A0A087YJG9_POEFO Loading...

Hydroxy-delta-5-steroid dehydrogenase, 3 beta- and steroid delta-isomerase 1

AlphaFold DB (A0A3B3W1E3), UniProt , Accession A0A087YJG9, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 374 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
1M81.3Confident94.5Very high112 Ų11240.6 Ų40.655%0.55222%0.218SC*.  0155.50-69.1-173.5179.500110.8R241 K244 D245 P246M1-R241 PolarHBondContact N-O 2.85Å; M1-R241 WeakPolarHBondContact O-CB 3.47Å; M1-R241 WeakPolarHBondContact O-CG 3.4Å; M1-K244 HydrophobicContact CB-CG 4.45Å; M1-D245 HydrophobicContact CG-CB 4.18Å; M1-P246 HydrophobicContact CE-CG 4.3Å
2S89.1Confident94.7Very high59 Ų5938 Ų3841%0.41321%0.208SC..  trans-75.8153.8171.71630000111.9R4 E29 K244S2-R4 PolarHBondContact O-N 3.42Å; S2-R4 PolarHBondContact OG-N 3.2Å; S2-R4 VanDerWaalsContact OG-N 3.13Å; S2-E29 WeakPolarHBondContact CB-OE2 3.44Å; S2-E29 PolarHBondContact OG-OE2 2.85Å; S2-K244 WeakPolarHBondContact O-CD 3.15Å; S2-K244 WeakPolarHBondContact O-CE 3.3Å; S2-K244 PolarHBondContact O-NZ 2.9Å
3L92.8Very high94.9Very high0 Ų035.1 Ų35.10%019%0.192CC..  trans-80.519.4173.1-53.9-176.6000112.7G5 D6 L25 E29 F82 L237 A240 K244L3-G5 PolarHBondContact O-N 3.21Å; L3-D6 WeakPolarHBondContact CA-OD2 3.08Å; L3-D6 HydrophobicContact CB-CB 4.37Å; L3-D6 VanDerWaalsContact O-CB 3.23Å; L3-D6 WeakPolarHBondContact O-CB 3.33Å; L3-D6 PolarHBondContact O-N 3.11Å; L3-L25 HydrophobicContact CD1-CD2 3.87Å; L3-E29 HydrophobicContact CB-CB 4.3Å; L3-E29 HydrophobicContact CB-CG 4.09Å; L3-E29 HydrophobicContact CD1-CG 4.27Å; L3-E29 HydrophobicContact CG-CG 4.27Å; L3-E29 PolarHBondContact N-OE2 2.94Å; L3-F82 HydrophobicContact CD1-CE2 4.48Å; L3-F82 HydrophobicContact CD1-CZ 4.02Å; L3-L237 HydrophobicContact CD1-CD1 3.88Å; L3-L237 HydrophobicContact CG-CD1 4.43Å; L3-A240 HydrophobicContact CD1-CB 4.1Å; L3-A240 HydrophobicContact CD2-CB 4.19Å; L3-K244 HydrophobicContact CD2-CD 3.94Å
4R92.9Very high94.9Very high183 Ų18333.7 Ų33.769%0.69119%0.186SC*.THydrogen-bonded Turntrans-53.4128.6179.2-176.2175.3-174.1-150.61.2112.1S2 D6 K30S2-R4 PolarHBondContact O-N 3.42Å; S2-R4 PolarHBondContact OG-N 3.2Å; S2-R4 VanDerWaalsContact OG-N 3.13Å; R4-D6 PolarHBondContact O-N 3.5Å; R4-K30 CarbonylContact C-O 3.51Å; R4-K30 VanDerWaalsContact CA-O 3.26Å; R4-K30 WeakPolarHBondContact CA-O 3.46Å; R4-K30 HydrophobicContact CB-CB 4.39Å; R4-K30 HydrophobicContact CG-CB 4Å
5G93.3Very high94.9Very high47 Ų4733.4 Ų33.449%0.48519%0.193SC..THydrogen-bonded Turntrans77.6-5.7179.700000114.9L3 K30 S32L3-G5 PolarHBondContact O-N 3.21Å; G5-K30 PolarHBondContact N-O 3.14Å; G5-S32 WeakPolarHBondContact O-CB 3.43Å; G5-S32 PolarHBondContact O-OG 2.82Å
6D96.4Very high95Very high24 Ų2434.9 Ų34.913%0.12820%0.197CC..  trans-74150.6179.9-67.2-9.9000111.5L3 R4 A31 S32 E33 S79 K244L3-D6 WeakPolarHBondContact CA-OD2 3.08Å; L3-D6 HydrophobicContact CB-CB 4.37Å; L3-D6 VanDerWaalsContact O-CB 3.23Å; L3-D6 WeakPolarHBondContact O-CB 3.33Å; L3-D6 PolarHBondContact O-N 3.11Å; R4-D6 PolarHBondContact O-N 3.5Å; D6-A31 WeakPolarHBondContact O-CB 3.2Å; D6-S32 PolarHBondContact O-N 3.04Å; D6-S32 PolarHBondContact O-OG 3.41Å; D6-S32 VanDerWaalsContact O-OG 3.08Å; D6-E33 PolarHBondContact O-N 3.07Å; D6-S79 VanDerWaalsContact CB-OG 3.32Å; D6-S79 WeakPolarHBondContact CB-OG 3.33Å; D6-K244 IonicContact OD1-NZ 2.74Å; D6-K244 PolarHBondContact OD1-NZ 3.21Å; D6-K244 WeakPolarHBondContact OD2-CD 3.26Å; D6-K244 WeakPolarHBondContact OD2-CE 3.45Å; D6-K244 IonicContact OD2-NZ 2.74Å; D6-K244 PolarHBondContact OD2-NZ 3.16Å
7V98.5Very high95.1Very high21 Ų2133.4 Ų33.413%0.12719%0.188CC..EExtended strand (participates in β ladder)trans-97.4112.7164.91730000107.2S32 E33 R35 A78 S79 T80V7-S32 WeakPolarHBondContact CG2-OG 3.47Å; V7-E33 WeakPolarHBondContact CA-O 3.43Å; V7-E33 HydrophobicContact CB-CB 4.46Å; V7-E33 HydrophobicContact CG1-CB 4.21Å; V7-E33 HydrophobicContact CG2-CB 4.06Å; V7-R35 HydrophobicContact CG1-CG 4.47Å; V7-R35 VanDerWaalsContact CG1-CZ 3.49Å; V7-A78 HydrophobicContact CG1-CB 4.04Å; V7-S79 PolarHBondContact O-N 2.98Å; V7-T80 PolarHBondContact O-N 3.25Å
8C98.6Very high95.2Very high1 Ų131.5 Ų31.51%0.00718%0.178CC..EExtended strand (participates in β ladder)trans-105.1134.4-177.1-63.70000110.7E33 I34 R35 T80 F82C8-E33 PolarHBondContact N-O 2.69Å; C8-I34 HydrophobicContact CB-CG1 4.49Å; C8-I34 CarbonylContact O-C 3.55Å; C8-I34 WeakPolarHBondContact O-CA 3.38Å; C8-R35 PolarHBondContact O-N 2.88Å; C8-T80 CarbonylContact C-O 3.6Å; C8-T80 WeakPolarHBondContact CA-O 3.45Å; C8-F82 HydrophobicContact CB-CE2 4.19Å
9V98.8Very high95.3Very high0 Ų033.6 Ų33.60%019%0.185CC..EExtended strand (participates in β ladder)trans-111127.9174-178.70000109R35 L37 L75 A78 T80 V81 F82V9-R35 HydrophobicContact CB-CB 4.45Å; V9-R35 HydrophobicContact CG1-CB 4.48Å; V9-R35 HydrophobicContact CG2-CB 4.01Å; V9-R35 HydrophobicContact CG2-CG 4.39Å; V9-L37 HydrophobicContact CG1-CB 4.24Å; V9-L37 HydrophobicContact CG1-CD1 4.35Å; V9-L75 HydrophobicContact CB-CD2 4.28Å; V9-L75 HydrophobicContact CG1-CD2 4.37Å; V9-L75 HydrophobicContact CG2-CD2 4.03Å; V9-A78 HydrophobicContact CG2-CB 3.64Å; V9-T80 PolarHBondContact N-O 2.98Å; V9-V81 HydrophobicContact CB-CG2 4.17Å; V9-V81 CarbonylContact O-C 3.55Å; V9-V81 WeakPolarHBondContact O-CA 3.35Å; V9-F82 PolarHBondContact O-N 2.84Å
10V98.8Very high95.3Very high0 Ų036 Ų360%019%0.191CC..EExtended strand (participates in β ladder)trans-114.6113.5175.2-174.90000108.1A13 L21 V22 L25 I34 R35 L37 F82 I84V10-A13 HydrophobicContact CB-CB 4.2Å; V10-A13 HydrophobicContact CG1-CB 4.13Å; V10-A13 WeakPolarHBondContact O-CB 3.19Å; V10-L21 HydrophobicContact CG1-CD2 4.35Å; V10-V22 HydrophobicContact CB-CG2 4.05Å; V10-V22 HydrophobicContact CG1-CG2 4.07Å; V10-V22 HydrophobicContact CG2-CG2 4.02Å; V10-L25 HydrophobicContact CG2-CD1 3.93Å; V10-I34 HydrophobicContact CG2-CG2 4.45Å; V10-R35 PolarHBondContact N-O 3.35Å; V10-L37 PolarHBondContact O-N 3.25Å; V10-F82 HydrophobicContact CG1-CB 4.4Å; V10-F82 HydrophobicContact CG2-CB 4.29Å; V10-F82 HydrophobicContact CG2-CD2 3.99Å; V10-F82 HydrophobicContact CG2-CG 4.5Å; V10-I84 HydrophobicContact CG1-CD1 4.01Å
11T98.7Very high95.5Very high0 Ų034.2 Ų34.20%018%0.182CC..EExtended strand (participates in β ladder)trans-87.7143.117384.40000110.1L37 F82 H83 I84 A85 L110T11-L37 CarbonylContact C-O 3.57Å; T11-L37 VanDerWaalsContact CA-O 3.25Å; T11-L37 WeakPolarHBondContact CA-O 3.45Å; T11-L37 HydrophobicContact CG2-CB 4.39Å; T11-L37 HydrophobicContact CG2-CD1 4.26Å; T11-L37 HydrophobicContact CG2-CD2 4.41Å; T11-F82 PolarHBondContact N-O 2.86Å; T11-H83 WeakPolarHBondContact OG1-CA 3.37Å; T11-H83 PolarHBondContact OG1-ND1 2.95Å; T11-I84 VanDerWaalsContact O-CB 3.3Å; T11-I84 WeakPolarHBondContact O-CB 3.37Å; T11-I84 PolarHBondContact O-N 3.24Å; T11-I84 PolarHBondContact OG1-N 3.03Å; T11-A85 PolarHBondContact O-N 3.46Å; T11-A85 VanDerWaalsContact O-N 3.11Å; T11-A85 WeakPolarHBondContact OG1-CB 3.38Å; T11-A85 PolarHBondContact OG1-N 2.93Å; T11-L110 HydrophobicContact CG2-CD1 4.26Å; T11-L110 HydrophobicContact CG2-CD2 3.73Å
12G97.5Very high96.2Very high9 Ų928.9 Ų28.99%0.09316%0.155CC..THydrogen-bonded Turntrans70.228.2-171.800000111.3C14 G15 G18 L37 D38G12-C14 PolarHBondContact O-N 2.66Å; G12-G15 PolarHBondContact O-N 3.13Å; G12-G18 WeakPolarHBondContact O-CA 3.09Å; G12-L37 PolarHBondContact N-O 2.92Å; G12-D38 WeakPolarHBondContact CA-OD2 3.11Å
13A97.1Very high96.6Very high0 Ų029.4 Ų29.40%015%0.148CC..THydrogen-bonded Turntrans-60.6-26.8-174.900000113.5V10 G15 G18 K19 V22 L36 L37 D38V10-A13 HydrophobicContact CB-CB 4.2Å; V10-A13 HydrophobicContact CG1-CB 4.13Å; V10-A13 WeakPolarHBondContact O-CB 3.19Å; A13-G15 VanDerWaalsContact C-N 3.32Å; A13-G18 CarbonylContact O-C 3.54Å; A13-K19 WeakPolarHBondContact O-CA 3.46Å; A13-K19 WeakPolarHBondContact O-CG 3.32Å; A13-K19 PolarHBondContact O-N 3.11Å; A13-V22 HydrophobicContact CB-CG2 4.07Å; A13-L36 HydrophobicContact CB-CB 3.71Å; A13-L36 HydrophobicContact CB-CD2 4.15Å; A13-L36 HydrophobicContact CB-CG 3.71Å; A13-L37 PolarHBondContact N-O 2.87Å; A13-D38 PolarHBondContact N-OD2 3.38Å
14C95.2Very high96.8Very high16 Ų1629.9 Ų29.911%0.10815%0.151CC..THydrogen-bonded Turntrans-91.85176.3-620000112.3G12 K19 D38 V45G12-C14 PolarHBondContact O-N 2.66Å; C14-K19 VanDerWaalsContact C-CE 3.48Å; C14-K19 WeakPolarHBondContact O-CE 3.41Å; C14-D38 WeakPolarHBondContact CA-OD2 3.49Å; C14-D38 HydrophobicContact CB-CB 4.14Å; C14-D38 WeakPolarHBondContact CB-OD2 3.31Å; C14-D38 PolarHBondContact N-OD2 3.33Å; C14-V45 HydrophobicContact CB-CG2 4.39Å
15G94.6Very high97Very high29 Ų2921.2 Ų21.230%0.29912%0.118SC..SBendtrans-80.6175.1174.300000114G12 A13 L17 G18 K19G12-G15 PolarHBondContact O-N 3.13Å; A13-G15 VanDerWaalsContact C-N 3.32Å; G15-L17 PolarHBondContact O-N 3.3Å; G15-G18 PolarHBondContact O-N 2.88Å; G15-K19 WeakPolarHBondContact O-CG 3.43Å; G15-K19 PolarHBondContact O-N 3.43Å
16F95.6Very high97.1Very high57 Ų5719.5 Ų19.525%0.2510%0.098CC..Hα-helixtrans-54.6-53.2-178.6171.4-132.4000113.3I192 D195 G196 C197 V229F16-I192 HydrophobicContact CD1-CG2 4.42Å; F16-I192 HydrophobicContact CE1-CB 4.14Å; F16-I192 HydrophobicContact CE1-CG2 3.6Å; F16-I192 HydrophobicContact CZ-CG2 4.26Å; F16-D195 WeakPolarHBondContact CE2-O 3.35Å; F16-G196 VanDerWaalsContact CD2-C 3.41Å; F16-G196 WeakPolarHBondContact CD2-O 3.18Å; F16-C197 HydrophobicContact CE1-CB 4.05Å; F16-C197 HydrophobicContact CE2-CB 4.07Å; F16-C197 HydrophobicContact CZ-CB 3.66Å; F16-V229 HydrophobicContact CD1-CG2 4.28Å; F16-V229 HydrophobicContact CD2-CG2 4.28Å; F16-V229 HydrophobicContact CE1-CB 4.03Å; F16-V229 HydrophobicContact CE1-CG2 3.93Å; F16-V229 HydrophobicContact CE2-CB 3.97Å; F16-V229 HydrophobicContact CE2-CG1 3.89Å; F16-V229 HydrophobicContact CE2-CG2 3.9Å; F16-V229 HydrophobicContact CG-CG2 4.45Å; F16-V229 HydrophobicContact CZ-CB 3.52Å; F16-V229 HydrophobicContact CZ-CG1 3.84Å; F16-V229 HydrophobicContact CZ-CG2 3.72Å
17L97.9Very high97Very high9 Ų923.1 Ų23.15%0.04711%0.114CC..Hα-helixtrans-76.9-37.3176.4176.462.3000112.2G15 K19 R20 L21 I84 T125 I192 V229 V232 A233G15-L17 PolarHBondContact O-N 3.3Å; L17-K19 PolarHBondContact O-N 2.95Å; L17-R20 WeakPolarHBondContact O-CB 3.19Å; L17-R20 PolarHBondContact O-N 2.76Å; L17-L21 PolarHBondContact O-N 3.28Å; L17-I84 HydrophobicContact CB-CG2 4.07Å; L17-I84 HydrophobicContact CD2-CD1 4.31Å; L17-I84 HydrophobicContact CD2-CG1 4.27Å; L17-I84 HydrophobicContact CD2-CG2 4.05Å; L17-I84 HydrophobicContact CG-CD1 4.11Å; L17-I84 HydrophobicContact CG-CG2 4.27Å; L17-T125 HydrophobicContact CD2-CG2 3.9Å; L17-I192 HydrophobicContact CD2-CD1 4.41Å; L17-V229 HydrophobicContact CB-CG2 4.33Å; L17-V229 HydrophobicContact CD1-CG2 3.89Å; L17-V232 HydrophobicContact CD1-CB 3.9Å; L17-V232 HydrophobicContact CD1-CG1 3.76Å; L17-V232 HydrophobicContact CD2-CG1 3.73Å; L17-V232 HydrophobicContact CG-CG1 4.42Å; L17-A233 HydrophobicContact CD1-CB 4.05Å
18G97.2Very high96.8Very high0 Ų026 Ų260%013%0.126CC..Hα-helixtrans-57.7-48.9-177.200000113.2G12 A13 G15 R20 L21 V22G12-G18 WeakPolarHBondContact O-CA 3.09Å; A13-G18 CarbonylContact O-C 3.54Å; G15-G18 PolarHBondContact O-N 2.88Å; G18-R20 VanDerWaalsContact C-N 3.26Å; G18-R20 PolarHBondContact O-N 2.71Å; G18-L21 PolarHBondContact O-N 2.94Å; G18-L21 VanDerWaalsContact O-N 3.13Å; G18-V22 WeakPolarHBondContact O-CG2 3.16Å; G18-V22 PolarHBondContact O-N 3.48Å
19K95.6Very high96.5Very high72 Ų7226.1 Ų26.131%0.31313%0.126SC..Hα-helixtrans-59.1-39.3179-66.5-175.9-159.7-169.90111.8A13 C14 G15 L17 R23 V45A13-K19 WeakPolarHBondContact O-CA 3.46Å; A13-K19 WeakPolarHBondContact O-CG 3.32Å; A13-K19 PolarHBondContact O-N 3.11Å; C14-K19 VanDerWaalsContact C-CE 3.48Å; C14-K19 WeakPolarHBondContact O-CE 3.41Å; G15-K19 WeakPolarHBondContact O-CG 3.43Å; G15-K19 PolarHBondContact O-N 3.43Å; L17-K19 PolarHBondContact O-N 2.95Å; K19-R23 WeakPolarHBondContact O-CB 3.47Å; K19-R23 PolarHBondContact O-N 3.22Å; K19-V45 HydrophobicContact CD-CG1 4.17Å; K19-V45 HydrophobicContact CD-CG2 3.89Å; K19-V45 HydrophobicContact CG-CG1 4.01Å
20R96.8Very high96.2Very high80 Ų8033.3 Ų33.330%0.30216%0.158SC..Hα-helixtrans-66.6-42.8177.6-63.3-64.9176.4-141.1-12.8111.7L17 G18 L24 D195 V229 A233L17-R20 WeakPolarHBondContact O-CB 3.19Å; L17-R20 PolarHBondContact O-N 2.76Å; G18-R20 VanDerWaalsContact C-N 3.26Å; G18-R20 PolarHBondContact O-N 2.71Å; R20-L24 VanDerWaalsContact O-CB 3.25Å; R20-L24 WeakPolarHBondContact O-CB 3.18Å; R20-L24 PolarHBondContact O-N 3.34Å; R20-D195 IonicContact CZ-OD2 3.83Å; R20-D195 IonicContact NE-OD2 3.06Å; R20-D195 IonicContact NH1-OD2 2.95Å; R20-D195 PolarHBondContact NH1-OD2 2.92Å; R20-D195 PolarHBondContact NH2-O 3.34Å; R20-D195 IonicContact NH2-OD1 3.89Å; R20-D195 IonicContact NH2-OD2 3.98Å; R20-D195 PolarHBondContact NH2-OD2 2.9Å; R20-V229 HydrophobicContact CB-CG2 4.36Å; R20-V229 HydrophobicContact CG-CG1 4.1Å; R20-V229 HydrophobicContact CG-CG2 3.89Å; R20-A233 HydrophobicContact CB-CB 4.1Å
21L98.2Very high96Very high0 Ų033.6 Ų33.60%016%0.16CC..Hα-helixtrans-66.3-44.9177-179.860.9000111.8V10 L17 G18 R23 L24 L25 F82 I84 A233 H236V10-L21 HydrophobicContact CG1-CD2 4.35Å; L17-L21 PolarHBondContact O-N 3.28Å; G18-L21 PolarHBondContact O-N 2.94Å; G18-L21 VanDerWaalsContact O-N 3.13Å; L21-R23 PolarHBondContact O-N 3.44Å; L21-L24 PolarHBondContact O-N 2.8Å; L21-L25 HydrophobicContact CD1-CD1 4.24Å; L21-L25 HydrophobicContact CD1-CG 4.09Å; L21-L25 HydrophobicContact CG-CD1 3.98Å; L21-L25 HydrophobicContact CG-CG 4.3Å; L21-L25 WeakPolarHBondContact O-CB 3.13Å; L21-L25 VanDerWaalsContact O-CG 3.26Å; L21-L25 WeakPolarHBondContact O-CG 3.35Å; L21-L25 PolarHBondContact O-N 2.97Å; L21-F82 HydrophobicContact CD2-CB 3.67Å; L21-F82 HydrophobicContact CD2-CD1 3.63Å; L21-F82 HydrophobicContact CD2-CD2 4.3Å; L21-F82 HydrophobicContact CD2-CE1 4.27Å; L21-F82 HydrophobicContact CD2-CG 3.62Å; L21-I84 HydrophobicContact CB-CD1 4.27Å; L21-I84 HydrophobicContact CD2-CD1 3.62Å; L21-A233 HydrophobicContact CB-CB 4.33Å; L21-A233 WeakPolarHBondContact CD1-O 3.34Å; L21-H236 HydrophobicContact CD1-CB 3.97Å; L21-H236 HydrophobicContact CD2-CB 4.03Å
22V97.6Very high95.9Very high0 Ų036.1 Ų36.10%018%0.177CC..Hα-helixtrans-59.8-48.3178.4172.50000110.7V10 A13 G18 L24 L25 L26 I34 L36 L49V10-V22 HydrophobicContact CB-CG2 4.05Å; V10-V22 HydrophobicContact CG1-CG2 4.07Å; V10-V22 HydrophobicContact CG2-CG2 4.02Å; A13-V22 HydrophobicContact CB-CG2 4.07Å; G18-V22 WeakPolarHBondContact O-CG2 3.16Å; G18-V22 PolarHBondContact O-N 3.48Å; V22-L24 VanDerWaalsContact C-N 3.35Å; V22-L24 PolarHBondContact O-N 3.03Å; V22-L25 PolarHBondContact O-N 3.19Å; V22-L26 HydrophobicContact CG1-CD1 4.18Å; V22-L26 WeakPolarHBondContact O-CG 3.4Å; V22-L26 PolarHBondContact O-N 3.44Å; V22-I34 HydrophobicContact CG1-CG2 4.34Å; V22-L36 HydrophobicContact CG1-CD1 4.13Å; V22-L36 HydrophobicContact CG1-CD2 4.44Å; V22-L36 HydrophobicContact CG1-CG 4.4Å; V22-L36 HydrophobicContact CG2-CG 4.28Å; V22-L49 HydrophobicContact CG1-CD1 3.6Å; V22-L49 HydrophobicContact CG1-CD2 4.15Å
23R96.4Very high95.9Very high70 Ų7037.1 Ų37.126%0.26418%0.18SC..Hα-helixtrans-59.1-46.2176.3-176.3166.7-175.8110.15.8111.9K19 L21 L25 L26 E27 S48 L49 D51K19-R23 WeakPolarHBondContact O-CB 3.47Å; K19-R23 PolarHBondContact O-N 3.22Å; L21-R23 PolarHBondContact O-N 3.44Å; R23-L25 VanDerWaalsContact C-N 3.32Å; R23-L25 PolarHBondContact O-N 2.76Å; R23-L26 PolarHBondContact O-N 3.21Å; R23-E27 HydrophobicContact CG-CG 4.36Å; R23-E27 WeakPolarHBondContact CG-OE1 3.43Å; R23-E27 IonicContact CZ-OE1 2.55Å; R23-E27 IonicContact NE-OE1 3.61Å; R23-E27 PolarHBondContact NE-OE1 2.77Å; R23-E27 IonicContact NH2-OE1 3.46Å; R23-E27 PolarHBondContact NH2-OE1 3.42Å; R23-E27 WeakPolarHBondContact O-CG 3.35Å; R23-E27 PolarHBondContact O-N 2.7Å; R23-S48 PolarHBondContact NH1-O 3.02Å; R23-L49 HydrophobicContact CB-CD2 3.83Å; R23-L49 HydrophobicContact CG-CD2 4.43Å; R23-D51 IonicContact CZ-OD1 2.94Å; R23-D51 IonicContact CZ-OD2 2.98Å; R23-D51 IonicContact NH1-OD1 3.27Å; R23-D51 PolarHBondContact NH1-OD1 3.42Å; R23-D51 IonicContact NH1-OD2 3.81Å; R23-D51 PolarHBondContact NH1-OD2 3.1Å; R23-D51 IonicContact NH2-OD1 2.72Å; R23-D51 IonicContact NH2-OD2 2.93Å; R23-D51 PolarHBondContact NH2-OD2 2.83Å
24L96.8Very high96Very high10 Ų1037.1 Ų37.15%0.05218%0.18CC..Hα-helixtrans-58.8-42.7176.9179.370000112.1R20 L21 V22 E27 E28 A233 F234 L237R20-L24 VanDerWaalsContact O-CB 3.25Å; R20-L24 WeakPolarHBondContact O-CB 3.18Å; R20-L24 PolarHBondContact O-N 3.34Å; L21-L24 PolarHBondContact O-N 2.8Å; V22-L24 VanDerWaalsContact C-N 3.35Å; V22-L24 PolarHBondContact O-N 3.03Å; L24-E27 PolarHBondContact O-N 3.05Å; L24-E28 HydrophobicContact CD1-CG 3.71Å; L24-E28 HydrophobicContact CG-CG 4.38Å; L24-E28 VanDerWaalsContact O-CB 3.27Å; L24-E28 WeakPolarHBondContact O-CB 3.4Å; L24-E28 WeakPolarHBondContact O-CG 3.37Å; L24-E28 PolarHBondContact O-N 3.34Å; L24-A233 HydrophobicContact CD2-CB 4.17Å; L24-F234 HydrophobicContact CD2-CB 4.31Å; L24-F234 HydrophobicContact CD2-CD2 4.39Å; L24-L237 HydrophobicContact CD2-CB 4.11Å; L24-L237 HydrophobicContact CD2-CD2 4.04Å; L24-L237 HydrophobicContact CG-CD2 4.12Å
25L97.2Very high96.1Very high1 Ų137.5 Ų37.51%0.00518%0.179CC..Hα-helixtrans-64.4-41.3177.6-71.9169.3000111.5L3 V10 L21 V22 R23 E29 I34 F82 L237L3-L25 HydrophobicContact CD1-CD2 3.87Å; V10-L25 HydrophobicContact CG2-CD1 3.93Å; L21-L25 HydrophobicContact CD1-CD1 4.24Å; L21-L25 HydrophobicContact CD1-CG 4.09Å; L21-L25 HydrophobicContact CG-CD1 3.98Å; L21-L25 HydrophobicContact CG-CG 4.3Å; L21-L25 WeakPolarHBondContact O-CB 3.13Å; L21-L25 VanDerWaalsContact O-CG 3.26Å; L21-L25 WeakPolarHBondContact O-CG 3.35Å; L21-L25 PolarHBondContact O-N 2.97Å; V22-L25 PolarHBondContact O-N 3.19Å; R23-L25 VanDerWaalsContact C-N 3.32Å; R23-L25 PolarHBondContact O-N 2.76Å; L25-E29 HydrophobicContact CD2-CG 4.09Å; L25-E29 WeakPolarHBondContact O-CA 3.36Å; L25-E29 VanDerWaalsContact O-CB 3.27Å; L25-E29 WeakPolarHBondContact O-CB 3.4Å; L25-E29 PolarHBondContact O-N 2.87Å; L25-I34 HydrophobicContact CB-CD1 3.51Å; L25-I34 HydrophobicContact CD1-CD1 4.48Å; L25-F82 HydrophobicContact CD1-CD2 4.25Å; L25-F82 HydrophobicContact CD1-CE2 3.87Å; L25-F82 HydrophobicContact CD1-CZ 4.37Å; L25-F82 HydrophobicContact CD2-CE2 4.28Å; L25-F82 HydrophobicContact CD2-CZ 4.13Å; L25-L237 HydrophobicContact CD2-CD1 3.77Å
26L96.3Very high96.3Very high11 Ų1136.1 Ų36.16%0.05817%0.165CC..Hα-helixtrans-64.9-39.4176.3-70.9172.2000112.4V22 R23 I34 L49 C52 T56 L58V22-L26 HydrophobicContact CG1-CD1 4.18Å; V22-L26 WeakPolarHBondContact O-CG 3.4Å; V22-L26 PolarHBondContact O-N 3.44Å; R23-L26 PolarHBondContact O-N 3.21Å; L26-I34 HydrophobicContact CD2-CD1 3.65Å; L26-I34 HydrophobicContact CG-CD1 3.88Å; L26-L49 HydrophobicContact CD1-CB 3.96Å; L26-L49 HydrophobicContact CD1-CD2 4.13Å; L26-L49 HydrophobicContact CD1-CG 4.42Å; L26-C52 HydrophobicContact CB-CB 4.43Å; L26-C52 WeakPolarHBondContact CB-O 3.49Å; L26-T56 HydrophobicContact CD2-CG2 3.78Å; L26-L58 HydrophobicContact CD1-CD1 4.32Å; L26-L58 HydrophobicContact CD2-CD1 4.36Å
27E94.4Very high96.4Very high100 Ų10033.4 Ų33.447%0.46715%0.153SC..Hα-helixtrans-74.1-37-179.3-70.3172.7171.800112.9R23 L24 C52R23-E27 HydrophobicContact CG-CG 4.36Å; R23-E27 WeakPolarHBondContact CG-OE1 3.43Å; R23-E27 IonicContact CZ-OE1 2.55Å; R23-E27 IonicContact NE-OE1 3.61Å; R23-E27 PolarHBondContact NE-OE1 2.77Å; R23-E27 IonicContact NH2-OE1 3.46Å; R23-E27 PolarHBondContact NH2-OE1 3.42Å; R23-E27 WeakPolarHBondContact O-CG 3.35Å; R23-E27 PolarHBondContact O-N 2.7Å; L24-E27 PolarHBondContact O-N 3.05Å; E27-C52 HydrophobicContact CG-CB 3.73Å
28E93.2Very high96.4Very high82 Ų8234.3 Ų34.338%0.38316%0.158SC..Hα-helixtrans-107.3-24.3-168.9-66.4-88176.500114.3L24 L237 R346L24-E28 HydrophobicContact CD1-CG 3.71Å; L24-E28 HydrophobicContact CG-CG 4.38Å; L24-E28 VanDerWaalsContact O-CB 3.27Å; L24-E28 WeakPolarHBondContact O-CB 3.4Å; L24-E28 WeakPolarHBondContact O-CG 3.37Å; L24-E28 PolarHBondContact O-N 3.34Å; E28-L237 HydrophobicContact CB-CD2 4.17Å; E28-R346 VanDerWaalsContact CD-NH2 3.32Å; E28-R346 IonicContact OE1-CZ 2.83Å; E28-R346 IonicContact OE1-NH1 2.64Å; E28-R346 PolarHBondContact OE1-NH1 3.43Å; E28-R346 IonicContact OE1-NH2 3.46Å; E28-R346 PolarHBondContact OE1-NH2 3.12Å; E28-R346 IonicContact OE2-NH2 3.2Å; E28-R346 PolarHBondContact OE2-NH2 3.46Å
29E93.1Very high96.2Very high3 Ų341.1 Ų41.11%0.01418%0.183CC..  trans-115.2135.7-173.1-62.5-62.5159.800112S2 L3 L25 A31 L237 R241S2-E29 WeakPolarHBondContact CB-OE2 3.44Å; S2-E29 PolarHBondContact OG-OE2 2.85Å; L3-E29 HydrophobicContact CB-CB 4.3Å; L3-E29 HydrophobicContact CB-CG 4.09Å; L3-E29 HydrophobicContact CD1-CG 4.27Å; L3-E29 HydrophobicContact CG-CG 4.27Å; L3-E29 PolarHBondContact N-OE2 2.94Å; L25-E29 HydrophobicContact CD2-CG 4.09Å; L25-E29 WeakPolarHBondContact O-CA 3.36Å; L25-E29 VanDerWaalsContact O-CB 3.27Å; L25-E29 WeakPolarHBondContact O-CB 3.4Å; L25-E29 PolarHBondContact O-N 2.87Å; E29-A31 PolarHBondContact O-N 3.42Å; E29-A31 VanDerWaalsContact O-N 3.14Å; E29-L237 HydrophobicContact CG-CD1 3.76Å; E29-L237 WeakPolarHBondContact OE1-CD1 3.09Å; E29-R241 IonicContact OE1-CZ 3.3Å; E29-R241 IonicContact OE1-NE 3.09Å; E29-R241 PolarHBondContact OE1-NE 2.73Å; E29-R241 IonicContact OE1-NH2 2.86Å; E29-R241 PolarHBondContact OE1-NH2 2.97Å
30K91.3Very high96.1Very high151 Ų15141.8 Ų41.866%0.65719%0.19SC*.  trans-88.848.5171.7-61.6-171.3179.5-168.20110.7R4 G5R4-K30 CarbonylContact C-O 3.51Å; R4-K30 VanDerWaalsContact CA-O 3.26Å; R4-K30 WeakPolarHBondContact CA-O 3.46Å; R4-K30 HydrophobicContact CB-CB 4.39Å; R4-K30 HydrophobicContact CG-CB 4Å; G5-K30 PolarHBondContact N-O 3.14Å
31A95.4Very high95.8Very high6 Ų638.8 Ų38.85%0.0518%0.181CC..  trans-59148.717500000109.6D6 E29 I34 T56D6-A31 WeakPolarHBondContact O-CB 3.2Å; E29-A31 PolarHBondContact O-N 3.42Å; E29-A31 VanDerWaalsContact O-N 3.14Å; A31-I34 HydrophobicContact CB-CG1 4.14Å; A31-T56 HydrophobicContact CB-CG2 4.27Å; A31-T56 PolarHBondContact O-OG1 3.44Å
32S96.9Very high95.2Very high52 Ų5242.8 Ų42.836%0.36420%0.2SC..SBendtrans-74.2-37.6175.454.40000110.8G5 D6 V7 T57G5-S32 WeakPolarHBondContact O-CB 3.43Å; G5-S32 PolarHBondContact O-OG 2.82Å; D6-S32 PolarHBondContact O-N 3.04Å; D6-S32 PolarHBondContact O-OG 3.41Å; D6-S32 VanDerWaalsContact O-OG 3.08Å; V7-S32 WeakPolarHBondContact CG2-OG 3.47Å; S32-T57 WeakPolarHBondContact O-CB 3.43Å; S32-T57 PolarHBondContact O-N 2.89Å; S32-T57 PolarHBondContact O-OG1 2.94Å
33E97.9Very high94.7Very high30 Ų3047 Ų4714%0.1423%0.225CC..EExtended strand (participates in β ladder)trans-148.3139.4-179.6-170.9-174176.700110.9D6 V7 C8 R35 T57 S59D6-E33 PolarHBondContact O-N 3.07Å; V7-E33 WeakPolarHBondContact CA-O 3.43Å; V7-E33 HydrophobicContact CB-CB 4.46Å; V7-E33 HydrophobicContact CG1-CB 4.21Å; V7-E33 HydrophobicContact CG2-CB 4.06Å; C8-E33 PolarHBondContact N-O 2.69Å; E33-R35 HydrophobicContact CG-CG 4.05Å; E33-R35 WeakPolarHBondContact OE1-CG 3.37Å; E33-R35 IonicContact OE1-CZ 3.62Å; E33-R35 IonicContact OE1-NE 2.93Å; E33-R35 PolarHBondContact OE1-NE 3.28Å; E33-R35 IonicContact OE1-NH2 2.81Å; E33-R35 IonicContact OE2-CZ 2.66Å; E33-R35 IonicContact OE2-NE 2.91Å; E33-R35 PolarHBondContact OE2-NE 2.83Å; E33-R35 IonicContact OE2-NH2 3.28Å; E33-R35 PolarHBondContact OE2-NH2 2.98Å; E33-T57 CarbonylContact C-O 3.58Å; E33-T57 VanDerWaalsContact CA-O 3.24Å; E33-T57 WeakPolarHBondContact CA-O 3.27Å; E33-T57 HydrophobicContact CG-CG2 4.11Å; E33-S59 WeakPolarHBondContact OE1-CB 3.42Å; E33-S59 PolarHBondContact OE1-OG 2.9Å
34I98.2Very high94.3Very high0 Ų049.5 Ų49.50%024%0.24CC..EExtended strand (participates in β ladder)trans-116.9121.9165.7-61.1175.3000108.4C8 V10 V22 L25 L26 A31 L36 T56 T57 L58 S59C8-I34 HydrophobicContact CB-CG1 4.49Å; C8-I34 CarbonylContact O-C 3.55Å; C8-I34 WeakPolarHBondContact O-CA 3.38Å; V10-I34 HydrophobicContact CG2-CG2 4.45Å; V22-I34 HydrophobicContact CG1-CG2 4.34Å; L25-I34 HydrophobicContact CB-CD1 3.51Å; L25-I34 HydrophobicContact CD1-CD1 4.48Å; L26-I34 HydrophobicContact CD2-CD1 3.65Å; L26-I34 HydrophobicContact CG-CD1 3.88Å; A31-I34 HydrophobicContact CB-CG1 4.14Å; I34-L36 HydrophobicContact CG2-CD1 4.2Å; I34-T56 HydrophobicContact CB-CG2 4.45Å; I34-T56 HydrophobicContact CD1-CG2 4.02Å; I34-T56 HydrophobicContact CG1-CG2 3.83Å; I34-T57 PolarHBondContact N-O 2.87Å; I34-L58 HydrophobicContact CB-CD1 4.15Å; I34-L58 HydrophobicContact CG2-CD1 4.37Å; I34-S59 PolarHBondContact O-N 3.47Å
35R98.1Very high93.8Very high24 Ų2449.2 Ų49.29%0.09124%0.238CC..EExtended strand (participates in β ladder)trans-102116179.9-60-177175.5161.310.8109.6V7 C8 V9 V10 E33 S59 F61 A74 R76V7-R35 HydrophobicContact CG1-CG 4.47Å; V7-R35 VanDerWaalsContact CG1-CZ 3.49Å; C8-R35 PolarHBondContact O-N 2.88Å; V9-R35 HydrophobicContact CB-CB 4.45Å; V9-R35 HydrophobicContact CG1-CB 4.48Å; V9-R35 HydrophobicContact CG2-CB 4.01Å; V9-R35 HydrophobicContact CG2-CG 4.39Å; V10-R35 PolarHBondContact N-O 3.35Å; E33-R35 HydrophobicContact CG-CG 4.05Å; E33-R35 WeakPolarHBondContact OE1-CG 3.37Å; E33-R35 IonicContact OE1-CZ 3.62Å; E33-R35 IonicContact OE1-NE 2.93Å; E33-R35 PolarHBondContact OE1-NE 3.28Å; E33-R35 IonicContact OE1-NH2 2.81Å; E33-R35 IonicContact OE2-CZ 2.66Å; E33-R35 IonicContact OE2-NE 2.91Å; E33-R35 PolarHBondContact OE2-NE 2.83Å; E33-R35 IonicContact OE2-NH2 3.28Å; E33-R35 PolarHBondContact OE2-NH2 2.98Å; R35-S59 CarbonylContact C-O 3.43Å; R35-S59 WeakPolarHBondContact CA-O 3.43Å; R35-F61 HydrophobicContact CB-CD2 3.89Å; R35-F61 HydrophobicContact CB-CE2 3.96Å; R35-F61 HydrophobicContact CG-CD2 4.19Å; R35-F61 HydrophobicContact CG-CE2 3.73Å; R35-A74 VanDerWaalsContact CD-O 3.24Å; R35-A74 WeakPolarHBondContact CD-O 3.34Å; R35-A74 PolarHBondContact NH1-O 3.49Å; R35-R76 PolarHBondContact NH1-O 3.15Å; R35-R76 PolarHBondContact NH2-O 3.32Å; R35-R76 VanDerWaalsContact NH2-O 3.16Å
36L98.1Very high93.4Very high0 Ų051.1 Ų51.10%025%0.249CC..EExtended strand (participates in β ladder)trans-86.3110.8174.9-75.774.9000107.8A13 V22 I34 L46 L49 L58 S59 F61A13-L36 HydrophobicContact CB-CB 3.71Å; A13-L36 HydrophobicContact CB-CD2 4.15Å; A13-L36 HydrophobicContact CB-CG 3.71Å; V22-L36 HydrophobicContact CG1-CD1 4.13Å; V22-L36 HydrophobicContact CG1-CD2 4.44Å; V22-L36 HydrophobicContact CG1-CG 4.4Å; V22-L36 HydrophobicContact CG2-CG 4.28Å; I34-L36 HydrophobicContact CG2-CD1 4.2Å; L36-L46 HydrophobicContact CD2-CD2 3.99Å; L36-L49 HydrophobicContact CD2-CD1 4.09Å; L36-L58 HydrophobicContact CD1-CD1 3.26Å; L36-L58 HydrophobicContact CD1-CD2 4.28Å; L36-L58 HydrophobicContact CD1-CG 3.69Å; L36-S59 PolarHBondContact N-O 3.45Å; L36-F61 PolarHBondContact O-N 3.46Å
37L98.1Very high93.2Very high1 Ų156.6 Ų56.61%0.00527%0.274CS..EExtended strand (participates in β ladder)trans-106.3113.1174.4-166.9167.4000108.8V9 V10 T11 G12 A13 F61 I65 F70 L71 A74V9-L37 HydrophobicContact CG1-CB 4.24Å; V9-L37 HydrophobicContact CG1-CD1 4.35Å; V10-L37 PolarHBondContact O-N 3.25Å; T11-L37 CarbonylContact C-O 3.57Å; T11-L37 VanDerWaalsContact CA-O 3.25Å; T11-L37 WeakPolarHBondContact CA-O 3.45Å; T11-L37 HydrophobicContact CG2-CB 4.39Å; T11-L37 HydrophobicContact CG2-CD1 4.26Å; T11-L37 HydrophobicContact CG2-CD2 4.41Å; G12-L37 PolarHBondContact N-O 2.92Å; A13-L37 PolarHBondContact N-O 2.87Å; L37-F61 WeakPolarHBondContact CA-O 3.39Å; L37-F61 HydrophobicContact CB-CB 4.4Å; L37-F61 HydrophobicContact CG-CB 4.32Å; L37-I65 HydrophobicContact CD2-CG2 3.65Å; L37-F70 HydrophobicContact CD1-CE1 3.88Å; L37-F70 HydrophobicContact CD1-CZ 4.36Å; L37-F70 HydrophobicContact CD2-CE1 3.91Å; L37-F70 HydrophobicContact CD2-CZ 4.41Å; L37-F70 HydrophobicContact CG-CE1 3.79Å; L37-F70 HydrophobicContact CG-CZ 3.99Å; L37-L71 HydrophobicContact CD1-CD2 3.74Å; L37-A74 HydrophobicContact CD1-CB 3.89Å
38D97.3Very high92.9Very high27 Ų2754.5 Ų54.514%0.14427%0.27CS..EExtended strand (participates in β ladder)trans-148.6157.9175.9-147.7-59.3000110.5G12 A13 C14 D40 V41 F61 E62 G63G12-D38 WeakPolarHBondContact CA-OD2 3.11Å; A13-D38 PolarHBondContact N-OD2 3.38Å; C14-D38 WeakPolarHBondContact CA-OD2 3.49Å; C14-D38 HydrophobicContact CB-CB 4.14Å; C14-D38 WeakPolarHBondContact CB-OD2 3.31Å; C14-D38 PolarHBondContact N-OD2 3.33Å; D38-D40 VanDerWaalsContact C-N 3.35Å; D38-D40 PolarHBondContact OD1-N 3.28Å; D38-V41 HydrophobicContact CB-CG2 3.87Å; D38-F61 PolarHBondContact N-O 2.97Å; D38-E62 CarbonylContact O-C 3.55Å; D38-E62 VanDerWaalsContact O-CA 3.26Å; D38-E62 WeakPolarHBondContact O-CA 3.4Å; D38-G63 CarbonylContact C-O 3.57Å; D38-G63 PolarHBondContact O-N 3.28Å
39R94.2Very high92.9Very high144 Ų14450.8 Ų50.854%0.54325%0.253SS..SBendtrans-77.4-27.6176.2-170.1-17868.2-177.51.1111.7G63R39-G63 WeakPolarHBondContact CA-O 3.32Å; R39-G63 PolarHBondContact N-O 3.03Å
40D91.8Very high92.7Very high85 Ų8555.6 Ų55.646%0.45528%0.275SS..SBendtrans-132.5106.2178.5175.132.1000108.5D38 Q42D38-D40 VanDerWaalsContact C-N 3.35Å; D38-D40 PolarHBondContact OD1-N 3.28Å; D40-Q42 PolarHBondContact OD2-NE2 3.12Å; D40-Q42 VanDerWaalsContact OD2-NE2 3.11Å
41V90.8Very high92.5Very high17 Ų1753.8 Ų53.810%0.10327%0.273CS..  trans-103.8106.4179.6-1780000109.2D38 L46 V60 E62D38-V41 HydrophobicContact CB-CG2 3.87Å; V41-L46 HydrophobicContact CG1-CD1 4.31Å; V41-L46 HydrophobicContact CG1-CD2 4.36Å; V41-L46 HydrophobicContact CG1-CG 4.37Å; V41-V60 HydrophobicContact CB-CG1 4Å; V41-V60 HydrophobicContact CG1-CG1 3.71Å; V41-V60 HydrophobicContact CG1-CG2 4.43Å; V41-V60 HydrophobicContact CG2-CG1 3.82Å; V41-E62 HydrophobicContact CB-CG 4.39Å; V41-E62 HydrophobicContact CG2-CB 4.03Å; V41-E62 HydrophobicContact CG2-CG 4.09Å
42Q86.3Confident92.2Very high85 Ų8554.3 Ų54.340%0.39728%0.276SS..  trans-84.8131.2-179.4-66.5171.421.100110.5D40 Q44 V45D40-Q42 PolarHBondContact OD2-NE2 3.12Å; D40-Q42 VanDerWaalsContact OD2-NE2 3.11Å; Q42-Q44 PolarHBondContact O-N 2.74Å; Q42-Q44 VanDerWaalsContact O-N 3.12Å; Q42-V45 HydrophobicContact CB-CG2 4.15Å; Q42-V45 VanDerWaalsContact O-CB 3.32Å; Q42-V45 WeakPolarHBondContact O-CB 3.26Å; Q42-V45 PolarHBondContact O-N 2.74Å
43T87.8Confident91.6Very high88 Ų8855.5 Ų55.554%0.5427%0.273SS..Hα-helixtrans-52.2-38179.1-49.30000112.5V45 L46 E47T43-V45 PolarHBondContact O-N 2.83Å; T43-L46 WeakPolarHBondContact O-CB 3.27Å; T43-L46 PolarHBondContact O-N 3.46Å; T43-E47 HydrophobicContact CG2-CG 4.34Å; T43-E47 WeakPolarHBondContact O-CG 3.27Å; T43-E47 PolarHBondContact O-N 2.86Å
44Q86.8Confident91.1Very high123 Ų12357.5 Ų57.558%0.57530%0.302SS*.Hα-helixtrans-61.6-28.2179.5-60.183-1.800112.7Q42 S48Q42-Q44 PolarHBondContact O-N 2.74Å; Q42-Q44 VanDerWaalsContact O-N 3.12Å; Q44-S48 WeakPolarHBondContact O-CB 3.23Å; Q44-S48 PolarHBondContact O-N 2.68Å; Q44-S48 PolarHBondContact O-OG 2.74Å
45V87.1Confident90.7Very high3 Ų367 Ų672%0.01835%0.346CS..Hα-helixtrans-67.6-45.4174.4178.50000110C14 K19 Q42 T43 S48 L49C14-V45 HydrophobicContact CB-CG2 4.39Å; K19-V45 HydrophobicContact CD-CG1 4.17Å; K19-V45 HydrophobicContact CD-CG2 3.89Å; K19-V45 HydrophobicContact CG-CG1 4.01Å; Q42-V45 HydrophobicContact CB-CG2 4.15Å; Q42-V45 VanDerWaalsContact O-CB 3.32Å; Q42-V45 WeakPolarHBondContact O-CB 3.26Å; Q42-V45 PolarHBondContact O-N 2.74Å; T43-V45 PolarHBondContact O-N 2.83Å; V45-S48 PolarHBondContact O-N 2.66Å; V45-S48 PolarHBondContact O-OG 3.01Å; V45-L49 HydrophobicContact CG1-CD1 4.3Å; V45-L49 VanDerWaalsContact O-CG 3.32Å; V45-L49 WeakPolarHBondContact O-CG 3.46Å; V45-L49 PolarHBondContact O-N 3.27Å
46L89.2Confident90.6Very high42 Ų4266.3 Ų66.322%0.2234%0.344CS..Hα-helixtrans-64.4-45.9179.2-56.1175.8000110.8L36 V41 T43 S48 L49 E50 L58 V60L36-L46 HydrophobicContact CD2-CD2 3.99Å; V41-L46 HydrophobicContact CG1-CD1 4.31Å; V41-L46 HydrophobicContact CG1-CD2 4.36Å; V41-L46 HydrophobicContact CG1-CG 4.37Å; T43-L46 WeakPolarHBondContact O-CB 3.27Å; T43-L46 PolarHBondContact O-N 3.46Å; L46-S48 PolarHBondContact O-N 2.89Å; L46-L49 PolarHBondContact O-N 3.35Å; L46-E50 PolarHBondContact O-N 3.14Å; L46-L58 HydrophobicContact CD2-CD2 4.21Å; L46-V60 HydrophobicContact CD1-CG2 3.89Å; L46-V60 HydrophobicContact CD2-CG2 3.62Å; L46-V60 HydrophobicContact CG-CG2 4.42Å
47E90.4Very high90.5Very high126 Ų12669.7 Ų69.759%0.58937%0.365SS*.Hα-helixtrans-57.2-38.5175.8-69172.1176.400112.1T43 L49 E50T43-E47 HydrophobicContact CG2-CG 4.34Å; T43-E47 WeakPolarHBondContact O-CG 3.27Å; T43-E47 PolarHBondContact O-N 2.86Å; E47-L49 PolarHBondContact O-N 2.81Å; E47-E50 PolarHBondContact O-N 3.15Å
48S90.1Very high90.4Very high56 Ų5670.6 Ų70.639%0.39237%0.37SS..THydrogen-bonded Turntrans-71.1-5.3178.2770000115.2R23 Q44 V45 L46R23-S48 PolarHBondContact NH1-O 3.02Å; Q44-S48 WeakPolarHBondContact O-CB 3.23Å; Q44-S48 PolarHBondContact O-N 2.68Å; Q44-S48 PolarHBondContact O-OG 2.74Å; V45-S48 PolarHBondContact O-N 2.66Å; V45-S48 PolarHBondContact O-OG 3.01Å; L46-S48 PolarHBondContact O-N 2.89Å
49L92.1Very high90.3Very high3 Ų370.8 Ų70.82%0.01637%0.373CS..THydrogen-bonded Turntrans-111.1-11.9-179.4-62.6170.7000112.8V22 R23 L26 L36 V45 L46 E47 D51 C52 R53 L58V22-L49 HydrophobicContact CG1-CD1 3.6Å; V22-L49 HydrophobicContact CG1-CD2 4.15Å; R23-L49 HydrophobicContact CB-CD2 3.83Å; R23-L49 HydrophobicContact CG-CD2 4.43Å; L26-L49 HydrophobicContact CD1-CB 3.96Å; L26-L49 HydrophobicContact CD1-CD2 4.13Å; L26-L49 HydrophobicContact CD1-CG 4.42Å; L36-L49 HydrophobicContact CD2-CD1 4.09Å; V45-L49 HydrophobicContact CG1-CD1 4.3Å; V45-L49 VanDerWaalsContact O-CG 3.32Å; V45-L49 WeakPolarHBondContact O-CG 3.46Å; V45-L49 PolarHBondContact O-N 3.27Å; L46-L49 PolarHBondContact O-N 3.35Å; E47-L49 PolarHBondContact O-N 2.81Å; L49-D51 PolarHBondContact O-N 2.94Å; L49-C52 PolarHBondContact O-N 2.81Å; L49-C52 PolarHBondContact O-SG 2.94Å; L49-R53 PolarHBondContact O-N 3.29Å; L49-R53 VanDerWaalsContact O-N 3.1Å; L49-L58 HydrophobicContact CB-CD2 4.45Å; L49-L58 HydrophobicContact CD1-CD2 4.26Å
50E88.2Confident90.4Very high104 Ų10466.9 Ų66.949%0.48637%0.366SS..THydrogen-bonded Turntrans-62.8-30.4-178.2-71.8-61.5156.200112.4L46 E47 C52 R53L46-E50 PolarHBondContact O-N 3.14Å; E47-E50 PolarHBondContact O-N 3.15Å; E50-C52 VanDerWaalsContact C-N 3.28Å; E50-C52 PolarHBondContact O-N 2.88Å; E50-R53 IonicContact OE1-NH1 2.83Å; E50-R53 PolarHBondContact OE1-NH1 3.27Å; E50-R53 IonicContact OE2-NH1 3.44Å
51D88.5Confident90.7Very high114 Ų11465 Ų6561%0.6135%0.353SS*.THydrogen-bonded Turntrans-68.4-24.8178.670.2-40.8000113.8R23 L49R23-D51 IonicContact CZ-OD1 2.94Å; R23-D51 IonicContact CZ-OD2 2.98Å; R23-D51 IonicContact NH1-OD1 3.27Å; R23-D51 PolarHBondContact NH1-OD1 3.42Å; R23-D51 IonicContact NH1-OD2 3.81Å; R23-D51 PolarHBondContact NH1-OD2 3.1Å; R23-D51 IonicContact NH2-OD1 2.72Å; R23-D51 IonicContact NH2-OD2 2.93Å; R23-D51 PolarHBondContact NH2-OD2 2.83Å; L49-D51 PolarHBondContact O-N 2.94Å
52C88.9Confident91Very high17 Ų1769.9 Ų69.912%0.11538%0.375CS..THydrogen-bonded Turntrans-112.3-1-177.354.50000113.6L26 E27 L49 E50 G54L26-C52 HydrophobicContact CB-CB 4.43Å; L26-C52 WeakPolarHBondContact CB-O 3.49Å; E27-C52 HydrophobicContact CG-CB 3.73Å; L49-C52 PolarHBondContact O-N 2.81Å; L49-C52 PolarHBondContact O-SG 2.94Å; E50-C52 VanDerWaalsContact C-N 3.28Å; E50-C52 PolarHBondContact O-N 2.88Å; C52-G54 PolarHBondContact O-N 2.89Å
53R83.6Confident91.5Very high76 Ų7666.7 Ų66.729%0.28737%0.365SS..  trans-59.7-39-171.8-174.9175.8177.8169.40.1114.7L49 E50 E55 T56L49-R53 PolarHBondContact O-N 3.29Å; L49-R53 VanDerWaalsContact O-N 3.1Å; E50-R53 IonicContact OE1-NH1 2.83Å; E50-R53 PolarHBondContact OE1-NH1 3.27Å; E50-R53 IonicContact OE2-NH1 3.44Å; R53-E55 PolarHBondContact O-N 2.79Å; R53-T56 WeakPolarHBondContact CG-O 3.45Å; R53-T56 PolarHBondContact NE-O 2.82Å; R53-T56 WeakPolarHBondContact O-CB 3.48Å; R53-T56 PolarHBondContact O-N 3.12Å
54G87.8Confident91.9Very high73 Ų7364.3 Ų64.375%0.75335%0.349SS*.THydrogen-bonded Turntrans55.6-133.2-176.500000112.8C52C52-G54 PolarHBondContact O-N 2.89Å
55E90.1Very high92.5Very high198 Ų19858.9 Ų58.993%0.92532%0.324SS*.THydrogen-bonded Turntrans-88.7-4.7178.2-64.7176.918000113.3R53R53-E55 PolarHBondContact O-N 2.79Å
56T95.4Very high93Very high10 Ų1062.9 Ų62.96%0.06134%0.339CS..  trans-73.7130.8-174.8-58.20000110.6L26 A31 I34 R53 L58L26-T56 HydrophobicContact CD2-CG2 3.78Å; A31-T56 HydrophobicContact CB-CG2 4.27Å; A31-T56 PolarHBondContact O-OG1 3.44Å; I34-T56 HydrophobicContact CB-CG2 4.45Å; I34-T56 HydrophobicContact CD1-CG2 4.02Å; I34-T56 HydrophobicContact CG1-CG2 3.83Å; R53-T56 WeakPolarHBondContact CG-O 3.45Å; R53-T56 PolarHBondContact NE-O 2.82Å; R53-T56 WeakPolarHBondContact O-CB 3.48Å; R53-T56 PolarHBondContact O-N 3.12Å; T56-L58 PolarHBondContact O-N 3.39Å
57T95.8Very high93.4Very high71 Ų7164.7 Ų64.744%0.43635%0.349SS..EExtended strand (participates in β ladder)trans-71.6128.5173.9-60.80000109.6S32 E33 I34S32-T57 WeakPolarHBondContact O-CB 3.43Å; S32-T57 PolarHBondContact O-N 2.89Å; S32-T57 PolarHBondContact O-OG1 2.94Å; E33-T57 CarbonylContact C-O 3.58Å; E33-T57 VanDerWaalsContact CA-O 3.24Å; E33-T57 WeakPolarHBondContact CA-O 3.27Å; E33-T57 HydrophobicContact CG-CG2 4.11Å; I34-T57 PolarHBondContact N-O 2.87Å
58L95.6Very high93.7Very high21 Ų2160 Ų6011%0.1133%0.334CS..EExtended strand (participates in β ladder)trans-106.5121174.8-158.870.9000108.8L26 I34 L36 L46 L49 T56L26-L58 HydrophobicContact CD1-CD1 4.32Å; L26-L58 HydrophobicContact CD2-CD1 4.36Å; I34-L58 HydrophobicContact CB-CD1 4.15Å; I34-L58 HydrophobicContact CG2-CD1 4.37Å; L36-L58 HydrophobicContact CD1-CD1 3.26Å; L36-L58 HydrophobicContact CD1-CD2 4.28Å; L36-L58 HydrophobicContact CD1-CG 3.69Å; L46-L58 HydrophobicContact CD2-CD2 4.21Å; L49-L58 HydrophobicContact CB-CD2 4.45Å; L49-L58 HydrophobicContact CD1-CD2 4.26Å; T56-L58 PolarHBondContact O-N 3.39Å
59S96Very high94Very high30 Ų3062.8 Ų62.821%0.2135%0.345CS..EExtended strand (participates in β ladder)trans-121.6141.8-179.9-63.10000110.4E33 I34 R35 L36E33-S59 WeakPolarHBondContact OE1-CB 3.42Å; E33-S59 PolarHBondContact OE1-OG 2.9Å; I34-S59 PolarHBondContact O-N 3.47Å; R35-S59 CarbonylContact C-O 3.43Å; R35-S59 WeakPolarHBondContact CA-O 3.43Å; L36-S59 PolarHBondContact N-O 3.45Å
60V97.1Very high94.3Very high63 Ų6364 Ų6438%0.38235%0.35SS..EExtended strand (participates in β ladder)trans-108.9128.1-179.1177.90000109.8V41 L46 E62V41-V60 HydrophobicContact CB-CG1 4Å; V41-V60 HydrophobicContact CG1-CG1 3.71Å; V41-V60 HydrophobicContact CG1-CG2 4.43Å; V41-V60 HydrophobicContact CG2-CG1 3.82Å; L46-V60 HydrophobicContact CD1-CG2 3.89Å; L46-V60 HydrophobicContact CD2-CG2 3.62Å; L46-V60 HydrophobicContact CG-CG2 4.42Å; V60-E62 HydrophobicContact CG1-CB 4.49Å
61F97.6Very high94.8Very high45 Ų4559 Ų5920%0.19733%0.327CS..EExtended strand (participates in β ladder)trans-120.988.4172.7-71.7-93.6000107.6R35 L36 L37 D38 F70 A74R35-F61 HydrophobicContact CB-CD2 3.89Å; R35-F61 HydrophobicContact CB-CE2 3.96Å; R35-F61 HydrophobicContact CG-CD2 4.19Å; R35-F61 HydrophobicContact CG-CE2 3.73Å; L36-F61 PolarHBondContact O-N 3.46Å; L37-F61 WeakPolarHBondContact CA-O 3.39Å; L37-F61 HydrophobicContact CB-CB 4.4Å; L37-F61 HydrophobicContact CG-CB 4.32Å; D38-F61 PolarHBondContact N-O 2.97Å; F61-F70 HydrophobicContact CB-CE2 4.02Å; F61-F70 HydrophobicContact CB-CZ 3.77Å; F61-F70 HydrophobicContact CD1-CE2 4.36Å; F61-F70 WeakPolarHBondContact O-CZ 3.22Å; F61-A74 HydrophobicContact CB-CB 4.25Å; F61-A74 HydrophobicContact CD1-CB 3.58Å; F61-A74 HydrophobicContact CE1-CB 4.03Å; F61-A74 HydrophobicContact CG-CB 3.87Å
62E97.5Very high95.2Very high120 Ų12058.4 Ų58.456%0.56132%0.316SS*.EExtended strand (participates in β ladder)trans-83114.8176.1-168.8177.9155.800109.8D38 V41 V60D38-E62 CarbonylContact O-C 3.55Å; D38-E62 VanDerWaalsContact O-CA 3.26Å; D38-E62 WeakPolarHBondContact O-CA 3.4Å; V41-E62 HydrophobicContact CB-CG 4.39Å; V41-E62 HydrophobicContact CG2-CB 4.03Å; V41-E62 HydrophobicContact CG2-CG 4.09Å; V60-E62 HydrophobicContact CG1-CB 4.49Å
63G96.3Very high95.6Very high18 Ų1864.1 Ų64.119%0.18634%0.338CS..SBendtrans174.3174.4-17600000113.9D38 R39 F70D38-G63 CarbonylContact C-O 3.57Å; D38-G63 PolarHBondContact O-N 3.28Å; R39-G63 WeakPolarHBondContact CA-O 3.32Å; R39-G63 PolarHBondContact N-O 3.03Å; G63-F70 VanDerWaalsContact CA-CZ 3.5Å
64D96.8Very high96.3Very high38 Ų3860.5 Ų60.520%0.20333%0.325CS..  trans-96.3135.6-177.6-162.3-56.1000110.7R66 D67D64-R66 PolarHBondContact O-N 2.93Å; D64-R66 VanDerWaalsContact OD1-CB 3.25Å; D64-R66 WeakPolarHBondContact OD1-CB 3.29Å; D64-R66 VanDerWaalsContact OD1-CG 3.23Å; D64-R66 WeakPolarHBondContact OD1-CG 3.43Å; D64-R66 IonicContact OD1-CZ 2.76Å; D64-R66 PolarHBondContact OD1-N 3.1Å; D64-R66 IonicContact OD1-NE 3.13Å; D64-R66 PolarHBondContact OD1-NE 2.94Å; D64-R66 IonicContact OD1-NH2 3.71Å; D64-R66 IonicContact OD2-CZ 2.81Å; D64-R66 IonicContact OD2-NE 3.42Å; D64-R66 PolarHBondContact OD2-NE 2.82Å; D64-R66 IonicContact OD2-NH2 2.7Å; D64-R66 PolarHBondContact OD2-NH2 2.94Å; D64-D67 PolarHBondContact O-N 3.16Å
65I97.8Very high96.9Very high9 Ų957 Ų575%0.04629%0.289CS..THydrogen-bonded Turntrans-67-5.3176.962.4170000113.4L37 D67 L71 A85 V102 G106L37-I65 HydrophobicContact CD2-CG2 3.65Å; I65-D67 VanDerWaalsContact C-N 3.32Å; I65-L71 HydrophobicContact CB-CD2 4.35Å; I65-L71 HydrophobicContact CG2-CD2 4.27Å; I65-L71 VanDerWaalsContact O-CD1 3.24Å; I65-L71 WeakPolarHBondContact O-CD1 3.48Å; I65-A85 HydrophobicContact CD1-CB 4.17Å; I65-A85 HydrophobicContact CG2-CB 4.47Å; I65-V102 HydrophobicContact CD1-CG1 3.9Å; I65-V102 WeakPolarHBondContact CD1-O 3.39Å; I65-V102 HydrophobicContact CG1-CG1 4.34Å; I65-G106 WeakPolarHBondContact O-CA 3.32Å
66R97.4Very high97.2Very high87 Ų8754.8 Ų54.833%0.32827%0.272SS..THydrogen-bonded Turntrans-83.6-7.6172.1-63.3175.1-69.7-174.5-5113.2D64 E98 G101 L109D64-R66 PolarHBondContact O-N 2.93Å; D64-R66 VanDerWaalsContact OD1-CB 3.25Å; D64-R66 WeakPolarHBondContact OD1-CB 3.29Å; D64-R66 VanDerWaalsContact OD1-CG 3.23Å; D64-R66 WeakPolarHBondContact OD1-CG 3.43Å; D64-R66 IonicContact OD1-CZ 2.76Å; D64-R66 PolarHBondContact OD1-N 3.1Å; D64-R66 IonicContact OD1-NE 3.13Å; D64-R66 PolarHBondContact OD1-NE 2.94Å; D64-R66 IonicContact OD1-NH2 3.71Å; D64-R66 IonicContact OD2-CZ 2.81Å; D64-R66 IonicContact OD2-NE 3.42Å; D64-R66 PolarHBondContact OD2-NE 2.82Å; D64-R66 IonicContact OD2-NH2 2.7Å; D64-R66 PolarHBondContact OD2-NH2 2.94Å; R66-E98 IonicContact CZ-OE1 2.87Å; R66-E98 IonicContact CZ-OE2 3.67Å; R66-E98 VanDerWaalsContact NH1-CD 3.29Å; R66-E98 IonicContact NH1-OE1 2.9Å; R66-E98 PolarHBondContact NH1-OE1 2.96Å; R66-E98 IonicContact NH1-OE2 3.56Å; R66-E98 PolarHBondContact NH1-OE2 2.99Å; R66-E98 IonicContact NH2-OE1 3.93Å; R66-E98 PolarHBondContact NH2-OE1 3.21Å; R66-E98 VanDerWaalsContact NH2-OE1 3.17Å; R66-G101 WeakPolarHBondContact CG-O 3.45Å; R66-L109 WeakPolarHBondContact O-CD1 3.47Å
67D98.1Very high97.4Very high80 Ų8057.1 Ų57.143%0.42830%0.298SS..  trans-94.5103.6175-178.3-20000110.4D64 I65 D69 F70 L71D64-D67 PolarHBondContact O-N 3.16Å; I65-D67 VanDerWaalsContact C-N 3.32Å; D67-D69 PolarHBondContact O-N 2.82Å; D67-D69 PolarHBondContact OD1-N 2.87Å; D67-F70 HydrophobicContact CB-CB 3.75Å; D67-F70 VanDerWaalsContact CG-CB 3.41Å; D67-F70 WeakPolarHBondContact O-CB 3.35Å; D67-F70 PolarHBondContact O-N 3.11Å; D67-F70 PolarHBondContact OD1-N 3.22Å; D67-L71 WeakPolarHBondContact O-CG 3.39Å; D67-L71 PolarHBondContact O-N 3.43Å
68G96.9Very high97.5Very high28 Ų2854 Ų5429%0.28928%0.279SS..Hα-helixtrans-63-38-178.900000114L71 R72G68-L71 PolarHBondContact O-N 3.22Å; G68-R72 WeakPolarHBondContact O-CG 3.14Å; G68-R72 PolarHBondContact O-N 3.31Å
69D96.8Very high97.6Very high114 Ų11454.1 Ų54.161%0.6128%0.282SS*.Hα-helixtrans-69.8-38.1-179.9-78-25.5000111.1D67 K73D67-D69 PolarHBondContact O-N 2.82Å; D67-D69 PolarHBondContact OD1-N 2.87Å; D69-K73 WeakPolarHBondContact O-CG 3.33Å; D69-K73 PolarHBondContact O-N 3.01Å
70F97.9Very high97.7Very high28 Ų2852.8 Ų52.812%0.12327%0.273CS..Hα-helixtrans-60.8-48.1170.9169.1-103.9000111.5L37 F61 G63 D67 R72 K73 A74L37-F70 HydrophobicContact CD1-CE1 3.88Å; L37-F70 HydrophobicContact CD1-CZ 4.36Å; L37-F70 HydrophobicContact CD2-CE1 3.91Å; L37-F70 HydrophobicContact CD2-CZ 4.41Å; L37-F70 HydrophobicContact CG-CE1 3.79Å; L37-F70 HydrophobicContact CG-CZ 3.99Å; F61-F70 HydrophobicContact CB-CE2 4.02Å; F61-F70 HydrophobicContact CB-CZ 3.77Å; F61-F70 HydrophobicContact CD1-CE2 4.36Å; F61-F70 WeakPolarHBondContact O-CZ 3.22Å; G63-F70 VanDerWaalsContact CA-CZ 3.5Å; D67-F70 HydrophobicContact CB-CB 3.75Å; D67-F70 VanDerWaalsContact CG-CB 3.41Å; D67-F70 WeakPolarHBondContact O-CB 3.35Å; D67-F70 PolarHBondContact O-N 3.11Å; D67-F70 PolarHBondContact OD1-N 3.22Å; F70-R72 VanDerWaalsContact C-N 3.33Å; F70-R72 PolarHBondContact O-N 2.91Å; F70-K73 WeakPolarHBondContact O-CB 3.33Å; F70-K73 PolarHBondContact O-N 3.22Å; F70-K73 VanDerWaalsContact O-N 3.16Å; F70-A74 PolarHBondContact O-N 3.3Å
71L98.4Very high97.8Very high0 Ų049.8 Ų49.80%025%0.254CS..Hα-helixtrans-59.3-43.2178.7-72.4-175.7000112.4L37 I65 D67 G68 K73 A74 L75 L109 L110 A113L37-L71 HydrophobicContact CD1-CD2 3.74Å; I65-L71 HydrophobicContact CB-CD2 4.35Å; I65-L71 HydrophobicContact CG2-CD2 4.27Å; I65-L71 VanDerWaalsContact O-CD1 3.24Å; I65-L71 WeakPolarHBondContact O-CD1 3.48Å; D67-L71 WeakPolarHBondContact O-CG 3.39Å; D67-L71 PolarHBondContact O-N 3.43Å; G68-L71 PolarHBondContact O-N 3.22Å; L71-K73 VanDerWaalsContact C-N 3.33Å; L71-K73 PolarHBondContact O-N 3.47Å; L71-A74 PolarHBondContact O-N 3.39Å; L71-L75 HydrophobicContact CB-CD1 4.46Å; L71-L75 WeakPolarHBondContact O-CB 3.36Å; L71-L75 WeakPolarHBondContact O-CD1 3.49Å; L71-L75 VanDerWaalsContact O-CG 3.27Å; L71-L75 WeakPolarHBondContact O-CG 3.34Å; L71-L75 PolarHBondContact O-N 2.85Å; L71-L109 HydrophobicContact CD1-CB 3.87Å; L71-L110 HydrophobicContact CD1-CB 4.14Å; L71-L110 HydrophobicContact CD1-CD1 3.91Å; L71-L110 HydrophobicContact CD2-CD1 3.48Å; L71-L110 VanDerWaalsContact CD2-CD1 3.48Å; L71-L110 HydrophobicContact CG-CD1 4.19Å; L71-A113 HydrophobicContact CB-CB 4Å
72R97.8Very high97.9Very high100 Ų10047.7 Ų47.738%0.37725%0.245SC..Hα-helixtrans-59.4-43175.7-72.6-171.769-178.61.1112.6G68 F70 L75 R76 A113 E117G68-R72 WeakPolarHBondContact O-CG 3.14Å; G68-R72 PolarHBondContact O-N 3.31Å; F70-R72 VanDerWaalsContact C-N 3.33Å; F70-R72 PolarHBondContact O-N 2.91Å; R72-L75 PolarHBondContact O-N 3.03Å; R72-R76 PolarHBondContact O-N 2.89Å; R72-R76 VanDerWaalsContact O-N 3.16Å; R72-A113 HydrophobicContact CG-CB 4.29Å; R72-E117 HydrophobicContact CB-CG 4.4Å; R72-E117 IonicContact CZ-OE1 3.23Å; R72-E117 IonicContact NE-OE1 3.3Å; R72-E117 PolarHBondContact NE-OE1 2.59Å; R72-E117 IonicContact NH2-OE1 2.85Å; R72-E117 PolarHBondContact NH2-OE1 2.95Å
73K97.9Very high97.9Very high137 Ų13742 Ų4260%0.59622%0.218SC*.Hα-helixtrans-62.6-44.5175.8-69.6169.2-173.61700111.2D69 F70 L71 L75D69-K73 WeakPolarHBondContact O-CG 3.33Å; D69-K73 PolarHBondContact O-N 3.01Å; F70-K73 WeakPolarHBondContact O-CB 3.33Å; F70-K73 PolarHBondContact O-N 3.22Å; F70-K73 VanDerWaalsContact O-N 3.16Å; L71-K73 VanDerWaalsContact C-N 3.33Å; L71-K73 PolarHBondContact O-N 3.47Å; K73-L75 VanDerWaalsContact C-N 3.32Å; K73-L75 PolarHBondContact O-N 3.08Å
74A98.1Very high98.1Very high0 Ų042.1 Ų42.10%022%0.215CC..Hα-helixtrans-67.3-30.9-179.500000113.4R35 L37 F61 F70 L71R35-A74 VanDerWaalsContact CD-O 3.24Å; R35-A74 WeakPolarHBondContact CD-O 3.34Å; R35-A74 PolarHBondContact NH1-O 3.49Å; L37-A74 HydrophobicContact CD1-CB 3.89Å; F61-A74 HydrophobicContact CB-CB 4.25Å; F61-A74 HydrophobicContact CD1-CB 3.58Å; F61-A74 HydrophobicContact CE1-CB 4.03Å; F61-A74 HydrophobicContact CG-CB 3.87Å; F70-A74 PolarHBondContact O-N 3.3Å; L71-A74 PolarHBondContact O-N 3.39Å
75L98.7Very high98.1Very high0 Ų041.1 Ų41.10%021%0.212CC..Hα-helixtrans-92.6-9.1-176.7-68.5165.9000114.2V9 L71 R72 K73 G77 A78 V81 L110 A113 E117 V119V9-L75 HydrophobicContact CB-CD2 4.28Å; V9-L75 HydrophobicContact CG1-CD2 4.37Å; V9-L75 HydrophobicContact CG2-CD2 4.03Å; L71-L75 HydrophobicContact CB-CD1 4.46Å; L71-L75 WeakPolarHBondContact O-CB 3.36Å; L71-L75 WeakPolarHBondContact O-CD1 3.49Å; L71-L75 VanDerWaalsContact O-CG 3.27Å; L71-L75 WeakPolarHBondContact O-CG 3.34Å; L71-L75 PolarHBondContact O-N 2.85Å; R72-L75 PolarHBondContact O-N 3.03Å; K73-L75 VanDerWaalsContact C-N 3.32Å; K73-L75 PolarHBondContact O-N 3.08Å; L75-G77 PolarHBondContact O-N 3.46Å; L75-G77 VanDerWaalsContact O-N 3.09Å; L75-A78 WeakPolarHBondContact O-CB 3.22Å; L75-A78 PolarHBondContact O-N 3.48Å; L75-V81 HydrophobicContact CD2-CG2 3.23Å; L75-L110 HydrophobicContact CD1-CD1 3.92Å; L75-A113 HydrophobicContact CD1-CB 3.42Å; L75-A113 VanDerWaalsContact CD1-CB 3.42Å; L75-E117 HydrophobicContact CB-CB 4.09Å; L75-E117 HydrophobicContact CB-CG 4.2Å; L75-V119 HydrophobicContact CB-CG2 4.3Å; L75-V119 HydrophobicContact CD2-CG2 4.05Å
76R98.2Very high97.9Very high152 Ų15242.4 Ų42.457%0.57422%0.221SC*.THydrogen-bonded Turntrans-57.3117.1-178.3-176.4174.6-67.1171.71.4112R35 R72 A78 E117R35-R76 PolarHBondContact NH1-O 3.15Å; R35-R76 PolarHBondContact NH2-O 3.32Å; R35-R76 VanDerWaalsContact NH2-O 3.16Å; R72-R76 PolarHBondContact O-N 2.89Å; R72-R76 VanDerWaalsContact O-N 3.16Å; R76-A78 PolarHBondContact O-N 3.32Å; R76-E117 IonicContact NE-OE2 3.05Å
77G98Very high97.7Very high58 Ų5839.7 Ų39.760%0.59821%0.213SC*.THydrogen-bonded Turntrans75.36-178.800000114.6L75L75-G77 PolarHBondContact O-N 3.46Å; L75-G77 VanDerWaalsContact O-N 3.09Å
78A98.6Very high97.3Very high5 Ų540 Ų404%0.04121%0.214CC..  trans-73.5147.3171.300000111.1V7 V9 L75 R76 V119V7-A78 HydrophobicContact CG1-CB 4.04Å; V9-A78 HydrophobicContact CG2-CB 3.64Å; L75-A78 WeakPolarHBondContact O-CB 3.22Å; L75-A78 PolarHBondContact O-N 3.48Å; R76-A78 PolarHBondContact O-N 3.32Å; A78-V119 HydrophobicContact CB-CG2 4.17Å
79S98.1Very high96.7Very high25 Ų2539.1 Ų39.118%0.17520%0.203CC..  trans-111.1-27.4174.7630000112.8D6 V7 V119 V120 S121D6-S79 VanDerWaalsContact CB-OG 3.32Å; D6-S79 WeakPolarHBondContact CB-OG 3.33Å; V7-S79 PolarHBondContact O-N 2.98Å; S79-V119 WeakPolarHBondContact O-CG1 3.43Å; S79-V120 WeakPolarHBondContact O-CG2 3.43Å; S79-V120 PolarHBondContact O-N 2.91Å; S79-V120 VanDerWaalsContact O-N 3.08Å; S79-S121 PolarHBondContact O-N 3.44Å
80T98.7Very high95.7Very high2 Ų235 Ų351%0.01218%0.182CC..EExtended strand (participates in β ladder)trans-132.9133.8-176.3-57.70000111.3V7 C8 V9 F82 S121 I123 A240V7-T80 PolarHBondContact O-N 3.25Å; C8-T80 CarbonylContact C-O 3.6Å; C8-T80 WeakPolarHBondContact CA-O 3.45Å; V9-T80 PolarHBondContact N-O 2.98Å; T80-F82 HydrophobicContact CG2-CD2 4.2Å; T80-F82 HydrophobicContact CG2-CE1 4.49Å; T80-F82 HydrophobicContact CG2-CE2 3.66Å; T80-F82 HydrophobicContact CG2-CZ 3.84Å; T80-S121 CarbonylContact C-O 3.6Å; T80-S121 WeakPolarHBondContact CA-O 3.49Å; T80-I123 HydrophobicContact CG2-CD1 3.72Å; T80-A240 HydrophobicContact CG2-CB 4.01Å
81V98.9Very high94.5Very high0 Ų035.7 Ų35.70%019%0.188CC..EExtended strand (participates in β ladder)trans-119.1127.2174173.80000110V9 L75 H83 L110 V119 S121 F122 I123V9-V81 HydrophobicContact CB-CG2 4.17Å; V9-V81 CarbonylContact O-C 3.55Å; V9-V81 WeakPolarHBondContact O-CA 3.35Å; L75-V81 HydrophobicContact CD2-CG2 3.23Å; V81-H83 HydrophobicContact CG1-CB 4.4Å; V81-L110 HydrophobicContact CG1-CD2 3.97Å; V81-L110 HydrophobicContact CG1-CG 4.46Å; V81-V119 HydrophobicContact CB-CG1 4.42Å; V81-V119 HydrophobicContact CG2-CG1 3.73Å; V81-V119 HydrophobicContact CG2-CG2 4.36Å; V81-S121 PolarHBondContact N-O 2.76Å; V81-F122 HydrophobicContact CB-CD2 3.87Å; V81-F122 HydrophobicContact CB-CE2 4.39Å; V81-F122 HydrophobicContact CG1-CD2 3.76Å; V81-F122 HydrophobicContact CG1-CE2 3.77Å; V81-I123 PolarHBondContact O-N 2.8Å
82F98.9Very high93.5Very high0 Ų038.9 Ų38.90%020%0.203CC..EExtended strand (participates in β ladder)trans-103.8104.1167.6-58-89000108.4L3 C8 V9 V10 T11 L21 L25 T80 I84 I123 H236 A240L3-F82 HydrophobicContact CD1-CE2 4.48Å; L3-F82 HydrophobicContact CD1-CZ 4.02Å; C8-F82 HydrophobicContact CB-CE2 4.19Å; V9-F82 PolarHBondContact O-N 2.84Å; V10-F82 HydrophobicContact CG1-CB 4.4Å; V10-F82 HydrophobicContact CG2-CB 4.29Å; V10-F82 HydrophobicContact CG2-CD2 3.99Å; V10-F82 HydrophobicContact CG2-CG 4.5Å; T11-F82 PolarHBondContact N-O 2.86Å; L21-F82 HydrophobicContact CD2-CB 3.67Å; L21-F82 HydrophobicContact CD2-CD1 3.63Å; L21-F82 HydrophobicContact CD2-CD2 4.3Å; L21-F82 HydrophobicContact CD2-CE1 4.27Å; L21-F82 HydrophobicContact CD2-CG 3.62Å; L25-F82 HydrophobicContact CD1-CD2 4.25Å; L25-F82 HydrophobicContact CD1-CE2 3.87Å; L25-F82 HydrophobicContact CD1-CZ 4.37Å; L25-F82 HydrophobicContact CD2-CE2 4.28Å; L25-F82 HydrophobicContact CD2-CZ 4.13Å; T80-F82 HydrophobicContact CG2-CD2 4.2Å; T80-F82 HydrophobicContact CG2-CE1 4.49Å; T80-F82 HydrophobicContact CG2-CE2 3.66Å; T80-F82 HydrophobicContact CG2-CZ 3.84Å; F82-I84 PolarHBondContact O-N 3.15Å; F82-I123 HydrophobicContact CD1-CB 4.16Å; F82-I123 HydrophobicContact CD1-CD1 4.21Å; F82-I123 HydrophobicContact CD1-CG1 4.38Å; F82-I123 HydrophobicContact CE1-CD1 4.17Å; F82-I123 HydrophobicContact CE1-CG1 4.48Å; F82-H236 HydrophobicContact CD1-CB 4.13Å; F82-H236 HydrophobicContact CE1-CB 4.31Å; F82-H236 WeakPolarHBondContact CE1-O 3.47Å; F82-A240 HydrophobicContact CE1-CB 3.51Å; F82-A240 HydrophobicContact CZ-CB 3.44Å; F82-A240 VanDerWaalsContact CZ-CB 3.44Å
83H98.8Very high92.6Very high0 Ų036.6 Ų36.60%020%0.203CC..EExtended strand (participates in β ladder)trans-93.590.7-177.1-174.333.8000111T11 V81 A85 T107 L110 F122 I123 Y124 T125T11-H83 WeakPolarHBondContact OG1-CA 3.37Å; T11-H83 PolarHBondContact OG1-ND1 2.95Å; V81-H83 HydrophobicContact CG1-CB 4.4Å; H83-A85 PolarHBondContact CE1-O 2.96Å; H83-T107 PolarHBondContact CD2-OG1 3.26Å; H83-T107 PolarHBondContact NE2-OG1 3.45Å; H83-L110 HydrophobicContact CB-CD2 3.92Å; H83-L110 WeakPolarHBondContact ND1-CD2 3.48Å; H83-F122 HydrophobicContact CB-CE1 4Å; H83-F122 HydrophobicContact CB-CE2 4.08Å; H83-F122 HydrophobicContact CB-CZ 3.55Å; H83-F122 AromaticContact CD2-CZ 3.68Å; H83-F122 AromaticContact CG-CZ 3.84Å; H83-I123 PolarHBondContact N-O 2.85Å; H83-Y124 HydrophobicContact CB-CD2 4.35Å; H83-Y124 AromaticContact CD2-CD2 3.43Å; H83-Y124 VanDerWaalsContact CD2-CD2 3.43Å; H83-Y124 WeakPolarHBondContact CD2-CD2 3.12Å; H83-Y124 AromaticContact CD2-CE2 3.58Å; H83-Y124 AromaticContact NE2-CE2 3.99Å; H83-T125 PolarHBondContact O-N 3.03Å; H83-T125 PolarHBondContact O-OG1 2.77Å
84I98.5Very high92Very high22 Ų2232.8 Ų32.811%0.11319%0.188CC..  trans-101.8-24.2178.3-58.6161.9000111.6V10 T11 L17 L21 F82 S86 T125V10-I84 HydrophobicContact CG1-CD1 4.01Å; T11-I84 VanDerWaalsContact O-CB 3.3Å; T11-I84 WeakPolarHBondContact O-CB 3.37Å; T11-I84 PolarHBondContact O-N 3.24Å; T11-I84 PolarHBondContact OG1-N 3.03Å; L17-I84 HydrophobicContact CB-CG2 4.07Å; L17-I84 HydrophobicContact CD2-CD1 4.31Å; L17-I84 HydrophobicContact CD2-CG1 4.27Å; L17-I84 HydrophobicContact CD2-CG2 4.05Å; L17-I84 HydrophobicContact CG-CD1 4.11Å; L17-I84 HydrophobicContact CG-CG2 4.27Å; L21-I84 HydrophobicContact CB-CD1 4.27Å; L21-I84 HydrophobicContact CD2-CD1 3.62Å; F82-I84 PolarHBondContact O-N 3.15Å; I84-S86 PolarHBondContact O-N 3.41Å; I84-T125 VanDerWaalsContact CG1-OG1 3.29Å; I84-T125 WeakPolarHBondContact CG1-OG1 3.46Å
85A97.2Very high91.4Very high17 Ų1736.2 Ų36.214%0.1420%0.204CC..  trans-51.4122.1-179.200000112T11 I65 H83T11-A85 PolarHBondContact O-N 3.46Å; T11-A85 VanDerWaalsContact O-N 3.11Å; T11-A85 WeakPolarHBondContact OG1-CB 3.38Å; T11-A85 PolarHBondContact OG1-N 2.93Å; I65-A85 HydrophobicContact CD1-CB 4.17Å; I65-A85 HydrophobicContact CG2-CB 4.47Å; H83-A85 PolarHBondContact CE1-O 2.96Å
86S95.1Very high91Very high35 Ų3540.4 Ų40.425%0.24522%0.22CC..  trans-162.2147.2179.8-171.50000110.8I84 N103I84-S86 PolarHBondContact O-N 3.41Å; S86-N103 VanDerWaalsContact CA-OD1 3.23Å; S86-N103 WeakPolarHBondContact CA-OD1 3.46Å; S86-N103 PolarHBondContact OG-OD1 2.86Å
87L93.2Very high90.8Very high31 Ų3137.2 Ų37.216%0.16222%0.221CC..  trans-89.6124.8163.3-66.2176.4000109.2M94 E98 V102 N103 Y157L87-M94 HydrophobicContact CB-CE 4.47Å; L87-M94 HydrophobicContact CB-SD 4.4Å; L87-M94 HydrophobicContact CD1-CE 3.67Å; L87-M94 HydrophobicContact CD2-CE 4.13Å; L87-M94 HydrophobicContact CG-CE 4.3Å; L87-E98 HydrophobicContact CD1-CG 3.88Å; L87-V102 HydrophobicContact CD1-CB 3.83Å; L87-V102 HydrophobicContact CD1-CG1 4.4Å; L87-V102 HydrophobicContact CD1-CG2 3.57Å; L87-V102 HydrophobicContact CG-CB 4Å; L87-V102 HydrophobicContact CG-CG1 4.05Å; L87-V102 HydrophobicContact CG-CG2 4.09Å; L87-N103 PolarHBondContact N-OD1 3.04Å; L87-N103 PolarHBondContact O-ND2 2.92Å; L87-Y157 VanDerWaalsContact O-CD2 3.31Å; L87-Y157 WeakPolarHBondContact O-CD2 3.35Å; L87-Y157 WeakPolarHBondContact O-CE2 3.44Å
88I89.3Confident90.6Very high87 Ų8737.4 Ų37.445%0.44621%0.206SC..  trans-112.2124.3178.3-52.3179.4000108.1V90 Y157 F199I88-V90 HydrophobicContact CG2-CG1 4.42Å; I88-Y157 HydrophobicContact CB-CD2 4.47Å; I88-Y157 HydrophobicContact CB-CE2 4.1Å; I88-Y157 HydrophobicContact CG1-CE2 3.71Å; I88-Y157 HydrophobicContact CG2-CD1 4.46Å; I88-Y157 HydrophobicContact CG2-CD2 4.42Å; I88-Y157 HydrophobicContact CG2-CE1 4.2Å; I88-Y157 HydrophobicContact CG2-CE2 4.16Å; I88-F199 HydrophobicContact CG2-CZ 4.32Å
89D83.8Confident90.4Very high8 Ų837.2 Ų37.24%0.04321%0.205CC..  trans-147.7107.9176.1170.834.8000109.9T91 E92 S93 M94 M99D89-T91 PolarHBondContact OD1-N 2.91Å; D89-T91 PolarHBondContact OD1-OG1 3.39Å; D89-E92 PolarHBondContact OD1-N 3.23Å; D89-E92 VanDerWaalsContact OD1-N 3.14Å; D89-E92 WeakPolarHBondContact OD2-CA 3.47Å; D89-E92 PolarHBondContact OD2-N 2.91Å; D89-S93 VanDerWaalsContact CG-N 3.32Å; D89-S93 PolarHBondContact OD1-N 2.95Å; D89-S93 VanDerWaalsContact OD1-N 3.07Å; D89-S93 PolarHBondContact OD1-OG 3.4Å; D89-S93 PolarHBondContact OD2-N 3.08Å; D89-M94 HydrophobicContact CB-CB 4.21Å; D89-M94 HydrophobicContact CB-CG 3.92Å; D89-M94 HydrophobicContact CB-SD 4.09Å; D89-M94 WeakPolarHBondContact OD2-CB 3.41Å; D89-M94 PolarHBondContact OD2-N 3.47Å; D89-M99 HydrophobicContact CB-CE 3.61Å
90V74.9Confident90.4Very high28 Ų2838.6 Ų38.617%0.1721%0.206CC..SBendtrans-96.3-8.9-177.6-61.80000112.5I88 F155 F199I88-V90 HydrophobicContact CG2-CG1 4.42Å; V90-F155 WeakPolarHBondContact O-CE1 3.42Å; V90-F199 HydrophobicContact CG2-CE1 4.37Å
91T73.4Confident90.4Very high42 Ų4239.1 Ų39.126%0.25821%0.212SC..SBendtrans-102.3-2.8179.157.50000112.8D89 S93 V315D89-T91 PolarHBondContact OD1-N 2.91Å; D89-T91 PolarHBondContact OD1-OG1 3.39Å; T91-S93 PolarHBondContact O-N 2.81Å; T91-V315 VanDerWaalsContact O-CG1 3.26Å; T91-V315 WeakPolarHBondContact O-CG1 3.22Å
92E77.7Confident90.3Very high68 Ų6839.7 Ų39.732%0.31822%0.215SC..SBendtrans59.834.7-173.8-56.2-166.4141.700112.8D89D89-E92 PolarHBondContact OD1-N 3.23Å; D89-E92 VanDerWaalsContact OD1-N 3.14Å; D89-E92 WeakPolarHBondContact OD2-CA 3.47Å; D89-E92 PolarHBondContact OD2-N 2.91Å
93S78.7Confident90.3Very high52 Ų5239.8 Ų39.836%0.36422%0.216SC..  trans-74.8-25.3176.263.60000114.4D89 T91 R313D89-S93 VanDerWaalsContact CG-N 3.32Å; D89-S93 PolarHBondContact OD1-N 2.95Å; D89-S93 VanDerWaalsContact OD1-N 3.07Å; D89-S93 PolarHBondContact OD1-OG 3.4Å; D89-S93 PolarHBondContact OD2-N 3.08Å; T91-S93 PolarHBondContact O-N 2.81Å; S93-R313 PolarHBondContact O-NH2 2.91Å
94M84.5Confident90.3Very high57 Ų5739.8 Ų39.828%0.28122%0.216SC..SBendtrans-93.6148.6-177.2-62.7-1687000111.6L87 D89 E98 R313L87-M94 HydrophobicContact CB-CE 4.47Å; L87-M94 HydrophobicContact CB-SD 4.4Å; L87-M94 HydrophobicContact CD1-CE 3.67Å; L87-M94 HydrophobicContact CD2-CE 4.13Å; L87-M94 HydrophobicContact CG-CE 4.3Å; D89-M94 HydrophobicContact CB-CB 4.21Å; D89-M94 HydrophobicContact CB-CG 3.92Å; D89-M94 HydrophobicContact CB-SD 4.09Å; D89-M94 WeakPolarHBondContact OD2-CB 3.41Å; D89-M94 PolarHBondContact OD2-N 3.47Å; M94-E98 HydrophobicContact CE-CG 4.19Å; M94-R313 PolarHBondContact O-NH2 3.09Å
95E86.6Confident90.3Very high72 Ų7242.7 Ų42.734%0.33623%0.228SC..  trans-65.8137.5170.8-74.9-58.5144.600110.4S97 E98 M99 R309 R313E95-S97 PolarHBondContact O-N 2.83Å; E95-E98 PolarHBondContact O-N 3.3Å; E95-M99 PolarHBondContact O-N 3.25Å; E95-R309 IonicContact OE2-NH2 2.82Å; E95-R313 IonicContact OE1-CZ 3.49Å; E95-R313 IonicContact OE1-NE 2.66Å; E95-R313 IonicContact OE1-NH1 3.53Å; E95-R313 PolarHBondContact OE1-NH1 3.27Å; E95-R313 IonicContact OE1-NH2 2.98Å; E95-R313 PolarHBondContact OE1-NH2 3.05Å; E95-R313 VanDerWaalsContact OE1-NH2 3.13Å
96Y89.9Confident90.3Very high87 Ų8741.9 Ų41.934%0.34122%0.221SC..Hα-helixtrans-58.2-37.8179.7177.4-106.6000112.2E98 M99 Y100 N156 T160Y96-E98 VanDerWaalsContact C-N 3.32Å; Y96-E98 PolarHBondContact O-N 2.93Å; Y96-M99 PolarHBondContact O-N 2.69Å; Y96-Y100 HydrophobicContact CE1-CD2 4.13Å; Y96-Y100 HydrophobicContact CE1-CG 4.32Å; Y96-Y100 AromaticContact CZ-CD2 3.86Å; Y96-Y100 VanDerWaalsContact O-CB 3.22Å; Y96-Y100 WeakPolarHBondContact O-CB 3.49Å; Y96-Y100 PolarHBondContact O-N 2.8Å; Y96-Y100 WeakPolarHBondContact OH-CD2 3.44Å; Y96-N156 HydrophobicContact CD2-CB 3.77Å; Y96-N156 WeakPolarHBondContact CD2-OD1 3.21Å; Y96-N156 HydrophobicContact CE2-CB 4.32Å; Y96-T160 HydrophobicContact CE2-CG2 3.81Å
97S93.8Very high90.5Very high85 Ų8540.3 Ų40.359%0.59421%0.21SC*.Hα-helixtrans-60.6-39.3179.752.50000112.8E95 G101E95-S97 PolarHBondContact O-N 2.83Å; S97-G101 PolarHBondContact O-N 3.47Å
98E94.4Very high90.8Very high63 Ų6341.2 Ų41.229%0.29421%0.213SC..Hα-helixtrans-69.1-45.7178.8-175.862.6-173.400110.5R66 L87 M94 E95 Y96 G101 V102R66-E98 IonicContact CZ-OE1 2.87Å; R66-E98 IonicContact CZ-OE2 3.67Å; R66-E98 VanDerWaalsContact NH1-CD 3.29Å; R66-E98 IonicContact NH1-OE1 2.9Å; R66-E98 PolarHBondContact NH1-OE1 2.96Å; R66-E98 IonicContact NH1-OE2 3.56Å; R66-E98 PolarHBondContact NH1-OE2 2.99Å; R66-E98 IonicContact NH2-OE1 3.93Å; R66-E98 PolarHBondContact NH2-OE1 3.21Å; R66-E98 VanDerWaalsContact NH2-OE1 3.17Å; L87-E98 HydrophobicContact CD1-CG 3.88Å; M94-E98 HydrophobicContact CE-CG 4.19Å; E95-E98 PolarHBondContact O-N 3.3Å; Y96-E98 VanDerWaalsContact C-N 3.32Å; Y96-E98 PolarHBondContact O-N 2.93Å; E98-G101 PolarHBondContact O-N 3.31Å; E98-V102 PolarHBondContact O-N 3.2Å
99M94.7Very high91.2Very high1 Ų139.5 Ų39.51%0.00521%0.205CC..Hα-helixtrans-62.7-44.6176.3-172.5-171.8-69.700111.9D89 E95 Y96 G101 V102 N103 N156 Y157 T160D89-M99 HydrophobicContact CB-CE 3.61Å; E95-M99 PolarHBondContact O-N 3.25Å; Y96-M99 PolarHBondContact O-N 2.69Å; M99-G101 VanDerWaalsContact C-N 3.33Å; M99-V102 PolarHBondContact O-N 3.45Å; M99-N103 VanDerWaalsContact CG-ND2 3.35Å; M99-N103 WeakPolarHBondContact CG-ND2 3.36Å; M99-N103 VanDerWaalsContact O-CB 3.22Å; M99-N103 WeakPolarHBondContact O-CB 3.49Å; M99-N103 PolarHBondContact O-N 2.95Å; M99-N156 HydrophobicContact CE-CB 4.27Å; M99-N156 HydrophobicContact SD-CB 3.87Å; M99-Y157 WeakPolarHBondContact SD-CA 3.32Å; M99-Y157 PolarHBondContact SD-N 3.18Å; M99-T160 HydrophobicContact CG-CG2 4.08Å; M99-T160 HydrophobicContact SD-CG2 4.16Å
100Y97.4Very high91.9Very high54 Ų5439.1 Ų39.121%0.21220%0.202CC..Hα-helixtrans-62.5-42.1176.2-174.5-92.3000111.4Y96 V102 V104 K105 T160 E163Y96-Y100 HydrophobicContact CE1-CD2 4.13Å; Y96-Y100 HydrophobicContact CE1-CG 4.32Å; Y96-Y100 AromaticContact CZ-CD2 3.86Å; Y96-Y100 VanDerWaalsContact O-CB 3.22Å; Y96-Y100 WeakPolarHBondContact O-CB 3.49Å; Y96-Y100 PolarHBondContact O-N 2.8Å; Y96-Y100 WeakPolarHBondContact OH-CD2 3.44Å; Y100-V102 PolarHBondContact O-N 3.45Å; Y100-V104 HydrophobicContact CD2-CB 3.98Å; Y100-V104 HydrophobicContact CD2-CG1 4.46Å; Y100-V104 HydrophobicContact CD2-CG2 3.66Å; Y100-V104 HydrophobicContact CE1-CB 4.47Å; Y100-V104 HydrophobicContact CE2-CB 3.84Å; Y100-V104 HydrophobicContact CE2-CG1 3.82Å; Y100-V104 HydrophobicContact CE2-CG2 3.77Å; Y100-V104 HydrophobicContact CG-CB 4.33Å; Y100-V104 HydrophobicContact CG-CG2 4.32Å; Y100-V104 WeakPolarHBondContact O-CA 3.48Å; Y100-V104 VanDerWaalsContact O-CB 3.31Å; Y100-V104 WeakPolarHBondContact O-CB 3.46Å; Y100-V104 PolarHBondContact O-N 3.35Å; Y100-K105 HydrophobicContact CD1-CG 4.08Å; Y100-K105 HydrophobicContact CE1-CD 4.16Å; Y100-K105 HydrophobicContact CE1-CG 3.75Å; Y100-K105 PolarHBondContact O-N 3.06Å; Y100-T160 HydrophobicContact CD2-CG2 4.28Å; Y100-E163 WeakPolarHBondContact CE2-OE2 3.06Å; Y100-E163 PolarHBondContact OH-OE1 3.26Å
101G97.9Very high93.1Very high12 Ų1238.2 Ų38.212%0.12420%0.197CC..Iπ-helixtrans-57.2-46.7176.300000112.4R66 S97 E98 M99 K105 G106R66-G101 WeakPolarHBondContact CG-O 3.45Å; S97-G101 PolarHBondContact O-N 3.47Å; E98-G101 PolarHBondContact O-N 3.31Å; M99-G101 VanDerWaalsContact C-N 3.33Å; G101-K105 WeakPolarHBondContact O-CB 3.49Å; G101-G106 PolarHBondContact O-N 3.32Å
102V97.4Very high94.3Very high13 Ų1339.7 Ų39.78%0.07920%0.201CC..Iπ-helixtrans-79.2-56.5179.9178.60000111.6I65 L87 E98 M99 Y100 V104 G106I65-V102 HydrophobicContact CD1-CG1 3.9Å; I65-V102 WeakPolarHBondContact CD1-O 3.39Å; I65-V102 HydrophobicContact CG1-CG1 4.34Å; L87-V102 HydrophobicContact CD1-CB 3.83Å; L87-V102 HydrophobicContact CD1-CG1 4.4Å; L87-V102 HydrophobicContact CD1-CG2 3.57Å; L87-V102 HydrophobicContact CG-CB 4Å; L87-V102 HydrophobicContact CG-CG1 4.05Å; L87-V102 HydrophobicContact CG-CG2 4.09Å; E98-V102 PolarHBondContact O-N 3.2Å; M99-V102 PolarHBondContact O-N 3.45Å; Y100-V102 PolarHBondContact O-N 3.45Å; V102-V104 PolarHBondContact O-N 2.84Å; V102-G106 WeakPolarHBondContact O-CA 3.25Å; V102-G106 PolarHBondContact O-N 3.42Å
103N98.3Very high95.3Very high1 Ų136.6 Ų36.61%0.00519%0.187CC..Iπ-helixtrans-72.6-29.7-170-70.5-10.1000113.6S86 L87 M99 T107 T160 A164S86-N103 VanDerWaalsContact CA-OD1 3.23Å; S86-N103 WeakPolarHBondContact CA-OD1 3.46Å; S86-N103 PolarHBondContact OG-OD1 2.86Å; L87-N103 PolarHBondContact N-OD1 3.04Å; L87-N103 PolarHBondContact O-ND2 2.92Å; M99-N103 VanDerWaalsContact CG-ND2 3.35Å; M99-N103 WeakPolarHBondContact CG-ND2 3.36Å; M99-N103 VanDerWaalsContact O-CB 3.22Å; M99-N103 WeakPolarHBondContact O-CB 3.49Å; M99-N103 PolarHBondContact O-N 2.95Å; N103-T107 PolarHBondContact O-OG1 3.45Å; N103-T160 PolarHBondContact ND2-OG1 2.66Å; N103-A164 WeakPolarHBondContact O-CB 3.49Å
104V98.6Very high96.2Very high0 Ų034.1 Ų34.10%017%0.17CC..Iπ-helixtrans-107.9-57.2-176.9-174.60000110.9Y100 V102 T107 Q108 T160 E163Y100-V104 HydrophobicContact CD2-CB 3.98Å; Y100-V104 HydrophobicContact CD2-CG1 4.46Å; Y100-V104 HydrophobicContact CD2-CG2 3.66Å; Y100-V104 HydrophobicContact CE1-CB 4.47Å; Y100-V104 HydrophobicContact CE2-CB 3.84Å; Y100-V104 HydrophobicContact CE2-CG1 3.82Å; Y100-V104 HydrophobicContact CE2-CG2 3.77Å; Y100-V104 HydrophobicContact CG-CB 4.33Å; Y100-V104 HydrophobicContact CG-CG2 4.32Å; Y100-V104 WeakPolarHBondContact O-CA 3.48Å; Y100-V104 VanDerWaalsContact O-CB 3.31Å; Y100-V104 WeakPolarHBondContact O-CB 3.46Å; Y100-V104 PolarHBondContact O-N 3.35Å; V102-V104 PolarHBondContact O-N 2.84Å; V104-T107 PolarHBondContact O-N 3.16Å; V104-Q108 WeakPolarHBondContact O-CB 3.48Å; V104-Q108 PolarHBondContact O-N 3.06Å; V104-T160 HydrophobicContact CG2-CG2 3.99Å; V104-T160 WeakPolarHBondContact CG2-O 3.39Å; V104-E163 HydrophobicContact CG1-CB 4.48Å; V104-E163 HydrophobicContact CG1-CG 3.95Å; V104-E163 WeakPolarHBondContact CG1-OE1 3.48Å; V104-E163 HydrophobicContact CG2-CB 4.36Å
105K98.6Very high96.9Very high84 Ų8433.1 Ų33.137%0.36517%0.165SC..Iπ-helixtrans-70-40.4-177.4-66.8-58.9-172.6175.20112.3Y100 G101 T107 Q108 L109Y100-K105 HydrophobicContact CD1-CG 4.08Å; Y100-K105 HydrophobicContact CE1-CD 4.16Å; Y100-K105 HydrophobicContact CE1-CG 3.75Å; Y100-K105 PolarHBondContact O-N 3.06Å; G101-K105 WeakPolarHBondContact O-CB 3.49Å; K105-T107 PolarHBondContact O-N 3.47Å; K105-Q108 WeakPolarHBondContact O-CB 3.47Å; K105-Q108 PolarHBondContact O-N 2.72Å; K105-L109 WeakPolarHBondContact O-CG 3.49Å; K105-L109 PolarHBondContact O-N 2.96Å
106G98.6Very high97.4Very high0 Ų033.4 Ų33.40%017%0.166CC..Iπ-helixtrans-58.7-45.9172.100000112.5I65 G101 V102 Q108 L109 L110I65-G106 WeakPolarHBondContact O-CA 3.32Å; G101-G106 PolarHBondContact O-N 3.32Å; V102-G106 WeakPolarHBondContact O-CA 3.25Å; V102-G106 PolarHBondContact O-N 3.42Å; G106-Q108 PolarHBondContact O-N 2.8Å; G106-L109 PolarHBondContact O-N 2.93Å; G106-L110 WeakPolarHBondContact O-CB 3.26Å; G106-L110 PolarHBondContact O-N 3.49Å
107T98.8Very high97.9Very high1 Ų130.4 Ų30.41%0.00616%0.155CC..Hα-helixtrans-61.5-43.1174.5-56.10000112.2H83 N103 V104 K105 L110 L111 F122 Y124 A164H83-T107 PolarHBondContact CD2-OG1 3.26Å; H83-T107 PolarHBondContact NE2-OG1 3.45Å; N103-T107 PolarHBondContact O-OG1 3.45Å; V104-T107 PolarHBondContact O-N 3.16Å; K105-T107 PolarHBondContact O-N 3.47Å; T107-L110 PolarHBondContact O-N 3.32Å; T107-L111 HydrophobicContact CG2-CD1 4.19Å; T107-L111 WeakPolarHBondContact O-CG 3.34Å; T107-L111 PolarHBondContact O-N 2.69Å; T107-F122 HydrophobicContact CG2-CZ 4.47Å; T107-Y124 HydrophobicContact CG2-CD2 4.38Å; T107-Y124 HydrophobicContact CG2-CE2 4.11Å; T107-A164 HydrophobicContact CG2-CB 4.19Å
108Q98.8Very high98.1Very high51 Ų5128.5 Ų28.524%0.23814%0.139CC..Hα-helixtrans-58.2-50.5176.4-178.7-172.4-17.500111.2V104 K105 G106 L110 L111 E112V104-Q108 WeakPolarHBondContact O-CB 3.48Å; V104-Q108 PolarHBondContact O-N 3.06Å; K105-Q108 WeakPolarHBondContact O-CB 3.47Å; K105-Q108 PolarHBondContact O-N 2.72Å; G106-Q108 PolarHBondContact O-N 2.8Å; Q108-L110 VanDerWaalsContact C-N 3.26Å; Q108-L110 PolarHBondContact O-N 3.25Å; Q108-L111 PolarHBondContact O-N 2.9Å; Q108-E112 VanDerWaalsContact CG-OE1 3.28Å; Q108-E112 WeakPolarHBondContact CG-OE1 3.24Å; Q108-E112 PolarHBondContact NE2-OE1 3.43Å; Q108-E112 WeakPolarHBondContact O-CG 3.47Å; Q108-E112 PolarHBondContact O-N 3.12Å
109L98.8Very high98.3Very high50 Ų5025.5 Ų25.526%0.26213%0.125SC..Hα-helixtrans-62.2-36.1179.2-70169.2000111.9R66 L71 K105 G106 E112 A113R66-L109 WeakPolarHBondContact O-CD1 3.47Å; L71-L109 HydrophobicContact CD1-CB 3.87Å; K105-L109 WeakPolarHBondContact O-CG 3.49Å; K105-L109 PolarHBondContact O-N 2.96Å; G106-L109 PolarHBondContact O-N 2.93Å; L109-E112 PolarHBondContact O-N 3.43Å; L109-A113 VanDerWaalsContact O-CB 3.29Å; L109-A113 WeakPolarHBondContact O-CB 3.43Å; L109-A113 PolarHBondContact O-N 2.93Å
110L98.7Very high98.4Very high0 Ų027.9 Ų27.90%014%0.139CC..Hα-helixtrans-66.5-41.6176.8-163.570.9000112.2T11 L71 L75 V81 H83 G106 T107 Q108 A113 C114 F122T11-L110 HydrophobicContact CG2-CD1 4.26Å; T11-L110 HydrophobicContact CG2-CD2 3.73Å; L71-L110 HydrophobicContact CD1-CB 4.14Å; L71-L110 HydrophobicContact CD1-CD1 3.91Å; L71-L110 HydrophobicContact CD2-CD1 3.48Å; L71-L110 VanDerWaalsContact CD2-CD1 3.48Å; L71-L110 HydrophobicContact CG-CD1 4.19Å; L75-L110 HydrophobicContact CD1-CD1 3.92Å; V81-L110 HydrophobicContact CG1-CD2 3.97Å; V81-L110 HydrophobicContact CG1-CG 4.46Å; H83-L110 HydrophobicContact CB-CD2 3.92Å; H83-L110 WeakPolarHBondContact ND1-CD2 3.48Å; G106-L110 WeakPolarHBondContact O-CB 3.26Å; G106-L110 PolarHBondContact O-N 3.49Å; T107-L110 PolarHBondContact O-N 3.32Å; Q108-L110 VanDerWaalsContact C-N 3.26Å; Q108-L110 PolarHBondContact O-N 3.25Å; L110-A113 PolarHBondContact O-N 2.75Å; L110-C114 WeakPolarHBondContact O-CB 3.39Å; L110-C114 PolarHBondContact O-N 2.87Å; L110-C114 PolarHBondContact O-SG 3.26Å; L110-F122 HydrophobicContact CB-CE2 4.36Å; L110-F122 HydrophobicContact CD2-CE2 3.63Å; L110-F122 HydrophobicContact CD2-CZ 3.97Å; L110-F122 HydrophobicContact CG-CE2 3.85Å; L110-F122 HydrophobicContact CG-CZ 4.49Å
111L98.8Very high98.5Very high10 Ų1025.4 Ų25.45%0.05213%0.129CC..Hα-helixtrans-63.4-45173.5-70.5165.4000111.4T107 Q108 A113 C114 I115 F122 R167 A171 L182 T184T107-L111 HydrophobicContact CG2-CD1 4.19Å; T107-L111 WeakPolarHBondContact O-CG 3.34Å; T107-L111 PolarHBondContact O-N 2.69Å; Q108-L111 PolarHBondContact O-N 2.9Å; L111-A113 VanDerWaalsContact C-N 3.34Å; L111-A113 PolarHBondContact O-N 2.7Å; L111-C114 WeakPolarHBondContact O-CB 3.41Å; L111-C114 PolarHBondContact O-N 3.22Å; L111-I115 WeakPolarHBondContact O-CG1 3.42Å; L111-I115 PolarHBondContact O-N 3.08Å; L111-I115 VanDerWaalsContact O-N 3.08Å; L111-F122 HydrophobicContact CD2-CD1 3.78Å; L111-F122 HydrophobicContact CD2-CD2 4.01Å; L111-F122 HydrophobicContact CD2-CE1 3.74Å; L111-F122 HydrophobicContact CD2-CE2 3.98Å; L111-F122 HydrophobicContact CD2-CG 3.9Å; L111-F122 HydrophobicContact CD2-CZ 3.83Å; L111-F122 HydrophobicContact CG-CE1 4.36Å; L111-F122 HydrophobicContact CG-CE2 4.38Å; L111-F122 HydrophobicContact CG-CZ 4.11Å; L111-R167 HydrophobicContact CD1-CB 4.31Å; L111-A171 HydrophobicContact CD1-CB 4.32Å; L111-A171 HydrophobicContact CD2-CB 4.08Å; L111-L182 HydrophobicContact CD2-CD2 4.39Å; L111-T184 HydrophobicContact CD2-CG2 4.46Å
112E98.6Very high98.5Very high73 Ų7324.8 Ų24.834%0.34112%0.123SC..Hα-helixtrans-59.6-44.8176.1-71.4169.4-166.700111.3Q108 L109 C114 I115 Q116Q108-E112 VanDerWaalsContact CG-OE1 3.28Å; Q108-E112 WeakPolarHBondContact CG-OE1 3.24Å; Q108-E112 PolarHBondContact NE2-OE1 3.43Å; Q108-E112 WeakPolarHBondContact O-CG 3.47Å; Q108-E112 PolarHBondContact O-N 3.12Å; L109-E112 PolarHBondContact O-N 3.43Å; E112-C114 VanDerWaalsContact C-N 3.35Å; E112-C114 PolarHBondContact O-N 2.99Å; E112-I115 PolarHBondContact O-N 3.49Å; E112-Q116 VanDerWaalsContact O-CG 3.3Å; E112-Q116 WeakPolarHBondContact O-CG 3.49Å; E112-Q116 PolarHBondContact O-N 3.35Å
113A98.7Very high98.6Very high3 Ų324.2 Ų24.23%0.02512%0.12CC..Hα-helixtrans-67.6-33.6177.100000112.4L71 R72 L75 L109 L110 L111 I115 Q116 E117L71-A113 HydrophobicContact CB-CB 4Å; R72-A113 HydrophobicContact CG-CB 4.29Å; L75-A113 HydrophobicContact CD1-CB 3.42Å; L75-A113 VanDerWaalsContact CD1-CB 3.42Å; L109-A113 VanDerWaalsContact O-CB 3.29Å; L109-A113 WeakPolarHBondContact O-CB 3.43Å; L109-A113 PolarHBondContact O-N 2.93Å; L110-A113 PolarHBondContact O-N 2.75Å; L111-A113 VanDerWaalsContact C-N 3.34Å; L111-A113 PolarHBondContact O-N 2.7Å; A113-I115 VanDerWaalsContact C-N 3.33Å; A113-I115 PolarHBondContact O-N 3.02Å; A113-Q116 PolarHBondContact O-N 3.14Å; A113-E117 WeakPolarHBondContact O-CB 3.4Å; A113-E117 WeakPolarHBondContact O-CG 3.45Å; A113-E117 PolarHBondContact O-N 2.8Å
114C98.8Very high98.6Very high0 Ų024.1 Ų24.10%012%0.119CC..Hα-helixtrans-59.5-44.8171.6-73.70000111.5L110 L111 E112 N118 V119 L182L110-C114 WeakPolarHBondContact O-CB 3.39Å; L110-C114 PolarHBondContact O-N 2.87Å; L110-C114 PolarHBondContact O-SG 3.26Å; L111-C114 WeakPolarHBondContact O-CB 3.41Å; L111-C114 PolarHBondContact O-N 3.22Å; E112-C114 VanDerWaalsContact C-N 3.35Å; E112-C114 PolarHBondContact O-N 2.99Å; C114-N118 PolarHBondContact O-N 3.38Å; C114-V119 HydrophobicContact CB-CB 3.79Å; C114-V119 HydrophobicContact CB-CG1 4.33Å; C114-V119 HydrophobicContact CB-CG2 4.23Å; C114-V119 PolarHBondContact O-N 2.8Å; C114-L182 HydrophobicContact CB-CD1 4.43Å
115I98.6Very high98.7Very high35 Ų3524.7 Ų24.718%0.17912%0.123CC..Hα-helixtrans-63.7-45.6177.6-66165.5000110.6L111 E112 A113 E174 L182L111-I115 WeakPolarHBondContact O-CG1 3.42Å; L111-I115 PolarHBondContact O-N 3.08Å; L111-I115 VanDerWaalsContact O-N 3.08Å; E112-I115 PolarHBondContact O-N 3.49Å; A113-I115 VanDerWaalsContact C-N 3.33Å; A113-I115 PolarHBondContact O-N 3.02Å; I115-E174 HydrophobicContact CD1-CB 3.95Å; I115-E174 HydrophobicContact CD1-CG 4.19Å; I115-E174 HydrophobicContact CG1-CB 4.34Å; I115-L182 HydrophobicContact CG1-CD2 4.16Å
116Q98.3Very high98.6Very high79 Ų7920.8 Ų20.837%0.36911%0.106SC..Hα-helixtrans-65.6-37.3-179-70.3170.78.200113.2E112 A113 Q177E112-Q116 VanDerWaalsContact O-CG 3.3Å; E112-Q116 WeakPolarHBondContact O-CG 3.49Å; E112-Q116 PolarHBondContact O-N 3.35Å; A113-Q116 PolarHBondContact O-N 3.14Å; Q116-Q177 WeakPolarHBondContact O-CG 3.46Å
117E98.6Very high98.5Very high23 Ų2321.4 Ų21.411%0.10711%0.11CC..THydrogen-bonded Turntrans-10010.5-176.7-56.6-62.3141.900113.2R72 L75 R76 A113 V119R72-E117 HydrophobicContact CB-CG 4.4Å; R72-E117 IonicContact CZ-OE1 3.23Å; R72-E117 IonicContact NE-OE1 3.3Å; R72-E117 PolarHBondContact NE-OE1 2.59Å; R72-E117 IonicContact NH2-OE1 2.85Å; R72-E117 PolarHBondContact NH2-OE1 2.95Å; L75-E117 HydrophobicContact CB-CB 4.09Å; L75-E117 HydrophobicContact CB-CG 4.2Å; R76-E117 IonicContact NE-OE2 3.05Å; A113-E117 WeakPolarHBondContact O-CB 3.4Å; A113-E117 WeakPolarHBondContact O-CG 3.45Å; A113-E117 PolarHBondContact O-N 2.8Å; E117-V119 PolarHBondContact O-N 2.84Å
118N98.5Very high98.3Very high46 Ų4622.3 Ų22.325%0.24612%0.116CC..THydrogen-bonded Turntrans62.633.6175.3-53.4-74.6000115.5C114 V120 Q177 N178C114-N118 PolarHBondContact O-N 3.38Å; N118-V120 PolarHBondContact O-N 2.78Å; N118-Q177 WeakPolarHBondContact OD1-CA 3.45Å; N118-Q177 WeakPolarHBondContact OD1-CB 3.16Å; N118-Q177 PolarHBondContact OD1-N 3.28Å; N118-N178 VanDerWaalsContact OD1-CG 3.31Å; N118-N178 PolarHBondContact OD1-N 3.45Å; N118-N178 PolarHBondContact OD1-OD1 3.43Å
119V98.6Very high98Very high0 Ų021.1 Ų21.10%011%0.11CC..  trans-67.3130.6171.2177.70000108.8L75 A78 S79 V81 C114 E117 L176 L182L75-V119 HydrophobicContact CB-CG2 4.3Å; L75-V119 HydrophobicContact CD2-CG2 4.05Å; A78-V119 HydrophobicContact CB-CG2 4.17Å; S79-V119 WeakPolarHBondContact O-CG1 3.43Å; V81-V119 HydrophobicContact CB-CG1 4.42Å; V81-V119 HydrophobicContact CG2-CG1 3.73Å; V81-V119 HydrophobicContact CG2-CG2 4.36Å; C114-V119 HydrophobicContact CB-CB 3.79Å; C114-V119 HydrophobicContact CB-CG1 4.33Å; C114-V119 HydrophobicContact CB-CG2 4.23Å; C114-V119 PolarHBondContact O-N 2.8Å; E117-V119 PolarHBondContact O-N 2.84Å; V119-L176 WeakPolarHBondContact O-CD2 3.33Å; V119-L182 WeakPolarHBondContact O-CD1 3.41Å
120V98Very high97.7Very high51 Ų5118.9 Ų18.931%0.30910%0.098SC..  trans-95.2-25.3-174.3-64.90000113.1S79 N118 L176 S183 R249S79-V120 WeakPolarHBondContact O-CG2 3.43Å; S79-V120 PolarHBondContact O-N 2.91Å; S79-V120 VanDerWaalsContact O-N 3.08Å; N118-V120 PolarHBondContact O-N 2.78Å; V120-L176 HydrophobicContact CG1-CD1 3.81Å; V120-S183 PolarHBondContact O-N 2.92Å; V120-R249 PolarHBondContact O-NH1 3.03Å; V120-R249 PolarHBondContact O-NH2 2.99Å
121S98.6Very high97.4Very high1 Ų119.5 Ų19.51%0.00710%0.101CC..EExtended strand (participates in β ladder)trans-130.3127.8-174.7-62.70000111.5S79 T80 V81 S183 R249S79-S121 PolarHBondContact O-N 3.44Å; T80-S121 CarbonylContact C-O 3.6Å; T80-S121 WeakPolarHBondContact CA-O 3.49Å; V81-S121 PolarHBondContact N-O 2.76Å; S121-S183 WeakPolarHBondContact CA-O 3.31Å; S121-R249 PolarHBondContact OG-NH1 3.31Å
122F98.9Very high96.3Very high0 Ų019.3 Ų19.30%010%0.102CC..EExtended strand (participates in β ladder)trans-128.8118.2178.3-172.2-85.2000111.1V81 H83 T107 L110 L111 Y124 T168 L182 S183 T184 C185V81-F122 HydrophobicContact CB-CD2 3.87Å; V81-F122 HydrophobicContact CB-CE2 4.39Å; V81-F122 HydrophobicContact CG1-CD2 3.76Å; V81-F122 HydrophobicContact CG1-CE2 3.77Å; H83-F122 HydrophobicContact CB-CE1 4Å; H83-F122 HydrophobicContact CB-CE2 4.08Å; H83-F122 HydrophobicContact CB-CZ 3.55Å; H83-F122 AromaticContact CD2-CZ 3.68Å; H83-F122 AromaticContact CG-CZ 3.84Å; T107-F122 HydrophobicContact CG2-CZ 4.47Å; L110-F122 HydrophobicContact CB-CE2 4.36Å; L110-F122 HydrophobicContact CD2-CE2 3.63Å; L110-F122 HydrophobicContact CD2-CZ 3.97Å; L110-F122 HydrophobicContact CG-CE2 3.85Å; L110-F122 HydrophobicContact CG-CZ 4.49Å; L111-F122 HydrophobicContact CD2-CD1 3.78Å; L111-F122 HydrophobicContact CD2-CD2 4.01Å; L111-F122 HydrophobicContact CD2-CE1 3.74Å; L111-F122 HydrophobicContact CD2-CE2 3.98Å; L111-F122 HydrophobicContact CD2-CG 3.9Å; L111-F122 HydrophobicContact CD2-CZ 3.83Å; L111-F122 HydrophobicContact CG-CE1 4.36Å; L111-F122 HydrophobicContact CG-CE2 4.38Å; L111-F122 HydrophobicContact CG-CZ 4.11Å; F122-Y124 HydrophobicContact CE1-CD2 4.45Å; F122-T168 HydrophobicContact CD1-CG2 3.72Å; F122-T168 HydrophobicContact CE1-CG2 3.82Å; F122-L182 HydrophobicContact CB-CD1 4.2Å; F122-S183 PolarHBondContact N-O 3.44Å; F122-T184 HydrophobicContact CB-CG2 4.04Å; F122-T184 CarbonylContact O-C 3.58Å; F122-T184 VanDerWaalsContact O-CA 3.22Å; F122-T184 WeakPolarHBondContact O-CA 3.41Å; F122-C185 PolarHBondContact O-N 3.38Å
123I98.9Very high95.5Very high0 Ų016.6 Ų16.60%09%0.091CC..EExtended strand (participates in β ladder)trans-111.6115.9-178.6-58.283.3000107.9T80 V81 F82 H83 L187 A239 A240 L243T80-I123 HydrophobicContact CG2-CD1 3.72Å; V81-I123 PolarHBondContact O-N 2.8Å; F82-I123 HydrophobicContact CD1-CB 4.16Å; F82-I123 HydrophobicContact CD1-CD1 4.21Å; F82-I123 HydrophobicContact CD1-CG1 4.38Å; F82-I123 HydrophobicContact CE1-CD1 4.17Å; F82-I123 HydrophobicContact CE1-CG1 4.48Å; H83-I123 PolarHBondContact N-O 2.85Å; I123-L187 HydrophobicContact CG2-CD1 3.68Å; I123-L187 HydrophobicContact CG2-CG 4.13Å; I123-A239 HydrophobicContact CG1-CB 4.24Å; I123-A239 HydrophobicContact CG2-CB 4.17Å; I123-A240 HydrophobicContact CD1-CB 3.84Å; I123-A240 HydrophobicContact CG1-CB 4.41Å; I123-L243 HydrophobicContact CD1-CD1 4.07Å; I123-L243 HydrophobicContact CG1-CD1 4.01Å
124Y98.9Very high94.7Very high0 Ų016.6 Ų16.60%09%0.09CC..EExtended strand (participates in β ladder)trans-98.7130179.9-178.6-114.6000112.2H83 T107 F122 S126 K161 A164 E165 T168 C185 A186 L187H83-Y124 HydrophobicContact CB-CD2 4.35Å; H83-Y124 AromaticContact CD2-CD2 3.43Å; H83-Y124 VanDerWaalsContact CD2-CD2 3.43Å; H83-Y124 WeakPolarHBondContact CD2-CD2 3.12Å; H83-Y124 AromaticContact CD2-CE2 3.58Å; H83-Y124 AromaticContact NE2-CE2 3.99Å; T107-Y124 HydrophobicContact CG2-CD2 4.38Å; T107-Y124 HydrophobicContact CG2-CE2 4.11Å; F122-Y124 HydrophobicContact CE1-CD2 4.45Å; Y124-S126 PolarHBondContact O-N 3.09Å; Y124-K161 VanDerWaalsContact CZ-NZ 3.3Å; Y124-K161 WeakPolarHBondContact OH-CE 3.41Å; Y124-K161 PolarHBondContact OH-NZ 2.91Å; Y124-A164 HydrophobicContact CE2-CB 4.35Å; Y124-A164 WeakPolarHBondContact OH-CB 3.26Å; Y124-E165 HydrophobicContact CD1-CB 4.2Å; Y124-E165 HydrophobicContact CE1-CB 3.9Å; Y124-T168 HydrophobicContact CG-CG2 4.48Å; Y124-C185 PolarHBondContact N-O 3.24Å; Y124-A186 HydrophobicContact CD1-CB 4.15Å; Y124-A186 CarbonylContact O-C 3.5Å; Y124-A186 WeakPolarHBondContact O-CA 3.3Å; Y124-L187 PolarHBondContact O-N 3.38Å
125T98.8Very high93.5Very high11 Ų1120.4 Ų20.47%0.06712%0.115CC..EExtended strand (participates in β ladder)trans-85.4103169-44.70000109.8L17 H83 I84 K161 P189 H236L17-T125 HydrophobicContact CD2-CG2 3.9Å; H83-T125 PolarHBondContact O-N 3.03Å; H83-T125 PolarHBondContact O-OG1 2.77Å; I84-T125 VanDerWaalsContact CG1-OG1 3.29Å; I84-T125 WeakPolarHBondContact CG1-OG1 3.46Å; T125-K161 VanDerWaalsContact O-CE 3.31Å; T125-K161 WeakPolarHBondContact O-CE 3.16Å; T125-K161 PolarHBondContact O-NZ 2.91Å; T125-P189 HydrophobicContact CG2-CG 4.2Å; T125-H236 PolarHBondContact OG1-NE2 2.63Å
126S98.1Very high92.6Very high3 Ų326.8 Ų26.82%0.02114%0.136CC..  trans-88.3-153.2170.1-167.60000110.9Y124 E165 L187 P189Y124-S126 PolarHBondContact O-N 3.09Å; S126-E165 WeakPolarHBondContact CB-OE2 3.48Å; S126-E165 PolarHBondContact OG-OE2 2.8Å; S126-L187 CarbonylContact C-O 3.5Å; S126-L187 VanDerWaalsContact CA-O 3.31Å; S126-L187 WeakPolarHBondContact CA-O 3.35Å; S126-L187 WeakPolarHBondContact CB-O 3.29Å; S126-L187 PolarHBondContact N-O 2.79Å; S126-P189 WeakPolarHBondContact O-CD 3.24Å
127T96.4Very high91.8Very high13 Ų1324.4 Ų24.48%0.0813%0.133CC..  trans-156.5153.7179173.10000110.1E129 V130 Y157 K161T127-E129 HydrophobicContact CG2-CB 3.88Å; T127-E129 PolarHBondContact O-N 3.38Å; T127-E129 PolarHBondContact OG1-N 2.89Å; T127-E129 VanDerWaalsContact OG1-N 3.17Å; T127-V130 HydrophobicContact CG2-CG1 3.86Å; T127-V130 WeakPolarHBondContact O-CG1 3.44Å; T127-V130 VanDerWaalsContact O-CG2 3.25Å; T127-V130 WeakPolarHBondContact O-CG2 3.32Å; T127-V130 PolarHBondContact O-N 3.43Å; T127-Y157 HydrophobicContact CG2-CE1 3.87Å; T127-K161 HydrophobicContact CG2-CB 3.95Å; T127-K161 HydrophobicContact CG2-CG 3.97Å
128V94.4Very high91.4Very high20 Ų2026.5 Ų26.512%0.12114%0.143CC..G310 helixtrans-62.7-20.4169.4-67.90000113.7V130 M131 P189 T190 Y258 F332V128-V130 PolarHBondContact O-N 3.06Å; V128-V130 VanDerWaalsContact O-N 3.08Å; V128-M131 WeakPolarHBondContact O-CB 3.27Å; V128-M131 PolarHBondContact O-N 2.93Å; V128-P189 PolarHBondContact N-O 3.36Å; V128-T190 HydrophobicContact CG1-CG2 3.81Å; V128-Y258 HydrophobicContact CG1-CD1 3.8Å; V128-Y258 HydrophobicContact CG1-CE1 4.02Å; V128-F332 HydrophobicContact CB-CD2 4.14Å; V128-F332 HydrophobicContact CB-CE2 3.69Å; V128-F332 HydrophobicContact CB-CZ 4.27Å; V128-F332 HydrophobicContact CG1-CD2 3.64Å; V128-F332 HydrophobicContact CG1-CE2 3.72Å; V128-F332 HydrophobicContact CG1-CG 4.27Å; V128-F332 HydrophobicContact CG1-CZ 4.43Å; V128-F332 HydrophobicContact CG2-CE2 4.4Å
129E91.8Very high91.1Very high26 Ų2627.7 Ų27.712%0.12115%0.153CC..G310 helixtrans-63.3-15.5177.8-68.6-170.2-121.400113.2T127 M131 G132 L153 S158T127-E129 HydrophobicContact CG2-CB 3.88Å; T127-E129 PolarHBondContact O-N 3.38Å; T127-E129 PolarHBondContact OG1-N 2.89Å; T127-E129 VanDerWaalsContact OG1-N 3.17Å; E129-M131 PolarHBondContact O-N 2.82Å; E129-M131 VanDerWaalsContact O-N 3.14Å; E129-G132 PolarHBondContact O-N 2.86Å; E129-L153 WeakPolarHBondContact O-CD2 3.48Å; E129-S158 WeakPolarHBondContact O-CB 3.16Å; E129-S158 PolarHBondContact OE2-OG 3.12Å
130V93.5Very high90.9Very high2 Ų228 Ų281%0.01216%0.155CC..G310 helixtrans-67.9-6.2172.3-51.10000113.3T127 V128 T151 K161 K162 R188T127-V130 HydrophobicContact CG2-CG1 3.86Å; T127-V130 WeakPolarHBondContact O-CG1 3.44Å; T127-V130 VanDerWaalsContact O-CG2 3.25Å; T127-V130 WeakPolarHBondContact O-CG2 3.32Å; T127-V130 PolarHBondContact O-N 3.43Å; V128-V130 PolarHBondContact O-N 3.06Å; V128-V130 VanDerWaalsContact O-N 3.08Å; V130-T151 WeakPolarHBondContact O-CG2 3.1Å; V130-K161 HydrophobicContact CG1-CB 3.86Å; V130-K162 HydrophobicContact CB-CB 4.08Å; V130-K162 HydrophobicContact CB-CD 3.98Å; V130-K162 HydrophobicContact CG1-CB 4.12Å; V130-K162 HydrophobicContact CG2-CD 4.4Å; V130-R188 VanDerWaalsContact CG2-NE 3.29Å
131M91Very high90.8Very high14 Ų1431 Ų317%0.06917%0.168CC..G310 helixtrans-95.1-24.4174.8-65.9-60.1-7100113.9V128 E129 I140 Y149 T151 R188 Y258 F332V128-M131 WeakPolarHBondContact O-CB 3.27Å; V128-M131 PolarHBondContact O-N 2.93Å; E129-M131 PolarHBondContact O-N 2.82Å; E129-M131 VanDerWaalsContact O-N 3.14Å; M131-I140 HydrophobicContact CB-CD1 4.28Å; M131-I140 HydrophobicContact CE-CD1 4.3Å; M131-Y149 WeakPolarHBondContact O-CD1 3.43Å; M131-Y149 WeakPolarHBondContact O-CE1 2.96Å; M131-T151 WeakPolarHBondContact O-CB 3.21Å; M131-T151 WeakPolarHBondContact O-CG2 3.38Å; M131-T151 PolarHBondContact O-OG1 2.96Å; M131-R188 PolarHBondContact SD-NH1 2.89Å; M131-Y258 WeakPolarHBondContact CE-OH 3.33Å; M131-Y258 HydrophobicContact CG-CE1 4.28Å; M131-Y258 WeakPolarHBondContact CG-OH 3.19Å; M131-Y258 PolarHBondContact SD-OH 2.89Å; M131-F332 HydrophobicContact CB-CZ 4.4Å; M131-F332 HydrophobicContact CG-CE1 4.29Å; M131-F332 HydrophobicContact CG-CZ 4.34Å
132G75.8Confident90.7Very high6 Ų635.8 Ų35.86%0.06219%0.194CC..  trans160.6-170.7-169.400000113.4E129E129-G132 PolarHBondContact O-N 2.86Å
133P81.9Confident90.5Very high16 Ų1635.9 Ų35.910%0.10419%0.194CC..  cis-74154.12127.4-36.7000115.8T324 L325 F330P133-T324 HydrophobicContact CB-CG2 3.78Å; P133-T324 HydrophobicContact CG-CG2 3.85Å; P133-L325 HydrophobicContact CG-CB 4.22Å; P133-F330 HydrophobicContact CB-CE2 3.91Å; P133-F330 HydrophobicContact CB-CZ 4.03Å
134N81.3Confident90.4Very high3 Ų338.3 Ų38.32%0.01621%0.209CC..  trans-80.5165.4169.27823.4000112.5R136 G137 E138 Y149 N150N134-R136 PolarHBondContact O-N 3.16Å; N134-R136 VanDerWaalsContact O-N 3.13Å; N134-R136 WeakPolarHBondContact OD1-CA 3.32Å; N134-R136 WeakPolarHBondContact OD1-CB 3.12Å; N134-R136 PolarHBondContact OD1-N 2.9Å; N134-G137 PolarHBondContact O-N 3.09Å; N134-G137 PolarHBondContact OD1-N 3.4Å; N134-E138 PolarHBondContact ND2-OE2 2.97Å; N134-E138 PolarHBondContact OD1-N 3.34Å; N134-E138 VanDerWaalsContact OD1-N 3.1Å; N134-Y149 HydrophobicContact CB-CE1 3.58Å; N134-Y149 WeakPolarHBondContact CB-OH 3.38Å; N134-Y149 PolarHBondContact N-OH 2.75Å; N134-Y149 WeakPolarHBondContact ND2-CE2 3.41Å; N134-Y149 VanDerWaalsContact ND2-CZ 3.26Å; N134-Y149 PolarHBondContact ND2-OH 3.18Å; N134-N150 WeakPolarHBondContact CB-O 3.45Å
135P73.9Confident90.3Very high79 Ų7939.4 Ų39.451%0.51322%0.215SC..THydrogen-bonded Turntrans-65.5-18-176-21.635.3000114.2T152P135-T152 WeakPolarHBondContact CD-OG1 3.38Å; P135-T152 HydrophobicContact CG-CG2 3.98Å; P135-T152 WeakPolarHBondContact CG-OG1 3.47Å
136R79.5Confident90.2Very high169 Ų16944.8 Ų44.864%0.63824%0.243SC*.THydrogen-bonded Turntrans-87.1-8.9178.1-63.2-169.5-67.4-164.16.3112.5N134 E138N134-R136 PolarHBondContact O-N 3.16Å; N134-R136 VanDerWaalsContact O-N 3.13Å; N134-R136 WeakPolarHBondContact OD1-CA 3.32Å; N134-R136 WeakPolarHBondContact OD1-CB 3.12Å; N134-R136 PolarHBondContact OD1-N 2.9Å; R136-E138 HydrophobicContact CB-CG 3.86Å; R136-E138 IonicContact CZ-OE1 3.17Å; R136-E138 IonicContact CZ-OE2 3.88Å; R136-E138 VanDerWaalsContact CZ-OE2 3.29Å; R136-E138 IonicContact NE-OE1 2.73Å; R136-E138 PolarHBondContact NE-OE1 2.96Å; R136-E138 IonicContact NE-OE2 3.55Å; R136-E138 PolarHBondContact NE-OE2 3.45Å; R136-E138 IonicContact NH1-OE1 3.36Å; R136-E138 VanDerWaalsContact NH2-CD 3.25Å; R136-E138 IonicContact NH2-OE1 3.17Å; R136-E138 PolarHBondContact NH2-OE1 2.75Å; R136-E138 IonicContact NH2-OE2 2.82Å; R136-E138 PolarHBondContact NH2-OE2 3.27Å; R136-E138 PolarHBondContact O-N 2.97Å
137G81.3Confident90Very high29 Ų2946.9 Ų46.930%0.29926%0.255SS..  trans64.231-174.800000112.3N134N134-G137 PolarHBondContact O-N 3.09Å; N134-G137 PolarHBondContact OD1-N 3.4Å
138E90.4Very high89.8Confident67 Ų6753.1 Ų53.131%0.31329%0.293SS..  trans-73.7132.9179.5-69167.2152.900110N134 R136 Y149N134-E138 PolarHBondContact ND2-OE2 2.97Å; N134-E138 PolarHBondContact OD1-N 3.34Å; N134-E138 VanDerWaalsContact OD1-N 3.1Å; R136-E138 HydrophobicContact CB-CG 3.86Å; R136-E138 IonicContact CZ-OE1 3.17Å; R136-E138 IonicContact CZ-OE2 3.88Å; R136-E138 VanDerWaalsContact CZ-OE2 3.29Å; R136-E138 IonicContact NE-OE1 2.73Å; R136-E138 PolarHBondContact NE-OE1 2.96Å; R136-E138 IonicContact NE-OE2 3.55Å; R136-E138 PolarHBondContact NE-OE2 3.45Å; R136-E138 IonicContact NH1-OE1 3.36Å; R136-E138 VanDerWaalsContact NH2-CD 3.25Å; R136-E138 IonicContact NH2-OE1 3.17Å; R136-E138 PolarHBondContact NH2-OE1 2.75Å; R136-E138 IonicContact NH2-OE2 2.82Å; R136-E138 PolarHBondContact NH2-OE2 3.27Å; R136-E138 PolarHBondContact O-N 2.97Å; E138-Y149 HydrophobicContact CB-CE2 4.22Å; E138-Y149 WeakPolarHBondContact O-CE2 3.31Å; E138-Y149 PolarHBondContact O-OH 2.98Å
139P93.6Very high89.6Confident71 Ų7153.7 Ų53.746%0.46129%0.294SS..  trans-73.1157.5179.231.7-35.5000111.7I141 T328 S329P139-I141 HydrophobicContact CB-CD1 4.02Å; P139-I141 HydrophobicContact CB-CG1 4.35Å; P139-T328 HydrophobicContact CB-CG2 4.35Å; P139-S329 CarbonylContact C-O 3.57Å; P139-S329 WeakPolarHBondContact CA-O 3.41Å; P139-S329 VanDerWaalsContact CB-O 3.26Å; P139-S329 WeakPolarHBondContact CB-O 3.35Å
140I94.8Very high89.3Confident8 Ų857.2 Ų57.24%0.04131%0.313CS..EExtended strand (participates in β ladder)trans-112.1118.8159.7-61.9174.3000107.1M131 T147 Y149 S329 F330 T331 F332M131-I140 HydrophobicContact CB-CD1 4.28Å; M131-I140 HydrophobicContact CE-CD1 4.3Å; I140-T147 HydrophobicContact CG2-CG2 4.23Å; I140-Y149 HydrophobicContact CD1-CD1 4.05Å; I140-Y149 HydrophobicContact CD1-CD2 3.63Å; I140-Y149 HydrophobicContact CD1-CE1 4.33Å; I140-Y149 HydrophobicContact CD1-CE2 3.95Å; I140-Y149 HydrophobicContact CD1-CG 3.67Å; I140-Y149 HydrophobicContact CG1-CD2 3.47Å; I140-Y149 VanDerWaalsContact CG1-CD2 3.47Å; I140-Y149 HydrophobicContact CG1-CE2 3.56Å; I140-Y149 HydrophobicContact CG1-CG 4.08Å; I140-S329 PolarHBondContact N-O 3.18Å; I140-F330 HydrophobicContact CB-CD1 3.78Å; I140-F330 HydrophobicContact CB-CE1 4.04Å; I140-F330 HydrophobicContact CD1-CD1 3.92Å; I140-F330 HydrophobicContact CD1-CE1 3.66Å; I140-F330 HydrophobicContact CG1-CD1 3.92Å; I140-F330 HydrophobicContact CG1-CE1 3.65Å; I140-F330 WeakPolarHBondContact O-CA 3.38Å; I140-T331 PolarHBondContact O-N 3.13Å; I140-F332 HydrophobicContact CB-CE1 4.42Å; I140-F332 HydrophobicContact CB-CZ 4.43Å; I140-F332 HydrophobicContact CD1-CE1 3.96Å; I140-F332 HydrophobicContact CD1-CZ 3.98Å; I140-F332 HydrophobicContact CG2-CD1 4.3Å; I140-F332 HydrophobicContact CG2-CE1 3.84Å; I140-F332 HydrophobicContact CG2-CZ 4.31Å
141I95.1Very high88.9Confident112 Ų11259.7 Ų59.757%0.57433%0.328SS*.EExtended strand (participates in β ladder)trans-110.1119.2178.2-52-58.6000108.4P139 G143 T331P139-I141 HydrophobicContact CB-CD1 4.02Å; P139-I141 HydrophobicContact CB-CG1 4.35Å; I141-G143 VanDerWaalsContact C-N 3.29Å; I141-G143 PolarHBondContact O-N 2.88Å; I141-T331 WeakPolarHBondContact CA-OG1 3.4Å
142N95.4Very high88.5Confident103 Ų10361.5 Ų61.555%0.55134%0.34SS*.EExtended strand (participates in β ladder)trans51.345.5-178.2-163.440.1000113.3T331 S333N142-T331 CarbonylContact C-O 3.6Å; N142-T331 WeakPolarHBondContact CA-O 3.45Å; N142-T331 PolarHBondContact N-O 3.48Å; N142-T331 PolarHBondContact N-OG1 2.8Å; N142-S333 WeakPolarHBondContact OD1-CB 3.33Å
143G96.2Very high88.9Confident2 Ų262.9 Ų62.92%0.02135%0.346CS..EExtended strand (participates in β ladder)trans-63.6144.4-179.800000112.7I141 T147 T331 F332 S333I141-G143 VanDerWaalsContact C-N 3.29Å; I141-G143 PolarHBondContact O-N 2.88Å; G143-T147 WeakPolarHBondContact CA-OG1 3.34Å; G143-T331 PolarHBondContact N-O 2.81Å; G143-F332 CarbonylContact O-C 3.58Å; G143-F332 VanDerWaalsContact O-CA 3.27Å; G143-F332 WeakPolarHBondContact O-CA 3.37Å; G143-S333 PolarHBondContact O-N 3.42Å
144T97Very high88.8Confident51 Ų5166.4 Ų66.431%0.31336%0.36SS..  trans-117.4174.1174.9680000110.5D146 T147 Y258T144-D146 PolarHBondContact O-N 3.06Å; T144-D146 VanDerWaalsContact O-N 3.1Å; T144-D146 PolarHBondContact OG1-N 2.93Å; T144-T147 PolarHBondContact N-OG1 3.16Å; T144-T147 WeakPolarHBondContact O-CB 3.22Å; T144-T147 PolarHBondContact O-N 2.7Å; T144-T147 PolarHBondContact O-OG1 2.83Å; T144-Y258 WeakPolarHBondContact O-CE2 3.44Å
145E96.3Very high88.9Confident23 Ų2366.5 Ų66.511%0.10736%0.36CS..THydrogen-bonded Turntrans-60-19.6177.2-67.874.8-16900113.6F256 Y257 Y258 K336E145-F256 HydrophobicContact CB-CE2 3.85Å; E145-F256 HydrophobicContact CB-CZ 3.92Å; E145-F256 HydrophobicContact CG-CD2 3.96Å; E145-F256 HydrophobicContact CG-CE2 3.57Å; E145-F256 HydrophobicContact CG-CZ 4.13Å; E145-F256 WeakPolarHBondContact CG-O 3.5Å; E145-Y257 WeakPolarHBondContact OE1-CA 3.25Å; E145-Y258 HydrophobicContact CG-CD2 4.18Å; E145-Y258 HydrophobicContact CG-CE2 4.43Å; E145-Y258 PolarHBondContact OE1-N 2.75Å; E145-K336 HydrophobicContact CB-CD 3.7Å; E145-K336 VanDerWaalsContact CD-CD 3.44Å; E145-K336 HydrophobicContact CG-CD 3.6Å; E145-K336 WeakPolarHBondContact OE2-CB 3.19Å; E145-K336 WeakPolarHBondContact OE2-CD 3.42Å
146D95.9Very high89.7Confident124 Ų12464.3 Ų64.366%0.66334%0.344SS*.THydrogen-bonded Turntrans-94.83177.7-52-53.3000112.5T144 V148 K336T144-D146 PolarHBondContact O-N 3.06Å; T144-D146 VanDerWaalsContact O-N 3.1Å; T144-D146 PolarHBondContact OG1-N 2.93Å; D146-V148 PolarHBondContact O-N 2.81Å; D146-V148 VanDerWaalsContact O-N 3.15Å; D146-K336 IonicContact OD1-NZ 2.97Å; D146-K336 IonicContact OD2-NZ 3.7Å
147T94.9Very high90.2Very high46 Ų4656.9 Ų56.928%0.28232%0.316SS..  trans-67.5113.3-179.8-63.30000110.9I140 G143 T144 Y149I140-T147 HydrophobicContact CG2-CG2 4.23Å; G143-T147 WeakPolarHBondContact CA-OG1 3.34Å; T144-T147 PolarHBondContact N-OG1 3.16Å; T144-T147 WeakPolarHBondContact O-CB 3.22Å; T144-T147 PolarHBondContact O-N 2.7Å; T144-T147 PolarHBondContact O-OG1 2.83Å; T147-Y149 PolarHBondContact O-N 3.44Å
148V91.6Very high90.8Very high145 Ų14555.5 Ų55.588%0.87930%0.302SS*.  trans-78.8116.8171.9-177.70000108.9D146D146-V148 PolarHBondContact O-N 2.81Å; D146-V148 VanDerWaalsContact O-N 3.15Å
149Y89.8Confident90.9Very high32 Ų3256.2 Ų56.213%0.12530%0.304CS..  trans-134.1138178.2-171.1-103.1000109.8M131 N134 E138 I140 T147 T151 F330M131-Y149 WeakPolarHBondContact O-CD1 3.43Å; M131-Y149 WeakPolarHBondContact O-CE1 2.96Å; N134-Y149 HydrophobicContact CB-CE1 3.58Å; N134-Y149 WeakPolarHBondContact CB-OH 3.38Å; N134-Y149 PolarHBondContact N-OH 2.75Å; N134-Y149 WeakPolarHBondContact ND2-CE2 3.41Å; N134-Y149 VanDerWaalsContact ND2-CZ 3.26Å; N134-Y149 PolarHBondContact ND2-OH 3.18Å; E138-Y149 HydrophobicContact CB-CE2 4.22Å; E138-Y149 WeakPolarHBondContact O-CE2 3.31Å; E138-Y149 PolarHBondContact O-OH 2.98Å; I140-Y149 HydrophobicContact CD1-CD1 4.05Å; I140-Y149 HydrophobicContact CD1-CD2 3.63Å; I140-Y149 HydrophobicContact CD1-CE1 4.33Å; I140-Y149 HydrophobicContact CD1-CE2 3.95Å; I140-Y149 HydrophobicContact CD1-CG 3.67Å; I140-Y149 HydrophobicContact CG1-CD2 3.47Å; I140-Y149 VanDerWaalsContact CG1-CD2 3.47Å; I140-Y149 HydrophobicContact CG1-CE2 3.56Å; I140-Y149 HydrophobicContact CG1-CG 4.08Å; T147-Y149 PolarHBondContact O-N 3.44Å; Y149-T151 PolarHBondContact O-N 3Å; Y149-T151 PolarHBondContact O-OG1 2.61Å; Y149-F330 WeakPolarHBondContact OH-CZ 3.46Å
150N86.6Confident91.1Very high100 Ų10052.8 Ų52.854%0.53528%0.282SS..  trans-77.776.7178-173.415.1000110.3N134 T152N134-N150 WeakPolarHBondContact CB-O 3.45Å; N150-T152 PolarHBondContact O-N 3.1Å
151T83.8Confident91.2Very high53 Ų5352.6 Ų52.633%0.32528%0.281SS..  trans-65.7128.1-176-59.30000111.3V130 M131 Y149 L153V130-T151 WeakPolarHBondContact O-CG2 3.1Å; M131-T151 WeakPolarHBondContact O-CB 3.21Å; M131-T151 WeakPolarHBondContact O-CG2 3.38Å; M131-T151 PolarHBondContact O-OG1 2.96Å; Y149-T151 PolarHBondContact O-N 3Å; Y149-T151 PolarHBondContact O-OG1 2.61Å; T151-L153 HydrophobicContact CG2-CD1 4.42Å; T151-L153 HydrophobicContact CG2-CD2 3.41Å; T151-L153 VanDerWaalsContact CG2-CD2 3.41Å; T151-L153 HydrophobicContact CG2-CG 3.67Å
152T82.9Confident91.3Very high52 Ų5249.8 Ų49.832%0.31926%0.264SS..  trans-129.598.1167-55.10000108.9P135 N150 K154P135-T152 WeakPolarHBondContact CD-OG1 3.38Å; P135-T152 HydrophobicContact CG-CG2 3.98Å; P135-T152 WeakPolarHBondContact CG-OG1 3.47Å; N150-T152 PolarHBondContact O-N 3.1Å; T152-K154 HydrophobicContact CG2-CG 4.24Å; T152-K154 PolarHBondContact O-N 3.2Å
153L83.9Confident91.5Very high36 Ų3647.7 Ų47.719%0.18825%0.251CS..  trans-77.5108.4-179.4-54.9-177.2000109.2E129 T151 K159 K162E129-L153 WeakPolarHBondContact O-CD2 3.48Å; T151-L153 HydrophobicContact CG2-CD1 4.42Å; T151-L153 HydrophobicContact CG2-CD2 3.41Å; T151-L153 VanDerWaalsContact CG2-CD2 3.41Å; T151-L153 HydrophobicContact CG2-CG 3.67Å; L153-K159 HydrophobicContact CB-CG 3.78Å; L153-K159 WeakPolarHBondContact O-CE 3.47Å; L153-K162 HydrophobicContact CD1-CB 3.36Å; L153-K162 HydrophobicContact CD1-CG 3.71Å
154K81.1Confident91.6Very high90 Ų9047.6 Ų47.639%0.39125%0.25SS..  trans-95.9-37.5175-65.8-175.7175.7176.50111.5T152 K159 Q321T152-K154 HydrophobicContact CG2-CG 4.24Å; T152-K154 PolarHBondContact O-N 3.2Å; K154-K159 VanDerWaalsContact O-CE 3.31Å; K154-K159 WeakPolarHBondContact O-CE 3.22Å; K154-K159 PolarHBondContact O-NZ 2.93Å; K154-Q321 HydrophobicContact CB-CG 4.09Å; K154-Q321 VanDerWaalsContact CB-NE2 3.31Å; K154-Q321 HydrophobicContact CD-CG 4.38Å
155F83.6Confident91.7Very high5 Ų545.2 Ų45.22%0.02224%0.235CC..SBendtrans-63.4132.9177.9-79.5-64.4000111.3V90 Y157 S158 K159 Q321 L322 L325V90-F155 WeakPolarHBondContact O-CE1 3.42Å; F155-Y157 PolarHBondContact O-N 3.38Å; F155-S158 VanDerWaalsContact CB-OG 3.28Å; F155-S158 WeakPolarHBondContact CB-OG 3.49Å; F155-S158 PolarHBondContact O-N 3.28Å; F155-K159 WeakPolarHBondContact O-CG 3.42Å; F155-K159 PolarHBondContact O-N 3.47Å; F155-Q321 VanDerWaalsContact CA-OE1 3.31Å; F155-Q321 HydrophobicContact CD1-CB 4.28Å; F155-Q321 HydrophobicContact CD2-CB 4.09Å; F155-Q321 HydrophobicContact CE1-CB 3.75Å; F155-Q321 HydrophobicContact CE2-CB 3.53Å; F155-Q321 HydrophobicContact CG-CB 4.45Å; F155-Q321 VanDerWaalsContact CZ-C 3.46Å; F155-Q321 HydrophobicContact CZ-CB 3.37Å; F155-L322 HydrophobicContact CZ-CB 3.99Å; F155-L322 VanDerWaalsContact CZ-N 3.26Å; F155-L325 HydrophobicContact CE2-CB 4.46Å; F155-L325 HydrophobicContact CE2-CD2 4.31Å
156N89.3Confident91.8Very high32 Ų3246.8 Ų46.817%0.17125%0.245CC..Hα-helixtrans-56.2-41.7172.6-72.4-23.9000111.6Y96 M99 K159 T160Y96-N156 HydrophobicContact CD2-CB 3.77Å; Y96-N156 WeakPolarHBondContact CD2-OD1 3.21Å; Y96-N156 HydrophobicContact CE2-CB 4.32Å; M99-N156 HydrophobicContact CE-CB 4.27Å; M99-N156 HydrophobicContact SD-CB 3.87Å; N156-K159 PolarHBondContact O-N 3Å; N156-T160 WeakPolarHBondContact O-CG2 3.37Å; N156-T160 PolarHBondContact O-N 2.89Å; N156-T160 PolarHBondContact O-OG1 2.64Å
157Y91.4Very high91.9Very high13 Ų1343.5 Ų43.55%0.05122%0.223CC..Hα-helixtrans-58.7-55.9176.7178-116.8000111.5L87 I88 M99 T127 F155 K159 T160 K161L87-Y157 VanDerWaalsContact O-CD2 3.31Å; L87-Y157 WeakPolarHBondContact O-CD2 3.35Å; L87-Y157 WeakPolarHBondContact O-CE2 3.44Å; I88-Y157 HydrophobicContact CB-CD2 4.47Å; I88-Y157 HydrophobicContact CB-CE2 4.1Å; I88-Y157 HydrophobicContact CG1-CE2 3.71Å; I88-Y157 HydrophobicContact CG2-CD1 4.46Å; I88-Y157 HydrophobicContact CG2-CD2 4.42Å; I88-Y157 HydrophobicContact CG2-CE1 4.2Å; I88-Y157 HydrophobicContact CG2-CE2 4.16Å; M99-Y157 WeakPolarHBondContact SD-CA 3.32Å; M99-Y157 PolarHBondContact SD-N 3.18Å; T127-Y157 HydrophobicContact CG2-CE1 3.87Å; F155-Y157 PolarHBondContact O-N 3.38Å; Y157-K159 VanDerWaalsContact C-N 3.33Å; Y157-K159 PolarHBondContact O-N 3.04Å; Y157-T160 PolarHBondContact O-N 3.14Å; Y157-T160 PolarHBondContact O-OG1 2.97Å; Y157-K161 HydrophobicContact CD2-CD 4.39Å; Y157-K161 HydrophobicContact CD2-CG 3.87Å; Y157-K161 HydrophobicContact CE1-CG 4.18Å; Y157-K161 HydrophobicContact CE2-CD 3.65Å; Y157-K161 HydrophobicContact CE2-CG 3.44Å; Y157-K161 VanDerWaalsContact CE2-CG 3.44Å; Y157-K161 HydrophobicContact CG-CG 4.41Å; Y157-K161 WeakPolarHBondContact O-CG 3.19Å; Y157-K161 PolarHBondContact O-N 3.43Å
158S92.2Very high92.1Very high1 Ų141.3 Ų41.31%0.00721%0.21CC..Hα-helixtrans-59-41.3-179.8-38.60000112.8E129 F155 K161 K162E129-S158 WeakPolarHBondContact O-CB 3.16Å; E129-S158 PolarHBondContact OE2-OG 3.12Å; F155-S158 VanDerWaalsContact CB-OG 3.28Å; F155-S158 WeakPolarHBondContact CB-OG 3.49Å; F155-S158 PolarHBondContact O-N 3.28Å; S158-K161 PolarHBondContact O-N 3.17Å; S158-K162 WeakPolarHBondContact O-CB 3.34Å; S158-K162 PolarHBondContact O-N 2.87Å
159K94Very high92.4Very high81 Ų8136 Ų3635%0.35218%0.176SC..Hα-helixtrans-59.3-50.8176.4-73.1171.4-175.21630111.9L153 K154 F155 N156 Y157 K162 E163L153-K159 HydrophobicContact CB-CG 3.78Å; L153-K159 WeakPolarHBondContact O-CE 3.47Å; K154-K159 VanDerWaalsContact O-CE 3.31Å; K154-K159 WeakPolarHBondContact O-CE 3.22Å; K154-K159 PolarHBondContact O-NZ 2.93Å; F155-K159 WeakPolarHBondContact O-CG 3.42Å; F155-K159 PolarHBondContact O-N 3.47Å; N156-K159 PolarHBondContact O-N 3Å; Y157-K159 VanDerWaalsContact C-N 3.33Å; Y157-K159 PolarHBondContact O-N 3.04Å; K159-K162 PolarHBondContact O-N 3.42Å; K159-E163 PolarHBondContact O-N 3.35Å
160T97.1Very high92.8Very high0 Ų041.5 Ų41.50%020%0.203CC..Hα-helixtrans-65.8-40.5-178.258.50000111.6Y96 M99 Y100 N103 V104 N156 Y157 A164Y96-T160 HydrophobicContact CE2-CG2 3.81Å; M99-T160 HydrophobicContact CG-CG2 4.08Å; M99-T160 HydrophobicContact SD-CG2 4.16Å; Y100-T160 HydrophobicContact CD2-CG2 4.28Å; N103-T160 PolarHBondContact ND2-OG1 2.66Å; V104-T160 HydrophobicContact CG2-CG2 3.99Å; V104-T160 WeakPolarHBondContact CG2-O 3.39Å; N156-T160 WeakPolarHBondContact O-CG2 3.37Å; N156-T160 PolarHBondContact O-N 2.89Å; N156-T160 PolarHBondContact O-OG1 2.64Å; Y157-T160 PolarHBondContact O-N 3.14Å; Y157-T160 PolarHBondContact O-OG1 2.97Å; T160-A164 VanDerWaalsContact O-CB 3.28Å; T160-A164 WeakPolarHBondContact O-CB 3.27Å; T160-A164 PolarHBondContact O-N 3.01Å
161K97.6Very high93.4Very high4 Ų437.2 Ų37.22%0.01718%0.182CC..Hα-helixtrans-63.9-40.1174.4-66.2-58.1-64.3178.80112.4Y124 T125 T127 V130 Y157 S158 E165Y124-K161 VanDerWaalsContact CZ-NZ 3.3Å; Y124-K161 WeakPolarHBondContact OH-CE 3.41Å; Y124-K161 PolarHBondContact OH-NZ 2.91Å; T125-K161 VanDerWaalsContact O-CE 3.31Å; T125-K161 WeakPolarHBondContact O-CE 3.16Å; T125-K161 PolarHBondContact O-NZ 2.91Å; T127-K161 HydrophobicContact CG2-CB 3.95Å; T127-K161 HydrophobicContact CG2-CG 3.97Å; V130-K161 HydrophobicContact CG1-CB 3.86Å; Y157-K161 HydrophobicContact CD2-CD 4.39Å; Y157-K161 HydrophobicContact CD2-CG 3.87Å; Y157-K161 HydrophobicContact CE1-CG 4.18Å; Y157-K161 HydrophobicContact CE2-CD 3.65Å; Y157-K161 HydrophobicContact CE2-CG 3.44Å; Y157-K161 VanDerWaalsContact CE2-CG 3.44Å; Y157-K161 HydrophobicContact CG-CG 4.41Å; Y157-K161 WeakPolarHBondContact O-CG 3.19Å; Y157-K161 PolarHBondContact O-N 3.43Å; S158-K161 PolarHBondContact O-N 3.17Å; K161-E165 VanDerWaalsContact O-CB 3.28Å; K161-E165 WeakPolarHBondContact O-CB 3.21Å; K161-E165 PolarHBondContact O-N 2.89Å
162K97.3Very high94.1Very high52 Ų5237.3 Ų37.323%0.22618%0.18CC..Hα-helixtrans-65.6-47.1178.2-178.859.4-171.6145.20112V130 L153 S158 K159 A164 E165 D166V130-K162 HydrophobicContact CB-CB 4.08Å; V130-K162 HydrophobicContact CB-CD 3.98Å; V130-K162 HydrophobicContact CG1-CB 4.12Å; V130-K162 HydrophobicContact CG2-CD 4.4Å; L153-K162 HydrophobicContact CD1-CB 3.36Å; L153-K162 HydrophobicContact CD1-CG 3.71Å; S158-K162 WeakPolarHBondContact O-CB 3.34Å; S158-K162 PolarHBondContact O-N 2.87Å; K159-K162 PolarHBondContact O-N 3.42Å; K162-A164 VanDerWaalsContact C-N 3.33Å; K162-A164 PolarHBondContact O-N 3.3Å; K162-E165 IonicContact NZ-OE1 3.35Å; K162-E165 PolarHBondContact NZ-OE1 3.42Å; K162-E165 WeakPolarHBondContact O-CB 3.43Å; K162-E165 PolarHBondContact O-N 3.04Å; K162-D166 VanDerWaalsContact CE-OD1 3.3Å; K162-D166 WeakPolarHBondContact CE-OD1 3.38Å; K162-D166 WeakPolarHBondContact CE-OD2 3.39Å; K162-D166 IonicContact NZ-OD1 3.42Å; K162-D166 PolarHBondContact NZ-OD1 3.18Å; K162-D166 IonicContact NZ-OD2 2.7Å; K162-D166 VanDerWaalsContact O-CG 3.31Å; K162-D166 PolarHBondContact O-N 3.37Å
163E98.1Very high94.8Very high60 Ų6035.8 Ų35.828%0.2817%0.174SC..Hα-helixtrans-63-40.1179-17417915300112Y100 V104 K159 D166 R167Y100-E163 WeakPolarHBondContact CE2-OE2 3.06Å; Y100-E163 PolarHBondContact OH-OE1 3.26Å; V104-E163 HydrophobicContact CG1-CB 4.48Å; V104-E163 HydrophobicContact CG1-CG 3.95Å; V104-E163 WeakPolarHBondContact CG1-OE1 3.48Å; V104-E163 HydrophobicContact CG2-CB 4.36Å; K159-E163 PolarHBondContact O-N 3.35Å; E163-D166 PolarHBondContact O-N 3.03Å; E163-R167 WeakPolarHBondContact O-CD 3.39Å; E163-R167 VanDerWaalsContact O-CG 3.26Å; E163-R167 WeakPolarHBondContact O-CG 3.16Å; E163-R167 PolarHBondContact O-N 2.8Å; E163-R167 IonicContact OE1-CZ 2.83Å; E163-R167 IonicContact OE1-NE 3.68Å; E163-R167 PolarHBondContact OE1-NE 3.19Å; E163-R167 IonicContact OE1-NH2 2.93Å; E163-R167 PolarHBondContact OE1-NH2 3.27Å
164A98.7Very high95.5Very high0 Ų038.7 Ų38.70%019%0.187CC..Hα-helixtrans-69.9-35.717700000113.2N103 T107 Y124 T160 K162 T168N103-A164 WeakPolarHBondContact O-CB 3.49Å; T107-A164 HydrophobicContact CG2-CB 4.19Å; Y124-A164 HydrophobicContact CE2-CB 4.35Å; Y124-A164 WeakPolarHBondContact OH-CB 3.26Å; T160-A164 VanDerWaalsContact O-CB 3.28Å; T160-A164 WeakPolarHBondContact O-CB 3.27Å; T160-A164 PolarHBondContact O-N 3.01Å; K162-A164 VanDerWaalsContact C-N 3.33Å; K162-A164 PolarHBondContact O-N 3.3Å; A164-T168 WeakPolarHBondContact O-CB 3.3Å; A164-T168 PolarHBondContact O-N 2.61Å; A164-T168 PolarHBondContact O-OG1 3.01Å
165E98.8Very high96.3Very high0 Ų038.1 Ų38.10%019%0.191CC..Hα-helixtrans-61.5-48.9169.8-177.4-172.484.400110.7Y124 S126 K161 K162 R167 T168 L169 A186 R188Y124-E165 HydrophobicContact CD1-CB 4.2Å; Y124-E165 HydrophobicContact CE1-CB 3.9Å; S126-E165 WeakPolarHBondContact CB-OE2 3.48Å; S126-E165 PolarHBondContact OG-OE2 2.8Å; K161-E165 VanDerWaalsContact O-CB 3.28Å; K161-E165 WeakPolarHBondContact O-CB 3.21Å; K161-E165 PolarHBondContact O-N 2.89Å; K162-E165 IonicContact NZ-OE1 3.35Å; K162-E165 PolarHBondContact NZ-OE1 3.42Å; K162-E165 WeakPolarHBondContact O-CB 3.43Å; K162-E165 PolarHBondContact O-N 3.04Å; E165-R167 VanDerWaalsContact C-N 3.33Å; E165-R167 PolarHBondContact O-N 3.35Å; E165-T168 WeakPolarHBondContact O-CA 3.41Å; E165-T168 WeakPolarHBondContact O-CB 3.46Å; E165-T168 PolarHBondContact O-N 2.82Å; E165-L169 HydrophobicContact CG-CD1 4.11Å; E165-L169 HydrophobicContact CG-CG 4.35Å; E165-L169 WeakPolarHBondContact O-CG 3.48Å; E165-L169 PolarHBondContact O-N 3.41Å; E165-A186 HydrophobicContact CG-CB 3.77Å; E165-R188 IonicContact OE1-CZ 3.55Å; E165-R188 IonicContact OE1-NE 2.81Å; E165-R188 IonicContact OE1-NH2 3.92Å; E165-R188 PolarHBondContact OE1-NH2 2.92Å; E165-R188 IonicContact OE2-CZ 3.3Å; E165-R188 IonicContact OE2-NE 3.82Å; E165-R188 PolarHBondContact OE2-NE 3.17Å; E165-R188 IonicContact OE2-NH2 2.77Å
166D98.5Very high97Very high57 Ų5738 Ų3831%0.30519%0.191SC..Hα-helixtrans-58.8-44.7179.8-71.5-26.5000111.7K162 E163 T168 L169 Q170K162-D166 VanDerWaalsContact CE-OD1 3.3Å; K162-D166 WeakPolarHBondContact CE-OD1 3.38Å; K162-D166 WeakPolarHBondContact CE-OD2 3.39Å; K162-D166 IonicContact NZ-OD1 3.42Å; K162-D166 PolarHBondContact NZ-OD1 3.18Å; K162-D166 IonicContact NZ-OD2 2.7Å; K162-D166 VanDerWaalsContact O-CG 3.31Å; K162-D166 PolarHBondContact O-N 3.37Å; E163-D166 PolarHBondContact O-N 3.03Å; D166-T168 VanDerWaalsContact C-N 3.3Å; D166-T168 PolarHBondContact O-N 3.34Å; D166-L169 PolarHBondContact O-N 3.08Å; D166-Q170 WeakPolarHBondContact O-CB 3.2Å; D166-Q170 WeakPolarHBondContact O-CG 3.28Å; D166-Q170 PolarHBondContact O-N 3.05Å
167R98.7Very high97.4Very high55 Ų5543 Ų4321%0.20821%0.213CC..Hα-helixtrans-60.4-40.2174.3-70.5161.6179.6-101.66.5112.2L111 E163 E165 A171L111-R167 HydrophobicContact CD1-CB 4.31Å; E163-R167 WeakPolarHBondContact O-CD 3.39Å; E163-R167 VanDerWaalsContact O-CG 3.26Å; E163-R167 WeakPolarHBondContact O-CG 3.16Å; E163-R167 PolarHBondContact O-N 2.8Å; E163-R167 IonicContact OE1-CZ 2.83Å; E163-R167 IonicContact OE1-NE 3.68Å; E163-R167 PolarHBondContact OE1-NE 3.19Å; E163-R167 IonicContact OE1-NH2 2.93Å; E163-R167 PolarHBondContact OE1-NH2 3.27Å; E165-R167 VanDerWaalsContact C-N 3.33Å; E165-R167 PolarHBondContact O-N 3.35Å; R167-A171 WeakPolarHBondContact O-CB 3.32Å; R167-A171 PolarHBondContact O-N 3.43Å; R167-A171 VanDerWaalsContact O-N 3.12Å
168T98.8Very high97.6Very high0 Ų047.4 Ų47.40%024%0.238CC..Hα-helixtrans-63.1-50.1177.4-61.70000111F122 Y124 A164 E165 D166 Q170 A171 T184F122-T168 HydrophobicContact CD1-CG2 3.72Å; F122-T168 HydrophobicContact CE1-CG2 3.82Å; Y124-T168 HydrophobicContact CG-CG2 4.48Å; A164-T168 WeakPolarHBondContact O-CB 3.3Å; A164-T168 PolarHBondContact O-N 2.61Å; A164-T168 PolarHBondContact O-OG1 3.01Å; E165-T168 WeakPolarHBondContact O-CA 3.41Å; E165-T168 WeakPolarHBondContact O-CB 3.46Å; E165-T168 PolarHBondContact O-N 2.82Å; D166-T168 VanDerWaalsContact C-N 3.3Å; D166-T168 PolarHBondContact O-N 3.34Å; T168-Q170 VanDerWaalsContact C-N 3.32Å; T168-Q170 PolarHBondContact O-N 2.91Å; T168-A171 PolarHBondContact O-N 3.04Å; T168-T184 HydrophobicContact CG2-CG2 4.39Å; T168-T184 WeakPolarHBondContact O-CB 3.23Å; T168-T184 WeakPolarHBondContact O-CG2 3.42Å; T168-T184 PolarHBondContact O-OG1 3.38Å
169L98.6Very high97.8Very high32 Ų3250.1 Ų50.117%0.16827%0.266CS..Hα-helixtrans-66.6-36-178.2-60.5179.5000111.6E165 D166 A171 D172 A186 R255 F256E165-L169 HydrophobicContact CG-CD1 4.11Å; E165-L169 HydrophobicContact CG-CG 4.35Å; E165-L169 WeakPolarHBondContact O-CG 3.48Å; E165-L169 PolarHBondContact O-N 3.41Å; D166-L169 PolarHBondContact O-N 3.08Å; L169-A171 VanDerWaalsContact C-N 3.29Å; L169-A171 PolarHBondContact O-N 2.91Å; L169-D172 WeakPolarHBondContact O-CB 3.25Å; L169-D172 PolarHBondContact O-N 3.32Å; L169-A186 HydrophobicContact CD2-CB 4Å; L169-R255 WeakPolarHBondContact CD2-O 3.32Å; L169-F256 HydrophobicContact CD1-CB 4.45Å; L169-F256 HydrophobicContact CD1-CD1 4.27Å
170Q98.5Very high97.9Very high148 Ų14847.6 Ų47.669%0.69226%0.263SS*.Hα-helixtrans-67.5-27.5175.4-73.7168.610.300113.3D166 T168 D172D166-Q170 WeakPolarHBondContact O-CB 3.2Å; D166-Q170 WeakPolarHBondContact O-CG 3.28Å; D166-Q170 PolarHBondContact O-N 3.05Å; T168-Q170 VanDerWaalsContact C-N 3.32Å; T168-Q170 PolarHBondContact O-N 2.91Å; Q170-D172 VanDerWaalsContact C-N 3.26Å; Q170-D172 PolarHBondContact O-N 2.65Å
171A98.5Very high98Very high11 Ų1155.1 Ų55.19%0.09129%0.292CS..THydrogen-bonded Turntrans-78.5-6177.700000113.5L111 R167 T168 L169 G173 E174 L182 T184L111-A171 HydrophobicContact CD1-CB 4.32Å; L111-A171 HydrophobicContact CD2-CB 4.08Å; R167-A171 WeakPolarHBondContact O-CB 3.32Å; R167-A171 PolarHBondContact O-N 3.43Å; R167-A171 VanDerWaalsContact O-N 3.12Å; T168-A171 PolarHBondContact O-N 3.04Å; L169-A171 VanDerWaalsContact C-N 3.29Å; L169-A171 PolarHBondContact O-N 2.91Å; A171-G173 PolarHBondContact O-N 3.49Å; A171-E174 HydrophobicContact CB-CG 4.39Å; A171-E174 WeakPolarHBondContact O-CB 3.45Å; A171-E174 WeakPolarHBondContact O-CG 3.47Å; A171-E174 PolarHBondContact O-N 2.99Å; A171-L182 HydrophobicContact CB-CD2 4.18Å; A171-T184 HydrophobicContact CB-CG2 4.39Å
172D98.5Very high98Very high54 Ų5455 Ų5529%0.28929%0.291SS..THydrogen-bonded Turntrans-61.6134.7173.3-172.778.3000110.8L169 Q170 E174 S183 T184 G253 G254L169-D172 WeakPolarHBondContact O-CB 3.25Å; L169-D172 PolarHBondContact O-N 3.32Å; Q170-D172 VanDerWaalsContact C-N 3.26Å; Q170-D172 PolarHBondContact O-N 2.65Å; D172-E174 VanDerWaalsContact C-N 3.27Å; D172-E174 PolarHBondContact O-N 2.91Å; D172-S183 WeakPolarHBondContact OD1-CA 3.38Å; D172-S183 PolarHBondContact OD1-OG 2.68Å; D172-T184 PolarHBondContact OD1-N 3.04Å; D172-G253 VanDerWaalsContact CG-C 3.49Å; D172-G253 WeakPolarHBondContact OD1-CA 3.39Å; D172-G254 PolarHBondContact OD1-N 3.37Å; D172-G254 VanDerWaalsContact OD1-N 3.12Å
173G97.8Very high98.1Very high20 Ų2052.8 Ų52.821%0.20628%0.282CS..THydrogen-bonded Turntrans81.1-2.4-179.300000115A171 R181 L182A171-G173 PolarHBondContact O-N 3.49Å; G173-R181 PolarHBondContact O-NH1 3.37Å; G173-L182 WeakPolarHBondContact CA-O 3.47Å; G173-L182 PolarHBondContact N-O 2.97Å
174E98.3Very high98.1Very high97 Ų9749.9 Ų49.945%0.45327%0.269SS..PPolyproline II helixtrans-55.7143.7174.4-79.1-70.5-17900111.9I115 A171 D172 R181 L182I115-E174 HydrophobicContact CD1-CB 3.95Å; I115-E174 HydrophobicContact CD1-CG 4.19Å; I115-E174 HydrophobicContact CG1-CB 4.34Å; A171-E174 HydrophobicContact CB-CG 4.39Å; A171-E174 WeakPolarHBondContact O-CB 3.45Å; A171-E174 WeakPolarHBondContact O-CG 3.47Å; A171-E174 PolarHBondContact O-N 2.99Å; D172-E174 VanDerWaalsContact C-N 3.27Å; D172-E174 PolarHBondContact O-N 2.91Å; E174-R181 CarbonylContact O-C 3.45Å; E174-R181 WeakPolarHBondContact O-CA 3.32Å; E174-L182 HydrophobicContact CB-CB 4.38Å; E174-L182 PolarHBondContact O-N 3.24Å
175T98.3Very high98.1Very high78 Ų7849.9 Ų49.948%0.47927%0.269SS..BIsolated β-bridgetrans-83123.2-174.7-56.30000110.5
176L98.3Very high98.1Very high4 Ų449.9 Ų49.92%0.02127%0.269CS..PPolyproline II helixtrans-76.7160.6176-56179.1000110.8V119 V120 N178 G179 G180 L182V119-L176 WeakPolarHBondContact O-CD2 3.33Å; V120-L176 HydrophobicContact CG1-CD1 3.81Å; L176-N178 WeakPolarHBondContact CB-OD1 3.36Å; L176-N178 PolarHBondContact O-N 2.87Å; L176-N178 VanDerWaalsContact O-N 3.1Å; L176-G179 PolarHBondContact O-N 3.49Å; L176-G180 PolarHBondContact N-O 3.2Å; L176-L182 HydrophobicContact CD2-CB 3.94Å
177Q97.3Very high98.1Very high136 Ų13647.2 Ų47.264%0.63625%0.254SS*.THydrogen-bonded Turntrans-58.4-26.8179.6-59.5-59-50.900113.6Q116 N118 G179Q116-Q177 WeakPolarHBondContact O-CG 3.46Å; N118-Q177 WeakPolarHBondContact OD1-CA 3.45Å; N118-Q177 WeakPolarHBondContact OD1-CB 3.16Å; N118-Q177 PolarHBondContact OD1-N 3.28Å; Q177-G179 VanDerWaalsContact C-N 3.34Å
178N96.6Very high98.1Very high105 Ų10544.9 Ų44.956%0.56125%0.245SC*.THydrogen-bonded Turntrans-89.57.3177.769.11.5000114.1N118 L176 G180N118-N178 VanDerWaalsContact OD1-CG 3.31Å; N118-N178 PolarHBondContact OD1-N 3.45Å; N118-N178 PolarHBondContact OD1-OD1 3.43Å; L176-N178 WeakPolarHBondContact CB-OD1 3.36Å; L176-N178 PolarHBondContact O-N 2.87Å; L176-N178 VanDerWaalsContact O-N 3.1Å; N178-G180 VanDerWaalsContact C-N 3.26Å; N178-G180 PolarHBondContact O-N 3.43Å; N178-G180 PolarHBondContact OD1-N 2.98Å
179G96.5Very high98Very high59 Ų5945 Ų4561%0.60825%0.247SC*.SBendtrans80.4-0.6-177.500000114.9L176 Q177L176-G179 PolarHBondContact O-N 3.49Å; Q177-G179 VanDerWaalsContact C-N 3.34Å
180G96.2Very high97.9Very high28 Ų2844 Ų4429%0.28924%0.241SC..  trans-69.5-179.4167.900000112.3L176 N178L176-G180 PolarHBondContact N-O 3.2Å; N178-G180 VanDerWaalsContact C-N 3.26Å; N178-G180 PolarHBondContact O-N 3.43Å; N178-G180 PolarHBondContact OD1-N 2.98Å
181R97.5Very high97.7Very high158 Ų15838.7 Ų38.760%0.59622%0.215SC*.BIsolated β-bridgetrans-123.5133.9176.4-69.3-174.6177.9-97.12.2111.4G173 E174 R249G173-R181 PolarHBondContact O-NH1 3.37Å; E174-R181 CarbonylContact O-C 3.45Å; E174-R181 WeakPolarHBondContact O-CA 3.32Å; R181-R249 PolarHBondContact O-NH2 3.05Å
182L98.4Very high97.7Very high1 Ų139.8 Ų39.81%0.00522%0.219CC..  trans-64.2140167.1-177.360000108.6L111 C114 I115 V119 F122 A171 G173 E174 L176 T184L111-L182 HydrophobicContact CD2-CD2 4.39Å; C114-L182 HydrophobicContact CB-CD1 4.43Å; I115-L182 HydrophobicContact CG1-CD2 4.16Å; V119-L182 WeakPolarHBondContact O-CD1 3.41Å; F122-L182 HydrophobicContact CB-CD1 4.2Å; A171-L182 HydrophobicContact CB-CD2 4.18Å; G173-L182 WeakPolarHBondContact CA-O 3.47Å; G173-L182 PolarHBondContact N-O 2.97Å; E174-L182 HydrophobicContact CB-CB 4.38Å; E174-L182 PolarHBondContact O-N 3.24Å; L176-L182 HydrophobicContact CD2-CB 3.94Å; L182-T184 HydrophobicContact CD1-CG2 4.45Å; L182-T184 HydrophobicContact CD2-CG2 3.85Å; L182-T184 HydrophobicContact CG-CG2 3.79Å
183S98.5Very high97.7Very high5 Ų537.2 Ų37.24%0.03521%0.205CC..EExtended strand (participates in β ladder)trans-127.6135.1165.3-168.40000110.3V120 S121 F122 D172 L243 R249 G253V120-S183 PolarHBondContact O-N 2.92Å; S121-S183 WeakPolarHBondContact CA-O 3.31Å; F122-S183 PolarHBondContact N-O 3.44Å; D172-S183 WeakPolarHBondContact OD1-CA 3.38Å; D172-S183 PolarHBondContact OD1-OG 2.68Å; S183-L243 WeakPolarHBondContact OG-CD2 3.43Å; S183-R249 VanDerWaalsContact CB-NH2 3.27Å; S183-G253 WeakPolarHBondContact OG-CA 3.5Å
184T98.8Very high97.7Very high0 Ų036.2 Ų36.20%020%0.196CC..EExtended strand (participates in β ladder)trans-124.7153.7-172.576.60000111L111 F122 T168 A171 D172 L182 G253 G254L111-T184 HydrophobicContact CD2-CG2 4.46Å; F122-T184 HydrophobicContact CB-CG2 4.04Å; F122-T184 CarbonylContact O-C 3.58Å; F122-T184 VanDerWaalsContact O-CA 3.22Å; F122-T184 WeakPolarHBondContact O-CA 3.41Å; T168-T184 HydrophobicContact CG2-CG2 4.39Å; T168-T184 WeakPolarHBondContact O-CB 3.23Å; T168-T184 WeakPolarHBondContact O-CG2 3.42Å; T168-T184 PolarHBondContact O-OG1 3.38Å; A171-T184 HydrophobicContact CB-CG2 4.39Å; D172-T184 PolarHBondContact OD1-N 3.04Å; L182-T184 HydrophobicContact CD1-CG2 4.45Å; L182-T184 HydrophobicContact CD2-CG2 3.85Å; L182-T184 HydrophobicContact CG-CG2 3.79Å; T184-G253 CarbonylContact O-C 3.55Å; T184-G253 WeakPolarHBondContact O-CA 3.39Å; T184-G254 PolarHBondContact O-N 3.09Å
185C98.4Very high97.5Very high0 Ų032.8 Ų32.80%018%0.18CC..EExtended strand (participates in β ladder)trans-148.2158163.968.10000110.2F122 Y124 V252 R255F122-C185 PolarHBondContact O-N 3.38Å; Y124-C185 PolarHBondContact N-O 3.24Å; C185-V252 HydrophobicContact CB-CG1 4.12Å; C185-R255 CarbonylContact C-O 3.6Å; C185-R255 VanDerWaalsContact CA-O 3.29Å; C185-R255 WeakPolarHBondContact CA-O 3.3Å; C185-R255 WeakPolarHBondContact CB-O 3.38Å
186A98.8Very high97.2Very high0 Ų030.5 Ų30.50%017%0.172CC..EExtended strand (participates in β ladder)trans-117.6137.217700000111.7Y124 E165 L169 R255 F256 Y257Y124-A186 HydrophobicContact CD1-CB 4.15Å; Y124-A186 CarbonylContact O-C 3.5Å; Y124-A186 WeakPolarHBondContact O-CA 3.3Å; E165-A186 HydrophobicContact CG-CB 3.77Å; L169-A186 HydrophobicContact CD2-CB 4Å; A186-R255 PolarHBondContact N-O 2.82Å; A186-F256 HydrophobicContact CB-CB 3.96Å; A186-F256 CarbonylContact O-C 3.45Å; A186-F256 WeakPolarHBondContact O-CA 3.33Å; A186-Y257 PolarHBondContact O-N 3.13Å
187L98.8Very high97.1Very high0 Ų030.4 Ų30.40%017%0.172CC..EExtended strand (participates in β ladder)trans-112.4122.1179.3-60.3-179.6000108.7I123 Y124 S126 P189 H236 A239 Y257 L259 L341I123-L187 HydrophobicContact CG2-CD1 3.68Å; I123-L187 HydrophobicContact CG2-CG 4.13Å; Y124-L187 PolarHBondContact O-N 3.38Å; S126-L187 CarbonylContact C-O 3.5Å; S126-L187 VanDerWaalsContact CA-O 3.31Å; S126-L187 WeakPolarHBondContact CA-O 3.35Å; S126-L187 WeakPolarHBondContact CB-O 3.29Å; S126-L187 PolarHBondContact N-O 2.79Å; L187-P189 WeakPolarHBondContact O-CD 3.4Å; L187-H236 HydrophobicContact CD1-CB 4.25Å; L187-A239 HydrophobicContact CD1-CB 4.08Å; L187-A239 HydrophobicContact CD2-CB 4.31Å; L187-Y257 HydrophobicContact CD2-CD2 4.31Å; L187-L259 HydrophobicContact CB-CD1 3.73Å; L187-L259 HydrophobicContact CB-CG 4.3Å; L187-L259 HydrophobicContact CD1-CD1 4.16Å; L187-L259 HydrophobicContact CD2-CD1 4.41Å; L187-L259 HydrophobicContact CD2-CD2 4.38Å; L187-L259 HydrophobicContact CG-CD1 4.31Å; L187-L341 HydrophobicContact CD2-CD1 3.95Å
188R98.3Very high96.9Very high6 Ų634.1 Ų34.12%0.02318%0.18CC..EExtended strand (participates in β ladder)trans-104.479.6179.9-68.3-178.2-178.8175.8-1.4110V130 M131 E165 F256 Y257 Y258 L259V130-R188 VanDerWaalsContact CG2-NE 3.29Å; M131-R188 PolarHBondContact SD-NH1 2.89Å; E165-R188 IonicContact OE1-CZ 3.55Å; E165-R188 IonicContact OE1-NE 2.81Å; E165-R188 IonicContact OE1-NH2 3.92Å; E165-R188 PolarHBondContact OE1-NH2 2.92Å; E165-R188 IonicContact OE2-CZ 3.3Å; E165-R188 IonicContact OE2-NE 3.82Å; E165-R188 PolarHBondContact OE2-NE 3.17Å; E165-R188 IonicContact OE2-NH2 2.77Å; R188-F256 HydrophobicContact CG-CD2 4.45Å; R188-F256 VanDerWaalsContact CZ-CD2 3.46Å; R188-Y257 PolarHBondContact N-O 2.95Å; R188-Y258 HydrophobicContact CB-CD1 3.82Å; R188-Y258 HydrophobicContact CB-CE1 4.15Å; R188-Y258 PolarHBondContact NH1-OH 3.4Å; R188-L259 PolarHBondContact O-N 3.04Å
189P98Very high96.7Very high4 Ų433.3 Ų33.33%0.02617%0.172CC..EExtended strand (participates in β ladder)trans-61.9143.7170.728.2-34.2000111.2T125 S126 V128 L187 I192 V227 V232 L259T125-P189 HydrophobicContact CG2-CG 4.2Å; S126-P189 WeakPolarHBondContact O-CD 3.24Å; V128-P189 PolarHBondContact N-O 3.36Å; L187-P189 WeakPolarHBondContact O-CD 3.4Å; P189-I192 HydrophobicContact CB-CD1 3.83Å; P189-I192 HydrophobicContact CB-CG1 3.74Å; P189-I192 HydrophobicContact CG-CD1 3.72Å; P189-I192 HydrophobicContact CG-CG1 4.11Å; P189-V227 HydrophobicContact CB-CG1 4.06Å; P189-V232 HydrophobicContact CB-CG1 4.11Å; P189-V232 HydrophobicContact CB-CG2 4.06Å; P189-V232 HydrophobicContact CG-CG1 4.41Å; P189-L259 WeakPolarHBondContact CA-O 3.42Å; P189-L259 HydrophobicContact CB-CB 4.37Å
190T95.6Very high96.7Very high10 Ų1030.5 Ų30.56%0.06114%0.143CC..  trans-68.7-166.716260.70000109.8V128 I192 N225 V227 L259 F332V128-T190 HydrophobicContact CG1-CG2 3.81Å; T190-I192 WeakPolarHBondContact O-CG1 3.32Å; T190-I192 PolarHBondContact O-N 2.96Å; T190-N225 WeakPolarHBondContact CB-O 3.41Å; T190-N225 WeakPolarHBondContact CG2-O 3.32Å; T190-N225 PolarHBondContact OG1-O 3.46Å; T190-V227 WeakPolarHBondContact OG1-CB 3.41Å; T190-V227 WeakPolarHBondContact OG1-CG1 3.27Å; T190-V227 PolarHBondContact OG1-N 2.83Å; T190-L259 PolarHBondContact N-O 3.28Å; T190-L259 PolarHBondContact OG1-O 2.85Å; T190-F332 HydrophobicContact CG2-CD2 4.17Å
191Y94.8Very high96.7Very high36 Ų3630.7 Ų30.714%0.14114%0.137CC..SBendtrans-56.6107177.9177.1-112.7000111.3Y193 F199 P226 V227 Y268 F271Y191-Y193 PolarHBondContact O-N 3.21Å; Y191-F199 HydrophobicContact CE2-CB 4.34Å; Y191-F199 HydrophobicContact CE2-CD2 4.14Å; Y191-F199 HydrophobicContact CE2-CG 4.42Å; Y191-F199 WeakPolarHBondContact OH-CB 3.29Å; Y191-P226 HydrophobicContact CD1-CB 3.97Å; Y191-P226 HydrophobicContact CD1-CG 4.05Å; Y191-P226 CarbonylContact O-C 3.21Å; Y191-P226 VanDerWaalsContact O-CA 3.27Å; Y191-P226 WeakPolarHBondContact O-CA 3.35Å; Y191-P226 WeakPolarHBondContact O-CB 3.45Å; Y191-V227 PolarHBondContact O-N 3.1Å; Y191-Y268 HydrophobicContact CD1-CD1 4.44Å; Y191-Y268 HydrophobicContact CD1-CE1 4.26Å; Y191-Y268 HydrophobicContact CD2-CE1 4.12Å; Y191-Y268 HydrophobicContact CG-CD1 4.44Å; Y191-Y268 AromaticContact CG-CE1 3.85Å; Y191-Y268 HydrophobicContact CG-CE1 3.85Å; Y191-F271 HydrophobicContact CD1-CD1 4.49Å; Y191-F271 HydrophobicContact CD1-CE1 4.32Å; Y191-F271 HydrophobicContact CE1-CD1 4.1Å; Y191-F271 AromaticContact CE1-CE1 3.91Å; Y191-F271 HydrophobicContact CE1-CE1 3.91Å
192I97.7Very high96.5Very high34 Ų3424.8 Ų24.817%0.17413%0.125CC..EExtended strand (participates in β ladder)trans-77.1121.8-178.2-47.1179.8000109.4F16 L17 P189 T190 V227 V229 V232F16-I192 HydrophobicContact CD1-CG2 4.42Å; F16-I192 HydrophobicContact CE1-CB 4.14Å; F16-I192 HydrophobicContact CE1-CG2 3.6Å; F16-I192 HydrophobicContact CZ-CG2 4.26Å; L17-I192 HydrophobicContact CD2-CD1 4.41Å; P189-I192 HydrophobicContact CB-CD1 3.83Å; P189-I192 HydrophobicContact CB-CG1 3.74Å; P189-I192 HydrophobicContact CG-CD1 3.72Å; P189-I192 HydrophobicContact CG-CG1 4.11Å; T190-I192 WeakPolarHBondContact O-CG1 3.32Å; T190-I192 PolarHBondContact O-N 2.96Å; I192-V227 VanDerWaalsContact CA-O 3.32Å; I192-V227 WeakPolarHBondContact CA-O 3.49Å; I192-V227 HydrophobicContact CG1-CG1 4.16Å; I192-V229 HydrophobicContact CG2-CB 3.73Å; I192-V229 HydrophobicContact CG2-CG2 3.99Å; I192-V232 HydrophobicContact CD1-CG1 4.19Å; I192-V232 HydrophobicContact CD1-CG2 4.33Å; I192-V232 HydrophobicContact CG1-CG2 4.22Å; I192-V232 HydrophobicContact CG2-CG2 4.18Å
193Y98.1Very high96.3Very high0 Ų028.1 Ų28.10%014%0.141CC..EExtended strand (participates in β ladder)trans-121.2167.4175.480.8-86.1000111.5Y191 P226 V227 Y228 V229 T263 F271 L275 W349 A352 T356Y191-Y193 PolarHBondContact O-N 3.21Å; Y193-P226 HydrophobicContact CD1-CB 3.67Å; Y193-P226 HydrophobicContact CE1-CB 4.09Å; Y193-V227 VanDerWaalsContact CD1-C 3.42Å; Y193-V227 VanDerWaalsContact CD1-O 3.24Å; Y193-V227 WeakPolarHBondContact CD1-O 3.43Å; Y193-V227 VanDerWaalsContact CE1-C 3.44Å; Y193-V227 PolarHBondContact N-O 2.65Å; Y193-Y228 HydrophobicContact CD2-CD2 4.29Å; Y193-Y228 VanDerWaalsContact CE1-N 3.33Å; Y193-Y228 AromaticContact CE2-CD2 3.91Å; Y193-Y228 HydrophobicContact CE2-CD2 3.91Å; Y193-V229 PolarHBondContact O-N 2.98Å; Y193-T263 HydrophobicContact CE1-CG2 4.34Å; Y193-T263 PolarHBondContact OH-OG1 2.84Å; Y193-T263 VanDerWaalsContact OH-OG1 3.14Å; Y193-F271 HydrophobicContact CD1-CE1 4.32Å; Y193-F271 HydrophobicContact CD1-CE2 4.34Å; Y193-F271 AromaticContact CD1-CZ 3.56Å; Y193-F271 HydrophobicContact CD1-CZ 3.56Å; Y193-F271 HydrophobicContact CD2-CE1 4.34Å; Y193-F271 AromaticContact CD2-CZ 3.65Å; Y193-F271 HydrophobicContact CD2-CZ 3.65Å; Y193-F271 HydrophobicContact CE1-CE2 4.33Å; Y193-F271 AromaticContact CE1-CZ 3.93Å; Y193-F271 HydrophobicContact CE1-CZ 3.93Å; Y193-F271 HydrophobicContact CE2-CZ 4.02Å; Y193-F271 AromaticContact CG-CE1 3.93Å; Y193-F271 HydrophobicContact CG-CE1 3.93Å; Y193-F271 HydrophobicContact CG-CE2 4.5Å; Y193-F271 AromaticContact CG-CZ 3.4Å; Y193-F271 HydrophobicContact CG-CZ 3.4Å; Y193-L275 HydrophobicContact CD2-CD1 4.34Å; Y193-W349 HydrophobicContact CE2-CZ3 4.23Å; Y193-W349 AromaticContact CZ-CZ3 3.83Å; Y193-W349 VanDerWaalsContact OH-CE3 3.28Å; Y193-W349 VanDerWaalsContact OH-CZ3 3.32Å; Y193-W349 WeakPolarHBondContact OH-CZ3 3.46Å; Y193-A352 HydrophobicContact CE2-CB 4.26Å; Y193-A352 WeakPolarHBondContact OH-CB 3.48Å; Y193-T356 HydrophobicContact CD2-CG2 4.25Å
194G97.7Very high96.2Very high0 Ų027.9 Ų27.90%014%0.139CC..SBendtrans141.2-173.1176.400000113G196 C197 T356G194-G196 PolarHBondContact O-N 3.46Å; G194-C197 WeakPolarHBondContact O-CB 3.47Å; G194-C197 PolarHBondContact O-N 3.47Å; G194-T356 WeakPolarHBondContact CA-OG1 3.3Å
195D94.8Very high96.1Very high25 Ų2528 Ų2813%0.13414%0.14CC..THydrogen-bonded Turntrans-66.9114.4177.852.1-51.2000111.9F16 R20 Y228 W359F16-D195 WeakPolarHBondContact CE2-O 3.35Å; R20-D195 IonicContact CZ-OD2 3.83Å; R20-D195 IonicContact NE-OD2 3.06Å; R20-D195 IonicContact NH1-OD2 2.95Å; R20-D195 PolarHBondContact NH1-OD2 2.92Å; R20-D195 PolarHBondContact NH2-O 3.34Å; R20-D195 IonicContact NH2-OD1 3.89Å; R20-D195 IonicContact NH2-OD2 3.98Å; R20-D195 PolarHBondContact NH2-OD2 2.9Å; D195-Y228 PolarHBondContact OD1-OH 3.3Å; D195-W359 HydrophobicContact CB-CB 3.57Å; D195-W359 HydrophobicContact CB-CD2 3.94Å; D195-W359 HydrophobicContact CB-CE3 4.39Å; D195-W359 HydrophobicContact CB-CG 3.52Å
196G92.6Very high95.9Very high30 Ų3031.1 Ų31.131%0.30916%0.157SC..THydrogen-bonded Turntrans106.3-1.9-171.700000114.2F16 G194 R198 W359F16-G196 VanDerWaalsContact CD2-C 3.41Å; F16-G196 WeakPolarHBondContact CD2-O 3.18Å; G194-G196 PolarHBondContact O-N 3.46Å; G196-R198 PolarHBondContact O-N 2.92Å; G196-W359 VanDerWaalsContact N-CH2 3.34Å
197C95.8Very high95.8Very high2 Ų231.1 Ų31.11%0.01416%0.157CC..  trans-72.5110.8-178.6-1770000112.1F16 G194 F199 L200 L201 W359F16-C197 HydrophobicContact CE1-CB 4.05Å; F16-C197 HydrophobicContact CE2-CB 4.07Å; F16-C197 HydrophobicContact CZ-CB 3.66Å; G194-C197 WeakPolarHBondContact O-CB 3.47Å; G194-C197 PolarHBondContact O-N 3.47Å; C197-F199 VanDerWaalsContact C-N 3.29Å; C197-F199 PolarHBondContact O-N 3.46Å; C197-L200 HydrophobicContact CB-CB 4.37Å; C197-L200 HydrophobicContact CB-CD1 3.99Å; C197-L200 HydrophobicContact CB-CG 4.06Å; C197-L200 PolarHBondContact O-N 3.21Å; C197-L201 PolarHBondContact O-N 3.19Å; C197-W359 WeakPolarHBondContact O-CH2 3.37Å
198R93Very high95.7Very high213 Ų21332.3 Ų32.380%0.80416%0.163SC*.Hα-helixtrans-63.9-30-179.4-66.517563.2-170.6-0.7113.6G196 L201 G202G196-R198 PolarHBondContact O-N 2.92Å; R198-L201 PolarHBondContact O-N 3.16Å; R198-G202 PolarHBondContact O-N 2.9Å
199F92.9Very high95.5Very high89 Ų8939 Ų3939%0.3919%0.188SC..Hα-helixtrans-66.1-42.1177.3-63.1-65.7000111.5I88 V90 Y191 C197 L201 G202 H203I88-F199 HydrophobicContact CG2-CZ 4.32Å; V90-F199 HydrophobicContact CG2-CE1 4.37Å; Y191-F199 HydrophobicContact CE2-CB 4.34Å; Y191-F199 HydrophobicContact CE2-CD2 4.14Å; Y191-F199 HydrophobicContact CE2-CG 4.42Å; Y191-F199 WeakPolarHBondContact OH-CB 3.29Å; C197-F199 VanDerWaalsContact C-N 3.29Å; C197-F199 PolarHBondContact O-N 3.46Å; F199-L201 VanDerWaalsContact C-N 3.33Å; F199-L201 PolarHBondContact O-N 3.01Å; F199-G202 PolarHBondContact O-N 3.44Å; F199-H203 PolarHBondContact O-CD2 2.88Å; F199-H203 PolarHBondContact O-N 2.77Å
200L96.2Very high95.4Very high0 Ų041.1 Ų41.10%020%0.199CC..Hα-helixtrans-62.7-39.8174.5-64.5179.3000111.5C197 G202 H203 M204 N272 L275 M276 T356 L360C197-L200 HydrophobicContact CB-CB 4.37Å; C197-L200 HydrophobicContact CB-CD1 3.99Å; C197-L200 HydrophobicContact CB-CG 4.06Å; C197-L200 PolarHBondContact O-N 3.21Å; L200-G202 VanDerWaalsContact C-N 3.34Å; L200-G202 PolarHBondContact O-N 2.95Å; L200-H203 PolarHBondContact O-N 3.39Å; L200-M204 WeakPolarHBondContact O-CB 3.49Å; L200-M204 PolarHBondContact O-N 3.42Å; L200-N272 VanDerWaalsContact CD2-OD1 3.3Å; L200-N272 WeakPolarHBondContact CD2-OD1 3.41Å; L200-L275 HydrophobicContact CD1-CD1 3.85Å; L200-L275 HydrophobicContact CD2-CD1 3.83Å; L200-M276 HydrophobicContact CB-CE 4.33Å; L200-M276 HydrophobicContact CD2-CE 4.49Å; L200-M276 WeakPolarHBondContact O-CE 3.47Å; L200-T356 HydrophobicContact CD1-CG2 3.61Å; L200-L360 HydrophobicContact CB-CD2 4Å
201L95.6Very high95.4Very high31 Ų3149.5 Ų49.516%0.16224%0.235CC..Hα-helixtrans-63.9-39.2173.5-65178.8000112.5C197 R198 F199 M204 G205 W359 L360 Q363C197-L201 PolarHBondContact O-N 3.19Å; R198-L201 PolarHBondContact O-N 3.16Å; F199-L201 VanDerWaalsContact C-N 3.33Å; F199-L201 PolarHBondContact O-N 3.01Å; L201-M204 PolarHBondContact O-N 3.28Å; L201-G205 PolarHBondContact O-N 3.02Å; L201-W359 HydrophobicContact CD1-CH2 3.89Å; L201-W359 HydrophobicContact CD1-CZ2 3.9Å; L201-W359 HydrophobicContact CD2-CH2 3.72Å; L201-W359 HydrophobicContact CD2-CZ2 4.04Å; L201-W359 HydrophobicContact CD2-CZ3 4.29Å; L201-W359 HydrophobicContact CG-CH2 3.57Å; L201-W359 HydrophobicContact CG-CZ2 4.05Å; L201-W359 HydrophobicContact CG-CZ3 4.42Å; L201-L360 HydrophobicContact CD2-CD2 4.23Å; L201-Q363 HydrophobicContact CD2-CB 3.84Å; L201-Q363 HydrophobicContact CD2-CG 3.98Å
202G94Very high95.5Very high34 Ų3450 Ų5035%0.35124%0.24SC..Hα-helixtrans-57.7-50.2173.500000111.9R198 F199 L200 M204 G205 D206R198-G202 PolarHBondContact O-N 2.9Å; F199-G202 PolarHBondContact O-N 3.44Å; L200-G202 VanDerWaalsContact C-N 3.34Å; L200-G202 PolarHBondContact O-N 2.95Å; G202-M204 VanDerWaalsContact C-N 3.35Å; G202-M204 PolarHBondContact O-N 3.27Å; G202-G205 PolarHBondContact O-N 3.14Å; G202-D206 PolarHBondContact O-N 3.39Å
203H95Very high95.5Very high71 Ų7150.2 Ų50.233%0.32924%0.243SC..Hα-helixtrans-62.3-39.1177.2-64.9-46.7000112.9F199 L200 D206 G207 L214 N272 M276F199-H203 PolarHBondContact O-CD2 2.88Å; F199-H203 PolarHBondContact O-N 2.77Å; L200-H203 PolarHBondContact O-N 3.39Å; H203-D206 PolarHBondContact O-N 3.49Å; H203-G207 PolarHBondContact O-N 3.05Å; H203-L214 WeakPolarHBondContact O-CD2 3.45Å; H203-N272 PolarHBondContact CD2-ND2 3.43Å; H203-N272 PolarHBondContact NE2-ND2 3Å; H203-M276 HydrophobicContact CB-CE 3.9Å
204M96.3Very high95.4Very high0 Ų050.6 Ų50.60%025%0.245CC..Hα-helixtrans-62.1-46.9173.8-177.3-171.3-75.100110.7L200 L201 G202 D206 G207 I208 M276 L279 F281 L360 L364L200-M204 WeakPolarHBondContact O-CB 3.49Å; L200-M204 PolarHBondContact O-N 3.42Å; L201-M204 PolarHBondContact O-N 3.28Å; G202-M204 VanDerWaalsContact C-N 3.35Å; G202-M204 PolarHBondContact O-N 3.27Å; M204-D206 VanDerWaalsContact C-N 3.33Å; M204-D206 PolarHBondContact O-N 2.68Å; M204-G207 CarbonylContact O-C 3.58Å; M204-G207 WeakPolarHBondContact O-CA 3.45Å; M204-G207 PolarHBondContact O-N 3.01Å; M204-G207 VanDerWaalsContact O-N 3.14Å; M204-I208 HydrophobicContact CG-CD1 4Å; M204-I208 HydrophobicContact CG-CG1 4.44Å; M204-I208 WeakPolarHBondContact O-CG1 3.25Å; M204-I208 PolarHBondContact O-N 2.81Å; M204-I208 HydrophobicContact SD-CD1 4.49Å; M204-M276 HydrophobicContact CB-CE 3.93Å; M204-M276 HydrophobicContact CB-SD 4.24Å; M204-L279 HydrophobicContact CE-CD1 3.91Å; M204-F281 HydrophobicContact CG-CE1 4.35Å; M204-F281 HydrophobicContact CG-CE2 4.29Å; M204-F281 HydrophobicContact CG-CZ 3.73Å; M204-L360 HydrophobicContact CE-CB 3.5Å; M204-L360 HydrophobicContact CE-CD2 3.5Å; M204-L360 VanDerWaalsContact CE-CD2 3.5Å; M204-L360 HydrophobicContact CE-CG 4.01Å; M204-L360 VanDerWaalsContact CE-O 3.27Å; M204-L360 WeakPolarHBondContact CE-O 3.3Å; M204-L364 HydrophobicContact CE-CB 4.48Å; M204-L364 HydrophobicContact CG-CD1 4.18Å; M204-L364 HydrophobicContact SD-CB 4.16Å; M204-L364 HydrophobicContact SD-CD1 3.74Å
205G96.3Very high95.1Very high2 Ų255 Ų552%0.02126%0.264CS..Hα-helixtrans-60.2-41.3178.600000112.8L201 G202 G207 I208 R209 I371L201-G205 PolarHBondContact O-N 3.02Å; G202-G205 PolarHBondContact O-N 3.14Å; G205-G207 VanDerWaalsContact C-N 3.35Å; G205-I208 PolarHBondContact O-N 2.83Å; G205-R209 PolarHBondContact O-N 2.88Å; G205-I371 WeakPolarHBondContact O-CD1 3.49Å
206D93.7Very high95.1Very high67 Ų6754.6 Ų54.636%0.35826%0.261SS..Hα-helixtrans-65.8-38.9174.8-66.4-17.7000111.8G202 H203 M204 R209 N210G202-D206 PolarHBondContact O-N 3.39Å; H203-D206 PolarHBondContact O-N 3.49Å; M204-D206 VanDerWaalsContact C-N 3.33Å; M204-D206 PolarHBondContact O-N 2.68Å; D206-R209 PolarHBondContact O-N 2.86Å; D206-R209 IonicContact OD1-CZ 3.17Å; D206-R209 IonicContact OD1-NE 3.54Å; D206-R209 IonicContact OD1-NH2 3.54Å; D206-R209 PolarHBondContact OD1-NH2 3.28Å; D206-N210 VanDerWaalsContact O-CB 3.31Å; D206-N210 WeakPolarHBondContact O-CB 3.27Å; D206-N210 PolarHBondContact O-N 3.5Å
207G96Very high95Very high0 Ų055.7 Ų55.70%026%0.259CS..Hα-helixtrans-61.5-43.3171.600000112.8H203 M204 G205 N210 K211 N212 V213H203-G207 PolarHBondContact O-N 3.05Å; M204-G207 CarbonylContact O-C 3.58Å; M204-G207 WeakPolarHBondContact O-CA 3.45Å; M204-G207 PolarHBondContact O-N 3.01Å; M204-G207 VanDerWaalsContact O-N 3.14Å; G205-G207 VanDerWaalsContact C-N 3.35Å; G207-N210 CarbonylContact O-C 3.15Å; G207-N210 WeakPolarHBondContact O-CA 3.44Å; G207-N210 PolarHBondContact O-N 2.98Å; G207-N210 VanDerWaalsContact O-N 3.11Å; G207-K211 PolarHBondContact O-N 3.04Å; G207-N212 VanDerWaalsContact O-CA 3.23Å; G207-N212 WeakPolarHBondContact O-CA 3.34Å; G207-N212 PolarHBondContact O-N 2.7Å; G207-V213 PolarHBondContact O-N 3.39Å
208I96.7Very high95Very high24 Ų2455.6 Ų55.612%0.12326%0.258CS..Hα-helixtrans-61.6-48.8177.9-68164.2000109.8M204 G205 N210 K211 F281 L364 E367 R368 I371M204-I208 HydrophobicContact CG-CD1 4Å; M204-I208 HydrophobicContact CG-CG1 4.44Å; M204-I208 WeakPolarHBondContact O-CG1 3.25Å; M204-I208 PolarHBondContact O-N 2.81Å; M204-I208 HydrophobicContact SD-CD1 4.49Å; G205-I208 PolarHBondContact O-N 2.83Å; I208-N210 PolarHBondContact O-N 2.55Å; I208-K211 PolarHBondContact O-N 3.45Å; I208-K211 VanDerWaalsContact O-N 3.11Å; I208-F281 HydrophobicContact CG1-CE1 4.08Å; I208-F281 HydrophobicContact CG1-CZ 3.79Å; I208-L364 HydrophobicContact CD1-CD1 3.92Å; I208-L364 HydrophobicContact CG1-CD1 4.28Å; I208-E367 HydrophobicContact CD1-CB 3.88Å; I208-R368 HydrophobicContact CD1-CG 3.89Å; I208-R368 HydrophobicContact CG1-CG 4.2Å; I208-R368 HydrophobicContact CG2-CG 4.11Å; I208-I371 HydrophobicContact CB-CD1 3.73Å; I208-I371 HydrophobicContact CD1-CD1 3.99Å; I208-I371 HydrophobicContact CG1-CD1 4.47Å; I208-I371 HydrophobicContact CG2-CB 4.21Å; I208-I371 HydrophobicContact CG2-CD1 3.73Å; I208-I371 HydrophobicContact CG2-CG2 4.06Å
209R95.7Very high95.1Very high147 Ų14746.9 Ų46.956%0.55523%0.228SC*.Hα-helixtrans-57.4-31.8174.9-77.7-174.5-85.7-95.60.2112.3G205 D206 I371G205-R209 PolarHBondContact O-N 2.88Å; D206-R209 PolarHBondContact O-N 2.86Å; D206-R209 IonicContact OD1-CZ 3.17Å; D206-R209 IonicContact OD1-NE 3.54Å; D206-R209 IonicContact OD1-NH2 3.54Å; D206-R209 PolarHBondContact OD1-NH2 3.28Å; R209-I371 HydrophobicContact CG-CD1 4.4Å; R209-I371 HydrophobicContact CG-CG2 3.66Å
210N95.1Very high95.1Very high48 Ų4845.3 Ų45.326%0.25723%0.227SC..THydrogen-bonded Turntrans-99.436178.1-165.438.4000113.4D206 G207 I208 N212 V213 F215D206-N210 VanDerWaalsContact O-CB 3.31Å; D206-N210 WeakPolarHBondContact O-CB 3.27Å; D206-N210 PolarHBondContact O-N 3.5Å; G207-N210 CarbonylContact O-C 3.15Å; G207-N210 WeakPolarHBondContact O-CA 3.44Å; G207-N210 PolarHBondContact O-N 2.98Å; G207-N210 VanDerWaalsContact O-N 3.11Å; I208-N210 PolarHBondContact O-N 2.55Å; N210-N212 PolarHBondContact O-N 3.46Å; N210-V213 WeakPolarHBondContact CB-O 3.45Å; N210-V213 PolarHBondContact ND2-O 3.01Å; N210-V213 WeakPolarHBondContact O-CB 3.24Å; N210-V213 WeakPolarHBondContact O-CG2 3.3Å; N210-V213 PolarHBondContact O-N 3.19Å; N210-V213 VanDerWaalsContact O-N 3.09Å; N210-F215 HydrophobicContact CB-CE2 3.9Å; N210-F215 HydrophobicContact CB-CZ 4.01Å; N210-F215 WeakPolarHBondContact ND2-CZ 3.42Å
211K95.7Very high95.1Very high186 Ų18651.4 Ų51.481%0.80926%0.255SS*.THydrogen-bonded Turntrans57.643.4173.2-56.1179.4-179.6177.80114.2G207 I208 V213G207-K211 PolarHBondContact O-N 3.04Å; I208-K211 PolarHBondContact O-N 3.45Å; I208-K211 VanDerWaalsContact O-N 3.11Å; K211-V213 VanDerWaalsContact C-N 3.33Å
212N96.6Very high95Very high47 Ų4750 Ų5025%0.25125%0.248SC..THydrogen-bonded Turntrans62.432.5-175-48.2-57.5000113.8G207 N210 F281 S282 R368G207-N212 VanDerWaalsContact O-CA 3.23Å; G207-N212 WeakPolarHBondContact O-CA 3.34Å; G207-N212 PolarHBondContact O-N 2.7Å; N210-N212 PolarHBondContact O-N 3.46Å; N212-F281 HydrophobicContact CB-CD1 4.12Å; N212-F281 HydrophobicContact CB-CE1 4.34Å; N212-F281 HydrophobicContact CB-CG 4.42Å; N212-F281 WeakPolarHBondContact O-CA 3.35Å; N212-S282 PolarHBondContact O-N 2.7Å; N212-S282 PolarHBondContact O-OG 2.96Å; N212-R368 PolarHBondContact OD1-NH2 3.42Å; N212-R368 VanDerWaalsContact OD1-NH2 3.14Å
213V97Very high95.1Very high39 Ų3952.4 Ų52.424%0.23625%0.25CS..EExtended strand (participates in β ladder)trans-117.4115.2174.9-1730000109.9G207 N210 K211 Q284G207-V213 PolarHBondContact O-N 3.39Å; N210-V213 WeakPolarHBondContact CB-O 3.45Å; N210-V213 PolarHBondContact ND2-O 3.01Å; N210-V213 WeakPolarHBondContact O-CB 3.24Å; N210-V213 WeakPolarHBondContact O-CG2 3.3Å; N210-V213 PolarHBondContact O-N 3.19Å; N210-V213 VanDerWaalsContact O-N 3.09Å; K211-V213 VanDerWaalsContact C-N 3.33Å; V213-Q284 HydrophobicContact CG1-CG 3.92Å
214L96.3Very high95.2Very high8 Ų849.2 Ų49.24%0.04224%0.236CC..EExtended strand (participates in β ladder)trans-73.4136.2175.7-58.7175.6000110.9H203 N272 H273 M276 F281 S282 I283 Q284H203-L214 WeakPolarHBondContact O-CD2 3.45Å; L214-N272 HydrophobicContact CD1-CB 4.49Å; L214-H273 HydrophobicContact CD1-CB 4.32Å; L214-M276 HydrophobicContact CD1-CB 4.16Å; L214-M276 HydrophobicContact CD1-SD 3.91Å; L214-M276 HydrophobicContact CD2-SD 3.72Å; L214-M276 HydrophobicContact CG-SD 4.44Å; L214-F281 HydrophobicContact CD1-CB 4.39Å; L214-F281 HydrophobicContact CD2-CD1 3.96Å; L214-F281 HydrophobicContact CG-CB 4.25Å; L214-F281 HydrophobicContact CG-CD1 4.33Å; L214-S282 PolarHBondContact N-O 2.91Å; L214-I283 HydrophobicContact CB-CB 4.42Å; L214-I283 HydrophobicContact CB-CG1 4.39Å; L214-Q284 PolarHBondContact O-N 2.87Å; L214-Q284 VanDerWaalsContact O-N 3.07Å
215F92.5Very high95.1Very high91 Ų9149.9 Ų49.940%0.39924%0.239SC..  trans-71.4133.2171.2-69-74.9000110.4N210 M217 Q284 V288N210-F215 HydrophobicContact CB-CE2 3.9Å; N210-F215 HydrophobicContact CB-CZ 4.01Å; N210-F215 WeakPolarHBondContact ND2-CZ 3.42Å; F215-M217 HydrophobicContact CB-CG 4.37Å; F215-M217 HydrophobicContact CB-SD 4.25Å; F215-M217 PolarHBondContact O-N 3.27Å; F215-Q284 VanDerWaalsContact CD1-NE2 3.26Å; F215-V288 HydrophobicContact CD1-CG2 4.5Å
216R94.3Very high95.1Very high18 Ų1849.8 Ų49.87%0.06824%0.238CC..  trans-82.9115.8169.3-175.4171.8-72.8-821.4108.8S218 D270 I283 Q284 D285 L287R216-S218 VanDerWaalsContact CG-O 3.26Å; R216-S218 WeakPolarHBondContact CG-O 3.4Å; R216-D270 IonicContact CZ-OD1 3.88Å; R216-D270 VanDerWaalsContact CZ-OD1 3.23Å; R216-D270 IonicContact NH1-OD1 3.77Å; R216-D270 PolarHBondContact NH1-OD1 3.28Å; R216-D270 IonicContact NH1-OD2 3.18Å; R216-D270 PolarHBondContact NH1-OD2 3.24Å; R216-D270 IonicContact NH2-OD1 3.25Å; R216-D270 PolarHBondContact NH2-OD1 3.04Å; R216-I283 HydrophobicContact CB-CG1 4.45Å; R216-Q284 HydrophobicContact CB-CB 4.18Å; R216-Q284 PolarHBondContact NE-O 3.5Å; R216-D285 PolarHBondContact NE-O 2.82Å; R216-L287 HydrophobicContact CG-CD2 4.07Å; R216-L287 VanDerWaalsContact O-CD2 3.27Å; R216-L287 WeakPolarHBondContact O-CD2 3.47Å
217M91.4Very high95.4Very high53 Ų5346.6 Ų46.626%0.26122%0.221SC..  trans-113.4-9.7-179.3-60.7-57.8-69.900113.1F215 S269 F294 M318 L326 N327F215-M217 HydrophobicContact CB-CG 4.37Å; F215-M217 HydrophobicContact CB-SD 4.25Å; F215-M217 PolarHBondContact O-N 3.27Å; M217-S269 PolarHBondContact N-OG 3.03Å; M217-F294 HydrophobicContact CE-CE1 3.8Å; M217-F294 HydrophobicContact CE-CZ 3.84Å; M217-M318 HydrophobicContact CE-CE 3.38Å; M217-L326 HydrophobicContact CB-CD1 4.29Å; M217-N327 PolarHBondContact O-ND2 2.82Å
218S94.6Very high95.5Very high0 Ų046.8 Ų46.80%022%0.222CC..SBendtrans-128.5140.2177.659.90000111R216 S267 Y268 S269 L326 N327R216-S218 VanDerWaalsContact CG-O 3.26Å; R216-S218 WeakPolarHBondContact CG-O 3.4Å; S218-S267 WeakPolarHBondContact OG-CB 3.49Å; S218-S267 PolarHBondContact OG-OG 3.02Å; S218-Y268 PolarHBondContact OG-N 3.05Å; S218-S269 PolarHBondContact N-OG 3.3Å; S218-S269 VanDerWaalsContact OG-CB 3.26Å; S218-S269 WeakPolarHBondContact OG-CB 3.38Å; S218-S269 PolarHBondContact OG-N 3.19Å; S218-S269 PolarHBondContact OG-OG 3Å; S218-L326 WeakPolarHBondContact CB-O 3.48Å; S218-N327 VanDerWaalsContact CA-OD1 3.31Å; S218-N327 WeakPolarHBondContact CA-OD1 3.35Å
219V94.5Very high95.6Very high30 Ų3045.6 Ų45.618%0.18222%0.216CC..  trans-67.2145.5170-63.90000110.3E221 A222 S267 L287 L291 N327V219-E221 WeakPolarHBondContact CB-OE2 3.42Å; V219-E221 PolarHBondContact O-N 3.07Å; V219-E221 VanDerWaalsContact O-N 3.13Å; V219-A222 HydrophobicContact CG2-CB 3.69Å; V219-A222 WeakPolarHBondContact O-CB 3.36Å; V219-A222 PolarHBondContact O-N 2.76Å; V219-A222 VanDerWaalsContact O-N 3.1Å; V219-S267 WeakPolarHBondContact O-CB 3.44Å; V219-L287 HydrophobicContact CG1-CD1 3.63Å; V219-L287 HydrophobicContact CG1-CG 4.4Å; V219-L291 HydrophobicContact CG1-CD1 3.75Å; V219-L291 HydrophobicContact CG1-CG 4.25Å; V219-N327 PolarHBondContact N-OD1 3.17Å
220P94.5Very high95.7Very high56 Ų5639 Ų3936%0.36419%0.194SC..THydrogen-bonded Turntrans-53.9-33.1-179.2-27.535.6000114.1A222 H223P220-A222 VanDerWaalsContact C-N 3.3Å; P220-A222 PolarHBondContact O-N 3.05Å; P220-H223 PolarHBondContact O-CD2 2.93Å; P220-H223 PolarHBondContact O-NE2 2.94Å
221E94.4Very high95.9Very high127 Ų12736.7 Ų36.759%0.59318%0.181SC*.THydrogen-bonded Turntrans-76.2-14.5-176.4-56.575.7-165.100113.7V219 H223 S329V219-E221 WeakPolarHBondContact CB-OE2 3.42Å; V219-E221 PolarHBondContact O-N 3.07Å; V219-E221 VanDerWaalsContact O-N 3.13Å; E221-H223 PolarHBondContact O-N 2.77Å; E221-S329 PolarHBondContact O-OG 3.42Å
222A94.5Very high96Very high2 Ų227.9 Ų27.92%0.01714%0.143CC..  trans-7965.518000000111V219 P220 S267 S329V219-A222 HydrophobicContact CG2-CB 3.69Å; V219-A222 WeakPolarHBondContact O-CB 3.36Å; V219-A222 PolarHBondContact O-N 2.76Å; V219-A222 VanDerWaalsContact O-N 3.1Å; P220-A222 VanDerWaalsContact C-N 3.3Å; P220-A222 PolarHBondContact O-N 3.05Å; A222-S267 WeakPolarHBondContact O-CA 3.35Å; A222-S329 WeakPolarHBondContact CA-OG 3.43Å
223H96.4Very high96.1Very high84 Ų8425.7 Ų25.739%0.38913%0.132SC..  trans-67.3134.4-175.8-58.9148.6000112.7P220 E221 P265 S329 F330 T331P220-H223 PolarHBondContact O-CD2 2.93Å; P220-H223 PolarHBondContact O-NE2 2.94Å; E221-H223 PolarHBondContact O-N 2.77Å; H223-P265 HydrophobicContact CB-CB 4.26Å; H223-S329 PolarHBondContact N-OG 3.09Å; H223-S329 CarbonylContact O-C 3.41Å; H223-S329 VanDerWaalsContact O-CA 3.23Å; H223-S329 WeakPolarHBondContact O-CA 3.27Å; H223-S329 WeakPolarHBondContact O-CB 3.26Å; H223-F330 PolarHBondContact O-N 3.38Å; H223-T331 HydrophobicContact CB-CG2 4.49Å
224V95.6Very high96.2Very high4 Ų424.9 Ų24.92%0.02413%0.125CC..BIsolated β-bridgetrans-127.2158.6166.5-65.30000109.2P226 P265 M266 Y268 F330V224-P226 HydrophobicContact CG2-CG 4.34Å; V224-P226 WeakPolarHBondContact O-CD 3.46Å; V224-P265 VanDerWaalsContact O-CA 3.25Å; V224-P265 WeakPolarHBondContact O-CA 3.4Å; V224-M266 WeakPolarHBondContact CG2-O 3.27Å; V224-M266 PolarHBondContact N-O 3.1Å; V224-M266 PolarHBondContact O-N 3.33Å; V224-Y268 HydrophobicContact CB-CE2 4.32Å; V224-Y268 HydrophobicContact CG1-CD2 4.25Å; V224-Y268 HydrophobicContact CG1-CE2 3.54Å; V224-Y268 HydrophobicContact CG2-CD1 4.12Å; V224-Y268 HydrophobicContact CG2-CD2 4.05Å; V224-Y268 HydrophobicContact CG2-CE1 3.99Å; V224-Y268 HydrophobicContact CG2-CE2 3.93Å; V224-Y268 HydrophobicContact CG2-CG 4.16Å; V224-F330 WeakPolarHBondContact CA-O 3.31Å; V224-F330 HydrophobicContact CG1-CB 4.45Å
225N95.8Very high96.3Very high14 Ų1424.5 Ų24.58%0.07512%0.123CC..  trans-115.185.7174.860.1-24.7000110.9T190 S260 P265 T331 F332T190-N225 WeakPolarHBondContact CB-O 3.41Å; T190-N225 WeakPolarHBondContact CG2-O 3.32Å; T190-N225 PolarHBondContact OG1-O 3.46Å; N225-S260 WeakPolarHBondContact ND2-CB 3.17Å; N225-S260 PolarHBondContact ND2-OG 3.25Å; N225-P265 HydrophobicContact CB-CG 4.42Å; N225-T331 HydrophobicContact CB-CG2 4.31Å; N225-T331 VanDerWaalsContact OD1-CA 3.32Å; N225-T331 WeakPolarHBondContact OD1-CA 3.4Å; N225-F332 PolarHBondContact ND2-N 3.14Å; N225-F332 PolarHBondContact ND2-O 3.46Å; N225-F332 PolarHBondContact OD1-N 2.97Å
226P96.7Very high96.6Very high0 Ų020.1 Ų20.10%010%0.104CC..  trans-53.8158.9174.6-2738000112.5Y191 Y193 V224 T263 F271Y191-P226 HydrophobicContact CD1-CB 3.97Å; Y191-P226 HydrophobicContact CD1-CG 4.05Å; Y191-P226 CarbonylContact O-C 3.21Å; Y191-P226 VanDerWaalsContact O-CA 3.27Å; Y191-P226 WeakPolarHBondContact O-CA 3.35Å; Y191-P226 WeakPolarHBondContact O-CB 3.45Å; Y193-P226 HydrophobicContact CD1-CB 3.67Å; Y193-P226 HydrophobicContact CE1-CB 4.09Å; V224-P226 HydrophobicContact CG2-CG 4.34Å; V224-P226 WeakPolarHBondContact O-CD 3.46Å; P226-T263 HydrophobicContact CB-CG2 4.32Å; P226-T263 WeakPolarHBondContact O-CB 3.48Å; P226-F271 HydrophobicContact CB-CD2 4.4Å; P226-F271 HydrophobicContact CB-CE1 4.27Å; P226-F271 HydrophobicContact CB-CE2 3.95Å; P226-F271 HydrophobicContact CB-CZ 3.88Å; P226-F271 HydrophobicContact CG-CD1 4.19Å; P226-F271 HydrophobicContact CG-CD2 3.79Å; P226-F271 HydrophobicContact CG-CE1 4.24Å; P226-F271 HydrophobicContact CG-CE2 3.85Å; P226-F271 HydrophobicContact CG-CG 3.96Å; P226-F271 HydrophobicContact CG-CZ 4.08Å
227V98.1Very high96.8Very high0 Ų019.3 Ų19.30%010%0.101CC..EExtended strand (participates in β ladder)trans-128.4135179.562.90000110.5P189 T190 Y191 I192 Y193 N231 V232 D261P189-V227 HydrophobicContact CB-CG1 4.06Å; T190-V227 WeakPolarHBondContact OG1-CB 3.41Å; T190-V227 WeakPolarHBondContact OG1-CG1 3.27Å; T190-V227 PolarHBondContact OG1-N 2.83Å; Y191-V227 PolarHBondContact O-N 3.1Å; I192-V227 VanDerWaalsContact CA-O 3.32Å; I192-V227 WeakPolarHBondContact CA-O 3.49Å; I192-V227 HydrophobicContact CG1-CG1 4.16Å; Y193-V227 VanDerWaalsContact CD1-C 3.42Å; Y193-V227 VanDerWaalsContact CD1-O 3.24Å; Y193-V227 WeakPolarHBondContact CD1-O 3.43Å; Y193-V227 VanDerWaalsContact CE1-C 3.44Å; Y193-V227 PolarHBondContact N-O 2.65Å; V227-N231 HydrophobicContact CG2-CB 4.29Å; V227-V232 HydrophobicContact CB-CG2 4.15Å; V227-V232 HydrophobicContact CG1-CG2 3.43Å; V227-V232 VanDerWaalsContact CG1-CG2 3.43Å; V227-V232 HydrophobicContact CG2-CG2 3.63Å; V227-D261 HydrophobicContact CG2-CB 4.21Å
228Y98.7Very high97.1Very high4 Ų418.2 Ų18.22%0.01610%0.095CC..EExtended strand (participates in β ladder)trans-70.7135.7179.3-177.9-120.8000110.9Y193 D195 G230 N231 V232 D261 Y347 A352Y193-Y228 HydrophobicContact CD2-CD2 4.29Å; Y193-Y228 VanDerWaalsContact CE1-N 3.33Å; Y193-Y228 AromaticContact CE2-CD2 3.91Å; Y193-Y228 HydrophobicContact CE2-CD2 3.91Å; D195-Y228 PolarHBondContact OD1-OH 3.3Å; Y228-G230 PolarHBondContact O-N 3.01Å; Y228-G230 VanDerWaalsContact O-N 3.12Å; Y228-N231 WeakPolarHBondContact O-CA 3.08Å; Y228-N231 WeakPolarHBondContact O-CB 3.15Å; Y228-N231 PolarHBondContact O-N 2.99Å; Y228-V232 PolarHBondContact O-N 3.29Å; Y228-D261 PolarHBondContact N-OD2 3.43Å; Y228-Y347 AromaticContact CD1-CD2 3.77Å; Y228-Y347 HydrophobicContact CD1-CD2 3.77Å; Y228-Y347 AromaticContact CD1-CG 3.76Å; Y228-Y347 HydrophobicContact CD1-CG 3.76Å; Y228-Y347 HydrophobicContact CE1-CD1 4.06Å; Y228-Y347 AromaticContact CE1-CD2 3.75Å; Y228-Y347 HydrophobicContact CE1-CD2 3.75Å; Y228-Y347 HydrophobicContact CE1-CE1 4.49Å; Y228-Y347 HydrophobicContact CE1-CE2 4.2Å; Y228-Y347 AromaticContact CE1-CG 3.67Å; Y228-Y347 HydrophobicContact CE1-CG 3.67Å; Y228-A352 HydrophobicContact CD1-CB 3.93Å; Y228-A352 HydrophobicContact CD2-CB 3.71Å; Y228-A352 HydrophobicContact CE1-CB 4.46Å; Y228-A352 HydrophobicContact CE2-CB 4.28Å; Y228-A352 HydrophobicContact CG-CB 3.53Å
229V98.6Very high97.3Very high0 Ų018.2 Ų18.20%010%0.095CC..Hα-helixtrans-55.3-34.8-177.666.90000113.2F16 L17 R20 I192 Y193 N231 V232 A233F16-V229 HydrophobicContact CD1-CG2 4.28Å; F16-V229 HydrophobicContact CD2-CG2 4.28Å; F16-V229 HydrophobicContact CE1-CB 4.03Å; F16-V229 HydrophobicContact CE1-CG2 3.93Å; F16-V229 HydrophobicContact CE2-CB 3.97Å; F16-V229 HydrophobicContact CE2-CG1 3.89Å; F16-V229 HydrophobicContact CE2-CG2 3.9Å; F16-V229 HydrophobicContact CG-CG2 4.45Å; F16-V229 HydrophobicContact CZ-CB 3.52Å; F16-V229 HydrophobicContact CZ-CG1 3.84Å; F16-V229 HydrophobicContact CZ-CG2 3.72Å; L17-V229 HydrophobicContact CB-CG2 4.33Å; L17-V229 HydrophobicContact CD1-CG2 3.89Å; R20-V229 HydrophobicContact CB-CG2 4.36Å; R20-V229 HydrophobicContact CG-CG1 4.1Å; R20-V229 HydrophobicContact CG-CG2 3.89Å; I192-V229 HydrophobicContact CG2-CB 3.73Å; I192-V229 HydrophobicContact CG2-CG2 3.99Å; Y193-V229 PolarHBondContact O-N 2.98Å; V229-N231 VanDerWaalsContact C-N 3.34Å; V229-V232 PolarHBondContact O-N 3Å; V229-A233 WeakPolarHBondContact O-CB 3.41Å; V229-A233 PolarHBondContact O-N 3.05Å
230G98.3Very high97.4Very high8 Ų816.8 Ų16.88%0.0829%0.086CC..Hα-helixtrans-66-35.6175.500000113Y228 F234Y228-G230 PolarHBondContact O-N 3.01Å; Y228-G230 VanDerWaalsContact O-N 3.12Å; G230-F234 WeakPolarHBondContact O-CB 3.5Å; G230-F234 PolarHBondContact O-N 3.13Å
231N98.6Very high97.6Very high0 Ų016.5 Ų16.50%08%0.078CC..Hα-helixtrans-70.6-40.2175-71.5-25.2000111.1V227 Y228 V229 F234 A235 D261 Y343 R346 Y347V227-N231 HydrophobicContact CG2-CB 4.29Å; Y228-N231 WeakPolarHBondContact O-CA 3.08Å; Y228-N231 WeakPolarHBondContact O-CB 3.15Å; Y228-N231 PolarHBondContact O-N 2.99Å; V229-N231 VanDerWaalsContact C-N 3.34Å; N231-F234 PolarHBondContact O-N 3.46Å; N231-A235 PolarHBondContact O-N 3.24Å; N231-D261 PolarHBondContact ND2-OD2 3.02Å; N231-Y343 WeakPolarHBondContact O-CE2 3.46Å; N231-R346 PolarHBondContact OD1-N 2.7Å; N231-Y347 PolarHBondContact ND2-O 2.87Å; N231-Y347 WeakPolarHBondContact OD1-CD2 3.47Å; N231-Y347 PolarHBondContact OD1-N 3.41Å
232V98.7Very high97.8Very high0 Ų010.7 Ų10.70%05%0.051CC..Hα-helixtrans-62.9-44.1174.1-176.30000111.5L17 P189 I192 V227 Y228 V229 F234 A235 H236 L259L17-V232 HydrophobicContact CD1-CB 3.9Å; L17-V232 HydrophobicContact CD1-CG1 3.76Å; L17-V232 HydrophobicContact CD2-CG1 3.73Å; L17-V232 HydrophobicContact CG-CG1 4.42Å; P189-V232 HydrophobicContact CB-CG1 4.11Å; P189-V232 HydrophobicContact CB-CG2 4.06Å; P189-V232 HydrophobicContact CG-CG1 4.41Å; I192-V232 HydrophobicContact CD1-CG1 4.19Å; I192-V232 HydrophobicContact CD1-CG2 4.33Å; I192-V232 HydrophobicContact CG1-CG2 4.22Å; I192-V232 HydrophobicContact CG2-CG2 4.18Å; V227-V232 HydrophobicContact CB-CG2 4.15Å; V227-V232 HydrophobicContact CG1-CG2 3.43Å; V227-V232 VanDerWaalsContact CG1-CG2 3.43Å; V227-V232 HydrophobicContact CG2-CG2 3.63Å; Y228-V232 PolarHBondContact O-N 3.29Å; V229-V232 PolarHBondContact O-N 3Å; V232-F234 VanDerWaalsContact C-N 3.3Å; V232-F234 PolarHBondContact O-N 3.29Å; V232-A235 WeakPolarHBondContact O-CB 3.41Å; V232-A235 PolarHBondContact O-N 3.17Å; V232-H236 PolarHBondContact O-N 3.06Å; V232-H236 VanDerWaalsContact O-N 3.11Å; V232-H236 PolarHBondContact O-ND1 3.27Å; V232-L259 HydrophobicContact CG1-CD1 4.12Å
233A98.6Very high97.9Very high2 Ų210.6 Ų10.62%0.0175%0.05CC..Hα-helixtrans-60.3-42.1175.600000111.4L17 R20 L21 L24 V229 A235 H236 L237L17-A233 HydrophobicContact CD1-CB 4.05Å; R20-A233 HydrophobicContact CB-CB 4.1Å; L21-A233 HydrophobicContact CB-CB 4.33Å; L21-A233 WeakPolarHBondContact CD1-O 3.34Å; L24-A233 HydrophobicContact CD2-CB 4.17Å; V229-A233 WeakPolarHBondContact O-CB 3.41Å; V229-A233 PolarHBondContact O-N 3.05Å; A233-A235 PolarHBondContact O-N 2.89Å; A233-H236 WeakPolarHBondContact O-CB 3.49Å; A233-H236 PolarHBondContact O-N 2.92Å; A233-L237 PolarHBondContact O-N 2.72Å; A233-L237 VanDerWaalsContact O-N 3.15Å
234F98.4Very high97.8Very high21 Ų219.3 Ų9.39%0.0924%0.044CC..Hα-helixtrans-63.4-38.9175.7-173.1-116000112.8L24 G230 N231 V232 H236 L237 Q238 Y343 V344 R346L24-F234 HydrophobicContact CD2-CB 4.31Å; L24-F234 HydrophobicContact CD2-CD2 4.39Å; G230-F234 WeakPolarHBondContact O-CB 3.5Å; G230-F234 PolarHBondContact O-N 3.13Å; N231-F234 PolarHBondContact O-N 3.46Å; V232-F234 VanDerWaalsContact C-N 3.3Å; V232-F234 PolarHBondContact O-N 3.29Å; F234-H236 VanDerWaalsContact C-N 3.32Å; F234-H236 PolarHBondContact O-N 3.43Å; F234-L237 WeakPolarHBondContact O-CB 3.31Å; F234-L237 PolarHBondContact O-N 3.4Å; F234-Q238 HydrophobicContact CD1-CG 4.23Å; F234-Q238 HydrophobicContact CE1-CG 3.86Å; F234-Q238 HydrophobicContact CE2-CG 4.22Å; F234-Q238 HydrophobicContact CZ-CG 3.85Å; F234-Q238 WeakPolarHBondContact O-CG 3.37Å; F234-Q238 PolarHBondContact O-N 3.1Å; F234-Y343 HydrophobicContact CD1-CD2 4.4Å; F234-V344 WeakPolarHBondContact CD1-O 3.45Å; F234-V344 WeakPolarHBondContact CE1-O 3.31Å; F234-R346 HydrophobicContact CD1-CB 4.09Å; F234-R346 HydrophobicContact CG-CB 4.23Å
235A98.6Very high97.9Very high0 Ų010.5 Ų10.50%05%0.05CC..Hα-helixtrans-61.4-38.7173.800000112.7N231 V232 A233 Q238 A239 L259 Y343N231-A235 PolarHBondContact O-N 3.24Å; V232-A235 WeakPolarHBondContact O-CB 3.41Å; V232-A235 PolarHBondContact O-N 3.17Å; A233-A235 PolarHBondContact O-N 2.89Å; A235-Q238 PolarHBondContact O-N 3.48Å; A235-A239 WeakPolarHBondContact O-CB 3.34Å; A235-A239 PolarHBondContact O-N 2.95Å; A235-L259 HydrophobicContact CB-CD1 3.48Å; A235-L259 VanDerWaalsContact CB-CD1 3.48Å; A235-L259 HydrophobicContact CB-CD2 3.62Å; A235-L259 HydrophobicContact CB-CG 4.16Å; A235-Y343 HydrophobicContact CB-CD2 3.6Å; A235-Y343 HydrophobicContact CB-CE2 3.76Å; A235-Y343 HydrophobicContact CB-CG 4.26Å
236H98.8Very high97.7Very high0 Ų014.1 Ų14.10%07%0.074CC..Hα-helixtrans-61.9-45174.9-74.267.5000111.2L21 F82 T125 L187 V232 A233 F234 Q238 A239 A240L21-H236 HydrophobicContact CD1-CB 3.97Å; L21-H236 HydrophobicContact CD2-CB 4.03Å; F82-H236 HydrophobicContact CD1-CB 4.13Å; F82-H236 HydrophobicContact CE1-CB 4.31Å; F82-H236 WeakPolarHBondContact CE1-O 3.47Å; T125-H236 PolarHBondContact OG1-NE2 2.63Å; L187-H236 HydrophobicContact CD1-CB 4.25Å; V232-H236 PolarHBondContact O-N 3.06Å; V232-H236 VanDerWaalsContact O-N 3.11Å; V232-H236 PolarHBondContact O-ND1 3.27Å; A233-H236 WeakPolarHBondContact O-CB 3.49Å; A233-H236 PolarHBondContact O-N 2.92Å; F234-H236 VanDerWaalsContact C-N 3.32Å; F234-H236 PolarHBondContact O-N 3.43Å; H236-Q238 PolarHBondContact O-N 2.77Å; H236-A239 WeakPolarHBondContact O-CB 3.36Å; H236-A239 PolarHBondContact O-N 3.03Å; H236-A240 PolarHBondContact O-N 2.86Å
237L98.4Very high97.6Very high0 Ų022.6 Ų22.60%011%0.114CC..Hα-helixtrans-58.8-47.8174.7178.554.9000111.5L3 L24 L25 E28 E29 A233 F234 A239 A240 R241L3-L237 HydrophobicContact CD1-CD1 3.88Å; L3-L237 HydrophobicContact CG-CD1 4.43Å; L24-L237 HydrophobicContact CD2-CB 4.11Å; L24-L237 HydrophobicContact CD2-CD2 4.04Å; L24-L237 HydrophobicContact CG-CD2 4.12Å; L25-L237 HydrophobicContact CD2-CD1 3.77Å; E28-L237 HydrophobicContact CB-CD2 4.17Å; E29-L237 HydrophobicContact CG-CD1 3.76Å; E29-L237 WeakPolarHBondContact OE1-CD1 3.09Å; A233-L237 PolarHBondContact O-N 2.72Å; A233-L237 VanDerWaalsContact O-N 3.15Å; F234-L237 WeakPolarHBondContact O-CB 3.31Å; F234-L237 PolarHBondContact O-N 3.4Å; L237-A239 VanDerWaalsContact C-N 3.31Å; L237-A239 PolarHBondContact O-N 3.27Å; L237-A240 PolarHBondContact O-N 3.15Å; L237-R241 HydrophobicContact CD1-CG 4.13Å; L237-R241 HydrophobicContact CG-CG 4.43Å; L237-R241 VanDerWaalsContact O-CG 3.27Å; L237-R241 WeakPolarHBondContact O-CG 3.32Å; L237-R241 PolarHBondContact O-N 3.35Å
238Q98Very high97.5Very high30 Ų3026 Ų2614%0.1413%0.129CC..Hα-helixtrans-63-36.5178.9-67.9-6885.600112.6F234 A235 H236 R241 S242 L341 G342F234-Q238 HydrophobicContact CD1-CG 4.23Å; F234-Q238 HydrophobicContact CE1-CG 3.86Å; F234-Q238 HydrophobicContact CE2-CG 4.22Å; F234-Q238 HydrophobicContact CZ-CG 3.85Å; F234-Q238 WeakPolarHBondContact O-CG 3.37Å; F234-Q238 PolarHBondContact O-N 3.1Å; A235-Q238 PolarHBondContact O-N 3.48Å; H236-Q238 PolarHBondContact O-N 2.77Å; Q238-R241 PolarHBondContact O-N 2.86Å; Q238-S242 WeakPolarHBondContact O-CB 3.45Å; Q238-S242 PolarHBondContact O-N 3.48Å; Q238-S242 PolarHBondContact O-OG 2.7Å; Q238-L341 HydrophobicContact CB-CB 4.5Å; Q238-G342 PolarHBondContact NE2-O 3.3Å
239A98.5Very high97.4Very high0 Ų027.9 Ų27.90%014%0.136CC..Hα-helixtrans-62-48.2173.200000111.5I123 L187 A235 H236 L237 R241 S242 L243 L341I123-A239 HydrophobicContact CG1-CB 4.24Å; I123-A239 HydrophobicContact CG2-CB 4.17Å; L187-A239 HydrophobicContact CD1-CB 4.08Å; L187-A239 HydrophobicContact CD2-CB 4.31Å; A235-A239 WeakPolarHBondContact O-CB 3.34Å; A235-A239 PolarHBondContact O-N 2.95Å; H236-A239 WeakPolarHBondContact O-CB 3.36Å; H236-A239 PolarHBondContact O-N 3.03Å; L237-A239 VanDerWaalsContact C-N 3.31Å; L237-A239 PolarHBondContact O-N 3.27Å; A239-R241 PolarHBondContact O-N 2.78Å; A239-S242 PolarHBondContact O-N 3.25Å; A239-S242 VanDerWaalsContact O-N 3.15Å; A239-L243 WeakPolarHBondContact O-CG 3.18Å; A239-L243 PolarHBondContact O-N 3.18Å; A239-L341 HydrophobicContact CB-CD1 4.25Å
240A98.3Very high97.2Very high0 Ų034.9 Ų34.90%017%0.173CC..Hα-helixtrans-61.7-43.4176.700000112.7L3 T80 F82 I123 H236 L237 S242 L243 K244L3-A240 HydrophobicContact CD1-CB 4.1Å; L3-A240 HydrophobicContact CD2-CB 4.19Å; T80-A240 HydrophobicContact CG2-CB 4.01Å; F82-A240 HydrophobicContact CE1-CB 3.51Å; F82-A240 HydrophobicContact CZ-CB 3.44Å; F82-A240 VanDerWaalsContact CZ-CB 3.44Å; I123-A240 HydrophobicContact CD1-CB 3.84Å; I123-A240 HydrophobicContact CG1-CB 4.41Å; H236-A240 PolarHBondContact O-N 2.86Å; L237-A240 PolarHBondContact O-N 3.15Å; A240-S242 PolarHBondContact O-N 3.49Å; A240-L243 PolarHBondContact O-N 3.43Å; A240-K244 WeakPolarHBondContact O-CB 3.4Å; A240-K244 PolarHBondContact O-N 2.84Å
241R97.7Very high97Very high50 Ų5036.5 Ų36.519%0.18919%0.185CC..Hα-helixtrans-61.3-32.4175.8-69.1-179.5168.1168.1-4.5112.7M1 E29 L237 Q238 A239 D245M1-R241 PolarHBondContact N-O 2.85Å; M1-R241 WeakPolarHBondContact O-CB 3.47Å; M1-R241 WeakPolarHBondContact O-CG 3.4Å; E29-R241 IonicContact OE1-CZ 3.3Å; E29-R241 IonicContact OE1-NE 3.09Å; E29-R241 PolarHBondContact OE1-NE 2.73Å; E29-R241 IonicContact OE1-NH2 2.86Å; E29-R241 PolarHBondContact OE1-NH2 2.97Å; L237-R241 HydrophobicContact CD1-CG 4.13Å; L237-R241 HydrophobicContact CG-CG 4.43Å; L237-R241 VanDerWaalsContact O-CG 3.27Å; L237-R241 WeakPolarHBondContact O-CG 3.32Å; L237-R241 PolarHBondContact O-N 3.35Å; Q238-R241 PolarHBondContact O-N 2.86Å; A239-R241 PolarHBondContact O-N 2.78Å; R241-D245 PolarHBondContact O-N 3.18Å
242S97.9Very high96.9Very high5 Ų536.5 Ų36.54%0.03519%0.186CC..Hα-helixtrans-80.9-39178.9-59.70000112.3Q238 A239 A240 K244 D245 R249 L341Q238-S242 WeakPolarHBondContact O-CB 3.45Å; Q238-S242 PolarHBondContact O-N 3.48Å; Q238-S242 PolarHBondContact O-OG 2.7Å; A239-S242 PolarHBondContact O-N 3.25Å; A239-S242 VanDerWaalsContact O-N 3.15Å; A240-S242 PolarHBondContact O-N 3.49Å; S242-K244 VanDerWaalsContact C-N 3.28Å; S242-K244 PolarHBondContact O-N 3.38Å; S242-D245 PolarHBondContact O-N 2.93Å; S242-R249 PolarHBondContact O-N 3.4Å; S242-L341 PolarHBondContact OG-O 3Å
243L97.3Very high96.9Very high0 Ų037 Ų370%019%0.19CC..Hα-helixtrans-64.7-33.2172-71.5-176.6000112.2I123 S183 A239 A240 D245 R249 V252I123-L243 HydrophobicContact CD1-CD1 4.07Å; I123-L243 HydrophobicContact CG1-CD1 4.01Å; S183-L243 WeakPolarHBondContact OG-CD2 3.43Å; A239-L243 WeakPolarHBondContact O-CG 3.18Å; A239-L243 PolarHBondContact O-N 3.18Å; A240-L243 PolarHBondContact O-N 3.43Å; L243-D245 VanDerWaalsContact C-N 3.33Å; L243-R249 WeakPolarHBondContact O-CD 3.03Å; L243-R249 WeakPolarHBondContact O-CG 3.28Å; L243-R249 PolarHBondContact O-NH1 3.05Å; L243-V252 HydrophobicContact CD2-CB 4.12Å; L243-V252 HydrophobicContact CD2-CG1 3.71Å; L243-V252 HydrophobicContact CG-CG1 4.23Å
244K95.4Very high96.8Very high58 Ų5838.1 Ų38.125%0.25220%0.203SC..Hα-helixtrans-71.5-27.9174.7-173.7171.5-176.11740113M1 S2 L3 D6 A240 S242 P246M1-K244 HydrophobicContact CB-CG 4.45Å; S2-K244 WeakPolarHBondContact O-CD 3.15Å; S2-K244 WeakPolarHBondContact O-CE 3.3Å; S2-K244 PolarHBondContact O-NZ 2.9Å; L3-K244 HydrophobicContact CD2-CD 3.94Å; D6-K244 IonicContact OD1-NZ 2.74Å; D6-K244 PolarHBondContact OD1-NZ 3.21Å; D6-K244 WeakPolarHBondContact OD2-CD 3.26Å; D6-K244 WeakPolarHBondContact OD2-CE 3.45Å; D6-K244 IonicContact OD2-NZ 2.74Å; D6-K244 PolarHBondContact OD2-NZ 3.16Å; A240-K244 WeakPolarHBondContact O-CB 3.4Å; A240-K244 PolarHBondContact O-N 2.84Å; S242-K244 VanDerWaalsContact C-N 3.28Å; S242-K244 PolarHBondContact O-N 3.38Å; K244-P246 WeakPolarHBondContact O-CD 3.48Å
245D96Very high96.8Very high28 Ų2842 Ų4215%0.1522%0.217CC..SBendtrans-78115-177.7-169-35000110.9M1 R241 S242 L243 Q247 K248 R249M1-D245 HydrophobicContact CG-CB 4.18Å; R241-D245 PolarHBondContact O-N 3.18Å; S242-D245 PolarHBondContact O-N 2.93Å; L243-D245 VanDerWaalsContact C-N 3.33Å; D245-Q247 PolarHBondContact O-N 3.11Å; D245-Q247 WeakPolarHBondContact OD1-CB 3.28Å; D245-Q247 PolarHBondContact OD1-N 3.43Å; D245-K248 HydrophobicContact CB-CB 4.22Å; D245-K248 HydrophobicContact CB-CG 4.45Å; D245-K248 PolarHBondContact O-N 2.99Å; D245-R249 VanDerWaalsContact O-CB 3.3Å; D245-R249 WeakPolarHBondContact O-CB 3.45Å; D245-R249 PolarHBondContact O-N 3.46Å
246P93.3Very high96.8Very high90 Ų9044.1 Ų44.158%0.58423%0.226SC*.THydrogen-bonded Turntrans-57.9-26.3-177.9-24.535.4000114.1M1 K244M1-P246 HydrophobicContact CE-CG 4.3Å; K244-P246 WeakPolarHBondContact O-CD 3.48Å
247Q94.1Very high96.8Very high178 Ų17844.1 Ų44.183%0.83223%0.226SC*.THydrogen-bonded Turntrans-77.7-31.4179.5-62-175.5-9.700112.2D245D245-Q247 PolarHBondContact O-N 3.11Å; D245-Q247 WeakPolarHBondContact OD1-CB 3.28Å; D245-Q247 PolarHBondContact OD1-N 3.43Å
248K95.8Very high96.8Very high72 Ų7244.2 Ų44.231%0.31323%0.226SC..THydrogen-bonded Turntrans-97.6-24.3-178.7-64.3-168.5166.7-150.90113.5D245 N250 A251 V252 D340D245-K248 HydrophobicContact CB-CB 4.22Å; D245-K248 HydrophobicContact CB-CG 4.45Å; D245-K248 PolarHBondContact O-N 2.99Å; K248-N250 VanDerWaalsContact C-N 3.33Å; K248-N250 PolarHBondContact O-N 3.33Å; K248-A251 WeakPolarHBondContact O-CA 3.33Å; K248-A251 WeakPolarHBondContact O-CB 3.17Å; K248-A251 PolarHBondContact O-N 3.35Å; K248-V252 HydrophobicContact CB-CG2 4.48Å; K248-V252 PolarHBondContact O-N 3.25Å; K248-D340 PolarHBondContact NZ-O 3.45Å; K248-D340 VanDerWaalsContact NZ-O 3.14Å
249R95.7Very high96.8Very high44 Ų4442.8 Ų42.817%0.16622%0.219CC..Hα-helixtrans-49.3-49.2-172.5-176.5175.3-177.585.6-2113.3V120 S121 R181 S183 S242 L243 D245 A251 V252 G253V120-R249 PolarHBondContact O-NH1 3.03Å; V120-R249 PolarHBondContact O-NH2 2.99Å; S121-R249 PolarHBondContact OG-NH1 3.31Å; R181-R249 PolarHBondContact O-NH2 3.05Å; S183-R249 VanDerWaalsContact CB-NH2 3.27Å; S242-R249 PolarHBondContact O-N 3.4Å; L243-R249 WeakPolarHBondContact O-CD 3.03Å; L243-R249 WeakPolarHBondContact O-CG 3.28Å; L243-R249 PolarHBondContact O-NH1 3.05Å; D245-R249 VanDerWaalsContact O-CB 3.3Å; D245-R249 WeakPolarHBondContact O-CB 3.45Å; D245-R249 PolarHBondContact O-N 3.46Å; R249-A251 VanDerWaalsContact C-N 3.31Å; R249-A251 PolarHBondContact O-N 3.2Å; R249-V252 PolarHBondContact O-N 2.78Å; R249-G253 WeakPolarHBondContact O-CA 3.39Å; R249-G253 PolarHBondContact O-N 3.23Å
250N94.5Very high96.7Very high147 Ų14742.9 Ų42.979%0.78622%0.22SC*.Hα-helixtrans-70.9-25.6-179.6-65.6-18.6000113.5K248K248-N250 VanDerWaalsContact C-N 3.33Å; K248-N250 PolarHBondContact O-N 3.33Å
251A94.6Very high96.7Very high41 Ų4143.3 Ų43.334%0.33922%0.223SC..Hα-helixtrans-78.9-28.5177.200000111.9K248 R249 R255K248-A251 WeakPolarHBondContact O-CA 3.33Å; K248-A251 WeakPolarHBondContact O-CB 3.17Å; K248-A251 PolarHBondContact O-N 3.35Å; R249-A251 VanDerWaalsContact C-N 3.31Å; R249-A251 PolarHBondContact O-N 3.2Å; A251-R255 WeakPolarHBondContact O-CD 3.24Å; A251-R255 PolarHBondContact O-NE 3.5Å; A251-R255 PolarHBondContact O-NH1 2.97Å
252V97.1Very high96.6Very high1 Ų145.6 Ų45.61%0.00624%0.238CC..Hα-helixtrans-96.4-33.1-177.6176.60000112.8C185 L243 K248 R249 R255 Y257 D340 L341C185-V252 HydrophobicContact CB-CG1 4.12Å; L243-V252 HydrophobicContact CD2-CB 4.12Å; L243-V252 HydrophobicContact CD2-CG1 3.71Å; L243-V252 HydrophobicContact CG-CG1 4.23Å; K248-V252 HydrophobicContact CB-CG2 4.48Å; K248-V252 PolarHBondContact O-N 3.25Å; R249-V252 PolarHBondContact O-N 2.78Å; V252-R255 WeakPolarHBondContact O-CB 3.36Å; V252-R255 PolarHBondContact O-N 2.93Å; V252-Y257 HydrophobicContact CG1-CE2 4.06Å; V252-D340 HydrophobicContact CG2-CB 4.26Å; V252-L341 HydrophobicContact CB-CD2 4.24Å; V252-L341 HydrophobicContact CG1-CD2 3.42Å; V252-L341 VanDerWaalsContact CG1-CD2 3.42Å; V252-L341 HydrophobicContact CG2-CD2 3.71Å
253G97.6Very high96.6Very high9 Ų945.4 Ų45.49%0.09324%0.237CC..THydrogen-bonded Turntrans-56.3135.9-179.900000112.6D172 S183 T184 R249 R255D172-G253 VanDerWaalsContact CG-C 3.49Å; D172-G253 WeakPolarHBondContact OD1-CA 3.39Å; S183-G253 WeakPolarHBondContact OG-CA 3.5Å; T184-G253 CarbonylContact O-C 3.55Å; T184-G253 WeakPolarHBondContact O-CA 3.39Å; R249-G253 WeakPolarHBondContact O-CA 3.39Å; R249-G253 PolarHBondContact O-N 3.23Å; G253-R255 PolarHBondContact O-N 3.25Å
254G98Very high96.5Very high27 Ų2747.9 Ų47.928%0.27825%0.253SS..THydrogen-bonded Turntrans70.513.9178.100000114.2D172 T184D172-G254 PolarHBondContact OD1-N 3.37Å; D172-G254 VanDerWaalsContact OD1-N 3.12Å; T184-G254 PolarHBondContact O-N 3.09Å
255R98.3Very high96.6Very high103 Ų10348.8 Ų48.839%0.38927%0.265SS..EExtended strand (participates in β ladder)trans-111.6158.3-179.7-58.8-167179.9-176.2-1.6113.3L169 C185 A186 A251 V252 G253 Y257 D340L169-R255 WeakPolarHBondContact CD2-O 3.32Å; C185-R255 CarbonylContact C-O 3.6Å; C185-R255 VanDerWaalsContact CA-O 3.29Å; C185-R255 WeakPolarHBondContact CA-O 3.3Å; C185-R255 WeakPolarHBondContact CB-O 3.38Å; A186-R255 PolarHBondContact N-O 2.82Å; A251-R255 WeakPolarHBondContact O-CD 3.24Å; A251-R255 PolarHBondContact O-NE 3.5Å; A251-R255 PolarHBondContact O-NH1 2.97Å; V252-R255 WeakPolarHBondContact O-CB 3.36Å; V252-R255 PolarHBondContact O-N 2.93Å; G253-R255 PolarHBondContact O-N 3.25Å; R255-Y257 HydrophobicContact CB-CE2 3.83Å; R255-D340 IonicContact NH1-OD2 3.88Å; R255-D340 PolarHBondContact NH1-OD2 3.05Å
256F98.5Very high96.6Very high44 Ų4448.7 Ų48.719%0.19326%0.264CS..EExtended strand (participates in β ladder)trans-111.9156.9167.973.2-92.4000111.2E145 L169 A186 R188 Y258E145-F256 HydrophobicContact CB-CE2 3.85Å; E145-F256 HydrophobicContact CB-CZ 3.92Å; E145-F256 HydrophobicContact CG-CD2 3.96Å; E145-F256 HydrophobicContact CG-CE2 3.57Å; E145-F256 HydrophobicContact CG-CZ 4.13Å; E145-F256 WeakPolarHBondContact CG-O 3.5Å; L169-F256 HydrophobicContact CD1-CB 4.45Å; L169-F256 HydrophobicContact CD1-CD1 4.27Å; A186-F256 HydrophobicContact CB-CB 3.96Å; A186-F256 CarbonylContact O-C 3.45Å; A186-F256 WeakPolarHBondContact O-CA 3.33Å; R188-F256 HydrophobicContact CG-CD2 4.45Å; R188-F256 VanDerWaalsContact CZ-CD2 3.46Å; F256-Y258 HydrophobicContact CE2-CD2 4.49Å; F256-Y258 AromaticContact CE2-CE2 3.9Å; F256-Y258 HydrophobicContact CE2-CE2 3.9Å
257Y98.6Very high96.8Very high0 Ų044.4 Ų44.40%024%0.236CC..EExtended strand (participates in β ladder)trans-138.5133.8-178.6-64-83.8000111.4E145 A186 L187 R188 V252 R255 K336 A337 D340 L341E145-Y257 WeakPolarHBondContact OE1-CA 3.25Å; A186-Y257 PolarHBondContact O-N 3.13Å; L187-Y257 HydrophobicContact CD2-CD2 4.31Å; R188-Y257 PolarHBondContact N-O 2.95Å; V252-Y257 HydrophobicContact CG1-CE2 4.06Å; R255-Y257 HydrophobicContact CB-CE2 3.83Å; Y257-K336 HydrophobicContact CD1-CB 4.38Å; Y257-K336 HydrophobicContact CD1-CG 4.29Å; Y257-K336 HydrophobicContact CE1-CG 4.04Å; Y257-A337 HydrophobicContact CD1-CB 4.2Å; Y257-A337 HydrophobicContact CG-CB 4.46Å; Y257-D340 HydrophobicContact CE1-CB 3.62Å; Y257-D340 VanDerWaalsContact CE1-OD2 3.31Å; Y257-D340 WeakPolarHBondContact CE1-OD2 3.34Å; Y257-D340 WeakPolarHBondContact OH-CB 3.39Å; Y257-D340 PolarHBondContact OH-OD2 2.99Å; Y257-L341 HydrophobicContact CD1-CD1 4.39Å; Y257-L341 HydrophobicContact CD1-CG 4.4Å; Y257-L341 HydrophobicContact CD2-CD1 3.93Å; Y257-L341 HydrophobicContact CD2-CD2 4.18Å; Y257-L341 HydrophobicContact CD2-CG 4.32Å; Y257-L341 HydrophobicContact CE1-CD2 4.47Å; Y257-L341 HydrophobicContact CE1-CG 4.38Å; Y257-L341 HydrophobicContact CE2-CD1 4.4Å; Y257-L341 HydrophobicContact CE2-CD2 3.8Å; Y257-L341 HydrophobicContact CE2-CG 4.32Å; Y257-L341 HydrophobicContact CG-CD1 3.93Å; Y257-L341 HydrophobicContact CG-CG 4.36Å
258Y98.4Very high96.8Very high1 Ų137.5 Ų37.50%0.00420%0.203CC..EExtended strand (participates in β ladder)trans-74.2135.9169-70.2-68.6000110.9V128 M131 T144 E145 R188 F256 F332 S333V128-Y258 HydrophobicContact CG1-CD1 3.8Å; V128-Y258 HydrophobicContact CG1-CE1 4.02Å; M131-Y258 WeakPolarHBondContact CE-OH 3.33Å; M131-Y258 HydrophobicContact CG-CE1 4.28Å; M131-Y258 WeakPolarHBondContact CG-OH 3.19Å; M131-Y258 PolarHBondContact SD-OH 2.89Å; T144-Y258 WeakPolarHBondContact O-CE2 3.44Å; E145-Y258 HydrophobicContact CG-CD2 4.18Å; E145-Y258 HydrophobicContact CG-CE2 4.43Å; E145-Y258 PolarHBondContact OE1-N 2.75Å; R188-Y258 HydrophobicContact CB-CD1 3.82Å; R188-Y258 HydrophobicContact CB-CE1 4.15Å; R188-Y258 PolarHBondContact NH1-OH 3.4Å; F256-Y258 HydrophobicContact CE2-CD2 4.49Å; F256-Y258 AromaticContact CE2-CE2 3.9Å; F256-Y258 HydrophobicContact CE2-CE2 3.9Å; Y258-F332 HydrophobicContact CD1-CB 3.94Å; Y258-F332 AromaticContact CD1-CD1 3.72Å; Y258-F332 HydrophobicContact CD1-CD1 3.72Å; Y258-F332 HydrophobicContact CD1-CD2 4.48Å; Y258-F332 HydrophobicContact CD1-CE1 4.34Å; Y258-F332 AromaticContact CD1-CG 3.8Å; Y258-F332 HydrophobicContact CD1-CG 3.8Å; Y258-F332 HydrophobicContact CD2-CB 4.41Å; Y258-F332 HydrophobicContact CD2-CD1 4.12Å; Y258-F332 AromaticContact CE1-CD1 3.45Å; Y258-F332 HydrophobicContact CE1-CD1 3.45Å; Y258-F332 VanDerWaalsContact CE1-CD1 3.45Å; Y258-F332 AromaticContact CE1-CE1 3.63Å; Y258-F332 HydrophobicContact CE1-CE1 3.63Å; Y258-F332 AromaticContact CE1-CG 3.94Å; Y258-F332 HydrophobicContact CE1-CG 3.94Å; Y258-F332 HydrophobicContact CE1-CZ 4.26Å; Y258-F332 AromaticContact CE2-CD1 3.88Å; Y258-F332 HydrophobicContact CE2-CD1 3.88Å; Y258-F332 HydrophobicContact CE2-CE1 4.38Å; Y258-F332 HydrophobicContact CG-CB 3.86Å; Y258-F332 HydrophobicContact CG-CD1 4.04Å; Y258-F332 HydrophobicContact CG-CG 4.15Å; Y258-F332 AromaticContact CZ-CD1 3.53Å; Y258-F332 AromaticContact CZ-CE1 3.66Å; Y258-S333 WeakPolarHBondContact CB-O 3.27Å
259L98.1Very high96.9Very high0 Ų034.4 Ų34.40%019%0.19CC..EExtended strand (participates in β ladder)trans-116.3110.2173.8-52.2179.3000109.9L187 R188 P189 T190 V232 A235 A337 Y343L187-L259 HydrophobicContact CB-CD1 3.73Å; L187-L259 HydrophobicContact CB-CG 4.3Å; L187-L259 HydrophobicContact CD1-CD1 4.16Å; L187-L259 HydrophobicContact CD2-CD1 4.41Å; L187-L259 HydrophobicContact CD2-CD2 4.38Å; L187-L259 HydrophobicContact CG-CD1 4.31Å; R188-L259 PolarHBondContact O-N 3.04Å; P189-L259 WeakPolarHBondContact CA-O 3.42Å; P189-L259 HydrophobicContact CB-CB 4.37Å; T190-L259 PolarHBondContact N-O 3.28Å; T190-L259 PolarHBondContact OG1-O 2.85Å; V232-L259 HydrophobicContact CG1-CD1 4.12Å; A235-L259 HydrophobicContact CB-CD1 3.48Å; A235-L259 VanDerWaalsContact CB-CD1 3.48Å; A235-L259 HydrophobicContact CB-CD2 3.62Å; A235-L259 HydrophobicContact CB-CG 4.16Å; L259-A337 HydrophobicContact CD2-CB 4.07Å; L259-Y343 HydrophobicContact CD2-CD1 4.46Å
260S96.7Very high96.9Very high2 Ų234 Ų341%0.01419%0.191CC..  trans-126.9178.8165.848.60000109N225 F332 Y334 Y343N225-S260 WeakPolarHBondContact ND2-CB 3.17Å; N225-S260 PolarHBondContact ND2-OG 3.25Å; S260-F332 PolarHBondContact OG-O 2.95Å; S260-Y334 WeakPolarHBondContact O-CD1 3.46Å; S260-Y334 WeakPolarHBondContact OG-CD1 3.44Å; S260-Y343 WeakPolarHBondContact O-CE1 3.38Å; S260-Y343 PolarHBondContact O-OH 3.2Å
261D97.1Very high97.1Very high10 Ų1027 Ų275%0.05315%0.153CC..  trans-142.4-168.2171.662.127.3000110.6V227 Y228 N231 T263 P345V227-D261 HydrophobicContact CG2-CB 4.21Å; Y228-D261 PolarHBondContact N-OD2 3.43Å; N231-D261 PolarHBondContact ND2-OD2 3.02Å; D261-T263 PolarHBondContact O-N 3.01Å; D261-T263 VanDerWaalsContact O-N 3.16Å; D261-T263 WeakPolarHBondContact OD1-CB 3.48Å; D261-T263 PolarHBondContact OD1-N 3.31Å; D261-T263 PolarHBondContact OD1-OG1 3.33Å; D261-P345 HydrophobicContact CB-CB 3.83Å; D261-P345 HydrophobicContact CB-CG 3.71Å
262D96.4Very high97.2Very high97 Ų9725.6 Ų25.652%0.51914%0.14SC..SBendtrans-79.814.1-176.2-53-36.7000113.2P264 Y334D262-P264 WeakPolarHBondContact O-CD 3.2Å; D262-Y334 PolarHBondContact OD1-OH 3.44Å
263T97.2Very high97.2Very high2 Ų227.9 Ų27.91%0.01215%0.151CC..PPolyproline II helixtrans-57.8125.3169.2-640000109.7Y193 P226 D261 F271 W349Y193-T263 HydrophobicContact CE1-CG2 4.34Å; Y193-T263 PolarHBondContact OH-OG1 2.84Å; Y193-T263 VanDerWaalsContact OH-OG1 3.14Å; P226-T263 HydrophobicContact CB-CG2 4.32Å; P226-T263 WeakPolarHBondContact O-CB 3.48Å; D261-T263 PolarHBondContact O-N 3.01Å; D261-T263 VanDerWaalsContact O-N 3.16Å; D261-T263 WeakPolarHBondContact OD1-CB 3.48Å; D261-T263 PolarHBondContact OD1-N 3.31Å; D261-T263 PolarHBondContact OD1-OG1 3.33Å; T263-F271 HydrophobicContact CG2-CD2 4.41Å; T263-F271 HydrophobicContact CG2-CE2 3.84Å; T263-W349 HydrophobicContact CG2-CD2 4.4Å; T263-W349 HydrophobicContact CG2-CE3 3.61Å; T263-W349 HydrophobicContact CG2-CH2 4.33Å; T263-W349 HydrophobicContact CG2-CZ3 3.59Å
264P96.2Very high97.2Very high51 Ų5129.7 Ų29.733%0.33116%0.16SC..PPolyproline II helixtrans-57.9131.2-178.2-25.533.5000111.7D262 M266 W349D262-P264 WeakPolarHBondContact O-CD 3.2Å; P264-M266 HydrophobicContact CB-CE 3.8Å; P264-M266 HydrophobicContact CG-CE 4.41Å; P264-M266 WeakPolarHBondContact O-CE 3.37Å; P264-M266 PolarHBondContact O-N 3.09Å; P264-W349 VanDerWaalsContact CD-CD2 3.46Å; P264-W349 VanDerWaalsContact CD-CG 3.44Å; P264-W349 HydrophobicContact CG-CD2 4.39Å; P264-W349 HydrophobicContact CG-CG 4.18Å
265P96.3Very high97.2Very high77 Ų7728.4 Ų28.450%0.515%0.147SC..PPolyproline II helixtrans-62.8127.7176.3-22.532.8000111.3H223 V224 N225 T331H223-P265 HydrophobicContact CB-CB 4.26Å; V224-P265 VanDerWaalsContact O-CA 3.25Å; V224-P265 WeakPolarHBondContact O-CA 3.4Å; N225-P265 HydrophobicContact CB-CG 4.42Å; P265-T331 HydrophobicContact CB-CG2 4.26Å
266M96.4Very high97.2Very high27 Ų2723.5 Ų23.513%0.13313%0.128CC..BIsolated β-bridgetrans-156.2168.7178.862.8-17279.200110.4V224 P264 D270 F271 V274V224-M266 WeakPolarHBondContact CG2-O 3.27Å; V224-M266 PolarHBondContact N-O 3.1Å; V224-M266 PolarHBondContact O-N 3.33Å; P264-M266 HydrophobicContact CB-CE 3.8Å; P264-M266 HydrophobicContact CG-CE 4.41Å; P264-M266 WeakPolarHBondContact O-CE 3.37Å; P264-M266 PolarHBondContact O-N 3.09Å; M266-D270 HydrophobicContact CB-CB 4.39Å; M266-F271 HydrophobicContact CG-CB 3.78Å; M266-F271 HydrophobicContact CG-CD2 4.22Å; M266-F271 WeakPolarHBondContact SD-CA 3.43Å; M266-F271 HydrophobicContact SD-CB 3.91Å; M266-F271 HydrophobicContact SD-CD2 3.97Å; M266-F271 HydrophobicContact SD-CG 4.46Å; M266-V274 HydrophobicContact SD-CB 4.46Å; M266-V274 HydrophobicContact SD-CG2 4.04Å
267S96.8Very high97.2Very high0 Ų023.8 Ų23.80%014%0.136CC..  trans-68.2154.3175.388.70000111.3S218 V219 A222 S269 D270 F271S218-S267 WeakPolarHBondContact OG-CB 3.49Å; S218-S267 PolarHBondContact OG-OG 3.02Å; V219-S267 WeakPolarHBondContact O-CB 3.44Å; A222-S267 WeakPolarHBondContact O-CA 3.35Å; S267-S269 PolarHBondContact O-N 2.91Å; S267-D270 PolarHBondContact O-N 3.12Å; S267-D270 VanDerWaalsContact O-N 3.15Å; S267-D270 VanDerWaalsContact OG-CG 3.3Å; S267-D270 PolarHBondContact OG-N 3.2Å; S267-D270 PolarHBondContact OG-OD2 2.91Å; S267-F271 WeakPolarHBondContact O-CB 2.79Å; S267-F271 PolarHBondContact O-N 2.98Å
268Y95.7Very high97.1Very high33 Ų3328.1 Ų28.113%0.12916%0.164CC..Hα-helixtrans-52.9-39177.1-73.5-79.9000113.1Y191 S218 V224 N272 L326Y191-Y268 HydrophobicContact CD1-CD1 4.44Å; Y191-Y268 HydrophobicContact CD1-CE1 4.26Å; Y191-Y268 HydrophobicContact CD2-CE1 4.12Å; Y191-Y268 HydrophobicContact CG-CD1 4.44Å; Y191-Y268 AromaticContact CG-CE1 3.85Å; Y191-Y268 HydrophobicContact CG-CE1 3.85Å; S218-Y268 PolarHBondContact OG-N 3.05Å; V224-Y268 HydrophobicContact CB-CE2 4.32Å; V224-Y268 HydrophobicContact CG1-CD2 4.25Å; V224-Y268 HydrophobicContact CG1-CE2 3.54Å; V224-Y268 HydrophobicContact CG2-CD1 4.12Å; V224-Y268 HydrophobicContact CG2-CD2 4.05Å; V224-Y268 HydrophobicContact CG2-CE1 3.99Å; V224-Y268 HydrophobicContact CG2-CE2 3.93Å; V224-Y268 HydrophobicContact CG2-CG 4.16Å; Y268-N272 VanDerWaalsContact O-CG 3.23Å; Y268-N272 PolarHBondContact O-N 3.31Å; Y268-N272 PolarHBondContact O-ND2 3.13Å; Y268-N272 VanDerWaalsContact O-ND2 3.16Å; Y268-L326 HydrophobicContact CD1-CD2 4.32Å; Y268-L326 HydrophobicContact CD2-CB 4.45Å; Y268-L326 HydrophobicContact CD2-CD2 3.54Å; Y268-L326 HydrophobicContact CE2-CD2 3.93Å; Y268-L326 HydrophobicContact CG-CD2 3.75Å
269S96.5Very high97.1Very high6 Ų629.5 Ų29.54%0.04217%0.171CC..Hα-helixtrans-70.4-43.4-178.9-51.20000111.1M217 S218 S267 F271 N272 H273 I283M217-S269 PolarHBondContact N-OG 3.03Å; S218-S269 PolarHBondContact N-OG 3.3Å; S218-S269 VanDerWaalsContact OG-CB 3.26Å; S218-S269 WeakPolarHBondContact OG-CB 3.38Å; S218-S269 PolarHBondContact OG-N 3.19Å; S218-S269 PolarHBondContact OG-OG 3Å; S267-S269 PolarHBondContact O-N 2.91Å; S269-F271 VanDerWaalsContact C-N 3.33Å; S269-N272 PolarHBondContact O-N 2.82Å; S269-H273 WeakPolarHBondContact O-CB 3.39Å; S269-H273 PolarHBondContact O-N 3.24Å; S269-I283 VanDerWaalsContact O-CD1 3.3Å; S269-I283 WeakPolarHBondContact O-CD1 3.47Å
270D97.1Very high97Very high35 Ų3532.2 Ų32.219%0.18720%0.199CC..Hα-helixtrans-67.5-37.8177.4-61.1-45.3000111R216 M266 S267 H273 V274R216-D270 IonicContact CZ-OD1 3.88Å; R216-D270 VanDerWaalsContact CZ-OD1 3.23Å; R216-D270 IonicContact NH1-OD1 3.77Å; R216-D270 PolarHBondContact NH1-OD1 3.28Å; R216-D270 IonicContact NH1-OD2 3.18Å; R216-D270 PolarHBondContact NH1-OD2 3.24Å; R216-D270 IonicContact NH2-OD1 3.25Å; R216-D270 PolarHBondContact NH2-OD1 3.04Å; M266-D270 HydrophobicContact CB-CB 4.39Å; S267-D270 PolarHBondContact O-N 3.12Å; S267-D270 VanDerWaalsContact O-N 3.15Å; S267-D270 VanDerWaalsContact OG-CG 3.3Å; S267-D270 PolarHBondContact OG-N 3.2Å; S267-D270 PolarHBondContact OG-OD2 2.91Å; D270-H273 PolarHBondContact O-N 2.92Å; D270-V274 WeakPolarHBondContact O-CG2 3.47Å; D270-V274 PolarHBondContact O-N 2.91Å
271F97.5Very high97.1Very high0 Ų032.4 Ų32.40%020%0.199CC..Hα-helixtrans-57.3-51.7173.5-177.3-103.6000112.4Y191 Y193 P226 T263 M266 S267 S269 H273 V274 L275 W349Y191-F271 HydrophobicContact CD1-CD1 4.49Å; Y191-F271 HydrophobicContact CD1-CE1 4.32Å; Y191-F271 HydrophobicContact CE1-CD1 4.1Å; Y191-F271 AromaticContact CE1-CE1 3.91Å; Y191-F271 HydrophobicContact CE1-CE1 3.91Å; Y193-F271 HydrophobicContact CD1-CE1 4.32Å; Y193-F271 HydrophobicContact CD1-CE2 4.34Å; Y193-F271 AromaticContact CD1-CZ 3.56Å; Y193-F271 HydrophobicContact CD1-CZ 3.56Å; Y193-F271 HydrophobicContact CD2-CE1 4.34Å; Y193-F271 AromaticContact CD2-CZ 3.65Å; Y193-F271 HydrophobicContact CD2-CZ 3.65Å; Y193-F271 HydrophobicContact CE1-CE2 4.33Å; Y193-F271 AromaticContact CE1-CZ 3.93Å; Y193-F271 HydrophobicContact CE1-CZ 3.93Å; Y193-F271 HydrophobicContact CE2-CZ 4.02Å; Y193-F271 AromaticContact CG-CE1 3.93Å; Y193-F271 HydrophobicContact CG-CE1 3.93Å; Y193-F271 HydrophobicContact CG-CE2 4.5Å; Y193-F271 AromaticContact CG-CZ 3.4Å; Y193-F271 HydrophobicContact CG-CZ 3.4Å; P226-F271 HydrophobicContact CB-CD2 4.4Å; P226-F271 HydrophobicContact CB-CE1 4.27Å; P226-F271 HydrophobicContact CB-CE2 3.95Å; P226-F271 HydrophobicContact CB-CZ 3.88Å; P226-F271 HydrophobicContact CG-CD1 4.19Å; P226-F271 HydrophobicContact CG-CD2 3.79Å; P226-F271 HydrophobicContact CG-CE1 4.24Å; P226-F271 HydrophobicContact CG-CE2 3.85Å; P226-F271 HydrophobicContact CG-CG 3.96Å; P226-F271 HydrophobicContact CG-CZ 4.08Å; T263-F271 HydrophobicContact CG2-CD2 4.41Å; T263-F271 HydrophobicContact CG2-CE2 3.84Å; M266-F271 HydrophobicContact CG-CB 3.78Å; M266-F271 HydrophobicContact CG-CD2 4.22Å; M266-F271 WeakPolarHBondContact SD-CA 3.43Å; M266-F271 HydrophobicContact SD-CB 3.91Å; M266-F271 HydrophobicContact SD-CD2 3.97Å; M266-F271 HydrophobicContact SD-CG 4.46Å; S267-F271 WeakPolarHBondContact O-CB 2.79Å; S267-F271 PolarHBondContact O-N 2.98Å; S269-F271 VanDerWaalsContact C-N 3.33Å; F271-H273 VanDerWaalsContact C-N 3.28Å; F271-H273 PolarHBondContact O-N 3.31Å; F271-V274 PolarHBondContact O-N 3.28Å; F271-L275 HydrophobicContact CD1-CD1 4.11Å; F271-L275 HydrophobicContact CE1-CD1 3.44Å; F271-L275 VanDerWaalsContact CE1-CD1 3.44Å; F271-L275 HydrophobicContact CE1-CG 4.39Å; F271-L275 HydrophobicContact CE2-CD1 4.4Å; F271-L275 HydrophobicContact CZ-CD1 3.61Å; F271-L275 HydrophobicContact CZ-CG 4.29Å; F271-L275 PolarHBondContact O-N 2.92Å; F271-W349 HydrophobicContact CD2-CH2 4.44Å; F271-W349 AromaticContact CE2-CH2 3.87Å; F271-W349 HydrophobicContact CE2-CH2 3.87Å; F271-W349 AromaticContact CE2-CZ3 3.81Å; F271-W349 HydrophobicContact CE2-CZ3 3.81Å
272N97.1Very high97.1Very high12 Ų1234.6 Ų34.66%0.06422%0.216CC..Hα-helixtrans-59.6-41.2176.5-70.4-28.9000111.4L200 H203 L214 Y268 S269 L275 M276L200-N272 VanDerWaalsContact CD2-OD1 3.3Å; L200-N272 WeakPolarHBondContact CD2-OD1 3.41Å; H203-N272 PolarHBondContact CD2-ND2 3.43Å; H203-N272 PolarHBondContact NE2-ND2 3Å; L214-N272 HydrophobicContact CD1-CB 4.49Å; Y268-N272 VanDerWaalsContact O-CG 3.23Å; Y268-N272 PolarHBondContact O-N 3.31Å; Y268-N272 PolarHBondContact O-ND2 3.13Å; Y268-N272 VanDerWaalsContact O-ND2 3.16Å; S269-N272 PolarHBondContact O-N 2.82Å; N272-L275 PolarHBondContact O-N 3.14Å; N272-M276 WeakPolarHBondContact O-CB 3.35Å; N272-M276 WeakPolarHBondContact O-CG 3.4Å; N272-M276 PolarHBondContact O-N 3.5Å; N272-M276 VanDerWaalsContact O-N 3.09Å
273H97.6Very high97.2Very high50 Ų5031.1 Ų31.123%0.23120%0.197CC..Hα-helixtrans-64.3-41.9177.3-179.955.9000112.7L214 S269 D270 F271 L275 M276 S277 F281 I283L214-H273 HydrophobicContact CD1-CB 4.32Å; S269-H273 WeakPolarHBondContact O-CB 3.39Å; S269-H273 PolarHBondContact O-N 3.24Å; D270-H273 PolarHBondContact O-N 2.92Å; F271-H273 VanDerWaalsContact C-N 3.28Å; F271-H273 PolarHBondContact O-N 3.31Å; H273-L275 VanDerWaalsContact C-N 3.26Å; H273-L275 PolarHBondContact O-N 3.07Å; H273-M276 PolarHBondContact O-N 3.44Å; H273-S277 WeakPolarHBondContact O-CB 3.4Å; H273-S277 PolarHBondContact O-N 3.32Å; H273-S277 PolarHBondContact O-OG 3.49Å; H273-S277 VanDerWaalsContact O-OG 3.05Å; H273-F281 PolarHBondContact CE1-O 3.36Å; H273-I283 HydrophobicContact CB-CB 4.01Å; H273-I283 HydrophobicContact CB-CD1 3.9Å; H273-I283 HydrophobicContact CB-CG2 4.07Å; H273-I283 VanDerWaalsContact CG-CG2 3.49Å
274V97.5Very high97Very high46 Ų4633.3 Ų33.328%0.27921%0.207SC..Hα-helixtrans-60-38.4177.2168.30000111.4M266 D270 F271 W349M266-V274 HydrophobicContact SD-CB 4.46Å; M266-V274 HydrophobicContact SD-CG2 4.04Å; D270-V274 WeakPolarHBondContact O-CG2 3.47Å; D270-V274 PolarHBondContact O-N 2.91Å; F271-V274 PolarHBondContact O-N 3.28Å; V274-W349 HydrophobicContact CG1-CH2 4.21Å; V274-W349 HydrophobicContact CG1-CZ2 3.79Å
275L97.8Very high96.7Very high0 Ų037.9 Ų37.90%023%0.229CC..Hα-helixtrans-74.1-31.9178.3-65.9177.8000113.8Y193 L200 F271 N272 H273 W349 R353 T356 T357 L360Y193-L275 HydrophobicContact CD2-CD1 4.34Å; L200-L275 HydrophobicContact CD1-CD1 3.85Å; L200-L275 HydrophobicContact CD2-CD1 3.83Å; F271-L275 HydrophobicContact CD1-CD1 4.11Å; F271-L275 HydrophobicContact CE1-CD1 3.44Å; F271-L275 VanDerWaalsContact CE1-CD1 3.44Å; F271-L275 HydrophobicContact CE1-CG 4.39Å; F271-L275 HydrophobicContact CE2-CD1 4.4Å; F271-L275 HydrophobicContact CZ-CD1 3.61Å; F271-L275 HydrophobicContact CZ-CG 4.29Å; F271-L275 PolarHBondContact O-N 2.92Å; N272-L275 PolarHBondContact O-N 3.14Å; H273-L275 VanDerWaalsContact C-N 3.26Å; H273-L275 PolarHBondContact O-N 3.07Å; L275-W349 HydrophobicContact CD2-CH2 4.28Å; L275-R353 HydrophobicContact CD2-CG 4.07Å; L275-T356 HydrophobicContact CD1-CG2 3.97Å; L275-T356 HydrophobicContact CD2-CG2 4.11Å; L275-T357 PolarHBondContact O-OG1 2.96Å; L275-L360 HydrophobicContact CB-CD1 4.14Å
276M97.8Very high96.4Very high0 Ų042.5 Ų42.50%024%0.241CC..Hα-helixtrans-105-17-170.6-63.9-179.1-175.200114.7L200 H203 M204 L214 N272 H273 P278 L279 F281 L360L200-M276 HydrophobicContact CB-CE 4.33Å; L200-M276 HydrophobicContact CD2-CE 4.49Å; L200-M276 WeakPolarHBondContact O-CE 3.47Å; H203-M276 HydrophobicContact CB-CE 3.9Å; M204-M276 HydrophobicContact CB-CE 3.93Å; M204-M276 HydrophobicContact CB-SD 4.24Å; L214-M276 HydrophobicContact CD1-CB 4.16Å; L214-M276 HydrophobicContact CD1-SD 3.91Å; L214-M276 HydrophobicContact CD2-SD 3.72Å; L214-M276 HydrophobicContact CG-SD 4.44Å; N272-M276 WeakPolarHBondContact O-CB 3.35Å; N272-M276 WeakPolarHBondContact O-CG 3.4Å; N272-M276 PolarHBondContact O-N 3.5Å; N272-M276 VanDerWaalsContact O-N 3.09Å; H273-M276 PolarHBondContact O-N 3.44Å; M276-P278 VanDerWaalsContact C-N 3.33Å; M276-L279 WeakPolarHBondContact O-CA 3.46Å; M276-L279 WeakPolarHBondContact O-CB 3.32Å; M276-L279 PolarHBondContact O-N 2.85Å; M276-F281 HydrophobicContact CB-CB 3.94Å; M276-F281 HydrophobicContact CB-CD2 4.17Å; M276-F281 HydrophobicContact CB-CG 4.15Å; M276-F281 PolarHBondContact O-N 2.87Å; M276-L360 HydrophobicContact CE-CD1 4.48Å; M276-L360 HydrophobicContact CG-CD1 4.22Å
277S97.8Very high96Very high50 Ų5042.8 Ų42.835%0.3524%0.243SC..G310 helixtrans-57.1-36.4177.157.20000114.1H273 L279 G280 F281H273-S277 WeakPolarHBondContact O-CB 3.4Å; H273-S277 PolarHBondContact O-N 3.32Å; H273-S277 PolarHBondContact O-OG 3.49Å; H273-S277 VanDerWaalsContact O-OG 3.05Å; S277-L279 PolarHBondContact O-N 3.22Å; S277-L279 VanDerWaalsContact O-N 3.13Å; S277-G280 PolarHBondContact O-N 3.02Å; S277-F281 WeakPolarHBondContact CA-O 3.46Å
278P98Very high95.5Very high91 Ų9147.7 Ų47.759%0.59127%0.273SS*.G310 helixtrans-64.2-18.4174.3-21.736.1000113.6M276 G280 T357M276-P278 VanDerWaalsContact C-N 3.33Å; P278-G280 VanDerWaalsContact C-N 3.32Å; P278-T357 HydrophobicContact CB-CG2 3.95Å; P278-T357 HydrophobicContact CG-CG2 4.04Å
279L97.5Very high95.2Very high31 Ų3149.3 Ų49.316%0.16228%0.283CS..G310 helixtrans-91.85.7178.9-47.7-178.6000112.6M204 M276 S277 F281 T357 L360 A361 L364M204-L279 HydrophobicContact CE-CD1 3.91Å; M276-L279 WeakPolarHBondContact O-CA 3.46Å; M276-L279 WeakPolarHBondContact O-CB 3.32Å; M276-L279 PolarHBondContact O-N 2.85Å; S277-L279 PolarHBondContact O-N 3.22Å; S277-L279 VanDerWaalsContact O-N 3.13Å; L279-F281 HydrophobicContact CB-CD2 3.97Å; L279-F281 HydrophobicContact CB-CE2 4.14Å; L279-T357 HydrophobicContact CD2-CG2 4.02Å; L279-T357 HydrophobicContact CG-CG2 4.39Å; L279-L360 HydrophobicContact CD1-CB 3.6Å; L279-A361 HydrophobicContact CD2-CB 3.57Å; L279-L364 HydrophobicContact CB-CD2 4.28Å
280G97.3Very high95Very high56 Ų5653 Ų5358%0.57731%0.307SS*.THydrogen-bonded Turntrans8915.1179.200000114.8S277 P278S277-G280 PolarHBondContact O-N 3.02Å; P278-G280 VanDerWaalsContact C-N 3.32Å
281F98.1Very high94.7Very high6 Ų654.2 Ų54.23%0.02631%0.313CS..  trans-87.3130.6174.9-69.8-103.3000111.5M204 I208 N212 L214 H273 M276 S277 L279 L364M204-F281 HydrophobicContact CG-CE1 4.35Å; M204-F281 HydrophobicContact CG-CE2 4.29Å; M204-F281 HydrophobicContact CG-CZ 3.73Å; I208-F281 HydrophobicContact CG1-CE1 4.08Å; I208-F281 HydrophobicContact CG1-CZ 3.79Å; N212-F281 HydrophobicContact CB-CD1 4.12Å; N212-F281 HydrophobicContact CB-CE1 4.34Å; N212-F281 HydrophobicContact CB-CG 4.42Å; N212-F281 WeakPolarHBondContact O-CA 3.35Å; L214-F281 HydrophobicContact CD1-CB 4.39Å; L214-F281 HydrophobicContact CD2-CD1 3.96Å; L214-F281 HydrophobicContact CG-CB 4.25Å; L214-F281 HydrophobicContact CG-CD1 4.33Å; H273-F281 PolarHBondContact CE1-O 3.36Å; M276-F281 HydrophobicContact CB-CB 3.94Å; M276-F281 HydrophobicContact CB-CD2 4.17Å; M276-F281 HydrophobicContact CB-CG 4.15Å; M276-F281 PolarHBondContact O-N 2.87Å; S277-F281 WeakPolarHBondContact CA-O 3.46Å; L279-F281 HydrophobicContact CB-CD2 3.97Å; L279-F281 HydrophobicContact CB-CE2 4.14Å; F281-L364 HydrophobicContact CE2-CD1 3.87Å; F281-L364 HydrophobicContact CE2-CD2 4.47Å; F281-L364 HydrophobicContact CZ-CD1 3.85Å
282S97.7Very high94.5Very high57 Ų5764.6 Ų64.640%0.39935%0.352SS..EExtended strand (participates in β ladder)trans-94.8170.116759.90000110.5N212 L214N212-S282 PolarHBondContact O-N 2.7Å; N212-S282 PolarHBondContact O-OG 2.96Å; L214-S282 PolarHBondContact N-O 2.91Å
283I96.7Very high94.3Very high24 Ų2468.7 Ų68.712%0.12337%0.374CS..EExtended strand (participates in β ladder)trans-125.1148.4174.7-176.1164.9000109.6L214 R216 S269 H273L214-I283 HydrophobicContact CB-CB 4.42Å; L214-I283 HydrophobicContact CB-CG1 4.39Å; R216-I283 HydrophobicContact CB-CG1 4.45Å; S269-I283 VanDerWaalsContact O-CD1 3.3Å; S269-I283 WeakPolarHBondContact O-CD1 3.47Å; H273-I283 HydrophobicContact CB-CB 4.01Å; H273-I283 HydrophobicContact CB-CD1 3.9Å; H273-I283 HydrophobicContact CB-CG2 4.07Å; H273-I283 VanDerWaalsContact CG-CG2 3.49Å
284Q93.8Very high94.1Very high47 Ų4768 Ų6822%0.2237%0.37CS..  trans-64.4136170-68174.5-7.700111.5V213 L214 F215 R216 K286V213-Q284 HydrophobicContact CG1-CG 3.92Å; L214-Q284 PolarHBondContact O-N 2.87Å; L214-Q284 VanDerWaalsContact O-N 3.07Å; F215-Q284 VanDerWaalsContact CD1-NE2 3.26Å; R216-Q284 HydrophobicContact CB-CB 4.18Å; R216-Q284 PolarHBondContact NE-O 3.5Å; Q284-K286 VanDerWaalsContact C-N 3.31Å; Q284-K286 PolarHBondContact O-N 2.91Å
285D89.3Confident93.8Very high148 Ų14870.2 Ų70.279%0.79137%0.374SS*.SBendtrans-66.3-33.5-179.5-62.4-35.4000112.9R216R216-D285 PolarHBondContact NE-O 2.82Å
286K90.5Very high93.6Very high173 Ų17374.5 Ų74.575%0.75240%0.396SS*.SBendtrans-129.9157-174.4-64.2-179-177.6176.10110.9Q284Q284-K286 VanDerWaalsContact C-N 3.31Å; Q284-K286 PolarHBondContact O-N 2.91Å
287L89Confident93.4Very high33 Ų3378 Ų7817%0.17341%0.414CS..  trans-58144.8165.2-63.4173.5000109.9R216 V219 L289 L291R216-L287 HydrophobicContact CG-CD2 4.07Å; R216-L287 VanDerWaalsContact O-CD2 3.27Å; R216-L287 WeakPolarHBondContact O-CD2 3.47Å; V219-L287 HydrophobicContact CG1-CD1 3.63Å; V219-L287 HydrophobicContact CG1-CG 4.4Å; L287-L289 WeakPolarHBondContact CB-O 3.4Å; L287-L289 PolarHBondContact O-N 3.46Å; L287-L291 HydrophobicContact CD1-CD2 3.46Å; L287-L291 VanDerWaalsContact CD1-CD2 3.46Å; L287-L291 HydrophobicContact CD1-CG 3.64Å
288V85.7Confident93.2Very high104 Ų10475.6 Ų75.663%0.6340%0.398SS*.SBendtrans-58.4-33.6176.2-177.30000111.5F215F215-V288 HydrophobicContact CD1-CG2 4.5Å
289L89.1Confident92.9Very high66 Ų6676 Ų7635%0.34639%0.39SS..SBendtrans-138.5148.7179.3-67.3165.9000110.6L287 L291 F294 L297L287-L289 WeakPolarHBondContact CB-O 3.4Å; L287-L289 PolarHBondContact O-N 3.46Å; L289-L291 PolarHBondContact O-N 2.97Å; L289-F294 HydrophobicContact CB-CB 4.3Å; L289-L297 HydrophobicContact CD1-CD2 4.03Å
290P92.1Very high92.7Very high85 Ų8579.2 Ų79.255%0.55241%0.407SS*.  trans-53.7137.4166.9-24.532.9000111.7R292 L293 F294P290-R292 PolarHBondContact O-N 3.45Å; P290-L293 HydrophobicContact CB-CD1 4.5Å; P290-L293 HydrophobicContact CG-CD1 4.15Å; P290-L293 PolarHBondContact O-N 3.04Å; P290-F294 PolarHBondContact O-N 3.09Å
291L91.4Very high92.4Very high59 Ų5979.6 Ų79.631%0.30940%0.396SS..Hα-helixtrans-51.5-38.8-172.8-73.7177.8000114.4V219 L287 L289 F294 Y295 L323 N327V219-L291 HydrophobicContact CG1-CD1 3.75Å; V219-L291 HydrophobicContact CG1-CG 4.25Å; L287-L291 HydrophobicContact CD1-CD2 3.46Å; L287-L291 VanDerWaalsContact CD1-CD2 3.46Å; L287-L291 HydrophobicContact CD1-CG 3.64Å; L289-L291 PolarHBondContact O-N 2.97Å; L291-F294 PolarHBondContact O-N 2.8Å; L291-Y295 WeakPolarHBondContact O-CB 2.87Å; L291-Y295 PolarHBondContact O-N 3.35Å; L291-L323 HydrophobicContact CD2-CD1 4.13Å; L291-N327 HydrophobicContact CD1-CB 4.14Å; L291-N327 HydrophobicContact CD2-CB 4.2Å; L291-N327 WeakPolarHBondContact CD2-OD1 3.34Å
292R92.2Very high92Very high218 Ų21881 Ų8182%0.82340%0.402SS*.Hα-helixtrans-63.4-42.7178.2-64-177.6-176.2172.11.3112.2P290 Y295 I296P290-R292 PolarHBondContact O-N 3.45Å; R292-Y295 PolarHBondContact O-N 3.4Å; R292-I296 WeakPolarHBondContact O-CG1 3.48Å; R292-I296 PolarHBondContact O-N 3.05Å; R292-I296 VanDerWaalsContact O-N 3.12Å
293L93.8Very high91.7Very high99 Ų9980 Ų8052%0.51840%0.398SS..Hα-helixtrans-69.5-39.4177.4-64-178.5000110.6P290 Y295 I296 L297P290-L293 HydrophobicContact CB-CD1 4.5Å; P290-L293 HydrophobicContact CG-CD1 4.15Å; P290-L293 PolarHBondContact O-N 3.04Å; L293-Y295 VanDerWaalsContact C-N 3.33Å; L293-Y295 PolarHBondContact O-N 2.88Å; L293-I296 PolarHBondContact O-N 3Å; L293-L297 WeakPolarHBondContact O-CB 3.34Å; L293-L297 PolarHBondContact O-N 3.28Å
294F92.9Very high91.4Very high35 Ų3583.2 Ų83.215%0.15442%0.415CS..Hα-helixtrans-64.6-39.4176.6-162.4-175.3000111.6M217 L289 P290 L291 I296 L297 C298 M318 L323M217-F294 HydrophobicContact CE-CE1 3.8Å; M217-F294 HydrophobicContact CE-CZ 3.84Å; L289-F294 HydrophobicContact CB-CB 4.3Å; P290-F294 PolarHBondContact O-N 3.09Å; L291-F294 PolarHBondContact O-N 2.8Å; F294-I296 PolarHBondContact O-N 2.95Å; F294-L297 HydrophobicContact CD2-CD2 4.33Å; F294-L297 WeakPolarHBondContact O-CB 3.45Å; F294-L297 PolarHBondContact O-N 3.09Å; F294-C298 PolarHBondContact O-N 3.44Å; F294-C298 PolarHBondContact O-SG 2.87Å; F294-C298 VanDerWaalsContact O-SG 3.4Å; F294-M318 HydrophobicContact CE2-CG 4.18Å; F294-M318 HydrophobicContact CZ-CB 4.37Å; F294-M318 HydrophobicContact CZ-CG 3.86Å; F294-L323 HydrophobicContact CB-CD2 3.98Å; F294-L323 HydrophobicContact CD1-CD1 3.45Å; F294-L323 VanDerWaalsContact CD1-CD1 3.45Å; F294-L323 HydrophobicContact CD1-CD2 4.15Å; F294-L323 HydrophobicContact CD1-CG 4.46Å; F294-L323 HydrophobicContact CE1-CD1 3.72Å; F294-L323 HydrophobicContact CG-CD1 4.13Å; F294-L323 HydrophobicContact CG-CD2 3.97Å
295Y92Very high91.2Very high92 Ų9282 Ų8236%0.36141%0.411SS..Hα-helixtrans-61.4-43.2174.6-171.5-84.4000112.4L291 R292 L293 C298 F299 R320 L323L291-Y295 WeakPolarHBondContact O-CB 2.87Å; L291-Y295 PolarHBondContact O-N 3.35Å; R292-Y295 PolarHBondContact O-N 3.4Å; L293-Y295 VanDerWaalsContact C-N 3.33Å; L293-Y295 PolarHBondContact O-N 2.88Å; Y295-C298 PolarHBondContact O-N 2.91Å; Y295-F299 PolarHBondContact O-N 3.06Å; Y295-R320 HydrophobicContact CD1-CG 4.27Å; Y295-R320 HydrophobicContact CD2-CB 4.17Å; Y295-R320 HydrophobicContact CD2-CG 4.05Å; Y295-R320 HydrophobicContact CE1-CG 4.12Å; Y295-R320 HydrophobicContact CE2-CB 3.75Å; Y295-R320 HydrophobicContact CE2-CG 3.9Å; Y295-R320 HydrophobicContact CG-CG 4.25Å; Y295-L323 HydrophobicContact CD2-CD2 4.45Å
296I93.9Very high91Very high90 Ų9079.5 Ų79.546%0.46240%0.401SS..Hα-helixtrans-63.9-42.7174.8-66.3165000110.4R292 L293 F294 C298 F299 L300R292-I296 WeakPolarHBondContact O-CG1 3.48Å; R292-I296 PolarHBondContact O-N 3.05Å; R292-I296 VanDerWaalsContact O-N 3.12Å; L293-I296 PolarHBondContact O-N 3Å; F294-I296 PolarHBondContact O-N 2.95Å; I296-C298 PolarHBondContact O-N 3.36Å; I296-F299 WeakPolarHBondContact O-CB 3.33Å; I296-F299 PolarHBondContact O-N 3.49Å; I296-L300 HydrophobicContact CG2-CD1 4.13Å; I296-L300 HydrophobicContact CG2-CG 4.41Å; I296-L300 WeakPolarHBondContact O-CG 3.4Å; I296-L300 PolarHBondContact O-N 3.04Å
297L93.8Very high91.1Very high73 Ų7377 Ų7738%0.38240%0.395SS..Hα-helixtrans-59.9-46.7176.3178.762.3000111.5L289 L293 F294 F299 L300 L301L289-L297 HydrophobicContact CD1-CD2 4.03Å; L293-L297 WeakPolarHBondContact O-CB 3.34Å; L293-L297 PolarHBondContact O-N 3.28Å; F294-L297 HydrophobicContact CD2-CD2 4.33Å; F294-L297 WeakPolarHBondContact O-CB 3.45Å; F294-L297 PolarHBondContact O-N 3.09Å; L297-F299 VanDerWaalsContact C-N 3.32Å; L297-F299 PolarHBondContact O-N 3.46Å; L297-L300 PolarHBondContact O-N 2.79Å; L297-L301 HydrophobicContact CD1-CD1 4.38Å; L297-L301 HydrophobicContact CD1-CG 4.38Å; L297-L301 HydrophobicContact CG-CD1 4.18Å; L297-L301 WeakPolarHBondContact O-CG 3.31Å; L297-L301 PolarHBondContact O-N 2.93Å
298C91.5Very high91.1Very high0 Ų078.3 Ų78.30%040%0.402CS..Hα-helixtrans-59.2-41.9174.7-71.60000111.9F294 Y295 I296 L300 L301 E302 R320F294-C298 PolarHBondContact O-N 3.44Å; F294-C298 PolarHBondContact O-SG 2.87Å; F294-C298 VanDerWaalsContact O-SG 3.4Å; Y295-C298 PolarHBondContact O-N 2.91Å; I296-C298 PolarHBondContact O-N 3.36Å; C298-L300 PolarHBondContact O-N 3.32Å; C298-L301 PolarHBondContact O-N 3.18Å; C298-E302 WeakPolarHBondContact O-CB 3.38Å; C298-E302 VanDerWaalsContact O-CG 3.27Å; C298-E302 WeakPolarHBondContact O-CG 3.28Å; C298-E302 PolarHBondContact O-N 2.95Å; C298-R320 HydrophobicContact CB-CG 3.7Å
299F92.4Very high91.2Very high100 Ų10080.8 Ų80.844%0.43940%0.4SS..Hα-helixtrans-58.1-47.3174.7176.8-108.6000112.3Y295 I296 L297 E302 A303 R320Y295-F299 PolarHBondContact O-N 3.06Å; I296-F299 WeakPolarHBondContact O-CB 3.33Å; I296-F299 PolarHBondContact O-N 3.49Å; L297-F299 VanDerWaalsContact C-N 3.32Å; L297-F299 PolarHBondContact O-N 3.46Å; F299-E302 PolarHBondContact O-N 3.21Å; F299-A303 WeakPolarHBondContact O-CB 3.05Å; F299-A303 PolarHBondContact O-N 3.35Å; F299-R320 HydrophobicContact CB-CG 4.48Å
300L93.8Very high91.1Very high99 Ų9982.8 Ų82.852%0.51842%0.417SS..Hα-helixtrans-65.6-40.1-179.1-66.9174000111.5I296 L297 C298 A303 L304I296-L300 HydrophobicContact CG2-CD1 4.13Å; I296-L300 HydrophobicContact CG2-CG 4.41Å; I296-L300 WeakPolarHBondContact O-CG 3.4Å; I296-L300 PolarHBondContact O-N 3.04Å; L297-L300 PolarHBondContact O-N 2.79Å; C298-L300 PolarHBondContact O-N 3.32Å; L300-A303 PolarHBondContact O-N 2.89Å; L300-L304 WeakPolarHBondContact O-CB 3.35Å; L300-L304 PolarHBondContact O-N 3.27Å
301L91.1Very high91Very high64 Ų6487 Ų8734%0.33543%0.426SS..Hα-helixtrans-65-44.3175.4-70.6174.1000111.8L297 C298 A303 L304 C305L297-L301 HydrophobicContact CD1-CD1 4.38Å; L297-L301 HydrophobicContact CD1-CG 4.38Å; L297-L301 HydrophobicContact CG-CD1 4.18Å; L297-L301 WeakPolarHBondContact O-CG 3.31Å; L297-L301 PolarHBondContact O-N 2.93Å; C298-L301 PolarHBondContact O-N 3.18Å; L301-A303 VanDerWaalsContact C-N 3.35Å; L301-A303 PolarHBondContact O-N 3.03Å; L301-L304 PolarHBondContact O-N 3.23Å; L301-C305 WeakPolarHBondContact O-CB 3.45Å; L301-C305 PolarHBondContact O-N 2.98Å; L301-C305 PolarHBondContact O-SG 3.33Å; L301-C305 VanDerWaalsContact O-SG 3.38Å
302E90.3Very high90.8Very high34 Ų3488.1 Ų88.116%0.15944%0.436CS..Hα-helixtrans-58.6-45.6174.2-75.9168.8-165.300111.8C298 F299 C305 T306 N319 R320C298-E302 WeakPolarHBondContact O-CB 3.38Å; C298-E302 VanDerWaalsContact O-CG 3.27Å; C298-E302 WeakPolarHBondContact O-CG 3.28Å; C298-E302 PolarHBondContact O-N 2.95Å; F299-E302 PolarHBondContact O-N 3.21Å; E302-C305 PolarHBondContact O-N 3.44Å; E302-T306 WeakPolarHBondContact O-CB 3.23Å; E302-T306 PolarHBondContact O-N 3.42Å; E302-T306 PolarHBondContact O-OG1 3.35Å; E302-N319 HydrophobicContact CG-CB 4.36Å; E302-N319 WeakPolarHBondContact OE1-CA 3.38Å; E302-N319 VanDerWaalsContact OE1-CB 3.31Å; E302-N319 WeakPolarHBondContact OE1-CB 3.34Å; E302-R320 WeakPolarHBondContact OE1-CB 3.47Å; E302-R320 PolarHBondContact OE1-N 3.34Å; E302-R320 IonicContact OE1-NE 3.74Å; E302-R320 IonicContact OE2-CZ 2.75Å; E302-R320 VanDerWaalsContact OE2-CZ 3.25Å; E302-R320 IonicContact OE2-NE 3.75Å; E302-R320 PolarHBondContact OE2-NE 2.8Å; E302-R320 IonicContact OE2-NH2 3.18Å; E302-R320 PolarHBondContact OE2-NH2 2.79Å
303A90.4Very high90.2Very high37 Ų3783.4 Ų83.431%0.30642%0.418SS..Hα-helixtrans-62.8-44.6178.400000111.4F299 L300 L301 T306 I307F299-A303 WeakPolarHBondContact O-CB 3.05Å; F299-A303 PolarHBondContact O-N 3.35Å; L300-A303 PolarHBondContact O-N 2.89Å; L301-A303 VanDerWaalsContact C-N 3.35Å; L301-A303 PolarHBondContact O-N 3.03Å; A303-T306 WeakPolarHBondContact O-CB 3.26Å; A303-T306 PolarHBondContact O-N 3.46Å; A303-I307 VanDerWaalsContact O-CG1 3.3Å; A303-I307 WeakPolarHBondContact O-CG1 3.46Å; A303-I307 PolarHBondContact O-N 3.45Å
304L90.8Very high89.7Confident91 Ų9182.9 Ų82.948%0.47642%0.415SS..Hα-helixtrans-61.5-49.1176-179.662.4000111.6L300 L301 T306 I307 L308L300-L304 WeakPolarHBondContact O-CB 3.35Å; L300-L304 PolarHBondContact O-N 3.27Å; L301-L304 PolarHBondContact O-N 3.23Å; L304-T306 VanDerWaalsContact C-N 3.25Å; L304-T306 PolarHBondContact O-N 3.07Å; L304-I307 PolarHBondContact O-N 2.84Å; L304-L308 HydrophobicContact CD1-CD1 3.99Å; L304-L308 HydrophobicContact CD1-CG 4.19Å; L304-L308 HydrophobicContact CG-CD1 3.98Å; L304-L308 HydrophobicContact CG-CG 4.49Å; L304-L308 WeakPolarHBondContact O-CG 3.31Å; L304-L308 PolarHBondContact O-N 3.04Å
305C88.4Confident89Confident22 Ų2283.7 Ų83.715%0.14942%0.423CS..Hα-helixtrans-59.3-37.4176.2-75.50000112L301 E302 L308 R309 I314L301-C305 WeakPolarHBondContact O-CB 3.45Å; L301-C305 PolarHBondContact O-N 2.98Å; L301-C305 PolarHBondContact O-SG 3.33Å; L301-C305 VanDerWaalsContact O-SG 3.38Å; E302-C305 PolarHBondContact O-N 3.44Å; C305-L308 PolarHBondContact O-N 3.47Å; C305-R309 WeakPolarHBondContact O-CB 3.23Å; C305-R309 PolarHBondContact O-N 3.4Å; C305-I314 PolarHBondContact SG-O 3.21Å; C305-I314 VanDerWaalsContact SG-O 3.33Å
306T87Confident88.5Confident96 Ų9680.2 Ų80.259%0.58941%0.411SS*.Hα-helixtrans-66-42.4176.7-57.90000111.7E302 A303 L304 R309E302-T306 WeakPolarHBondContact O-CB 3.23Å; E302-T306 PolarHBondContact O-N 3.42Å; E302-T306 PolarHBondContact O-OG1 3.35Å; A303-T306 WeakPolarHBondContact O-CB 3.26Å; A303-T306 PolarHBondContact O-N 3.46Å; L304-T306 VanDerWaalsContact C-N 3.25Å; L304-T306 PolarHBondContact O-N 3.07Å; T306-R309 WeakPolarHBondContact O-CB 3.26Å; T306-R309 PolarHBondContact O-N 3.33Å
307I90.8Very high87.7Confident120 Ų12081.3 Ų81.362%0.61542%0.424SS*.Hα-helixtrans-65.8-39.6176.8-68.4164.1000111A303 L304 R309 P310A303-I307 VanDerWaalsContact O-CG1 3.3Å; A303-I307 WeakPolarHBondContact O-CG1 3.46Å; A303-I307 PolarHBondContact O-N 3.45Å; L304-I307 PolarHBondContact O-N 2.84Å; I307-R309 VanDerWaalsContact C-N 3.35Å; I307-P310 VanDerWaalsContact O-CD 3.24Å; I307-P310 WeakPolarHBondContact O-CD 3.35Å
308L90.6Very high87.3Confident61 Ų6178.9 Ų78.932%0.31941%0.411SS..Hα-helixtrans-78.1-17.9-179.5-66177.8000113.5L304 C305 P310 F311 V312 I314L304-L308 HydrophobicContact CD1-CD1 3.99Å; L304-L308 HydrophobicContact CD1-CG 4.19Å; L304-L308 HydrophobicContact CG-CD1 3.98Å; L304-L308 HydrophobicContact CG-CG 4.49Å; L304-L308 WeakPolarHBondContact O-CG 3.31Å; L304-L308 PolarHBondContact O-N 3.04Å; C305-L308 PolarHBondContact O-N 3.47Å; L308-P310 VanDerWaalsContact C-N 3.31Å; L308-P310 VanDerWaalsContact O-N 3.11Å; L308-F311 PolarHBondContact O-N 2.68Å; L308-V312 CarbonylContact C-O 3.42Å; L308-V312 PolarHBondContact O-N 2.97Å; L308-V312 VanDerWaalsContact O-O 3.04Å; L308-I314 HydrophobicContact CD1-CD1 4.2Å
309R86.5Confident87.1Confident156 Ų15679 Ų7959%0.58941%0.412SS*.THydrogen-bonded Turntrans-48.1-38.4-175.4-169177.2-179.5177.82.1115.2E95 C305 T306 I307 F311 V312E95-R309 IonicContact OE2-NH2 2.82Å; C305-R309 WeakPolarHBondContact O-CB 3.23Å; C305-R309 PolarHBondContact O-N 3.4Å; T306-R309 WeakPolarHBondContact O-CB 3.26Å; T306-R309 PolarHBondContact O-N 3.33Å; I307-R309 VanDerWaalsContact C-N 3.35Å; R309-F311 PolarHBondContact O-N 3.15Å; R309-V312 WeakPolarHBondContact CA-O 3.31Å
310P88.1Confident86.9Confident107 Ų10777.4 Ų77.470%0.69540%0.403SS*.THydrogen-bonded Turntrans-65.9-22.3177.2-22.135.1000114.3I307 L308I307-P310 VanDerWaalsContact O-CD 3.24Å; I307-P310 WeakPolarHBondContact O-CD 3.35Å; L308-P310 VanDerWaalsContact C-N 3.31Å; L308-P310 VanDerWaalsContact O-N 3.11Å
311F90Very high86.5Confident173 Ų17374.4 Ų74.476%0.75939%0.386SS*.THydrogen-bonded Turntrans-106.9-43.6-175.7-55.3-77.1000112L308 R309L308-F311 PolarHBondContact O-N 2.68Å; R309-F311 PolarHBondContact O-N 3.15Å
312V86.6Confident86.4Confident83 Ų8372.3 Ų72.350%0.50338%0.375SS..  trans-145.3134.2-177.7-1740000109.3L308 R309 I314L308-V312 CarbonylContact C-O 3.42Å; L308-V312 PolarHBondContact O-N 2.97Å; L308-V312 VanDerWaalsContact O-O 3.04Å; R309-V312 WeakPolarHBondContact CA-O 3.31Å; V312-I314 HydrophobicContact CB-CG1 4.42Å; V312-I314 HydrophobicContact CG1-CD1 4.28Å; V312-I314 HydrophobicContact CG1-CG1 3.76Å; V312-I314 PolarHBondContact O-N 3.24Å
313R80.6Confident86.4Confident119 Ų11970.9 Ų70.945%0.44937%0.369SS..  trans-88.5103.2171.8-170.7178.8-178.7-179.16.9109.9S93 M94 E95S93-R313 PolarHBondContact O-NH2 2.91Å; M94-R313 PolarHBondContact O-NH2 3.09Å; E95-R313 IonicContact OE1-CZ 3.49Å; E95-R313 IonicContact OE1-NE 2.66Å; E95-R313 IonicContact OE1-NH1 3.53Å; E95-R313 PolarHBondContact OE1-NH1 3.27Å; E95-R313 IonicContact OE1-NH2 2.98Å; E95-R313 PolarHBondContact OE1-NH2 3.05Å; E95-R313 VanDerWaalsContact OE1-NH2 3.13Å
314I82.2Confident86.4Confident88 Ų8870.7 Ų70.745%0.45136%0.364SS..  trans-111126.8173.6-56.1176.9000108.2C305 L308 V312C305-I314 PolarHBondContact SG-O 3.21Å; C305-I314 VanDerWaalsContact SG-O 3.33Å; L308-I314 HydrophobicContact CD1-CD1 4.2Å; V312-I314 HydrophobicContact CB-CG1 4.42Å; V312-I314 HydrophobicContact CG1-CD1 4.28Å; V312-I314 HydrophobicContact CG1-CG1 3.76Å; V312-I314 PolarHBondContact O-N 3.24Å
315V78.6Confident86.3Confident53 Ų5367 Ų6732%0.32135%0.345SS..  trans-101.5119.7177.8-175.80000108T91T91-V315 VanDerWaalsContact O-CG1 3.26Å; T91-V315 WeakPolarHBondContact O-CG1 3.22Å
316P81Confident86.5Confident19 Ų1967.3 Ų67.312%0.12334%0.344CS..  trans-68.8142.4177.929.7-33.3000109.9M318P316-M318 PolarHBondContact O-N 2.98Å
317P77.9Confident86.8Confident113 Ų11363.9 Ų63.973%0.73432%0.323SS*.SBendtrans-67.3-18.8179.427.8-35.4000112.9
318M85Confident86.9Confident22 Ų2258.7 Ų58.711%0.10830%0.297CS..  trans-143.1138.3178.5-173.761.251.100109.3M217 F294 P316 L322 L323 L326M217-M318 HydrophobicContact CE-CE 3.38Å; F294-M318 HydrophobicContact CE2-CG 4.18Å; F294-M318 HydrophobicContact CZ-CB 4.37Å; F294-M318 HydrophobicContact CZ-CG 3.86Å; P316-M318 PolarHBondContact O-N 2.98Å; M318-L322 HydrophobicContact CE-CD2 3.76Å; M318-L322 HydrophobicContact CE-CG 4.11Å; M318-L322 HydrophobicContact SD-CB 3.79Å; M318-L322 HydrophobicContact SD-CD2 3.67Å; M318-L322 HydrophobicContact SD-CG 3.59Å; M318-L322 VanDerWaalsContact SD-CG 3.59Å; M318-L323 HydrophobicContact SD-CB 4.27Å; M318-L326 HydrophobicContact CE-CD1 4.15Å; M318-L326 HydrophobicContact SD-CD1 4.43Å
319N87.3Confident87Confident2 Ų256.9 Ų56.91%0.01129%0.289CS..  trans-124.5166.7174.165.353.5000109.6E302 Q321 L322 L323E302-N319 HydrophobicContact CG-CB 4.36Å; E302-N319 WeakPolarHBondContact OE1-CA 3.38Å; E302-N319 VanDerWaalsContact OE1-CB 3.31Å; E302-N319 WeakPolarHBondContact OE1-CB 3.34Å; N319-Q321 PolarHBondContact O-N 3.33Å; N319-Q321 WeakPolarHBondContact OD1-CB 3.38Å; N319-Q321 PolarHBondContact OD1-N 3.4Å; N319-Q321 VanDerWaalsContact OD1-N 3.09Å; N319-L322 PolarHBondContact O-N 3.48Å; N319-L322 WeakPolarHBondContact OD1-CB 3.44Å; N319-L322 PolarHBondContact OD1-N 3.25Å; N319-L323 WeakPolarHBondContact O-CB 3.3Å; N319-L323 PolarHBondContact O-N 2.76Å
320R88.4Confident87.4Confident67 Ų6750.1 Ų50.125%0.25326%0.264SS..Hα-helixtrans-60.3-33.6-177.6-74.3-175.9-72.8156.70.9112.7Y295 C298 F299 E302 T324Y295-R320 HydrophobicContact CD1-CG 4.27Å; Y295-R320 HydrophobicContact CD2-CB 4.17Å; Y295-R320 HydrophobicContact CD2-CG 4.05Å; Y295-R320 HydrophobicContact CE1-CG 4.12Å; Y295-R320 HydrophobicContact CE2-CB 3.75Å; Y295-R320 HydrophobicContact CE2-CG 3.9Å; Y295-R320 HydrophobicContact CG-CG 4.25Å; C298-R320 HydrophobicContact CB-CG 3.7Å; F299-R320 HydrophobicContact CB-CG 4.48Å; E302-R320 WeakPolarHBondContact OE1-CB 3.47Å; E302-R320 PolarHBondContact OE1-N 3.34Å; E302-R320 IonicContact OE1-NE 3.74Å; E302-R320 IonicContact OE2-CZ 2.75Å; E302-R320 VanDerWaalsContact OE2-CZ 3.25Å; E302-R320 IonicContact OE2-NE 3.75Å; E302-R320 PolarHBondContact OE2-NE 2.8Å; E302-R320 IonicContact OE2-NH2 3.18Å; E302-R320 PolarHBondContact OE2-NH2 2.79Å; R320-T324 WeakPolarHBondContact O-CB 3.48Å; R320-T324 PolarHBondContact O-N 2.81Å; R320-T324 PolarHBondContact O-OG1 3.17Å
321Q85Confident87.8Confident36 Ų3645.8 Ų45.817%0.16824%0.235CC..Hα-helixtrans-71.6-45.3-177.8-56.4177.131.300110.5K154 F155 N319 L323 T324 L325K154-Q321 HydrophobicContact CB-CG 4.09Å; K154-Q321 VanDerWaalsContact CB-NE2 3.31Å; K154-Q321 HydrophobicContact CD-CG 4.38Å; F155-Q321 VanDerWaalsContact CA-OE1 3.31Å; F155-Q321 HydrophobicContact CD1-CB 4.28Å; F155-Q321 HydrophobicContact CD2-CB 4.09Å; F155-Q321 HydrophobicContact CE1-CB 3.75Å; F155-Q321 HydrophobicContact CE2-CB 3.53Å; F155-Q321 HydrophobicContact CG-CB 4.45Å; F155-Q321 VanDerWaalsContact CZ-C 3.46Å; F155-Q321 HydrophobicContact CZ-CB 3.37Å; N319-Q321 PolarHBondContact O-N 3.33Å; N319-Q321 WeakPolarHBondContact OD1-CB 3.38Å; N319-Q321 PolarHBondContact OD1-N 3.4Å; N319-Q321 VanDerWaalsContact OD1-N 3.09Å; Q321-L323 VanDerWaalsContact C-N 3.34Å; Q321-L323 PolarHBondContact O-N 3.39Å; Q321-T324 WeakPolarHBondContact O-CB 3.23Å; Q321-T324 PolarHBondContact O-N 3.45Å; Q321-T324 VanDerWaalsContact O-N 3.15Å; Q321-L325 WeakPolarHBondContact O-CB 3.25Å; Q321-L325 PolarHBondContact O-N 3.29Å
322L88.2Confident88.1Confident19 Ų1937.6 Ų37.610%0.09920%0.199CC..Hα-helixtrans-64.3-41.9176.8-177.958.4000110.4F155 M318 N319 T324 L325 L326F155-L322 HydrophobicContact CZ-CB 3.99Å; F155-L322 VanDerWaalsContact CZ-N 3.26Å; M318-L322 HydrophobicContact CE-CD2 3.76Å; M318-L322 HydrophobicContact CE-CG 4.11Å; M318-L322 HydrophobicContact SD-CB 3.79Å; M318-L322 HydrophobicContact SD-CD2 3.67Å; M318-L322 HydrophobicContact SD-CG 3.59Å; M318-L322 VanDerWaalsContact SD-CG 3.59Å; N319-L322 PolarHBondContact O-N 3.48Å; N319-L322 WeakPolarHBondContact OD1-CB 3.44Å; N319-L322 PolarHBondContact OD1-N 3.25Å; L322-T324 VanDerWaalsContact C-N 3.31Å; L322-T324 PolarHBondContact O-N 3.07Å; L322-L325 HydrophobicContact CD1-CD2 4.38Å; L322-L325 PolarHBondContact O-N 2.86Å; L322-L326 HydrophobicContact CD1-CD1 4.12Å; L322-L326 HydrophobicContact CD1-CG 4.08Å; L322-L326 HydrophobicContact CG-CD1 4.01Å; L322-L326 HydrophobicContact CG-CG 4.4Å; L322-L326 WeakPolarHBondContact O-CB 3.05Å; L322-L326 VanDerWaalsContact O-CG 3.23Å; L322-L326 WeakPolarHBondContact O-CG 3.37Å; L322-L326 PolarHBondContact O-N 3.19Å
323L90.8Very high88.6Confident5 Ų534.6 Ų34.63%0.02618%0.182CC..Hα-helixtrans-59.4-42.7173.2-176.365.9000111.9L291 F294 Y295 M318 N319 Q321 N327L291-L323 HydrophobicContact CD2-CD1 4.13Å; F294-L323 HydrophobicContact CB-CD2 3.98Å; F294-L323 HydrophobicContact CD1-CD1 3.45Å; F294-L323 VanDerWaalsContact CD1-CD1 3.45Å; F294-L323 HydrophobicContact CD1-CD2 4.15Å; F294-L323 HydrophobicContact CD1-CG 4.46Å; F294-L323 HydrophobicContact CE1-CD1 3.72Å; F294-L323 HydrophobicContact CG-CD1 4.13Å; F294-L323 HydrophobicContact CG-CD2 3.97Å; Y295-L323 HydrophobicContact CD2-CD2 4.45Å; M318-L323 HydrophobicContact SD-CB 4.27Å; N319-L323 WeakPolarHBondContact O-CB 3.3Å; N319-L323 PolarHBondContact O-N 2.76Å; Q321-L323 VanDerWaalsContact C-N 3.34Å; Q321-L323 PolarHBondContact O-N 3.39Å; L323-N327 WeakPolarHBondContact O-CB 3.46Å; L323-N327 PolarHBondContact O-N 3.07Å; L323-N327 PolarHBondContact O-ND2 3.17Å
324T90.1Very high89.4Confident32 Ų3230.4 Ų30.420%0.19617%0.166CC..Hα-helixtrans-66.1-45177.8-54.90000111P133 R320 Q321 L322 N327 T328P133-T324 HydrophobicContact CB-CG2 3.78Å; P133-T324 HydrophobicContact CG-CG2 3.85Å; R320-T324 WeakPolarHBondContact O-CB 3.48Å; R320-T324 PolarHBondContact O-N 2.81Å; R320-T324 PolarHBondContact O-OG1 3.17Å; Q321-T324 WeakPolarHBondContact O-CB 3.23Å; Q321-T324 PolarHBondContact O-N 3.45Å; Q321-T324 VanDerWaalsContact O-N 3.15Å; L322-T324 VanDerWaalsContact C-N 3.31Å; L322-T324 PolarHBondContact O-N 3.07Å; T324-N327 CarbonylContact O-C 3.58Å; T324-N327 PolarHBondContact O-N 3.14Å; T324-T328 VanDerWaalsContact O-CB 3.31Å; T324-T328 WeakPolarHBondContact O-CB 3.34Å; T324-T328 PolarHBondContact O-N 2.86Å; T324-T328 PolarHBondContact O-OG1 2.73Å
325L89.9Confident90.2Very high15 Ų1529.8 Ų29.88%0.07916%0.162CC..Hα-helixtrans-59.1-48.7177.917668.2000111.1P133 F155 Q321 L322 N327P133-L325 HydrophobicContact CG-CB 4.22Å; F155-L325 HydrophobicContact CE2-CB 4.46Å; F155-L325 HydrophobicContact CE2-CD2 4.31Å; Q321-L325 WeakPolarHBondContact O-CB 3.25Å; Q321-L325 PolarHBondContact O-N 3.29Å; L322-L325 HydrophobicContact CD1-CD2 4.38Å; L322-L325 PolarHBondContact O-N 2.86Å; L325-N327 PolarHBondContact O-N 3.3Å
326L91.8Very high91.1Very high27 Ų2729.5 Ų29.514%0.14116%0.156CC..Hα-helixtrans-67-19.5-179.2-68.4174.3000113.6M217 S218 Y268 M318 L322M217-L326 HydrophobicContact CB-CD1 4.29Å; S218-L326 WeakPolarHBondContact CB-O 3.48Å; Y268-L326 HydrophobicContact CD1-CD2 4.32Å; Y268-L326 HydrophobicContact CD2-CB 4.45Å; Y268-L326 HydrophobicContact CD2-CD2 3.54Å; Y268-L326 HydrophobicContact CE2-CD2 3.93Å; Y268-L326 HydrophobicContact CG-CD2 3.75Å; M318-L326 HydrophobicContact CE-CD1 4.15Å; M318-L326 HydrophobicContact SD-CD1 4.43Å; L322-L326 HydrophobicContact CD1-CD1 4.12Å; L322-L326 HydrophobicContact CD1-CG 4.08Å; L322-L326 HydrophobicContact CG-CD1 4.01Å; L322-L326 HydrophobicContact CG-CG 4.4Å; L322-L326 WeakPolarHBondContact O-CB 3.05Å; L322-L326 VanDerWaalsContact O-CG 3.23Å; L322-L326 WeakPolarHBondContact O-CG 3.37Å; L322-L326 PolarHBondContact O-N 3.19Å
327N93Very high91.9Very high25 Ų2528.6 Ų28.613%0.13415%0.15CC..THydrogen-bonded Turntrans-119.214.2-174-69.4-85.3000113.7M217 S218 V219 L291 L323 T324 L325M217-N327 PolarHBondContact O-ND2 2.82Å; S218-N327 VanDerWaalsContact CA-OD1 3.31Å; S218-N327 WeakPolarHBondContact CA-OD1 3.35Å; V219-N327 PolarHBondContact N-OD1 3.17Å; L291-N327 HydrophobicContact CD1-CB 4.14Å; L291-N327 HydrophobicContact CD2-CB 4.2Å; L291-N327 WeakPolarHBondContact CD2-OD1 3.34Å; L323-N327 WeakPolarHBondContact O-CB 3.46Å; L323-N327 PolarHBondContact O-N 3.07Å; L323-N327 PolarHBondContact O-ND2 3.17Å; T324-N327 CarbonylContact O-C 3.58Å; T324-N327 PolarHBondContact O-N 3.14Å; L325-N327 PolarHBondContact O-N 3.3Å
328T92.2Very high92.8Very high11 Ų1127.2 Ų27.27%0.06713%0.133CC..SBendtrans-116.7131.7172.7-55.40000108.5P139 T324 F330P139-T328 HydrophobicContact CB-CG2 4.35Å; T324-T328 VanDerWaalsContact O-CB 3.31Å; T324-T328 WeakPolarHBondContact O-CB 3.34Å; T324-T328 PolarHBondContact O-N 2.86Å; T324-T328 PolarHBondContact O-OG1 2.73Å; T328-F330 HydrophobicContact CG2-CD2 4.03Å; T328-F330 HydrophobicContact CG2-CE2 3.38Å; T328-F330 HydrophobicContact CG2-CZ 3.78Å; T328-F330 WeakPolarHBondContact O-CD2 3.45Å; T328-F330 PolarHBondContact O-N 2.87Å
329S94.6Very high93.4Very high22 Ų2232.9 Ų32.915%0.15416%0.159CC..  trans-70.6124.1-179.9-45.40000110.7P139 I140 E221 A222 H223P139-S329 CarbonylContact C-O 3.57Å; P139-S329 WeakPolarHBondContact CA-O 3.41Å; P139-S329 VanDerWaalsContact CB-O 3.26Å; P139-S329 WeakPolarHBondContact CB-O 3.35Å; I140-S329 PolarHBondContact N-O 3.18Å; E221-S329 PolarHBondContact O-OG 3.42Å; A222-S329 WeakPolarHBondContact CA-OG 3.43Å; H223-S329 PolarHBondContact N-OG 3.09Å; H223-S329 CarbonylContact O-C 3.41Å; H223-S329 VanDerWaalsContact O-CA 3.23Å; H223-S329 WeakPolarHBondContact O-CA 3.27Å; H223-S329 WeakPolarHBondContact O-CB 3.26Å
330F93.7Very high93.8Very high14 Ų1434.3 Ų34.36%0.06117%0.166CC..EExtended strand (participates in β ladder)trans-13499.8177.9-79.8-71.7000109.1P133 I140 Y149 H223 V224 T328 F332P133-F330 HydrophobicContact CB-CE2 3.91Å; P133-F330 HydrophobicContact CB-CZ 4.03Å; I140-F330 HydrophobicContact CB-CD1 3.78Å; I140-F330 HydrophobicContact CB-CE1 4.04Å; I140-F330 HydrophobicContact CD1-CD1 3.92Å; I140-F330 HydrophobicContact CD1-CE1 3.66Å; I140-F330 HydrophobicContact CG1-CD1 3.92Å; I140-F330 HydrophobicContact CG1-CE1 3.65Å; I140-F330 WeakPolarHBondContact O-CA 3.38Å; Y149-F330 WeakPolarHBondContact OH-CZ 3.46Å; H223-F330 PolarHBondContact O-N 3.38Å; V224-F330 WeakPolarHBondContact CA-O 3.31Å; V224-F330 HydrophobicContact CG1-CB 4.45Å; T328-F330 HydrophobicContact CG2-CD2 4.03Å; T328-F330 HydrophobicContact CG2-CE2 3.38Å; T328-F330 HydrophobicContact CG2-CZ 3.78Å; T328-F330 WeakPolarHBondContact O-CD2 3.45Å; T328-F330 PolarHBondContact O-N 2.87Å; F330-F332 HydrophobicContact CB-CE2 4.01Å; F330-F332 HydrophobicContact CD1-CE2 4.24Å; F330-F332 AromaticContact CD1-CZ 3.99Å; F330-F332 HydrophobicContact CD1-CZ 3.99Å
331T96.4Very high94.3Very high16 Ų1631.2 Ų31.210%0.09816%0.155CC..EExtended strand (participates in β ladder)trans-122.7137.9175.253.10000109.9I140 I141 N142 G143 H223 N225 P265I140-T331 PolarHBondContact O-N 3.13Å; I141-T331 WeakPolarHBondContact CA-OG1 3.4Å; N142-T331 CarbonylContact C-O 3.6Å; N142-T331 WeakPolarHBondContact CA-O 3.45Å; N142-T331 PolarHBondContact N-O 3.48Å; N142-T331 PolarHBondContact N-OG1 2.8Å; G143-T331 PolarHBondContact N-O 2.81Å; H223-T331 HydrophobicContact CB-CG2 4.49Å; N225-T331 HydrophobicContact CB-CG2 4.31Å; N225-T331 VanDerWaalsContact OD1-CA 3.32Å; N225-T331 WeakPolarHBondContact OD1-CA 3.4Å; P265-T331 HydrophobicContact CB-CG2 4.26Å
332F97.1Very high94.8Very high2 Ų230.8 Ų30.81%0.00916%0.16CC..EExtended strand (participates in β ladder)trans-130.3141.5-177-60.3-88.2000111.3V128 M131 I140 G143 T190 N225 Y258 S260 F330V128-F332 HydrophobicContact CB-CD2 4.14Å; V128-F332 HydrophobicContact CB-CE2 3.69Å; V128-F332 HydrophobicContact CB-CZ 4.27Å; V128-F332 HydrophobicContact CG1-CD2 3.64Å; V128-F332 HydrophobicContact CG1-CE2 3.72Å; V128-F332 HydrophobicContact CG1-CG 4.27Å; V128-F332 HydrophobicContact CG1-CZ 4.43Å; V128-F332 HydrophobicContact CG2-CE2 4.4Å; M131-F332 HydrophobicContact CB-CZ 4.4Å; M131-F332 HydrophobicContact CG-CE1 4.29Å; M131-F332 HydrophobicContact CG-CZ 4.34Å; I140-F332 HydrophobicContact CB-CE1 4.42Å; I140-F332 HydrophobicContact CB-CZ 4.43Å; I140-F332 HydrophobicContact CD1-CE1 3.96Å; I140-F332 HydrophobicContact CD1-CZ 3.98Å; I140-F332 HydrophobicContact CG2-CD1 4.3Å; I140-F332 HydrophobicContact CG2-CE1 3.84Å; I140-F332 HydrophobicContact CG2-CZ 4.31Å; G143-F332 CarbonylContact O-C 3.58Å; G143-F332 VanDerWaalsContact O-CA 3.27Å; G143-F332 WeakPolarHBondContact O-CA 3.37Å; T190-F332 HydrophobicContact CG2-CD2 4.17Å; N225-F332 PolarHBondContact ND2-N 3.14Å; N225-F332 PolarHBondContact ND2-O 3.46Å; N225-F332 PolarHBondContact OD1-N 2.97Å; Y258-F332 HydrophobicContact CD1-CB 3.94Å; Y258-F332 AromaticContact CD1-CD1 3.72Å; Y258-F332 HydrophobicContact CD1-CD1 3.72Å; Y258-F332 HydrophobicContact CD1-CD2 4.48Å; Y258-F332 HydrophobicContact CD1-CE1 4.34Å; Y258-F332 AromaticContact CD1-CG 3.8Å; Y258-F332 HydrophobicContact CD1-CG 3.8Å; Y258-F332 HydrophobicContact CD2-CB 4.41Å; Y258-F332 HydrophobicContact CD2-CD1 4.12Å; Y258-F332 AromaticContact CE1-CD1 3.45Å; Y258-F332 HydrophobicContact CE1-CD1 3.45Å; Y258-F332 VanDerWaalsContact CE1-CD1 3.45Å; Y258-F332 AromaticContact CE1-CE1 3.63Å; Y258-F332 HydrophobicContact CE1-CE1 3.63Å; Y258-F332 AromaticContact CE1-CG 3.94Å; Y258-F332 HydrophobicContact CE1-CG 3.94Å; Y258-F332 HydrophobicContact CE1-CZ 4.26Å; Y258-F332 AromaticContact CE2-CD1 3.88Å; Y258-F332 HydrophobicContact CE2-CD1 3.88Å; Y258-F332 HydrophobicContact CE2-CE1 4.38Å; Y258-F332 HydrophobicContact CG-CB 3.86Å; Y258-F332 HydrophobicContact CG-CD1 4.04Å; Y258-F332 HydrophobicContact CG-CG 4.15Å; Y258-F332 AromaticContact CZ-CD1 3.53Å; Y258-F332 AromaticContact CZ-CE1 3.66Å; S260-F332 PolarHBondContact OG-O 2.95Å; F330-F332 HydrophobicContact CB-CE2 4.01Å; F330-F332 HydrophobicContact CD1-CE2 4.24Å; F330-F332 AromaticContact CD1-CZ 3.99Å; F330-F332 HydrophobicContact CD1-CZ 3.99Å
333S97.3Very high95.2Very high19 Ų1929.9 Ų29.913%0.13316%0.155CC..  trans-81.7140.7175.1-178.30000110.7N142 G143 Y258 E335N142-S333 WeakPolarHBondContact OD1-CB 3.33Å; G143-S333 PolarHBondContact O-N 3.42Å; Y258-S333 WeakPolarHBondContact CB-O 3.27Å; S333-E335 WeakPolarHBondContact OG-CG 3.22Å; S333-E335 PolarHBondContact OG-N 3.33Å
334Y97.4Very high95.5Very high32 Ų3233.7 Ų33.713%0.12518%0.179CC..  trans-97.98.817265.3-100.7000113.2S260 D262 K336 A337 K338 Y343 P345S260-Y334 WeakPolarHBondContact O-CD1 3.46Å; S260-Y334 WeakPolarHBondContact OG-CD1 3.44Å; D262-Y334 PolarHBondContact OD1-OH 3.44Å; Y334-K336 VanDerWaalsContact C-N 3.32Å; Y334-K336 PolarHBondContact O-N 3.29Å; Y334-A337 WeakPolarHBondContact O-CB 3.47Å; Y334-A337 PolarHBondContact O-N 3.11Å; Y334-K338 HydrophobicContact CD2-CB 4.41Å; Y334-K338 HydrophobicContact CE2-CD 4.31Å; Y334-K338 PolarHBondContact O-N 3.21Å; Y334-Y343 AromaticContact CD2-CD1 3.91Å; Y334-Y343 HydrophobicContact CD2-CD1 3.91Å; Y334-Y343 AromaticContact CD2-CE1 3.82Å; Y334-Y343 HydrophobicContact CD2-CE1 3.82Å; Y334-Y343 HydrophobicContact CG-CD1 4.31Å; Y334-Y343 AromaticContact CG-CE1 3.91Å; Y334-Y343 HydrophobicContact CG-CE1 3.91Å; Y334-P345 HydrophobicContact CE1-CG 4.27Å; Y334-P345 HydrophobicContact CE2-CG 4.18Å
335E97.6Very high95.8Very high75 Ų7533 Ų3335%0.3518%0.175SC..Hα-helixtrans-60.4-37-172.8-72.3-61.7138.400113S333 A337 K338 E339S333-E335 WeakPolarHBondContact OG-CG 3.22Å; S333-E335 PolarHBondContact OG-N 3.33Å; E335-A337 VanDerWaalsContact C-N 3.34Å; E335-A337 PolarHBondContact O-N 3.2Å; E335-K338 WeakPolarHBondContact O-CA 3.43Å; E335-K338 WeakPolarHBondContact O-CB 3.41Å; E335-K338 PolarHBondContact O-N 2.77Å; E335-K338 VanDerWaalsContact O-N 3.11Å; E335-K338 IonicContact OE1-NZ 3.21Å; E335-K338 PolarHBondContact OE1-NZ 3.46Å; E335-K338 IonicContact OE2-NZ 2.85Å; E335-K338 PolarHBondContact OE2-NZ 2.98Å; E335-E339 WeakPolarHBondContact O-CG 3.32Å; E335-E339 PolarHBondContact O-N 3.14Å
336K97.6Very high96Very high47 Ų4736.5 Ų36.520%0.20419%0.187CC..Hα-helixtrans-66.8-35.8176.1-158.6176.3-168.4156.20112.5E145 D146 Y257 Y334 K338 E339 D340E145-K336 HydrophobicContact CB-CD 3.7Å; E145-K336 VanDerWaalsContact CD-CD 3.44Å; E145-K336 HydrophobicContact CG-CD 3.6Å; E145-K336 WeakPolarHBondContact OE2-CB 3.19Å; E145-K336 WeakPolarHBondContact OE2-CD 3.42Å; D146-K336 IonicContact OD1-NZ 2.97Å; D146-K336 IonicContact OD2-NZ 3.7Å; Y257-K336 HydrophobicContact CD1-CB 4.38Å; Y257-K336 HydrophobicContact CD1-CG 4.29Å; Y257-K336 HydrophobicContact CE1-CG 4.04Å; Y334-K336 VanDerWaalsContact C-N 3.32Å; Y334-K336 PolarHBondContact O-N 3.29Å; K336-K338 VanDerWaalsContact C-N 3.28Å; K336-K338 PolarHBondContact O-N 2.84Å; K336-E339 PolarHBondContact O-N 3.25Å; K336-D340 WeakPolarHBondContact O-CB 3.3Å; K336-D340 PolarHBondContact O-N 2.87Å
337A98Very high96.3Very high0 Ų037.6 Ų37.60%019%0.189CC..Hα-helixtrans-64.4-36.7172.800000111Y257 L259 Y334 E335 L341 G342 Y343Y257-A337 HydrophobicContact CD1-CB 4.2Å; Y257-A337 HydrophobicContact CG-CB 4.46Å; L259-A337 HydrophobicContact CD2-CB 4.07Å; Y334-A337 WeakPolarHBondContact O-CB 3.47Å; Y334-A337 PolarHBondContact O-N 3.11Å; E335-A337 VanDerWaalsContact C-N 3.34Å; E335-A337 PolarHBondContact O-N 3.2Å; A337-L341 HydrophobicContact CB-CD1 4.23Å; A337-L341 WeakPolarHBondContact O-CA 3.5Å; A337-L341 WeakPolarHBondContact O-CB 3.47Å; A337-L341 PolarHBondContact O-N 2.83Å; A337-G342 PolarHBondContact O-N 2.9Å; A337-Y343 HydrophobicContact CB-CD1 4.02Å; A337-Y343 HydrophobicContact CB-CG 4.44Å; A337-Y343 WeakPolarHBondContact O-CB 3.34Å; A337-Y343 PolarHBondContact O-N 3.01Å
338K97.5Very high96.6Very high84 Ų8439.5 Ų39.537%0.36520%0.204SC..Hα-helixtrans-67.3-44.9175.6176.6177.7162-154.40112.5Y334 E335 K336 G342 Y343 V344Y334-K338 HydrophobicContact CD2-CB 4.41Å; Y334-K338 HydrophobicContact CE2-CD 4.31Å; Y334-K338 PolarHBondContact O-N 3.21Å; E335-K338 WeakPolarHBondContact O-CA 3.43Å; E335-K338 WeakPolarHBondContact O-CB 3.41Å; E335-K338 PolarHBondContact O-N 2.77Å; E335-K338 VanDerWaalsContact O-N 3.11Å; E335-K338 IonicContact OE1-NZ 3.21Å; E335-K338 PolarHBondContact OE1-NZ 3.46Å; E335-K338 IonicContact OE2-NZ 2.85Å; E335-K338 PolarHBondContact OE2-NZ 2.98Å; K336-K338 VanDerWaalsContact C-N 3.28Å; K336-K338 PolarHBondContact O-N 2.84Å; K338-G342 WeakPolarHBondContact O-CA 3.47Å; K338-G342 PolarHBondContact O-N 3.48Å; K338-G342 VanDerWaalsContact O-N 3.11Å; K338-Y343 WeakPolarHBondContact CA-O 3.41Å; K338-Y343 WeakPolarHBondContact CB-O 3.42Å; K338-Y343 WeakPolarHBondContact CG-O 3.23Å; K338-V344 HydrophobicContact CG-CG2 4.46Å
339E96.9Very high96.8Very high141 Ų14140.5 Ų40.566%0.65921%0.207SC*.Hα-helixtrans-65.6-54.7178.2-70.7174.1178.100112.1E335 K336E335-E339 WeakPolarHBondContact O-CG 3.32Å; E335-E339 PolarHBondContact O-N 3.14Å; K336-E339 PolarHBondContact O-N 3.25Å
340D97.3Very high97Very high32 Ų3243.9 Ų43.917%0.17122%0.224CC..Hα-helixtrans-79.6-50.2-172.3-73-5.2000111.5K248 V252 R255 Y257 K336K248-D340 PolarHBondContact NZ-O 3.45Å; K248-D340 VanDerWaalsContact NZ-O 3.14Å; V252-D340 HydrophobicContact CG2-CB 4.26Å; R255-D340 IonicContact NH1-OD2 3.88Å; R255-D340 PolarHBondContact NH1-OD2 3.05Å; Y257-D340 HydrophobicContact CE1-CB 3.62Å; Y257-D340 VanDerWaalsContact CE1-OD2 3.31Å; Y257-D340 WeakPolarHBondContact CE1-OD2 3.34Å; Y257-D340 WeakPolarHBondContact OH-CB 3.39Å; Y257-D340 PolarHBondContact OH-OD2 2.99Å; K336-D340 WeakPolarHBondContact O-CB 3.3Å; K336-D340 PolarHBondContact O-N 2.87Å
341L97.4Very high97.2Very high2 Ų245.5 Ų45.51%0.0123%0.231CC..Hα-helixtrans-88.1-15.9-173.6-43.3179.5000112.9L187 Q238 A239 S242 V252 Y257 A337 Y343L187-L341 HydrophobicContact CD2-CD1 3.95Å; Q238-L341 HydrophobicContact CB-CB 4.5Å; A239-L341 HydrophobicContact CB-CD1 4.25Å; S242-L341 PolarHBondContact OG-O 3Å; V252-L341 HydrophobicContact CB-CD2 4.24Å; V252-L341 HydrophobicContact CG1-CD2 3.42Å; V252-L341 VanDerWaalsContact CG1-CD2 3.42Å; V252-L341 HydrophobicContact CG2-CD2 3.71Å; Y257-L341 HydrophobicContact CD1-CD1 4.39Å; Y257-L341 HydrophobicContact CD1-CG 4.4Å; Y257-L341 HydrophobicContact CD2-CD1 3.93Å; Y257-L341 HydrophobicContact CD2-CD2 4.18Å; Y257-L341 HydrophobicContact CD2-CG 4.32Å; Y257-L341 HydrophobicContact CE1-CD2 4.47Å; Y257-L341 HydrophobicContact CE1-CG 4.38Å; Y257-L341 HydrophobicContact CE2-CD1 4.4Å; Y257-L341 HydrophobicContact CE2-CD2 3.8Å; Y257-L341 HydrophobicContact CE2-CG 4.32Å; Y257-L341 HydrophobicContact CG-CD1 3.93Å; Y257-L341 HydrophobicContact CG-CG 4.36Å; A337-L341 HydrophobicContact CB-CD1 4.23Å; A337-L341 WeakPolarHBondContact O-CA 3.5Å; A337-L341 WeakPolarHBondContact O-CB 3.47Å; A337-L341 PolarHBondContact O-N 2.83Å; L341-Y343 VanDerWaalsContact C-N 3.27Å
342G95.8Very high97.3Very high27 Ų2744.8 Ų44.828%0.27823%0.227SC..  trans68.828.2-166.900000112.3Q238 A337 K338 V344Q238-G342 PolarHBondContact NE2-O 3.3Å; A337-G342 PolarHBondContact O-N 2.9Å; K338-G342 WeakPolarHBondContact O-CA 3.47Å; K338-G342 PolarHBondContact O-N 3.48Å; K338-G342 VanDerWaalsContact O-N 3.11Å; G342-V344 PolarHBondContact O-N 3.48Å
343Y97.3Very high97.3Very high0 Ų049 Ų490%024%0.243CC..  trans-71.9124.1176.3169.5-111.2000110.9N231 F234 A235 L259 S260 Y334 A337 K338 L341 P345N231-Y343 WeakPolarHBondContact O-CE2 3.46Å; F234-Y343 HydrophobicContact CD1-CD2 4.4Å; A235-Y343 HydrophobicContact CB-CD2 3.6Å; A235-Y343 HydrophobicContact CB-CE2 3.76Å; A235-Y343 HydrophobicContact CB-CG 4.26Å; L259-Y343 HydrophobicContact CD2-CD1 4.46Å; S260-Y343 WeakPolarHBondContact O-CE1 3.38Å; S260-Y343 PolarHBondContact O-OH 3.2Å; Y334-Y343 AromaticContact CD2-CD1 3.91Å; Y334-Y343 HydrophobicContact CD2-CD1 3.91Å; Y334-Y343 AromaticContact CD2-CE1 3.82Å; Y334-Y343 HydrophobicContact CD2-CE1 3.82Å; Y334-Y343 HydrophobicContact CG-CD1 4.31Å; Y334-Y343 AromaticContact CG-CE1 3.91Å; Y334-Y343 HydrophobicContact CG-CE1 3.91Å; A337-Y343 HydrophobicContact CB-CD1 4.02Å; A337-Y343 HydrophobicContact CB-CG 4.44Å; A337-Y343 WeakPolarHBondContact O-CB 3.34Å; A337-Y343 PolarHBondContact O-N 3.01Å; K338-Y343 WeakPolarHBondContact CA-O 3.41Å; K338-Y343 WeakPolarHBondContact CB-O 3.42Å; K338-Y343 WeakPolarHBondContact CG-O 3.23Å; L341-Y343 VanDerWaalsContact C-N 3.27Å; Y343-P345 HydrophobicContact CE1-CG 4.32Å
344V95.8Very high97.4Very high85 Ų8553 Ų5352%0.51526%0.255SS..  trans-132.3130.9168179.20000106.2F234 K338 G342 R346F234-V344 WeakPolarHBondContact CD1-O 3.45Å; F234-V344 WeakPolarHBondContact CE1-O 3.31Å; K338-V344 HydrophobicContact CG-CG2 4.46Å; G342-V344 PolarHBondContact O-N 3.48Å; V344-R346 PolarHBondContact O-N 2.93Å; V344-R346 VanDerWaalsContact O-N 3.12Å
345P96.6Very high97.4Very high17 Ų1755.8 Ų55.811%0.1127%0.265CS..  trans-50.6121.4175.3-28.135.7000110.8D261 Y334 Y343D261-P345 HydrophobicContact CB-CB 3.83Å; D261-P345 HydrophobicContact CB-CG 3.71Å; Y334-P345 HydrophobicContact CE1-CG 4.27Å; Y334-P345 HydrophobicContact CE2-CG 4.18Å; Y343-P345 HydrophobicContact CE1-CG 4.32Å
346R95.9Very high97.5Very high89 Ų8952.2 Ų52.234%0.33625%0.248SC..SBendtrans-79.3-36.5-178.4176.2-179.5-77.2-150.2-12.7111.3E28 N231 F234 V344E28-R346 VanDerWaalsContact CD-NH2 3.32Å; E28-R346 IonicContact OE1-CZ 2.83Å; E28-R346 IonicContact OE1-NH1 2.64Å; E28-R346 PolarHBondContact OE1-NH1 3.43Å; E28-R346 IonicContact OE1-NH2 3.46Å; E28-R346 PolarHBondContact OE1-NH2 3.12Å; E28-R346 IonicContact OE2-NH2 3.2Å; E28-R346 PolarHBondContact OE2-NH2 3.46Å; N231-R346 PolarHBondContact OD1-N 2.7Å; F234-R346 HydrophobicContact CD1-CB 4.09Å; F234-R346 HydrophobicContact CG-CB 4.23Å; V344-R346 PolarHBondContact O-N 2.93Å; V344-R346 VanDerWaalsContact O-N 3.12Å
347Y97.9Very high97.5Very high50 Ų5050.9 Ų50.920%0.19624%0.244CC..SBendtrans-102.8124.9179.2-60.2-86.3000108.8Y228 N231 E351Y228-Y347 AromaticContact CD1-CD2 3.77Å; Y228-Y347 HydrophobicContact CD1-CD2 3.77Å; Y228-Y347 AromaticContact CD1-CG 3.76Å; Y228-Y347 HydrophobicContact CD1-CG 3.76Å; Y228-Y347 HydrophobicContact CE1-CD1 4.06Å; Y228-Y347 AromaticContact CE1-CD2 3.75Å; Y228-Y347 HydrophobicContact CE1-CD2 3.75Å; Y228-Y347 HydrophobicContact CE1-CE1 4.49Å; Y228-Y347 HydrophobicContact CE1-CE2 4.2Å; Y228-Y347 AromaticContact CE1-CG 3.67Å; Y228-Y347 HydrophobicContact CE1-CG 3.67Å; N231-Y347 PolarHBondContact ND2-O 2.87Å; N231-Y347 WeakPolarHBondContact OD1-CD2 3.47Å; N231-Y347 PolarHBondContact OD1-N 3.41Å; Y347-E351 HydrophobicContact CD1-CG 4.11Å
348S98.1Very high97.5Very high64 Ų6455.7 Ų55.745%0.44827%0.267SS..  trans-68.6160.2171.666.90000110.8D350 E351 A352S348-D350 VanDerWaalsContact C-N 3.28Å; S348-D350 PolarHBondContact O-N 3.48Å; S348-E351 PolarHBondContact O-N 3.47Å; S348-E351 PolarHBondContact OG-N 3.21Å; S348-A352 WeakPolarHBondContact O-CB 3.27Å; S348-A352 PolarHBondContact O-N 2.95Å
349W97.5Very high97.5Very high32 Ų3253.7 Ų53.712%0.12126%0.257CS..Hα-helixtrans-52.1-45.9173.9165.3-120.7000112.6Y193 T263 P264 F271 V274 L275 E351 A352 R353Y193-W349 HydrophobicContact CE2-CZ3 4.23Å; Y193-W349 AromaticContact CZ-CZ3 3.83Å; Y193-W349 VanDerWaalsContact OH-CE3 3.28Å; Y193-W349 VanDerWaalsContact OH-CZ3 3.32Å; Y193-W349 WeakPolarHBondContact OH-CZ3 3.46Å; T263-W349 HydrophobicContact CG2-CD2 4.4Å; T263-W349 HydrophobicContact CG2-CE3 3.61Å; T263-W349 HydrophobicContact CG2-CH2 4.33Å; T263-W349 HydrophobicContact CG2-CZ3 3.59Å; P264-W349 VanDerWaalsContact CD-CD2 3.46Å; P264-W349 VanDerWaalsContact CD-CG 3.44Å; P264-W349 HydrophobicContact CG-CD2 4.39Å; P264-W349 HydrophobicContact CG-CG 4.18Å; F271-W349 HydrophobicContact CD2-CH2 4.44Å; F271-W349 AromaticContact CE2-CH2 3.87Å; F271-W349 HydrophobicContact CE2-CH2 3.87Å; F271-W349 AromaticContact CE2-CZ3 3.81Å; F271-W349 HydrophobicContact CE2-CZ3 3.81Å; V274-W349 HydrophobicContact CG1-CH2 4.21Å; V274-W349 HydrophobicContact CG1-CZ2 3.79Å; L275-W349 HydrophobicContact CD2-CH2 4.28Å; W349-E351 PolarHBondContact O-N 3.4Å; W349-A352 PolarHBondContact O-N 2.76Å; W349-R353 HydrophobicContact CD2-CB 4.33Å; W349-R353 HydrophobicContact CE3-CB 4.32Å; W349-R353 HydrophobicContact CH2-CB 4.04Å; W349-R353 HydrophobicContact CH2-CG 4.18Å; W349-R353 HydrophobicContact CZ2-CB 4.05Å; W349-R353 HydrophobicContact CZ2-CG 4.07Å; W349-R353 HydrophobicContact CZ3-CB 4.16Å; W349-R353 WeakPolarHBondContact O-CB 3.26Å; W349-R353 PolarHBondContact O-N 2.73Å
350D98.1Very high97.6Very high94 Ų9447 Ų4750%0.50323%0.226SC..Hα-helixtrans-63-42-178.1-73.4-51.8000112.5S348 R353 R354S348-D350 VanDerWaalsContact C-N 3.28Å; S348-D350 PolarHBondContact O-N 3.48Å; D350-R353 IonicContact OD1-CZ 3.29Å; D350-R353 IonicContact OD1-NH2 2.76Å; D350-R353 PolarHBondContact OD1-NH2 3.42Å; D350-R354 VanDerWaalsContact O-CB 3.27Å; D350-R354 WeakPolarHBondContact O-CB 3.49Å; D350-R354 PolarHBondContact O-N 3.13Å
351E98.1Very high97.6Very high48 Ų4847.5 Ų47.522%0.22423%0.234CC..Hα-helixtrans-69-45177.9177.462.518000111.3Y347 S348 W349 R354 R355Y347-E351 HydrophobicContact CD1-CG 4.11Å; S348-E351 PolarHBondContact O-N 3.47Å; S348-E351 PolarHBondContact OG-N 3.21Å; W349-E351 PolarHBondContact O-N 3.4Å; E351-R354 PolarHBondContact O-N 3.36Å; E351-R354 IonicContact OE1-CZ 3.93Å; E351-R354 IonicContact OE1-NH2 2.97Å; E351-R354 PolarHBondContact OE1-NH2 3.27Å; E351-R354 IonicContact OE2-CZ 2.8Å; E351-R354 VanDerWaalsContact OE2-CZ 3.28Å; E351-R354 IonicContact OE2-NE 2.92Å; E351-R354 PolarHBondContact OE2-NE 3.47Å; E351-R354 IonicContact OE2-NH2 3.53Å; E351-R354 PolarHBondContact OE2-NH2 2.92Å; E351-R355 WeakPolarHBondContact O-CG 3.31Å; E351-R355 PolarHBondContact O-N 3.2Å; E351-R355 IonicContact OE1-CZ 3.41Å; E351-R355 VanDerWaalsContact OE1-CZ 3.25Å; E351-R355 IonicContact OE1-NE 2.96Å; E351-R355 PolarHBondContact OE1-NE 3.21Å; E351-R355 IonicContact OE1-NH2 2.68Å; E351-R355 PolarHBondContact OE1-NH2 2.87Å
352A98.2Very high97.6Very high0 Ų051.1 Ų51.10%026%0.26CS..Hα-helixtrans-62.7-43177.600000111.8Y193 Y228 S348 W349 T356Y193-A352 HydrophobicContact CE2-CB 4.26Å; Y193-A352 WeakPolarHBondContact OH-CB 3.48Å; Y228-A352 HydrophobicContact CD1-CB 3.93Å; Y228-A352 HydrophobicContact CD2-CB 3.71Å; Y228-A352 HydrophobicContact CE1-CB 4.46Å; Y228-A352 HydrophobicContact CE2-CB 4.28Å; Y228-A352 HydrophobicContact CG-CB 3.53Å; S348-A352 WeakPolarHBondContact O-CB 3.27Å; S348-A352 PolarHBondContact O-N 2.95Å; W349-A352 PolarHBondContact O-N 2.76Å; A352-T356 VanDerWaalsContact O-CB 3.3Å; A352-T356 WeakPolarHBondContact O-CB 3.47Å; A352-T356 PolarHBondContact O-N 3.11Å; A352-T356 PolarHBondContact O-OG1 3.31Å
353R98Very high97.7Very high91 Ų9152.7 Ų52.734%0.34326%0.26SS..Hα-helixtrans-59.3-51.8173.7-178.8-176.766.2-162.4-12.5110.4L275 W349 D350 R355 T356 T357L275-R353 HydrophobicContact CD2-CG 4.07Å; W349-R353 HydrophobicContact CD2-CB 4.33Å; W349-R353 HydrophobicContact CE3-CB 4.32Å; W349-R353 HydrophobicContact CH2-CB 4.04Å; W349-R353 HydrophobicContact CH2-CG 4.18Å; W349-R353 HydrophobicContact CZ2-CB 4.05Å; W349-R353 HydrophobicContact CZ2-CG 4.07Å; W349-R353 HydrophobicContact CZ3-CB 4.16Å; W349-R353 WeakPolarHBondContact O-CB 3.26Å; W349-R353 PolarHBondContact O-N 2.73Å; D350-R353 IonicContact OD1-CZ 3.29Å; D350-R353 IonicContact OD1-NH2 2.76Å; D350-R353 PolarHBondContact OD1-NH2 3.42Å; R353-R355 PolarHBondContact O-N 3.11Å; R353-T356 PolarHBondContact O-N 2.99Å; R353-T357 WeakPolarHBondContact O-CB 3.5Å; R353-T357 PolarHBondContact O-N 3.09Å; R353-T357 PolarHBondContact O-OG1 3.22Å
354R98.3Very high97.7Very high104 Ų10453.7 Ų53.739%0.39227%0.265SS..Hα-helixtrans-56.5-53.1-179.1-175.4-171.86775.52111.6D350 E351 T356 T357 E358D350-R354 VanDerWaalsContact O-CB 3.27Å; D350-R354 WeakPolarHBondContact O-CB 3.49Å; D350-R354 PolarHBondContact O-N 3.13Å; E351-R354 PolarHBondContact O-N 3.36Å; E351-R354 IonicContact OE1-CZ 3.93Å; E351-R354 IonicContact OE1-NH2 2.97Å; E351-R354 PolarHBondContact OE1-NH2 3.27Å; E351-R354 IonicContact OE2-CZ 2.8Å; E351-R354 VanDerWaalsContact OE2-CZ 3.28Å; E351-R354 IonicContact OE2-NE 2.92Å; E351-R354 PolarHBondContact OE2-NE 3.47Å; E351-R354 IonicContact OE2-NH2 3.53Å; E351-R354 PolarHBondContact OE2-NH2 2.92Å; R354-T356 VanDerWaalsContact C-N 3.32Å; R354-T356 PolarHBondContact O-N 2.93Å; R354-T357 PolarHBondContact O-N 3.35Å; R354-E358 WeakPolarHBondContact CG-OE1 3.46Å; R354-E358 IonicContact CZ-OE1 2.69Å; R354-E358 IonicContact CZ-OE2 3.25Å; R354-E358 IonicContact NH1-OE1 2.8Å; R354-E358 PolarHBondContact NH1-OE1 3Å; R354-E358 IonicContact NH1-OE2 3.91Å; R354-E358 PolarHBondContact NH1-OE2 3.21Å; R354-E358 WeakPolarHBondContact O-CB 3.31Å; R354-E358 WeakPolarHBondContact O-CG 3.43Å; R354-E358 PolarHBondContact O-N 2.97Å
355R98.4Very high97.7Very high89 Ų8953.3 Ų53.334%0.33626%0.264SS..Hα-helixtrans-58.8-43.1178.4-72-176-178.1-144-1.6112.6E351 R353 E358 W359E351-R355 WeakPolarHBondContact O-CG 3.31Å; E351-R355 PolarHBondContact O-N 3.2Å; E351-R355 IonicContact OE1-CZ 3.41Å; E351-R355 VanDerWaalsContact OE1-CZ 3.25Å; E351-R355 IonicContact OE1-NE 2.96Å; E351-R355 PolarHBondContact OE1-NE 3.21Å; E351-R355 IonicContact OE1-NH2 2.68Å; E351-R355 PolarHBondContact OE1-NH2 2.87Å; R353-R355 PolarHBondContact O-N 3.11Å; R355-E358 PolarHBondContact O-N 3.4Å; R355-W359 WeakPolarHBondContact O-CB 3.43Å; R355-W359 PolarHBondContact O-N 3.46Å
356T98.4Very high97.6Very high0 Ų055.1 Ų55.10%028%0.28CS..Hα-helixtrans-65.1-45.7179.5-55.30000110.9Y193 G194 L200 L275 A352 R353 R354 W359 L360Y193-T356 HydrophobicContact CD2-CG2 4.25Å; G194-T356 WeakPolarHBondContact CA-OG1 3.3Å; L200-T356 HydrophobicContact CD1-CG2 3.61Å; L275-T356 HydrophobicContact CD1-CG2 3.97Å; L275-T356 HydrophobicContact CD2-CG2 4.11Å; A352-T356 VanDerWaalsContact O-CB 3.3Å; A352-T356 WeakPolarHBondContact O-CB 3.47Å; A352-T356 PolarHBondContact O-N 3.11Å; A352-T356 PolarHBondContact O-OG1 3.31Å; R353-T356 PolarHBondContact O-N 2.99Å; R354-T356 VanDerWaalsContact C-N 3.32Å; R354-T356 PolarHBondContact O-N 2.93Å; T356-W359 PolarHBondContact O-N 3.29Å; T356-L360 HydrophobicContact CG2-CD1 4.15Å; T356-L360 HydrophobicContact CG2-CG 4.49Å; T356-L360 WeakPolarHBondContact O-CB 3.35Å; T356-L360 VanDerWaalsContact O-CG 3.27Å; T356-L360 WeakPolarHBondContact O-CG 3.43Å; T356-L360 PolarHBondContact O-N 3.47Å
357T98.2Very high97.6Very high20 Ų2052.3 Ų52.312%0.12327%0.271CS..Hα-helixtrans-64.8-41.4177.8-63.40000112L275 P278 L279 R353 R354 L360 A361L275-T357 PolarHBondContact O-OG1 2.96Å; P278-T357 HydrophobicContact CB-CG2 3.95Å; P278-T357 HydrophobicContact CG-CG2 4.04Å; L279-T357 HydrophobicContact CD2-CG2 4.02Å; L279-T357 HydrophobicContact CG-CG2 4.39Å; R353-T357 WeakPolarHBondContact O-CB 3.5Å; R353-T357 PolarHBondContact O-N 3.09Å; R353-T357 PolarHBondContact O-OG1 3.22Å; R354-T357 PolarHBondContact O-N 3.35Å; T357-L360 PolarHBondContact O-N 3.48Å; T357-A361 WeakPolarHBondContact O-CB 3.43Å; T357-A361 PolarHBondContact O-N 3.42Å
358E98.3Very high97.4Very high101 Ų10154.5 Ų54.547%0.47228%0.279SS..Hα-helixtrans-61.6-44.2175.3-76.6170.1-175.700111.9R354 R355 A361 S362R354-E358 WeakPolarHBondContact CG-OE1 3.46Å; R354-E358 IonicContact CZ-OE1 2.69Å; R354-E358 IonicContact CZ-OE2 3.25Å; R354-E358 IonicContact NH1-OE1 2.8Å; R354-E358 PolarHBondContact NH1-OE1 3Å; R354-E358 IonicContact NH1-OE2 3.91Å; R354-E358 PolarHBondContact NH1-OE2 3.21Å; R354-E358 WeakPolarHBondContact O-CB 3.31Å; R354-E358 WeakPolarHBondContact O-CG 3.43Å; R354-E358 PolarHBondContact O-N 2.97Å; R355-E358 PolarHBondContact O-N 3.4Å; E358-A361 WeakPolarHBondContact O-CB 3.37Å; E358-A361 PolarHBondContact O-N 3.47Å; E358-S362 PolarHBondContact O-N 3.43Å
359W97.9Very high97.2Very high42 Ų4258 Ų5816%0.15929%0.289CS..Hα-helixtrans-62.9-47174.5170.174.2000111.6D195 G196 C197 L201 R355 T356 A361 S362 Q363D195-W359 HydrophobicContact CB-CB 3.57Å; D195-W359 HydrophobicContact CB-CD2 3.94Å; D195-W359 HydrophobicContact CB-CE3 4.39Å; D195-W359 HydrophobicContact CB-CG 3.52Å; G196-W359 VanDerWaalsContact N-CH2 3.34Å; C197-W359 WeakPolarHBondContact O-CH2 3.37Å; L201-W359 HydrophobicContact CD1-CH2 3.89Å; L201-W359 HydrophobicContact CD1-CZ2 3.9Å; L201-W359 HydrophobicContact CD2-CH2 3.72Å; L201-W359 HydrophobicContact CD2-CZ2 4.04Å; L201-W359 HydrophobicContact CD2-CZ3 4.29Å; L201-W359 HydrophobicContact CG-CH2 3.57Å; L201-W359 HydrophobicContact CG-CZ2 4.05Å; L201-W359 HydrophobicContact CG-CZ3 4.42Å; R355-W359 WeakPolarHBondContact O-CB 3.43Å; R355-W359 PolarHBondContact O-N 3.46Å; T356-W359 PolarHBondContact O-N 3.29Å; W359-A361 VanDerWaalsContact C-N 3.26Å; W359-A361 PolarHBondContact O-N 2.89Å; W359-S362 WeakPolarHBondContact O-CB 3.34Å; W359-S362 PolarHBondContact O-N 2.74Å; W359-S362 PolarHBondContact O-OG 2.91Å; W359-S362 VanDerWaalsContact O-OG 3.1Å; W359-Q363 HydrophobicContact CD2-CG 4.28Å; W359-Q363 HydrophobicContact CZ2-CG 3.99Å; W359-Q363 WeakPolarHBondContact O-CG 3.37Å; W359-Q363 PolarHBondContact O-N 3.38Å; W359-Q363 VanDerWaalsContact O-N 3.09Å
360L98.2Very high97Very high0 Ų062.5 Ų62.50%031%0.309CS..Hα-helixtrans-57.8-40.3175.6-74.6172.8000111.6L200 L201 M204 L275 M276 L279 T356 T357 S362 Q363 L364L200-L360 HydrophobicContact CB-CD2 4Å; L201-L360 HydrophobicContact CD2-CD2 4.23Å; M204-L360 HydrophobicContact CE-CB 3.5Å; M204-L360 HydrophobicContact CE-CD2 3.5Å; M204-L360 VanDerWaalsContact CE-CD2 3.5Å; M204-L360 HydrophobicContact CE-CG 4.01Å; M204-L360 VanDerWaalsContact CE-O 3.27Å; M204-L360 WeakPolarHBondContact CE-O 3.3Å; L275-L360 HydrophobicContact CB-CD1 4.14Å; M276-L360 HydrophobicContact CE-CD1 4.48Å; M276-L360 HydrophobicContact CG-CD1 4.22Å; L279-L360 HydrophobicContact CD1-CB 3.6Å; T356-L360 HydrophobicContact CG2-CD1 4.15Å; T356-L360 HydrophobicContact CG2-CG 4.49Å; T356-L360 WeakPolarHBondContact O-CB 3.35Å; T356-L360 VanDerWaalsContact O-CG 3.27Å; T356-L360 WeakPolarHBondContact O-CG 3.43Å; T356-L360 PolarHBondContact O-N 3.47Å; T357-L360 PolarHBondContact O-N 3.48Å; L360-S362 VanDerWaalsContact C-N 3.29Å; L360-S362 PolarHBondContact O-N 2.87Å; L360-Q363 PolarHBondContact O-N 2.95Å; L360-L364 PolarHBondContact O-N 3.02Å
361A98Very high96.6Very high43 Ų4359.1 Ų59.136%0.35529%0.291SS..Hα-helixtrans-60.6-39.7174.600000111.9L279 T357 E358 W359 Q363 L364 P365L279-A361 HydrophobicContact CD2-CB 3.57Å; T357-A361 WeakPolarHBondContact O-CB 3.43Å; T357-A361 PolarHBondContact O-N 3.42Å; E358-A361 WeakPolarHBondContact O-CB 3.37Å; E358-A361 PolarHBondContact O-N 3.47Å; W359-A361 VanDerWaalsContact C-N 3.26Å; W359-A361 PolarHBondContact O-N 2.89Å; A361-Q363 VanDerWaalsContact C-N 3.31Å; A361-Q363 PolarHBondContact O-N 3.38Å; A361-L364 PolarHBondContact O-N 3.49Å; A361-P365 WeakPolarHBondContact O-CD 3.5Å
362S97.8Very high96Very high77 Ų7764.6 Ų64.654%0.53832%0.318SS..Hα-helixtrans-68.9-28.3178.7103.20000112.9E358 W359 L360E358-S362 PolarHBondContact O-N 3.43Å; W359-S362 WeakPolarHBondContact O-CB 3.34Å; W359-S362 PolarHBondContact O-N 2.74Å; W359-S362 PolarHBondContact O-OG 2.91Å; W359-S362 VanDerWaalsContact O-OG 3.1Å; L360-S362 VanDerWaalsContact C-N 3.29Å; L360-S362 PolarHBondContact O-N 2.87Å
363Q97.4Very high95.3Very high61 Ų6169.5 Ų69.529%0.28535%0.352SS..Hα-helixtrans-85.8-24.9178.2-58-52.3-65.700112.9L201 W359 L360 A361 A366 E367L201-Q363 HydrophobicContact CD2-CB 3.84Å; L201-Q363 HydrophobicContact CD2-CG 3.98Å; W359-Q363 HydrophobicContact CD2-CG 4.28Å; W359-Q363 HydrophobicContact CZ2-CG 3.99Å; W359-Q363 WeakPolarHBondContact O-CG 3.37Å; W359-Q363 PolarHBondContact O-N 3.38Å; W359-Q363 VanDerWaalsContact O-N 3.09Å; L360-Q363 PolarHBondContact O-N 2.95Å; A361-Q363 VanDerWaalsContact C-N 3.31Å; A361-Q363 PolarHBondContact O-N 3.38Å; Q363-A366 PolarHBondContact O-N 3.33Å; Q363-E367 PolarHBondContact O-N 2.82Å
364L96.4Very high93.9Very high21 Ų2171.6 Ų71.611%0.1138%0.381CS..Hα-helixtrans-54.5-43.6-171.9179.663.7000114.7M204 I208 L279 F281 L360 A361 E367 R368M204-L364 HydrophobicContact CE-CB 4.48Å; M204-L364 HydrophobicContact CG-CD1 4.18Å; M204-L364 HydrophobicContact SD-CB 4.16Å; M204-L364 HydrophobicContact SD-CD1 3.74Å; I208-L364 HydrophobicContact CD1-CD1 3.92Å; I208-L364 HydrophobicContact CG1-CD1 4.28Å; L279-L364 HydrophobicContact CB-CD2 4.28Å; F281-L364 HydrophobicContact CE2-CD1 3.87Å; F281-L364 HydrophobicContact CE2-CD2 4.47Å; F281-L364 HydrophobicContact CZ-CD1 3.85Å; L360-L364 PolarHBondContact O-N 3.02Å; A361-L364 PolarHBondContact O-N 3.49Å; L364-E367 PolarHBondContact O-N 2.99Å; L364-R368 HydrophobicContact CD1-CG 4.23Å; L364-R368 WeakPolarHBondContact O-CG 3.3Å; L364-R368 PolarHBondContact O-N 2.94Å
365P96.8Very high93.7Very high76 Ų7670 Ų7049%0.49438%0.38SS..Hα-helixtrans-61.3-47.6178.1-23.834.8000112.6A361 E367 R368 E369A361-P365 WeakPolarHBondContact O-CD 3.5Å; P365-E367 PolarHBondContact O-N 2.78Å; P365-R368 PolarHBondContact O-N 3.27Å; P365-E369 PolarHBondContact O-N 3.38Å
366A94.8Very high93.5Very high55 Ų5568.9 Ų68.946%0.45538%0.383SS..Hα-helixtrans-64.1-40.4-179.600000111.9Q363 E369 K370Q363-A366 PolarHBondContact O-N 3.33Å; A366-E369 PolarHBondContact O-N 3.23Å; A366-K370 VanDerWaalsContact O-CB 3.3Å; A366-K370 WeakPolarHBondContact O-CB 3.39Å; A366-K370 PolarHBondContact O-N 3.32Å
367E94.4Very high93.2Very high30 Ų3072.8 Ų72.814%0.1440%0.404CS..Hα-helixtrans-66.7-35.8175.9-72.8-61.1141.400112.3I208 Q363 L364 P365 K370 I371I208-E367 HydrophobicContact CD1-CB 3.88Å; Q363-E367 PolarHBondContact O-N 2.82Å; L364-E367 PolarHBondContact O-N 2.99Å; P365-E367 PolarHBondContact O-N 2.78Å; E367-K370 IonicContact OE1-NZ 3.59Å; E367-I371 WeakPolarHBondContact O-CB 3.35Å; E367-I371 WeakPolarHBondContact O-CD1 3.5Å; E367-I371 VanDerWaalsContact O-CG1 3.3Å; E367-I371 WeakPolarHBondContact O-CG1 3.34Å; E367-I371 PolarHBondContact O-N 3.26Å; E367-I371 VanDerWaalsContact O-N 3.09Å
368R94.9Very high92.9Very high96 Ų9675.9 Ų75.936%0.36242%0.42SS..Hα-helixtrans-64.9-47.7173.8-77.9-178.4171.8-175.20.3112I208 N212 L364 P365 K370 I371 M372I208-R368 HydrophobicContact CD1-CG 3.89Å; I208-R368 HydrophobicContact CG1-CG 4.2Å; I208-R368 HydrophobicContact CG2-CG 4.11Å; N212-R368 PolarHBondContact OD1-NH2 3.42Å; N212-R368 VanDerWaalsContact OD1-NH2 3.14Å; L364-R368 HydrophobicContact CD1-CG 4.23Å; L364-R368 WeakPolarHBondContact O-CG 3.3Å; L364-R368 PolarHBondContact O-N 2.94Å; P365-R368 PolarHBondContact O-N 3.27Å; R368-K370 VanDerWaalsContact C-N 3.34Å; R368-K370 PolarHBondContact O-N 3.33Å; R368-I371 PolarHBondContact O-N 3.33Å; R368-M372 VanDerWaalsContact O-CG 3.31Å; R368-M372 WeakPolarHBondContact O-CG 3.38Å; R368-M372 PolarHBondContact O-N 2.98Å
369E94.4Very high92.6Very high139 Ų13974.3 Ų74.365%0.6542%0.417SS*.Hα-helixtrans-58.7-47.5177.7-74.2177.1-174.300111.3P365 A366 I371 M372 S373P365-E369 PolarHBondContact O-N 3.38Å; A366-E369 PolarHBondContact O-N 3.23Å; E369-I371 VanDerWaalsContact C-N 3.32Å; E369-I371 PolarHBondContact O-N 3.19Å; E369-M372 PolarHBondContact O-N 3.42Å; E369-S373 WeakPolarHBondContact O-CB 3.24Å; E369-S373 PolarHBondContact O-N 2.93Å; E369-S373 PolarHBondContact O-OG 3.33Å
370K91.9Very high92.2Very high125 Ų12576.5 Ų76.554%0.54343%0.434SS..Hα-helixtrans-56-45.4177.3-177.8-179.3175-172.20112.3A366 E367 R368 S373 S374A366-K370 VanDerWaalsContact O-CB 3.3Å; A366-K370 WeakPolarHBondContact O-CB 3.39Å; A366-K370 PolarHBondContact O-N 3.32Å; E367-K370 IonicContact OE1-NZ 3.59Å; R368-K370 VanDerWaalsContact C-N 3.34Å; R368-K370 PolarHBondContact O-N 3.33Å; K370-S373 PolarHBondContact O-N 2.95Å; K370-S373 PolarHBondContact O-OG 3.43Å; K370-S374 PolarHBondContact O-N 2.89Å
371I90.9Very high91.8Very high24 Ų2481.9 Ų81.912%0.12347%0.465CS..Hα-helixtrans-73.2-33.2-179.4-69.4167.1000112.3G205 I208 R209 E367 R368 E369 S373 S374G205-I371 WeakPolarHBondContact O-CD1 3.49Å; I208-I371 HydrophobicContact CB-CD1 3.73Å; I208-I371 HydrophobicContact CD1-CD1 3.99Å; I208-I371 HydrophobicContact CG1-CD1 4.47Å; I208-I371 HydrophobicContact CG2-CB 4.21Å; I208-I371 HydrophobicContact CG2-CD1 3.73Å; I208-I371 HydrophobicContact CG2-CG2 4.06Å; R209-I371 HydrophobicContact CG-CD1 4.4Å; R209-I371 HydrophobicContact CG-CG2 3.66Å; E367-I371 WeakPolarHBondContact O-CB 3.35Å; E367-I371 WeakPolarHBondContact O-CD1 3.5Å; E367-I371 VanDerWaalsContact O-CG1 3.3Å; E367-I371 WeakPolarHBondContact O-CG1 3.34Å; E367-I371 PolarHBondContact O-N 3.26Å; E367-I371 VanDerWaalsContact O-N 3.09Å; R368-I371 PolarHBondContact O-N 3.33Å; E369-I371 VanDerWaalsContact C-N 3.32Å; E369-I371 PolarHBondContact O-N 3.19Å; I371-S373 VanDerWaalsContact C-N 3.26Å; I371-S373 PolarHBondContact O-N 3.43Å; I371-S374 PolarHBondContact O-OG 2.86Å
372M84.4Confident91.3Very high163 Ų16384.9 Ų84.980%0.80347%0.474SS*.Hα-helixtrans-70.6-25.9174.6-71.8177.362.500112.6R368 E369R368-M372 VanDerWaalsContact O-CG 3.31Å; R368-M372 WeakPolarHBondContact O-CG 3.38Å; R368-M372 PolarHBondContact O-N 2.98Å; E369-M372 PolarHBondContact O-N 3.42Å
373S82.8Confident90.8Very high102 Ų10285.6 Ų85.671%0.71347%0.468SS*.THydrogen-bonded Turntrans-86.2-10.6178.570.50000115E369 K370 I371E369-S373 WeakPolarHBondContact O-CB 3.24Å; E369-S373 PolarHBondContact O-N 2.93Å; E369-S373 PolarHBondContact O-OG 3.33Å; K370-S373 PolarHBondContact O-N 2.95Å; K370-S373 PolarHBondContact O-OG 3.43Å; I371-S373 VanDerWaalsContact C-N 3.26Å; I371-S373 PolarHBondContact O-N 3.43Å
374S70.3Confident90.2Very high135 Ų13587.8 Ų87.894%0.94449%0.485SS*.  trans-102.90-179.666.50000111.9K370 I371K370-S374 PolarHBondContact O-N 2.89Å; I371-S374 PolarHBondContact O-OG 2.86Å

Retrieved 374 of 374 residues in 190 ms (Link to these results)

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