3.98Å; D237-H242 IonicContact OD1-NE2 2.95Å; D237-H242 PolarHBondContact OD1-NE2 3.32Å; D237-H242 VanDerWaalsContact OD1-NE2 3.13Å; D237-H242 IonicContact OD2-CD2 3.74Å; D237-H242 IonicContact OD2-NE2 3.74Å; D237-H242 PolarHBondContact OD2-NE2 2.79Å; H242-Y244 HydrophobicContact CB-CD2 4.25Å; H242-Y244 HydrophobicContact CB-CE2 3.37Å; H242-P252 HydrophobicContact CB-CB 4.09Å; H242-C254 CarbonylContact C-O 3.6Å; H242-C254 WeakPolarHBondContact CA-O 3.49Å; H242-S255 WeakPolarHBondContact ND1-CB 3.49Å; H242-S255 PolarHBondContact ND1-OG 3.12Å; H242-F573 AromaticContact CE1-CD2 3.54Å; H242-F573 AromaticContact CE1-CE2 3.55Å
243I96.2Very high95.5Very high0 Ų026.9 Ų26.90%014%0.135CC..EExtended strand (participates in β ladder)trans-114.2128.4178.1-51.9-61000108.9I224 L232 L233 L234 P252 K253 C254 F256 F283 F588 L591I224-I243 HydrophobicContact CD1-CD1 4.05Å; L232-I243 HydrophobicContact CB-CG2 4.28Å; L232-I243 HydrophobicContact CD1-CG2 4.02Å; L232-I243 HydrophobicContact CD2-CG2 4.47Å; L233-I243 WeakPolarHBondContact O-CA 3.19Å; L234-I243 HydrophobicContact CD1-CD1 3.74Å; I243-P252 CarbonylContact O-C 3.57Å; I243-P252 WeakPolarHBondContact O-CA 3.48Å; I243-K253 PolarHBondContact O-N 3.17Å; I243-C254 HydrophobicContact CB-CB 4.16Å; I243-C254 HydrophobicContact CG1-CB 4.31Å; I243-C254 PolarHBondContact N-O 3.34Å; I243-C254 PolarHBondContact O-N 3.12Å; I243-F256 HydrophobicContact CG1-CE2 4.32Å; I243-F283 HydrophobicContact CD1-CE2 4.49Å; I243-F283 HydrophobicContact CD1-CZ 3.68Å; I243-F283 HydrophobicContact CG1-CZ 4.15Å; I243-F588 HydrophobicContact CB-CD2 4.49Å; I243-F588 HydrophobicContact CD1-CD2 4.32Å; I243-F588 HydrophobicContact CD1-CE2 4.1Å; I243-F588 HydrophobicContact CG1-CD2 3.97Å; I243-F588 HydrophobicContact CG1-CE2 4.25Å; I243-F588 HydrophobicContact CG2-CD2 3.96Å; I243-F588 HydrophobicContact CG2-CE2 4.09Å; I243-L591 HydrophobicContact CG2-CD1 4.39Å
244Y96.6Very high95.3Very high6 Ų626.3 Ų26.32%0.02413%0.132CC..EExtended strand (participates in β ladder)trans-124.1154.1-177.9-57.5-99.3000110.3V219 Y221 L233 H242 N248 K249 P252V219-Y244 HydrophobicContact CG1-CE2 4.48Å; Y221-Y244 HydrophobicContact CD1-CD2 4.28Å; Y221-Y244 HydrophobicContact CD1-CE2 4.37Å; Y221-Y244 HydrophobicContact CE1-CD1 4.46Å; Y221-Y244 AromaticContact CE1-CD2 3.95Å; Y221-Y244 HydrophobicContact CE1-CD2 3.95Å; Y221-Y244 HydrophobicContact CE1-CE1 4.31Å; Y221-Y244 AromaticContact CE1-CE2 3.79Å; Y221-Y244 HydrophobicContact CE1-CE2 3.79Å; Y221-Y244 HydrophobicContact CE1-CG 4.29Å; L233-Y244 PolarHBondContact N-O 3.39Å; L233-Y244 PolarHBondContact O-N 3.17Å; H242-Y244 HydrophobicContact CB-CD2 4.25Å; H242-Y244 HydrophobicContact CB-CE2 3.37Å; Y244-N248 WeakPolarHBondContact CB-O 3.42Å; Y244-N248 WeakPolarHBondContact CD1-O 3.49Å; Y244-K249 VanDerWaalsContact CE1-O 3.25Å; Y244-K249 WeakPolarHBondContact CE1-O 3.35Å; Y244-P252 HydrophobicContact CD1-CB 4.01Å; Y244-P252 HydrophobicContact CE1-CB 3.63Å; Y244-P252 HydrophobicContact CE1-CG 4.03Å; Y244-P252 HydrophobicContact CE2-CB 4.33Å
245E94.9Very high95.2Very high64 Ų6426.2 Ų26.230%0.29913%0.131SC..BIsolated β-bridgetrans-74.6145.2162-75.8165.2-17400108.8E247 N248 K253E245-E247 PolarHBondContact O-N 3Å; E245-E247 VanDerWaalsContact O-N 3.12Å; E245-N248 CarbonylContact O-C 3.48Å; E245-N248 PolarHBondContact O-N 3.24Å; E245-K253 HydrophobicContact CG-CG 4.25Å; E245-K253 VanDerWaalsContact OE1-CE 3.23Å; E245-K253 WeakPolarHBondContact OE1-CE 3.46Å; E245-K253 IonicContact OE1-NZ 2.79Å; E245-K253 PolarHBondContact OE1-NZ 3.48Å; E245-K253 WeakPolarHBondContact OE2-CE 3.31Å; E245-K253 IonicContact OE2-NZ 3.65Å; E245-K253 PolarHBondContact OE2-NZ 3.28Å
246P94Very high95Very high52 Ų5226.7 Ų26.734%0.33813%0.133SC..THydrogen-bonded Turntrans-54.1-32.8-178.3-2735.7000114.5D231D231-P246 WeakPolarHBondContact O-CG 3.35Å
247E93.1Very high94.9Very high139 Ų13927.2 Ų27.265%0.6514%0.137SC*.THydrogen-bonded Turntrans-84.3-15.5-178.2-58.271.2-152.700113.3E245E245-E247 PolarHBondContact O-N 3Å; E245-E247 VanDerWaalsContact O-N 3.12Å
248N94.6Very high94.8Very high22 Ų2226.8 Ų26.812%0.11813%0.134CC..BIsolated β-bridgetrans-12891.1-177.4-173.8-11.3000111.6Y244 E245 L250 T251 I558Y244-N248 WeakPolarHBondContact CB-O 3.42Å; Y244-N248 WeakPolarHBondContact CD1-O 3.49Å; E245-N248 CarbonylContact O-C 3.48Å; E245-N248 PolarHBondContact O-N 3.24Å; N248-L250 PolarHBondContact OD1-N 3.21Å; N248-L250 VanDerWaalsContact OD1-N 3.1Å; N248-T251 PolarHBondContact OD1-N 3.06Å; N248-I558 HydrophobicContact CB-CD1 3.91Å
249K95.4Very high94.6Very high78 Ų7831.2 Ų31.234%0.33916%0.157SC..SBendtrans-83.7-9.5176.2-66.6-176.3-177175.40114.3M216 Y221 L233 Y244M216-K249 HydrophobicContact CE-CB 4.09Å; M216-K249 HydrophobicContact CE-CD 3.86Å; M216-K249 HydrophobicContact SD-CB 4.27Å; Y221-K249 HydrophobicContact CD1-CG 4.42Å; Y221-K249 HydrophobicContact CE1-CB 3.98Å; Y221-K249 HydrophobicContact CE1-CG 4.21Å; Y221-K249 PolarHBondContact OH-O 2.75Å; L233-K249 HydrophobicContact CD1-CD 4.35Å; L233-K249 HydrophobicContact CD1-CG 3.83Å; Y244-K249 VanDerWaalsContact CE1-O 3.25Å; Y244-K249 WeakPolarHBondContact CE1-O 3.35Å
250L94.7Very high94.6Very high2 Ų230.4 Ų30.41%0.0115%0.152CC..SBendtrans-85.2-47.7-177.1-52.7-175.2000110.8H132 D215 M216 N248 P252 L555 I558 H559H132-L250 HydrophobicContact CB-CD2 3.9Å; D215-L250 HydrophobicContact CB-CB 4.08Å; D215-L250 HydrophobicContact CB-CD2 4.13Å; M216-L250 HydrophobicContact CG-CD2 3.65Å; M216-L250 HydrophobicContact SD-CD2 3.81Å; N248-L250 PolarHBondContact OD1-N 3.21Å; N248-L250 VanDerWaalsContact OD1-N 3.1Å; L250-P252 WeakPolarHBondContact O-CD 3.43Å; L250-L555 HydrophobicContact CD1-CB 4.36Å; L250-L555 HydrophobicContact CD1-CD2 4.49Å; L250-L555 WeakPolarHBondContact CD1-O 3.46Å; L250-L555 HydrophobicContact CD2-CD2 4.45Å; L250-L555 HydrophobicContact CG-CD2 4.06Å; L250-I558 HydrophobicContact CB-CG2 4.26Å; L250-I558 HydrophobicContact CD1-CB 4.3Å; L250-I558 HydrophobicContact CD1-CG2 4.08Å; L250-I558 HydrophobicContact CG-CG2 4.49Å; L250-H559 HydrophobicContact CD1-CB 3.8Å
251T94.5Very high94.4Very high24 Ų2430.9 Ų30.915%0.14715%0.154CC..SBendtrans-106.6108-172.6-45.90000111N248 N562N248-T251 PolarHBondContact OD1-N 3.06Å; T251-N562 PolarHBondContact OG1-ND2 2.88Å; T251-N562 PolarHBondContact OG1-OD1 3.3Å
252P95.1Very high94.1Very high16 Ų1636.1 Ų36.110%0.10417%0.174CC..  trans-67.6144.1174.324.8-28.5000111.1H242 I243 Y244 L250 L576H242-P252 HydrophobicContact CB-CB 4.09Å; I243-P252 CarbonylContact O-C 3.57Å; I243-P252 WeakPolarHBondContact O-CA 3.48Å; Y244-P252 HydrophobicContact CD1-CB 4.01Å; Y244-P252 HydrophobicContact CE1-CB 3.63Å; Y244-P252 HydrophobicContact CE1-CG 4.03Å; Y244-P252 HydrophobicContact CE2-CB 4.33Å; L250-P252 WeakPolarHBondContact O-CD 3.43Å; P252-L576 HydrophobicContact CB-CD1 4.07Å; P252-L576 HydrophobicContact CG-CD1 3.73Å; P252-L576 WeakPolarHBondContact O-CD1 3.46Å
253K93.1Very high93.9Very high71 Ų7139.4 Ų39.431%0.30919%0.192SC..SBendtrans-84.9-29.4173-61.3-71.7168.2132.50112.1I243 E245 L576 F587I243-K253 PolarHBondContact O-N 3.17Å; E245-K253 HydrophobicContact CG-CG 4.25Å; E245-K253 VanDerWaalsContact OE1-CE 3.23Å; E245-K253 WeakPolarHBondContact OE1-CE 3.46Å; E245-K253 IonicContact OE1-NZ 2.79Å; E245-K253 PolarHBondContact OE1-NZ 3.48Å; E245-K253 WeakPolarHBondContact OE2-CE 3.31Å; E245-K253 IonicContact OE2-NZ 3.65Å; E245-K253 PolarHBondContact OE2-NZ 3.28Å; K253-L576 WeakPolarHBondContact O-CD2 3.48Å; K253-F587 HydrophobicContact CB-CE1 4.05Å
254C92Very high93.8Very high1 Ų140.6 Ų40.61%0.00720%0.198CC..EExtended strand (participates in β ladder)trans-146.6149.9179.8-170.70000109.9H242 I243 F256 R584 F587H242-C254 CarbonylContact C-O 3.6Å; H242-C254 WeakPolarHBondContact CA-O 3.49Å; I243-C254 HydrophobicContact CB-CB 4.16Å; I243-C254 HydrophobicContact CG1-CB 4.31Å; I243-C254 PolarHBondContact N-O 3.34Å; I243-C254 PolarHBondContact O-N 3.12Å; C254-F256 VanDerWaalsContact SG-CE2 3.55Å; C254-F256 WeakPolarHBondContact SG-CZ 3.49Å; C254-R584 VanDerWaalsContact SG-CB 3.57Å; C254-F587 HydrophobicContact CB-CD1 4.34Å
255S94.8Very high93.6Very high0 Ų042.3 Ų42.30%021%0.211CC..EExtended strand (participates in β ladder)trans-144.3139.6179.6-610000110.9L241 H242 L576 R584L241-S255 CarbonylContact O-C 3.51Å; L241-S255 VanDerWaalsContact O-CA 3.29Å; L241-S255 WeakPolarHBondContact O-CA 3.36Å; H242-S255 WeakPolarHBondContact ND1-CB 3.49Å; H242-S255 PolarHBondContact ND1-OG 3.12Å; S255-L576 WeakPolarHBondContact OG-CD1 3.46Å; S255-R584 VanDerWaalsContact O-CD 3.26Å; S255-R584 WeakPolarHBondContact O-CD 3.37Å; S255-R584 PolarHBondContact O-NH1 3Å
256F93.8Very high93.5Very high10 Ų1042.4 Ų42.44%0.04421%0.209CC..EExtended strand (participates in β ladder)trans-125.598.3-179.1-58.4-81.7000109.1G240 L241 I243 C254 I261 F283 T581 R584 V585G240-F256 WeakPolarHBondContact CA-O 3.31Å; L241-F256 HydrophobicContact CB-CB 4.32Å; L241-F256 PolarHBondContact N-O 2.98Å; L241-F256 PolarHBondContact O-N 3.04Å; I243-F256 HydrophobicContact CG1-CE2 4.32Å; C254-F256 VanDerWaalsContact SG-CE2 3.55Å; C254-F256 WeakPolarHBondContact SG-CZ 3.49Å; F256-I261 HydrophobicContact CB-CD1 4.38Å; F256-F283 AromaticContact CE2-CD2 3.91Å; F256-F283 HydrophobicContact CE2-CD2 3.91Å; F256-F283 AromaticContact CE2-CE2 3.54Å; F256-F283 HydrophobicContact CE2-CE2 3.54Å; F256-F283 HydrophobicContact CE2-CZ 4.06Å; F256-F283 AromaticContact CZ-CD2 3.78Å; F256-F283 HydrophobicContact CZ-CD2 3.78Å; F256-F283 AromaticContact CZ-CE2 3.81Å; F256-F283 HydrophobicContact CZ-CE2 3.81Å; F256-T581 HydrophobicContact CD1-CG2 4.25Å; F256-T581 HydrophobicContact CE1-CG2 4.4Å; F256-R584 HydrophobicContact CE1-CB 3.8Å; F256-R584 HydrophobicContact CZ-CB 4.14Å; F256-V585 HydrophobicContact CE1-CG2 3.76Å; F256-V585 HydrophobicContact CZ-CG2 4.17Å
257P94.8Very high93.3Very high10 Ų1043.8 Ų43.87%0.06522%0.22CC..EExtended strand (participates in β ladder)trans-58.5149.5176.5-28.538.3000113.1N259 E260 F573 T577P257-N259 VanDerWaalsContact C-N 3.27Å; P257-N259 WeakPolarHBondContact CB-OD1 3.47Å; P257-N259 PolarHBondContact O-N 2.98Å; P257-E260 HydrophobicContact CB-CG 4.47Å; P257-E260 WeakPolarHBondContact O-CB 3.24Å; P257-E260 PolarHBondContact O-N 3.39Å; P257-F573 HydrophobicContact CB-CZ 4.24Å; P257-F573 HydrophobicContact CG-CE2 4.26Å; P257-F573 HydrophobicContact CG-CZ 3.83Å; P257-T577 HydrophobicContact CG-CG2 3.31Å
258W95Very high92.9Very high0 Ų042.9 Ų42.90%022%0.219CC..G310 helixtrans-60.7-29.7-179-70.4124.7000114.5V236 D237 A238 L239 L241 E260 I261 I264 C300 N303 H304 F307V236-W258 HydrophobicContact CG1-CH2 4.18Å; V236-W258 HydrophobicContact CG1-CZ2 4.05Å; D237-W258 PolarHBondContact O-NE1 3.28Å; D237-W258 VanDerWaalsContact O-NE1 3.09Å; A238-W258 VanDerWaalsContact O-CD1 3.25Å; A238-W258 PolarHBondContact O-NE1 3.44Å; L239-W258 PolarHBondContact O-N 3.25Å; L241-W258 HydrophobicContact CD1-CH2 4.45Å; L241-W258 HydrophobicContact CD1-CZ3 4.28Å; L241-W258 HydrophobicContact CD2-CH2 3.48Å; L241-W258 VanDerWaalsContact CD2-CH2 3.48Å; L241-W258 HydrophobicContact CD2-CZ2 4.16Å; L241-W258 HydrophobicContact CD2-CZ3 4.12Å; L241-W258 HydrophobicContact CG-CH2 3.78Å; L241-W258 HydrophobicContact CG-CZ2 4.49Å; L241-W258 HydrophobicContact CG-CZ3 3.94Å; W258-E260 PolarHBondContact O-N 3.48Å; W258-I261 HydrophobicContact CE3-CD1 3.63Å; W258-I261 HydrophobicContact CZ3-CD1 3.76Å; W258-I261 PolarHBondContact O-N 2.94Å; W258-I264 HydrophobicContact CZ3-CD1 3.84Å; W258-C300 HydrophobicContact CH2-CB 3.8Å; W258-C300 HydrophobicContact CZ3-CB 4.17Å; W258-N303 HydrophobicContact CZ2-CB 3.65Å; W258-H304 HydrophobicContact CD2-CB 4.27Å; W258-H304 HydrophobicContact CE3-CB 4Å; W258-H304 AromaticContact CE3-ND1 3.86Å; W258-H304 HydrophobicContact CZ3-CB 4.42Å; W258-H304 PolarHBondContact O-CE1 2.93Å; W258-F307 HydrophobicContact CB-CB 4.1Å; W258-F307 HydrophobicContact CB-CD1 3.5Å; W258-F307 VanDerWaalsContact CB-CD1 3.5Å; W258-F307 HydrophobicContact CB-CD2 3.58Å; W258-F307 HydrophobicContact CB-CE1 3.72Å; W258-F307 HydrophobicContact CB-CE2 3.74Å; W258-F307 HydrophobicContact CB-CG 3.44Å; W258-F307 VanDerWaalsContact CB-CG 3.44Å; W258-F307 HydrophobicContact CB-CZ 3.84Å; W258-F307 AromaticContact CD1-CD2 3.7Å; W258-F307 AromaticContact CD1-CG 3.87Å; W258-F307 HydrophobicContact CG-CB 4.13Å; W258-F307 HydrophobicContact CG-CD1 4.42Å; W258-F307 HydrophobicContact CG-CD2 4.03Å; W258-F307 AromaticContact CG-CG 3.95Å; W258-F307 HydrophobicContact CG-CG 3.95Å
259N92.1Very high92.5Very high101 Ų10148 Ų4854%0.5424%0.241SC..G310 helixtrans-68.6-13175.359.3-28.4000113.8P257 F307P257-N259 VanDerWaalsContact C-N 3.27Å; P257-N259 WeakPolarHBondContact CB-OD1 3.47Å; P257-N259 PolarHBondContact O-N 2.98Å; N259-F307 HydrophobicContact CB-CE1 4.04Å; N259-F307 HydrophobicContact CB-CZ 3.76Å
260E92.9Very high92.2Very high36 Ų3647.6 Ų47.617%0.16824%0.24CC..G310 helixtrans-96-3.9177.3-62.7-178.2-174.400113.2P257 W258 P275 L276 T581 R584P257-E260 HydrophobicContact CB-CG 4.47Å; P257-E260 WeakPolarHBondContact O-CB 3.24Å; P257-E260 PolarHBondContact O-N 3.39Å; W258-E260 PolarHBondContact O-N 3.48Å; E260-P275 CarbonylContact O-C 3.54Å; E260-P275 WeakPolarHBondContact O-CA 3.36Å; E260-L276 PolarHBondContact O-N 2.98Å; E260-T581 PolarHBondContact OE2-OG1 2.8Å; E260-R584 IonicContact OE1-CZ 3.66Å; E260-R584 IonicContact OE1-NH1 2.8Å; E260-R584 IonicContact OE1-NH2 2.7Å; E260-R584 PolarHBondContact OE1-NH2 3.32Å; E260-R584 IonicContact OE2-CZ 2.91Å; E260-R584 IonicContact OE2-NH1 3.39Å; E260-R584 PolarHBondContact OE2-NH1 2.93Å; E260-R584 IonicContact OE2-NH2 3.52Å; E260-R584 PolarHBondContact OE2-NH2 2.98Å
261I92.2Very high92.1Very high10 Ų1047.5 Ų47.55%0.05124%0.239CC..EExtended strand (participates in β ladder)trans-104.6125.9-173.7-61.9168000109.8L241 F256 W258 I264 I273L241-I261 HydrophobicContact CD1-CD1 3.64Å; L241-I261 HydrophobicContact CG-CD1 3.97Å; F256-I261 HydrophobicContact CB-CD1 4.38Å; W258-I261 HydrophobicContact CE3-CD1 3.63Å; W258-I261 HydrophobicContact CZ3-CD1 3.76Å; W258-I261 PolarHBondContact O-N 2.94Å; I261-I264 HydrophobicContact CG2-CD1 3.89Å; I261-I264 HydrophobicContact CG2-CG1 3.64Å; I261-I273 HydrophobicContact CD1-CG2 4.42Å; I261-I273 HydrophobicContact CG1-CG2 4.14Å; I261-I273 HydrophobicContact CG2-CG2 3.88Å
262R90.6Very high92Very high110 Ų11047 Ų4742%0.41524%0.237SC..EExtended strand (participates in β ladder)trans-92.7-45.2178.5-168.9174.368.7-129.82.5113K274 P275 L276R262-K274 WeakPolarHBondContact CB-O 3.42Å; R262-K274 PolarHBondContact N-O 3.26Å; R262-P275 WeakPolarHBondContact CB-O 3.49Å; R262-P275 PolarHBondContact NH1-O 3.35Å; R262-L276 HydrophobicContact CB-CD1 4.34Å; R262-L276 HydrophobicContact CG-CD1 4.39Å
263N91.6Very high91.9Very high75 Ų7546.6 Ų46.640%0.40123%0.233SC..EExtended strand (participates in β ladder)trans-155.8142.5-172.2-178.178.3000110.7K274N263-K274 HydrophobicContact CB-CB 4.31Å; N263-K274 HydrophobicContact CB-CD 4.46Å; N263-K274 PolarHBondContact N-O 2.92Å; N263-K274 PolarHBondContact O-N 3.4Å
264I93.6Very high91.8Very high26 Ų2647 Ų4713%0.13324%0.235CC..EExtended strand (participates in β ladder)trans-126.6132.9179-55.2176.9000108.2W258 I261 F271 I273 L297 C300W258-I264 HydrophobicContact CZ3-CD1 3.84Å; I261-I264 HydrophobicContact CG2-CD1 3.89Å; I261-I264 HydrophobicContact CG2-CG1 3.64Å; I264-F271 HydrophobicContact CG2-CD1 4.24Å; I264-F271 HydrophobicContact CG2-CE1 3.15Å; I264-F271 HydrophobicContact CG2-CE2 4.43Å; I264-F271 HydrophobicContact CG2-CZ 3.25Å; I264-I273 HydrophobicContact CG1-CG1 4.28Å; I264-I273 HydrophobicContact CG2-CG1 4.15Å; I264-L297 HydrophobicContact CB-CD1 4.16Å; I264-L297 HydrophobicContact CG2-CD1 3.78Å; I264-C300 HydrophobicContact CD1-CB 3.55Å
265S92.8Very high91.8Very high41 Ų4147.3 Ų47.329%0.28724%0.237SC..EExtended strand (participates in β ladder)trans-155.1159.4-178.1530000110.2T272S265-T272 PolarHBondContact N-O 2.91Å; S265-T272 WeakPolarHBondContact O-CA 3.24Å; S265-T272 PolarHBondContact O-N 2.75Å; S265-T272 VanDerWaalsContact O-O 3.06Å
266Y91.9Very high91.5Very high67 Ų6752.3 Ų52.326%0.26326%0.263SS..EExtended strand (participates in β ladder)trans-136.3153.2170.370.2-91.1000110.6E270 F271 L290 N293 K294 L297Y266-E270 CarbonylContact C-O 3.58Å; Y266-E270 WeakPolarHBondContact CA-O 3.39Å; Y266-E270 WeakPolarHBondContact CB-O 3.48Å; Y266-F271 HydrophobicContact CD1-CD2 4.41Å; Y266-F271 HydrophobicContact CD1-CE2 4.27Å; Y266-F271 HydrophobicContact CG-CD2 4.34Å; Y266-L290 HydrophobicContact CD2-CD1 4.22Å; Y266-L290 HydrophobicContact CE2-CD1 3.72Å; Y266-N293 HydrophobicContact CD1-CB 4.16Å; Y266-N293 HydrophobicContact CD2-CB 3.85Å; Y266-N293 HydrophobicContact CE2-CB 4.25Å; Y266-N293 HydrophobicContact CG-CB 3.83Å; Y266-K294 HydrophobicContact CE1-CG 4.36Å; Y266-K294 WeakPolarHBondContact OH-CE 3.47Å; Y266-K294 WeakPolarHBondContact OH-CG 3.23Å; Y266-L297 HydrophobicContact CD1-CB 4.14Å; Y266-L297 HydrophobicContact CD1-CD2 3.85Å; Y266-L297 HydrophobicContact CE1-CB 4.14Å; Y266-L297 HydrophobicContact CE1-CD2 3.56Å; Y266-L297 HydrophobicContact CE1-CG 4.47Å
267S89.9Confident91.3Very high80 Ų8055.5 Ų55.556%0.55928%0.281SS*.EExtended strand (participates in β ladder)trans-131.5118.1170.4-1700000107.9K269 E270S267-K269 PolarHBondContact O-N 2.93Å; S267-E270 PolarHBondContact N-O 2.85Å; S267-E270 PolarHBondContact O-N 2.76Å
268D85.6Confident90.9Very high120 Ų12063.9 Ų63.964%0.64232%0.316SS*.THydrogen-bonded Turntrans51.7-108.2-173-58.4-42.8000113L290 N293D268-L290 WeakPolarHBondContact O-CD1 3.35Å; D268-N293 PolarHBondContact O-ND2 3.2Å
269K85.4Confident90.5Very high131 Ų13172.6 Ų72.657%0.5735%0.354SS*.THydrogen-bonded Turntrans-94.2-21.4179.3-64.3-176.4-178.6178.70112.9S267 N286 S287 N293S267-K269 PolarHBondContact O-N 2.93Å; K269-N286 WeakPolarHBondContact O-CA 3.4Å; K269-N286 PolarHBondContact O-OD1 2.81Å; K269-S287 PolarHBondContact O-N 3.2Å; K269-N293 PolarHBondContact O-ND2 3.08Å; K269-N293 VanDerWaalsContact O-ND2 3.17Å
270E89.7Confident90.2Very high68 Ų6868.4 Ų68.432%0.31833%0.332SS..EExtended strand (participates in β ladder)trans-83.4120.7-177.3-171.7-17987.400110.6Y266 S267 K284 N286Y266-E270 CarbonylContact C-O 3.58Å; Y266-E270 WeakPolarHBondContact CA-O 3.39Å; Y266-E270 WeakPolarHBondContact CB-O 3.48Å; S267-E270 PolarHBondContact N-O 2.85Å; S267-E270 PolarHBondContact O-N 2.76Å; E270-K284 WeakPolarHBondContact OE1-CE 3.17Å; E270-K284 IonicContact OE1-NZ 2.67Å; E270-K284 PolarHBondContact OE1-NZ 3.01Å; E270-K284 IonicContact OE2-NZ 3.37Å; E270-K284 PolarHBondContact OE2-NZ 2.99Å; E270-N286 VanDerWaalsContact CA-OD1 3.27Å; E270-N286 WeakPolarHBondContact CA-OD1 3.5Å; E270-N286 PolarHBondContact N-OD1 2.97Å
271F93.1Very high89.9Confident0 Ų072.2 Ų72.20%035%0.353CS..EExtended strand (participates in β ladder)trans-101.1137.3172.9-157.1-84.1000109.3I264 Y266 I273 K284 F285 N293 I296 L297I264-F271 HydrophobicContact CG2-CD1 4.24Å; I264-F271 HydrophobicContact CG2-CE1 3.15Å; I264-F271 HydrophobicContact CG2-CE2 4.43Å; I264-F271 HydrophobicContact CG2-CZ 3.25Å; Y266-F271 HydrophobicContact CD1-CD2 4.41Å; Y266-F271 HydrophobicContact CD1-CE2 4.27Å; Y266-F271 HydrophobicContact CG-CD2 4.34Å; F271-I273 HydrophobicContact CD1-CD1 4.23Å; F271-I273 HydrophobicContact CD1-CG1 4.04Å; F271-I273 HydrophobicContact CE1-CD1 4.08Å; F271-I273 HydrophobicContact CE1-CG1 3.87Å; F271-K284 VanDerWaalsContact O-CA 3.3Å; F271-K284 WeakPolarHBondContact O-CA 3.45Å; F271-F285 HydrophobicContact CB-CD1 4.17Å; F271-F285 HydrophobicContact CB-CD2 3.85Å; F271-F285 HydrophobicContact CB-CE1 3.8Å; F271-F285 HydrophobicContact CB-CE2 3.43Å; F271-F285 VanDerWaalsContact CB-CE2 3.43Å; F271-F285 HydrophobicContact CB-CG 4.21Å; F271-F285 HydrophobicContact CB-CZ 3.41Å; F271-F285 VanDerWaalsContact CB-CZ 3.41Å; F271-F285 HydrophobicContact CD1-CD1 4.33Å; F271-F285 AromaticContact CD1-CE1 3.34Å; F271-F285 HydrophobicContact CD1-CE1 3.34Å; F271-F285 HydrophobicContact CD1-CE2 4.14Å; F271-F285 AromaticContact CD1-CZ 3.22Å; F271-F285 HydrophobicContact CD1-CZ 3.22Å; F271-F285 HydrophobicContact CD2-CE2 4.42Å; F271-F285 HydrophobicContact CD2-CZ 4.11Å; F271-F285 HydrophobicContact CE1-CE1 4.11Å; F271-F285 AromaticContact CE1-CZ 3.9Å; F271-F285 HydrophobicContact CE1-CZ 3.9Å; F271-F285 AromaticContact CG-CE1 3.83Å; F271-F285 HydrophobicContact CG-CE1 3.83Å; F271-F285 AromaticContact CG-CE2 3.78Å; F271-F285 HydrophobicContact CG-CE2 3.78Å; F271-F285 AromaticContact CG-CZ 3.32Å; F271-F285 HydrophobicContact CG-CZ 3.32Å; F271-F285 PolarHBondContact N-O 2.94Å; F271-F285 PolarHBondContact O-N 2.83Å; F271-N293 HydrophobicContact CD2-CB 4.3Å; F271-I296 HydrophobicContact CD2-CG2 4.43Å; F271-I296 HydrophobicContact CE1-CG2 4.18Å; F271-I296 HydrophobicContact CE2-CB 4.03Å; F271-I296 HydrophobicContact CE2-CG2 3.7Å; F271-I296 HydrophobicContact CZ-CB 4.34Å; F271-I296 HydrophobicContact CZ-CG2 3.54Å; F271-L297 HydrophobicContact CE2-CB 4.13Å; F271-L297 HydrophobicContact CZ-CB 4.39Å; F271-L297 HydrophobicContact CZ-CD1 4.45Å
272T92.3Very high89.7Confident15 Ų1574.3 Ų74.39%0.09237%0.367CS..EExtended strand (participates in β ladder)trans-131.6121.3-169.6-63.60000110S265 K274 V282 K284S265-T272 PolarHBondContact N-O 2.91Å; S265-T272 WeakPolarHBondContact O-CA 3.24Å; S265-T272 PolarHBondContact O-N 2.75Å; S265-T272 VanDerWaalsContact O-O 3.06Å; T272-K274 HydrophobicContact CG2-CG 4.38Å; T272-V282 HydrophobicContact CG2-CG1 3.25Å; T272-K284 HydrophobicContact CG2-CG 4.42Å
273I92.4Very high89.6Confident7 Ų769.2 Ų69.24%0.03635%0.348CS..EExtended strand (participates in β ladder)trans-115.4119175.5-63.9159000108.4L241 I261 I264 F271 P275 V282 F283 F285L241-I273 HydrophobicContact CD1-CD1 3.28Å; L241-I273 HydrophobicContact CD1-CG1 4.21Å; I261-I273 HydrophobicContact CD1-CG2 4.42Å; I261-I273 HydrophobicContact CG1-CG2 4.14Å; I261-I273 HydrophobicContact CG2-CG2 3.88Å; I264-I273 HydrophobicContact CG1-CG1 4.28Å; I264-I273 HydrophobicContact CG2-CG1 4.15Å; F271-I273 HydrophobicContact CD1-CD1 4.23Å; F271-I273 HydrophobicContact CD1-CG1 4.04Å; F271-I273 HydrophobicContact CE1-CD1 4.08Å; F271-I273 HydrophobicContact CE1-CG1 3.87Å; I273-P275 WeakPolarHBondContact O-CD 3.27Å; I273-V282 WeakPolarHBondContact O-CG1 3.48Å; I273-F283 HydrophobicContact CB-CB 4.19Å; I273-F283 HydrophobicContact CB-CD1 3.98Å; I273-F283 HydrophobicContact CD1-CD1 3.56Å; I273-F283 HydrophobicContact CD1-CE1 3.79Å; I273-F283 HydrophobicContact CG1-CD1 4.22Å; I273-F283 PolarHBondContact N-O 3.02Å; I273-F283 PolarHBondContact O-N 3.44Å; I273-F285 HydrophobicContact CD1-CE1 3.89Å
274K91.6Very high89.6Confident78 Ų7868.4 Ų68.434%0.33934%0.341SS..EExtended strand (participates in β ladder)trans-96.6118.4179.3-65.8-179.8-178.3174.10109R262 N263 T272 V282R262-K274 WeakPolarHBondContact CB-O 3.42Å; R262-K274 PolarHBondContact N-O 3.26Å; N263-K274 HydrophobicContact CB-CB 4.31Å; N263-K274 HydrophobicContact CB-CD 4.46Å; N263-K274 PolarHBondContact N-O 2.92Å; N263-K274 PolarHBondContact O-N 3.4Å; T272-K274 HydrophobicContact CG2-CG 4.38Å; K274-V282 HydrophobicContact CG-CG1 3.98Å; K274-V282 HydrophobicContact CG-CG2 4.31Å
275P91.1Very high89.6Confident8 Ų867.3 Ų67.35%0.05234%0.335CS..EExtended strand (participates in β ladder)trans-62.1159.4173.2-23.735.3000112.7E260 R262 I273 T280 T581E260-P275 CarbonylContact O-C 3.54Å; E260-P275 WeakPolarHBondContact O-CA 3.36Å; R262-P275 WeakPolarHBondContact CB-O 3.49Å; R262-P275 PolarHBondContact NH1-O 3.35Å; I273-P275 WeakPolarHBondContact O-CD 3.27Å; P275-T280 HydrophobicContact CB-CG2 4.24Å; P275-T280 HydrophobicContact CG-CG2 3.84Å; P275-T581 HydrophobicContact CB-CG2 4.15Å; P275-T581 HydrophobicContact CG-CG2 4.29Å
276L89.7Confident89.5Confident105 Ų10568.1 Ų68.155%0.5534%0.336SS..SBendtrans-61.6-47.3173.3-167.968.5000110.9E260 R262 K278E260-L276 PolarHBondContact O-N 2.98Å; R262-L276 HydrophobicContact CB-CD1 4.34Å; R262-L276 HydrophobicContact CG-CD1 4.39Å; L276-K278 PolarHBondContact O-N 3.38Å
277D88.8Confident89.3Confident78 Ų7865.2 Ų65.242%0.41733%0.326SS..SBendtrans-65.8114.6171.917526.3000111.1K279 T280D277-K279 PolarHBondContact O-N 2.9Å; D277-K279 WeakPolarHBondContact OD1-CB 3.21Å; D277-K279 PolarHBondContact OD1-N 2.9Å; D277-T280 PolarHBondContact O-N 3.07Å; D277-T280 PolarHBondContact OD2-N 3.33Å; D277-T280 PolarHBondContact OD2-OG1 3.31Å
278K87Confident88.8Confident185 Ų18564.7 Ų64.780%0.80432%0.322SS*.THydrogen-bonded Turntrans-65.9-19.3179.2-67.5179-178.8178.70113.3L276L276-K278 PolarHBondContact O-N 3.38Å
279K86.2Confident88.7Confident184 Ų18466.5 Ų66.580%0.832%0.32SS*.THydrogen-bonded Turntrans-83.2-15.8178-61.6-179.7-179.8178.10112.7D277D277-K279 PolarHBondContact O-N 2.9Å; D277-K279 WeakPolarHBondContact OD1-CB 3.21Å; D277-K279 PolarHBondContact OD1-N 2.9Å
280T86.1Confident88.6Confident12 Ų1264 Ų647%0.07431%0.312CS..SBendtrans-83138.8179.4-64.50000110.7P275 D277 T581 K582 V585P275-T280 HydrophobicContact CB-CG2 4.24Å; P275-T280 HydrophobicContact CG-CG2 3.84Å; D277-T280 PolarHBondContact O-N 3.07Å; D277-T280 PolarHBondContact OD2-N 3.33Å; D277-T280 PolarHBondContact OD2-OG1 3.31Å; T280-T581 HydrophobicContact CG2-CG2 4.18Å; T280-K582 HydrophobicContact CG2-CB 4.13Å; T280-V585 HydrophobicContact CG2-CG2 4.21Å
281N85.8Confident88.3Confident116 Ų11665.9 Ų65.962%0.6232%0.316SS*.PPolyproline II helixtrans-59.8150178.4-74.8-23.3000111.6V585N281-V585 HydrophobicContact CB-CG1 4.14Å
282V88.8Confident88Confident54 Ų5467.2 Ų67.233%0.32732%0.324SS..PPolyproline II helixtrans-74.7129.5177.9-173.90000109.5T272 I273 K274 K284T272-V282 HydrophobicContact CG2-CG1 3.25Å; I273-V282 WeakPolarHBondContact O-CG1 3.48Å; K274-V282 HydrophobicContact CG-CG1 3.98Å; K274-V282 HydrophobicContact CG-CG2 4.31Å; V282-K284 HydrophobicContact CG1-CG 4.25Å
283F88.1Confident87.9Confident4 Ų466.5 Ų66.52%0.01832%0.32CS..EExtended strand (participates in β ladder)trans-80124.1176.5177.7-92.6000109.5I243 F256 I273 F285 V585 F588I243-F283 HydrophobicContact CD1-CE2 4.49Å; I243-F283 HydrophobicContact CD1-CZ 3.68Å; I243-F283 HydrophobicContact CG1-CZ 4.15Å; F256-F283 AromaticContact CE2-CD2 3.91Å; F256-F283 HydrophobicContact CE2-CD2 3.91Å; F256-F283 AromaticContact CE2-CE2 3.54Å; F256-F283 HydrophobicContact CE2-CE2 3.54Å; F256-F283 HydrophobicContact CE2-CZ 4.06Å; F256-F283 AromaticContact CZ-CD2 3.78Å; F256-F283 HydrophobicContact CZ-CD2 3.78Å; F256-F283 AromaticContact CZ-CE2 3.81Å; F256-F283 HydrophobicContact CZ-CE2 3.81Å; I273-F283 HydrophobicContact CB-CB 4.19Å; I273-F283 HydrophobicContact CB-CD1 3.98Å; I273-F283 HydrophobicContact CD1-CD1 3.56Å; I273-F283 HydrophobicContact CD1-CE1 3.79Å; I273-F283 HydrophobicContact CG1-CD1 4.22Å; I273-F283 PolarHBondContact N-O 3.02Å; I273-F283 PolarHBondContact O-N 3.44Å; F283-F285 HydrophobicContact CD1-CD1 4.06Å; F283-F285 HydrophobicContact CD1-CE1 4.43Å; F283-F285 AromaticContact CE1-CD1 3.46Å; F283-F285 HydrophobicContact CE1-CD1 3.46Å; F283-F285 VanDerWaalsContact CE1-CD1 3.46Å; F283-F285 AromaticContact CE1-CE1 3.85Å; F283-F285 HydrophobicContact CE1-CE1 3.85Å; F283-F285 HydrophobicContact CZ-CD1 4.31Å; F283-V585 HydrophobicContact CB-CG2 4.32Å; F283-F588 HydrophobicContact CD2-CB 4.4Å; F283-F588 AromaticContact CD2-CD1 3.59Å; F283-F588 HydrophobicContact CD2-CD1 3.59Å; F283-F588 AromaticContact CD2-CE1 3.98Å; F283-F588 HydrophobicContact CD2-CE1 3.98Å; F283-F588 AromaticContact CD2-CG 3.99Å; F283-F588 HydrophobicContact CD2-CG 3.99Å; F283-F588 HydrophobicContact CE2-CB 3.83Å; F283-F588 AromaticContact CE2-CD1 3.14Å; F283-F588 HydrophobicContact CE2-CD1 3.14Å; F283-F588 AromaticContact CE2-CD2 3.59Å; F283-F588 HydrophobicContact CE2-CD2 3.59Å; F283-F588 AromaticContact CE2-CE1 3.46Å; F283-F588 HydrophobicContact CE2-CE1 3.46Å; F283-F588 VanDerWaalsContact CE2-CE1 3.46Å; F283-F588 AromaticContact CE2-CE2 3.86Å; F283-F588 HydrophobicContact CE2-CE2 3.86Å; F283-F588 AromaticContact CE2-CG 3.21Å; F283-F588 HydrophobicContact CE2-CG 3.21Å; F283-F588 AromaticContact CE2-CZ 3.79Å; F283-F588 HydrophobicContact CE2-CZ 3.79Å; F283-F588 AromaticContact CZ-CD1 3.91Å; F283-F588 HydrophobicContact CZ-CD1 3.91Å; F283-F588 AromaticContact CZ-CD2 3.91Å; F283-F588 HydrophobicContact CZ-CD2 3.91Å; F283-F588 AromaticContact CZ-CE1 3.75Å; F283-F588 HydrophobicContact CZ-CE1 3.75Å; F283-F588 AromaticContact CZ-CE2 3.74Å; F283-F588 HydrophobicContact CZ-CE2 3.74Å; F283-F588 AromaticContact CZ-CG 3.98Å; F283-F588 HydrophobicContact CZ-CG 3.98Å; F283-F588 AromaticContact CZ-CZ 3.65Å; F283-F588 HydrophobicContact CZ-CZ 3.65Å
284K91.9Very high87.7Confident58 Ų5870.7 Ų70.725%0.25234%0.338SS..EExtended strand (participates in β ladder)trans-133.4136.9-175.2-68.4-176.1166.6-1500111.8E270 F271 T272 V282 F588E270-K284 WeakPolarHBondContact OE1-CE 3.17Å; E270-K284 IonicContact OE1-NZ 2.67Å; E270-K284 PolarHBondContact OE1-NZ 3.01Å; E270-K284 IonicContact OE2-NZ 3.37Å; E270-K284 PolarHBondContact OE2-NZ 2.99Å; F271-K284 VanDerWaalsContact O-CA 3.3Å; F271-K284 WeakPolarHBondContact O-CA 3.45Å; T272-K284 HydrophobicContact CG2-CG 4.42Å; V282-K284 HydrophobicContact CG1-CG 4.25Å; K284-F588 WeakPolarHBondContact O-CE1 3.33Å
285F93.1Very high87.6Confident2 Ų268.6 Ų68.61%0.00933%0.33CS..EExtended strand (participates in β ladder)trans-145.1163.8173.464.9-93.7000110.7I224 R225 L234 F271 I273 F283 I296 F588I224-F285 HydrophobicContact CB-CB 4.42Å; I224-F285 HydrophobicContact CB-CD2 3.66Å; I224-F285 HydrophobicContact CB-CE2 4.24Å; I224-F285 HydrophobicContact CB-CG 4.26Å; I224-F285 HydrophobicContact CD1-CB 4.04Å; I224-F285 HydrophobicContact CD1-CD1 4.43Å; I224-F285 HydrophobicContact CD1-CD2 4.15Å; I224-F285 HydrophobicContact CD1-CG 3.96Å; I224-F285 HydrophobicContact CG2-CD2 3.39Å; I224-F285 HydrophobicContact CG2-CE2 3.44Å; I224-F285 VanDerWaalsContact CG2-CE2 3.44Å; I224-F285 HydrophobicContact CG2-CG 4.32Å; I224-F285 HydrophobicContact CG2-CZ 4.38Å; R225-F285 CarbonylContact O-C 3.46Å; R225-F285 VanDerWaalsContact O-CA 3.32Å; R225-F285 WeakPolarHBondContact O-CA 3.26Å; R225-F285 WeakPolarHBondContact O-CB 3.43Å; L234-F285 HydrophobicContact CD2-CE1 4.15Å; L234-F285 HydrophobicContact CD2-CE2 4.2Å; L234-F285 HydrophobicContact CD2-CZ 3.57Å; F271-F285 HydrophobicContact CB-CD1 4.17Å; F271-F285 HydrophobicContact CB-CD2 3.85Å; F271-F285 HydrophobicContact CB-CE1 3.8Å; F271-F285 HydrophobicContact CB-CE2 3.43Å; F271-F285 VanDerWaalsContact CB-CE2 3.43Å; F271-F285 HydrophobicContact CB-CG 4.21Å; F271-F285 HydrophobicContact CB-CZ 3.41Å; F271-F285 VanDerWaalsContact CB-CZ 3.41Å; F271-F285 HydrophobicContact CD1-CD1 4.33Å; F271-F285 AromaticContact CD1-CE1 3.34Å; F271-F285 HydrophobicContact CD1-CE1 3.34Å; F271-F285 HydrophobicContact CD1-CE2 4.14Å; F271-F285 AromaticContact CD1-CZ 3.22Å; F271-F285 HydrophobicContact CD1-CZ 3.22Å; F271-F285 HydrophobicContact CD2-CE2 4.42Å; F271-F285 HydrophobicContact CD2-CZ 4.11Å; F271-F285 HydrophobicContact CE1-CE1 4.11Å; F271-F285 AromaticContact CE1-CZ 3.9Å; F271-F285 HydrophobicContact CE1-CZ 3.9Å; F271-F285 AromaticContact CG-CE1 3.83Å; F271-F285 HydrophobicContact CG-CE1 3.83Å; F271-F285 AromaticContact CG-CE2 3.78Å; F271-F285 HydrophobicContact CG-CE2 3.78Å; F271-F285 AromaticContact CG-CZ 3.32Å; F271-F285 HydrophobicContact CG-CZ 3.32Å; F271-F285 PolarHBondContact N-O 2.94Å; F271-F285 PolarHBondContact O-N 2.83Å; I273-F285 HydrophobicContact CD1-CE1 3.89Å; F283-F285 HydrophobicContact CD1-CD1 4.06Å; F283-F285 HydrophobicContact CD1-CE1 4.43Å; F283-F285 AromaticContact CE1-CD1 3.46Å; F283-F285 HydrophobicContact CE1-CD1 3.46Å; F283-F285 VanDerWaalsContact CE1-CD1 3.46Å; F283-F285 AromaticContact CE1-CE1 3.85Å; F283-F285 HydrophobicContact CE1-CE1 3.85Å; F283-F285 HydrophobicContact CZ-CD1 4.31Å; F285-I296 HydrophobicContact CE2-CD1 4.34Å; F285-F588 HydrophobicContact CB-CZ 4.09Å
286N91.9Very high87.7Confident59 Ų5968.2 Ų68.232%0.31633%0.328SS..EExtended strand (participates in β ladder)trans-110138.5174.8-69.9-52.9000110.3I224 R225 K269 E270I224-N286 CarbonylContact C-O 3.6Å; I224-N286 WeakPolarHBondContact CA-O 3.48Å; R225-N286 PolarHBondContact N-O 3.08Å; R225-N286 PolarHBondContact O-N 2.86Å; K269-N286 WeakPolarHBondContact O-CA 3.4Å; K269-N286 PolarHBondContact O-OD1 2.81Å; E270-N286 VanDerWaalsContact CA-OD1 3.27Å; E270-N286 WeakPolarHBondContact CA-OD1 3.5Å; E270-N286 PolarHBondContact N-OD1 2.97Å
287S86.9Confident87.8Confident6 Ų664.8 Ų64.84%0.04231%0.31CS..EExtended strand (participates in β ladder)trans-102.8164.8168.374.90000111.6K269 R289 N293K269-S287 PolarHBondContact O-N 3.2Å; S287-R289 PolarHBondContact OG-O 2.89Å; S287-N293 VanDerWaalsContact CB-OD1 3.23Å; S287-N293 WeakPolarHBondContact CB-OD1 3.42Å; S287-N293 PolarHBondContact OG-ND2 3.41Å; S287-N293 PolarHBondContact OG-OD1 3.28Å
288S79.9Confident88Confident69 Ų6964.2 Ų64.248%0.48331%0.305SS..SBendtrans-69.6-31-177.960.10000113.5
289R82.8Confident88.3Confident157 Ų15755.5 Ų55.559%0.59227%0.267SS*.  trans-143.6140.2-171.5-60.1179.6-178-176.50.7111.9S287 R291 V292 N293S287-R289 PolarHBondContact OG-O 2.89Å; R289-R291 PolarHBondContact O-N 3.47Å; R289-V292 HydrophobicContact CB-CG2 4.05Å; R289-V292 WeakPolarHBondContact O-CB 3.41Å; R289-V292 PolarHBondContact O-N 2.87Å; R289-N293 PolarHBondContact O-N 3.47Å
290L83.3Confident88.8Confident79 Ų7946.8 Ų46.841%0.41423%0.229SC..Hα-helixtrans-56.8-34.6177-177.167.2000113.5Y266 D268 V292 N293 K294Y266-L290 HydrophobicContact CD2-CD1 4.22Å; Y266-L290 HydrophobicContact CE2-CD1 3.72Å; D268-L290 WeakPolarHBondContact O-CD1 3.35Å; L290-V292 VanDerWaalsContact C-N 3.3Å; L290-V292 PolarHBondContact O-N 3.1Å; L290-N293 PolarHBondContact O-N 3.23Å; L290-K294 PolarHBondContact O-N 3.34Å
291R82.8Confident89.1Confident108 Ų10850.2 Ų50.241%0.40825%0.246SC..Hα-helixtrans-64.5-35.3177-71.1180175.2-175.1-10.8112E85 R289 K294 L295E85-R291 IonicContact OE2-NH2 3.13Å; E85-R291 PolarHBondContact OE2-NH2 2.84Å; R289-R291 PolarHBondContact O-N 3.47Å; R291-K294 WeakPolarHBondContact O-CB 3.4Å; R291-K294 PolarHBondContact O-N 2.9Å; R291-L295 PolarHBondContact O-N 3.42Å; R291-L295 VanDerWaalsContact O-N 3.13Å
292V87.2Confident89.5Confident28 Ų2845.3 Ų45.317%0.1722%0.222CC..Hα-helixtrans-66.6-44.4176.51760000110.1F222 R289 L290 K294 L295 I296F222-V292 HydrophobicContact CB-CG1 4.49Å; F222-V292 HydrophobicContact CD1-CG1 3.72Å; F222-V292 HydrophobicContact CE1-CG1 4.44Å; F222-V292 HydrophobicContact CG-CG1 4.43Å; R289-V292 HydrophobicContact CB-CG2 4.05Å; R289-V292 WeakPolarHBondContact O-CB 3.41Å; R289-V292 PolarHBondContact O-N 2.87Å; L290-V292 VanDerWaalsContact C-N 3.3Å; L290-V292 PolarHBondContact O-N 3.1Å; V292-K294 VanDerWaalsContact C-N 3.27Å; V292-K294 PolarHBondContact O-N 3.41Å; V292-L295 PolarHBondContact O-N 3.27Å; V292-I296 HydrophobicContact CG1-CD1 3.74Å; V292-I296 HydrophobicContact CG1-CG1 4.14Å; V292-I296 WeakPolarHBondContact O-CG1 3.43Å; V292-I296 PolarHBondContact O-N 3.42Å
293N90.1Very high89.9Confident0 Ų042.9 Ų42.90%021%0.208CC..Hα-helixtrans-56.6-39.2174.3-79.9-15.4000113Y266 D268 K269 F271 S287 R289 L290 L297Y266-N293 HydrophobicContact CD1-CB 4.16Å; Y266-N293 HydrophobicContact CD2-CB 3.85Å; Y266-N293 HydrophobicContact CE2-CB 4.25Å; Y266-N293 HydrophobicContact CG-CB 3.83Å; D268-N293 PolarHBondContact O-ND2 3.2Å; K269-N293 PolarHBondContact O-ND2 3.08Å; K269-N293 VanDerWaalsContact O-ND2 3.17Å; F271-N293 HydrophobicContact CD2-CB 4.3Å; S287-N293 VanDerWaalsContact CB-OD1 3.23Å; S287-N293 WeakPolarHBondContact CB-OD1 3.42Å; S287-N293 PolarHBondContact OG-ND2 3.41Å; S287-N293 PolarHBondContact OG-OD1 3.28Å; R289-N293 PolarHBondContact O-N 3.47Å; L290-N293 PolarHBondContact O-N 3.23Å; N293-L297 WeakPolarHBondContact O-CB 3.43Å; N293-L297 PolarHBondContact O-N 3Å
294K88.6Confident90.2Very high95 Ų9545 Ų4541%0.41322%0.218SC..Hα-helixtrans-62.4-44174.5-76.4173.2-179177.40111.9Y266 L290 R291 V292 Q298Y266-K294 HydrophobicContact CE1-CG 4.36Å; Y266-K294 WeakPolarHBondContact OH-CE 3.47Å; Y266-K294 WeakPolarHBondContact OH-CG 3.23Å; L290-K294 PolarHBondContact O-N 3.34Å; R291-K294 WeakPolarHBondContact O-CB 3.4Å; R291-K294 PolarHBondContact O-N 2.9Å; V292-K294 VanDerWaalsContact C-N 3.27Å; V292-K294 PolarHBondContact O-N 3.41Å; K294-Q298 WeakPolarHBondContact O-CG 3.33Å; K294-Q298 PolarHBondContact O-N 3.13Å; K294-Q298 VanDerWaalsContact O-N 3.09Å
295L89.6Confident90.3Very high33 Ų3347 Ų4717%0.17323%0.231CC..Hα-helixtrans-66.9-48.3178.9179.557.4000111.6F222 R291 V292 L297 Q298 L299F222-L295 HydrophobicContact CE1-CD2 3.93Å; F222-L295 HydrophobicContact CE1-CG 4.21Å; F222-L295 HydrophobicContact CZ-CD2 4.31Å; F222-L295 HydrophobicContact CZ-CG 4.26Å; R291-L295 PolarHBondContact O-N 3.42Å; R291-L295 VanDerWaalsContact O-N 3.13Å; V292-L295 PolarHBondContact O-N 3.27Å; L295-L297 VanDerWaalsContact C-N 3.32Å; L295-L297 PolarHBondContact O-N 3.31Å; L295-Q298 PolarHBondContact O-N 2.97Å; L295-Q298 VanDerWaalsContact O-N 3.13Å; L295-L299 HydrophobicContact CD1-CD1 4.27Å; L295-L299 HydrophobicContact CD1-CG 4.24Å; L295-L299 HydrophobicContact CG-CD1 4.25Å; L295-L299 WeakPolarHBondContact O-CG 3.45Å; L295-L299 PolarHBondContact O-N 2.88Å
296I92.9Very high90.3Very high0 Ų047.5 Ų47.50%023%0.234CC..Hα-helixtrans-53.7-51.2175.2-65.5169.9000109.6F222 L234 F271 F285 V292 Q298 L299 C300F222-I296 HydrophobicContact CB-CD1 3.87Å; F222-I296 HydrophobicContact CB-CG1 4.22Å; F222-I296 HydrophobicContact CD1-CD1 4.2Å; F222-I296 HydrophobicContact CD1-CG1 3.8Å; F222-I296 HydrophobicContact CD2-CD1 4.22Å; F222-I296 HydrophobicContact CD2-CG1 3.67Å; F222-I296 HydrophobicContact CE1-CG1 4.07Å; F222-I296 HydrophobicContact CE2-CG1 3.94Å; F222-I296 HydrophobicContact CG-CD1 3.82Å; F222-I296 HydrophobicContact CG-CG1 3.59Å; F222-I296 HydrophobicContact CZ-CG1 4.14Å; L234-I296 HydrophobicContact CD2-CD1 4.22Å; L234-I296 HydrophobicContact CD2-CG2 3.83Å; F271-I296 HydrophobicContact CD2-CG2 4.43Å; F271-I296 HydrophobicContact CE1-CG2 4.18Å; F271-I296 HydrophobicContact CE2-CB 4.03Å; F271-I296 HydrophobicContact CE2-CG2 3.7Å; F271-I296 HydrophobicContact CZ-CB 4.34Å; F271-I296 HydrophobicContact CZ-CG2 3.54Å; F285-I296 HydrophobicContact CE2-CD1 4.34Å; V292-I296 HydrophobicContact CG1-CD1 3.74Å; V292-I296 HydrophobicContact CG1-CG1 4.14Å; V292-I296 WeakPolarHBondContact O-CG1 3.43Å; V292-I296 PolarHBondContact O-N 3.42Å; I296-Q298 VanDerWaalsContact C-N 3.31Å; I296-Q298 PolarHBondContact O-N 2.9Å; I296-L299 PolarHBondContact O-N 3.37Å; I296-L299 VanDerWaalsContact O-N 3.16Å; I296-C300 PolarHBondContact O-N 2.92Å; I296-C300 PolarHBondContact O-SG 2.94Å
297L93Very high90.4Very high34 Ų3445.1 Ų45.118%0.17822%0.221CC..Hα-helixtrans-58.5-43180-17865.8000112I264 Y266 F271 N293 L295 C300 I301I264-L297 HydrophobicContact CB-CD1 4.16Å; I264-L297 HydrophobicContact CG2-CD1 3.78Å; Y266-L297 HydrophobicContact CD1-CB 4.14Å; Y266-L297 HydrophobicContact CD1-CD2 3.85Å; Y266-L297 HydrophobicContact CE1-CB 4.14Å; Y266-L297 HydrophobicContact CE1-CD2 3.56Å; Y266-L297 HydrophobicContact CE1-CG 4.47Å; F271-L297 HydrophobicContact CE2-CB 4.13Å; F271-L297 HydrophobicContact CZ-CB 4.39Å; F271-L297 HydrophobicContact CZ-CD1 4.45Å; N293-L297 WeakPolarHBondContact O-CB 3.43Å; N293-L297 PolarHBondContact O-N 3Å; L295-L297 VanDerWaalsContact C-N 3.32Å; L295-L297 PolarHBondContact O-N 3.31Å; L297-C300 PolarHBondContact O-N 2.88Å; L297-I301 HydrophobicContact CD1-CD1 3.96Å; L297-I301 HydrophobicContact CD1-CG1 4.22Å; L297-I301 HydrophobicContact CD2-CD1 4.38Å; L297-I301 HydrophobicContact CG-CD1 3.79Å; L297-I301 HydrophobicContact CG-CG1 4.42Å; L297-I301 WeakPolarHBondContact O-CB 3.3Å; L297-I301 VanDerWaalsContact O-CG1 3.26Å; L297-I301 WeakPolarHBondContact O-CG1 3.39Å; L297-I301 PolarHBondContact O-N 3.24Å
298Q91.7Very high90.6Very high65 Ų6547.5 Ų47.530%0.30423%0.232SC..Hα-helixtrans-63.9-39.4178.1-76.5-173.9-34.300112.7K294 L295 I296 G302K294-Q298 WeakPolarHBondContact O-CG 3.33Å; K294-Q298 PolarHBondContact O-N 3.13Å; K294-Q298 VanDerWaalsContact O-N 3.09Å; L295-Q298 PolarHBondContact O-N 2.97Å; L295-Q298 VanDerWaalsContact O-N 3.13Å; I296-Q298 VanDerWaalsContact C-N 3.31Å; I296-Q298 PolarHBondContact O-N 2.9Å; Q298-G302 PolarHBondContact O-N 3.26Å; Q298-G302 VanDerWaalsContact O-N 3.13Å
299L94.4Very high91.2Very high3 Ų348.5 Ų48.52%0.01623%0.225CC..Hα-helixtrans-70-40.9176.6-67.6174.4000111.6K99 F100 N220 F222 V236 L295 I296 G302 N303K99-L299 HydrophobicContact CG-CD2 4.09Å; F100-L299 HydrophobicContact CE1-CD2 4.19Å; N220-L299 HydrophobicContact CB-CD1 3.96Å; F222-L299 HydrophobicContact CE2-CD1 3.89Å; F222-L299 HydrophobicContact CZ-CD1 3.53Å; V236-L299 HydrophobicContact CG1-CB 4.21Å; L295-L299 HydrophobicContact CD1-CD1 4.27Å; L295-L299 HydrophobicContact CD1-CG 4.24Å; L295-L299 HydrophobicContact CG-CD1 4.25Å; L295-L299 WeakPolarHBondContact O-CG 3.45Å; L295-L299 PolarHBondContact O-N 2.88Å; I296-L299 PolarHBondContact O-N 3.37Å; I296-L299 VanDerWaalsContact O-N 3.16Å; L299-G302 PolarHBondContact O-N 2.92Å; L299-N303 WeakPolarHBondContact O-CB 3.45Å; L299-N303 PolarHBondContact O-N 3.14Å; L299-N303 PolarHBondContact O-ND2 3.36Å
300C95.6Very high91.6Very high0 Ų043.6 Ų43.60%021%0.207CC..Hα-helixtrans-63.6-44.3176.7-620000112W258 I264 I296 L297 H304W258-C300 HydrophobicContact CH2-CB 3.8Å; W258-C300 HydrophobicContact CZ3-CB 4.17Å; I264-C300 HydrophobicContact CD1-CB 3.55Å; I296-C300 PolarHBondContact O-N 2.92Å; I296-C300 PolarHBondContact O-SG 2.94Å; L297-C300 PolarHBondContact O-N 2.88Å; C300-H304 WeakPolarHBondContact O-CB 3.4Å; C300-H304 PolarHBondContact O-N 3.49Å
301I93.6Very high91.9Very high85 Ų8546.2 Ų46.244%0.43621%0.212SC..Hα-helixtrans-61.2-49.6177.7-69.2168.5000110L297 H304 D305L297-I301 HydrophobicContact CD1-CD1 3.96Å; L297-I301 HydrophobicContact CD1-CG1 4.22Å; L297-I301 HydrophobicContact CD2-CD1 4.38Å; L297-I301 HydrophobicContact CG-CD1 3.79Å; L297-I301 HydrophobicContact CG-CG1 4.42Å; L297-I301 WeakPolarHBondContact O-CB 3.3Å; L297-I301 VanDerWaalsContact O-CG1 3.26Å; L297-I301 WeakPolarHBondContact O-CG1 3.39Å; L297-I301 PolarHBondContact O-N 3.24Å; I301-H304 PolarHBondContact O-N 2.98Å; I301-D305 WeakPolarHBondContact O-CB 3.48Å; I301-D305 VanDerWaalsContact O-CG 3.24Å; I301-D305 PolarHBondContact O-N 3.42Å
302G94.2Very high92.3Very high12 Ų1249.7 Ų49.712%0.12423%0.225CC..Hα-helixtrans-65.8-41.9-177.900000113.9Q298 L299 D305 L306Q298-G302 PolarHBondContact O-N 3.26Å; Q298-G302 VanDerWaalsContact O-N 3.13Å; L299-G302 PolarHBondContact O-N 2.92Å; G302-D305 PolarHBondContact O-N 3.38Å; G302-L306 WeakPolarHBondContact O-CG 3.29Å; G302-L306 PolarHBondContact O-N 2.99Å; G302-L306 VanDerWaalsContact O-N 3.08Å
303N96.2Very high92.3Very high3 Ų354.5 Ų54.52%0.01625%0.254CS..Hα-helixtrans-65.6-41.7174.8-78.6-64.8000111.6D237 W258 L299 L306 F307D237-N303 WeakPolarHBondContact O-CB 3.16Å; D237-N303 VanDerWaalsContact O-CG 3.29Å; D237-N303 PolarHBondContact O-OD1 3.31Å; W258-N303 HydrophobicContact CZ2-CB 3.65Å; L299-N303 WeakPolarHBondContact O-CB 3.45Å; L299-N303 PolarHBondContact O-N 3.14Å; L299-N303 PolarHBondContact O-ND2 3.36Å; N303-L306 PolarHBondContact O-N 3.43Å; N303-F307 VanDerWaalsContact O-CB 3.29Å; N303-F307 WeakPolarHBondContact O-CB 3.36Å; N303-F307 PolarHBondContact O-N 2.95Å
304H94Very high92.3Very high49 Ų4957 Ų5723%0.22727%0.267CS..Hα-helixtrans-64.6-41.3176.5-172.370.9000112.2W258 C300 I301 L306 F307 I308W258-H304 HydrophobicContact CD2-CB 4.27Å; W258-H304 HydrophobicContact CE3-CB 4Å; W258-H304 AromaticContact CE3-ND1 3.86Å; W258-H304 HydrophobicContact CZ3-CB 4.42Å; W258-H304 PolarHBondContact O-CE1 2.93Å; C300-H304 WeakPolarHBondContact O-CB 3.4Å; C300-H304 PolarHBondContact O-N 3.49Å; I301-H304 PolarHBondContact O-N 2.98Å; H304-L306 PolarHBondContact O-N 2.89Å; H304-F307 WeakPolarHBondContact O-CB 3.23Å; H304-F307 PolarHBondContact O-N 3.39Å; H304-I308 WeakPolarHBondContact O-CG1 3.31Å; H304-I308 PolarHBondContact O-N 3.01Å
305D94Very high92.4Very high99 Ų9955.1 Ų55.153%0.52927%0.266SS..Hα-helixtrans-61.5-43.5176.5-75.6-14.4000111.4I301 G302 I308 R309I301-D305 WeakPolarHBondContact O-CB 3.48Å; I301-D305 VanDerWaalsContact O-CG 3.24Å; I301-D305 PolarHBondContact O-N 3.42Å; G302-D305 PolarHBondContact O-N 3.38Å; D305-I308 PolarHBondContact O-N 3.35Å; D305-R309 WeakPolarHBondContact O-CB 3.38Å; D305-R309 PolarHBondContact O-N 3.31Å
306L94.3Very high92.5Very high14 Ų1460.1 Ų60.17%0.07329%0.292CS..Hα-helixtrans-65.8-43.1174.7-74.5174.8000112.3W60 F100 G302 N303 H304 I308 R309 R310W60-L306 HydrophobicContact CB-CD2 4.07Å; W60-L306 HydrophobicContact CG-CD2 4.11Å; F100-L306 HydrophobicContact CB-CD1 3.43Å; F100-L306 VanDerWaalsContact CB-CD1 3.43Å; F100-L306 HydrophobicContact CD1-CD1 4.48Å; F100-L306 HydrophobicContact CD2-CD1 4.23Å; F100-L306 HydrophobicContact CG-CD1 3.81Å; G302-L306 WeakPolarHBondContact O-CG 3.29Å; G302-L306 PolarHBondContact O-N 2.99Å; G302-L306 VanDerWaalsContact O-N 3.08Å; N303-L306 PolarHBondContact O-N 3.43Å; H304-L306 PolarHBondContact O-N 2.89Å; L306-I308 VanDerWaalsContact C-N 3.29Å; L306-I308 PolarHBondContact O-N 3.13Å; L306-R309 WeakPolarHBondContact O-CB 3.37Å; L306-R309 PolarHBondContact O-N 3.44Å; L306-R310 WeakPolarHBondContact O-CG 3.47Å; L306-R310 PolarHBondContact O-N 3.01Å
307F94.3Very high92.4Very high8 Ų865.4 Ų65.44%0.03532%0.317CS..Hα-helixtrans-55.7-43.5174.7171.3-88000112.2W258 N259 N303 H304 R311W258-F307 HydrophobicContact CB-CB 4.1Å; W258-F307 HydrophobicContact CB-CD1 3.5Å; W258-F307 VanDerWaalsContact CB-CD1 3.5Å; W258-F307 HydrophobicContact CB-CD2 3.58Å; W258-F307 HydrophobicContact CB-CE1 3.72Å; W258-F307 HydrophobicContact CB-CE2 3.74Å; W258-F307 HydrophobicContact CB-CG 3.44Å; W258-F307 VanDerWaalsContact CB-CG 3.44Å; W258-F307 HydrophobicContact CB-CZ 3.84Å; W258-F307 AromaticContact CD1-CD2 3.7Å; W258-F307 AromaticContact CD1-CG 3.87Å; W258-F307 HydrophobicContact CG-CB 4.13Å; W258-F307 HydrophobicContact CG-CD1 4.42Å; W258-F307 HydrophobicContact CG-CD2 4.03Å; W258-F307 AromaticContact CG-CG 3.95Å; W258-F307 HydrophobicContact CG-CG 3.95Å; N259-F307 HydrophobicContact CB-CE1 4.04Å; N259-F307 HydrophobicContact CB-CZ 3.76Å; N303-F307 VanDerWaalsContact O-CB 3.29Å; N303-F307 WeakPolarHBondContact O-CB 3.36Å; N303-F307 PolarHBondContact O-N 2.95Å; H304-F307 WeakPolarHBondContact O-CB 3.23Å; H304-F307 PolarHBondContact O-N 3.39Å; F307-R311 PolarHBondContact O-NH1 3.43Å
308I91.4Very high92.4Very high57 Ų5764.2 Ų64.229%0.29231%0.311SS..Hα-helixtrans-68.9-39.3175.7-65.3-63.2000110.8H304 D305 L306 R311 R312H304-I308 WeakPolarHBondContact O-CG1 3.31Å; H304-I308 PolarHBondContact O-N 3.01Å; D305-I308 PolarHBondContact O-N 3.35Å; L306-I308 VanDerWaalsContact C-N 3.29Å; L306-I308 PolarHBondContact O-N 3.13Å; I308-R311 PolarHBondContact O-N 3.17Å; I308-R312 WeakPolarHBondContact O-CG 3.16Å; I308-R312 PolarHBondContact O-N 2.9Å
309R91.1Very high92.4Very high89 Ų8965.1 Ų65.134%0.33632%0.315SS..Hα-helixtrans-60.7-44.1177.6-174.5177.4179.2177.3-3.5112W60 D305 L306 R311 R312W60-R309 VanDerWaalsContact CD2-NH1 3.26Å; W60-R309 VanDerWaalsContact CZ3-NH2 3.31Å; D305-R309 WeakPolarHBondContact O-CB 3.38Å; D305-R309 PolarHBondContact O-N 3.31Å; L306-R309 WeakPolarHBondContact O-CB 3.37Å; L306-R309 PolarHBondContact O-N 3.44Å; R309-R311 PolarHBondContact O-N 3.17Å; R309-R312 PolarHBondContact O-N 3.27Å; R309-R312 VanDerWaalsContact O-N 3.1Å
310R90.6Very high92.4Very high55 Ų5569.9 Ų69.921%0.20834%0.337CS..Hα-helixtrans-61.2-26178-69.1166.6-172.7137.7-0114Y101 E103 E108 L306 R312Y101-R310 PolarHBondContact O-NH2 3.27Å; E103-R310 VanDerWaalsContact CD-CD 3.47Å; E103-R310 WeakPolarHBondContact OE1-CD 3.35Å; E103-R310 IonicContact OE1-CZ 3.78Å; E103-R310 IonicContact OE1-NE 2.75Å; E103-R310 IonicContact OE1-NH1 3.57Å; E103-R310 PolarHBondContact OE1-NH1 3.24Å; E108-R310 IonicContact OE1-CZ 3.44Å; E108-R310 IonicContact OE1-NE 3.35Å; E108-R310 PolarHBondContact OE1-NE 3.45Å; E108-R310 IonicContact OE1-NH2 3.55Å; E108-R310 IonicContact OE2-CZ 3.83Å; E108-R310 IonicContact OE2-NE 2.68Å; E108-R310 PolarHBondContact OE2-NE 3.44Å; E108-R310 IonicContact OE2-NH2 3.2Å; E108-R310 PolarHBondContact OE2-NH2 2.75Å; L306-R310 WeakPolarHBondContact O-CG 3.47Å; L306-R310 PolarHBondContact O-N 3.01Å; R310-R312 VanDerWaalsContact C-N 3.35Å
311R91.6Very high92.3Very high134 Ų13470.3 Ų70.351%0.50634%0.339SS..THydrogen-bonded Turntrans-93.54.9179.9-72.3163.3-179.368.98.8113.1E103 F307 I308 R309E103-R311 IonicContact OE1-NH1 3.36Å; E103-R311 PolarHBondContact OE1-NH1 3.07Å; E103-R311 VanDerWaalsContact OE1-NH1 3.13Å; E103-R311 IonicContact OE1-NH2 2.85Å; E103-R311 IonicContact OE2-CZ 2.62Å; E103-R311 IonicContact OE2-NH1 4Å; E103-R311 PolarHBondContact OE2-NH1 2.95Å; E103-R311 IonicContact OE2-NH2 3.8Å; E103-R311 PolarHBondContact OE2-NH2 3.16Å; F307-R311 PolarHBondContact O-NH1 3.43Å; I308-R311 PolarHBondContact O-N 3.17Å; R309-R311 PolarHBondContact O-N 3.17Å
312R89.8Confident92.2Very high181 Ų18168.6 Ų68.668%0.68333%0.329SS*.SBendtrans-109160171.7-67.6177.9-179.1-1752.7108.6I308 R309 R310 D314I308-R312 WeakPolarHBondContact O-CG 3.16Å; I308-R312 PolarHBondContact O-N 2.9Å; R309-R312 PolarHBondContact O-N 3.27Å; R309-R312 VanDerWaalsContact O-N 3.1Å; R310-R312 VanDerWaalsContact C-N 3.35Å; R312-D314 PolarHBondContact O-N 3.1Å
313V87.6Confident92.1Very high128 Ų12870.9 Ų70.978%0.77634%0.343SS*.PPolyproline II helixtrans-60.2134.3171.3-1790000108.8S315V313-S315 PolarHBondContact O-N 2.68Å
314D89.8Confident91.9Very high53 Ų5375 Ų7528%0.28336%0.362SS..PPolyproline II helixtrans-52.2136.7175.7-83-21.8000110.4R312 V318 Q319 K322R312-D314 PolarHBondContact O-N 3.1Å; D314-V318 HydrophobicContact CB-CB 4.19Å; D314-V318 HydrophobicContact CB-CG1 4.01Å; D314-Q319 HydrophobicContact CB-CG 3.66Å; D314-Q319 PolarHBondContact O-NE2 3.16Å; D314-K322 WeakPolarHBondContact OD2-CE 3.24Å; D314-K322 IonicContact OD2-NZ 2.93Å; D314-K322 PolarHBondContact OD2-NZ 2.91Å
315S91.2Very high91.7Very high56 Ų5673.5 Ų73.539%0.39236%0.358SS..PPolyproline II helixtrans-58.4152.1170.9600000110.7V313 E317 V318 Q319V313-S315 PolarHBondContact O-N 2.68Å; S315-E317 PolarHBondContact O-N 2.76Å; S315-E317 VanDerWaalsContact O-N 3.08Å; S315-V318 PolarHBondContact O-N 3.18Å; S315-V318 VanDerWaalsContact OG-CG2 3.29Å; S315-V318 WeakPolarHBondContact OG-CG2 3.23Å; S315-V318 PolarHBondContact OG-N 3.42Å; S315-Q319 PolarHBondContact O-N 2.75Å
316L92.3Very high91.5Very high137 Ų13776.1 Ų76.172%0.71736%0.36SS*.Hα-helixtrans-51.4-37.8178.9-17465.1000112.9Q319 Q320L316-Q319 PolarHBondContact O-N 3.22Å; L316-Q320 WeakPolarHBondContact O-CB 3.4Å; L316-Q320 PolarHBondContact O-N 2.84Å
317E90.9Very high91.3Very high112 Ų11280.1 Ų80.152%0.52338%0.379SS..Hα-helixtrans-62.4-45.9176.8-173.3179.9-177.500112.8R57 S315 Q320 M321R57-E317 IonicContact CZ-OE1 3.21Å; R57-E317 IonicContact NE-OE1 3.38Å; R57-E317 IonicContact NH2-OE1 2.86Å; R57-E317 PolarHBondContact NH2-OE1 3.26Å; S315-E317 PolarHBondContact O-N 2.76Å; S315-E317 VanDerWaalsContact O-N 3.08Å; E317-Q320 PolarHBondContact O-N 3.35Å; E317-M321 WeakPolarHBondContact O-CB 3.16Å; E317-M321 PolarHBondContact O-N 2.67Å
318V92Very high91Very high8 Ų884.4 Ų84.45%0.04840%0.399CS..Hα-helixtrans-66.3-40.8177.5173.80000110.6W60 D314 S315 Q320 M321 K322W60-V318 HydrophobicContact CH2-CG2 3.78Å; W60-V318 HydrophobicContact CZ2-CG2 4.42Å; W60-V318 HydrophobicContact CZ3-CG2 4.41Å; D314-V318 HydrophobicContact CB-CB 4.19Å; D314-V318 HydrophobicContact CB-CG1 4.01Å; S315-V318 PolarHBondContact O-N 3.18Å; S315-V318 VanDerWaalsContact OG-CG2 3.29Å; S315-V318 WeakPolarHBondContact OG-CG2 3.23Å; S315-V318 PolarHBondContact OG-N 3.42Å; V318-Q320 PolarHBondContact O-N 2.75Å; V318-M321 PolarHBondContact O-N 3.36Å; V318-K322 HydrophobicContact CG1-CD 4.3Å; V318-K322 HydrophobicContact CG1-CG 4.48Å; V318-K322 WeakPolarHBondContact O-CG 3.3Å; V318-K322 PolarHBondContact O-N 2.92Å
319Q92Very high90.8Very high85 Ų8586.5 Ų86.540%0.39740%0.403SS..Hα-helixtrans-61.4-44.8175.7-66.1-175.97.400111.6D314 S315 L316 K322 S323D314-Q319 HydrophobicContact CB-CG 3.66Å; D314-Q319 PolarHBondContact O-NE2 3.16Å; S315-Q319 PolarHBondContact O-N 2.75Å; L316-Q319 PolarHBondContact O-N 3.22Å; Q319-K322 PolarHBondContact O-N 3.3Å; Q319-S323 WeakPolarHBondContact O-CB 3.39Å; Q319-S323 PolarHBondContact O-N 3.48Å
320Q93.7Very high90.7Very high103 Ų10384.6 Ų84.648%0.48141%0.406SS..Hα-helixtrans-61.8-44.3175.8-175.3179.89.100111.2L316 E317 V318 S323 Q324L316-Q320 WeakPolarHBondContact O-CB 3.4Å; L316-Q320 PolarHBondContact O-N 2.84Å; E317-Q320 PolarHBondContact O-N 3.35Å; V318-Q320 PolarHBondContact O-N 2.75Å; Q320-S323 PolarHBondContact O-N 3.23Å; Q320-Q324 HydrophobicContact CG-CG 4.5Å; Q320-Q324 WeakPolarHBondContact O-CB 3.36Å; Q320-Q324 VanDerWaalsContact O-CG 3.3Å; Q320-Q324 WeakPolarHBondContact O-CG 3.49Å; Q320-Q324 PolarHBondContact O-N 3.18Å
321M92.9Very high90.7Very high8 Ų889.9 Ų89.94%0.03943%0.426CS..Hα-helixtrans-60.8-47.5177.2-172.2178.865.500111.7R57 E58 W60 V110 Q111 E317 V318 S323 Q324 A325R57-M321 HydrophobicContact CB-SD 4Å; E58-M321 HydrophobicContact CG-CE 3.6Å; E58-M321 HydrophobicContact CG-SD 3.94Å; W60-M321 HydrophobicContact CH2-CE 3.96Å; W60-M321 HydrophobicContact CZ2-CE 4.3Å; V110-M321 HydrophobicContact CB-CE 3.87Å; V110-M321 HydrophobicContact CB-CG 4.46Å; V110-M321 HydrophobicContact CG1-CE 4.17Å; V110-M321 HydrophobicContact CG1-CG 3.84Å; V110-M321 HydrophobicContact CG2-CE 3.89Å; Q111-M321 HydrophobicContact CG-SD 4.16Å; E317-M321 WeakPolarHBondContact O-CB 3.16Å; E317-M321 PolarHBondContact O-N 2.67Å; V318-M321 PolarHBondContact O-N 3.36Å; M321-S323 VanDerWaalsContact C-N 3.34Å; M321-S323 PolarHBondContact O-N 3.42Å; M321-Q324 PolarHBondContact O-N 2.62Å; M321-A325 WeakPolarHBondContact O-CB 3.26Å; M321-A325 PolarHBondContact O-N 3.36Å
322K92.7Very high90.5Very high50 Ų5087.8 Ų87.822%0.21742%0.421CS..Hα-helixtrans-61.1-41174.9-75.9-177.9174176.20112.1V110 D314 V318 Q319 R326V110-K322 HydrophobicContact CG1-CG 4.09Å; V110-K322 HydrophobicContact CG2-CD 4.45Å; V110-K322 HydrophobicContact CG2-CG 3.62Å; D314-K322 WeakPolarHBondContact OD2-CE 3.24Å; D314-K322 IonicContact OD2-NZ 2.93Å; D314-K322 PolarHBondContact OD2-NZ 2.91Å; V318-K322 HydrophobicContact CG1-CD 4.3Å; V318-K322 HydrophobicContact CG1-CG 4.48Å; V318-K322 WeakPolarHBondContact O-CG 3.3Å; V318-K322 PolarHBondContact O-N 2.92Å; Q319-K322 PolarHBondContact O-N 3.3Å; K322-R326 WeakPolarHBondContact O-CB 3.37Å; K322-R326 WeakPolarHBondContact O-CG 3.36Å; K322-R326 PolarHBondContact O-N 3.48Å
323S92.3Very high90.3Very high60 Ų6084.8 Ų84.842%0.4241%0.414SS..Hα-helixtrans-64.4-45177.6-166.90000112Q319 Q320 M321 R326 E327Q319-S323 WeakPolarHBondContact O-CB 3.39Å; Q319-S323 PolarHBondContact O-N 3.48Å; Q320-S323 PolarHBondContact O-N 3.23Å; M321-S323 VanDerWaalsContact C-N 3.34Å; M321-S323 PolarHBondContact O-N 3.42Å; S323-R326 PolarHBondContact O-N 3.38Å; S323-E327 WeakPolarHBondContact O-CB 3.22Å; S323-E327 PolarHBondContact O-N 2.96Å
324Q91.8Very high90.4Very high89 Ų8983.1 Ų83.142%0.41641%0.405SS..Hα-helixtrans-62.5-46177.2-74.8173.8-20.400111.2Q320 M321 R326 E327 E328Q320-Q324 HydrophobicContact CG-CG 4.5Å; Q320-Q324 WeakPolarHBondContact O-CB 3.36Å; Q320-Q324 VanDerWaalsContact O-CG 3.3Å; Q320-Q324 WeakPolarHBondContact O-CG 3.49Å; Q320-Q324 PolarHBondContact O-N 3.18Å; M321-Q324 PolarHBondContact O-N 2.62Å; Q324-R326 PolarHBondContact O-N 2.6Å; Q324-E327 PolarHBondContact O-N 2.82Å; Q324-E328 WeakPolarHBondContact O-CB 3.46Å; Q324-E328 PolarHBondContact O-N 3.3Å
325A90.1Very high90.4Very high17 Ų1787.4 Ų87.414%0.1442%0.423CS..Hα-helixtrans-62.3-42.4177.600000112.2V110 M321 E328 R329V110-A325 HydrophobicContact CG1-CB 3.56Å; M321-A325 WeakPolarHBondContact O-CB 3.26Å; M321-A325 PolarHBondContact O-N 3.36Å; A325-E328 PolarHBondContact O-N 2.89Å; A325-R329 WeakPolarHBondContact O-CB 3.38Å; A325-R329 VanDerWaalsContact O-CG 3.31Å; A325-R329 WeakPolarHBondContact O-CG 3.41Å; A325-R329 PolarHBondContact O-N 3.16Å
326R89.1Confident90.1Very high154 Ų15489.1 Ų89.158%0.58142%0.421SS*.Hα-helixtrans-62.4-44.1174.6-76.8-170.6-61.3-102.40.1112.3K322 S323 Q324 R329 A330K322-R326 WeakPolarHBondContact O-CB 3.37Å; K322-R326 WeakPolarHBondContact O-CG 3.36Å; K322-R326 PolarHBondContact O-N 3.48Å; S323-R326 PolarHBondContact O-N 3.38Å; Q324-R326 PolarHBondContact O-N 2.6Å; R326-R329 PolarHBondContact O-N 2.92Å; R326-A330 VanDerWaalsContact O-CB 3.31Å; R326-A330 WeakPolarHBondContact O-CB 3.36Å; R326-A330 PolarHBondContact O-N 3.41Å
327E89.9Confident89.9Confident99 Ų9987 Ų8746%0.46341%0.407SS..Hα-helixtrans-64.7-41.6178.3-169.7-178.3171.100111.5S323 Q324 A330 R331S323-E327 WeakPolarHBondContact O-CB 3.22Å; S323-E327 PolarHBondContact O-N 2.96Å; Q324-E327 PolarHBondContact O-N 2.82Å; E327-A330 PolarHBondContact O-N 3.03Å; E327-R331 WeakPolarHBondContact O-CB 3.29Å; E327-R331 VanDerWaalsContact O-CG 3.22Å; E327-R331 WeakPolarHBondContact O-CG 3.31Å; E327-R331 PolarHBondContact O-N 3.19Å; E327-R331 IonicContact OE1-CZ 2.78Å; E327-R331 IonicContact OE1-NE 3.34Å; E327-R331 PolarHBondContact OE1-NE 2.94Å; E327-R331 IonicContact OE1-NH2 2.83Å; E327-R331 PolarHBondContact OE1-NH2 3.22Å
328E89.1Confident89.9Confident98 Ų9890 Ų9046%0.45841%0.414SS..Hα-helixtrans-64.6-45.9176.4-169.5-178.2157.300111.8Q324 A325 A330 R331 K332Q324-E328 WeakPolarHBondContact O-CB 3.46Å; Q324-E328 PolarHBondContact O-N 3.3Å; A325-E328 PolarHBondContact O-N 2.89Å; E328-A330 PolarHBondContact O-N 3.2Å; E328-R331 PolarHBondContact O-N 2.88Å; E328-K332 HydrophobicContact CG-CD 4.43Å; E328-K332 WeakPolarHBondContact O-CG 3.07Å; E328-K332 PolarHBondContact O-N 3.27Å; E328-K332 WeakPolarHBondContact OE1-CE 3.45Å; E328-K332 IonicContact OE1-NZ 3.84Å; E328-K332 PolarHBondContact OE1-NZ 3.11Å
329R86.7Confident89.7Confident101 Ų10195 Ų9538%0.38144%0.44SS..Hα-helixtrans-59.9-45174.8-73.8178.7-176171.53.1111.5A325 R326 R331 K332 Q333A325-R329 WeakPolarHBondContact O-CB 3.38Å; A325-R329 VanDerWaalsContact O-CG 3.31Å; A325-R329 WeakPolarHBondContact O-CG 3.41Å; A325-R329 PolarHBondContact O-N 3.16Å; R326-R329 PolarHBondContact O-N 2.92Å; R329-R331 PolarHBondContact O-N 2.93Å; R329-K332 PolarHBondContact O-N 3.41Å; R329-Q333 WeakPolarHBondContact O-CB 2.96Å; R329-Q333 PolarHBondContact O-N 2.92Å
330A88.6Confident89.5Confident49 Ų4995.7 Ų95.741%0.40544%0.443SS..Hα-helixtrans-62.8-41.817700000112R326 E327 E328 Q333 V334R326-A330 VanDerWaalsContact O-CB 3.31Å; R326-A330 WeakPolarHBondContact O-CB 3.36Å; R326-A330 PolarHBondContact O-N 3.41Å; E327-A330 PolarHBondContact O-N 3.03Å; E328-A330 PolarHBondContact O-N 3.2Å; A330-Q333 PolarHBondContact O-N 3.06Å; A330-V334 WeakPolarHBondContact O-CG2 3.36Å; A330-V334 PolarHBondContact O-N 3.19Å
331R90.1Very high89.4Confident165 Ų16598 Ų9862%0.62345%0.447SS*.Hα-helixtrans-61.7-49.5175.1-75.2171.2-178.9-134.26.1111.6E327 E328 R329 Q333 V334 E335E327-R331 WeakPolarHBondContact O-CB 3.29Å; E327-R331 VanDerWaalsContact O-CG 3.22Å; E327-R331 WeakPolarHBondContact O-CG 3.31Å; E327-R331 PolarHBondContact O-N 3.19Å; E327-R331 IonicContact OE1-CZ 2.78Å; E327-R331 IonicContact OE1-NE 3.34Å; E327-R331 PolarHBondContact OE1-NE 2.94Å; E327-R331 IonicContact OE1-NH2 2.83Å; E327-R331 PolarHBondContact OE1-NH2 3.22Å; E328-R331 PolarHBondContact O-N 2.88Å; R329-R331 PolarHBondContact O-N 2.93Å; R331-Q333 VanDerWaalsContact C-N 3.27Å; R331-Q333 PolarHBondContact O-N 3.35Å; R331-V334 PolarHBondContact O-N 3.37Å; R331-E335 WeakPolarHBondContact O-CB 3.42Å; R331-E335 PolarHBondContact O-N 2.98Å
332K87.8Confident89.3Confident90 Ų90103 Ų10339%0.39147%0.47SS..Hα-helixtrans-56.6-41.5175.7-72.9175.3-177.3168.60111.2D112 E328 R329 R336D112-K332 IonicContact OD2-NZ 2.99Å; D112-K332 PolarHBondContact OD2-NZ 3.36Å; E328-K332 HydrophobicContact CG-CD 4.43Å; E328-K332 WeakPolarHBondContact O-CG 3.07Å; E328-K332 PolarHBondContact O-N 3.27Å; E328-K332 WeakPolarHBondContact OE1-CE 3.45Å; E328-K332 IonicContact OE1-NZ 3.84Å; E328-K332 PolarHBondContact OE1-NZ 3.11Å; R329-K332 PolarHBondContact O-N 3.41Å; K332-R336 VanDerWaalsContact O-CB 3.24Å; K332-R336 WeakPolarHBondContact O-CB 3.3Å; K332-R336 PolarHBondContact O-N 2.85Å
333Q86.3Confident89.1Confident118 Ų118106.6 Ų106.655%0.55149%0.486SS*.Hα-helixtrans-66-44.3178.7-170.7177.513.700112.6R329 A330 R331 R336 Q337R329-Q333 WeakPolarHBondContact O-CB 2.96Å; R329-Q333 PolarHBondContact O-N 2.92Å; A330-Q333 PolarHBondContact O-N 3.06Å; R331-Q333 VanDerWaalsContact C-N 3.27Å; R331-Q333 PolarHBondContact O-N 3.35Å; Q333-R336 PolarHBondContact O-N 3.25Å; Q333-Q337 WeakPolarHBondContact O-CG 3.4Å; Q333-Q337 PolarHBondContact O-N 3.41Å
334V89.2Confident89.1Confident94 Ų94108.1 Ų108.157%0.5749%0.486SS*.Hα-helixtrans-64.4-45.2177.7170.60000111.2A330 R331 R336 Q337 R338A330-V334 WeakPolarHBondContact O-CG2 3.36Å; A330-V334 PolarHBondContact O-N 3.19Å; R331-V334 PolarHBondContact O-N 3.37Å; V334-R336 VanDerWaalsContact C-N 3.31Å; V334-R336 PolarHBondContact O-N 3.44Å; V334-Q337 PolarHBondContact O-N 2.9Å; V334-R338 PolarHBondContact O-N 3.44Å
335E89Confident89.1Confident142 Ų142109.3 Ų109.366%0.66450%0.495SS*.Hα-helixtrans-59.6-43.6176.7-175.7173.5-168.700111.3R331 R338 L339R331-E335 WeakPolarHBondContact O-CB 3.42Å; R331-E335 PolarHBondContact O-N 2.98Å; E335-R338 WeakPolarHBondContact O-CB 3.44Å; E335-R338 PolarHBondContact O-N 2.87Å; E335-L339 PolarHBondContact O-N 2.82Å
336R85.1Confident89.2Confident93 Ų93117.5 Ų117.535%0.35152%0.522SS..Hα-helixtrans-63.1-46.1176.1-177178.2176.7-151.8-11.9112.8G197 E202 K332 Q333 V334 R338 L339 Q340G197-R336 PolarHBondContact O-NH1 3.23Å; G197-R336 PolarHBondContact O-NH2 3.47Å; E202-R336 IonicContact OE2-NH1 3.99Å; K332-R336 VanDerWaalsContact O-CB 3.24Å; K332-R336 WeakPolarHBondContact O-CB 3.3Å; K332-R336 PolarHBondContact O-N 2.85Å; Q333-R336 PolarHBondContact O-N 3.25Å; V334-R336 VanDerWaalsContact C-N 3.31Å; V334-R336 PolarHBondContact O-N 3.44Å; R336-R338 PolarHBondContact O-N 2.64Å; R336-L339 PolarHBondContact O-N 2.78Å; R336-Q340 WeakPolarHBondContact O-CB 3.34Å; R336-Q340 PolarHBondContact O-N 3.2Å
337Q87.9Confident89.4Confident91 Ų91114.1 Ų114.143%0.42551%0.513SS..Hα-helixtrans-62.2-34.5177-75.9179.82.300112.1Q333 V334 R341Q333-Q337 WeakPolarHBondContact O-CG 3.4Å; Q333-Q337 PolarHBondContact O-N 3.41Å; V334-Q337 PolarHBondContact O-N 2.9Å; Q337-R341 PolarHBondContact O-N 3.02Å; Q337-R341 VanDerWaalsContact O-N 3.11Å
338R91.5Very high89.5Confident176 Ų176114.5 Ų114.566%0.66452%0.515SS*.Hα-helixtrans-65.2-50.1173.3179.7-176.2172.2-172.2-1.4110.8V334 E335 R336 Q340 R341 E342V334-R338 PolarHBondContact O-N 3.44Å; E335-R338 WeakPolarHBondContact O-CB 3.44Å; E335-R338 PolarHBondContact O-N 2.87Å; R336-R338 PolarHBondContact O-N 2.64Å; R338-Q340 VanDerWaalsContact C-N 3.31Å; R338-Q340 PolarHBondContact O-N 2.96Å; R338-R341 PolarHBondContact O-N 3.34Å; R338-E342 PolarHBondContact O-N 3.24Å
339L88.8Confident89.6Confident114 Ų114112.7 Ų112.760%0.59752%0.517SS*.Hα-helixtrans-61.2-40.2179.5-174.965.2000111.9E335 R336 E342 K343E335-L339 PolarHBondContact O-N 2.82Å; R336-L339 PolarHBondContact O-N 2.78Å; L339-E342 PolarHBondContact O-N 3.05Å; L339-K343 WeakPolarHBondContact O-CB 3.39Å; L339-K343 PolarHBondContact O-N 2.88Å
340Q87.2Confident89.9Confident99 Ų99112.1 Ų112.146%0.46352%0.518SS..Hα-helixtrans-65.1-43177.5-173.3173.63.900112.1R336 R338 K343 Q344R336-Q340 WeakPolarHBondContact O-CB 3.34Å; R336-Q340 PolarHBondContact O-N 3.2Å; R338-Q340 VanDerWaalsContact C-N 3.31Å; R338-Q340 PolarHBondContact O-N 2.96Å; Q340-K343 PolarHBondContact O-N 2.98Å; Q340-Q344 WeakPolarHBondContact O-CG 3.31Å; Q340-Q344 PolarHBondContact O-N 3.4Å
341R90.4Very high90.1Very high151 Ų151116.9 Ų116.957%0.5753%0.526SS*.Hα-helixtrans-62.3-43173.4-90.3-175.6-84.6158-11.5112Q337 R338 K343 Q344 L345Q337-R341 PolarHBondContact O-N 3.02Å; Q337-R341 VanDerWaalsContact O-N 3.11Å; R338-R341 PolarHBondContact O-N 3.34Å; R341-K343 VanDerWaalsContact C-N 3.34Å; R341-K343 PolarHBondContact O-N 2.85Å; R341-Q344 PolarHBondContact O-N 3.24Å; R341-L345 WeakPolarHBondContact O-CB 3.47Å; R341-L345 VanDerWaalsContact O-CG 3.31Å; R341-L345 WeakPolarHBondContact O-CG 3.24Å; R341-L345 PolarHBondContact O-N 3.16Å
342E90.9Very high90.2Very high113 Ų113111.3 Ų111.353%0.52852%0.515SS..Hα-helixtrans-61.4-43.5176.7-172.8178.616100111.6R338 L339 L345 R346R338-E342 PolarHBondContact O-N 3.24Å; L339-E342 PolarHBondContact O-N 3.05Å; E342-L345 PolarHBondContact O-N 3.48Å; E342-R346 WeakPolarHBondContact O-CB 3.49Å; E342-R346 PolarHBondContact O-N 3.28Å
343K90.3Very high90.4Very high125 Ų125113.2 Ų113.254%0.54352%0.52SS..Hα-helixtrans-60.9-46.4175.1-174.9176.8176178.60111.9L339 Q340 R341 R346 E347L339-K343 WeakPolarHBondContact O-CB 3.39Å; L339-K343 PolarHBondContact O-N 2.88Å; Q340-K343 PolarHBondContact O-N 2.98Å; R341-K343 VanDerWaalsContact C-N 3.34Å; R341-K343 PolarHBondContact O-N 2.85Å; K343-R346 PolarHBondContact O-N 3.39Å; K343-E347 WeakPolarHBondContact CE-OE1 3.41Å; K343-E347 WeakPolarHBondContact O-CG 3.05Å; K343-E347 PolarHBondContact O-N 3.36Å
344Q90.9Very high90.7Very high92 Ų92110.3 Ų110.343%0.4351%0.508SS..Hα-helixtrans-60.6-47.3177.6-75.6174.3-20.600112Q340 R341 R346 E347 E348Q340-Q344 WeakPolarHBondContact O-CG 3.31Å; Q340-Q344 PolarHBondContact O-N 3.4Å; R341-Q344 PolarHBondContact O-N 3.24Å; Q344-R346 VanDerWaalsContact C-N 3.26Å; Q344-R346 PolarHBondContact O-N 3.41Å; Q344-E347 PolarHBondContact O-N 3.12Å; Q344-E348 WeakPolarHBondContact O-CG 3.31Å; Q344-E348 PolarHBondContact O-N 3.32Å
345L93.1Very high90.9Very high114 Ų114111.8 Ų111.860%0.59751%0.509SS*.Hα-helixtrans-60.3-37.9177-72.3170.8000111.8R341 E342 A349R341-L345 WeakPolarHBondContact O-CB 3.47Å; R341-L345 VanDerWaalsContact O-CG 3.31Å; R341-L345 WeakPolarHBondContact O-CG 3.24Å; R341-L345 PolarHBondContact O-N 3.16Å; E342-L345 PolarHBondContact O-N 3.48Å; L345-A349 VanDerWaalsContact O-CB 3.31Å; L345-A349 WeakPolarHBondContact O-CB 3.47Å; L345-A349 PolarHBondContact O-N 2.84Å
346R92.3Very high91Very high189 Ų189110.1 Ų110.171%0.71350%0.504SS*.Hα-helixtrans-67.3-44.4176.4-174.2174.4178.8156.6-0.3112.3E342 K343 Q344 E348 A349 E350E342-R346 WeakPolarHBondContact O-CB 3.49Å; E342-R346 PolarHBondContact O-N 3.28Å; K343-R346 PolarHBondContact O-N 3.39Å; Q344-R346 VanDerWaalsContact C-N 3.26Å; Q344-R346 PolarHBondContact O-N 3.41Å; R346-E348 VanDerWaalsContact C-N 3.31Å; R346-E348 PolarHBondContact O-N 3.39Å; R346-A349 PolarHBondContact O-N 3.37Å; R346-E350 WeakPolarHBondContact O-CB 3.31Å; R346-E350 PolarHBondContact O-N 2.86Å
347E91.5Very high91.3Very high84 Ų84110.9 Ų110.939%0.39351%0.512SS..Hα-helixtrans-64.2-35.9176.8-73.4173.1-174.600112.2K343 Q344 R351K343-E347 WeakPolarHBondContact CE-OE1 3.41Å; K343-E347 WeakPolarHBondContact O-CG 3.05Å; K343-E347 PolarHBondContact O-N 3.36Å; Q344-E347 PolarHBondContact O-N 3.12Å; E347-R351 WeakPolarHBondContact O-CB 3.46Å; E347-R351 WeakPolarHBondContact O-CG 3.27Å; E347-R351 PolarHBondContact O-N 3.25Å; E347-R351 PolarHBondContact O-NE 3.06Å
348E92.2Very high91.6Very high106 Ų106115.7 Ų115.750%0.49553%0.526SS..Hα-helixtrans-69.5-43.3173.9-73.5176.2178.900111.9Q344 R346 E350 R351 A352Q344-E348 WeakPolarHBondContact O-CG 3.31Å; Q344-E348 PolarHBondContact O-N 3.32Å; R346-E348 VanDerWaalsContact C-N 3.31Å; R346-E348 PolarHBondContact O-N 3.39Å; E348-E350 VanDerWaalsContact C-N 3.33Å; E348-E350 PolarHBondContact O-N 2.86Å; E348-R351 PolarHBondContact O-N 2.96Å; E348-A352 WeakPolarHBondContact O-CB 3.47Å; E348-A352 PolarHBondContact O-N 3.33Å
349A91.9Very high91.5Very high61 Ų61114.3 Ų114.350%0.50452%0.521SS..Hα-helixtrans-63.3-3917600000112.1L345 R346 A352 R353L345-A349 VanDerWaalsContact O-CB 3.31Å; L345-A349 WeakPolarHBondContact O-CB 3.47Å; L345-A349 PolarHBondContact O-N 2.84Å; R346-A349 PolarHBondContact O-N 3.37Å; A349-A352 PolarHBondContact O-N 3.27Å; A349-R353 WeakPolarHBondContact O-CB 3.36Å; A349-R353 PolarHBondContact O-N 3.45Å
350E92.2Very high91.5Very high88 Ų88114 Ų11441%0.41152%0.519SS..Hα-helixtrans-65.7-45.6175.1178151.2-137.700111.7R346 E348 A352 R353 D354R346-E350 WeakPolarHBondContact O-CB 3.31Å; R346-E350 PolarHBondContact O-N 2.86Å; E348-E350 VanDerWaalsContact C-N 3.33Å; E348-E350 PolarHBondContact O-N 2.86Å; E350-A352 VanDerWaalsContact C-N 3.33Å; E350-A352 PolarHBondContact O-N 2.61Å; E350-R353 WeakPolarHBondContact O-CB 3.42Å; E350-R353 PolarHBondContact O-N 3.22Å; E350-R353 IonicContact OE1-CZ 3.69Å; E350-R353 IonicContact OE1-NH1 2.57Å; E350-R353 IonicContact OE1-NH2 2.8Å; E350-R353 PolarHBondContact OE1-NH2 3.47Å; E350-D354 VanDerWaalsContact O-CG 3.31Å; E350-D354 PolarHBondContact O-N 2.85Å
351R93.1Very high91.8Very high150 Ų150113.2 Ų113.257%0.56652%0.517SS*.Hα-helixtrans-59.4-42.6173.8-79.9-178.2-83.4144.5-8.6112.4E347 E348 D354 E355E347-R351 WeakPolarHBondContact O-CB 3.46Å; E347-R351 WeakPolarHBondContact O-CG 3.27Å; E347-R351 PolarHBondContact O-N 3.25Å; E347-R351 PolarHBondContact O-NE 3.06Å; E348-R351 PolarHBondContact O-N 2.96Å; R351-D354 PolarHBondContact O-N 3.15Å; R351-E355 PolarHBondContact O-N 3.16Å
352A92.1Very high91.8Very high48 Ų48111.3 Ų111.340%0.39752%0.515SS..Hα-helixtrans-65.4-39176.900000112.1E348 A349 E350 E355 L356E348-A352 WeakPolarHBondContact O-CB 3.47Å; E348-A352 PolarHBondContact O-N 3.33Å; A349-A352 PolarHBondContact O-N 3.27Å; E350-A352 VanDerWaalsContact C-N 3.33Å; E350-A352 PolarHBondContact O-N 2.61Å; A352-E355 PolarHBondContact O-N 2.83Å; A352-L356 WeakPolarHBondContact O-CB 3.49Å; A352-L356 WeakPolarHBondContact O-CG 3.25Å; A352-L356 PolarHBondContact O-N 3.35Å
353R92.8Very high91.8Very high129 Ų129108.7 Ų108.749%0.48750%0.504SS..Hα-helixtrans-60.7-50.2173.5-177.9-159.668.6-157-6.6110.8A349 E350 E355 L356 E357A349-R353 WeakPolarHBondContact O-CB 3.36Å; A349-R353 PolarHBondContact O-N 3.45Å; E350-R353 WeakPolarHBondContact O-CB 3.42Å; E350-R353 PolarHBondContact O-N 3.22Å; E350-R353 IonicContact OE1-CZ 3.69Å; E350-R353 IonicContact OE1-NH1 2.57Å; E350-R353 IonicContact OE1-NH2 2.8Å; E350-R353 PolarHBondContact OE1-NH2 3.47Å; R353-E355 VanDerWaalsContact C-N 3.28Å; R353-E355 PolarHBondContact O-N 3.49Å; R353-L356 PolarHBondContact O-N 3.43Å; R353-L356 VanDerWaalsContact O-N 3.16Å; R353-E357 WeakPolarHBondContact O-CB 3.48Å; R353-E357 PolarHBondContact O-N 3.3Å
354D92.8Very high91.8Very high58 Ų58108.7 Ų108.731%0.3151%0.506SS..Hα-helixtrans-64-35.3-177.7-67.2-3.2000111.6E350 R351 R358E350-D354 VanDerWaalsContact O-CG 3.31Å; E350-D354 PolarHBondContact O-N 2.85Å; R351-D354 PolarHBondContact O-N 3.15Å; D354-R358 VanDerWaalsContact O-CG 3.3Å; D354-R358 WeakPolarHBondContact O-CG 3.36Å; D354-R358 PolarHBondContact O-N 3.45Å
355E93.2Very high91.9Very high124 Ų124108.9 Ų108.958%0.57951%0.51SS*.Hα-helixtrans-65-46.4172.6-173.6-179.5170.400111.7R351 A352 R353 E357 R358 R359R351-E355 PolarHBondContact O-N 3.16Å; A352-E355 PolarHBondContact O-N 2.83Å; R353-E355 VanDerWaalsContact C-N 3.28Å; R353-E355 PolarHBondContact O-N 3.49Å; E355-E357 VanDerWaalsContact C-N 3.34Å; E355-E357 PolarHBondContact O-N 2.81Å; E355-R358 PolarHBondContact O-N 2.91Å; E355-R359 WeakPolarHBondContact O-CB 3.47Å; E355-R359 PolarHBondContact O-N 3.09Å
356L91.6Very high91.7Very high108 Ų108106.5 Ų106.557%0.56550%0.496SS*.Hα-helixtrans-62.7-40.6176.9-74.5172.5000112A352 R353 R359 L360A352-L356 WeakPolarHBondContact O-CB 3.49Å; A352-L356 WeakPolarHBondContact O-CG 3.25Å; A352-L356 PolarHBondContact O-N 3.35Å; R353-L356 PolarHBondContact O-N 3.43Å; R353-L356 VanDerWaalsContact O-N 3.16Å; L356-R359 PolarHBondContact O-N 3.14Å; L356-L360 WeakPolarHBondContact O-CB 3.43Å; L356-L360 PolarHBondContact O-N 2.83Å
357E90.9Very high91.6Very high109 Ų10998.8 Ų98.851%0.50947%0.473SS..Hα-helixtrans-62.8-46.9177.6-175.5171.8-164.700111.5R353 E355 R359 L360 I361R353-E357 WeakPolarHBondContact O-CB 3.48Å; R353-E357 PolarHBondContact O-N 3.3Å; E355-E357 VanDerWaalsContact C-N 3.34Å; E355-E357 PolarHBondContact O-N 2.81Å; E357-R359 VanDerWaalsContact C-N 3.27Å; E357-R359 PolarHBondContact O-N 2.69Å; E357-L360 PolarHBondContact O-N 3.39Å; E357-I361 HydrophobicContact CG-CD1 4.33Å; E357-I361 WeakPolarHBondContact O-CG1 3.2Å; E357-I361 PolarHBondContact O-N 2.9Å
358R93.2Very high91.7Very high192 Ų19299.8 Ų99.873%0.72548%0.477SS*.Hα-helixtrans-58.4-41.4174-73.2174.5-171.8-124.53111.9D354 E355 L360 I361 Q362D354-R358 VanDerWaalsContact O-CG 3.3Å; D354-R358 WeakPolarHBondContact O-CG 3.36Å; D354-R358 PolarHBondContact O-N 3.45Å; E355-R358 PolarHBondContact O-N 2.91Å; R358-L360 VanDerWaalsContact C-N 3.34Å; R358-I361 PolarHBondContact O-N 3.4Å; R358-Q362 PolarHBondContact O-N 3.31Å
359R90.6Very high91.7Very high146 Ų146100.5 Ų100.555%0.55148%0.482SS*.Hα-helixtrans-67.4-36.7179.1-151.1172.4-165.8160.82.9111.8E355 L356 E357 Q362 L363E355-R359 WeakPolarHBondContact O-CB 3.47Å; E355-R359 PolarHBondContact O-N 3.09Å; L356-R359 PolarHBondContact O-N 3.14Å; E357-R359 VanDerWaalsContact C-N 3.27Å; E357-R359 PolarHBondContact O-N 2.69Å; R359-Q362 PolarHBondContact O-N 3.4Å; R359-L363 VanDerWaalsContact O-CG 3.32Å; R359-L363 WeakPolarHBondContact O-CG 3.32Å; R359-L363 PolarHBondContact O-N 3.12Å
360L89.1Confident91.6Very high108 Ų10898 Ų9857%0.56546%0.461SS*.Hα-helixtrans-66.2-45.2175.7-169.6151.3000111L356 E357 R358 Q362 L363 Q364L356-L360 WeakPolarHBondContact O-CB 3.43Å; L356-L360 PolarHBondContact O-N 2.83Å; E357-L360 PolarHBondContact O-N 3.39Å; R358-L360 VanDerWaalsContact C-N 3.34Å; L360-Q362 VanDerWaalsContact C-N 3.33Å; L360-Q362 PolarHBondContact O-N 2.96Å; L360-L363 PolarHBondContact O-N 3.07Å; L360-Q364 WeakPolarHBondContact O-CB 3.3Å; L360-Q364 PolarHBondContact O-N 3.1Å
361I93.2Very high91.6Very high83 Ų8397.9 Ų97.943%0.42646%0.463SS..Hα-helixtrans-57.9-47.5174.5-66.9166.3000110.2E357 R358 L363 Q364 D365E357-I361 HydrophobicContact CG-CD1 4.33Å; E357-I361 WeakPolarHBondContact O-CG1 3.2Å; E357-I361 PolarHBondContact O-N 2.9Å; R358-I361 PolarHBondContact O-N 3.4Å; I361-L363 PolarHBondContact O-N 3.35Å; I361-Q364 WeakPolarHBondContact O-CB 3.45Å; I361-Q364 PolarHBondContact O-N 2.86Å; I361-Q364 VanDerWaalsContact O-N 3.16Å; I361-D365 PolarHBondContact O-N 3.34Å
362Q91.1Very high91.6Very high110 Ų11094.6 Ų94.651%0.51445%0.454SS..Hα-helixtrans-59.3-45.1177.8-175.4-177.7-3.500112.4R358 R359 L360 Q364 D365 E366R358-Q362 PolarHBondContact O-N 3.31Å; R359-Q362 PolarHBondContact O-N 3.4Å; L360-Q362 VanDerWaalsContact C-N 3.33Å; L360-Q362 PolarHBondContact O-N 2.96Å; Q362-Q364 VanDerWaalsContact C-N 3.31Å; Q362-Q364 PolarHBondContact O-N 3.01Å; Q362-D365 PolarHBondContact O-N 3.38Å; Q362-E366 PolarHBondContact NE2-OE1 3.49Å; Q362-E366 WeakPolarHBondContact O-CB 3.28Å; Q362-E366 WeakPolarHBondContact O-CG 3.46Å; Q362-E366 PolarHBondContact O-N 2.91Å
363L89.9Confident91.6Very high58 Ų5894.1 Ų94.130%0.30445%0.451SS..Hα-helixtrans-65.3-36177.5-72.4172000112R359 L360 I361 A367 I475R359-L363 VanDerWaalsContact O-CG 3.32Å; R359-L363 WeakPolarHBondContact O-CG 3.32Å; R359-L363 PolarHBondContact O-N 3.12Å; L360-L363 PolarHBondContact O-N 3.07Å; I361-L363 PolarHBondContact O-N 3.35Å; L363-A367 VanDerWaalsContact O-CB 3.27Å; L363-A367 WeakPolarHBondContact O-CB 3.47Å; L363-A367 PolarHBondContact O-N 3.46Å; L363-I475 HydrophobicContact CD2-CG2 4.31Å
364Q90.4Very high91.6Very high125 Ų12589 Ų8958%0.58443%0.433SS*.Hα-helixtrans-66.6-42.7176.3-174.3173.9-15.700111.4L360 I361 Q362 A367 H368L360-Q364 WeakPolarHBondContact O-CB 3.3Å; L360-Q364 PolarHBondContact O-N 3.1Å; I361-Q364 WeakPolarHBondContact O-CB 3.45Å; I361-Q364 PolarHBondContact O-N 2.86Å; I361-Q364 VanDerWaalsContact O-N 3.16Å; Q362-Q364 VanDerWaalsContact C-N 3.31Å; Q362-Q364 PolarHBondContact O-N 3.01Å; Q364-A367 PolarHBondContact O-N 2.88Å; Q364-H368 WeakPolarHBondContact O-CB 3.27Å; Q364-H368 PolarHBondContact O-N 3.31Å
365D92.1Very high91.6Very high96 Ų9690.4 Ų90.451%0.51344%0.44SS..Hα-helixtrans-65.6-43.6175.5-71.6-17.1000111.5I361 Q362 A367 H368 M369I361-D365 PolarHBondContact O-N 3.34Å; Q362-D365 PolarHBondContact O-N 3.38Å; D365-A367 VanDerWaalsContact C-N 3.33Å; D365-A367 PolarHBondContact O-N 3.47Å; D365-H368 PolarHBondContact O-N 3.31Å; D365-M369 WeakPolarHBondContact O-CB 3.5Å; D365-M369 VanDerWaalsContact O-CG 3.31Å; D365-M369 WeakPolarHBondContact O-CG 3.47Å; D365-M369 PolarHBondContact O-N 3.2Å
366E90.1Very high91.6Very high64 Ų6491.3 Ų91.330%0.29944%0.438SS..Hα-helixtrans-60.7-41.8174.5-76.8-175.8-152.300111.7Q362 A370 K471 I475Q362-E366 PolarHBondContact NE2-OE1 3.49Å; Q362-E366 WeakPolarHBondContact O-CB 3.28Å; Q362-E366 WeakPolarHBondContact O-CG 3.46Å; Q362-E366 PolarHBondContact O-N 2.91Å; E366-A370 VanDerWaalsContact O-CB 3.3Å; E366-A370 WeakPolarHBondContact O-CB 3.46Å; E366-A370 PolarHBondContact O-N 3.18Å; E366-K471 IonicContact OE2-NZ 3.6Å; E366-I475 HydrophobicContact CB-CD1 3.94Å
367A90.4Very high91.5Very high28 Ų2886.6 Ų86.623%0.23141%0.414CS..Hα-helixtrans-66.6-42.3176.300000111.5L363 Q364 D365 A370 N371 L472 I475L363-A367 VanDerWaalsContact O-CB 3.27Å; L363-A367 WeakPolarHBondContact O-CB 3.47Å; L363-A367 PolarHBondContact O-N 3.46Å; Q364-A367 PolarHBondContact O-N 2.88Å; D365-A367 VanDerWaalsContact C-N 3.33Å; D365-A367 PolarHBondContact O-N 3.47Å; A367-A370 PolarHBondContact O-N 3.3Å; A367-N371 VanDerWaalsContact O-CB 3.29Å; A367-N371 WeakPolarHBondContact O-CB 3.39Å; A367-N371 PolarHBondContact O-N 2.88Å; A367-L472 HydrophobicContact CB-CD2 4.33Å; A367-L472 WeakPolarHBondContact O-CD2 3.49Å; A367-I475 HydrophobicContact CB-CD1 4.39Å; A367-I475 HydrophobicContact CB-CG2 4.34Å
368H92.3Very high91.5Very high105 Ų10585 Ų8549%0.48641%0.407SS..Hα-helixtrans-61.4-49.8177.5-173.462.5000111.2Q364 D365 A370 N371 E372Q364-H368 WeakPolarHBondContact O-CB 3.27Å; Q364-H368 PolarHBondContact O-N 3.31Å; D365-H368 PolarHBondContact O-N 3.31Å; H368-A370 VanDerWaalsContact C-N 3.34Å; H368-A370 PolarHBondContact O-N 3.19Å; H368-N371 PolarHBondContact O-N 3.15Å; H368-N371 VanDerWaalsContact O-N 3.15Å; H368-E372 IonicContact NE2-OE1 3.97Å; H368-E372 WeakPolarHBondContact O-CG 3.45Å; H368-E372 PolarHBondContact O-N 3.46Å
369M92.1Very high91.5Very high120 Ų12081.3 Ų81.359%0.59140%0.398SS*.Hα-helixtrans-58-44.1176.1-76.1-78.9-72.100112.4D365 N371 A373D365-M369 WeakPolarHBondContact O-CB 3.5Å; D365-M369 VanDerWaalsContact O-CG 3.31Å; D365-M369 WeakPolarHBondContact O-CG 3.47Å; D365-M369 PolarHBondContact O-N 3.2Å; M369-N371 VanDerWaalsContact C-N 3.35Å; M369-A373 VanDerWaalsContact O-CB 3.32Å; M369-A373 WeakPolarHBondContact O-CB 3.42Å; M369-A373 PolarHBondContact O-N 3.47Å
370A90.9Very high91.5Very high8 Ų877.7 Ų77.77%0.06639%0.392CS..Hα-helixtrans-66.4-37.2177.600000112E366 A367 H368 A373 L374 K471 L472E366-A370 VanDerWaalsContact O-CB 3.3Å; E366-A370 WeakPolarHBondContact O-CB 3.46Å; E366-A370 PolarHBondContact O-N 3.18Å; A367-A370 PolarHBondContact O-N 3.3Å; H368-A370 VanDerWaalsContact C-N 3.34Å; H368-A370 PolarHBondContact O-N 3.19Å; A370-A373 PolarHBondContact O-N 3.38Å; A370-L374 WeakPolarHBondContact O-CB 2.92Å; A370-L374 PolarHBondContact O-N 3.21Å; A370-K471 HydrophobicContact CB-CB 4.39Å; A370-K471 HydrophobicContact CB-CG 4.13Å; A370-L472 HydrophobicContact CB-CD2 3.75Å; A370-L472 HydrophobicContact CB-CG 3.83Å
371N91.6Very high91.7Very high86 Ų8672.8 Ų72.846%0.4637%0.367SS..Hα-helixtrans-69.8-41.2176.7-166.264.6000112.3A367 H368 M369 A373 L374 L375 L472A367-N371 VanDerWaalsContact O-CB 3.29Å; A367-N371 WeakPolarHBondContact O-CB 3.39Å; A367-N371 PolarHBondContact O-N 2.88Å; H368-N371 PolarHBondContact O-N 3.15Å; H368-N371 VanDerWaalsContact O-N 3.15Å; M369-N371 VanDerWaalsContact C-N 3.35Å; N371-A373 VanDerWaalsContact C-N 3.35Å; N371-L374 WeakPolarHBondContact O-CB 3.4Å; N371-L374 PolarHBondContact O-N 3.26Å; N371-L375 PolarHBondContact O-N 3.21Å; N371-L472 HydrophobicContact CB-CD1 4.46Å; N371-L472 HydrophobicContact CB-CD2 4.44Å
372E93Very high91.6Very high81 Ų8174.4 Ų74.438%0.37938%0.376SS..Hα-helixtrans-65.1-38.3173.3-73.3-164.6131.400112.4H368 L374 R376H368-E372 IonicContact NE2-OE1 3.97Å; H368-E372 WeakPolarHBondContact O-CG 3.45Å; H368-E372 PolarHBondContact O-N 3.46Å; E372-L374 VanDerWaalsContact C-N 3.34Å; E372-R376 WeakPolarHBondContact O-CB 3.32Å; E372-R376 WeakPolarHBondContact O-CG 3.35Å; E372-R376 PolarHBondContact O-N 3.45Å; E372-R376 PolarHBondContact O-NE 3Å
373A92Very high91.7Very high39 Ų3973.3 Ų73.332%0.32237%0.374SS..Hα-helixtrans-65.1-40.4174.600000111.2M369 A370 N371 S377 A468M369-A373 VanDerWaalsContact O-CB 3.32Å; M369-A373 WeakPolarHBondContact O-CB 3.42Å; M369-A373 PolarHBondContact O-N 3.47Å; A370-A373 PolarHBondContact O-N 3.38Å; N371-A373 VanDerWaalsContact C-N 3.35Å; A373-S377 VanDerWaalsContact O-CB 3.25Å; A373-S377 WeakPolarHBondContact O-CB 3.41Å; A373-S377 PolarHBondContact O-N 2.8Å; A373-A468 HydrophobicContact CB-CB 4.33Å
374L92.8Very high91.8Very high20 Ų2071.7 Ų71.711%0.10537%0.365CS..Hα-helixtrans-59.8-54.9174.5179.564.1000110.8A370 N371 E372 R376 S377 E378 E465 A468 K469 L472A370-L374 WeakPolarHBondContact O-CB 2.92Å; A370-L374 PolarHBondContact O-N 3.21Å; N371-L374 WeakPolarHBondContact O-CB 3.4Å; N371-L374 PolarHBondContact O-N 3.26Å; E372-L374 VanDerWaalsContact C-N 3.34Å; L374-R376 VanDerWaalsContact C-N 3.34Å; L374-R376 PolarHBondContact O-N 2.85Å; L374-S377 WeakPolarHBondContact O-CB 3.27Å; L374-S377 PolarHBondContact O-N 3.24Å; L374-E378 HydrophobicContact CD1-CG 4.29Å; L374-E378 HydrophobicContact CG-CG 4.48Å; L374-E378 WeakPolarHBondContact O-CG 3.25Å; L374-E378 PolarHBondContact O-N 3.45Å; L374-E465 HydrophobicContact CD1-CB 4.38Å; L374-E465 HydrophobicContact CD1-CG 3.45Å; L374-E465 VanDerWaalsContact CD1-CG 3.45Å; L374-A468 HydrophobicContact CB-CB 3.93Å; L374-A468 HydrophobicContact CD1-CB 4.35Å; L374-K469 HydrophobicContact CD1-CB 4.32Å; L374-L472 HydrophobicContact CD2-CD1 4Å
375L93.4Very high91.8Very high89 Ų8967.3 Ų67.347%0.46635%0.35SS..Hα-helixtrans-58.5-44.1-178.7-177.765.8000112.3N371 S377 E378 Q379N371-L375 PolarHBondContact O-N 3.21Å; L375-S377 VanDerWaalsContact C-N 3.32Å; L375-S377 PolarHBondContact O-N 3.37Å; L375-E378 PolarHBondContact O-N 2.98Å; L375-Q379 VanDerWaalsContact O-CG 3.31Å; L375-Q379 WeakPolarHBondContact O-CG 3.3Å; L375-Q379 PolarHBondContact O-N 2.86Å
376R93.1Very high91.9Very high142 Ų14268.3 Ų68.354%0.53635%0.352SS..Hα-helixtrans-62-40.9175.7-78-176.3-78.4-176.9-11.1112E372 L374 T380E372-R376 WeakPolarHBondContact O-CB 3.32Å; E372-R376 WeakPolarHBondContact O-CG 3.35Å; E372-R376 PolarHBondContact O-N 3.45Å; E372-R376 PolarHBondContact O-NE 3Å; L374-R376 VanDerWaalsContact C-N 3.34Å; L374-R376 PolarHBondContact O-N 2.85Å; R376-T380 WeakPolarHBondContact O-CB 3.31Å; R376-T380 PolarHBondContact O-N 3.09Å; R376-T380 PolarHBondContact O-OG1 2.92Å
377S90.4Very high92Very high10 Ų1070.3 Ų70.37%0.0736%0.36CS..Hα-helixtrans-69-40.1180-160.40000112A373 L374 L375 T380 A381 A461 S464 E465A373-S377 VanDerWaalsContact O-CB 3.25Å; A373-S377 WeakPolarHBondContact O-CB 3.41Å; A373-S377 PolarHBondContact O-N 2.8Å; L374-S377 WeakPolarHBondContact O-CB 3.27Å; L374-S377 PolarHBondContact O-N 3.24Å; L375-S377 VanDerWaalsContact C-N 3.32Å; L375-S377 PolarHBondContact O-N 3.37Å; S377-T380 PolarHBondContact O-N 3.2Å; S377-A381 WeakPolarHBondContact O-CB 3.32Å; S377-A381 PolarHBondContact O-N 2.97Å; S377-A461 PolarHBondContact OG-O 2.95Å; S377-S464 PolarHBondContact OG-OG 3.18Å; S377-E465 PolarHBondContact OG-N 2.89Å; S377-E465 VanDerWaalsContact OG-N 3.09Å
378E89.8Confident92.1Very high75 Ų7569.2 Ų69.235%0.3535%0.351SS..Hα-helixtrans-61-51.6174.5-73.2178.1167.100110.7L374 L375 T380 A381 D382 E465L374-E378 HydrophobicContact CD1-CG 4.29Å; L374-E378 HydrophobicContact CG-CG 4.48Å; L374-E378 WeakPolarHBondContact O-CG 3.25Å; L374-E378 PolarHBondContact O-N 3.45Å; L375-E378 PolarHBondContact O-N 2.98Å; E378-T380 VanDerWaalsContact C-N 3.28Å; E378-T380 PolarHBondContact O-N 2.99Å; E378-A381 PolarHBondContact O-N 3.45Å; E378-A381 VanDerWaalsContact O-N 3.11Å; E378-D382 PolarHBondContact O-N 3.24Å; E378-E465 HydrophobicContact CG-CG 3.89Å
379Q92.7Very high92.1Very high114 Ų11469.7 Ų69.753%0.53335%0.353SS..Hα-helixtrans-58.7-39.3177.4-71.6175.2-10.900112.7L375 L383L375-Q379 VanDerWaalsContact O-CG 3.31Å; L375-Q379 WeakPolarHBondContact O-CG 3.3Å; L375-Q379 PolarHBondContact O-N 2.86Å; Q379-L383 WeakPolarHBondContact O-CB 3.44Å; Q379-L383 PolarHBondContact O-N 3.4Å; Q379-L383 VanDerWaalsContact O-N 3.14Å
380T91.7Very high92.2Very high71 Ų7167.8 Ų67.844%0.43634%0.344SS..Hα-helixtrans-67.8-41.9177.3-56.10000111R376 S377 E378 L383 L384 A461R376-T380 WeakPolarHBondContact O-CB 3.31Å; R376-T380 PolarHBondContact O-N 3.09Å; R376-T380 PolarHBondContact O-OG1 2.92Å; S377-T380 PolarHBondContact O-N 3.2Å; E378-T380 VanDerWaalsContact C-N 3.28Å; E378-T380 PolarHBondContact O-N 2.99Å; T380-L383 PolarHBondContact O-N 2.74Å; T380-L384 HydrophobicContact CG2-CD1 3.84Å; T380-L384 HydrophobicContact CG2-CG 4.35Å; T380-L384 WeakPolarHBondContact O-CB 3.48Å; T380-L384 VanDerWaalsContact O-CG 3.24Å; T380-L384 WeakPolarHBondContact O-CG 3.39Å; T380-L384 PolarHBondContact O-N 2.99Å; T380-A461 HydrophobicContact CG2-CB 4.44Å
381A91.9Very high92.1Very high4 Ų467.6 Ų67.63%0.03334%0.343CS..Hα-helixtrans-64-42.7177.100000111.8S377 E378 L384 A385 L458 A461 R462S377-A381 WeakPolarHBondContact O-CB 3.32Å; S377-A381 PolarHBondContact O-N 2.97Å; E378-A381 PolarHBondContact O-N 3.45Å; E378-A381 VanDerWaalsContact O-N 3.11Å; A381-L384 PolarHBondContact O-N 3.31Å; A381-A385 VanDerWaalsContact O-CB 3.3Å; A381-A385 WeakPolarHBondContact O-CB 3.41Å; A381-A385 PolarHBondContact O-N 2.84Å; A381-L458 HydrophobicContact CB-CD1 3.88Å; A381-L458 WeakPolarHBondContact O-CD1 3.41Å; A381-A461 HydrophobicContact CB-CB 4.11Å; A381-R462 HydrophobicContact CB-CG 4.46Å
382D91.4Very high92.1Very high117 Ų11766.4 Ų66.463%0.62633%0.334SS*.Hα-helixtrans-61.9-46.4177.5-72.4-20000111.5E378 L384 A385 E386E378-D382 PolarHBondContact O-N 3.24Å; D382-L384 PolarHBondContact O-N 2.93Å; D382-A385 PolarHBondContact O-N 3.29Å; D382-E386 PolarHBondContact O-N 3.44Å
383L93.3Very high92.1Very high87 Ų8767.6 Ų67.646%0.45534%0.34SS..Hα-helixtrans-63.7-42.1177.7-176.468.5000112.3Q379 T380 E386 K387Q379-L383 WeakPolarHBondContact O-CB 3.44Å; Q379-L383 PolarHBondContact O-N 3.4Å; Q379-L383 VanDerWaalsContact O-N 3.14Å; T380-L383 PolarHBondContact O-N 2.74Å; L383-E386 PolarHBondContact O-N 2.96Å; L383-K387 HydrophobicContact CG-CD 4.39Å; L383-K387 WeakPolarHBondContact O-CB 3.4Å; L383-K387 WeakPolarHBondContact O-CG 3.31Å; L383-K387 PolarHBondContact O-N 2.91Å
384L92.5Very high92Very high24 Ų2469.3 Ų69.313%0.12634%0.342CS..Hα-helixtrans-67.3-37177.7-73.5171.9000111.6T380 A381 D382 A388 L454 D457 L458 A461T380-L384 HydrophobicContact CG2-CD1 3.84Å; T380-L384 HydrophobicContact CG2-CG 4.35Å; T380-L384 WeakPolarHBondContact O-CB 3.48Å; T380-L384 VanDerWaalsContact O-CG 3.24Å; T380-L384 WeakPolarHBondContact O-CG 3.39Å; T380-L384 PolarHBondContact O-N 2.99Å; A381-L384 PolarHBondContact O-N 3.31Å; D382-L384 PolarHBondContact O-N 2.93Å; L384-A388 WeakPolarHBondContact O-CB 3.45Å; L384-A388 PolarHBondContact O-N 3.31Å; L384-L454 HydrophobicContact CD2-CD2 3.82Å; L384-D457 HydrophobicContact CD1-CB 4.01Å; L384-D457 HydrophobicContact CD2-CB 4.28Å; L384-L458 HydrophobicContact CB-CB 4.13Å; L384-L458 HydrophobicContact CB-CD1 4.15Å; L384-A461 HydrophobicContact CD1-CB 4.15Å
385A91.6Very high91.9Very high33 Ų3368.8 Ų68.827%0.27334%0.34SS..Hα-helixtrans-64.1-45.1175.500000111.6A381 D382 A388 Q389 L458A381-A385 VanDerWaalsContact O-CB 3.3Å; A381-A385 WeakPolarHBondContact O-CB 3.41Å; A381-A385 PolarHBondContact O-N 2.84Å; D382-A385 PolarHBondContact O-N 3.29Å; A385-A388 PolarHBondContact O-N 3.28Å; A385-Q389 WeakPolarHBondContact O-CB 3.31Å; A385-Q389 PolarHBondContact O-N 2.9Å; A385-L458 HydrophobicContact CB-CD1 4.13Å; A385-L458 HydrophobicContact CB-CD2 4.02Å
386E93.1Very high91.8Very high118 Ų11870.3 Ų70.355%0.55134%0.343SS*.Hα-helixtrans-62.1-47.6176.1-171.8-179.6-175.500111.2D382 L383 A388 Q389 I390D382-E386 PolarHBondContact O-N 3.44Å; L383-E386 PolarHBondContact O-N 2.96Å; E386-A388 PolarHBondContact O-N 3.39Å; E386-Q389 PolarHBondContact O-N 3.39Å; E386-I390 HydrophobicContact CG-CD1 4.03Å; E386-I390 WeakPolarHBondContact O-CG1 3.45Å; E386-I390 PolarHBondContact O-N 3.4Å
387K92.9Very high91.8Very high106 Ų10667.6 Ų67.646%0.46134%0.338SS..Hα-helixtrans-61.7-42.9177.3-74.4-179.7177.2-176.30112.8L383 Q389 I390 A391 L454L383-K387 HydrophobicContact CG-CD 4.39Å; L383-K387 WeakPolarHBondContact O-CB 3.4Å; L383-K387 WeakPolarHBondContact O-CG 3.31Å; L383-K387 PolarHBondContact O-N 2.91Å; K387-Q389 VanDerWaalsContact C-N 3.32Å; K387-I390 PolarHBondContact O-N 3.33Å; K387-A391 WeakPolarHBondContact O-CB 3.34Å; K387-A391 PolarHBondContact O-N 2.91Å; K387-L454 HydrophobicContact CB-CD1 3.99Å; K387-L454 HydrophobicContact CB-CD2 4.36Å
388A92.2Very high91.8Very high5 Ų568.4 Ų68.44%0.04134%0.342CS..Hα-helixtrans-63.5-40.3177.900000111.3L384 A385 E386 E392 L454 K455L384-A388 WeakPolarHBondContact O-CB 3.45Å; L384-A388 PolarHBondContact O-N 3.31Å; A385-A388 PolarHBondContact O-N 3.28Å; E386-A388 PolarHBondContact O-N 3.39Å; A388-E392 VanDerWaalsContact O-CB 3.31Å; A388-E392 WeakPolarHBondContact O-CB 3.41Å; A388-E392 PolarHBondContact O-N 3.48Å; A388-L454 HydrophobicContact CB-CB 3.86Å; A388-K455 HydrophobicContact CB-CG 4.26Å
389Q92.5Very high91.7Very high115 Ų11566.9 Ų66.954%0.53734%0.342SS..Hα-helixtrans-64.4-47.5176.3-176.2178.5-900111.4A385 E386 K387 A391 E392 E393A385-Q389 WeakPolarHBondContact O-CB 3.31Å; A385-Q389 PolarHBondContact O-N 2.9Å; E386-Q389 PolarHBondContact O-N 3.39Å; K387-Q389 VanDerWaalsContact C-N 3.32Å; Q389-A391 PolarHBondContact O-N 3.21Å; Q389-E392 PolarHBondContact O-N 3.34Å; Q389-E393 HydrophobicContact CG-CG 4.45Å; Q389-E393 WeakPolarHBondContact CG-OE1 3.48Å; Q389-E393 PolarHBondContact NE2-OE1 2.95Å; Q389-E393 WeakPolarHBondContact O-CB 3.43Å; Q389-E393 WeakPolarHBondContact O-CG 3.44Å; Q389-E393 PolarHBondContact O-N 2.89Å
390I93Very high91.6Very high79 Ų7966.7 Ų66.741%0.40534%0.341SS..Hα-helixtrans-59.1-49.5177.4-67.3166.7000110.3E386 K387 E392 E393 E394E386-I390 HydrophobicContact CG-CD1 4.03Å; E386-I390 WeakPolarHBondContact O-CG1 3.45Å; E386-I390 PolarHBondContact O-N 3.4Å; K387-I390 PolarHBondContact O-N 3.33Å; I390-E392 VanDerWaalsContact C-N 3.3Å; I390-E392 PolarHBondContact O-N 3.49Å; I390-E393 PolarHBondContact O-N 3.36Å; I390-E394 HydrophobicContact CG2-CG 4.24Å; I390-E394 WeakPolarHBondContact O-CB 3.37Å; I390-E394 VanDerWaalsContact O-CG 3.27Å; I390-E394 WeakPolarHBondContact O-CG 3.29Å; I390-E394 PolarHBondContact O-N 2.99Å
391A89.9Confident91.5Very high4 Ų468 Ų683%0.03334%0.341CS..Hα-helixtrans-62-36.5179.900000112.6K387 Q389 A395 A451 L454K387-A391 WeakPolarHBondContact O-CB 3.34Å; K387-A391 PolarHBondContact O-N 2.91Å; Q389-A391 PolarHBondContact O-N 3.21Å; A391-A395 VanDerWaalsContact O-CB 3.3Å; A391-A395 WeakPolarHBondContact O-CB 3.35Å; A391-A395 PolarHBondContact O-N 3.34Å; A391-A451 HydrophobicContact CB-CB 3.88Å; A391-L454 HydrophobicContact CB-CD1 4.24Å
392E91.2Very high91.2Very high61 Ų6168 Ų6829%0.28534%0.341SS..Hα-helixtrans-69.6-42.5175.3-175176.9159.900112.3A388 Q389 I390 A395 K396 A451 K455A388-E392 VanDerWaalsContact O-CB 3.31Å; A388-E392 WeakPolarHBondContact O-CB 3.41Å; A388-E392 PolarHBondContact O-N 3.48Å; Q389-E392 PolarHBondContact O-N 3.34Å; I390-E392 VanDerWaalsContact C-N 3.3Å; I390-E392 PolarHBondContact O-N 3.49Å; E392-A395 PolarHBondContact O-N 3.24Å; E392-K396 HydrophobicContact CG-CD 4.42Å; E392-K396 WeakPolarHBondContact O-CB 3.29Å; E392-K396 WeakPolarHBondContact O-CG 3.28Å; E392-K396 PolarHBondContact O-N 2.97Å; E392-K396 VanDerWaalsContact OE1-CE 3.26Å; E392-K396 WeakPolarHBondContact OE1-CE 3.48Å; E392-K396 IonicContact OE1-NZ 3.21Å; E392-K396 PolarHBondContact OE1-NZ 3.49Å; E392-A451 HydrophobicContact CB-CB 4.32Å; E392-K455 VanDerWaalsContact OE2-CE 3.31Å; E392-K455 WeakPolarHBondContact OE2-CE 3.39Å; E392-K455 IonicContact OE2-NZ 2.82Å; E392-K455 PolarHBondContact OE2-NZ 3.46Å
393E92.6Very high91Very high107 Ų10764.8 Ų64.850%0.533%0.33SS..Hα-helixtrans-64.7-41.7175.7-74.5179.1-169.300111.5Q389 I390 K396 L397Q389-E393 HydrophobicContact CG-CG 4.45Å; Q389-E393 WeakPolarHBondContact CG-OE1 3.48Å; Q389-E393 PolarHBondContact NE2-OE1 2.95Å; Q389-E393 WeakPolarHBondContact O-CB 3.43Å; Q389-E393 WeakPolarHBondContact O-CG 3.44Å; Q389-E393 PolarHBondContact O-N 2.89Å; I390-E393 PolarHBondContact O-N 3.36Å; E393-K396 PolarHBondContact O-N 2.94Å; E393-L397 WeakPolarHBondContact O-CB 3.45Å; E393-L397 PolarHBondContact O-N 2.91Å
394E90.8Very high90.7Very high75 Ų7565.5 Ų65.535%0.3533%0.332SS..Hα-helixtrans-64-43.6174.4-72.2177.7126.300112I390 L397 L398 R447I390-E394 HydrophobicContact CG2-CG 4.24Å; I390-E394 WeakPolarHBondContact O-CB 3.37Å; I390-E394 VanDerWaalsContact O-CG 3.27Å; I390-E394 WeakPolarHBondContact O-CG 3.29Å; I390-E394 PolarHBondContact O-N 2.99Å; E394-L397 PolarHBondContact O-N 3.46Å; E394-L398 WeakPolarHBondContact O-CB 3.49Å; E394-L398 VanDerWaalsContact O-CG 3.31Å; E394-L398 WeakPolarHBondContact O-CG 3.36Å; E394-L398 PolarHBondContact O-N 3.45Å; E394-R447 IonicContact OE1-NH1 3.74Å; E394-R447 PolarHBondContact OE1-NH1 3.43Å; E394-R447 IonicContact OE2-CZ 3.92Å; E394-R447 IonicContact OE2-NH1 3.85Å; E394-R447 PolarHBondContact OE2-NH1 2.97Å
395A90.7Very high90.2Very high8 Ų866 Ų667%0.06634%0.339CS..Hα-helixtrans-60.5-45.6174.400000111.1A391 E392 L397 L398 A399 S444 R447 A448A391-A395 VanDerWaalsContact O-CB 3.3Å; A391-A395 WeakPolarHBondContact O-CB 3.35Å; A391-A395 PolarHBondContact O-N 3.34Å; E392-A395 PolarHBondContact O-N 3.24Å; A395-L397 PolarHBondContact O-N 2.9Å; A395-L398 PolarHBondContact O-N 2.94Å; A395-A399 VanDerWaalsContact O-CB 3.31Å; A395-A399 WeakPolarHBondContact O-CB 3.48Å; A395-A399 PolarHBondContact O-N 2.93Å; A395-S444 PolarHBondContact O-OG 3.24Å; A395-S444 VanDerWaalsContact O-OG 3.06Å; A395-R447 HydrophobicContact CB-CB 3.88Å; A395-A448 HydrophobicContact CB-CB 4.26Å
396K91.6Very high89.8Confident122 Ų12268.8 Ų68.853%0.5335%0.347SS..Hα-helixtrans-61.2-43.4176.4-77173.6-173.7165.40112.2E392 E393 A399 Q400E392-K396 HydrophobicContact CG-CD 4.42Å; E392-K396 WeakPolarHBondContact O-CB 3.29Å; E392-K396 WeakPolarHBondContact O-CG 3.28Å; E392-K396 PolarHBondContact O-N 2.97Å; E392-K396 VanDerWaalsContact OE1-CE 3.26Å; E392-K396 WeakPolarHBondContact OE1-CE 3.48Å; E392-K396 IonicContact OE1-NZ 3.21Å; E392-K396 PolarHBondContact OE1-NZ 3.49Å; E393-K396 PolarHBondContact O-N 2.94Å; K396-A399 PolarHBondContact O-N 3.4Å; K396-Q400 WeakPolarHBondContact O-CB 3.35Å; K396-Q400 PolarHBondContact O-N 2.98Å
397L92.6Very high89.3Confident85 Ų8567.1 Ų67.145%0.44534%0.344SS..Hα-helixtrans-65.7-42179-17764.6000111.6E393 E394 A395 Q400 K401E393-L397 WeakPolarHBondContact O-CB 3.45Å; E393-L397 PolarHBondContact O-N 2.91Å; E394-L397 PolarHBondContact O-N 3.46Å; A395-L397 PolarHBondContact O-N 2.9Å; L397-Q400 PolarHBondContact O-N 3.4Å; L397-K401 HydrophobicContact CG-CD 4.48Å; L397-K401 WeakPolarHBondContact O-CB 3.29Å; L397-K401 WeakPolarHBondContact O-CG 3.2Å; L397-K401 PolarHBondContact O-N 2.96Å
398L90.5Very high88.6Confident27 Ų2766.3 Ų66.314%0.14134%0.342CS..Hα-helixtrans-65.6-42.3175.8-73.5169.6000111.6E394 A395 K401 A402 M440 E443 R447E394-L398 WeakPolarHBondContact O-CB 3.49Å; E394-L398 VanDerWaalsContact O-CG 3.31Å; E394-L398 WeakPolarHBondContact O-CG 3.36Å; E394-L398 PolarHBondContact O-N 3.45Å; A395-L398 PolarHBondContact O-N 2.94Å; L398-K401 PolarHBondContact O-N 3.49Å; L398-A402 WeakPolarHBondContact O-CB 3.23Å; L398-A402 PolarHBondContact O-N 3.38Å; L398-M440 HydrophobicContact CD2-CE 4.13Å; L398-E443 HydrophobicContact CD1-CB 4.33Å; L398-E443 HydrophobicContact CD1-CG 3.82Å; L398-R447 HydrophobicContact CD1-CG 4.35Å
399A88.2Confident87.6Confident43 Ų4367.9 Ų67.936%0.35535%0.349SS..Hα-helixtrans-61.4-43.7173.900000112.1A395 K396 A402 A403A395-A399 VanDerWaalsContact O-CB 3.31Å; A395-A399 WeakPolarHBondContact O-CB 3.48Å; A395-A399 PolarHBondContact O-N 2.93Å; K396-A399 PolarHBondContact O-N 3.4Å; A399-A402 PolarHBondContact O-N 3.08Å; A399-A403 WeakPolarHBondContact O-CB 3.37Å; A399-A403 PolarHBondContact O-N 3.46Å
400Q90.5Very high86.7Confident110 Ų11067.7 Ų67.751%0.51435%0.348SS..Hα-helixtrans-62.4-47.3176.6-177.3-179.2-6.400111.1K396 L397 A402 A403 E404K396-Q400 WeakPolarHBondContact O-CB 3.35Å; K396-Q400 PolarHBondContact O-N 2.98Å; L397-Q400 PolarHBondContact O-N 3.4Å; Q400-A402 VanDerWaalsContact C-N 3.32Å; Q400-A402 PolarHBondContact O-N 2.87Å; Q400-A403 PolarHBondContact O-N 3.1Å; Q400-E404 HydrophobicContact CG-CG 4.47Å; Q400-E404 WeakPolarHBondContact CG-OE1 3.24Å; Q400-E404 PolarHBondContact NE2-OE1 2.8Å; Q400-E404 WeakPolarHBondContact O-CB 3.5Å; Q400-E404 WeakPolarHBondContact O-CG 3.08Å; Q400-E404 PolarHBondContact O-N 2.95Å
401K88.8Confident85.8Confident97 Ų9771.8 Ų71.842%0.42236%0.359SS..Hα-helixtrans-63.7-36.7177.3-73176.7-179.5176.80112.5L397 L398 A405 M440L397-K401 HydrophobicContact CG-CD 4.48Å; L397-K401 WeakPolarHBondContact O-CB 3.29Å; L397-K401 WeakPolarHBondContact O-CG 3.2Å; L397-K401 PolarHBondContact O-N 2.96Å; L398-K401 PolarHBondContact O-N 3.49Å; K401-A405 WeakPolarHBondContact O-CB 3.35Å; K401-A405 PolarHBondContact O-N 3.42Å; K401-M440 HydrophobicContact CB-CE 3.28Å; K401-M440 HydrophobicContact CD-CE 3.71Å; K401-M440 HydrophobicContact CG-CE 4.15Å
402A86Confident84.9Confident5 Ų574.6 Ų74.64%0.04137%0.372CS..Hα-helixtrans-63.9-45.2173.800000111.1L398 A399 Q400 A405 E406 M440 A441L398-A402 WeakPolarHBondContact O-CB 3.23Å; L398-A402 PolarHBondContact O-N 3.38Å; A399-A402 PolarHBondContact O-N 3.08Å; Q400-A402 VanDerWaalsContact C-N 3.32Å; Q400-A402 PolarHBondContact O-N 2.87Å; A402-A405 PolarHBondContact O-N 2.83Å; A402-E406 WeakPolarHBondContact O-CG 3.14Å; A402-E406 PolarHBondContact O-N 2.89Å; A402-M440 HydrophobicContact CB-CB 4.09Å; A402-A441 HydrophobicContact CB-CB 4.43Å
403A86.9Confident83.8Confident49 Ų4978.6 Ų78.641%0.40539%0.389SS..Hα-helixtrans-63.5-42.517600000112.4A399 Q400 E406 T407A399-A403 WeakPolarHBondContact O-CB 3.37Å; A399-A403 PolarHBondContact O-N 3.46Å; Q400-A403 PolarHBondContact O-N 3.1Å; A403-E406 PolarHBondContact O-N 3.48Å; A403-T407 WeakPolarHBondContact O-CG2 3.13Å; A403-T407 PolarHBondContact O-N 2.97Å; A403-T407 PolarHBondContact O-OG1 2.97Å
404E86.7Confident82.5Confident103 Ų10379 Ų7948%0.48140%0.399SS..Hα-helixtrans-60.8-44.8174.3-74.5173.1-169.200111.1Q400 E406 T407 E408Q400-E404 HydrophobicContact CG-CG 4.47Å; Q400-E404 WeakPolarHBondContact CG-OE1 3.24Å; Q400-E404 PolarHBondContact NE2-OE1 2.8Å; Q400-E404 WeakPolarHBondContact O-CB 3.5Å; Q400-E404 WeakPolarHBondContact O-CG 3.08Å; Q400-E404 PolarHBondContact O-N 2.95Å; E404-E406 VanDerWaalsContact C-N 3.35Å; E404-E406 PolarHBondContact O-N 3.24Å; E404-T407 WeakPolarHBondContact CA-OG1 3.29Å; E404-T407 PolarHBondContact O-N 3.44Å; E404-T407 PolarHBondContact O-OG1 3.44Å; E404-E408 PolarHBondContact O-N 3.38Å
405A82.3Confident81.3Confident34 Ų3480.6 Ų80.628%0.28141%0.413SS..Hα-helixtrans-61.2-39.4175.300000112.7K401 A402 M409 A437K401-A405 WeakPolarHBondContact O-CB 3.35Å; K401-A405 PolarHBondContact O-N 3.42Å; A402-A405 PolarHBondContact O-N 2.83Å; A405-M409 VanDerWaalsContact O-CB 3.32Å; A405-M409 WeakPolarHBondContact O-CB 3.35Å; A405-M409 PolarHBondContact O-N 3.39Å; A405-A437 HydrophobicContact CB-CB 4.15Å
406E82Confident79.7Confident92 Ų9282.2 Ų82.243%0.4343%0.427SS..Hα-helixtrans-65.6-42174-76.3-178.9-176.900112.7A402 A403 E404 M409 Q410 A437A402-E406 WeakPolarHBondContact O-CG 3.14Å; A402-E406 PolarHBondContact O-N 2.89Å; A403-E406 PolarHBondContact O-N 3.48Å; E404-E406 VanDerWaalsContact C-N 3.35Å; E404-E406 PolarHBondContact O-N 3.24Å; E406-M409 WeakPolarHBondContact O-CB 3.27Å; E406-M409 PolarHBondContact O-N 3.48Å; E406-Q410 WeakPolarHBondContact O-CG 3.49Å; E406-Q410 PolarHBondContact O-N 2.98Å; E406-A437 HydrophobicContact CG-CB 4.35Å
407T83.6Confident77.9Confident82 Ų8284.2 Ų84.250%0.50344%0.44SS..Hα-helixtrans-66.1-39.7177.659.70000112A403 E404 Q410 R411A403-T407 WeakPolarHBondContact O-CG2 3.13Å; A403-T407 PolarHBondContact O-N 2.97Å; A403-T407 PolarHBondContact O-OG1 2.97Å; E404-T407 WeakPolarHBondContact CA-OG1 3.29Å; E404-T407 PolarHBondContact O-N 3.44Å; E404-T407 PolarHBondContact O-OG1 3.44Å; T407-Q410 PolarHBondContact O-N 3.12Å; T407-R411 WeakPolarHBondContact O-CB 3.4Å; T407-R411 PolarHBondContact O-N 2.95Å
408E77.8Confident76.1Confident90 Ų9091.1 Ų91.142%0.42146%0.46SS..Hα-helixtrans-68.4-39.3175.7-171.157.8-151.200110.9E404 Q410 R411 I412E404-E408 PolarHBondContact O-N 3.38Å; E408-Q410 VanDerWaalsContact C-N 3.34Å; E408-Q410 PolarHBondContact O-N 3.45Å; E408-R411 WeakPolarHBondContact O-CB 3.48Å; E408-R411 PolarHBondContact O-N 3.28Å; E408-R411 IonicContact OE2-NH1 3.5Å; E408-I412 HydrophobicContact CG-CD1 4.09Å; E408-I412 WeakPolarHBondContact O-CB 3.4Å; E408-I412 VanDerWaalsContact O-CG1 3.24Å; E408-I412 WeakPolarHBondContact O-CG1 3.43Å; E408-I412 PolarHBondContact O-N 3.09Å
409M72.4Confident74.6Confident37 Ų3792.3 Ų92.318%0.18248%0.479CS..Hα-helixtrans-57.4-45.1171179.1-175.365.700111.8A405 E406 R411 I412 K413 M430 E434A405-M409 VanDerWaalsContact O-CB 3.32Å; A405-M409 WeakPolarHBondContact O-CB 3.35Å; A405-M409 PolarHBondContact O-N 3.39Å; E406-M409 WeakPolarHBondContact O-CB 3.27Å; E406-M409 PolarHBondContact O-N 3.48Å; M409-R411 VanDerWaalsContact C-N 3.35Å; M409-I412 PolarHBondContact O-N 3.41Å; M409-K413 WeakPolarHBondContact O-CB 3.35Å; M409-K413 PolarHBondContact O-N 2.89Å; M409-M430 HydrophobicContact CG-CG 3.95Å; M409-M430 HydrophobicContact SD-CG 4.16Å; M409-E434 HydrophobicContact SD-CB 3.93Å; M409-E434 HydrophobicContact SD-CG 4.38Å
410Q73.3Confident73.1Confident111 Ų11199.1 Ų99.152%0.51950%0.503SS..Hα-helixtrans-64.9-38.4177-73.9166.30.400112.1E406 T407 E408 K413 V414E406-Q410 WeakPolarHBondContact O-CG 3.49Å; E406-Q410 PolarHBondContact O-N 2.98Å; T407-Q410 PolarHBondContact O-N 3.12Å; E408-Q410 VanDerWaalsContact C-N 3.34Å; E408-Q410 PolarHBondContact O-N 3.45Å; Q410-K413 WeakPolarHBondContact O-CB 3.45Å; Q410-K413 PolarHBondContact O-N 2.92Å; Q410-V414 WeakPolarHBondContact O-CG2 3.43Å; Q410-V414 PolarHBondContact O-N 3.48Å; Q410-V414 VanDerWaalsContact O-N 3.12Å
411R74.2Confident71.6Confident166 Ų166101 Ų10163%0.62651%0.512SS*.Hα-helixtrans-63.6-48.8176.1-168.7-177.1-175.4179.61.9111.7T407 E408 M409 K413 V414 T415T407-R411 WeakPolarHBondContact O-CB 3.4Å; T407-R411 PolarHBondContact O-N 2.95Å; E408-R411 WeakPolarHBondContact O-CB 3.48Å; E408-R411 PolarHBondContact O-N 3.28Å; E408-R411 IonicContact OE2-NH1 3.5Å; M409-R411 VanDerWaalsContact C-N 3.35Å; R411-K413 VanDerWaalsContact C-N 3.29Å; R411-K413 PolarHBondContact O-N 3.33Å; R411-V414 PolarHBondContact O-N 3.19Å; R411-T415 PolarHBondContact O-N 3.49Å; R411-T415 VanDerWaalsContact O-N 3.13Å; R411-T415 PolarHBondContact O-OG1 2.92Å; R411-T415 VanDerWaalsContact O-OG1 3.06Å
412I70.9Confident70.2Confident62 Ų62103.2 Ų103.232%0.31852%0.524SS..Hα-helixtrans-55.1-45174.8-74.4173.8000110.4E408 M409 V414 T415 A416 M426E408-I412 HydrophobicContact CG-CD1 4.09Å; E408-I412 WeakPolarHBondContact O-CB 3.4Å; E408-I412 VanDerWaalsContact O-CG1 3.24Å; E408-I412 WeakPolarHBondContact O-CG1 3.43Å; E408-I412 PolarHBondContact O-N 3.09Å; M409-I412 PolarHBondContact O-N 3.41Å; I412-V414 PolarHBondContact O-N 3.26Å; I412-T415 PolarHBondContact O-N 3.36Å; I412-T415 PolarHBondContact O-OG1 3.29Å; I412-A416 PolarHBondContact O-N 3.38Å; I412-M426 HydrophobicContact CB-CE 4.31Å; I412-M426 HydrophobicContact CG2-CE 3.29Å; I412-M426 HydrophobicContact CG2-CG 4.3Å; I412-M426 WeakPolarHBondContact O-CE 3.44Å
413K66.6Low69.1Low146 Ų146110.6 Ų110.664%0.63555%0.551SS**Hα-helixtrans-60.8-38.8177.3-174.6176.8-178.2174.80113.7M409 Q410 R411M409-K413 WeakPolarHBondContact O-CB 3.35Å; M409-K413 PolarHBondContact O-N 2.89Å; Q410-K413 WeakPolarHBondContact O-CB 3.45Å; Q410-K413 PolarHBondContact O-N 2.92Å; R411-K413 VanDerWaalsContact C-N 3.29Å; R411-K413 PolarHBondContact O-N 3.33Å
414V66.9Low68.1Low116 Ų116117.4 Ų117.470%0.70357%0.566SS**Hα-helixtrans-74.9-33.9179.7173.20000112Q410 R411 I412Q410-V414 WeakPolarHBondContact O-CG2 3.43Å; Q410-V414 PolarHBondContact O-N 3.48Å; Q410-V414 VanDerWaalsContact O-N 3.12Å; R411-V414 PolarHBondContact O-N 3.19Å; I412-V414 PolarHBondContact O-N 3.26Å
415T64.2Low67.2Low107 Ų107117.5 Ų117.566%0.65657%0.568SS**Hα-helixtrans-78.2-14.7-179.645.70000115.1R411 I412 M417R411-T415 PolarHBondContact O-N 3.49Å; R411-T415 VanDerWaalsContact O-N 3.13Å; R411-T415 PolarHBondContact O-OG1 2.92Å; R411-T415 VanDerWaalsContact O-OG1 3.06Å; I412-T415 PolarHBondContact O-N 3.36Å; I412-T415 PolarHBondContact O-OG1 3.29Å; T415-M417 VanDerWaalsContact C-N 3.3Å; T415-M417 PolarHBondContact O-N 3.1Å; T415-M417 VanDerWaalsContact O-N 3.14Å
416A57.3Low66.4Low42 Ų42118.8 Ų118.835%0.34757%0.569SS.*  trans-82.423.5-170.300000116.4I412 R418 M426I412-A416 PolarHBondContact O-N 3.38Å; A416-R418 PolarHBondContact O-N 3.41Å; A416-M426 HydrophobicContact CB-CE 3.72Å; A416-M426 HydrophobicContact CB-SD 3.43Å; A416-M426 WeakPolarHBondContact CB-SD 3.4Å
417M53.2Low65.9Low165 Ų165118.6 Ų118.681%0.81357%0.569SS**  trans-93.343.2-171.6-75.2-73.3-75.200114.8T415T415-M417 VanDerWaalsContact C-N 3.3Å; T415-M417 PolarHBondContact O-N 3.1Å; T415-M417 VanDerWaalsContact O-N 3.14Å
418R55.4Low65.5Low230 Ų230120.4 Ų120.487%0.86857%0.571SS**SBendtrans-152.492172.5-93.1-177.5178.4177.6-1.1112.7A416A416-R418 PolarHBondContact O-N 3.41Å
419G58.4Low65.3Low52 Ų52122.7 Ų122.754%0.53658%0.58SS.*  trans127.5141.3166.200000115.3
420Q57.9Low65.4Low186 Ų186123.6 Ų123.687%0.86958%0.584SS**THydrogen-bonded Turntrans-81.5-28.9-172.5-137.117815.200113.9
421E58.1Low65.6Low149 Ų149123.4 Ų123.470%0.69659%0.586SS**THydrogen-bonded Turntrans-88.7-37.5-176-168.464.1-168.400113.1R423 R424E421-R423 PolarHBondContact O-N 2.93Å; E421-R424 PolarHBondContact O-N 3.11Å
422E59.4Low65.8Low143 Ų143120.4 Ų120.467%0.66858%0.579SS**Hα-helixtrans-63.6-25.9175.5-65.6-179.2172.600112.2R424 M426E422-R424 PolarHBondContact O-N 3.15Å; E422-M426 VanDerWaalsContact O-CB 3.26Å; E422-M426 WeakPolarHBondContact O-CB 3.46Å; E422-M426 PolarHBondContact O-N 3.03Å; E422-M426 VanDerWaalsContact O-N 3.17Å
423R63.1Low66.2Low161 Ų161119.3 Ų119.361%0.60858%0.579SS**Hα-helixtrans-62.7-38.1179.1-167.3173.2177.2168.83.2113.4E421 E427E421-R423 PolarHBondContact O-N 2.93Å; R423-E427 IonicContact NE-OE1 3.96Å; R423-E427 WeakPolarHBondContact O-CB 3.42Å; R423-E427 VanDerWaalsContact O-CG 3.29Å; R423-E427 WeakPolarHBondContact O-CG 3.36Å; R423-E427 PolarHBondContact O-N 2.92Å
424R66.3Low66.9Low192 Ų192116.7 Ų116.773%0.72557%0.57SS**Hα-helixtrans-71.4-43.8-179.9-94.5-171.280.9135.11.6113.4E421 E422 M426 E427 Q428E421-R424 PolarHBondContact O-N 3.11Å; E422-R424 PolarHBondContact O-N 3.15Å; R424-M426 VanDerWaalsContact C-N 3.25Å; R424-M426 PolarHBondContact O-N 3.35Å; R424-E427 PolarHBondContact O-N 2.8Å; R424-Q428 PolarHBondContact O-N 2.88Å
425I68.1Low67.7Low104 Ų104116 Ų11653%0.53356%0.56SS.*Hα-helixtrans-66-35.1178.4-63.9174.7000110K429I425-K429 PolarHBondContact O-N 2.93Å; I425-K429 VanDerWaalsContact O-N 3.15Å
426M65.6Low68.7Low61 Ų61115.8 Ų115.830%0.355%0.554SS.*Hα-helixtrans-75.1-37178.9-160159-166.500112.7I412 A416 E422 R424 Q428 K429 M430I412-M426 HydrophobicContact CB-CE 4.31Å; I412-M426 HydrophobicContact CG2-CE 3.29Å; I412-M426 HydrophobicContact CG2-CG 4.3Å; I412-M426 WeakPolarHBondContact O-CE 3.44Å; A416-M426 HydrophobicContact CB-CE 3.72Å; A416-M426 HydrophobicContact CB-SD 3.43Å; A416-M426 WeakPolarHBondContact CB-SD 3.4Å; E422-M426 VanDerWaalsContact O-CB 3.26Å; E422-M426 WeakPolarHBondContact O-CB 3.46Å; E422-M426 PolarHBondContact O-N 3.03Å; E422-M426 VanDerWaalsContact O-N 3.17Å; R424-M426 VanDerWaalsContact C-N 3.25Å; R424-M426 PolarHBondContact O-N 3.35Å; M426-Q428 VanDerWaalsContact C-N 3.29Å; M426-Q428 PolarHBondContact O-N 2.7Å; M426-K429 PolarHBondContact O-N 3.14Å; M426-M430 VanDerWaalsContact O-CB 3.27Å; M426-M430 WeakPolarHBondContact O-CB 3.4Å; M426-M430 PolarHBondContact O-N 2.95Å
427E71.4Confident69.9Low89 Ų89114 Ų11442%0.41654%0.539SS..Hα-helixtrans-58.9-40170.3-82.9171.1-175.900111.7R423 R424 M430 L431R423-E427 IonicContact NE-OE1 3.96Å; R423-E427 WeakPolarHBondContact O-CB 3.42Å; R423-E427 VanDerWaalsContact O-CG 3.29Å; R423-E427 WeakPolarHBondContact O-CG 3.36Å; R423-E427 PolarHBondContact O-N 2.92Å; R424-E427 PolarHBondContact O-N 2.8Å; E427-M430 PolarHBondContact O-N 2.93Å; E427-L431 WeakPolarHBondContact O-CG 3.35Å; E427-L431 PolarHBondContact O-N 2.92Å
428Q74.2Confident71.5Confident120 Ų120110.7 Ų110.756%0.56153%0.525SS*.Hα-helixtrans-65.6-45.6174.9-172.8175.4-6.400112.4R424 M426 M430 L431 E432R424-Q428 PolarHBondContact O-N 2.88Å; M426-Q428 VanDerWaalsContact C-N 3.29Å; M426-Q428 PolarHBondContact O-N 2.7Å; Q428-M430 VanDerWaalsContact C-N 3.3Å; Q428-M430 PolarHBondContact O-N 3.04Å; Q428-L431 PolarHBondContact O-N 3.5Å; Q428-E432 WeakPolarHBondContact O-CG 3.41Å; Q428-E432 PolarHBondContact O-N 2.92Å
429K75.5Confident73.1Confident137 Ų137105.4 Ų105.460%0.59651%0.508SS*.Hα-helixtrans-64.7-33.1175.5-73.8-176.5177.1-177.30113.1I425 M426 E432 A433I425-K429 PolarHBondContact O-N 2.93Å; I425-K429 VanDerWaalsContact O-N 3.15Å; M426-K429 PolarHBondContact O-N 3.14Å; K429-E432 PolarHBondContact O-N 3.23Å; K429-A433 WeakPolarHBondContact O-CB 3.42Å; K429-A433 PolarHBondContact O-N 3.45Å
430M73.1Confident74.5Confident57 Ų57104.6 Ų104.628%0.28149%0.491SS..Hα-helixtrans-67.4-45.4175.4-173.8-171.972.700110.6M409 M426 E427 Q428 E432 A433 E434M409-M430 HydrophobicContact CG-CG 3.95Å; M409-M430 HydrophobicContact SD-CG 4.16Å; M426-M430 VanDerWaalsContact O-CB 3.27Å; M426-M430 WeakPolarHBondContact O-CB 3.4Å; M426-M430 PolarHBondContact O-N 2.95Å; E427-M430 PolarHBondContact O-N 2.93Å; Q428-M430 VanDerWaalsContact C-N 3.3Å; Q428-M430 PolarHBondContact O-N 3.04Å; M430-E432 VanDerWaalsContact C-N 3.33Å; M430-E432 PolarHBondContact O-N 3.14Å; M430-A433 PolarHBondContact O-N 3.34Å; M430-E434 WeakPolarHBondContact O-CB 3.49Å; M430-E434 PolarHBondContact O-N 2.9Å
431L78.4Confident75.8Confident106 Ų10697.7 Ų97.756%0.55547%0.465SS*.Hα-helixtrans-62.1-38.6174.3-77.5164.8000112.3E427 Q428 M435E427-L431 WeakPolarHBondContact O-CG 3.35Å; E427-L431 PolarHBondContact O-N 2.92Å; Q428-L431 PolarHBondContact O-N 3.5Å; L431-M435 VanDerWaalsContact O-CB 3.23Å; L431-M435 WeakPolarHBondContact O-CB 3.49Å; L431-M435 PolarHBondContact O-N 2.92Å
432E78.9Confident77.3Confident103 Ų10396.2 Ų96.248%0.48146%0.458SS..Hα-helixtrans-65.7-42.1175-75174-170.500112.3Q428 K429 M430 L436Q428-E432 WeakPolarHBondContact O-CG 3.41Å; Q428-E432 PolarHBondContact O-N 2.92Å; K429-E432 PolarHBondContact O-N 3.23Å; M430-E432 VanDerWaalsContact C-N 3.33Å; M430-E432 PolarHBondContact O-N 3.14Å; E432-L436 WeakPolarHBondContact O-CB 3.32Å; E432-L436 PolarHBondContact O-N 2.9Å
433A78.3Confident78.7Confident39 Ų3992.9 Ų92.932%0.32244%0.443SS..Hα-helixtrans-69.9-39.2176.200000112.7K429 M430 L436 A437K429-A433 WeakPolarHBondContact O-CB 3.42Å; K429-A433 PolarHBondContact O-N 3.45Å; M430-A433 PolarHBondContact O-N 3.34Å; A433-L436 PolarHBondContact O-N 3.36Å; A433-A437 WeakPolarHBondContact O-CB 3.02Å; A433-A437 PolarHBondContact O-N 3.47Å
434E81.5Confident80Confident92 Ų9286 Ų8643%0.4342%0.419SS..Hα-helixtrans-62.8-45.5174.5-175.5174.8-165.300110.7M409 M430 L436 A437 L438M409-E434 HydrophobicContact SD-CB 3.93Å; M409-E434 HydrophobicContact SD-CG 4.38Å; M430-E434 WeakPolarHBondContact O-CB 3.49Å; M430-E434 PolarHBondContact O-N 2.9Å; E434-L436 VanDerWaalsContact C-N 3.31Å; E434-L436 PolarHBondContact O-N 3.48Å; E434-A437 PolarHBondContact O-N 3.48Å; E434-L438 WeakPolarHBondContact O-CB 3.37Å; E434-L438 PolarHBondContact O-N 3.16Å
435M83.8Confident81.1Confident101 Ų10182 Ų8250%0.49841%0.408SS..Hα-helixtrans-63.5-35.9174.8-179.6-179.146.600112.3L431 K439L431-M435 VanDerWaalsContact O-CB 3.23Å; L431-M435 WeakPolarHBondContact O-CB 3.49Å; L431-M435 PolarHBondContact O-N 2.92Å; M435-K439 WeakPolarHBondContact O-CG 3.4Å; M435-K439 PolarHBondContact O-N 3.4Å; M435-K439 VanDerWaalsContact O-N 3.1Å
436L84.8Confident82.2Confident103 Ų10383.6 Ų83.654%0.53941%0.408SS..Hα-helixtrans-69.6-45.6175.9-175.866000111.6E432 A433 E434 L438 K439 M440E432-L436 WeakPolarHBondContact O-CB 3.32Å; E432-L436 PolarHBondContact O-N 2.9Å; A433-L436 PolarHBondContact O-N 3.36Å; E434-L436 VanDerWaalsContact C-N 3.31Å; E434-L436 PolarHBondContact O-N 3.48Å; L436-L438 VanDerWaalsContact C-N 3.32Å; L436-L438 PolarHBondContact O-N 3.38Å; L436-K439 PolarHBondContact O-N 2.94Å; L436-M440 HydrophobicContact CG-SD 4.34Å; L436-M440 VanDerWaalsContact O-CG 3.29Å; L436-M440 WeakPolarHBondContact O-CG 3.46Å; L436-M440 PolarHBondContact O-N 3.2Å
437A83.5Confident83.4Confident4 Ų483.3 Ų83.33%0.03340%0.404CS..Hα-helixtrans-60.6-42.1176.300000111.5A405 E406 A433 E434 M440 A441A405-A437 HydrophobicContact CB-CB 4.15Å; E406-A437 HydrophobicContact CG-CB 4.35Å; A433-A437 WeakPolarHBondContact O-CB 3.02Å; A433-A437 PolarHBondContact O-N 3.47Å; E434-A437 PolarHBondContact O-N 3.48Å; A437-M440 PolarHBondContact O-N 3.49Å; A437-A441 WeakPolarHBondContact O-CB 3.46Å; A437-A441 PolarHBondContact O-N 2.84Å
438L86.8Confident84.2Confident96 Ų9681.3 Ų81.350%0.50340%0.402SS..Hα-helixtrans-63.7-43.1176.7-168.1134.3000112E434 L436 M440 A441 E442E434-L438 WeakPolarHBondContact O-CB 3.37Å; E434-L438 PolarHBondContact O-N 3.16Å; L436-L438 VanDerWaalsContact C-N 3.32Å; L436-L438 PolarHBondContact O-N 3.38Å; L438-M440 VanDerWaalsContact C-N 3.34Å; L438-M440 PolarHBondContact O-N 3.01Å; L438-A441 PolarHBondContact O-N 3.4Å; L438-E442 HydrophobicContact CD2-CG 4.38Å; L438-E442 WeakPolarHBondContact CD2-OE1 3.32Å; L438-E442 WeakPolarHBondContact O-CG 3.3Å; L438-E442 PolarHBondContact O-N 3Å
439K87.6Confident85.1Confident118 Ų11881.7 Ų81.751%0.51340%0.402SS..Hα-helixtrans-61.4-40.3173.3-77.1176.6-179.5177.60112.7M435 L436 E443M435-K439 WeakPolarHBondContact O-CG 3.4Å; M435-K439 PolarHBondContact O-N 3.4Å; M435-K439 VanDerWaalsContact O-N 3.1Å; L436-K439 PolarHBondContact O-N 2.94Å; K439-E443 WeakPolarHBondContact O-CB 3.29Å; K439-E443 PolarHBondContact O-N 2.92Å
440M87.5Confident85.9Confident36 Ų3679.7 Ų79.718%0.17739%0.394CS..Hα-helixtrans-68.8-36.2177.4-67.7-177.873.800112.1L398 K401 A402 L436 A437 L438 S444L398-M440 HydrophobicContact CD2-CE 4.13Å; K401-M440 HydrophobicContact CB-CE 3.28Å; K401-M440 HydrophobicContact CD-CE 3.71Å; K401-M440 HydrophobicContact CG-CE 4.15Å; A402-M440 HydrophobicContact CB-CB 4.09Å; L436-M440 HydrophobicContact CG-SD 4.34Å; L436-M440 VanDerWaalsContact O-CG 3.29Å; L436-M440 WeakPolarHBondContact O-CG 3.46Å; L436-M440 PolarHBondContact O-N 3.2Å; A437-M440 PolarHBondContact O-N 3.49Å; L438-M440 VanDerWaalsContact C-N 3.34Å; L438-M440 PolarHBondContact O-N 3.01Å; M440-S444 VanDerWaalsContact O-CB 3.27Å; M440-S444 WeakPolarHBondContact O-CB 3.43Å; M440-S444 PolarHBondContact O-N 3.24Å
441A85.9Confident86.8Confident40 Ų4077.1 Ų77.133%0.33138%0.383SS..Hα-helixtrans-67.6-43.6173.900000112A402 A437 L438 S444 E445A402-A441 HydrophobicContact CB-CB 4.43Å; A437-A441 WeakPolarHBondContact O-CB 3.46Å; A437-A441 PolarHBondContact O-N 2.84Å; L438-A441 PolarHBondContact O-N 3.4Å; A441-S444 WeakPolarHBondContact O-CB 3.27Å; A441-S444 PolarHBondContact O-N 2.89Å; A441-E445 PolarHBondContact O-N 2.94Å
442E88.9Confident87.4Confident119 Ų11977 Ų7756%0.55638%0.379SS*.Hα-helixtrans-62.1-42.5174.3-76-179.5171.500111.8L438 E445 R446L438-E442 HydrophobicContact CD2-CG 4.38Å; L438-E442 WeakPolarHBondContact CD2-OE1 3.32Å; L438-E442 WeakPolarHBondContact O-CG 3.3Å; L438-E442 PolarHBondContact O-N 3Å; E442-E445 PolarHBondContact O-N 3.16Å; E442-R446 PolarHBondContact O-N 2.92Å
443E89.8Confident88.1Confident73 Ų7376.7 Ų76.734%0.34138%0.378SS..Hα-helixtrans-67.5-38.2176.5-172.9162-144.900112.3L398 K439 R446 R447L398-E443 HydrophobicContact CD1-CB 4.33Å; L398-E443 HydrophobicContact CD1-CG 3.82Å; K439-E443 WeakPolarHBondContact O-CB 3.29Å; K439-E443 PolarHBondContact O-N 2.92Å; E443-R446 PolarHBondContact O-N 3.22Å; E443-R446 IonicContact OE1-CZ 2.68Å; E443-R446 IonicContact OE1-NH2 3.69Å; E443-R446 PolarHBondContact OE1-NH2 3.06Å; E443-R447 WeakPolarHBondContact O-CG 3.39Å; E443-R447 PolarHBondContact O-N 3.28Å
444S90.1Very high88.8Confident16 Ų1676 Ų7611%0.11237%0.368CS..Hα-helixtrans-59.4-46.4170.8172.90000111.5A395 M440 A441 R446 R447 A448A395-S444 PolarHBondContact O-OG 3.24Å; A395-S444 VanDerWaalsContact O-OG 3.06Å; M440-S444 VanDerWaalsContact O-CB 3.27Å; M440-S444 WeakPolarHBondContact O-CB 3.43Å; M440-S444 PolarHBondContact O-N 3.24Å; A441-S444 WeakPolarHBondContact O-CB 3.27Å; A441-S444 PolarHBondContact O-N 2.89Å; S444-R446 VanDerWaalsContact C-N 3.32Å; S444-R446 PolarHBondContact O-N 3.02Å; S444-R447 PolarHBondContact O-N 3.24Å; S444-A448 WeakPolarHBondContact O-CB 3.49Å; S444-A448 PolarHBondContact O-N 3.26Å
445E90.4Very high89.3Confident107 Ų10775.3 Ų75.350%0.536%0.364SS..Hα-helixtrans-64.2-38.9178.1-165.6-170.1155.200111.3A441 E442 A448 K449A441-E445 PolarHBondContact O-N 2.94Å; E442-E445 PolarHBondContact O-N 3.16Å; E445-A448 PolarHBondContact O-N 2.88Å; E445-K449 WeakPolarHBondContact O-CG 3.37Å; E445-K449 PolarHBondContact O-N 3.29Å; E445-K449 WeakPolarHBondContact OE1-CE 3.31Å; E445-K449 IonicContact OE1-NZ 2.9Å; E445-K449 PolarHBondContact OE1-NZ 3.49Å
446R90.8Very high89.7Confident138 Ų13875.6 Ų75.652%0.52136%0.364SS..Hα-helixtrans-62-46.6174.3-170-174.970-156.4-5.1111.5E442 E443 S444 A448 K449 E450E442-R446 PolarHBondContact O-N 2.92Å; E443-R446 PolarHBondContact O-N 3.22Å; E443-R446 IonicContact OE1-CZ 2.68Å; E443-R446 IonicContact OE1-NH2 3.69Å; E443-R446 PolarHBondContact OE1-NH2 3.06Å; S444-R446 VanDerWaalsContact C-N 3.32Å; S444-R446 PolarHBondContact O-N 3.02Å; R446-A448 VanDerWaalsContact C-N 3.34Å; R446-K449 PolarHBondContact O-N 3.21Å; R446-E450 PolarHBondContact O-N 2.94Å
447R89.8Confident90.1Very high56 Ų5673.5 Ų73.521%0.21135%0.354CS..Hα-helixtrans-66.7-34176.9-72.4-68.1177.183.93.3112.4E394 A395 L398 E443 S444 E450 A451E394-R447 IonicContact OE1-NH1 3.74Å; E394-R447 PolarHBondContact OE1-NH1 3.43Å; E394-R447 IonicContact OE2-CZ 3.92Å; E394-R447 IonicContact OE2-NH1 3.85Å; E394-R447 PolarHBondContact OE2-NH1 2.97Å; A395-R447 HydrophobicContact CB-CB 3.88Å; L398-R447 HydrophobicContact CD1-CG 4.35Å; E443-R447 WeakPolarHBondContact O-CG 3.39Å; E443-R447 PolarHBondContact O-N 3.28Å; S444-R447 PolarHBondContact O-N 3.24Å; R447-E450 WeakPolarHBondContact CD-OE2 3.46Å; R447-E450 IonicContact NE-OE2 3.86Å; R447-E450 PolarHBondContact O-N 3.41Å; R447-A451 WeakPolarHBondContact O-CB 3.4Å; R447-A451 PolarHBondContact O-N 2.99Å
448A89.6Confident90.5Very high46 Ų4674.5 Ų74.538%0.3836%0.358SS..Hα-helixtrans-65.5-41.3172.900000112A395 S444 E445 R446 A451 E452A395-A448 HydrophobicContact CB-CB 4.26Å; S444-A448 WeakPolarHBondContact O-CB 3.49Å; S444-A448 PolarHBondContact O-N 3.26Å; E445-A448 PolarHBondContact O-N 2.88Å; R446-A448 VanDerWaalsContact C-N 3.34Å; A448-A451 PolarHBondContact O-N 2.96Å; A448-E452 PolarHBondContact O-N 3.43Å
449K92.1Very high90.7Very high129 Ų12974.9 Ų74.956%0.56136%0.357SS*.Hα-helixtrans-64.8-40.8173.7-74.1173.2-175.8163.70112.2E445 R446 E452 Q453E445-K449 WeakPolarHBondContact O-CG 3.37Å; E445-K449 PolarHBondContact O-N 3.29Å; E445-K449 WeakPolarHBondContact OE1-CE 3.31Å; E445-K449 IonicContact OE1-NZ 2.9Å; E445-K449 PolarHBondContact OE1-NZ 3.49Å; R446-K449 PolarHBondContact O-N 3.21Å; K449-E452 PolarHBondContact O-N 3.17Å; K449-Q453 PolarHBondContact O-N 3.35Å
450E91.9Very high90.9Very high94 Ų9475.3 Ų75.344%0.43936%0.361SS..Hα-helixtrans-62.4-44.4174.2-175.7176.1-174.100111.6R446 R447 E452 Q453 L454R446-E450 PolarHBondContact O-N 2.94Å; R447-E450 WeakPolarHBondContact CD-OE2 3.46Å; R447-E450 IonicContact NE-OE2 3.86Å; R447-E450 PolarHBondContact O-N 3.41Å; E450-E452 VanDerWaalsContact C-N 3.32Å; E450-E452 PolarHBondContact O-N 3.04Å; E450-Q453 PolarHBondContact O-N 2.69Å; E450-L454 HydrophobicContact CG-CD1 4.17Å; E450-L454 VanDerWaalsContact O-CG 3.29Å; E450-L454 WeakPolarHBondContact O-CG 3.46Å; E450-L454 PolarHBondContact O-N 3.31Å
451A91.7Very high91.1Very high4 Ų474 Ų743%0.03336%0.356CS..Hα-helixtrans-60.9-39.417500000112.3A391 E392 R447 A448 L454 K455A391-A451 HydrophobicContact CB-CB 3.88Å; E392-A451 HydrophobicContact CB-CB 4.32Å; R447-A451 WeakPolarHBondContact O-CB 3.4Å; R447-A451 PolarHBondContact O-N 2.99Å; A448-A451 PolarHBondContact O-N 2.96Å; A451-L454 PolarHBondContact O-N 3.06Å; A451-K455 VanDerWaalsContact O-CG 3.31Å; A451-K455 WeakPolarHBondContact O-CG 3.49Å; A451-K455 PolarHBondContact O-N 3.09Å
452E91.8Very high91.3Very high103 Ų10378.7 Ų78.748%0.48137%0.365SS..Hα-helixtrans-68-40.3177.2-166.159.8-15400112.1A448 K449 E450 K455 Q456A448-E452 PolarHBondContact O-N 3.43Å; K449-E452 PolarHBondContact O-N 3.17Å; E450-E452 VanDerWaalsContact C-N 3.32Å; E450-E452 PolarHBondContact O-N 3.04Å; E452-K455 WeakPolarHBondContact O-CB 3.36Å; E452-K455 PolarHBondContact O-N 3.17Å; E452-Q456 WeakPolarHBondContact O-CG 3.29Å; E452-Q456 PolarHBondContact O-N 3.26Å; E452-Q456 VanDerWaalsContact O-N 3.09Å
453Q93Very high91.5Very high97 Ų9776.2 Ų76.245%0.45336%0.356SS..Hα-helixtrans-62.2-45.8173.1-174.461.551.700111.3K449 E450 K455 Q456 D457K449-Q453 PolarHBondContact O-N 3.35Å; E450-Q453 PolarHBondContact O-N 2.69Å; Q453-K455 VanDerWaalsContact C-N 3.25Å; Q453-K455 PolarHBondContact O-N 2.86Å; Q453-Q456 WeakPolarHBondContact O-CB 3.45Å; Q453-Q456 PolarHBondContact O-N 3.02Å; Q453-D457 PolarHBondContact NE2-OD1 2.76Å; Q453-D457 PolarHBondContact O-N 3.43Å
454L93.1Very high91.4Very high24 Ų2474.6 Ų74.613%0.12635%0.353CS..Hα-helixtrans-61.5-33.2177.1-70.9167.6000112.4L384 K387 A388 A391 E450 A451 L458L384-L454 HydrophobicContact CD2-CD2 3.82Å; K387-L454 HydrophobicContact CB-CD1 3.99Å; K387-L454 HydrophobicContact CB-CD2 4.36Å; A388-L454 HydrophobicContact CB-CB 3.86Å; A391-L454 HydrophobicContact CB-CD1 4.24Å; E450-L454 HydrophobicContact CG-CD1 4.17Å; E450-L454 VanDerWaalsContact O-CG 3.29Å; E450-L454 WeakPolarHBondContact O-CG 3.46Å; E450-L454 PolarHBondContact O-N 3.31Å; A451-L454 PolarHBondContact O-N 3.06Å; L454-L458 VanDerWaalsContact O-CB 3.24Å; L454-L458 WeakPolarHBondContact O-CB 3.46Å; L454-L458 PolarHBondContact O-N 3.4Å
455K91.8Very high91.4Very high77 Ų7776.1 Ų76.134%0.33536%0.358SS..Hα-helixtrans-68-37172.9-76.4173-177.9175.90112.7A388 E392 A451 E452 Q453 Q459A388-K455 HydrophobicContact CB-CG 4.26Å; E392-K455 VanDerWaalsContact OE2-CE 3.31Å; E392-K455 WeakPolarHBondContact OE2-CE 3.39Å; E392-K455 IonicContact OE2-NZ 2.82Å; E392-K455 PolarHBondContact OE2-NZ 3.46Å; A451-K455 VanDerWaalsContact O-CG 3.31Å; A451-K455 WeakPolarHBondContact O-CG 3.49Å; A451-K455 PolarHBondContact O-N 3.09Å; E452-K455 WeakPolarHBondContact O-CB 3.36Å; E452-K455 PolarHBondContact O-N 3.17Å; Q453-K455 VanDerWaalsContact C-N 3.25Å; Q453-K455 PolarHBondContact O-N 2.86Å; K455-Q459 PolarHBondContact O-N 3.48Å
456Q93.4Very high91.4Very high107 Ų10779.2 Ų79.250%0.537%0.365SS..Hα-helixtrans-66-47174.1-69.2179.211.300111.1E452 Q453 L458 Q459 E460E452-Q456 WeakPolarHBondContact O-CG 3.29Å; E452-Q456 PolarHBondContact O-N 3.26Å; E452-Q456 VanDerWaalsContact O-N 3.09Å; Q453-Q456 WeakPolarHBondContact O-CB 3.45Å; Q453-Q456 PolarHBondContact O-N 3.02Å; Q456-L458 VanDerWaalsContact C-N 3.3Å; Q456-L458 PolarHBondContact O-N 2.9Å; Q456-Q459 WeakPolarHBondContact O-CB 3.46Å; Q456-Q459 PolarHBondContact O-N 3.16Å; Q456-Q459 VanDerWaalsContact O-N 3.1Å; Q456-E460 PolarHBondContact O-N 2.88Å
457D91.8Very high91.4Very high60 Ų6079.8 Ų79.832%0.32137%0.367SS..Hα-helixtrans-62.2-39177.6-61.8-7.4000110.9L384 Q453 Q459 E460 A461L384-D457 HydrophobicContact CD1-CB 4.01Å; L384-D457 HydrophobicContact CD2-CB 4.28Å; Q453-D457 PolarHBondContact NE2-OD1 2.76Å; Q453-D457 PolarHBondContact O-N 3.43Å; D457-Q459 VanDerWaalsContact C-N 3.34Å; D457-Q459 PolarHBondContact O-N 2.96Å; D457-E460 PolarHBondContact O-N 3.34Å; D457-A461 PolarHBondContact O-N 3.01Å
458L92.7Very high91.4Very high24 Ų2477.6 Ų77.613%0.12636%0.361CS..Hα-helixtrans-60.6-41.7173.4175.362.4000112A381 L384 A385 L454 Q456 E460 A461 R462A381-L458 HydrophobicContact CB-CD1 3.88Å; A381-L458 WeakPolarHBondContact O-CD1 3.41Å; L384-L458 HydrophobicContact CB-CB 4.13Å; L384-L458 HydrophobicContact CB-CD1 4.15Å; A385-L458 HydrophobicContact CB-CD1 4.13Å; A385-L458 HydrophobicContact CB-CD2 4.02Å; L454-L458 VanDerWaalsContact O-CB 3.24Å; L454-L458 WeakPolarHBondContact O-CB 3.46Å; L454-L458 PolarHBondContact O-N 3.4Å; Q456-L458 VanDerWaalsContact C-N 3.3Å; Q456-L458 PolarHBondContact O-N 2.9Å; L458-E460 VanDerWaalsContact C-N 3.32Å; L458-A461 PolarHBondContact O-N 3.07Å; L458-R462 PolarHBondContact O-N 3.34Å
459Q91.8Very high91.4Very high104 Ų10480.9 Ų80.949%0.48637%0.367SS..Hα-helixtrans-65.8-37.4177.9-174.560.337.800111.4K455 Q456 D457 R462 N463K455-Q459 PolarHBondContact O-N 3.48Å; Q456-Q459 WeakPolarHBondContact O-CB 3.46Å; Q456-Q459 PolarHBondContact O-N 3.16Å; Q456-Q459 VanDerWaalsContact O-N 3.1Å; D457-Q459 VanDerWaalsContact C-N 3.34Å; D457-Q459 PolarHBondContact O-N 2.96Å; Q459-R462 PolarHBondContact O-N 3.44Å; Q459-N463 PolarHBondContact NE2-OD1 3.45Å; Q459-N463 WeakPolarHBondContact O-CB 3.3Å; Q459-N463 PolarHBondContact O-N 3.28Å; Q459-N463 PolarHBondContact O-ND2 3.26Å
460E92.1Very high91.3Very high128 Ų12879 Ų7960%0.59836%0.363SS*.Hα-helixtrans-65.2-43.9173.4-172.9168-168.700111.8Q456 D457 L458 R462 N463 S464Q456-E460 PolarHBondContact O-N 2.88Å; D457-E460 PolarHBondContact O-N 3.34Å; L458-E460 VanDerWaalsContact C-N 3.32Å; E460-R462 PolarHBondContact O-N 3.44Å; E460-N463 WeakPolarHBondContact O-CB 3.34Å; E460-N463 PolarHBondContact O-N 3.32Å; E460-N463 VanDerWaalsContact O-N 3.11Å; E460-S464 PolarHBondContact O-N 3.4Å; E460-S464 PolarHBondContact O-OG 2.85Å
461A90.6Very high91.1Very high9 Ų978.2 Ų78.27%0.07436%0.358CS..Hα-helixtrans-60.9-40.8175.200000112.5S377 T380 A381 L384 D457 L458 N463 S464 E465S377-A461 PolarHBondContact OG-O 2.95Å; T380-A461 HydrophobicContact CG2-CB 4.44Å; A381-A461 HydrophobicContact CB-CB 4.11Å; L384-A461 HydrophobicContact CD1-CB 4.15Å; D457-A461 PolarHBondContact O-N 3.01Å; L458-A461 PolarHBondContact O-N 3.07Å; A461-N463 VanDerWaalsContact C-N 3.33Å; A461-N463 PolarHBondContact O-N 3.38Å; A461-S464 WeakPolarHBondContact CA-OG 3.31Å; A461-S464 PolarHBondContact O-N 3.28Å; A461-S464 PolarHBondContact O-OG 3.28Å; A461-E465 WeakPolarHBondContact O-CB 3.32Å; A461-E465 PolarHBondContact O-N 3.38Å
462R90.8Very high90.9Very high137 Ų13779.7 Ų79.752%0.51737%0.365SS..Hα-helixtrans-67.1-33.5173.4-77.8-172.9169.7176.80.1112.9A381 L458 Q459 E460 R466A381-R462 HydrophobicContact CB-CG 4.46Å; L458-R462 PolarHBondContact O-N 3.34Å; Q459-R462 PolarHBondContact O-N 3.44Å; E460-R462 PolarHBondContact O-N 3.44Å; R462-R466 PolarHBondContact O-N 2.81Å
463N91.6Very high90.7Very high67 Ų6779.8 Ų79.836%0.35837%0.369SS..Hα-helixtrans-69.3-38.8175.2-72.5-25.4000111.6Q459 E460 A461 R466 R467Q459-N463 PolarHBondContact NE2-OD1 3.45Å; Q459-N463 WeakPolarHBondContact O-CB 3.3Å; Q459-N463 PolarHBondContact O-N 3.28Å; Q459-N463 PolarHBondContact O-ND2 3.26Å; E460-N463 WeakPolarHBondContact O-CB 3.34Å; E460-N463 PolarHBondContact O-N 3.32Å; E460-N463 VanDerWaalsContact O-N 3.11Å; A461-N463 VanDerWaalsContact C-N 3.33Å; A461-N463 PolarHBondContact O-N 3.38Å; N463-R466 PolarHBondContact O-N 3.45Å; N463-R467 WeakPolarHBondContact O-CG 3.38Å; N463-R467 PolarHBondContact O-N 3.47Å; N463-R467 VanDerWaalsContact O-N 3.09Å
464S88.9Confident90.3Very high39 Ų3979 Ų7927%0.27337%0.365SS..Hα-helixtrans-66.5-39.7173.346.40000112.7S377 E460 A461 R466 R467 A468S377-S464 PolarHBondContact OG-OG 3.18Å; E460-S464 PolarHBondContact O-N 3.4Å; E460-S464 PolarHBondContact O-OG 2.85Å; A461-S464 WeakPolarHBondContact CA-OG 3.31Å; A461-S464 PolarHBondContact O-N 3.28Å; A461-S464 PolarHBondContact O-OG 3.28Å; S464-R466 PolarHBondContact O-N 2.92Å; S464-R467 PolarHBondContact O-N 2.98Å; S464-A468 PolarHBondContact O-N 3.46Å
465E90.2Very high90Very high48 Ų4878.6 Ų78.622%0.22436%0.363CS..Hα-helixtrans-56.2-50.1173.3-174.1-15713900110.6L374 S377 E378 A461 R467 A468 K469L374-E465 HydrophobicContact CD1-CB 4.38Å; L374-E465 HydrophobicContact CD1-CG 3.45Å; L374-E465 VanDerWaalsContact CD1-CG 3.45Å; S377-E465 PolarHBondContact OG-N 2.89Å; S377-E465 VanDerWaalsContact OG-N 3.09Å; E378-E465 HydrophobicContact CG-CG 3.89Å; A461-E465 WeakPolarHBondContact O-CB 3.32Å; A461-E465 PolarHBondContact O-N 3.38Å; E465-R467 VanDerWaalsContact C-N 3.31Å; E465-R467 PolarHBondContact O-N 3.37Å; E465-A468 PolarHBondContact O-N 2.91Å; E465-K469 WeakPolarHBondContact O-CB 3.43Å; E465-K469 PolarHBondContact O-N 2.9Å
466R90.5Very high89.3Confident173 Ų17378.9 Ų78.965%0.65337%0.371SS*.Hα-helixtrans-61.7-37.5178.4-166.7173.7-173.4168.61.4112.6R462 N463 S464 N470R462-R466 PolarHBondContact O-N 2.81Å; N463-R466 PolarHBondContact O-N 3.45Å; S464-R466 PolarHBondContact O-N 2.92Å; R466-N470 WeakPolarHBondContact O-CB 3.37Å; R466-N470 PolarHBondContact O-N 3.4Å; R466-N470 PolarHBondContact O-ND2 3.38Å
467R90.4Very high88.4Confident149 Ų14976.5 Ų76.556%0.56237%0.366SS*.Hα-helixtrans-65-45.9174.7-74.2-173.4-64.2-103.54.6111.6N463 S464 E465 N470 K471N463-R467 WeakPolarHBondContact O-CG 3.38Å; N463-R467 PolarHBondContact O-N 3.47Å; N463-R467 VanDerWaalsContact O-N 3.09Å; S464-R467 PolarHBondContact O-N 2.98Å; E465-R467 VanDerWaalsContact C-N 3.31Å; E465-R467 PolarHBondContact O-N 3.37Å; R467-N470 PolarHBondContact O-N 2.86Å; R467-K471 PolarHBondContact O-N 2.94Å
468A89.1Confident87.3Confident10 Ų1078.6 Ų78.68%0.08337%0.372CS..Hα-helixtrans-62.1-43.9177.500000111.6A373 L374 S464 E465 N470 K471 L472A373-A468 HydrophobicContact CB-CB 4.33Å; L374-A468 HydrophobicContact CB-CB 3.93Å; L374-A468 HydrophobicContact CD1-CB 4.35Å; S464-A468 PolarHBondContact O-N 3.46Å; E465-A468 PolarHBondContact O-N 2.91Å; A468-N470 PolarHBondContact O-N 3.46Å; A468-K471 WeakPolarHBondContact O-CB 3.48Å; A468-K471 PolarHBondContact O-N 3.29Å; A468-L472 PolarHBondContact O-N 3.34Å; A468-L472 VanDerWaalsContact O-N 3.08Å
469K90.3Very high85.5Confident116 Ų11680.5 Ų80.550%0.50439%0.392SS..Hα-helixtrans-61.5-43.6175-170.8172-174.7166.60112.8L374 E465 K471 L472 L473L374-K469 HydrophobicContact CD1-CB 4.32Å; E465-K469 WeakPolarHBondContact O-CB 3.43Å; E465-K469 PolarHBondContact O-N 2.9Å; K469-K471 VanDerWaalsContact C-N 3.32Å; K469-K471 PolarHBondContact O-N 3.34Å; K469-L472 PolarHBondContact O-N 3.01Å; K469-L473 WeakPolarHBondContact O-CG 3.45Å; K469-L473 PolarHBondContact O-N 3.29Å; K469-L473 VanDerWaalsContact O-N 3.12Å
470N89.6Confident83.7Confident88 Ų8881.6 Ų81.647%0.47140%0.399SS..Hα-helixtrans-63.6-37.9175.4-74.8-13.2000111.9R466 R467 A468 L473 E474R466-N470 WeakPolarHBondContact O-CB 3.37Å; R466-N470 PolarHBondContact O-N 3.4Å; R466-N470 PolarHBondContact O-ND2 3.38Å; R467-N470 PolarHBondContact O-N 2.86Å; A468-N470 PolarHBondContact O-N 3.46Å; N470-L473 PolarHBondContact O-N 3.46Å; N470-E474 PolarHBondContact O-N 3.43Å
471K88.9Confident81.6Confident78 Ų7885.3 Ų85.334%0.33941%0.409SS..Hα-helixtrans-63.3-41.5176.7-174.664.1-176.8175.30111.9E366 A370 R467 A468 K469 E474 I475E366-K471 IonicContact OE2-NZ 3.6Å; A370-K471 HydrophobicContact CB-CB 4.39Å; A370-K471 HydrophobicContact CB-CG 4.13Å; R467-K471 PolarHBondContact O-N 2.94Å; A468-K471 WeakPolarHBondContact O-CB 3.48Å; A468-K471 PolarHBondContact O-N 3.29Å; K469-K471 VanDerWaalsContact C-N 3.32Å; K469-K471 PolarHBondContact O-N 3.34Å; K471-E474 IonicContact NZ-OE2 2.69Å; K471-E474 WeakPolarHBondContact O-CB 3.46Å; K471-E474 PolarHBondContact O-N 3.35Å; K471-I475 HydrophobicContact CG-CD1 4.24Å; K471-I475 VanDerWaalsContact O-CG1 3.29Å; K471-I475 WeakPolarHBondContact O-CG1 3.46Å; K471-I475 PolarHBondContact O-N 2.84Å
472L87.1Confident79.5Confident35 Ų3589.8 Ų89.818%0.18344%0.436CS..Hα-helixtrans-62.5-40.5173.9-73.8171000112.8A367 A370 N371 L374 A468 K469 I475 T476A367-L472 HydrophobicContact CB-CD2 4.33Å; A367-L472 WeakPolarHBondContact O-CD2 3.49Å; A370-L472 HydrophobicContact CB-CD2 3.75Å; A370-L472 HydrophobicContact CB-CG 3.83Å; N371-L472 HydrophobicContact CB-CD1 4.46Å; N371-L472 HydrophobicContact CB-CD2 4.44Å; L374-L472 HydrophobicContact CD2-CD1 4Å; A468-L472 PolarHBondContact O-N 3.34Å; A468-L472 VanDerWaalsContact O-N 3.08Å; K469-L472 PolarHBondContact O-N 3.01Å; L472-I475 PolarHBondContact O-N 2.77Å; L472-T476 WeakPolarHBondContact O-CB 3.49Å; L472-T476 PolarHBondContact O-N 2.94Å; L472-T476 PolarHBondContact O-OG1 3.15Å
473L86.3Confident76.8Confident106 Ų10688.1 Ų88.156%0.55545%0.446SS*.Hα-helixtrans-64.7-39.7175.1-71.4170.1000111.9K469 N470 T476 S477K469-L473 WeakPolarHBondContact O-CG 3.45Å; K469-L473 PolarHBondContact O-N 3.29Å; K469-L473 VanDerWaalsContact O-N 3.12Å; N470-L473 PolarHBondContact O-N 3.46Å; L473-T476 PolarHBondContact O-N 2.98Å; L473-S477 WeakPolarHBondContact O-CB 3.36Å; L473-S477 PolarHBondContact O-N 3.29Å; L473-S477 PolarHBondContact O-OG 3.12Å
474E86.1Confident74.5Confident80 Ų8089.8 Ų89.837%0.37446%0.46SS..Hα-helixtrans-61.5-46.6176.1-163.8-160.9150.200111.2N470 K471 T476 S477 K478N470-E474 PolarHBondContact O-N 3.43Å; K471-E474 IonicContact NZ-OE2 2.69Å; K471-E474 WeakPolarHBondContact O-CB 3.46Å; K471-E474 PolarHBondContact O-N 3.35Å; E474-T476 VanDerWaalsContact C-N 3.34Å; E474-T476 PolarHBondContact O-N 3.49Å; E474-S477 PolarHBondContact O-N 2.99Å; E474-S477 PolarHBondContact O-OG 3.35Å; E474-K478 WeakPolarHBondContact O-CG 3.25Å; E474-K478 PolarHBondContact O-N 3.02Å; E474-K478 WeakPolarHBondContact OE1-CE 3.38Å; E474-K478 IonicContact OE1-NZ 2.71Å; E474-K478 PolarHBondContact OE1-NZ 3.08Å
475I85.3Confident72Confident15 Ų1591.2 Ų91.28%0.07748%0.48CS..Hα-helixtrans-60.4-44.2176.7-65.7163.5000110.6L363 E366 A367 K471 L472 K478 A479L363-I475 HydrophobicContact CD2-CG2 4.31Å; E366-I475 HydrophobicContact CB-CD1 3.94Å; A367-I475 HydrophobicContact CB-CD1 4.39Å; A367-I475 HydrophobicContact CB-CG2 4.34Å; K471-I475 HydrophobicContact CG-CD1 4.24Å; K471-I475 VanDerWaalsContact O-CG1 3.29Å; K471-I475 WeakPolarHBondContact O-CG1 3.46Å; K471-I475 PolarHBondContact O-N 2.84Å; L472-I475 PolarHBondContact O-N 2.77Å; I475-K478 PolarHBondContact O-N 3.05Å; I475-A479 PolarHBondContact O-N 3.05Å
476T78.9Confident69.2Low84 Ų8496.6 Ų96.652%0.51551%0.51SS..Hα-helixtrans-65.6-40178.1-54.20000111.9L472 L473 E474 A479L472-T476 WeakPolarHBondContact O-CB 3.49Å; L472-T476 PolarHBondContact O-N 2.94Å; L472-T476 PolarHBondContact O-OG1 3.15Å; L473-T476 PolarHBondContact O-N 2.98Å; E474-T476 VanDerWaalsContact C-N 3.34Å; E474-T476 PolarHBondContact O-N 3.49Å; T476-A479 WeakPolarHBondContact O-CB 3.38Å; T476-A479 PolarHBondContact O-N 3.45Å
477S74.1Confident66.6Low56 Ų5694 Ų9439%0.39252%0.516SS..Hα-helixtrans-68.5-33.6178.671.70000112.8L473 E474 A479 I480L473-S477 WeakPolarHBondContact O-CB 3.36Å; L473-S477 PolarHBondContact O-N 3.29Å; L473-S477 PolarHBondContact O-OG 3.12Å; E474-S477 PolarHBondContact O-N 2.99Å; E474-S477 PolarHBondContact O-OG 3.35Å; S477-A479 VanDerWaalsContact C-N 3.3Å; S477-A479 PolarHBondContact O-N 3.19Å; S477-I480 PolarHBondContact O-N 3.47Å
478K67.2Low63.9Low104 Ų10492.3 Ų92.345%0.45253%0.526SS..Hα-helixtrans-64.5-34173.8-80.3170.2169.41670112E474 I475 I480 Y481 T482E474-K478 WeakPolarHBondContact O-CG 3.25Å; E474-K478 PolarHBondContact O-N 3.02Å; E474-K478 WeakPolarHBondContact OE1-CE 3.38Å; E474-K478 IonicContact OE1-NZ 2.71Å; E474-K478 PolarHBondContact OE1-NZ 3.08Å; I475-K478 PolarHBondContact O-N 3.05Å; K478-I480 VanDerWaalsContact C-N 3.26Å; K478-I480 PolarHBondContact O-N 2.95Å; K478-Y481 PolarHBondContact O-N 3.32Å; K478-T482 PolarHBondContact O-OG1 2.94Å
479A56.8Low61.2Low65 Ų6598.7 Ų98.754%0.53756%0.559SS.*Hα-helixtrans-67.2-22.2177.200000113.9I475 T476 S477I475-A479 PolarHBondContact O-N 3.05Å; T476-A479 WeakPolarHBondContact O-CB 3.38Å; T476-A479 PolarHBondContact O-N 3.45Å; S477-A479 VanDerWaalsContact C-N 3.3Å; S477-A479 PolarHBondContact O-N 3.19Å
480I52.4Low58.5Low126 Ų12698.4 Ų98.465%0.64657%0.572SS**Hα-helixtrans-85.8-20.4-177.5-60.9170.6000112S477 K478S477-I480 PolarHBondContact O-N 3.47Å; K478-I480 VanDerWaalsContact C-N 3.26Å; K478-I480 PolarHBondContact O-N 2.95Å
481Y48.7Very low55.8Low206 Ų20699.6 Ų99.681%0.80858%0.582SS**Hα-helixtrans-101.2-2.3-178.2-77.2-78.5000115.1K478K478-Y481 PolarHBondContact O-N 3.32Å
482T46Very low53.1Low104 Ų104101.5 Ų101.564%0.63860%0.602SS**  trans-101.559.5171.946.40000111K478K478-T482 PolarHBondContact O-OG1 2.94Å
483S35.3Very low50.4Low102 Ų102108.3 Ų108.371%0.71363%0.633SS**  trans-93.7107.2149-168.40000105.8G485S483-G485 PolarHBondContact O-N 3.26Å; S483-G485 VanDerWaalsContact O-N 3.09Å
484P42.9Very low47.7Very low102 Ų102111.7 Ų111.766%0.66265%0.646SS**PPolyproline II helixtrans-60118.9162.7-10.225.2000105.6L486P484-L486 PolarHBondContact O-N 3.47Å
485G35.3Very low45Very low68 Ų68115.2 Ų115.270%0.70167%0.667SS**PPolyproline II helixtrans-53.2118.1162.800000106.9S483S483-G485 PolarHBondContact O-N 3.26Å; S483-G485 VanDerWaalsContact O-N 3.09Å
486L32.6Very low42.3Very low161 Ų161121.4 Ų121.484%0.84370%0.7SS**PPolyproline II helixtrans-49.4135.7153.8-79.3113.9000106.7P484 S488P484-L486 PolarHBondContact O-N 3.47Å; L486-S488 PolarHBondContact O-N 3.21Å
487P35.9Very low39.9Very low120 Ų120126.9 Ų126.978%0.77972%0.717SS**  trans-57.1114.6164.1-1226.1000106.1D489P487-D489 PolarHBondContact O-N 2.97Å
488S32.4Very low37.8Very low112 Ų112129.1 Ų129.178%0.78373%0.733SS**  trans-45.7126.8165.5170.80000108.1L486 S490L486-S488 PolarHBondContact O-N 3.21Å; S488-S490 PolarHBondContact O-N 3.5Å
489D33.3Very low36.5Very low145 Ų145135.9 Ų135.978%0.77576%0.756SS**  trans-41.2102.9169.7-76.9-46.2000110.9P487 V491P487-D489 PolarHBondContact O-N 2.97Å; D489-V491 HydrophobicContact CB-CG2 4.07Å; D489-V491 PolarHBondContact O-N 3.34Å
490S32.6Very low35.2Very low110 Ų110140.9 Ų140.977%0.76977%0.768SS**  trans-8182.7148.460.60000105.9S488 P492S488-S490 PolarHBondContact O-N 3.5Å; S490-P492 VanDerWaalsContact O-CD 3.3Å; S490-P492 WeakPolarHBondContact O-CD 3.43Å
491V33.1Very low34.7Very low113 Ų113142.9 Ų142.969%0.68578%0.78SS**  trans-49.4120.8161.9-173.40000106.6D489 Q493D489-V491 HydrophobicContact CB-CG2 4.07Å; D489-V491 PolarHBondContact O-N 3.34Å; V491-Q493 PolarHBondContact O-N 2.96Å
492P33.4Very low33.9Very low117 Ų117140.3 Ų140.376%0.7678%0.779SS**  trans-61.5110169.4-19.331.9000106.9S490 E494S490-P492 VanDerWaalsContact O-CD 3.3Å; S490-P492 WeakPolarHBondContact O-CD 3.43Å; P492-E494 PolarHBondContact O-N 2.7Å; P492-E494 VanDerWaalsContact O-N 3.09Å
493Q30.3Very low33.5Very low179 Ų179141.4 Ų141.484%0.83679%0.791SS**  trans-49.6117173-143.3164.41.700107.5V491 L495V491-Q493 PolarHBondContact O-N 2.96Å; Q493-L495 PolarHBondContact O-N 2.89Å
494E28.8Very low33.5Very low176 Ų176143.5 Ų143.582%0.82279%0.787SS**  trans-50.5115.6170.4-72.2-162.5156.400108.1P492 N496P492-E494 PolarHBondContact O-N 2.7Å; P492-E494 VanDerWaalsContact O-N 3.09Å; E494-N496 VanDerWaalsContact C-N 3.26Å; E494-N496 PolarHBondContact O-N 3.34Å
495L30Very low33.4Very low155 Ų155145.8 Ų145.881%0.81279%0.794SS**  trans-67.494.1169.4-77165000107Q493 F497Q493-L495 PolarHBondContact O-N 2.89Å; L495-F497 PolarHBondContact O-N 3.2Å
496N28.6Very low33.8Very low144 Ų144148.9 Ų148.977%0.7779%0.789SS**  trans-54.2100.7161.1-103.6-19.1000108.3E494 S498E494-N496 VanDerWaalsContact C-N 3.26Å; E494-N496 PolarHBondContact O-N 3.34Å; N496-S498 VanDerWaalsContact C-N 3.28Å; N496-S498 PolarHBondContact O-N 3.01Å
497F28.5Very low35.1Very low199 Ų199149.8 Ų149.887%0.87379%0.786SS**  trans-65.793.5165.5-86.7-85.4000108.3L495 R499L495-F497 PolarHBondContact O-N 3.2Å; F497-R499 PolarHBondContact O-N 2.94Å
498S28.8Very low36Very low104 Ų104148.2 Ų148.273%0.72777%0.771SS**  trans-66.3113.3165.6-62.50000107.9N496 E500N496-S498 VanDerWaalsContact C-N 3.28Å; N496-S498 PolarHBondContact O-N 3.01Å; S498-E500 VanDerWaalsContact C-N 3.34Å; S498-E500 PolarHBondContact O-N 3.31Å
499R40.1Very low37.5Very low246 Ų246147.3 Ų147.393%0.92876%0.761SS**  trans-7088.8171.6179.5-178.8175.5178.4-1.3108.5F497F497-R499 PolarHBondContact O-N 2.94Å
500E30.9Very low39Very low170 Ų170143.4 Ų143.479%0.79474%0.74SS**  trans-127.8132.5162.5-72.2-167.6160.300110.7S498 L502S498-E500 VanDerWaalsContact C-N 3.34Å; S498-E500 PolarHBondContact O-N 3.31Å; E500-L502 PolarHBondContact O-N 3.49Å
501N41.4Very low40.5Very low168 Ų168143.3 Ų143.390%0.89873%0.728SS**  trans-52.4112.2-174.6-75-30.9000112.4
502L30.9Very low42.3Very low152 Ų152143.7 Ų143.780%0.79672%0.721SS**  trans-114.8105.7163-75.7164.9000108.6E500 F504E500-L502 PolarHBondContact O-N 3.49Å; L502-F504 PolarHBondContact O-N 2.91Å
503S38.2Very low44.3Very low126 Ų126146.6 Ų146.688%0.88172%0.717SS**  trans-60.7101.4162.5164.10000108
504F35.8Very low46Very low146 Ų146142.9 Ų142.964%0.6470%0.702SS**  trans-92.6113.3-176-144.3-95.6000110.3L502 F506L502-F504 PolarHBondContact O-N 2.91Å; F504-F506 AromaticContact CD1-CD2 3.94Å; F504-F506 HydrophobicContact CD1-CD2 3.94Å; F504-F506 AromaticContact CD1-CE2 3.91Å; F504-F506 HydrophobicContact CD1-CE2 3.91Å; F504-F506 PolarHBondContact O-N 3.11Å
505D41.2Very low48.1Very low150 Ų150137.8 Ų137.880%0.80269%0.686SS**  trans-81.892.8-179.5-146.93.2000109.3K507D505-K507 PolarHBondContact O-N 2.9Å
506F43.1Very low50.2Low133 Ų133137.2 Ų137.258%0.58368%0.681SS**  trans-75.9110.3177.8-99.5-100.3000110F504 D510F504-F506 AromaticContact CD1-CD2 3.94Å; F504-F506 HydrophobicContact CD1-CD2 3.94Å; F504-F506 AromaticContact CD1-CE2 3.91Å; F504-F506 HydrophobicContact CD1-CE2 3.91Å; F504-F506 PolarHBondContact O-N 3.11Å; F506-D510 WeakPolarHBondContact CD1-OD2 3.3Å; F506-D510 WeakPolarHBondContact CE1-OD2 3.1Å
507K59.2Low52.4Low180 Ų180136.1 Ų136.178%0.78367%0.671SS**SBendtrans-168.8-26.5154.9-101.5142.2-162.2-174.70117.6D505D505-K507 PolarHBondContact O-N 2.9Å
508D55.2Low54.5Low87 Ų87131 Ų13147%0.46565%0.652SS.*SBendtrans-112.6-34.2-169.1-157.940.3000115.2K512D508-K512 PolarHBondContact O-N 2.74Å; D508-K512 IonicContact OD1-NZ 2.61Å; D508-K512 IonicContact OD2-NZ 2.94Å; D508-K512 PolarHBondContact OD2-NZ 3.29Å
509T63.6Low56.6Low94 Ų94130.6 Ų130.658%0.57764%0.639SS**Hα-helixtrans-70.4-41.9177.819.30000112.8M511 K512 R513T509-M511 VanDerWaalsContact C-N 3.35Å; T509-K512 PolarHBondContact O-N 2.87Å; T509-R513 WeakPolarHBondContact O-CB 3.34Å; T509-R513 PolarHBondContact O-N 2.74Å
510D66.3Low58.4Low63 Ų63125.3 Ų125.334%0.33762%0.622SS.*Hα-helixtrans-70.1-33-179.7-59.7-46.5000112.3F506 R513 L514F506-D510 WeakPolarHBondContact CD1-OD2 3.3Å; F506-D510 WeakPolarHBondContact CE1-OD2 3.1Å; D510-R513 PolarHBondContact O-N 3.05Å; D510-L514 VanDerWaalsContact O-CB 3.27Å; D510-L514 WeakPolarHBondContact O-CB 3.33Å; D510-L514 PolarHBondContact O-N 2.72Å
511M63.6Low60.4Low107 Ų107123.7 Ų123.753%0.52762%0.615SS.*Hα-helixtrans-69.6-39.2177.3-173.2172.756.400111.7T509 S515T509-M511 VanDerWaalsContact C-N 3.35Å; M511-S515 VanDerWaalsContact O-CB 3.32Å; M511-S515 WeakPolarHBondContact O-CB 3.33Å; M511-S515 PolarHBondContact O-N 3.02Å; M511-S515 PolarHBondContact O-OG 3.47Å
512K71.1Confident61.8Low122 Ų122120.6 Ų120.653%0.5359%0.593SS.*Hα-helixtrans-66.1-42.8171.9-75171.9179.41490111.4D508 T509 S515 M516D508-K512 PolarHBondContact O-N 2.74Å; D508-K512 IonicContact OD1-NZ 2.61Å; D508-K512 IonicContact OD2-NZ 2.94Å; D508-K512 PolarHBondContact OD2-NZ 3.29Å; T509-K512 PolarHBondContact O-N 2.87Å; K512-S515 PolarHBondContact O-N 3.43Å; K512-M516 WeakPolarHBondContact O-CG 3.47Å; K512-M516 PolarHBondContact O-N 3.41Å
513R73.9Confident64Low177 Ų177116.4 Ų116.467%0.66857%0.574SS**Hα-helixtrans-60.7-47.5176.1-171.1177.2-174.2154.93.1111.8T509 D510 S515 M516 E517T509-R513 WeakPolarHBondContact O-CB 3.34Å; T509-R513 PolarHBondContact O-N 2.74Å; D510-R513 PolarHBondContact O-N 3.05Å; R513-S515 VanDerWaalsContact C-N 3.32Å; R513-S515 PolarHBondContact O-N 2.99Å; R513-M516 PolarHBondContact O-N 3.14Å; R513-E517 WeakPolarHBondContact O-CB 3.22Å; R513-E517 PolarHBondContact O-N 3.48Å
514L66.2Low65.8Low102 Ų102114 Ų11453%0.53455%0.549SS..Hα-helixtrans-62.1-40.6177-174.867.9000111.6D510 E517 I518D510-L514 VanDerWaalsContact O-CB 3.27Å; D510-L514 WeakPolarHBondContact O-CB 3.33Å; D510-L514 PolarHBondContact O-N 2.72Å; L514-E517 PolarHBondContact O-N 3.06Å; L514-I518 HydrophobicContact CG-CD1 4.04Å; L514-I518 VanDerWaalsContact O-CG1 3.25Å; L514-I518 WeakPolarHBondContact O-CG1 3.37Å; L514-I518 PolarHBondContact O-N 3.09Å
515S72.8Confident67.6Low68 Ų68113.8 Ų113.848%0.47654%0.544SS..Hα-helixtrans-66.2-39.9177.9-60.80000112M511 K512 R513 E517 E519M511-S515 VanDerWaalsContact O-CB 3.32Å; M511-S515 WeakPolarHBondContact O-CB 3.33Å; M511-S515 PolarHBondContact O-N 3.02Å; M511-S515 PolarHBondContact O-OG 3.47Å; K512-S515 PolarHBondContact O-N 3.43Å; R513-S515 VanDerWaalsContact C-N 3.32Å; R513-S515 PolarHBondContact O-N 2.99Å; S515-E517 VanDerWaalsContact C-N 3.35Å; S515-E519 PolarHBondContact O-N 3.03Å
516M75.6Confident69.1Low144 Ų144112.2 Ų112.271%0.70953%0.534SS*.Hα-helixtrans-65.1-38.3172.7-72.4177.866.200112.1K512 R513 K520K512-M516 WeakPolarHBondContact O-CG 3.47Å; K512-M516 PolarHBondContact O-N 3.41Å; R513-M516 PolarHBondContact O-N 3.14Å; M516-K520 VanDerWaalsContact O-CB 3.27Å; M516-K520 WeakPolarHBondContact O-CB 3.24Å; M516-K520 PolarHBondContact O-N 3.11Å
517E74.2Confident70.9Confident120 Ų120112 Ų11256%0.56154%0.535SS*.Hα-helixtrans-68.3-42.3178.8-163.9160.3-15300111.6R513 L514 S515 K520 E521R513-E517 WeakPolarHBondContact O-CB 3.22Å; R513-E517 PolarHBondContact O-N 3.48Å; L514-E517 PolarHBondContact O-N 3.06Å; S515-E517 VanDerWaalsContact C-N 3.35Å; E517-K520 PolarHBondContact O-N 3.21Å; E517-E521 WeakPolarHBondContact O-CB 3.47Å; E517-E521 PolarHBondContact O-N 2.92Å
518I71.8Confident71.9Confident93 Ų93109.1 Ų109.148%0.47752%0.522SS..Hα-helixtrans-61.9-46.1173.3-69165.7000111.2L514 K520 E521 K522L514-I518 HydrophobicContact CG-CD1 4.04Å; L514-I518 VanDerWaalsContact O-CG1 3.25Å; L514-I518 WeakPolarHBondContact O-CG1 3.37Å; L514-I518 PolarHBondContact O-N 3.09Å; I518-K520 VanDerWaalsContact C-N 3.32Å; I518-K520 PolarHBondContact O-N 3.47Å; I518-E521 PolarHBondContact O-N 3.37Å; I518-K522 VanDerWaalsContact O-CB 3.31Å; I518-K522 WeakPolarHBondContact O-CB 3.24Å; I518-K522 PolarHBondContact O-N 3.49Å
519E73.9Confident73.1Confident95 Ų95107.9 Ų107.944%0.44452%0.52SS..Hα-helixtrans-67.1-36.9179.7-163.364.4-145.500111S515 K522 V523S515-E519 PolarHBondContact O-N 3.03Å; E519-K522 PolarHBondContact O-N 3.44Å; E519-K522 IonicContact OE1-NZ 2.68Å; E519-K522 PolarHBondContact OE1-NZ 3.38Å; E519-K522 IonicContact OE2-NZ 3.34Å; E519-K522 PolarHBondContact OE2-NZ 2.92Å; E519-V523 VanDerWaalsContact O-CG2 3.29Å; E519-V523 WeakPolarHBondContact O-CG2 3.47Å; E519-V523 PolarHBondContact O-N 3.49Å
520K77.4Confident74.1Confident135 Ų135109.7 Ų109.759%0.58752%0.52SS*.Hα-helixtrans-61.5-49174-173.5-173.1178.8-150.20111.6M516 E517 I518 K522 V523 E524M516-K520 VanDerWaalsContact O-CB 3.27Å; M516-K520 WeakPolarHBondContact O-CB 3.24Å; M516-K520 PolarHBondContact O-N 3.11Å; E517-K520 PolarHBondContact O-N 3.21Å; I518-K520 VanDerWaalsContact C-N 3.32Å; I518-K520 PolarHBondContact O-N 3.47Å; K520-K522 VanDerWaalsContact C-N 3.28Å; K520-K522 PolarHBondContact O-N 2.99Å; K520-V523 PolarHBondContact O-N 2.99Å; K520-E524 WeakPolarHBondContact CE-OE1 3.43Å; K520-E524 IonicContact NZ-OE1 3.53Å; K520-E524 WeakPolarHBondContact O-CG 3.39Å; K520-E524 PolarHBondContact O-N 3.09Å
521E72.3Confident75.1Confident136 Ų136111 Ų11164%0.63652%0.524SS*.Hα-helixtrans-60.7-39.7178.3-172.9174.8-165.100111.5E517 I518 E524 Y525E517-E521 WeakPolarHBondContact O-CB 3.47Å; E517-E521 PolarHBondContact O-N 2.92Å; I518-E521 PolarHBondContact O-N 3.37Å; E521-E524 PolarHBondContact O-N 2.89Å; E521-Y525 WeakPolarHBondContact O-CB 3.46Å; E521-Y525 PolarHBondContact O-N 2.93Å
522K71.9Confident76.3Confident103 Ų103107.9 Ų107.945%0.44851%0.509SS..Hα-helixtrans-65.6-41175.4-178.9-177.7159.3-141.60112.8I518 E519 K520 Y525 M526I518-K522 VanDerWaalsContact O-CB 3.31Å; I518-K522 WeakPolarHBondContact O-CB 3.24Å; I518-K522 PolarHBondContact O-N 3.49Å; E519-K522 PolarHBondContact O-N 3.44Å; E519-K522 IonicContact OE1-NZ 2.68Å; E519-K522 PolarHBondContact OE1-NZ 3.38Å; E519-K522 IonicContact OE2-NZ 3.34Å; E519-K522 PolarHBondContact OE2-NZ 2.92Å; K520-K522 VanDerWaalsContact C-N 3.28Å; K520-K522 PolarHBondContact O-N 2.99Å; K522-Y525 PolarHBondContact O-N 3.28Å; K522-M526 WeakPolarHBondContact O-CG 3.42Å; K522-M526 PolarHBondContact O-N 2.87Å
523V76.4Confident77.1Confident63 Ų63107 Ų10738%0.38251%0.507SS..Hα-helixtrans-63.9-47.5174.6169.90000110.3E519 K520 Y525 M526 E527E519-V523 VanDerWaalsContact O-CG2 3.29Å; E519-V523 WeakPolarHBondContact O-CG2 3.47Å; E519-V523 PolarHBondContact O-N 3.49Å; K520-V523 PolarHBondContact O-N 2.99Å; V523-Y525 VanDerWaalsContact C-N 3.3Å; V523-Y525 PolarHBondContact O-N 2.95Å; V523-M526 PolarHBondContact O-N 3.46Å; V523-M526 VanDerWaalsContact O-N 3.14Å; V523-E527 HydrophobicContact CG1-CG 4.49Å; V523-E527 PolarHBondContact O-N 2.8Å
524E76.3Confident77.9Confident77 Ų77103 Ų10336%0.3650%0.496SS..Hα-helixtrans-58.9-41.5176.7-73.7180-165.900111.7K520 E521 E527 K528K520-E524 WeakPolarHBondContact CE-OE1 3.43Å; K520-E524 IonicContact NZ-OE1 3.53Å; K520-E524 WeakPolarHBondContact O-CG 3.39Å; K520-E524 PolarHBondContact O-N 3.09Å; E521-E524 PolarHBondContact O-N 2.89Å; E524-E527 PolarHBondContact O-N 3.34Å; E524-K528 WeakPolarHBondContact O-CB 3.41Å; E524-K528 VanDerWaalsContact O-CG 3.29Å; E524-K528 WeakPolarHBondContact O-CG 3.29Å; E524-K528 PolarHBondContact O-N 2.96Å
525Y73.9Confident79.1Confident140 Ų14098.8 Ų98.855%0.54947%0.474SS..Hα-helixtrans-61.6-46.3174.7177-89.9000112E521 K522 V523 E527 K528 S529E521-Y525 WeakPolarHBondContact O-CB 3.46Å; E521-Y525 PolarHBondContact O-N 2.93Å; K522-Y525 PolarHBondContact O-N 3.28Å; V523-Y525 VanDerWaalsContact C-N 3.3Å; V523-Y525 PolarHBondContact O-N 2.95Å; Y525-E527 PolarHBondContact O-N 3.27Å; Y525-K528 PolarHBondContact O-N 3.47Å; Y525-S529 WeakPolarHBondContact O-CB 3.37Å; Y525-S529 PolarHBondContact O-N 3.46Å
526M71.5Confident80Confident118 Ų11896.9 Ų96.958%0.58146%0.458SS*.Hα-helixtrans-62.3-42.1178.3-78.5-178.146.600112.2K522 V523 S529 K530K522-M526 WeakPolarHBondContact O-CG 3.42Å; K522-M526 PolarHBondContact O-N 2.87Å; V523-M526 PolarHBondContact O-N 3.46Å; V523-M526 VanDerWaalsContact O-N 3.14Å; M526-S529 PolarHBondContact O-N 3Å; M526-K530 WeakPolarHBondContact O-CB 3.27Å; M526-K530 PolarHBondContact O-N 2.87Å
527E81.1Confident80.8Confident129 Ų12993.9 Ų93.960%0.60345%0.445SS*.Hα-helixtrans-63.7-46.8176.5-74.4-179.9170.400111.6V523 E524 Y525 S529 K530 H531V523-E527 HydrophobicContact CG1-CG 4.49Å; V523-E527 PolarHBondContact O-N 2.8Å; E524-E527 PolarHBondContact O-N 3.34Å; Y525-E527 PolarHBondContact O-N 3.27Å; E527-S529 PolarHBondContact O-N 3.23Å; E527-K530 PolarHBondContact O-N 3.4Å; E527-H531 WeakPolarHBondContact O-CB 3.31Å; E527-H531 PolarHBondContact O-N 3.46Å
528K81.1Confident81.8Confident119 Ų11993.3 Ų93.352%0.51744%0.442SS..Hα-helixtrans-60-44.8176.1-73.8174.9-177176.70112E524 Y525 H531 L532E524-K528 WeakPolarHBondContact O-CB 3.41Å; E524-K528 VanDerWaalsContact O-CG 3.29Å; E524-K528 WeakPolarHBondContact O-CG 3.29Å; E524-K528 PolarHBondContact O-N 2.96Å; Y525-K528 PolarHBondContact O-N 3.47Å; K528-H531 PolarHBondContact O-N 3.5Å; K528-L532 WeakPolarHBondContact O-CB 3.31Å; K528-L532 PolarHBondContact O-N 3.1Å
529S79.6Confident82.8Confident60 Ų6089.2 Ų89.242%0.4242%0.421SS..Hα-helixtrans-64.1-40.7178.3178.20000111.9Y525 M526 E527 Q533Y525-S529 WeakPolarHBondContact O-CB 3.37Å; Y525-S529 PolarHBondContact O-N 3.46Å; M526-S529 PolarHBondContact O-N 3Å; E527-S529 PolarHBondContact O-N 3.23Å; S529-Q533 PolarHBondContact O-N 2.91Å; S529-Q533 VanDerWaalsContact O-N 3.08Å
530K84.3Confident83.8Confident132 Ų13287 Ų8757%0.57441%0.41SS*.Hα-helixtrans-64.4-46.9175.7-172-173-179.6-122.70111.5M526 E527 L532 Q533 E534M526-K530 WeakPolarHBondContact O-CB 3.27Å; M526-K530 PolarHBondContact O-N 2.87Å; E527-K530 PolarHBondContact O-N 3.4Å; K530-L532 VanDerWaalsContact C-N 3.33Å; K530-L532 PolarHBondContact O-N 2.85Å; K530-Q533 PolarHBondContact O-N 3.06Å; K530-Q533 VanDerWaalsContact O-N 3.16Å; K530-E534 WeakPolarHBondContact CE-OE1 3.33Å; K530-E534 IonicContact NZ-OE1 3.22Å; K530-E534 PolarHBondContact NZ-OE1 3.05Å; K530-E534 WeakPolarHBondContact O-CG 3.26Å; K530-E534 PolarHBondContact O-N 3.26Å
531H88.3Confident84.5Confident90 Ų9085.3 Ų85.342%0.41741%0.411SS..Hα-helixtrans-60.1-43.6178.4-179.656.6000111.8E527 K528 Q533 E534 Q535E527-H531 WeakPolarHBondContact O-CB 3.31Å; E527-H531 PolarHBondContact O-N 3.46Å; K528-H531 PolarHBondContact O-N 3.5Å; H531-Q533 VanDerWaalsContact C-N 3.33Å; H531-Q533 PolarHBondContact O-N 2.94Å; H531-E534 PolarHBondContact O-N 2.98Å; H531-Q535 PolarHBondContact NE2-NE2 2.98Å; H531-Q535 WeakPolarHBondContact O-CG 3.38Å; H531-Q535 PolarHBondContact O-N 3.31Å
532L88.4Confident85.5Confident43 Ų4383 Ų8323%0.22540%0.4CS..Hα-helixtrans-58.5-44.4174.1175.862.7000111.9L140 I210 K528 K530 E534 Q535 L536L140-L532 HydrophobicContact CD2-CD1 3.38Å; I210-L532 HydrophobicContact CD1-CD1 3.86Å; I210-L532 HydrophobicContact CG1-CD1 3.97Å; I210-L532 HydrophobicContact CG1-CD2 4.01Å; K528-L532 WeakPolarHBondContact O-CB 3.31Å; K528-L532 PolarHBondContact O-N 3.1Å; K530-L532 VanDerWaalsContact C-N 3.33Å; K530-L532 PolarHBondContact O-N 2.85Å; L532-E534 VanDerWaalsContact C-N 3.33Å; L532-E534 PolarHBondContact O-N 3.24Å; L532-Q535 PolarHBondContact O-N 2.88Å; L532-L536 HydrophobicContact CD1-CD1 4.3Å; L532-L536 HydrophobicContact CD1-CG 4.31Å; L532-L536 HydrophobicContact CG-CD1 4.25Å; L532-L536 WeakPolarHBondContact O-CG 3.31Å; L532-L536 PolarHBondContact O-N 3.49Å
533Q87.2Confident86.4Confident104 Ų10478 Ų7849%0.48638%0.379SS..Hα-helixtrans-65.3-37.6178.2-171.763.848.100112.2S529 K530 H531 N537S529-Q533 PolarHBondContact O-N 2.91Å; S529-Q533 VanDerWaalsContact O-N 3.08Å; K530-Q533 PolarHBondContact O-N 3.06Å; K530-Q533 VanDerWaalsContact O-N 3.16Å; H531-Q533 VanDerWaalsContact C-N 3.33Å; H531-Q533 PolarHBondContact O-N 2.94Å; Q533-N537 PolarHBondContact NE2-OD1 3.28Å; Q533-N537 WeakPolarHBondContact O-CB 3.5Å; Q533-N537 PolarHBondContact O-N 3.35Å; Q533-N537 PolarHBondContact O-ND2 3.41Å
534E90.9Very high87.2Confident92 Ų9278.6 Ų78.643%0.4338%0.377SS..Hα-helixtrans-62.9-48.5174.5-72.7169.5179.500110.6K530 H531 L532 L536 N537 E538K530-E534 WeakPolarHBondContact CE-OE1 3.33Å; K530-E534 IonicContact NZ-OE1 3.22Å; K530-E534 PolarHBondContact NZ-OE1 3.05Å; K530-E534 WeakPolarHBondContact O-CG 3.26Å; K530-E534 PolarHBondContact O-N 3.26Å; H531-E534 PolarHBondContact O-N 2.98Å; L532-E534 VanDerWaalsContact C-N 3.33Å; L532-E534 PolarHBondContact O-N 3.24Å; E534-L536 PolarHBondContact O-N 2.94Å; E534-N537 PolarHBondContact O-N 2.69Å; E534-E538 WeakPolarHBondContact O-CB 3.46Å; E534-E538 PolarHBondContact O-N 2.71Å
535Q91.8Very high88Confident14 Ų1479.9 Ų79.97%0.06540%0.395CS..Hα-helixtrans-59-45.1176.3-74.2-178.4-4600112.7E194 H531 L532 N537 E538 L539E194-Q535 PolarHBondContact OE2-NE2 3.22Å; H531-Q535 PolarHBondContact NE2-NE2 2.98Å; H531-Q535 WeakPolarHBondContact O-CG 3.38Å; H531-Q535 PolarHBondContact O-N 3.31Å; L532-Q535 PolarHBondContact O-N 2.88Å; Q535-N537 VanDerWaalsContact C-N 3.34Å; Q535-N537 PolarHBondContact O-N 3.29Å; Q535-E538 PolarHBondContact O-N 2.99Å; Q535-L539 WeakPolarHBondContact O-CB 3.49Å; Q535-L539 WeakPolarHBondContact O-CG 3.44Å; Q535-L539 PolarHBondContact O-N 2.96Å
536L92.7Very high88.9Confident27 Ų2775.4 Ų75.414%0.14138%0.38CS..Hα-helixtrans-64.1-39.9177.7-71.5174.9000111.9E136 A137 L140 L532 E534 K540E136-L536 HydrophobicContact CB-CD2 4.44Å; E136-L536 HydrophobicContact CG-CB 4.45Å; E136-L536 HydrophobicContact CG-CD2 4.24Å; A137-L536 HydrophobicContact CB-CD2 4.15Å; L140-L536 HydrophobicContact CB-CD2 4.35Å; L140-L536 HydrophobicContact CD2-CD2 3.81Å; L140-L536 HydrophobicContact CD2-CG 4.26Å; L532-L536 HydrophobicContact CD1-CD1 4.3Å; L532-L536 HydrophobicContact CD1-CG 4.31Å; L532-L536 HydrophobicContact CG-CD1 4.25Å; L532-L536 WeakPolarHBondContact O-CG 3.31Å; L532-L536 PolarHBondContact O-N 3.49Å; E534-L536 PolarHBondContact O-N 2.94Å; L536-K540 VanDerWaalsContact O-CB 3.28Å; L536-K540 WeakPolarHBondContact O-CB 3.37Å; L536-K540 PolarHBondContact O-N 2.61Å
537N92.4Very high90Very high81 Ų8171.3 Ų71.343%0.43336%0.359SS..Hα-helixtrans-67.1-41.8177-74.4-18.4000111.7Q533 E534 Q535 K540 T541Q533-N537 PolarHBondContact NE2-OD1 3.28Å; Q533-N537 WeakPolarHBondContact O-CB 3.5Å; Q533-N537 PolarHBondContact O-N 3.35Å; Q533-N537 PolarHBondContact O-ND2 3.41Å; E534-N537 PolarHBondContact O-N 2.69Å; Q535-N537 VanDerWaalsContact C-N 3.34Å; Q535-N537 PolarHBondContact O-N 3.29Å; N537-K540 WeakPolarHBondContact O-CB 3.33Å; N537-K540 PolarHBondContact O-N 2.85Å; N537-T541 WeakPolarHBondContact O-CG2 3.41Å; N537-T541 PolarHBondContact O-N 3.35Å; N537-T541 PolarHBondContact O-OG1 2.92Å
538E93.9Very high90.6Very high108 Ų10866.7 Ų66.751%0.50534%0.338SS..Hα-helixtrans-60-54176.1-177.9166.9-153.800110.8E534 Q535 K540 T541 E542E534-E538 WeakPolarHBondContact O-CB 3.46Å; E534-E538 PolarHBondContact O-N 2.71Å; Q535-E538 PolarHBondContact O-N 2.99Å; E538-K540 VanDerWaalsContact C-N 3.28Å; E538-K540 PolarHBondContact O-N 3.42Å; E538-T541 PolarHBondContact O-N 3.36Å; E538-T541 PolarHBondContact O-OG1 3.43Å; E538-E542 WeakPolarHBondContact O-CG 3.44Å; E538-E542 PolarHBondContact O-N 2.94Å
539L93.6Very high91.1Very high8 Ų868.1 Ų68.14%0.04235%0.345CS..Hα-helixtrans-54.3-45.3175.5-77.3170.8000111.9E136 V139 L140 Q535 T541 E542 I543E136-L539 HydrophobicContact CB-CB 4.08Å; V139-L539 HydrophobicContact CB-CD1 4.45Å; V139-L539 HydrophobicContact CG1-CD1 4.38Å; V139-L539 HydrophobicContact CG1-CD2 3.92Å; L140-L539 HydrophobicContact CB-CD1 4.03Å; Q535-L539 WeakPolarHBondContact O-CB 3.49Å; Q535-L539 WeakPolarHBondContact O-CG 3.44Å; Q535-L539 PolarHBondContact O-N 2.96Å; L539-T541 VanDerWaalsContact C-N 3.33Å; L539-T541 PolarHBondContact O-N 3.07Å; L539-E542 PolarHBondContact O-N 3.09Å; L539-I543 WeakPolarHBondContact O-CG1 3.3Å; L539-I543 VanDerWaalsContact O-CG2 3.23Å; L539-I543 WeakPolarHBondContact O-CG2 3.38Å; L539-I543 PolarHBondContact O-N 2.87Å; L539-I543 VanDerWaalsContact O-N 3.1Å
540K93.5Very high91.8Very high47 Ų4772.3 Ų72.320%0.20436%0.357CS..Hα-helixtrans-56.7-47.6176.3-175.1173.5-171.3152.80111.3E136 L536 N537 E538 E542 I543 E544E136-K540 HydrophobicContact CB-CB 4.11Å; E136-K540 HydrophobicContact CG-CB 4.29Å; E136-K540 IonicContact OE1-NZ 3.74Å; L536-K540 VanDerWaalsContact O-CB 3.28Å; L536-K540 WeakPolarHBondContact O-CB 3.37Å; L536-K540 PolarHBondContact O-N 2.61Å; N537-K540 WeakPolarHBondContact O-CB 3.33Å; N537-K540 PolarHBondContact O-N 2.85Å; E538-K540 VanDerWaalsContact C-N 3.28Å; E538-K540 PolarHBondContact O-N 3.42Å; K540-E542 PolarHBondContact O-N 3.42Å; K540-I543 WeakPolarHBondContact O-CG1 3.48Å; K540-I543 PolarHBondContact O-N 2.89Å; K540-E544 WeakPolarHBondContact O-CB 3.31Å; K540-E544 PolarHBondContact O-N 3.46Å
541T93.6Very high92.2Very high101 Ų10172.2 Ų72.262%0.6235%0.353SS*.Hα-helixtrans-65.4-37.2179.655.10000113.4N537 E538 L539N537-T541 WeakPolarHBondContact O-CG2 3.41Å; N537-T541 PolarHBondContact O-N 3.35Å; N537-T541 PolarHBondContact O-OG1 2.92Å; E538-T541 PolarHBondContact O-N 3.36Å; E538-T541 PolarHBondContact O-OG1 3.43Å; L539-T541 VanDerWaalsContact C-N 3.33Å; L539-T541 PolarHBondContact O-N 3.07Å
542E92.3Very high92.5Very high86 Ų8670.2 Ų70.240%0.40234%0.344SS..Hα-helixtrans-65.6-38.5178.3-71-179.9175.600112.5R187 E538 L539 K540R187-E542 PolarHBondContact NH2-O 2.88Å; E538-E542 WeakPolarHBondContact O-CG 3.44Å; E538-E542 PolarHBondContact O-N 2.94Å; L539-E542 PolarHBondContact O-N 3.09Å; K540-E542 PolarHBondContact O-N 3.42Å
543I92.4Very high92.8Very high0 Ų070.2 Ų70.20%035%0.346CS..Hα-helixtrans-87.1-25.7-174.475.2178.8000112.6P135 Y177 R187 L539 K540 S545 L546P135-I543 HydrophobicContact CB-CD1 3.56Å; Y177-I543 HydrophobicContact CD1-CB 4.21Å; Y177-I543 HydrophobicContact CD1-CG1 4.48Å; Y177-I543 WeakPolarHBondContact CD1-O 3.45Å; Y177-I543 HydrophobicContact CE1-CB 3.82Å; Y177-I543 HydrophobicContact CE1-CD1 3.96Å; Y177-I543 HydrophobicContact CE1-CG1 3.61Å; Y177-I543 WeakPolarHBondContact CE1-O 3.41Å; Y177-I543 HydrophobicContact CE2-CD1 4.18Å; Y177-I543 WeakPolarHBondContact OH-CD1 3.37Å; R187-I543 VanDerWaalsContact NH1-CA 3.33Å; L539-I543 WeakPolarHBondContact O-CG1 3.3Å; L539-I543 VanDerWaalsContact O-CG2 3.23Å; L539-I543 WeakPolarHBondContact O-CG2 3.38Å; L539-I543 PolarHBondContact O-N 2.87Å; L539-I543 VanDerWaalsContact O-N 3.1Å; K540-I543 WeakPolarHBondContact O-CG1 3.48Å; K540-I543 PolarHBondContact O-N 2.89Å; I543-S545 VanDerWaalsContact C-N 3.27Å; I543-S545 PolarHBondContact O-N 3.34Å; I543-S545 VanDerWaalsContact O-N 3.15Å; I543-L546 PolarHBondContact O-N 2.99Å; I543-L546 VanDerWaalsContact O-N 3.11Å
544E92.6Very high93.2Very high75 Ų7569.8 Ų69.835%0.3535%0.352SS..Hα-helixtrans-56.7-35.6-171-168.963-159.700113.9K540 L546 K547K540-E544 WeakPolarHBondContact O-CB 3.31Å; K540-E544 PolarHBondContact O-N 3.46Å; E544-L546 PolarHBondContact O-N 3.44Å; E544-K547 VanDerWaalsContact O-CB 3.24Å; E544-K547 WeakPolarHBondContact O-CB 3.49Å; E544-K547 PolarHBondContact O-N 3.41Å; E544-K547 VanDerWaalsContact O-N 3.14Å
545S92.2Very high93.4Very high104 Ų10467.3 Ų67.373%0.72734%0.342SS*.THydrogen-bonded Turntrans-63.4-22.7-17864.70000114.1I543I543-S545 VanDerWaalsContact C-N 3.27Å; I543-S545 PolarHBondContact O-N 3.34Å; I543-S545 VanDerWaalsContact O-N 3.15Å
546L93.4Very high93.5Very high46 Ų4666.9 Ų66.924%0.24134%0.34CS..THydrogen-bonded Turntrans-103.26-178.7-60.5175.1000112.6Y177 Q178 M179 M183 I543 E544Y177-L546 CarbonylContact C-O 3.58Å; Y177-L546 WeakPolarHBondContact CA-O 3.47Å; Y177-L546 HydrophobicContact CD1-CB 4.42Å; Q178-L546 PolarHBondContact N-O 3.37Å; M179-L546 HydrophobicContact CG-CB 4.37Å; M179-L546 HydrophobicContact CG-CD1 3.65Å; M179-L546 HydrophobicContact SD-CD1 4.41Å; M183-L546 HydrophobicContact CE-CD1 3.45Å; M183-L546 VanDerWaalsContact CE-CD1 3.45Å; I543-L546 PolarHBondContact O-N 2.99Å; I543-L546 VanDerWaalsContact O-N 3.11Å; E544-L546 PolarHBondContact O-N 3.44Å
547K94.6Very high93.6Very high32 Ų3269.1 Ų69.114%0.13935%0.351CS..BIsolated β-bridgetrans-73.7132.7-176.3-167.6176.7173.9-173.30111.6L176 Y177 E544 E552 N560L176-K547 HydrophobicContact CD1-CG 4.37Å; L176-K547 HydrophobicContact CG-CG 4.25Å; Y177-K547 HydrophobicContact CD1-CB 3.9Å; Y177-K547 HydrophobicContact CD1-CG 4.36Å; Y177-K547 HydrophobicContact CE1-CB 3.55Å; Y177-K547 HydrophobicContact CE1-CD 4.28Å; Y177-K547 HydrophobicContact CE1-CG 3.82Å; E544-K547 VanDerWaalsContact O-CB 3.24Å; E544-K547 WeakPolarHBondContact O-CB 3.49Å; E544-K547 PolarHBondContact O-N 3.41Å; E544-K547 VanDerWaalsContact O-N 3.14Å; K547-E552 WeakPolarHBondContact CE-OE1 3.44Å; K547-E552 IonicContact NZ-OE1 2.7Å; K547-E552 PolarHBondContact NZ-OE1 2.91Å; K547-N560 PolarHBondContact NZ-ND2 3.31Å
548L94.3Very high93.7Very high31 Ų3166.5 Ų66.516%0.16234%0.337CS..  trans-97.996.4177-61.7175.6000109.7L176 Q178 E550 R551L176-L548 WeakPolarHBondContact O-CB 3.45Å; L176-L548 PolarHBondContact O-N 3.02Å; Q178-L548 HydrophobicContact CB-CD1 4.38Å; Q178-L548 HydrophobicContact CB-CD2 4.37Å; Q178-L548 HydrophobicContact CB-CG 4.44Å; L548-E550 PolarHBondContact O-N 2.87Å; L548-R551 HydrophobicContact CB-CB 4.3Å; L548-R551 HydrophobicContact CB-CG 4.05Å; L548-R551 PolarHBondContact O-N 2.92Å
549K91.5Very high93.7Very high150 Ų15062.6 Ų62.665%0.65232%0.319SS*.G310 helixtrans-57.5-33.6-174.5-69.3-170.7176.9-1740113.2R551 E552K549-R551 PolarHBondContact O-N 3.29Å; K549-E552 PolarHBondContact O-N 2.99Å
550E93.1Very high93.7Very high147 Ų14763.6 Ų63.669%0.68732%0.324SS*.G310 helixtrans-66.9-13.3177.668.2-79.1-176.200114.1L548L548-E550 PolarHBondContact O-N 2.87Å
551R93.9Very high93.7Very high131 Ų13165.9 Ų65.949%0.49434%0.335SS..G310 helixtrans-101.41.8178.1-60.3-172.6179.2-174.9-1113.4N175 L176 L548 K549 T553N175-R551 WeakPolarHBondContact O-CD 3.45Å; N175-R551 PolarHBondContact O-NH1 3.3Å; L176-R551 HydrophobicContact CD1-CB 4.19Å; L548-R551 HydrophobicContact CB-CB 4.3Å; L548-R551 HydrophobicContact CB-CG 4.05Å; L548-R551 PolarHBondContact O-N 2.92Å; K549-R551 PolarHBondContact O-N 3.29Å; R551-T553 PolarHBondContact O-N 2.96Å
552E94.1Very high93.6Very high48 Ų4861.8 Ų61.822%0.22431%0.31CS..  trans-62.6128.2175.7-72.9-173120.400110.9L176 K547 K549 D556 I557 N560L176-E552 HydrophobicContact CD1-CB 4.5Å; L176-E552 HydrophobicContact CD1-CG 3.8Å; K547-E552 WeakPolarHBondContact CE-OE1 3.44Å; K547-E552 IonicContact NZ-OE1 2.7Å; K547-E552 PolarHBondContact NZ-OE1 2.91Å; K549-E552 PolarHBondContact O-N 2.99Å; E552-D556 HydrophobicContact CB-CB 4.28Å; E552-I557 HydrophobicContact CB-CG1 4.08Å; E552-N560 PolarHBondContact OE1-ND2 2.92Å
553T94.8Very high93.5Very high43 Ų4360.6 Ų60.626%0.26431%0.309SS..  trans-77.6160.7173.370.40000110.4R172 R551 L555 D556 I557R172-T553 HydrophobicContact CG-CG2 3.82Å; R551-T553 PolarHBondContact O-N 2.96Å; T553-L555 PolarHBondContact O-N 2.82Å; T553-L555 VanDerWaalsContact O-N 3.16Å; T553-D556 VanDerWaalsContact CB-OD2 3.29Å; T553-D556 WeakPolarHBondContact CB-OD2 3.35Å; T553-D556 WeakPolarHBondContact CG2-OD2 3.36Å; T553-D556 PolarHBondContact N-OD2 2.92Å; T553-D556 WeakPolarHBondContact O-CB 3.31Å; T553-D556 PolarHBondContact O-N 3.24Å; T553-D556 PolarHBondContact OG1-N 3.4Å; T553-D556 PolarHBondContact OG1-OD2 3.35Å; T553-I557 PolarHBondContact O-N 3.06Å; T553-I557 VanDerWaalsContact O-N 3.15Å
554P94.9Very high93.3Very high94 Ų9468.6 Ų68.661%0.6135%0.346SS*.Hα-helixtrans-54.2-35.5175-2835.9000113.6I557 I558P554-I557 PolarHBondContact O-N 2.97Å; P554-I558 WeakPolarHBondContact O-CD1 3.41Å; P554-I558 VanDerWaalsContact O-CG1 3.27Å; P554-I558 WeakPolarHBondContact O-CG1 3.4Å; P554-I558 PolarHBondContact O-N 2.94Å; P554-I558 VanDerWaalsContact O-N 3.12Å
555L94.7Very high93.1Very high41 Ų4171.5 Ų71.522%0.21536%0.36CS..Hα-helixtrans-71.3-35177.2-63.3178.8000112.1H132 M216 L250 T553 I557 I558 H559H132-L555 HydrophobicContact CB-CD1 4.35Å; M216-L555 HydrophobicContact SD-CD1 4.46Å; L250-L555 HydrophobicContact CD1-CB 4.36Å; L250-L555 HydrophobicContact CD1-CD2 4.49Å; L250-L555 WeakPolarHBondContact CD1-O 3.46Å; L250-L555 HydrophobicContact CD2-CD2 4.45Å; L250-L555 HydrophobicContact CG-CD2 4.06Å; T553-L555 PolarHBondContact O-N 2.82Å; T553-L555 VanDerWaalsContact O-N 3.16Å; L555-I557 VanDerWaalsContact C-N 3.33Å; L555-I557 PolarHBondContact O-N 2.84Å; L555-I558 PolarHBondContact O-N 2.88Å; L555-H559 VanDerWaalsContact O-CB 3.32Å; L555-H559 WeakPolarHBondContact O-CB 3.29Å; L555-H559 PolarHBondContact O-N 2.9Å
556D94.8Very high92.8Very high5 Ų569.7 Ų69.73%0.02736%0.357CS..Hα-helixtrans-61-44.2173.7-62.8-49.7000111.1H132 R172 E552 T553 H559 N560H132-D556 IonicContact CE1-OD1 3.9Å; H132-D556 PolarHBondContact CE1-OD1 3.06Å; H132-D556 VanDerWaalsContact CE1-OD1 3.26Å; R172-D556 IonicContact CZ-OD1 3.69Å; R172-D556 IonicContact NE-OD1 3.3Å; R172-D556 IonicContact NH1-OD1 3.23Å; R172-D556 PolarHBondContact NH1-OD1 3.35Å; R172-D556 IonicContact NH1-OD2 2.69Å; E552-D556 HydrophobicContact CB-CB 4.28Å; T553-D556 VanDerWaalsContact CB-OD2 3.29Å; T553-D556 WeakPolarHBondContact CB-OD2 3.35Å; T553-D556 WeakPolarHBondContact CG2-OD2 3.36Å; T553-D556 PolarHBondContact N-OD2 2.92Å; T553-D556 WeakPolarHBondContact O-CB 3.31Å; T553-D556 PolarHBondContact O-N 3.24Å; T553-D556 PolarHBondContact OG1-N 3.4Å; T553-D556 PolarHBondContact OG1-OD2 3.35Å; D556-H559 PolarHBondContact O-N 3.32Å; D556-N560 WeakPolarHBondContact O-CB 3.34Å; D556-N560 VanDerWaalsContact O-CG 3.22Å; D556-N560 PolarHBondContact O-N 3.44Å; D556-N560 PolarHBondContact O-ND2 3.44Å
557I95.2Very high92.5Very high74 Ų7468.8 Ų68.838%0.37935%0.354SS..Hα-helixtrans-63.2-46.6179.4-61.8168.6000110.3E552 T553 P554 L555 N560 Q561E552-I557 HydrophobicContact CB-CG1 4.08Å; T553-I557 PolarHBondContact O-N 3.06Å; T553-I557 VanDerWaalsContact O-N 3.15Å; P554-I557 PolarHBondContact O-N 2.97Å; L555-I557 VanDerWaalsContact C-N 3.33Å; L555-I557 PolarHBondContact O-N 2.84Å; I557-N560 PolarHBondContact O-N 2.86Å; I557-Q561 VanDerWaalsContact O-CG 3.3Å; I557-Q561 WeakPolarHBondContact O-CG 3.27Å; I557-Q561 PolarHBondContact O-N 3.36Å
558I94.9Very high92.1Very high25 Ų2570.2 Ų70.213%0.12837%0.367CS..Hα-helixtrans-62.9-43.6177.8-67.2162.7000110.7N248 L250 P554 L555 Q561 N562N248-I558 HydrophobicContact CB-CD1 3.91Å; L250-I558 HydrophobicContact CB-CG2 4.26Å; L250-I558 HydrophobicContact CD1-CB 4.3Å; L250-I558 HydrophobicContact CD1-CG2 4.08Å; L250-I558 HydrophobicContact CG-CG2 4.49Å; P554-I558 WeakPolarHBondContact O-CD1 3.41Å; P554-I558 VanDerWaalsContact O-CG1 3.27Å; P554-I558 WeakPolarHBondContact O-CG1 3.4Å; P554-I558 PolarHBondContact O-N 2.94Å; P554-I558 VanDerWaalsContact O-N 3.12Å; L555-I558 PolarHBondContact O-N 2.88Å; I558-Q561 PolarHBondContact O-N 3.39Å; I558-N562 VanDerWaalsContact O-CG 3.29Å; I558-N562 PolarHBondContact O-N 3.34Å
559H94.3Very high91.8Very high26 Ų2670.4 Ų70.412%0.1237%0.367CS..Hα-helixtrans-60.3-47177.5178.875.9000111.3P134 L250 L555 D556 Q561 N562 T563P134-H559 WeakPolarHBondContact CB-NE2 3.4Å; L250-H559 HydrophobicContact CD1-CB 3.8Å; L555-H559 VanDerWaalsContact O-CB 3.32Å; L555-H559 WeakPolarHBondContact O-CB 3.29Å; L555-H559 PolarHBondContact O-N 2.9Å; D556-H559 PolarHBondContact O-N 3.32Å; H559-Q561 VanDerWaalsContact C-N 3.34Å; H559-Q561 PolarHBondContact O-N 3.37Å; H559-N562 WeakPolarHBondContact O-CB 3.32Å; H559-N562 PolarHBondContact O-N 2.95Å; H559-T563 PolarHBondContact NE2-OG1 2.83Å; H559-T563 PolarHBondContact O-N 3.45Å; H559-T563 PolarHBondContact O-OG1 2.97Å; H559-T563 VanDerWaalsContact O-OG1 3.12Å
560N92.6Very high91.6Very high29 Ų2968 Ų6816%0.15536%0.358CS..Hα-helixtrans-60.6-42.9177.9-70.1-28.5000111.7K547 E552 D556 I557 N562 T563 E564K547-N560 PolarHBondContact NZ-ND2 3.31Å; E552-N560 PolarHBondContact OE1-ND2 2.92Å; D556-N560 WeakPolarHBondContact O-CB 3.34Å; D556-N560 VanDerWaalsContact O-CG 3.22Å; D556-N560 PolarHBondContact O-N 3.44Å; D556-N560 PolarHBondContact O-ND2 3.44Å; I557-N560 PolarHBondContact O-N 2.86Å; N560-N562 PolarHBondContact O-N 2.94Å; N560-T563 PolarHBondContact O-N 3.24Å; N560-E564 WeakPolarHBondContact O-CG 3.46Å; N560-E564 PolarHBondContact O-N 2.76Å
561Q93.4Very high91.3Very high95 Ų9563 Ų6344%0.44434%0.34SS..Hα-helixtrans-61.7-42.5174.7-72.1173.14.200112.6I557 I558 H559 T563 E564 Q565I557-Q561 VanDerWaalsContact O-CG 3.3Å; I557-Q561 WeakPolarHBondContact O-CG 3.27Å; I557-Q561 PolarHBondContact O-N 3.36Å; I558-Q561 PolarHBondContact O-N 3.39Å; H559-Q561 VanDerWaalsContact C-N 3.34Å; H559-Q561 PolarHBondContact O-N 3.37Å; Q561-T563 VanDerWaalsContact C-N 3.32Å; Q561-T563 PolarHBondContact O-N 2.98Å; Q561-E564 PolarHBondContact O-N 3.39Å; Q561-Q565 VanDerWaalsContact O-CG 3.29Å; Q561-Q565 WeakPolarHBondContact O-CG 3.34Å; Q561-Q565 PolarHBondContact O-N 3.47Å; Q561-Q565 VanDerWaalsContact O-N 3.09Å
562N91.7Very high91Very high15 Ų1557.5 Ų57.58%0.0832%0.32CS..Hα-helixtrans-61.9-42.2176.8-74.5-15.2000111.2T251 I558 H559 N560 Q565 G566 T567T251-N562 PolarHBondContact OG1-ND2 2.88Å; T251-N562 PolarHBondContact OG1-OD1 3.3Å; I558-N562 VanDerWaalsContact O-CG 3.29Å; I558-N562 PolarHBondContact O-N 3.34Å; H559-N562 WeakPolarHBondContact O-CB 3.32Å; H559-N562 PolarHBondContact O-N 2.95Å; N560-N562 PolarHBondContact O-N 2.94Å; N562-Q565 PolarHBondContact O-N 3.34Å; N562-G566 PolarHBondContact O-N 3.29Å; N562-T567 VanDerWaalsContact CA-OG1 3.29Å; N562-T567 WeakPolarHBondContact CA-OG1 3.48Å; N562-T567 WeakPolarHBondContact CB-OG1 3.41Å; N562-T567 PolarHBondContact O-N 3.44Å; N562-T567 PolarHBondContact O-OG1 2.93Å
563T89.3Confident90.7Very high62 Ų6257.2 Ų57.238%0.3832%0.318SS..Hα-helixtrans-66.7-42.9178.9-63.30000111.7H559 N560 Q561 Q565 G566H559-T563 PolarHBondContact NE2-OG1 2.83Å; H559-T563 PolarHBondContact O-N 3.45Å; H559-T563 PolarHBondContact O-OG1 2.97Å; H559-T563 VanDerWaalsContact O-OG1 3.12Å; N560-T563 PolarHBondContact O-N 3.24Å; Q561-T563 VanDerWaalsContact C-N 3.32Å; Q561-T563 PolarHBondContact O-N 2.98Å; T563-Q565 VanDerWaalsContact C-N 3.26Å; T563-Q565 PolarHBondContact O-N 2.92Å; T563-G566 PolarHBondContact O-N 2.95Å
564E89.7Confident90.4Very high168 Ų16861.6 Ų61.679%0.78533%0.333SS*.Hα-helixtrans-61.3-34174.2-74.7174.8-175.400112.6N560 Q561 G566N560-E564 WeakPolarHBondContact O-CG 3.46Å; N560-E564 PolarHBondContact O-N 2.76Å; Q561-E564 PolarHBondContact O-N 3.39Å; E564-G566 PolarHBondContact O-N 3.25Å
565Q88.8Confident90.2Very high136 Ų13663.8 Ų63.864%0.63633%0.333SS*.THydrogen-bonded Turntrans-79.3-2.2174.8-67.9176.523.300113.4Q561 N562 T563 T567Q561-Q565 VanDerWaalsContact O-CG 3.29Å; Q561-Q565 WeakPolarHBondContact O-CG 3.34Å; Q561-Q565 PolarHBondContact O-N 3.47Å; Q561-Q565 VanDerWaalsContact O-N 3.09Å; N562-Q565 PolarHBondContact O-N 3.34Å; T563-Q565 VanDerWaalsContact C-N 3.26Å; T563-Q565 PolarHBondContact O-N 2.92Å; Q565-T567 HydrophobicContact CB-CG2 4Å; Q565-T567 PolarHBondContact O-N 2.94Å
566G85.6Confident89.9Confident65 Ų6563.1 Ų63.167%0.6733%0.33SS*.THydrogen-bonded Turntrans64.329.2-17600000113.1N562 T563 E564N562-G566 PolarHBondContact O-N 3.29Å; T563-G566 PolarHBondContact O-N 2.95Å; E564-G566 PolarHBondContact O-N 3.25Å
567T86.7Confident89.5Confident28 Ų2864.5 Ų64.517%0.17234%0.339CS..  trans-97133.2179.363.40000111.2N562 Q565N562-T567 VanDerWaalsContact CA-OG1 3.29Å; N562-T567 WeakPolarHBondContact CA-OG1 3.48Å; N562-T567 WeakPolarHBondContact CB-OG1 3.41Å; N562-T567 PolarHBondContact O-N 3.44Å; N562-T567 PolarHBondContact O-OG1 2.93Å; Q565-T567 HydrophobicContact CB-CG2 4Å; Q565-T567 PolarHBondContact O-N 2.94Å
568S86.7Confident89.2Confident61 Ų6168.3 Ų68.343%0.42736%0.359SS..  trans-119.2166.5173.371.60000111Q570 S571 N572S568-Q570 VanDerWaalsContact C-N 3.25Å; S568-Q570 PolarHBondContact O-N 2.91Å; S568-S571 PolarHBondContact N-OG 2.89Å; S568-S571 PolarHBondContact O-N 3.37Å; S568-S571 VanDerWaalsContact O-N 3.16Å; S568-S571 PolarHBondContact O-OG 3.29Å; S568-S571 VanDerWaalsContact O-OG 3.1Å; S568-S571 PolarHBondContact OG-N 3.3Å; S568-S571 PolarHBondContact OG-OG 3.3Å; S568-N572 VanDerWaalsContact O-CB 3.31Å; S568-N572 WeakPolarHBondContact O-CB 3.2Å; S568-N572 PolarHBondContact O-N 3.1Å; S568-N572 PolarHBondContact O-ND2 2.97Å
569K88.3Confident88.8Confident36 Ų3671.8 Ų71.816%0.15738%0.375CS..Hα-helixtrans-45.4-50171.9-176.2-178.6-171.71690112.4Q212 L214 Y217 F573Q212-K569 PolarHBondContact O-NZ 3.28Å; L214-K569 WeakPolarHBondContact O-CD 3.44Å; L214-K569 PolarHBondContact O-NZ 2.87Å; Y217-K569 PolarHBondContact O-NZ 3.46Å; K569-F573 WeakPolarHBondContact O-CB 3.41Å; K569-F573 PolarHBondContact O-N 2.68Å
570Q85.5Confident88.5Confident98 Ų9873.6 Ų73.646%0.45839%0.39SS..Hα-helixtrans-69.9-41.2-178.5-60.2-170.617.900112.8D213 S568 K574D213-Q570 PolarHBondContact OD1-NE2 2.86Å; S568-Q570 VanDerWaalsContact C-N 3.25Å; S568-Q570 PolarHBondContact O-N 2.91Å; Q570-K574 WeakPolarHBondContact O-CG 3.38Å; Q570-K574 PolarHBondContact O-N 3.13Å
571S87.4Confident88.3Confident44 Ų4473.4 Ų73.431%0.30839%0.39SS..Hα-helixtrans-69.4-38.3179.573.90000111.5S568 K574 K575S568-S571 PolarHBondContact N-OG 2.89Å; S568-S571 PolarHBondContact O-N 3.37Å; S568-S571 VanDerWaalsContact O-N 3.16Å; S568-S571 PolarHBondContact O-OG 3.29Å; S568-S571 VanDerWaalsContact O-OG 3.1Å; S568-S571 PolarHBondContact OG-N 3.3Å; S568-S571 PolarHBondContact OG-OG 3.3Å; S571-K574 PolarHBondContact O-N 3.18Å; S571-K575 VanDerWaalsContact O-CB 3.31Å; S571-K575 WeakPolarHBondContact O-CB 3.45Å; S571-K575 PolarHBondContact O-N 2.95Å
572N87.7Confident88.1Confident15 Ų1575.2 Ų75.28%0.0840%0.396CS..Hα-helixtrans-63.1-46.4175.4-79.9-30.5000111.1S568 K574 K575 L576S568-N572 VanDerWaalsContact O-CB 3.31Å; S568-N572 WeakPolarHBondContact O-CB 3.2Å; S568-N572 PolarHBondContact O-N 3.1Å; S568-N572 PolarHBondContact O-ND2 2.97Å; N572-K574 PolarHBondContact O-N 3.06Å; N572-K575 PolarHBondContact O-N 3.38Å; N572-L576 VanDerWaalsContact O-CG 3.3Å; N572-L576 WeakPolarHBondContact O-CG 3.34Å; N572-L576 PolarHBondContact O-N 3.29Å
573F88.4Confident88.1Confident42 Ų4277.5 Ų77.518%0.18441%0.413CS..Hα-helixtrans-59.2-47.4174.9-177.8-108.7000112.2L239 H242 P257 K569 K575 L576 T577L239-F573 HydrophobicContact CB-CE2 4.25Å; L239-F573 HydrophobicContact CB-CZ 4.04Å; H242-F573 AromaticContact CE1-CD2 3.54Å; H242-F573 AromaticContact CE1-CE2 3.55Å; P257-F573 HydrophobicContact CB-CZ 4.24Å; P257-F573 HydrophobicContact CG-CE2 4.26Å; P257-F573 HydrophobicContact CG-CZ 3.83Å; K569-F573 WeakPolarHBondContact O-CB 3.41Å; K569-F573 PolarHBondContact O-N 2.68Å; F573-K575 PolarHBondContact O-N 3.03Å; F573-L576 PolarHBondContact O-N 3.47Å; F573-T577 HydrophobicContact CD1-CG2 4.48Å; F573-T577 HydrophobicContact CD2-CG2 4.13Å; F573-T577 HydrophobicContact CE1-CG2 4.22Å; F573-T577 HydrophobicContact CE2-CG2 3.86Å; F573-T577 HydrophobicContact CG-CG2 4.46Å; F573-T577 HydrophobicContact CZ-CG2 3.92Å; F573-T577 WeakPolarHBondContact O-CB 3.46Å; F573-T577 PolarHBondContact O-N 2.9Å; F573-T577 WeakPolarHBondContact O-CG2 3.39Å; F573-T577 PolarHBondContact O-OG1 3.32Å
574K88.4Confident88.2Confident135 Ų13574.7 Ų74.759%0.58740%0.396SS*.Hα-helixtrans-58.9-46.1175.9-74.1173.1-177.8172.10111.5Q570 S571 N572 L576 T577 L578Q570-K574 WeakPolarHBondContact O-CG 3.38Å; Q570-K574 PolarHBondContact O-N 3.13Å; S571-K574 PolarHBondContact O-N 3.18Å; N572-K574 PolarHBondContact O-N 3.06Å; K574-L576 PolarHBondContact O-N 3.39Å; K574-T577 WeakPolarHBondContact CA-OG1 3.24Å; K574-T577 PolarHBondContact O-N 3.12Å; K574-T577 PolarHBondContact O-OG1 2.92Å; K574-L578 WeakPolarHBondContact O-CG 3.42Å; K574-L578 PolarHBondContact O-N 3.21Å
575K89.5Confident88.2Confident139 Ų13966.9 Ų66.960%0.60436%0.36SS*.Hα-helixtrans-60.4-44.2179.6-177179.6177.8-177.80112.6S571 N572 F573 T577S571-K575 VanDerWaalsContact O-CB 3.31Å; S571-K575 WeakPolarHBondContact O-CB 3.45Å; S571-K575 PolarHBondContact O-N 2.95Å; N572-K575 PolarHBondContact O-N 3.38Å; F573-K575 PolarHBondContact O-N 3.03Å; K575-T577 VanDerWaalsContact C-N 3.35Å
576L88.4Confident88.1Confident27 Ų2762.7 Ų62.714%0.14135%0.348CS..Hα-helixtrans-69.6-33.8-179.6-67.7171000112.2P252 K253 S255 N572 F573 K574 R584P252-L576 HydrophobicContact CB-CD1 4.07Å; P252-L576 HydrophobicContact CG-CD1 3.73Å; P252-L576 WeakPolarHBondContact O-CD1 3.46Å; K253-L576 WeakPolarHBondContact O-CD2 3.48Å; S255-L576 WeakPolarHBondContact OG-CD1 3.46Å; N572-L576 VanDerWaalsContact O-CG 3.3Å; N572-L576 WeakPolarHBondContact O-CG 3.34Å; N572-L576 PolarHBondContact O-N 3.29Å; F573-L576 PolarHBondContact O-N 3.47Å; K574-L576 PolarHBondContact O-N 3.39Å; L576-R584 WeakPolarHBondContact O-CD 3.32Å
577T87.6Confident88.4Confident35 Ų3563.3 Ų63.322%0.21533%0.332CS..Hα-helixtrans-80.6-15-17753.90000114P257 F573 K574 K575 Q579P257-T577 HydrophobicContact CG-CG2 3.31Å; F573-T577 HydrophobicContact CD1-CG2 4.48Å; F573-T577 HydrophobicContact CD2-CG2 4.13Å; F573-T577 HydrophobicContact CE1-CG2 4.22Å; F573-T577 HydrophobicContact CE2-CG2 3.86Å; F573-T577 HydrophobicContact CG-CG2 4.46Å; F573-T577 HydrophobicContact CZ-CG2 3.92Å; F573-T577 WeakPolarHBondContact O-CB 3.46Å; F573-T577 PolarHBondContact O-N 2.9Å; F573-T577 WeakPolarHBondContact O-CG2 3.39Å; F573-T577 PolarHBondContact O-OG1 3.32Å; K574-T577 WeakPolarHBondContact CA-OG1 3.24Å; K574-T577 PolarHBondContact O-N 3.12Å; K574-T577 PolarHBondContact O-OG1 2.92Å; K575-T577 VanDerWaalsContact C-N 3.35Å; T577-Q579 PolarHBondContact O-N 3.43Å
578L87.3Confident88.5Confident153 Ų15362 Ų6280%0.80132%0.324SS*.THydrogen-bonded Turntrans-63-26.5171.2-73.8170.8000113.3K574K574-L578 WeakPolarHBondContact O-CG 3.42Å; K574-L578 PolarHBondContact O-N 3.21Å
579Q87Confident88.5Confident99 Ų9960.8 Ų60.846%0.46331%0.312SS..SBendtrans-74.8144.2176.7-62.1-176.95.300111.1T577 R584T577-Q579 PolarHBondContact O-N 3.43Å; Q579-R584 HydrophobicContact CB-CG 4.02Å; Q579-R584 PolarHBondContact O-NE 3.45Å; Q579-R584 PolarHBondContact O-NH2 2.99Å
580S88.9Confident88.6Confident64 Ų6465.7 Ų65.745%0.44834%0.335SS..  trans-59.1144.1176.384.10000111.3K582 S583 R584S580-K582 VanDerWaalsContact O-N 3.16Å; S580-K582 PolarHBondContact O-N 2.83Å; S580-S583 WeakPolarHBondContact O-CB 3.37Å; S580-S583 PolarHBondContact O-N 3.37Å; S580-S583 WeakPolarHBondContact OG-CB 3.45Å; S580-S583 PolarHBondContact OG-N 3.5Å; S580-S583 VanDerWaalsContact OG-N 3.08Å; S580-S583 PolarHBondContact OG-OG 3.44Å; S580-R584 PolarHBondContact O-N 3.01Å
581T88.8Confident88.6Confident25 Ų2563.1 Ų63.115%0.15333%0.325CS..Hα-helixtrans-54.6-36.4176.6-44.80000111.2F256 E260 P275 T280 R584 V585F256-T581 HydrophobicContact CD1-CG2 4.25Å; F256-T581 HydrophobicContact CE1-CG2 4.4Å; E260-T581 PolarHBondContact OE2-OG1 2.8Å; P275-T581 HydrophobicContact CB-CG2 4.15Å; P275-T581 HydrophobicContact CG-CG2 4.29Å; T280-T581 HydrophobicContact CG2-CG2 4.18Å; T581-R584 PolarHBondContact O-N 3.34Å; T581-R584 PolarHBondContact OG1-NH2 3.42Å; T581-V585 HydrophobicContact CG2-CG2 4.48Å; T581-V585 VanDerWaalsContact O-CG2 3.31Å; T581-V585 WeakPolarHBondContact O-CG2 3.21Å; T581-V585 PolarHBondContact O-N 2.98Å
582K88.9Confident88.7Confident133 Ų13364.1 Ų64.158%0.57833%0.326SS*.Hα-helixtrans-60.5-46.5174.7-174.2-178.3176-176.10112.6T280 S580 V585 A586T280-K582 HydrophobicContact CG2-CB 4.13Å; S580-K582 VanDerWaalsContact O-N 3.16Å; S580-K582 PolarHBondContact O-N 2.83Å; K582-V585 PolarHBondContact O-N 3.42Å; K582-A586 PolarHBondContact O-N 3.43Å; K582-A586 WeakPolarHBondContact O-CB 3.33Å
583S90.3Very high88.7Confident62 Ų6266.7 Ų66.743%0.43434%0.338SS..Hα-helixtrans-62.2-43.5176.9-57.10000111.4S580 A586 F587S580-S583 WeakPolarHBondContact O-CB 3.37Å; S580-S583 PolarHBondContact O-N 3.37Å; S580-S583 WeakPolarHBondContact OG-CB 3.45Å; S580-S583 PolarHBondContact OG-N 3.5Å; S580-S583 VanDerWaalsContact OG-N 3.08Å; S580-S583 PolarHBondContact OG-OG 3.44Å; S583-A586 PolarHBondContact O-N 3.36Å; S583-F587 WeakPolarHBondContact O-CB 3.47Å; S583-F587 PolarHBondContact O-N 3.44Å
584R92.2Very high88.7Confident4 Ų468.1 Ų68.12%0.01535%0.347CS..Hα-helixtrans-65.2-39.9178.5-82.1-174.6-84.6134.3-1.2113.7C254 S255 F256 E260 L576 Q579 S580 T581 F588C254-R584 VanDerWaalsContact SG-CB 3.57Å; S255-R584 VanDerWaalsContact O-CD 3.26Å; S255-R584 WeakPolarHBondContact O-CD 3.37Å; S255-R584 PolarHBondContact O-NH1 3Å; F256-R584 HydrophobicContact CE1-CB 3.8Å; F256-R584 HydrophobicContact CZ-CB 4.14Å; E260-R584 IonicContact OE1-CZ 3.66Å; E260-R584 IonicContact OE1-NH1 2.8Å; E260-R584 IonicContact OE1-NH2 2.7Å; E260-R584 PolarHBondContact OE1-NH2 3.32Å; E260-R584 IonicContact OE2-CZ 2.91Å; E260-R584 IonicContact OE2-NH1 3.39Å; E260-R584 PolarHBondContact OE2-NH1 2.93Å; E260-R584 IonicContact OE2-NH2 3.52Å; E260-R584 PolarHBondContact OE2-NH2 2.98Å; L576-R584 WeakPolarHBondContact O-CD 3.32Å; Q579-R584 HydrophobicContact CB-CG 4.02Å; Q579-R584 PolarHBondContact O-NE 3.45Å; Q579-R584 PolarHBondContact O-NH2 2.99Å; S580-R584 PolarHBondContact O-N 3.01Å; T581-R584 PolarHBondContact O-N 3.34Å; T581-R584 PolarHBondContact OG1-NH2 3.42Å; R584-F588 PolarHBondContact O-N 3.3Å
585V89Confident88.8Confident4 Ų464.1 Ų64.12%0.02433%0.333CS..Hα-helixtrans-65.8-43173.9172.60000110.7F256 T280 N281 F283 T581 K582 F588 E589F256-V585 HydrophobicContact CE1-CG2 3.76Å; F256-V585 HydrophobicContact CZ-CG2 4.17Å; T280-V585 HydrophobicContact CG2-CG2 4.21Å; N281-V585 HydrophobicContact CB-CG1 4.14Å; F283-V585 HydrophobicContact CB-CG2 4.32Å; T581-V585 HydrophobicContact CG2-CG2 4.48Å; T581-V585 VanDerWaalsContact O-CG2 3.31Å; T581-V585 WeakPolarHBondContact O-CG2 3.21Å; T581-V585 PolarHBondContact O-N 2.98Å; K582-V585 PolarHBondContact O-N 3.42Å; V585-F588 PolarHBondContact O-N 3.33Å; V585-E589 WeakPolarHBondContact O-CG 3.29Å; V585-E589 PolarHBondContact O-N 3.15Å
586A88.4Confident88.7Confident47 Ų4759.4 Ų59.439%0.38832%0.316SS..Hα-helixtrans-62.3-46176.700000111.7K582 S583 F588 E589 E590K582-A586 PolarHBondContact O-N 3.43Å; K582-A586 WeakPolarHBondContact O-CB 3.33Å; S583-A586 PolarHBondContact O-N 3.36Å; A586-F588 VanDerWaalsContact C-N 3.34Å; A586-F588 PolarHBondContact O-N 3.3Å; A586-E589 PolarHBondContact O-N 3.17Å; A586-E590 WeakPolarHBondContact O-CG 3.27Å; A586-E590 PolarHBondContact O-N 3.38Å; A586-E590 VanDerWaalsContact O-N 3.07Å
587F91.3Very high88.7Confident78 Ų7861.6 Ų61.634%0.34233%0.328SS..Hα-helixtrans-57.2-44.9176.5176.9-99.7000112.3K253 C254 S583 E589 E590 L591K253-F587 HydrophobicContact CB-CE1 4.05Å; C254-F587 HydrophobicContact CB-CD1 4.34Å; S583-F587 WeakPolarHBondContact O-CB 3.47Å; S583-F587 PolarHBondContact O-N 3.44Å; F587-E589 VanDerWaalsContact C-N 3.33Å; F587-E589 PolarHBondContact O-N 3.45Å; F587-E590 WeakPolarHBondContact O-CA 3.41Å; F587-E590 WeakPolarHBondContact O-CB 3.23Å; F587-E590 PolarHBondContact O-N 3.24Å; F587-L591 HydrophobicContact CD1-CD1 4.48Å; F587-L591 HydrophobicContact CE1-CD1 4.08Å; F587-L591 HydrophobicContact CE1-CD2 3.97Å; F587-L591 HydrophobicContact CE1-CG 4.14Å; F587-L591 HydrophobicContact CE2-CD2 4.44Å; F587-L591 HydrophobicContact CZ-CD2 3.8Å; F587-L591 HydrophobicContact CZ-CG 4.4Å; F587-L591 PolarHBondContact O-N 3.14Å; F587-L591 VanDerWaalsContact O-N 3.09Å
588F89.4Confident88.8Confident0 Ų063.5 Ų63.50%034%0.336CS..Hα-helixtrans-60.6-39.6176.7167.3-100.2000113.8I224 N226 L232 I243 F283 K284 F285 R584 V585 A586 E590I224-F588 HydrophobicContact CD1-CE2 4.28Å; I224-F588 HydrophobicContact CD1-CZ 4.44Å; N226-F588 HydrophobicContact CB-CE1 3.75Å; N226-F588 HydrophobicContact CB-CE2 4.12Å; N226-F588 HydrophobicContact CB-CZ 3.51Å; N226-F588 PolarHBondContact ND2-O 2.94Å; L232-F588 HydrophobicContact CD1-CD2 4.04Å; L232-F588 HydrophobicContact CD1-CE2 3.55Å; L232-F588 HydrophobicContact CD1-CZ 4.41Å; I243-F588 HydrophobicContact CB-CD2 4.49Å; I243-F588 HydrophobicContact CD1-CD2 4.32Å; I243-F588 HydrophobicContact CD1-CE2 4.1Å; I243-F588 HydrophobicContact CG1-CD2 3.97Å; I243-F588 HydrophobicContact CG1-CE2 4.25Å; I243-F588 HydrophobicContact CG2-CD2 3.96Å; I243-F588 HydrophobicContact CG2-CE2 4.09Å; F283-F588 HydrophobicContact CD2-CB 4.4Å; F283-F588 AromaticContact CD2-CD1 3.59Å; F283-F588 HydrophobicContact CD2-CD1 3.59Å; F283-F588 AromaticContact CD2-CE1 3.98Å; F283-F588 HydrophobicContact CD2-CE1 3.98Å; F283-F588 AromaticContact CD2-CG 3.99Å; F283-F588 HydrophobicContact CD2-CG 3.99Å; F283-F588 HydrophobicContact CE2-CB 3.83Å; F283-F588 AromaticContact CE2-CD1 3.14Å; F283-F588 HydrophobicContact CE2-CD1 3.14Å; F283-F588 AromaticContact CE2-CD2 3.59Å; F283-F588 HydrophobicContact CE2-CD2 3.59Å; F283-F588 AromaticContact CE2-CE1 3.46Å; F283-F588 HydrophobicContact CE2-CE1 3.46Å; F283-F588 VanDerWaalsContact CE2-CE1 3.46Å; F283-F588 AromaticContact CE2-CE2 3.86Å; F283-F588 HydrophobicContact CE2-CE2 3.86Å; F283-F588 AromaticContact CE2-CG 3.21Å; F283-F588 HydrophobicContact CE2-CG 3.21Å; F283-F588 AromaticContact CE2-CZ 3.79Å; F283-F588 HydrophobicContact CE2-CZ 3.79Å; F283-F588 AromaticContact CZ-CD1 3.91Å; F283-F588 HydrophobicContact CZ-CD1 3.91Å; F283-F588 AromaticContact CZ-CD2 3.91Å; F283-F588 HydrophobicContact CZ-CD2 3.91Å; F283-F588 AromaticContact CZ-CE1 3.75Å; F283-F588 HydrophobicContact CZ-CE1 3.75Å; F283-F588 AromaticContact CZ-CE2 3.74Å; F283-F588 HydrophobicContact CZ-CE2 3.74Å; F283-F588 AromaticContact CZ-CG 3.98Å; F283-F588 HydrophobicContact CZ-CG 3.98Å; F283-F588 AromaticContact CZ-CZ 3.65Å; F283-F588 HydrophobicContact CZ-CZ 3.65Å; K284-F588 WeakPolarHBondContact O-CE1 3.33Å; F285-F588 HydrophobicContact CB-CZ 4.09Å; R584-F588 PolarHBondContact O-N 3.3Å; V585-F588 PolarHBondContact O-N 3.33Å; A586-F588 VanDerWaalsContact C-N 3.34Å; A586-F588 PolarHBondContact O-N 3.3Å; F588-E590 PolarHBondContact O-N 3.46Å
589E86.9Confident88.9Confident36 Ų3656.6 Ų56.617%0.16830%0.3CS..Hα-helixtrans-72.7-17.5177.3-62.3-78.6179.100111.5K227 K228 V585 A586 F587K227-E589 WeakPolarHBondContact CB-OE2 3.43Å; K227-E589 WeakPolarHBondContact CD-OE2 3.29Å; K227-E589 VanDerWaalsContact CG-OE2 3.28Å; K227-E589 WeakPolarHBondContact CG-OE2 3.42Å; K227-E589 VanDerWaalsContact NZ-CD 3.29Å; K227-E589 IonicContact NZ-OE1 2.75Å; K227-E589 PolarHBondContact NZ-OE1 3.47Å; K227-E589 IonicContact NZ-OE2 3.09Å; K227-E589 PolarHBondContact NZ-OE2 3.35Å; K228-E589 WeakPolarHBondContact CD-O 3.43Å; K228-E589 WeakPolarHBondContact CE-O 3.26Å; V585-E589 WeakPolarHBondContact O-CG 3.29Å; V585-E589 PolarHBondContact O-N 3.15Å; A586-E589 PolarHBondContact O-N 3.17Å; F587-E589 VanDerWaalsContact C-N 3.33Å; F587-E589 PolarHBondContact O-N 3.45Å
590E88.6Confident89.1Confident139 Ų13953.1 Ų53.165%0.6529%0.286SS*.Hα-helixtrans-87.5-28.9178-78.2-179.9-175.700114.5K228 A586 F587 F588K228-E590 PolarHBondContact NZ-O 3.21Å; A586-E590 WeakPolarHBondContact O-CG 3.27Å; A586-E590 PolarHBondContact O-N 3.38Å; A586-E590 VanDerWaalsContact O-N 3.07Å; F587-E590 WeakPolarHBondContact O-CA 3.41Å; F587-E590 WeakPolarHBondContact O-CB 3.23Å; F587-E590 PolarHBondContact O-N 3.24Å; F588-E590 PolarHBondContact O-N 3.46Å
591L86.4Confident89.1Confident45 Ų4552.1 Ų52.124%0.23627%0.272CS..  trans-50.10166.4-64.1174.7000111N226 T230 L232 I243 F587N226-L591 PolarHBondContact ND2-OXT 3.21Å; T230-L591 WeakPolarHBondContact CB-O 3.37Å; T230-L591 VanDerWaalsContact CG2-O 3.31Å; T230-L591 WeakPolarHBondContact CG2-O 3.43Å; T230-L591 PolarHBondContact OG1-O 3.22Å; T230-L591 PolarHBondContact OG1-OXT 3.42Å; L232-L591 HydrophobicContact CD1-CB 4.36Å; L232-L591 HydrophobicContact CD1-CD1 4.19Å; L232-L591 HydrophobicContact CD2-CD1 4.29Å; I243-L591 HydrophobicContact CG2-CD1 4.39Å; F587-L591 HydrophobicContact CD1-CD1 4.48Å; F587-L591 HydrophobicContact CE1-CD1 4.08Å; F587-L591 HydrophobicContact CE1-CD2 3.97Å; F587-L591 HydrophobicContact CE1-CG 4.14Å; F587-L591 HydrophobicContact CE2-CD2 4.44Å; F587-L591 HydrophobicContact CZ-CD2 3.8Å; F587-L591 HydrophobicContact CZ-CG 4.4Å; F587-L591 PolarHBondContact O-N 3.14Å; F587-L591 VanDerWaalsContact O-N 3.09Å

Retrieved 591 of 591 residues in 263.5 ms (Link to these results)

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