A0A3Q0KT43_SCHMA Loading...

Cell cycle checkpoint control protein RAD9A

Component of the 9-1-1 cell-cycle checkpoint response complex that plays a major role in DNA repair. The 9-1-1 complex is recruited to DNA lesion upon damage by the RAD17-replication factor C (RFC) clamp loader complex. Acts then as a sliding clamp platform on DNA for several proteins involved in long-patch base excision repair (LP-BER). The 9-1-1 complex stimulates DNA polymerase beta (POLB) activity by increasing its affinity for the 3'-OH end of the primer-template and stabilizes POLB to those sites where LP-BER proceeds; endonuclease FEN1 cleavage activity on substrates with double, nick, or gap flaps of distinct sequences and lengths; and DNA ligase I (LIG1) on long-patch base excision repair substrates. The 9-1-1 complex is necessary for the recruitment of RHNO1 to sites of double-stranded breaks (DSB) occurring during the S phase. RAD9A possesses 3'->5' double stranded DNA exonuclease activity.

AlphaFold DB , UniProt , Accession A0A3Q0KT43, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 445 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
1M86.1Confident94.1Very high9 Ų938.7 Ų38.74%0.04420%0.2CC..  0145.60170.6-175-17700109.6V3 C31 L36 F73 M99 F100 L101M1-V3 HydrophobicContact CE-CB 4.46Å; M1-V3 HydrophobicContact CE-CG1 3.62Å; M1-V3 HydrophobicContact CE-CG2 3.93Å; M1-V3 HydrophobicContact CG-CG1 4.29Å; M1-C31 HydrophobicContact CB-CB 4.43Å; M1-C31 HydrophobicContact CG-CB 4.24Å; M1-C31 HydrophobicContact SD-CB 4.01Å; M1-L36 HydrophobicContact CE-CD1 3.53Å; M1-L36 HydrophobicContact CE-CD2 3.53Å; M1-L36 HydrophobicContact CE-CG 4.05Å; M1-L36 HydrophobicContact SD-CD1 4.23Å; M1-F73 HydrophobicContact SD-CE1 4.38Å; M1-F73 HydrophobicContact SD-CZ 4.37Å; M1-M99 HydrophobicContact CE-CE 3.61Å; M1-F100 CarbonylContact O-C 3.56Å; M1-F100 VanDerWaalsContact O-CA 3.22Å; M1-F100 WeakPolarHBondContact O-CA 3.5Å; M1-L101 HydrophobicContact CB-CB 4.45Å; M1-L101 PolarHBondContact O-N 3.27Å
2K92.2Very high94.2Very high129 Ų12937.2 Ų37.256%0.56119%0.193SC*.EExtended strand (participates in β ladder)trans-147.4119.4169.6179.1174.3-177.9178.20110.7S62 M99 F100K2-S62 PolarHBondContact N-O 2.74Å; K2-S62 PolarHBondContact O-N 3.05Å; K2-M99 CarbonylContact C-O 3.54Å; K2-M99 WeakPolarHBondContact CA-O 3.45Å; K2-F100 HydrophobicContact CB-CB 4.12Å; K2-F100 HydrophobicContact CG-CB 4.16Å
3V95.2Very high94.3Very high1 Ų134.4 Ų34.41%0.00618%0.179CC..EExtended strand (participates in β ladder)trans-135.4157.8179.6-53.70000111.8M1 F58 K60 F61 M99M1-V3 HydrophobicContact CE-CB 4.46Å; M1-V3 HydrophobicContact CE-CG1 3.62Å; M1-V3 HydrophobicContact CE-CG2 3.93Å; M1-V3 HydrophobicContact CG-CG1 4.29Å; V3-F58 HydrophobicContact CB-CD1 3.79Å; V3-F58 HydrophobicContact CB-CE1 4.1Å; V3-F58 HydrophobicContact CB-CG 4.38Å; V3-F58 HydrophobicContact CG1-CD1 4.39Å; V3-F58 HydrophobicContact CG1-CE1 4.46Å; V3-F58 HydrophobicContact CG2-CD1 4.09Å; V3-F58 HydrophobicContact CG2-CE1 4.01Å; V3-K60 CarbonylContact C-O 3.59Å; V3-K60 WeakPolarHBondContact CA-O 3.33Å; V3-F61 HydrophobicContact CB-CD2 4.36Å; V3-F61 HydrophobicContact CG1-CD2 3.41Å; V3-F61 VanDerWaalsContact CG1-CD2 3.41Å; V3-F61 HydrophobicContact CG1-CE2 3.51Å; V3-F61 HydrophobicContact CG1-CG 4.27Å; V3-F61 HydrophobicContact CG1-CZ 4.41Å; V3-M99 HydrophobicContact CG2-CB 3.88Å; V3-M99 HydrophobicContact CG2-CE 3.43Å; V3-M99 VanDerWaalsContact CG2-CE 3.43Å; V3-M99 HydrophobicContact CG2-CG 4.27Å; V3-M99 PolarHBondContact N-O 3.4Å; V3-M99 PolarHBondContact O-N 2.98Å
4V96.9Very high94.4Very high11 Ų1132.4 Ų32.47%0.06717%0.168CC..EExtended strand (participates in β ladder)trans-133.4136-178.9-174.70000110.5F58 D59 K60 K96 C97 K98V4-F58 CarbonylContact O-C 3.54Å; V4-F58 WeakPolarHBondContact O-CA 3.2Å; V4-F58 WeakPolarHBondContact O-CB 3.34Å; V4-D59 HydrophobicContact CB-CB 4.02Å; V4-D59 HydrophobicContact CG1-CB 3.85Å; V4-D59 VanDerWaalsContact CG1-OD2 3.28Å; V4-D59 WeakPolarHBondContact CG1-OD2 3.35Å; V4-D59 PolarHBondContact O-N 3.02Å; V4-K60 HydrophobicContact CB-CB 4.23Å; V4-K60 HydrophobicContact CG2-CB 4.01Å; V4-K60 PolarHBondContact N-O 3.07Å; V4-K96 HydrophobicContact CG1-CD 4.21Å; V4-K96 VanDerWaalsContact CG1-CE 3.5Å; V4-K96 HydrophobicContact CG1-CG 3.83Å; V4-C97 CarbonylContact C-O 3.49Å; V4-C97 WeakPolarHBondContact CA-O 3.45Å; V4-K98 HydrophobicContact CG2-CG 4.4Å
5L97Very high94.3Very high2 Ų237.5 Ų37.51%0.0119%0.185CC..EExtended strand (participates in β ladder)trans-121135.5-179.9-66.6163.7000110.3E9 L10 F13 F57 F58 C97L5-E9 HydrophobicContact CD2-CB 3.96Å; L5-L10 HydrophobicContact CB-CB 4.13Å; L5-L10 HydrophobicContact CB-CD1 4.44Å; L5-L10 HydrophobicContact CD1-CD1 3.91Å; L5-F13 HydrophobicContact CD1-CB 3.93Å; L5-F13 HydrophobicContact CD1-CD1 3.57Å; L5-F13 HydrophobicContact CD1-CD2 4.24Å; L5-F13 HydrophobicContact CD1-CE1 4.11Å; L5-F13 HydrophobicContact CD1-CG 3.64Å; L5-F13 HydrophobicContact CD2-CB 4.5Å; L5-F57 HydrophobicContact CD2-CD1 3.94Å; L5-F57 HydrophobicContact CD2-CE1 3.55Å; L5-F57 HydrophobicContact CD2-CZ 4.46Å; L5-F58 HydrophobicContact CD2-CD1 3.62Å; L5-F58 HydrophobicContact CD2-CE1 3.81Å; L5-F58 HydrophobicContact CG-CD1 4.15Å; L5-F58 HydrophobicContact CG-CE1 4.39Å; L5-C97 HydrophobicContact CB-CB 4.3Å; L5-C97 PolarHBondContact N-O 2.92Å; L5-C97 PolarHBondContact O-N 2.98Å
6Q95.7Very high94.4Very high71 Ų7135.2 Ų35.233%0.33217%0.173SC..  trans-79.8165.7164.9-66.6-66.3-7.700110.1T8 E9 L10 D59Q6-T8 VanDerWaalsContact C-N 3.34Å; Q6-T8 PolarHBondContact O-N 3.2Å; Q6-E9 PolarHBondContact O-N 3.22Å; Q6-L10 VanDerWaalsContact O-CB 3.23Å; Q6-L10 WeakPolarHBondContact O-CB 3.41Å; Q6-L10 PolarHBondContact O-N 3.35Å; Q6-D59 HydrophobicContact CG-CB 4.15Å; Q6-D59 PolarHBondContact NE2-OD1 2.8Å
7P94.2Very high94.5Very high39 Ų3933.2 Ų33.225%0.25316%0.163SC..Hα-helixtrans-59-38.1-172-28.137.3000114.7L10 I11 L95P7-L10 PolarHBondContact O-N 3.25Å; P7-I11 WeakPolarHBondContact O-CD1 3.39Å; P7-I11 WeakPolarHBondContact O-CG1 3.34Å; P7-I11 PolarHBondContact O-N 3.36Å; P7-I11 VanDerWaalsContact O-N 3.12Å; P7-L95 WeakPolarHBondContact CD-O 3.32Å; P7-L95 WeakPolarHBondContact CG-O 3.49Å
8T93.6Very high94.5Very high94 Ų9433.7 Ų33.758%0.57717%0.167SC*.Hα-helixtrans-64.7-53.9178.8-51.70000111.3Q6 L10 I11 V12Q6-T8 VanDerWaalsContact C-N 3.34Å; Q6-T8 PolarHBondContact O-N 3.2Å; T8-L10 VanDerWaalsContact C-N 3.27Å; T8-L10 PolarHBondContact O-N 2.87Å; T8-I11 PolarHBondContact O-N 3.19Å; T8-V12 PolarHBondContact O-N 2.71Å
9E95Very high94.5Very high31 Ų3132 Ų3215%0.14516%0.159CC..Hα-helixtrans-62-36.3177.8-73.657.8-13600111.1L5 Q6 I11 V12 F13 F57 R252L5-E9 HydrophobicContact CD2-CB 3.96Å; Q6-E9 PolarHBondContact O-N 3.22Å; E9-I11 PolarHBondContact O-N 3.25Å; E9-V12 PolarHBondContact O-N 3.12Å; E9-F13 VanDerWaalsContact O-CB 3.26Å; E9-F13 WeakPolarHBondContact O-CB 3.3Å; E9-F13 PolarHBondContact O-N 2.69Å; E9-F57 HydrophobicContact CB-CE1 4.16Å; E9-F57 HydrophobicContact CB-CE2 4.07Å; E9-F57 HydrophobicContact CB-CZ 3.85Å; E9-F57 HydrophobicContact CG-CD2 4.12Å; E9-F57 HydrophobicContact CG-CE2 3.96Å; E9-F57 HydrophobicContact CG-CZ 4.26Å; E9-F57 WeakPolarHBondContact CG-O 3.44Å; E9-F57 VanDerWaalsContact O-CZ 3.29Å; E9-F57 WeakPolarHBondContact O-CZ 3.46Å; E9-R252 IonicContact OE1-CZ 3.85Å; E9-R252 IonicContact OE1-NH1 2.71Å; E9-R252 PolarHBondContact OE1-NH1 3.16Å; E9-R252 IonicContact OE1-NH2 2.98Å
10L95.5Very high94.5Very high0 Ų030.5 Ų30.50%015%0.151CC..Hα-helixtrans-61.6-42174.9-179.763.6000112.6L5 Q6 P7 T8 V12 F13 V14 L86 V94 C97 Y112L5-L10 HydrophobicContact CB-CB 4.13Å; L5-L10 HydrophobicContact CB-CD1 4.44Å; L5-L10 HydrophobicContact CD1-CD1 3.91Å; Q6-L10 VanDerWaalsContact O-CB 3.23Å; Q6-L10 WeakPolarHBondContact O-CB 3.41Å; Q6-L10 PolarHBondContact O-N 3.35Å; P7-L10 PolarHBondContact O-N 3.25Å; T8-L10 VanDerWaalsContact C-N 3.27Å; T8-L10 PolarHBondContact O-N 2.87Å; L10-V12 VanDerWaalsContact C-N 3.33Å; L10-V12 PolarHBondContact O-N 2.79Å; L10-F13 PolarHBondContact O-N 3.29Å; L10-V14 HydrophobicContact CD1-CG2 3.97Å; L10-V14 HydrophobicContact CG-CG2 4.33Å; L10-V14 VanDerWaalsContact O-CB 3.25Å; L10-V14 WeakPolarHBondContact O-CB 3.21Å; L10-V14 WeakPolarHBondContact O-CG2 3.45Å; L10-V14 PolarHBondContact O-N 2.86Å; L10-L86 HydrophobicContact CD2-CD2 4.36Å; L10-L86 HydrophobicContact CG-CD1 4.41Å; L10-V94 HydrophobicContact CD2-CG1 4.02Å; L10-V94 HydrophobicContact CD2-CG2 3.78Å; L10-C97 HydrophobicContact CD1-CB 3.68Å; L10-C97 HydrophobicContact CD2-CB 3.76Å; L10-C97 HydrophobicContact CG-CB 4.26Å; L10-Y112 HydrophobicContact CD1-CE1 4.19Å; L10-Y112 HydrophobicContact CD2-CD1 4.05Å; L10-Y112 HydrophobicContact CD2-CE1 4.05Å
11I93.9Very high94.6Very high39 Ų3929.9 Ų29.920%0.215%0.153CC..Hα-helixtrans-62.8-42177.1-68.9161000110.5P7 T8 E9 R15 L86 E91P7-I11 WeakPolarHBondContact O-CD1 3.39Å; P7-I11 WeakPolarHBondContact O-CG1 3.34Å; P7-I11 PolarHBondContact O-N 3.36Å; P7-I11 VanDerWaalsContact O-N 3.12Å; T8-I11 PolarHBondContact O-N 3.19Å; E9-I11 PolarHBondContact O-N 3.25Å; I11-R15 WeakPolarHBondContact O-CB 3.45Å; I11-R15 VanDerWaalsContact O-CG 3.29Å; I11-R15 WeakPolarHBondContact O-CG 3.32Å; I11-R15 PolarHBondContact O-N 3.02Å; I11-R15 VanDerWaalsContact O-N 3.07Å; I11-L86 HydrophobicContact CG1-CD1 3.98Å; I11-E91 HydrophobicContact CD1-CG 3.94Å; I11-E91 HydrophobicContact CG1-CG 4.1Å
12V94.9Very high94.9Very high20 Ų2036 Ų3612%0.12118%0.179CC..Hα-helixtrans-64.4-48.8175.4177.90000110.8T8 E9 L10 V14 R15 A16 F57 F224 L227 I228 L253T8-V12 PolarHBondContact O-N 2.71Å; E9-V12 PolarHBondContact O-N 3.12Å; L10-V12 VanDerWaalsContact C-N 3.33Å; L10-V12 PolarHBondContact O-N 2.79Å; V12-V14 PolarHBondContact O-N 2.85Å; V12-R15 PolarHBondContact O-N 3.24Å; V12-A16 PolarHBondContact O-N 2.87Å; V12-F57 HydrophobicContact CB-CE2 4.32Å; V12-F57 HydrophobicContact CB-CZ 4.15Å; V12-F57 HydrophobicContact CG1-CE2 4.14Å; V12-F57 HydrophobicContact CG1-CZ 4.15Å; V12-F224 HydrophobicContact CG1-CE2 3.98Å; V12-F224 HydrophobicContact CG1-CZ 4.38Å; V12-F224 WeakPolarHBondContact O-CE2 3.44Å; V12-L227 HydrophobicContact CB-CD2 4.36Å; V12-L227 HydrophobicContact CG2-CD2 3.98Å; V12-L227 HydrophobicContact CG2-CG 4.28Å; V12-I228 HydrophobicContact CG1-CG2 3.75Å; V12-L253 HydrophobicContact CG1-CD2 3.84Å
13F95.9Very high95Very high1 Ų130.6 Ų30.60%0.00416%0.156CC..Hα-helixtrans-58.9-45.6179.8-172-101.6000112.6L5 E9 L10 A16 I17 L36 I38 F53 F57 F84 M99L5-F13 HydrophobicContact CD1-CB 3.93Å; L5-F13 HydrophobicContact CD1-CD1 3.57Å; L5-F13 HydrophobicContact CD1-CD2 4.24Å; L5-F13 HydrophobicContact CD1-CE1 4.11Å; L5-F13 HydrophobicContact CD1-CG 3.64Å; L5-F13 HydrophobicContact CD2-CB 4.5Å; E9-F13 VanDerWaalsContact O-CB 3.26Å; E9-F13 WeakPolarHBondContact O-CB 3.3Å; E9-F13 PolarHBondContact O-N 2.69Å; L10-F13 PolarHBondContact O-N 3.29Å; F13-A16 WeakPolarHBondContact O-CB 3.18Å; F13-A16 PolarHBondContact O-N 3.38Å; F13-I17 HydrophobicContact CD1-CD1 3.98Å; F13-I17 HydrophobicContact CE1-CD1 3.4Å; F13-I17 VanDerWaalsContact CE1-CD1 3.4Å; F13-I17 HydrophobicContact CE1-CG1 4.46Å; F13-I17 HydrophobicContact CZ-CD1 3.76Å; F13-I17 PolarHBondContact O-N 3.33Å; F13-L36 HydrophobicContact CE2-CD2 3.84Å; F13-L36 HydrophobicContact CZ-CD2 4.12Å; F13-I38 HydrophobicContact CD2-CD1 4.44Å; F13-I38 HydrophobicContact CE2-CD1 3.49Å; F13-I38 VanDerWaalsContact CE2-CD1 3.49Å; F13-I38 HydrophobicContact CZ-CD1 3.6Å; F13-F53 HydrophobicContact CD2-CD1 4.42Å; F13-F53 HydrophobicContact CD2-CD2 4.42Å; F13-F53 AromaticContact CD2-CE1 3.97Å; F13-F53 HydrophobicContact CD2-CE1 3.97Å; F13-F53 AromaticContact CD2-CE2 4Å; F13-F53 HydrophobicContact CD2-CE2 4Å; F13-F53 AromaticContact CD2-CZ 3.73Å; F13-F53 HydrophobicContact CD2-CZ 3.73Å; F13-F53 HydrophobicContact CE2-CD2 4.31Å; F13-F53 HydrophobicContact CE2-CE2 4.04Å; F13-F53 HydrophobicContact CE2-CZ 4.25Å; F13-F57 HydrophobicContact CB-CE1 4.14Å; F13-F57 HydrophobicContact CB-CZ 4.28Å; F13-F57 HydrophobicContact CD2-CE1 4.08Å; F13-F84 HydrophobicContact CD1-CE1 4.34Å; F13-F84 AromaticContact CE1-CE1 3.94Å; F13-F84 HydrophobicContact CE1-CE1 3.94Å; F13-F84 HydrophobicContact CE1-CZ 4.16Å; F13-M99 HydrophobicContact CE1-CE 4.04Å; F13-M99 HydrophobicContact CE1-SD 4.46Å; F13-M99 HydrophobicContact CE2-CE 4.49Å; F13-M99 HydrophobicContact CZ-CE 3.57Å; F13-M99 HydrophobicContact CZ-SD 4.43Å
14V95.3Very high95Very high6 Ų630.7 Ų30.74%0.03616%0.158CC..Hα-helixtrans-63-41.2176.2163.10000111.6L10 V12 I17 N18 F84 L86L10-V14 HydrophobicContact CD1-CG2 3.97Å; L10-V14 HydrophobicContact CG-CG2 4.33Å; L10-V14 VanDerWaalsContact O-CB 3.25Å; L10-V14 WeakPolarHBondContact O-CB 3.21Å; L10-V14 WeakPolarHBondContact O-CG2 3.45Å; L10-V14 PolarHBondContact O-N 2.86Å; V12-V14 PolarHBondContact O-N 2.85Å; V14-I17 PolarHBondContact O-N 2.92Å; V14-N18 WeakPolarHBondContact CG1-ND2 3.42Å; V14-N18 WeakPolarHBondContact O-CB 3.28Å; V14-N18 PolarHBondContact O-N 2.75Å; V14-N18 PolarHBondContact O-ND2 2.87Å; V14-F84 HydrophobicContact CG1-CB 4.42Å; V14-F84 VanDerWaalsContact CG1-O 3.25Å; V14-F84 WeakPolarHBondContact CG1-O 3.47Å; V14-F84 HydrophobicContact CG2-CB 4.19Å; V14-F84 HydrophobicContact CG2-CD1 4.01Å; V14-L86 HydrophobicContact CB-CD1 3.9Å; V14-L86 HydrophobicContact CB-CG 4.31Å; V14-L86 HydrophobicContact CG1-CB 4.37Å; V14-L86 HydrophobicContact CG1-CD1 3.91Å; V14-L86 HydrophobicContact CG1-CG 3.96Å; V14-L86 HydrophobicContact CG2-CD1 3.8Å; V14-L86 HydrophobicContact CG2-CG 3.95Å
15R94Very high94.8Very high110 Ų11037 Ų3742%0.41519%0.186SC..Hα-helixtrans-69.8-32.7176.8-72.7172.1-174.8-174.58.9112I11 V12 S19 E91 F224 L227I11-R15 WeakPolarHBondContact O-CB 3.45Å; I11-R15 VanDerWaalsContact O-CG 3.29Å; I11-R15 WeakPolarHBondContact O-CG 3.32Å; I11-R15 PolarHBondContact O-N 3.02Å; I11-R15 VanDerWaalsContact O-N 3.07Å; V12-R15 PolarHBondContact O-N 3.24Å; R15-S19 WeakPolarHBondContact O-CB 3.23Å; R15-S19 PolarHBondContact O-N 3.28Å; R15-E91 IonicContact NH2-OE1 2.83Å; R15-F224 HydrophobicContact CB-CD2 4.14Å; R15-L227 HydrophobicContact CB-CD2 4.08Å; R15-L227 HydrophobicContact CG-CD2 4.37Å
16A95.8Very high94.8Very high0 Ų039.4 Ų39.40%020%0.197CC..Hα-helixtrans-61.1-53.8171.300000111.4V12 F13 N18 S19 L20 V51 F53 F224V12-A16 PolarHBondContact O-N 2.87Å; F13-A16 WeakPolarHBondContact O-CB 3.18Å; F13-A16 PolarHBondContact O-N 3.38Å; A16-N18 VanDerWaalsContact C-N 3.34Å; A16-N18 PolarHBondContact O-N 2.86Å; A16-S19 WeakPolarHBondContact O-CB 3.37Å; A16-S19 PolarHBondContact O-N 2.78Å; A16-S19 VanDerWaalsContact O-N 3.08Å; A16-L20 WeakPolarHBondContact O-CG 3.37Å; A16-L20 PolarHBondContact O-N 2.91Å; A16-V51 HydrophobicContact CB-CG1 4.39Å; A16-F53 HydrophobicContact CB-CZ 3.72Å; A16-F224 HydrophobicContact CB-CD2 4.08Å; A16-F224 HydrophobicContact CB-CE1 4.27Å; A16-F224 HydrophobicContact CB-CE2 3.46Å; A16-F224 VanDerWaalsContact CB-CE2 3.46Å; A16-F224 HydrophobicContact CB-CZ 3.55Å
17I95.7Very high94.8Very high1 Ų136 Ų361%0.00518%0.182CC..Hα-helixtrans-60.4-43.6179.8-69.1178.4000111.1F13 V14 S19 L20 G21 F29 I38 C80 F84F13-I17 HydrophobicContact CD1-CD1 3.98Å; F13-I17 HydrophobicContact CE1-CD1 3.4Å; F13-I17 VanDerWaalsContact CE1-CD1 3.4Å; F13-I17 HydrophobicContact CE1-CG1 4.46Å; F13-I17 HydrophobicContact CZ-CD1 3.76Å; F13-I17 PolarHBondContact O-N 3.33Å; V14-I17 PolarHBondContact O-N 2.92Å; I17-S19 VanDerWaalsContact C-N 3.28Å; I17-S19 PolarHBondContact O-N 2.86Å; I17-L20 PolarHBondContact O-N 2.86Å; I17-G21 PolarHBondContact O-N 3.36Å; I17-F29 HydrophobicContact CD1-CE1 4.21Å; I17-F29 HydrophobicContact CD1-CZ 4.18Å; I17-I38 HydrophobicContact CD1-CD1 4.07Å; I17-I38 HydrophobicContact CG1-CD1 3.96Å; I17-C80 HydrophobicContact CG2-CB 3.75Å; I17-F84 HydrophobicContact CB-CD2 4.48Å; I17-F84 HydrophobicContact CD1-CD1 4.3Å; I17-F84 HydrophobicContact CD1-CD2 3.71Å; I17-F84 HydrophobicContact CD1-CE1 4.18Å; I17-F84 HydrophobicContact CD1-CE2 3.55Å; I17-F84 HydrophobicContact CD1-CG 4.07Å; I17-F84 HydrophobicContact CD1-CZ 3.8Å; I17-F84 HydrophobicContact CG2-CB 4.4Å; I17-F84 HydrophobicContact CG2-CD2 3.8Å; I17-F84 HydrophobicContact CG2-CE2 4.47Å; I17-F84 HydrophobicContact CG2-CG 4.33Å
18N94.3Very high94.9Very high42 Ų4235.8 Ų35.823%0.22518%0.176CC..Hα-helixtrans-71-19.6177.2-73.1-51.5000113.9V14 A16 K22 F84V14-N18 WeakPolarHBondContact CG1-ND2 3.42Å; V14-N18 WeakPolarHBondContact O-CB 3.28Å; V14-N18 PolarHBondContact O-N 2.75Å; V14-N18 PolarHBondContact O-ND2 2.87Å; A16-N18 VanDerWaalsContact C-N 3.34Å; A16-N18 PolarHBondContact O-N 2.86Å; N18-K22 WeakPolarHBondContact O-CD 3.5Å; N18-K22 WeakPolarHBondContact O-CE 3.33Å; N18-K22 VanDerWaalsContact O-CG 3.29Å; N18-K22 WeakPolarHBondContact O-CG 3.48Å; N18-F84 PolarHBondContact ND2-O 2.9Å
19S94.2Very high95Very high2 Ų231.3 Ų31.31%0.01415%0.148CC..Hα-helixtrans-77.1-43.6168.4-176.30000111.1R15 A16 I17 K22 V220R15-S19 WeakPolarHBondContact O-CB 3.23Å; R15-S19 PolarHBondContact O-N 3.28Å; A16-S19 WeakPolarHBondContact O-CB 3.37Å; A16-S19 PolarHBondContact O-N 2.78Å; A16-S19 VanDerWaalsContact O-N 3.08Å; I17-S19 VanDerWaalsContact C-N 3.28Å; I17-S19 PolarHBondContact O-N 2.86Å; S19-K22 PolarHBondContact O-N 2.89Å; S19-V220 WeakPolarHBondContact O-CG1 3.46Å; S19-V220 PolarHBondContact OG-O 2.94Å
20L95.7Very high95Very high1 Ų130 Ų301%0.00514%0.143CC..Hα-helixtrans-67-42.2178.9-64.7171.3000111.2A16 I17 K22 L23 G24 I38 T40 A49 V51A16-L20 WeakPolarHBondContact O-CG 3.37Å; A16-L20 PolarHBondContact O-N 2.91Å; I17-L20 PolarHBondContact O-N 2.86Å; L20-K22 PolarHBondContact O-N 2.95Å; L20-K22 VanDerWaalsContact O-N 3.13Å; L20-L23 WeakPolarHBondContact O-CB 3.41Å; L20-L23 PolarHBondContact O-N 3.14Å; L20-G24 PolarHBondContact O-N 3.03Å; L20-G24 VanDerWaalsContact O-N 3.11Å; L20-I38 HydrophobicContact CD1-CB 3.96Å; L20-I38 HydrophobicContact CD1-CG2 3.56Å; L20-T40 HydrophobicContact CB-CG2 3.97Å; L20-T40 HydrophobicContact CD2-CG2 3.79Å; L20-T40 HydrophobicContact CG-CG2 4.49Å; L20-A49 HydrophobicContact CD2-CB 3.43Å; L20-A49 VanDerWaalsContact CD2-CB 3.43Å; L20-V51 HydrophobicContact CD1-CG2 4.1Å; L20-V51 HydrophobicContact CD2-CG2 4.32Å; L20-V51 HydrophobicContact CG-CG2 4.44Å
21G94.9Very high94.8Very high18 Ų1830 Ų3019%0.18614%0.143CC..THydrogen-bonded Turntrans-66.2-11.7177.600000115.5I17 S77I17-G21 PolarHBondContact O-N 3.36Å; G21-S77 WeakPolarHBondContact CA-OG 3.49Å
22K93.6Very high94.7Very high139 Ų13928.2 Ų28.260%0.60413%0.133SC*.THydrogen-bonded Turntrans-89.2-18.8169-71.6169.7-172.4174.90113.2N18 S19 L20 V220N18-K22 WeakPolarHBondContact O-CD 3.5Å; N18-K22 WeakPolarHBondContact O-CE 3.33Å; N18-K22 VanDerWaalsContact O-CG 3.29Å; N18-K22 WeakPolarHBondContact O-CG 3.48Å; S19-K22 PolarHBondContact O-N 2.89Å; L20-K22 PolarHBondContact O-N 2.95Å; L20-K22 VanDerWaalsContact O-N 3.13Å; K22-V220 HydrophobicContact CB-CB 4.49Å; K22-V220 HydrophobicContact CB-CG1 3.71Å; K22-V220 HydrophobicContact CB-CG2 3.88Å; K22-V220 HydrophobicContact CD-CG1 4.31Å; K22-V220 HydrophobicContact CD-CG2 4.3Å
23L94.3Very high94.4Very high14 Ų1430.6 Ų30.67%0.07315%0.149CC..THydrogen-bonded Turntrans-92.7-39-178.3-178.963.3000111.9L20 T40 N42 A49 E217 F259L20-L23 WeakPolarHBondContact O-CB 3.41Å; L20-L23 PolarHBondContact O-N 3.14Å; L23-T40 HydrophobicContact CB-CG2 4.06Å; L23-T40 HydrophobicContact CD2-CG2 3.97Å; L23-T40 HydrophobicContact CG-CG2 4.18Å; L23-N42 WeakPolarHBondContact O-CA 3.32Å; L23-N42 WeakPolarHBondContact O-CB 3.22Å; L23-A49 HydrophobicContact CD2-CB 3.53Å; L23-E217 HydrophobicContact CD1-CB 3.81Å; L23-E217 HydrophobicContact CD1-CG 3.48Å; L23-E217 VanDerWaalsContact CD1-CG 3.48Å; L23-F259 HydrophobicContact CD1-CE1 4.41Å; L23-F259 HydrophobicContact CD2-CE1 4.45Å
24G94Very high94.1Very high4 Ų434.9 Ų34.94%0.04117%0.172CC..  trans-135.316117900000113.4L20 E26 T40 V41 S77L20-G24 PolarHBondContact O-N 3.03Å; L20-G24 VanDerWaalsContact O-N 3.11Å; G24-E26 VanDerWaalsContact C-N 3.33Å; G24-T40 WeakPolarHBondContact CA-OG1 3.33Å; G24-V41 WeakPolarHBondContact CA-O 3.4Å; G24-S77 WeakPolarHBondContact O-CB 3.21Å; G24-S77 PolarHBondContact O-OG 2.99Å
25H94.5Very high94Very high143 Ų14336 Ų3666%0.66218%0.178SC*.SBendtrans-79.9-14.3-178.4-64.2-74000113.9S77H25-S77 WeakPolarHBondContact O-CB 3.36Å; H25-S77 PolarHBondContact O-N 3.32Å; H25-S77 PolarHBondContact O-OG 2.85Å
26E95.4Very high94.1Very high53 Ų5330.8 Ų30.825%0.24816%0.158CC..EExtended strand (participates in β ladder)trans-130.8136.9179.3-56.7-171.1121.100110G24 Y28 T40 K74 S77G24-E26 VanDerWaalsContact C-N 3.33Å; E26-Y28 HydrophobicContact CB-CD2 4.32Å; E26-Y28 HydrophobicContact CB-CE2 3.74Å; E26-Y28 PolarHBondContact OE2-OH 3.37Å; E26-Y28 VanDerWaalsContact OE2-OH 3.12Å; E26-T40 WeakPolarHBondContact O-CB 3.45Å; E26-T40 PolarHBondContact O-OG1 3.02Å; E26-K74 VanDerWaalsContact OE1-CE 3.28Å; E26-K74 WeakPolarHBondContact OE1-CE 3.41Å; E26-K74 IonicContact OE1-NZ 2.73Å; E26-K74 PolarHBondContact OE1-NZ 2.9Å; E26-K74 IonicContact OE2-NZ 2.8Å; E26-K74 PolarHBondContact OE2-NZ 3.26Å; E26-S77 PolarHBondContact N-OG 2.75Å
27V96.7Very high94.1Very high0 Ų032.9 Ų32.90%017%0.167CC..EExtended strand (participates in β ladder)trans-106119.5173.7-175.60000107.9F29 I38 K74 I75 C80V27-F29 HydrophobicContact CB-CE2 4.06Å; V27-F29 HydrophobicContact CG1-CD2 4.3Å; V27-F29 HydrophobicContact CG1-CE2 3.62Å; V27-F29 HydrophobicContact CG1-CZ 3.89Å; V27-I38 HydrophobicContact CG1-CG2 3.27Å; V27-K74 CarbonylContact O-C 3.59Å; V27-K74 VanDerWaalsContact O-CA 3.29Å; V27-K74 WeakPolarHBondContact O-CA 3.29Å; V27-I75 PolarHBondContact N-O 3.3Å; V27-I75 PolarHBondContact O-N 3.19Å; V27-C80 HydrophobicContact CG2-CB 4.45Å
28Y96.7Very high94.2Very high33 Ų3332.8 Ų32.813%0.12917%0.167CC..EExtended strand (participates in β ladder)trans-97.9134.8-178-65.1-110.8000108.9E26 I38 K39 V41 K74 C129 L132E26-Y28 HydrophobicContact CB-CD2 4.32Å; E26-Y28 HydrophobicContact CB-CE2 3.74Å; E26-Y28 PolarHBondContact OE2-OH 3.37Å; E26-Y28 VanDerWaalsContact OE2-OH 3.12Å; Y28-I38 CarbonylContact O-C 3.58Å; Y28-I38 VanDerWaalsContact O-CA 3.32Å; Y28-I38 WeakPolarHBondContact O-CA 3.25Å; Y28-K39 PolarHBondContact N-O 2.89Å; Y28-K39 PolarHBondContact O-N 2.84Å; Y28-V41 HydrophobicContact CE2-CG1 4.43Å; Y28-K74 HydrophobicContact CD1-CB 3.87Å; Y28-K74 HydrophobicContact CD1-CD 4.32Å; Y28-K74 HydrophobicContact CD2-CB 4.48Å; Y28-K74 HydrophobicContact CE1-CB 4.16Å; Y28-K74 HydrophobicContact CE1-CD 3.75Å; Y28-K74 HydrophobicContact CG-CB 4.04Å; Y28-C129 HydrophobicContact CD1-CB 4.32Å; Y28-C129 HydrophobicContact CE1-CB 4.29Å; Y28-L132 HydrophobicContact CD1-CB 4.16Å; Y28-L132 HydrophobicContact CD1-CD2 4.21Å; Y28-L132 HydrophobicContact CD2-CD2 3.68Å; Y28-L132 HydrophobicContact CE1-CB 4.43Å; Y28-L132 HydrophobicContact CE1-CD2 4.37Å; Y28-L132 HydrophobicContact CE2-CD2 3.87Å; Y28-L132 HydrophobicContact CG-CB 4.48Å; Y28-L132 HydrophobicContact CG-CD2 3.87Å
29F95.6Very high94.3Very high0 Ų030.9 Ų30.90%016%0.157CC..EExtended strand (participates in β ladder)trans-118.5127.7179.1-64.9-103.1000108.7I17 V27 L36 I38 R72 F73 I75I17-F29 HydrophobicContact CD1-CE1 4.21Å; I17-F29 HydrophobicContact CD1-CZ 4.18Å; V27-F29 HydrophobicContact CB-CE2 4.06Å; V27-F29 HydrophobicContact CG1-CD2 4.3Å; V27-F29 HydrophobicContact CG1-CE2 3.62Å; V27-F29 HydrophobicContact CG1-CZ 3.89Å; F29-L36 HydrophobicContact CD1-CD1 4.42Å; F29-I38 HydrophobicContact CD1-CD1 3.96Å; F29-I38 HydrophobicContact CD1-CG1 3.92Å; F29-I38 HydrophobicContact CD1-CG2 4.4Å; F29-I38 HydrophobicContact CE1-CD1 3.61Å; F29-I38 HydrophobicContact CE1-CG1 4.07Å; F29-I38 HydrophobicContact CE1-CG2 4.23Å; F29-I38 HydrophobicContact CZ-CG2 4.4Å; F29-R72 WeakPolarHBondContact O-CA 3.37Å; F29-F73 HydrophobicContact CB-CD1 4.38Å; F29-F73 HydrophobicContact CB-CD2 3.96Å; F29-F73 HydrophobicContact CB-CE1 3.98Å; F29-F73 HydrophobicContact CB-CE2 3.51Å; F29-F73 HydrophobicContact CB-CG 4.37Å; F29-F73 HydrophobicContact CB-CZ 3.52Å; F29-F73 HydrophobicContact CD1-CE2 4.29Å; F29-F73 HydrophobicContact CD1-CZ 4.32Å; F29-F73 HydrophobicContact CD2-CD2 4Å; F29-F73 AromaticContact CD2-CE2 3.54Å; F29-F73 HydrophobicContact CD2-CE2 3.54Å; F29-F73 HydrophobicContact CD2-CZ 4.31Å; F29-F73 HydrophobicContact CE2-CE2 4.32Å; F29-F73 HydrophobicContact CG-CD2 4.23Å; F29-F73 AromaticContact CG-CE2 3.53Å; F29-F73 HydrophobicContact CG-CE2 3.53Å; F29-F73 AromaticContact CG-CZ 3.83Å; F29-F73 HydrophobicContact CG-CZ 3.83Å; F29-F73 PolarHBondContact N-O 3.12Å; F29-F73 PolarHBondContact O-N 3.49Å; F29-I75 HydrophobicContact CD2-CD1 4.5Å; F29-I75 HydrophobicContact CD2-CG1 4.49Å; F29-I75 HydrophobicContact CE2-CB 4.34Å; F29-I75 HydrophobicContact CE2-CD1 4.05Å; F29-I75 HydrophobicContact CE2-CG1 4.22Å
30E93.9Very high94.4Very high5 Ų530.8 Ų30.82%0.02316%0.156CC..EExtended strand (participates in β ladder)trans-122.8109.5170.5-55.9-179.7165.500108.4K37 K39 Q71 R72E30-K37 HydrophobicContact CB-CB 4.34Å; E30-K37 PolarHBondContact N-O 3.29Å; E30-K37 PolarHBondContact O-N 3.33Å; E30-K39 IonicContact OE1-NZ 3.22Å; E30-K39 PolarHBondContact OE1-NZ 2.98Å; E30-K39 WeakPolarHBondContact OE2-CE 3.38Å; E30-K39 IonicContact OE2-NZ 2.75Å; E30-K39 PolarHBondContact OE2-NZ 2.9Å; E30-Q71 WeakPolarHBondContact CA-O 3.26Å; E30-R72 HydrophobicContact CB-CG 4.41Å; E30-R72 HydrophobicContact CG-CG 3.98Å; E30-R72 IonicContact OE1-NE 2.6Å
31C92.6Very high94.4Very high0 Ų031.6 Ų31.60%016%0.161CC..EExtended strand (participates in β ladder)trans-92.2110.7173.7-1710000108.9M1 L36 L70 Q71M1-C31 HydrophobicContact CB-CB 4.43Å; M1-C31 HydrophobicContact CG-CB 4.24Å; M1-C31 HydrophobicContact SD-CB 4.01Å; C31-L36 HydrophobicContact CB-CD1 4.34Å; C31-L70 WeakPolarHBondContact O-CA 3.43Å; C31-Q71 HydrophobicContact CB-CB 4.28Å; C31-Q71 PolarHBondContact N-O 3.49Å; C31-Q71 PolarHBondContact O-N 2.91Å
32G90.8Very high94.4Very high1 Ų131.2 Ų31.21%0.0116%0.155CC..  trans-80.9-167.5166.900000112.2D35 S63G32-D35 PolarHBondContact N-O 2.83Å; G32-S63 WeakPolarHBondContact O-CB 3.42Å; G32-S63 PolarHBondContact O-OG 2.93Å; G32-S63 VanDerWaalsContact O-OG 3.13Å
33P88.2Confident94.3Very high69 Ų6928.5 Ų28.545%0.44816%0.158SC..SBendtrans-74.3-36175.128.6-33.4000113F61P33-F61 WeakPolarHBondContact O-CE1 3.31Å
34N90.3Very high94.1Very high92 Ų9228.9 Ų28.949%0.49216%0.162SC..SBendtrans-128.813.1-176-5782.5000112.9E55N34-E55 HydrophobicContact CB-CB 4.45Å; N34-E55 PolarHBondContact ND2-OE2 3.44Å; N34-E55 WeakPolarHBondContact O-CB 3.45Å; N34-E55 PolarHBondContact O-N 2.87Å
35D93.6Very high94Very high29 Ų2935.9 Ų35.916%0.15519%0.187CC..EExtended strand (participates in β ladder)trans-151.3159.5179.669.331.3000114.6G32 K37 H52 F53 F61G32-D35 PolarHBondContact N-O 2.83Å; D35-K37 IonicContact OD1-NZ 2.68Å; D35-K37 PolarHBondContact OD1-NZ 3.37Å; D35-K37 WeakPolarHBondContact OD2-CE 3.35Å; D35-K37 IonicContact OD2-NZ 2.71Å; D35-K37 PolarHBondContact OD2-NZ 2.81Å; D35-H52 VanDerWaalsContact CB-NE2 3.31Å; D35-H52 WeakPolarHBondContact CB-NE2 3.28Å; D35-H52 VanDerWaalsContact CG-NE2 3.29Å; D35-H52 IonicContact OD2-CD2 2.75Å; D35-H52 IonicContact OD2-CE1 3.88Å; D35-H52 IonicContact OD2-NE2 3.93Å; D35-H52 PolarHBondContact OD2-NE2 3.49Å; D35-F53 WeakPolarHBondContact CA-O 3.44Å; D35-F53 WeakPolarHBondContact CB-O 3.39Å; D35-F61 WeakPolarHBondContact O-CZ 3.44Å
36L95.4Very high94Very high0 Ų029.1 Ų29.10%016%0.156CC..EExtended strand (participates in β ladder)trans-124.2121.9169.3177.164000108.7M1 F13 F29 C31 I38 F53 F58 F61 M99M1-L36 HydrophobicContact CE-CD1 3.53Å; M1-L36 HydrophobicContact CE-CD2 3.53Å; M1-L36 HydrophobicContact CE-CG 4.05Å; M1-L36 HydrophobicContact SD-CD1 4.23Å; F13-L36 HydrophobicContact CE2-CD2 3.84Å; F13-L36 HydrophobicContact CZ-CD2 4.12Å; F29-L36 HydrophobicContact CD1-CD1 4.42Å; C31-L36 HydrophobicContact CB-CD1 4.34Å; L36-I38 HydrophobicContact CD2-CD1 4.2Å; L36-I38 HydrophobicContact CD2-CG1 4.29Å; L36-I38 HydrophobicContact CG-CG1 4.11Å; L36-F53 PolarHBondContact N-O 3.2Å; L36-F53 PolarHBondContact O-N 3.07Å; L36-F58 HydrophobicContact CB-CE2 4.32Å; L36-F58 HydrophobicContact CB-CZ 4.02Å; L36-F58 HydrophobicContact CD2-CE1 4.39Å; L36-F58 HydrophobicContact CD2-CZ 3.9Å; L36-F61 HydrophobicContact CB-CE2 4.23Å; L36-M99 HydrophobicContact CD2-CE 4.12Å
37K95.9Very high94Very high44 Ų4426.6 Ų26.619%0.19114%0.144CC..EExtended strand (participates in β ladder)trans-106.1126.2173-57.9176.2-174.7840108.2E30 D35 H52E30-K37 HydrophobicContact CB-CB 4.34Å; E30-K37 PolarHBondContact N-O 3.29Å; E30-K37 PolarHBondContact O-N 3.33Å; D35-K37 IonicContact OD1-NZ 2.68Å; D35-K37 PolarHBondContact OD1-NZ 3.37Å; D35-K37 WeakPolarHBondContact OD2-CE 3.35Å; D35-K37 IonicContact OD2-NZ 2.71Å; D35-K37 PolarHBondContact OD2-NZ 2.81Å; K37-H52 HydrophobicContact CG-CB 4.35Å
38I96.9Very high93.9Very high0 Ų026.7 Ų26.70%014%0.144CC..EExtended strand (participates in β ladder)trans-112.7120.9173.5-49.8-174000107.8F13 I17 L20 V27 Y28 F29 L36 V51 F53F13-I38 HydrophobicContact CD2-CD1 4.44Å; F13-I38 HydrophobicContact CE2-CD1 3.49Å; F13-I38 VanDerWaalsContact CE2-CD1 3.49Å; F13-I38 HydrophobicContact CZ-CD1 3.6Å; I17-I38 HydrophobicContact CD1-CD1 4.07Å; I17-I38 HydrophobicContact CG1-CD1 3.96Å; L20-I38 HydrophobicContact CD1-CB 3.96Å; L20-I38 HydrophobicContact CD1-CG2 3.56Å; V27-I38 HydrophobicContact CG1-CG2 3.27Å; Y28-I38 CarbonylContact O-C 3.58Å; Y28-I38 VanDerWaalsContact O-CA 3.32Å; Y28-I38 WeakPolarHBondContact O-CA 3.25Å; F29-I38 HydrophobicContact CD1-CD1 3.96Å; F29-I38 HydrophobicContact CD1-CG1 3.92Å; F29-I38 HydrophobicContact CD1-CG2 4.4Å; F29-I38 HydrophobicContact CE1-CD1 3.61Å; F29-I38 HydrophobicContact CE1-CG1 4.07Å; F29-I38 HydrophobicContact CE1-CG2 4.23Å; F29-I38 HydrophobicContact CZ-CG2 4.4Å; L36-I38 HydrophobicContact CD2-CD1 4.2Å; L36-I38 HydrophobicContact CD2-CG1 4.29Å; L36-I38 HydrophobicContact CG-CG1 4.11Å; I38-V51 PolarHBondContact N-O 3.3Å; I38-V51 PolarHBondContact O-N 3.13Å; I38-F53 HydrophobicContact CD1-CD2 4.38Å; I38-F53 HydrophobicContact CD1-CE2 3.81Å; I38-F53 HydrophobicContact CG1-CD2 4.34Å; I38-F53 HydrophobicContact CG1-CE2 4.03Å
39K97Very high94Very high1 Ų125.1 Ų25.10%0.00414%0.138CC..EExtended strand (participates in β ladder)trans-124.5158.2-170.8-60.8172.8174175.30111.1Y28 E30 F48 A49 L132 E133Y28-K39 PolarHBondContact N-O 2.89Å; Y28-K39 PolarHBondContact O-N 2.84Å; E30-K39 IonicContact OE1-NZ 3.22Å; E30-K39 PolarHBondContact OE1-NZ 2.98Å; E30-K39 WeakPolarHBondContact OE2-CE 3.38Å; E30-K39 IonicContact OE2-NZ 2.75Å; E30-K39 PolarHBondContact OE2-NZ 2.9Å; K39-F48 HydrophobicContact CB-CE2 4.19Å; K39-F48 HydrophobicContact CD-CE2 4.32Å; K39-F48 HydrophobicContact CD-CZ 4.28Å; K39-F48 HydrophobicContact CG-CE2 4.39Å; K39-F48 HydrophobicContact CG-CZ 4.35Å; K39-A49 CarbonylContact C-O 3.56Å; K39-A49 WeakPolarHBondContact CA-O 3.49Å; K39-L132 HydrophobicContact CB-CD2 4.18Å; K39-L132 WeakPolarHBondContact CD-O 3.5Å; K39-L132 WeakPolarHBondContact CE-O 3.22Å; K39-L132 PolarHBondContact NZ-O 3.4Å; K39-E133 IonicContact NZ-OE1 2.7Å; K39-E133 PolarHBondContact NZ-OE1 2.97Å; K39-E133 IonicContact NZ-OE2 3.62Å; K39-E133 PolarHBondContact NZ-OE2 3.27Å; K39-E133 VanDerWaalsContact NZ-OE2 3.17Å
40T97Very high94Very high0 Ų025.9 Ų25.90%014%0.144CC..EExtended strand (participates in β ladder)trans-153.3162.1167.3-165.10000110.8L20 L23 G24 E26 F48 A49L20-T40 HydrophobicContact CB-CG2 3.97Å; L20-T40 HydrophobicContact CD2-CG2 3.79Å; L20-T40 HydrophobicContact CG-CG2 4.49Å; L23-T40 HydrophobicContact CB-CG2 4.06Å; L23-T40 HydrophobicContact CD2-CG2 3.97Å; L23-T40 HydrophobicContact CG-CG2 4.18Å; G24-T40 WeakPolarHBondContact CA-OG1 3.33Å; E26-T40 WeakPolarHBondContact O-CB 3.45Å; E26-T40 PolarHBondContact O-OG1 3.02Å; T40-F48 WeakPolarHBondContact O-CA 3.38Å; T40-F48 WeakPolarHBondContact O-CD2 3.24Å; T40-A49 HydrophobicContact CG2-CB 4.16Å; T40-A49 PolarHBondContact N-O 3.06Å; T40-A49 PolarHBondContact O-N 3.09Å
41V95.8Very high94.2Very high19 Ų1925.6 Ų25.612%0.11514%0.142CC..EExtended strand (participates in β ladder)trans-137.2139.1173.861.40000108.8G24 Y28 R45 S47 L132 F384G24-V41 WeakPolarHBondContact CA-O 3.4Å; Y28-V41 HydrophobicContact CE2-CG1 4.43Å; V41-R45 HydrophobicContact CG2-CB 4.2Å; V41-R45 HydrophobicContact CG2-CG 4.09Å; V41-S47 WeakPolarHBondContact CA-O 3.35Å; V41-L132 HydrophobicContact CB-CD1 4.44Å; V41-L132 HydrophobicContact CB-CD2 4.27Å; V41-L132 HydrophobicContact CG1-CD1 4.13Å; V41-L132 HydrophobicContact CG1-CD2 4.09Å; V41-F384 HydrophobicContact CG2-CZ 4.29Å
42N94.3Very high94.3Very high10 Ų1027.5 Ų27.55%0.05315%0.151CC..  trans-73.6165.6-179.982.9-10.7000112.2L23 S44 R45 S46 S47 E217L23-N42 WeakPolarHBondContact O-CA 3.32Å; L23-N42 WeakPolarHBondContact O-CB 3.22Å; N42-S44 PolarHBondContact ND2-OG 3.28Å; N42-S44 PolarHBondContact O-N 2.92Å; N42-S44 VanDerWaalsContact O-N 3.14Å; N42-S44 PolarHBondContact OD1-N 3.1Å; N42-S44 PolarHBondContact OD1-OG 2.9Å; N42-R45 PolarHBondContact O-N 2.81Å; N42-R45 PolarHBondContact OD1-N 2.87Å; N42-R45 VanDerWaalsContact OD1-N 3.07Å; N42-S46 PolarHBondContact ND2-OG 3.49Å; N42-S46 PolarHBondContact OD1-N 2.87Å; N42-S46 PolarHBondContact OD1-OG 2.77Å; N42-S47 PolarHBondContact N-O 2.89Å; N42-S47 WeakPolarHBondContact ND2-CB 3.25Å; N42-S47 PolarHBondContact ND2-OG 3.34Å; N42-S47 PolarHBondContact OD1-N 2.96Å; N42-E217 PolarHBondContact ND2-OE1 3.04Å
43A90.9Very high94.6Very high82 Ų8227.5 Ų27.568%0.67815%0.151SC*.THydrogen-bonded Turntrans-58.8-29.3-174.800000114.4
44S91.1Very high95Very high21 Ų2130 Ų3015%0.14715%0.151CC..THydrogen-bonded Turntrans-87.11.2177.341.90000113.9N42 S46 K374 S378N42-S44 PolarHBondContact ND2-OG 3.28Å; N42-S44 PolarHBondContact O-N 2.92Å; N42-S44 VanDerWaalsContact O-N 3.14Å; N42-S44 PolarHBondContact OD1-N 3.1Å; N42-S44 PolarHBondContact OD1-OG 2.9Å; S44-S46 PolarHBondContact O-N 3.12Å; S44-S46 PolarHBondContact OG-OG 2.69Å; S44-S46 VanDerWaalsContact OG-OG 3.08Å; S44-K374 WeakPolarHBondContact CB-O 3.31Å; S44-S378 VanDerWaalsContact O-CA 3.3Å; S44-S378 WeakPolarHBondContact O-CA 3.37Å; S44-S378 WeakPolarHBondContact O-CB 3.29Å
45R92.2Very high95.2Very high151 Ų15129.3 Ų29.357%0.5715%0.145SC*.SBendtrans47.827.3-168-61.2-172.5178.2-170.5-1.3113.7V41 N42 F381 F384V41-R45 HydrophobicContact CG2-CB 4.2Å; V41-R45 HydrophobicContact CG2-CG 4.09Å; N42-R45 PolarHBondContact O-N 2.81Å; N42-R45 PolarHBondContact OD1-N 2.87Å; N42-R45 VanDerWaalsContact OD1-N 3.07Å; R45-F381 WeakPolarHBondContact O-CB 3.38Å; R45-F384 HydrophobicContact CB-CD2 4.11Å; R45-F384 HydrophobicContact CB-CE2 4.27Å; R45-F384 VanDerWaalsContact O-CE2 3.22Å; R45-F384 WeakPolarHBondContact O-CE2 3.44Å
46S93.2Very high95.3Very high1 Ų132.4 Ų32.41%0.00717%0.165CC..  trans-89.2-16.9177.867.80000112.7N42 S44 A260N42-S46 PolarHBondContact ND2-OG 3.49Å; N42-S46 PolarHBondContact OD1-N 2.87Å; N42-S46 PolarHBondContact OD1-OG 2.77Å; S44-S46 PolarHBondContact O-N 3.12Å; S44-S46 PolarHBondContact OG-OG 2.69Å; S44-S46 VanDerWaalsContact OG-OG 3.08Å; S46-A260 VanDerWaalsContact O-CB 3.29Å; S46-A260 WeakPolarHBondContact O-CB 3.21Å; S46-A260 PolarHBondContact O-N 2.86Å
47S95Very high95.3Very high0 Ų032.7 Ų32.70%017%0.166CC..EExtended strand (participates in β ladder)trans-145122.6-165.7-48.20000109.7V41 N42 E217 V258V41-S47 WeakPolarHBondContact CA-O 3.35Å; N42-S47 PolarHBondContact N-O 2.89Å; N42-S47 WeakPolarHBondContact ND2-CB 3.25Å; N42-S47 PolarHBondContact ND2-OG 3.34Å; N42-S47 PolarHBondContact OD1-N 2.96Å; S47-E217 WeakPolarHBondContact CB-OE2 3.39Å; S47-E217 VanDerWaalsContact OG-CD 3.26Å; S47-E217 PolarHBondContact OG-OE1 3.36Å; S47-E217 PolarHBondContact OG-OE2 3Å; S47-V258 WeakPolarHBondContact CA-O 3Å
48F96.4Very high95.3Very high2 Ų231.5 Ų31.51%0.00916%0.161CC..EExtended strand (participates in β ladder)trans-122.8149.2-176.1165.4-97.3000110.3K39 T40 L132 A134 Y136 Y257 V258 F384K39-F48 HydrophobicContact CB-CE2 4.19Å; K39-F48 HydrophobicContact CD-CE2 4.32Å; K39-F48 HydrophobicContact CD-CZ 4.28Å; K39-F48 HydrophobicContact CG-CE2 4.39Å; K39-F48 HydrophobicContact CG-CZ 4.35Å; T40-F48 WeakPolarHBondContact O-CA 3.38Å; T40-F48 WeakPolarHBondContact O-CD2 3.24Å; F48-L132 HydrophobicContact CD2-CD2 4.3Å; F48-L132 HydrophobicContact CD2-CG 4.34Å; F48-L132 HydrophobicContact CE2-CD2 4.09Å; F48-L132 HydrophobicContact CE2-CG 3.98Å; F48-A134 HydrophobicContact CB-CB 4.09Å; F48-A134 HydrophobicContact CD1-CB 3.54Å; F48-A134 HydrophobicContact CD2-CB 4.38Å; F48-A134 HydrophobicContact CE1-CB 3.99Å; F48-A134 HydrophobicContact CG-CB 3.76Å; F48-Y136 HydrophobicContact CE1-CE1 4.35Å; F48-Y257 WeakPolarHBondContact O-CA 3.22Å; F48-V258 HydrophobicContact CB-CB 4.48Å; F48-V258 HydrophobicContact CD1-CB 4.33Å; F48-V258 HydrophobicContact CD1-CG2 4.11Å; F48-V258 PolarHBondContact N-O 3.47Å; F48-V258 PolarHBondContact O-N 2.87Å; F48-F384 HydrophobicContact CB-CZ 4.1Å
49A97Very high95.2Very high0 Ų034.5 Ų34.50%018%0.177CC..EExtended strand (participates in β ladder)trans-140.9148.1172.600000111.8L20 L23 K39 T40 R256 Y257L20-A49 HydrophobicContact CD2-CB 3.43Å; L20-A49 VanDerWaalsContact CD2-CB 3.43Å; L23-A49 HydrophobicContact CD2-CB 3.53Å; K39-A49 CarbonylContact C-O 3.56Å; K39-A49 WeakPolarHBondContact CA-O 3.49Å; T40-A49 HydrophobicContact CG2-CB 4.16Å; T40-A49 PolarHBondContact N-O 3.06Å; T40-A49 PolarHBondContact O-N 3.09Å; A49-R256 WeakPolarHBondContact CA-O 3.23Å; A49-Y257 HydrophobicContact CB-CD1 3.35Å; A49-Y257 HydrophobicContact CB-CE1 3.64Å; A49-Y257 HydrophobicContact CB-CG 4.44Å
50S96.3Very high95Very high16 Ų1641.6 Ų41.611%0.11221%0.208CC..EExtended strand (participates in β ladder)trans-141.5123.4176.8-177.10000109.5A255 R256S50-A255 CarbonylContact O-C 3.57Å; S50-A255 WeakPolarHBondContact O-CA 3.23Å; S50-R256 PolarHBondContact N-O 2.68Å; S50-R256 PolarHBondContact O-N 3.4Å
51V97.1Very high94.8Very high0 Ų042.9 Ų42.90%021%0.213CC..EExtended strand (participates in β ladder)trans-112.2117.9169.7-173.10000108.1A16 L20 I38 F53 F224 L253 S254 A255A16-V51 HydrophobicContact CB-CG1 4.39Å; L20-V51 HydrophobicContact CD1-CG2 4.1Å; L20-V51 HydrophobicContact CD2-CG2 4.32Å; L20-V51 HydrophobicContact CG-CG2 4.44Å; I38-V51 PolarHBondContact N-O 3.3Å; I38-V51 PolarHBondContact O-N 3.13Å; V51-F53 HydrophobicContact CB-CE2 4.08Å; V51-F53 HydrophobicContact CB-CZ 4.4Å; V51-F53 HydrophobicContact CG1-CD2 4.24Å; V51-F53 HydrophobicContact CG1-CE1 4.14Å; V51-F53 HydrophobicContact CG1-CE2 3.57Å; V51-F53 HydrophobicContact CG1-CZ 3.53Å; V51-F224 HydrophobicContact CG1-CE1 4.12Å; V51-F224 HydrophobicContact CG1-CZ 4.12Å; V51-F224 HydrophobicContact CG2-CE1 4.09Å; V51-L253 HydrophobicContact CG1-CD1 4.45Å; V51-S254 WeakPolarHBondContact CA-O 3.46Å; V51-A255 HydrophobicContact CG1-CB 4.47Å; V51-A255 HydrophobicContact CG2-CB 4.06Å
52H96.5Very high94.4Very high40 Ų4044.9 Ų44.919%0.18523%0.229CC..EExtended strand (participates in β ladder)trans-107.2107.1-175.2176.4-157.4000109.3D35 K37 L253 S254D35-H52 VanDerWaalsContact CB-NE2 3.31Å; D35-H52 WeakPolarHBondContact CB-NE2 3.28Å; D35-H52 VanDerWaalsContact CG-NE2 3.29Å; D35-H52 IonicContact OD2-CD2 2.75Å; D35-H52 IonicContact OD2-CE1 3.88Å; D35-H52 IonicContact OD2-NE2 3.93Å; D35-H52 PolarHBondContact OD2-NE2 3.49Å; K37-H52 HydrophobicContact CG-CB 4.35Å; H52-L253 CarbonylContact O-C 3.53Å; H52-L253 WeakPolarHBondContact O-CA 3.36Å; H52-L253 WeakPolarHBondContact O-CB 3.45Å; H52-S254 PolarHBondContact N-O 3.35Å; H52-S254 PolarHBondContact O-N 3.23Å
53F97.2Very high93.8Very high0 Ų045.9 Ų45.90%024%0.236CC..EExtended strand (participates in β ladder)trans-94.2128.1173.2-55-90.4000108.9F13 A16 D35 L36 I38 V51 F57 F58 L253F13-F53 HydrophobicContact CD2-CD1 4.42Å; F13-F53 HydrophobicContact CD2-CD2 4.42Å; F13-F53 AromaticContact CD2-CE1 3.97Å; F13-F53 HydrophobicContact CD2-CE1 3.97Å; F13-F53 AromaticContact CD2-CE2 4Å; F13-F53 HydrophobicContact CD2-CE2 4Å; F13-F53 AromaticContact CD2-CZ 3.73Å; F13-F53 HydrophobicContact CD2-CZ 3.73Å; F13-F53 HydrophobicContact CE2-CD2 4.31Å; F13-F53 HydrophobicContact CE2-CE2 4.04Å; F13-F53 HydrophobicContact CE2-CZ 4.25Å; A16-F53 HydrophobicContact CB-CZ 3.72Å; D35-F53 WeakPolarHBondContact CA-O 3.44Å; D35-F53 WeakPolarHBondContact CB-O 3.39Å; L36-F53 PolarHBondContact N-O 3.2Å; L36-F53 PolarHBondContact O-N 3.07Å; I38-F53 HydrophobicContact CD1-CD2 4.38Å; I38-F53 HydrophobicContact CD1-CE2 3.81Å; I38-F53 HydrophobicContact CG1-CD2 4.34Å; I38-F53 HydrophobicContact CG1-CE2 4.03Å; V51-F53 HydrophobicContact CB-CE2 4.08Å; V51-F53 HydrophobicContact CB-CZ 4.4Å; V51-F53 HydrophobicContact CG1-CD2 4.24Å; V51-F53 HydrophobicContact CG1-CE1 4.14Å; V51-F53 HydrophobicContact CG1-CE2 3.57Å; V51-F53 HydrophobicContact CG1-CZ 3.53Å; F53-F57 HydrophobicContact CB-CB 4.42Å; F53-F57 HydrophobicContact CB-CD1 4.1Å; F53-F57 HydrophobicContact CB-CG 4.4Å; F53-F57 AromaticContact CD1-CD1 3.43Å; F53-F57 HydrophobicContact CD1-CD1 3.43Å; F53-F57 VanDerWaalsContact CD1-CD1 3.43Å; F53-F57 HydrophobicContact CD1-CD2 4.16Å; F53-F57 AromaticContact CD1-CE1 3.36Å; F53-F57 HydrophobicContact CD1-CE1 3.36Å; F53-F57 HydrophobicContact CD1-CE2 4.11Å; F53-F57 AromaticContact CD1-CG 3.83Å; F53-F57 HydrophobicContact CD1-CG 3.83Å; F53-F57 AromaticContact CD1-CZ 3.71Å; F53-F57 HydrophobicContact CD1-CZ 3.71Å; F53-F57 HydrophobicContact CE1-CD1 4.19Å; F53-F57 AromaticContact CE1-CE1 3.64Å; F53-F57 HydrophobicContact CE1-CE1 3.64Å; F53-F57 HydrophobicContact CE1-CE2 4.27Å; F53-F57 AromaticContact CE1-CZ 3.67Å; F53-F57 HydrophobicContact CE1-CZ 3.67Å; F53-F57 HydrophobicContact CG-CD1 4.1Å; F53-F57 HydrophobicContact CG-CE1 4.29Å; F53-F58 HydrophobicContact CB-CE2 3.74Å; F53-F58 HydrophobicContact CB-CZ 3.75Å; F53-F58 HydrophobicContact CG-CZ 4.35Å; F53-L253 HydrophobicContact CD1-CB 3.95Å; F53-L253 HydrophobicContact CD1-CD2 4.08Å; F53-L253 HydrophobicContact CE1-CB 4.49Å; F53-L253 HydrophobicContact CE1-CD2 4.02Å
54R95.5Very high92.5Very high121 Ų12145.3 Ų45.346%0.45723%0.225SC..EExtended strand (participates in β ladder)trans-86.7161.4172.7-56.8-164.6-168.8160.6-4.1110.4V56 F57 F58 T251 R252R54-V56 HydrophobicContact CB-CG2 4.13Å; R54-V56 PolarHBondContact O-N 3.37Å; R54-V56 VanDerWaalsContact O-N 3.1Å; R54-F57 VanDerWaalsContact O-CB 3.25Å; R54-F57 WeakPolarHBondContact O-CB 3.43Å; R54-F57 PolarHBondContact O-N 2.83Å; R54-F58 WeakPolarHBondContact O-CD2 3.4Å; R54-F58 WeakPolarHBondContact O-CE2 3.39Å; R54-T251 VanDerWaalsContact CD-O 3.24Å; R54-T251 WeakPolarHBondContact CD-O 3.29Å; R54-T251 PolarHBondContact NE-O 3.35Å; R54-T251 PolarHBondContact NH1-O 3.45Å; R54-R252 PolarHBondContact N-O 3.12Å
55E94.5Very high91.5Very high79 Ų7947 Ų4737%0.36923%0.232SC..G310 helixtrans-42.9-42.5173.1173.2163.5-145.700113.9N34 F57 F58 F61N34-E55 HydrophobicContact CB-CB 4.45Å; N34-E55 PolarHBondContact ND2-OE2 3.44Å; N34-E55 WeakPolarHBondContact O-CB 3.45Å; N34-E55 PolarHBondContact O-N 2.87Å; E55-F57 PolarHBondContact O-N 3.47Å; E55-F58 PolarHBondContact O-N 2.82Å; E55-F61 HydrophobicContact CB-CB 4.44Å; E55-F61 HydrophobicContact CB-CG 4.48Å; E55-F61 HydrophobicContact CG-CB 3.93Å; E55-F61 HydrophobicContact CG-CG 4.44Å
56V94.9Very high90Very high93 Ų9345.6 Ų45.656%0.56424%0.243SC*.G310 helixtrans-66.6-0.5177.9-58.60000115.7R54 R252R54-V56 HydrophobicContact CB-CG2 4.13Å; R54-V56 PolarHBondContact O-N 3.37Å; R54-V56 VanDerWaalsContact O-N 3.1Å; V56-R252 HydrophobicContact CG2-CG 4.25Å
57F95.8Very high88.5Confident7 Ų752.6 Ų52.63%0.03128%0.281CS..G310 helixtrans-88.4-12.3168-178.5-98.7000112.5L5 E9 V12 F13 F53 R54 E55 L253L5-F57 HydrophobicContact CD2-CD1 3.94Å; L5-F57 HydrophobicContact CD2-CE1 3.55Å; L5-F57 HydrophobicContact CD2-CZ 4.46Å; E9-F57 HydrophobicContact CB-CE1 4.16Å; E9-F57 HydrophobicContact CB-CE2 4.07Å; E9-F57 HydrophobicContact CB-CZ 3.85Å; E9-F57 HydrophobicContact CG-CD2 4.12Å; E9-F57 HydrophobicContact CG-CE2 3.96Å; E9-F57 HydrophobicContact CG-CZ 4.26Å; E9-F57 WeakPolarHBondContact CG-O 3.44Å; E9-F57 VanDerWaalsContact O-CZ 3.29Å; E9-F57 WeakPolarHBondContact O-CZ 3.46Å; V12-F57 HydrophobicContact CB-CE2 4.32Å; V12-F57 HydrophobicContact CB-CZ 4.15Å; V12-F57 HydrophobicContact CG1-CE2 4.14Å; V12-F57 HydrophobicContact CG1-CZ 4.15Å; F13-F57 HydrophobicContact CB-CE1 4.14Å; F13-F57 HydrophobicContact CB-CZ 4.28Å; F13-F57 HydrophobicContact CD2-CE1 4.08Å; F53-F57 HydrophobicContact CB-CB 4.42Å; F53-F57 HydrophobicContact CB-CD1 4.1Å; F53-F57 HydrophobicContact CB-CG 4.4Å; F53-F57 AromaticContact CD1-CD1 3.43Å; F53-F57 HydrophobicContact CD1-CD1 3.43Å; F53-F57 VanDerWaalsContact CD1-CD1 3.43Å; F53-F57 HydrophobicContact CD1-CD2 4.16Å; F53-F57 AromaticContact CD1-CE1 3.36Å; F53-F57 HydrophobicContact CD1-CE1 3.36Å; F53-F57 HydrophobicContact CD1-CE2 4.11Å; F53-F57 AromaticContact CD1-CG 3.83Å; F53-F57 HydrophobicContact CD1-CG 3.83Å; F53-F57 AromaticContact CD1-CZ 3.71Å; F53-F57 HydrophobicContact CD1-CZ 3.71Å; F53-F57 HydrophobicContact CE1-CD1 4.19Å; F53-F57 AromaticContact CE1-CE1 3.64Å; F53-F57 HydrophobicContact CE1-CE1 3.64Å; F53-F57 HydrophobicContact CE1-CE2 4.27Å; F53-F57 AromaticContact CE1-CZ 3.67Å; F53-F57 HydrophobicContact CE1-CZ 3.67Å; F53-F57 HydrophobicContact CG-CD1 4.1Å; F53-F57 HydrophobicContact CG-CE1 4.29Å; R54-F57 VanDerWaalsContact O-CB 3.25Å; R54-F57 WeakPolarHBondContact O-CB 3.43Å; R54-F57 PolarHBondContact O-N 2.83Å; E55-F57 PolarHBondContact O-N 3.47Å; F57-L253 HydrophobicContact CD2-CD2 3.85Å; F57-L253 HydrophobicContact CE2-CD2 3.56Å; F57-L253 HydrophobicContact CZ-CD2 4.31Å
58F95.8Very high87Confident18 Ų1854.7 Ų54.78%0.07930%0.302CS..SBendtrans-110.8145.9-175.1-56.4-85.7000111.2V3 V4 L5 L36 F53 R54 E55 K60 F61V3-F58 HydrophobicContact CB-CD1 3.79Å; V3-F58 HydrophobicContact CB-CE1 4.1Å; V3-F58 HydrophobicContact CB-CG 4.38Å; V3-F58 HydrophobicContact CG1-CD1 4.39Å; V3-F58 HydrophobicContact CG1-CE1 4.46Å; V3-F58 HydrophobicContact CG2-CD1 4.09Å; V3-F58 HydrophobicContact CG2-CE1 4.01Å; V4-F58 CarbonylContact O-C 3.54Å; V4-F58 WeakPolarHBondContact O-CA 3.2Å; V4-F58 WeakPolarHBondContact O-CB 3.34Å; L5-F58 HydrophobicContact CD2-CD1 3.62Å; L5-F58 HydrophobicContact CD2-CE1 3.81Å; L5-F58 HydrophobicContact CG-CD1 4.15Å; L5-F58 HydrophobicContact CG-CE1 4.39Å; L36-F58 HydrophobicContact CB-CE2 4.32Å; L36-F58 HydrophobicContact CB-CZ 4.02Å; L36-F58 HydrophobicContact CD2-CE1 4.39Å; L36-F58 HydrophobicContact CD2-CZ 3.9Å; F53-F58 HydrophobicContact CB-CE2 3.74Å; F53-F58 HydrophobicContact CB-CZ 3.75Å; F53-F58 HydrophobicContact CG-CZ 4.35Å; R54-F58 WeakPolarHBondContact O-CD2 3.4Å; R54-F58 WeakPolarHBondContact O-CE2 3.39Å; E55-F58 PolarHBondContact O-N 2.82Å; F58-K60 VanDerWaalsContact C-N 3.32Å; F58-F61 HydrophobicContact CB-CB 4.38Å; F58-F61 HydrophobicContact CB-CD2 4.43Å; F58-F61 AromaticContact CD2-CD2 3.53Å; F58-F61 HydrophobicContact CD2-CD2 3.53Å; F58-F61 HydrophobicContact CD2-CE2 4.12Å; F58-F61 AromaticContact CE2-CD2 3.87Å; F58-F61 HydrophobicContact CE2-CD2 3.87Å; F58-F61 AromaticContact CE2-CE2 3.96Å; F58-F61 HydrophobicContact CE2-CE2 3.96Å; F58-F61 AromaticContact CG-CD2 3.97Å; F58-F61 HydrophobicContact CG-CD2 3.97Å; F58-F61 HydrophobicContact CZ-CE2 4.49Å
59D95Very high85.8Confident64 Ų6457.1 Ų57.134%0.34232%0.319SS..SBendtrans-65.9-37.7174.217095.6000111.8V4 Q6 K96V4-D59 HydrophobicContact CB-CB 4.02Å; V4-D59 HydrophobicContact CG1-CB 3.85Å; V4-D59 VanDerWaalsContact CG1-OD2 3.28Å; V4-D59 WeakPolarHBondContact CG1-OD2 3.35Å; V4-D59 PolarHBondContact O-N 3.02Å; Q6-D59 HydrophobicContact CG-CB 4.15Å; Q6-D59 PolarHBondContact NE2-OD1 2.8Å; D59-K96 IonicContact OD1-NZ 3.16Å; D59-K96 PolarHBondContact OD1-NZ 3.38Å; D59-K96 VanDerWaalsContact OD1-NZ 3.16Å; D59-K96 IonicContact OD2-NZ 2.69Å; D59-K96 PolarHBondContact OD2-NZ 2.99Å
60K93.5Very high85.1Confident149 Ų14959.9 Ų59.965%0.64833%0.334SS*.EExtended strand (participates in β ladder)trans-146.1135.1168.7-61.7-171.1-179.4-169.10107.8V3 V4 F58V3-K60 CarbonylContact C-O 3.59Å; V3-K60 WeakPolarHBondContact CA-O 3.33Å; V4-K60 HydrophobicContact CB-CB 4.23Å; V4-K60 HydrophobicContact CG2-CB 4.01Å; V4-K60 PolarHBondContact N-O 3.07Å; F58-K60 VanDerWaalsContact C-N 3.32Å
61F93.1Very high84.6Confident27 Ų2759.8 Ų59.812%0.11833%0.331CS..EExtended strand (participates in β ladder)trans-120.1144.6173.9-166.4-92000109.5V3 P33 D35 L36 E55 F58V3-F61 HydrophobicContact CB-CD2 4.36Å; V3-F61 HydrophobicContact CG1-CD2 3.41Å; V3-F61 VanDerWaalsContact CG1-CD2 3.41Å; V3-F61 HydrophobicContact CG1-CE2 3.51Å; V3-F61 HydrophobicContact CG1-CG 4.27Å; V3-F61 HydrophobicContact CG1-CZ 4.41Å; P33-F61 WeakPolarHBondContact O-CE1 3.31Å; D35-F61 WeakPolarHBondContact O-CZ 3.44Å; L36-F61 HydrophobicContact CB-CE2 4.23Å; E55-F61 HydrophobicContact CB-CB 4.44Å; E55-F61 HydrophobicContact CB-CG 4.48Å; E55-F61 HydrophobicContact CG-CB 3.93Å; E55-F61 HydrophobicContact CG-CG 4.44Å; F58-F61 HydrophobicContact CB-CB 4.38Å; F58-F61 HydrophobicContact CB-CD2 4.43Å; F58-F61 AromaticContact CD2-CD2 3.53Å; F58-F61 HydrophobicContact CD2-CD2 3.53Å; F58-F61 HydrophobicContact CD2-CE2 4.12Å; F58-F61 AromaticContact CE2-CD2 3.87Å; F58-F61 HydrophobicContact CE2-CD2 3.87Å; F58-F61 AromaticContact CE2-CE2 3.96Å; F58-F61 HydrophobicContact CE2-CE2 3.96Å; F58-F61 AromaticContact CG-CD2 3.97Å; F58-F61 HydrophobicContact CG-CD2 3.97Å; F58-F61 HydrophobicContact CZ-CE2 4.49Å
62S87.6Confident84.4Confident62 Ų6263.5 Ų63.543%0.43435%0.346SS..EExtended strand (participates in β ladder)trans-159.2117.1176.5176.80000110.4K2K2-S62 PolarHBondContact N-O 2.74Å; K2-S62 PolarHBondContact O-N 3.05Å
63S80.4Confident84.3Confident30 Ų3061.7 Ų61.721%0.2134%0.337CS..  trans-94.9133.6167.5-163.40000109.2G32G32-S63 WeakPolarHBondContact O-CB 3.42Å; G32-S63 PolarHBondContact O-OG 2.93Å; G32-S63 VanDerWaalsContact O-OG 3.13Å
64P65Low84.2Confident70 Ų7063.5 Ų63.546%0.45535%0.345SS..  trans-85.3-8.9-172.636.4-38.5000113.6P66P64-P66 VanDerWaalsContact O-CD 3.31Å; P64-P66 WeakPolarHBondContact O-CD 3.41Å
65L69.9Low84.2Confident56 Ų5657.8 Ų57.829%0.29332%0.323SS..  trans-88.6111-169.4-72.3170000110.9N67 S69 Q71L65-N67 PolarHBondContact O-N 2.82Å; L65-N67 VanDerWaalsContact O-N 3.16Å; L65-S69 WeakPolarHBondContact CD1-O 3.46Å; L65-Q71 HydrophobicContact CD1-CB 3.78Å
66P60.9Low84.3Confident123 Ų12356 Ų5680%0.79932%0.318SS*.THydrogen-bonded Turntrans-67.1-20.3-173.3-21.434.5000114.2P64P64-P66 VanDerWaalsContact O-CD 3.31Å; P64-P66 WeakPolarHBondContact O-CD 3.41Å
67N60.9Low84.3Confident148 Ų14851.8 Ų51.879%0.79129%0.294SS*.THydrogen-bonded Turntrans-96.613-168.6-60.5-3.5000113.3L65 S69L65-N67 PolarHBondContact O-N 2.82Å; L65-N67 VanDerWaalsContact O-N 3.16Å; N67-S69 PolarHBondContact O-N 2.9Å; N67-S69 VanDerWaalsContact O-N 3.16Å
68G63Low84.2Confident43 Ų4355.1 Ų55.144%0.44332%0.318SS..  trans68.27.8-176.400000114.9
69S71.8Confident84.2Confident54 Ų5455.7 Ų55.738%0.37832%0.324SS..PPolyproline II helixtrans-66.8144.8175.640.50000111.5L65 N67L65-S69 WeakPolarHBondContact CD1-O 3.46Å; N67-S69 PolarHBondContact O-N 2.9Å; N67-S69 VanDerWaalsContact O-N 3.16Å
70L81.4Confident84.2Confident58 Ų5852.7 Ų52.730%0.30431%0.308SS..PPolyproline II helixtrans-83125.8178.2-78.466.5000109.8C31 R72C31-L70 WeakPolarHBondContact O-CA 3.43Å; L70-R72 HydrophobicContact CB-CG 4.26Å; L70-R72 PolarHBondContact O-N 2.95Å
71Q86.9Confident84Confident13 Ų1347.6 Ų47.66%0.06129%0.291CS..EExtended strand (participates in β ladder)trans-78.1116.7168.3-171.3164.864.100108E30 C31 L65 F73 L101 D105E30-Q71 WeakPolarHBondContact CA-O 3.26Å; C31-Q71 HydrophobicContact CB-CB 4.28Å; C31-Q71 PolarHBondContact N-O 3.49Å; C31-Q71 PolarHBondContact O-N 2.91Å; L65-Q71 HydrophobicContact CD1-CB 3.78Å; Q71-F73 HydrophobicContact CG-CD1 4.46Å; Q71-L101 HydrophobicContact CG-CD2 4.35Å; Q71-D105 PolarHBondContact NE2-OD1 2.82Å; Q71-D105 PolarHBondContact NE2-OD2 3.26Å
72R92.3Very high83.9Confident79 Ų7951.6 Ų51.630%0.29831%0.313SS..EExtended strand (participates in β ladder)trans-120.3129.4-177.2-55.7-164.3-169.183.3-12.4111.3F29 E30 L70F29-R72 WeakPolarHBondContact O-CA 3.37Å; E30-R72 HydrophobicContact CB-CG 4.41Å; E30-R72 HydrophobicContact CG-CG 3.98Å; E30-R72 IonicContact OE1-NE 2.6Å; L70-R72 HydrophobicContact CB-CG 4.26Å; L70-R72 PolarHBondContact O-N 2.95Å
73F94.3Very high84.1Confident1 Ų149.2 Ų49.20%0.00430%0.297CS..EExtended strand (participates in β ladder)trans-153.6162.2174.960.3-94000110.9M1 F29 Q71 I75 L101 L108 I126 I127M1-F73 HydrophobicContact SD-CE1 4.38Å; M1-F73 HydrophobicContact SD-CZ 4.37Å; F29-F73 HydrophobicContact CB-CD1 4.38Å; F29-F73 HydrophobicContact CB-CD2 3.96Å; F29-F73 HydrophobicContact CB-CE1 3.98Å; F29-F73 HydrophobicContact CB-CE2 3.51Å; F29-F73 HydrophobicContact CB-CG 4.37Å; F29-F73 HydrophobicContact CB-CZ 3.52Å; F29-F73 HydrophobicContact CD1-CE2 4.29Å; F29-F73 HydrophobicContact CD1-CZ 4.32Å; F29-F73 HydrophobicContact CD2-CD2 4Å; F29-F73 AromaticContact CD2-CE2 3.54Å; F29-F73 HydrophobicContact CD2-CE2 3.54Å; F29-F73 HydrophobicContact CD2-CZ 4.31Å; F29-F73 HydrophobicContact CE2-CE2 4.32Å; F29-F73 HydrophobicContact CG-CD2 4.23Å; F29-F73 AromaticContact CG-CE2 3.53Å; F29-F73 HydrophobicContact CG-CE2 3.53Å; F29-F73 AromaticContact CG-CZ 3.83Å; F29-F73 HydrophobicContact CG-CZ 3.83Å; F29-F73 PolarHBondContact N-O 3.12Å; F29-F73 PolarHBondContact O-N 3.49Å; Q71-F73 HydrophobicContact CG-CD1 4.46Å; F73-I75 HydrophobicContact CD2-CD1 4.3Å; F73-I75 HydrophobicContact CD2-CG1 4.14Å; F73-I75 HydrophobicContact CE2-CD1 3.96Å; F73-I75 HydrophobicContact CE2-CG1 4.27Å; F73-L101 HydrophobicContact CD1-CD2 4.4Å; F73-L101 HydrophobicContact CE1-CD1 4.35Å; F73-L101 HydrophobicContact CE1-CD2 4.36Å; F73-L101 HydrophobicContact CZ-CD1 4.42Å; F73-L108 HydrophobicContact CE2-CD2 4.05Å; F73-L108 HydrophobicContact CZ-CD1 4.18Å; F73-L108 HydrophobicContact CZ-CD2 4.25Å; F73-I126 HydrophobicContact CB-CB 4.07Å; F73-I126 HydrophobicContact CB-CD1 3.51Å; F73-I126 HydrophobicContact CB-CG1 3.99Å; F73-I126 HydrophobicContact CD1-CD1 4.03Å; F73-I126 HydrophobicContact CD2-CB 3.92Å; F73-I126 HydrophobicContact CD2-CD1 4.19Å; F73-I126 HydrophobicContact CD2-CG2 3.86Å; F73-I126 HydrophobicContact CE2-CG2 4.18Å; F73-I126 HydrophobicContact CG-CB 4.19Å; F73-I126 HydrophobicContact CG-CD1 3.67Å; F73-I126 HydrophobicContact CG-CG1 4.38Å; F73-I126 HydrophobicContact CG-CG2 4.38Å; F73-I127 CarbonylContact C-O 3.59Å; F73-I127 WeakPolarHBondContact CA-O 3.35Å
74K95.4Very high84.7Confident39 Ų3947.9 Ų47.917%0.1729%0.287CS..EExtended strand (participates in β ladder)trans-125.8154.2174.267.1-179.5-177158.60111.9E26 V27 Y28 I127 C129E26-K74 VanDerWaalsContact OE1-CE 3.28Å; E26-K74 WeakPolarHBondContact OE1-CE 3.41Å; E26-K74 IonicContact OE1-NZ 2.73Å; E26-K74 PolarHBondContact OE1-NZ 2.9Å; E26-K74 IonicContact OE2-NZ 2.8Å; E26-K74 PolarHBondContact OE2-NZ 3.26Å; V27-K74 CarbonylContact O-C 3.59Å; V27-K74 VanDerWaalsContact O-CA 3.29Å; V27-K74 WeakPolarHBondContact O-CA 3.29Å; Y28-K74 HydrophobicContact CD1-CB 3.87Å; Y28-K74 HydrophobicContact CD1-CD 4.32Å; Y28-K74 HydrophobicContact CD2-CB 4.48Å; Y28-K74 HydrophobicContact CE1-CB 4.16Å; Y28-K74 HydrophobicContact CE1-CD 3.75Å; Y28-K74 HydrophobicContact CG-CB 4.04Å; K74-I127 HydrophobicContact CG-CB 3.92Å; K74-I127 HydrophobicContact CG-CG2 4.41Å; K74-I127 PolarHBondContact N-O 2.92Å; K74-I127 PolarHBondContact O-N 2.9Å; K74-C129 HydrophobicContact CB-CB 4.4Å; K74-C129 HydrophobicContact CD-CB 4.06Å; K74-C129 HydrophobicContact CG-CB 4.08Å
75I96.1Very high85.9Confident0 Ų052.9 Ų52.90%030%0.297CS..EExtended strand (participates in β ladder)trans-134.1137.9178.1-57.2-180000108.3V27 F29 F73 S77 C80 L108 M124 I126V27-I75 PolarHBondContact N-O 3.3Å; V27-I75 PolarHBondContact O-N 3.19Å; F29-I75 HydrophobicContact CD2-CD1 4.5Å; F29-I75 HydrophobicContact CD2-CG1 4.49Å; F29-I75 HydrophobicContact CE2-CB 4.34Å; F29-I75 HydrophobicContact CE2-CD1 4.05Å; F29-I75 HydrophobicContact CE2-CG1 4.22Å; F73-I75 HydrophobicContact CD2-CD1 4.3Å; F73-I75 HydrophobicContact CD2-CG1 4.14Å; F73-I75 HydrophobicContact CE2-CD1 3.96Å; F73-I75 HydrophobicContact CE2-CG1 4.27Å; I75-S77 PolarHBondContact O-N 3.27Å; I75-C80 VanDerWaalsContact CG2-SG 3.56Å; I75-L108 HydrophobicContact CD1-CB 4.22Å; I75-L108 HydrophobicContact CD1-CD2 3.55Å; I75-M124 HydrophobicContact CD1-CB 4.37Å; I75-M124 HydrophobicContact CD1-CE 4.3Å; I75-M124 HydrophobicContact CD1-SD 4.43Å; I75-M124 HydrophobicContact CG2-SD 4.12Å; I75-I126 HydrophobicContact CD1-CG2 4.11Å; I75-I126 HydrophobicContact CG1-CB 4.44Å; I75-I126 HydrophobicContact CG1-CG2 4.23Å
76P96.3Very high86.7Confident41 Ų4151.7 Ų51.727%0.26629%0.29SS..EExtended strand (participates in β ladder)trans-57.4135.7173.4-2635.4000112.3S78 S79 C80P76-S78 PolarHBondContact O-N 2.9Å; P76-S78 VanDerWaalsContact O-N 3.09Å; P76-S79 WeakPolarHBondContact O-CB 3.25Å; P76-S79 PolarHBondContact O-N 2.78Å; P76-C80 PolarHBondContact O-N 2.86Å; P76-C80 VanDerWaalsContact O-N 3.12Å
77S95.1Very high88.1Confident6 Ų649 Ų494%0.04227%0.272CS..Hα-helixtrans-58.9-26.4-177.7-63.70000113.4G21 G24 H25 E26 I75 S81G21-S77 WeakPolarHBondContact CA-OG 3.49Å; G24-S77 WeakPolarHBondContact O-CB 3.21Å; G24-S77 PolarHBondContact O-OG 2.99Å; H25-S77 WeakPolarHBondContact O-CB 3.36Å; H25-S77 PolarHBondContact O-N 3.32Å; H25-S77 PolarHBondContact O-OG 2.85Å; E26-S77 PolarHBondContact N-OG 2.75Å; I75-S77 PolarHBondContact O-N 3.27Å; S77-S81 VanDerWaalsContact O-CB 3.28Å; S77-S81 WeakPolarHBondContact O-CB 3.21Å; S77-S81 PolarHBondContact O-N 2.95Å; S77-S81 PolarHBondContact O-OG 2.7Å
78S94.3Very high89.5Confident77 Ų7745.3 Ų45.354%0.53826%0.257SS..Hα-helixtrans-64.3-48.5171.847.20000112.4P76 S81 N82P76-S78 PolarHBondContact O-N 2.9Å; P76-S78 VanDerWaalsContact O-N 3.09Å; S78-S81 PolarHBondContact O-N 2.85Å; S78-N82 PolarHBondContact O-N 2.75Å; S78-N82 PolarHBondContact O-ND2 3.16Å
79S94.8Very high90.8Very high30 Ų3046.5 Ų46.521%0.2126%0.264CS..Hα-helixtrans-61.7-44.9175.8-58.10000111.3P76 S81 N82 V83P76-S79 WeakPolarHBondContact O-CB 3.25Å; P76-S79 PolarHBondContact O-N 2.78Å; S79-S81 PolarHBondContact O-N 2.88Å; S79-N82 PolarHBondContact O-N 3.13Å; S79-V83 PolarHBondContact O-N 3.16Å
80C94.3Very high91.7Very high0 Ų044.3 Ų44.30%025%0.248CC..Hα-helixtrans-58.4-47.3173.4-670000112.1I17 V27 I75 P76 N82 V83 F84I17-C80 HydrophobicContact CG2-CB 3.75Å; V27-C80 HydrophobicContact CG2-CB 4.45Å; I75-C80 VanDerWaalsContact CG2-SG 3.56Å; P76-C80 PolarHBondContact O-N 2.86Å; P76-C80 VanDerWaalsContact O-N 3.12Å; C80-N82 PolarHBondContact O-N 3.04Å; C80-V83 PolarHBondContact O-N 2.8Å; C80-F84 HydrophobicContact CB-CD2 4.29Å; C80-F84 WeakPolarHBondContact O-CB 3.34Å; C80-F84 WeakPolarHBondContact O-CD2 3.34Å; C80-F84 PolarHBondContact O-N 2.9Å
81S90.9Very high92.2Very high42 Ų4244.5 Ų44.529%0.29425%0.247SC..Hα-helixtrans-64.5-26-179.4-59.20000113.4S77 S78 S79S77-S81 VanDerWaalsContact O-CB 3.28Å; S77-S81 WeakPolarHBondContact O-CB 3.21Å; S77-S81 PolarHBondContact O-N 2.95Å; S77-S81 PolarHBondContact O-OG 2.7Å; S78-S81 PolarHBondContact O-N 2.85Å; S79-S81 PolarHBondContact O-N 2.88Å
82N90.9Very high92.4Very high111 Ų11152.5 Ų52.559%0.59428%0.276SS*.Hα-helixtrans-77.3-42.6175.8-74.4-21.5000112.3S78 S79 C80S78-N82 PolarHBondContact O-N 2.75Å; S78-N82 PolarHBondContact O-ND2 3.16Å; S79-N82 PolarHBondContact O-N 3.13Å; C80-N82 PolarHBondContact O-N 3.04Å
83V92Very high92.5Very high13 Ų1350.2 Ų50.28%0.07927%0.272CS..Hα-helixtrans-82.5-40.1-177176.60000112.2S79 C80 R85 I110 Y112 Y122 M124S79-V83 PolarHBondContact O-N 3.16Å; C80-V83 PolarHBondContact O-N 2.8Å; V83-R85 PolarHBondContact O-N 2.87Å; V83-R85 VanDerWaalsContact O-N 3.12Å; V83-I110 HydrophobicContact CG1-CB 3.88Å; V83-I110 HydrophobicContact CG1-CG1 3.68Å; V83-I110 HydrophobicContact CG1-CG2 4.2Å; V83-Y112 PolarHBondContact O-OH 2.73Å; V83-Y122 HydrophobicContact CB-CG 4.49Å; V83-Y122 HydrophobicContact CG1-CD1 4.35Å; V83-Y122 HydrophobicContact CG1-CD2 4.25Å; V83-Y122 HydrophobicContact CG1-CG 3.83Å; V83-Y122 HydrophobicContact CG2-CD1 4.01Å; V83-Y122 HydrophobicContact CG2-CG 4.18Å; V83-M124 HydrophobicContact CB-CE 4.08Å; V83-M124 HydrophobicContact CB-SD 3.9Å; V83-M124 HydrophobicContact CG1-CE 4Å; V83-M124 HydrophobicContact CG1-SD 4.46Å; V83-M124 HydrophobicContact CG2-CE 4.24Å; V83-M124 HydrophobicContact CG2-CG 3.77Å; V83-M124 HydrophobicContact CG2-SD 3.66Å
84F92.4Very high92.6Very high1 Ų150.6 Ų50.60%0.00428%0.275CS..THydrogen-bonded Turntrans-87.142.4176.2-61.3-68.8000111.6F13 V14 I17 N18 C80 M99 I110 M124F13-F84 HydrophobicContact CD1-CE1 4.34Å; F13-F84 AromaticContact CE1-CE1 3.94Å; F13-F84 HydrophobicContact CE1-CE1 3.94Å; F13-F84 HydrophobicContact CE1-CZ 4.16Å; V14-F84 HydrophobicContact CG1-CB 4.42Å; V14-F84 VanDerWaalsContact CG1-O 3.25Å; V14-F84 WeakPolarHBondContact CG1-O 3.47Å; V14-F84 HydrophobicContact CG2-CB 4.19Å; V14-F84 HydrophobicContact CG2-CD1 4.01Å; I17-F84 HydrophobicContact CB-CD2 4.48Å; I17-F84 HydrophobicContact CD1-CD1 4.3Å; I17-F84 HydrophobicContact CD1-CD2 3.71Å; I17-F84 HydrophobicContact CD1-CE1 4.18Å; I17-F84 HydrophobicContact CD1-CE2 3.55Å; I17-F84 HydrophobicContact CD1-CG 4.07Å; I17-F84 HydrophobicContact CD1-CZ 3.8Å; I17-F84 HydrophobicContact CG2-CB 4.4Å; I17-F84 HydrophobicContact CG2-CD2 3.8Å; I17-F84 HydrophobicContact CG2-CE2 4.47Å; I17-F84 HydrophobicContact CG2-CG 4.33Å; N18-F84 PolarHBondContact ND2-O 2.9Å; C80-F84 HydrophobicContact CB-CD2 4.29Å; C80-F84 WeakPolarHBondContact O-CB 3.34Å; C80-F84 WeakPolarHBondContact O-CD2 3.34Å; C80-F84 PolarHBondContact O-N 2.9Å; F84-M99 HydrophobicContact CZ-SD 4.28Å; F84-I110 HydrophobicContact CE1-CD1 4.19Å; F84-I110 HydrophobicContact CE1-CG1 4.34Å; F84-I110 HydrophobicContact CE1-CG2 4.23Å; F84-I110 HydrophobicContact CZ-CD1 3.72Å; F84-I110 HydrophobicContact CZ-CG1 4.01Å; F84-M124 HydrophobicContact CE2-CE 3.92Å; F84-M124 HydrophobicContact CZ-CE 4.33Å
85R89.8Confident92.6Very high175 Ų17552.9 Ų52.966%0.6629%0.289SS*.  trans-102.178.5176.4-162.5177.6-176.7-150.50.5111.2V83 T87V83-R85 PolarHBondContact O-N 2.87Å; V83-R85 VanDerWaalsContact O-N 3.12Å; R85-T87 PolarHBondContact O-N 3.17Å
86L87.7Confident92.6Very high31 Ų3155.6 Ų55.616%0.16230%0.3CS..  trans-64.7101.6168.7-67.7177000109.5L10 I11 V14 L90 E91 Y112L10-L86 HydrophobicContact CD2-CD2 4.36Å; L10-L86 HydrophobicContact CG-CD1 4.41Å; I11-L86 HydrophobicContact CG1-CD1 3.98Å; V14-L86 HydrophobicContact CB-CD1 3.9Å; V14-L86 HydrophobicContact CB-CG 4.31Å; V14-L86 HydrophobicContact CG1-CB 4.37Å; V14-L86 HydrophobicContact CG1-CD1 3.91Å; V14-L86 HydrophobicContact CG1-CG 3.96Å; V14-L86 HydrophobicContact CG2-CD1 3.8Å; V14-L86 HydrophobicContact CG2-CG 3.95Å; L86-L90 HydrophobicContact CD2-CD2 4.01Å; L86-L90 HydrophobicContact CD2-CG 3.93Å; L86-E91 HydrophobicContact CB-CB 4.43Å; L86-Y112 HydrophobicContact CD2-CE1 4.05Å
87T89.8Confident92.6Very high68 Ų6853.7 Ų53.742%0.41729%0.288SS..  trans-75.6154.5164.265.60000109R85 A89 L90 E91R85-T87 PolarHBondContact O-N 3.17Å; T87-A89 CarbonylContact O-C 3.6Å; T87-A89 PolarHBondContact O-N 3.3Å; T87-L90 WeakPolarHBondContact O-CA 3.39Å; T87-L90 PolarHBondContact O-N 3.05Å; T87-L90 PolarHBondContact OG1-N 3.28Å; T87-E91 WeakPolarHBondContact O-CB 3.36Å; T87-E91 PolarHBondContact O-N 3.28Å
88S90Very high92.7Very high69 Ų6956.8 Ų56.848%0.48330%0.301SS..THydrogen-bonded Turntrans-63.1-9.7179.9-43.40000114.2R92S88-R92 WeakPolarHBondContact O-CD 3.49Å; S88-R92 VanDerWaalsContact O-CG 3.3Å; S88-R92 WeakPolarHBondContact O-CG 3.38Å; S88-R92 PolarHBondContact O-NH1 3.25Å
89A90.1Very high92.7Very high69 Ų6953.2 Ų53.257%0.5728%0.276SS*.THydrogen-bonded Turntrans-80.6-50.7165.900000111T87 R92 S93T87-A89 CarbonylContact O-C 3.6Å; T87-A89 PolarHBondContact O-N 3.3Å; A89-R92 PolarHBondContact O-N 2.79Å; A89-S93 WeakPolarHBondContact O-CB 3.24Å; A89-S93 PolarHBondContact O-N 2.83Å; A89-S93 PolarHBondContact O-OG 3.35Å
90L90.4Very high92.7Very high8 Ų854.6 Ų54.64%0.04228%0.278CS..Hα-helixtrans-63-42.2179.4-177.457.4000112.3L86 T87 R92 S93 V94 K120L86-L90 HydrophobicContact CD2-CD2 4.01Å; L86-L90 HydrophobicContact CD2-CG 3.93Å; T87-L90 WeakPolarHBondContact O-CA 3.39Å; T87-L90 PolarHBondContact O-N 3.05Å; T87-L90 PolarHBondContact OG1-N 3.28Å; L90-R92 PolarHBondContact O-N 3.14Å; L90-S93 WeakPolarHBondContact CA-OG 3.43Å; L90-S93 PolarHBondContact O-N 3.47Å; L90-S93 VanDerWaalsContact O-N 3.12Å; L90-S93 PolarHBondContact O-OG 2.99Å; L90-V94 WeakPolarHBondContact O-CB 3.4Å; L90-V94 WeakPolarHBondContact O-CG1 3.42Å; L90-V94 PolarHBondContact O-N 3.13Å; L90-K120 HydrophobicContact CD1-CD 4.47Å
91E91.7Very high92.6Very high62 Ų6255.3 Ų55.329%0.2928%0.282SS..Hα-helixtrans-59.1-32.4176.9-169.5175.7-159.900112.6I11 R15 L86 T87I11-E91 HydrophobicContact CD1-CG 3.94Å; I11-E91 HydrophobicContact CG1-CG 4.1Å; R15-E91 IonicContact NH2-OE1 2.83Å; L86-E91 HydrophobicContact CB-CB 4.43Å; T87-E91 WeakPolarHBondContact O-CB 3.36Å; T87-E91 PolarHBondContact O-N 3.28Å
92R92.5Very high92.4Very high180 Ų18054.7 Ų54.768%0.67928%0.277SS*.Hα-helixtrans-89.8-18.2176.3-63-179-167119.6-13.3113.8S88 A89 L90 K115S88-R92 WeakPolarHBondContact O-CD 3.49Å; S88-R92 VanDerWaalsContact O-CG 3.3Å; S88-R92 WeakPolarHBondContact O-CG 3.38Å; S88-R92 PolarHBondContact O-NH1 3.25Å; A89-R92 PolarHBondContact O-N 2.79Å; L90-R92 PolarHBondContact O-N 3.14Å; R92-K115 PolarHBondContact O-NZ 3.03Å
93S94Very high91.7Very high31 Ų3155.9 Ų55.922%0.21729%0.294CS..Hα-helixtrans-96.4-28.2-178.7730000113.5A89 L90 C114 K115A89-S93 WeakPolarHBondContact O-CB 3.24Å; A89-S93 PolarHBondContact O-N 2.83Å; A89-S93 PolarHBondContact O-OG 3.35Å; L90-S93 WeakPolarHBondContact CA-OG 3.43Å; L90-S93 PolarHBondContact O-N 3.47Å; L90-S93 VanDerWaalsContact O-N 3.12Å; L90-S93 PolarHBondContact O-OG 2.99Å; S93-C114 CarbonylContact O-C 3.56Å; S93-C114 WeakPolarHBondContact O-CA 3.2Å; S93-C114 WeakPolarHBondContact O-CB 3.37Å; S93-K115 PolarHBondContact O-N 2.88Å
94V95.4Very high91.1Very high9 Ų962.8 Ų62.86%0.05533%0.326CS..EExtended strand (participates in β ladder)trans-67.3134.7-178.167.90000111.4L10 L90 Y112L10-V94 HydrophobicContact CD2-CG1 4.02Å; L10-V94 HydrophobicContact CD2-CG2 3.78Å; L90-V94 WeakPolarHBondContact O-CB 3.4Å; L90-V94 WeakPolarHBondContact O-CG1 3.42Å; L90-V94 PolarHBondContact O-N 3.13Å; V94-Y112 HydrophobicContact CG2-CD1 4.17Å
95L96.1Very high90.6Very high88 Ų8865.9 Ų65.946%0.46134%0.343SS..EExtended strand (participates in β ladder)trans-109.2-32.3176-61177.6000111.2P7 F113 K115P7-L95 WeakPolarHBondContact CD-O 3.32Å; P7-L95 WeakPolarHBondContact CG-O 3.49Å; L95-F113 PolarHBondContact N-O 2.88Å; L95-K115 HydrophobicContact CD1-CG 4.1Å; L95-K115 HydrophobicContact CD2-CG 3.82Å; L95-K115 HydrophobicContact CG-CG 4.03Å
96K95.6Very high90.5Very high56 Ų5660.8 Ų60.824%0.24333%0.331CS..EExtended strand (participates in β ladder)trans-159.4146-175.9-158.4172.2-174.670.10109.6V4 D59 F113V4-K96 HydrophobicContact CG1-CD 4.21Å; V4-K96 VanDerWaalsContact CG1-CE 3.5Å; V4-K96 HydrophobicContact CG1-CG 3.83Å; D59-K96 IonicContact OD1-NZ 3.16Å; D59-K96 PolarHBondContact OD1-NZ 3.38Å; D59-K96 VanDerWaalsContact OD1-NZ 3.16Å; D59-K96 IonicContact OD2-NZ 2.69Å; D59-K96 PolarHBondContact OD2-NZ 2.99Å; K96-F113 HydrophobicContact CB-CB 4.21Å; K96-F113 PolarHBondContact N-O 2.86Å; K96-F113 PolarHBondContact O-N 2.88Å
97C96.8Very high90.8Very high2 Ų261.1 Ų61.11%0.01433%0.334CS..EExtended strand (participates in β ladder)trans-119.2126.8168.9177.60000110V4 L5 L10 Q111 Y112V4-C97 CarbonylContact C-O 3.49Å; V4-C97 WeakPolarHBondContact CA-O 3.45Å; L5-C97 HydrophobicContact CB-CB 4.3Å; L5-C97 PolarHBondContact N-O 2.92Å; L5-C97 PolarHBondContact O-N 2.98Å; L10-C97 HydrophobicContact CD1-CB 3.68Å; L10-C97 HydrophobicContact CD2-CB 3.76Å; L10-C97 HydrophobicContact CG-CB 4.26Å; C97-Q111 CarbonylContact C-O 3.59Å; C97-Q111 VanDerWaalsContact CA-O 3.32Å; C97-Q111 WeakPolarHBondContact CA-O 2.94Å; C97-Y112 HydrophobicContact CB-CD1 4.33Å
98K96.7Very high91Very high71 Ų7157.9 Ų57.931%0.30931%0.314SS..EExtended strand (participates in β ladder)trans-104.2130.8170.2-54.3178.6-163.8165.40107.7V4 Q111 F113V4-K98 HydrophobicContact CG2-CG 4.4Å; K98-Q111 HydrophobicContact CB-CB 4.42Å; K98-Q111 PolarHBondContact N-O 2.84Å; K98-Q111 PolarHBondContact O-N 2.82Å; K98-F113 HydrophobicContact CB-CE2 4.05Å; K98-F113 HydrophobicContact CD-CD2 4.15Å; K98-F113 HydrophobicContact CD-CE2 3.31Å; K98-F113 HydrophobicContact CD-CZ 3.63Å; K98-F113 HydrophobicContact CG-CD2 4.01Å; K98-F113 HydrophobicContact CG-CE2 3.52Å; K98-F113 HydrophobicContact CG-CZ 4.34Å
99M95.6Very high91.3Very high2 Ų255.2 Ų55.21%0.0130%0.295CS..EExtended strand (participates in β ladder)trans-125124.7174.6167.6167.473.300108.8M1 K2 V3 F13 L36 F84 L108 T109 I110M1-M99 HydrophobicContact CE-CE 3.61Å; K2-M99 CarbonylContact C-O 3.54Å; K2-M99 WeakPolarHBondContact CA-O 3.45Å; V3-M99 HydrophobicContact CG2-CB 3.88Å; V3-M99 HydrophobicContact CG2-CE 3.43Å; V3-M99 VanDerWaalsContact CG2-CE 3.43Å; V3-M99 HydrophobicContact CG2-CG 4.27Å; V3-M99 PolarHBondContact N-O 3.4Å; V3-M99 PolarHBondContact O-N 2.98Å; F13-M99 HydrophobicContact CE1-CE 4.04Å; F13-M99 HydrophobicContact CE1-SD 4.46Å; F13-M99 HydrophobicContact CE2-CE 4.49Å; F13-M99 HydrophobicContact CZ-CE 3.57Å; F13-M99 HydrophobicContact CZ-SD 4.43Å; L36-M99 HydrophobicContact CD2-CE 4.12Å; F84-M99 HydrophobicContact CZ-SD 4.28Å; M99-L108 HydrophobicContact CG-CD1 3.74Å; M99-L108 HydrophobicContact CG-CG 4.26Å; M99-L108 HydrophobicContact SD-CD1 4.13Å; M99-L108 HydrophobicContact SD-CD2 3.95Å; M99-L108 HydrophobicContact SD-CG 4.35Å; M99-T109 WeakPolarHBondContact CA-O 3.37Å; M99-I110 HydrophobicContact CB-CD1 3.77Å; M99-I110 HydrophobicContact CG-CD1 3.39Å; M99-I110 HydrophobicContact SD-CD1 3.45Å; M99-I110 WeakPolarHBondContact SD-CD1 3.25Å
100F94Very high91.5Very high58 Ų5852 Ų5225%0.25427%0.268SS..EExtended strand (participates in β ladder)trans-148.2155.9-179.659.5-88.2000112.4M1 K2 T109 Q111M1-F100 CarbonylContact O-C 3.56Å; M1-F100 VanDerWaalsContact O-CA 3.22Å; M1-F100 WeakPolarHBondContact O-CA 3.5Å; K2-F100 HydrophobicContact CB-CB 4.12Å; K2-F100 HydrophobicContact CG-CB 4.16Å; F100-T109 HydrophobicContact CE1-CG2 3.85Å; F100-T109 HydrophobicContact CE2-CG2 3.93Å; F100-T109 HydrophobicContact CZ-CG2 3.44Å; F100-T109 VanDerWaalsContact CZ-CG2 3.44Å; F100-T109 PolarHBondContact N-O 2.93Å; F100-T109 PolarHBondContact O-N 3.47Å; F100-Q111 HydrophobicContact CE1-CG 4.17Å
101L91.8Very high91.8Very high15 Ų1553.5 Ų53.58%0.07928%0.275CS..EExtended strand (participates in β ladder)trans-94.9145.4174.8-145.568.2000109.9M1 Q71 F73 D105 V107 L108 I126M1-L101 HydrophobicContact CB-CB 4.45Å; M1-L101 PolarHBondContact O-N 3.27Å; Q71-L101 HydrophobicContact CG-CD2 4.35Å; F73-L101 HydrophobicContact CD1-CD2 4.4Å; F73-L101 HydrophobicContact CE1-CD1 4.35Å; F73-L101 HydrophobicContact CE1-CD2 4.36Å; F73-L101 HydrophobicContact CZ-CD1 4.42Å; L101-D105 HydrophobicContact CD2-CB 3.8Å; L101-D105 WeakPolarHBondContact CD2-OD1 3.36Å; L101-V107 CarbonylContact C-O 3.59Å; L101-V107 WeakPolarHBondContact CA-O 3.29Å; L101-V107 WeakPolarHBondContact CD1-O 3.28Å; L101-L108 HydrophobicContact CD1-CB 3.78Å; L101-L108 HydrophobicContact CD1-CD1 3.71Å; L101-L108 HydrophobicContact CD1-CG 4.37Å; L101-I126 HydrophobicContact CD1-CD1 3.85Å; L101-I126 HydrophobicContact CD1-CG2 3.92Å; L101-I126 HydrophobicContact CD2-CD1 3.85Å; L101-I126 HydrophobicContact CG-CD1 4.33Å
102S86.2Confident92.1Very high29 Ų2950.5 Ų50.520%0.20326%0.261CS..  trans-64.4160.117866.70000112Q104 D105 T106 V107S102-Q104 PolarHBondContact O-N 3.48Å; S102-D105 PolarHBondContact O-N 2.88Å; S102-T106 PolarHBondContact OG-N 2.91Å; S102-T106 PolarHBondContact OG-OG1 3.5Å; S102-V107 PolarHBondContact N-O 2.93Å; S102-V107 PolarHBondContact OG-N 2.85Å
103S76.9Confident92.3Very high136 Ų13643.3 Ų43.395%0.95124%0.235SC*.THydrogen-bonded Turntrans-65.5-1.5179-41.40000115.1
104Q79.7Confident92.3Very high159 Ų15942.2 Ų42.274%0.74323%0.227SC*.THydrogen-bonded Turntrans-109.73.4173.2-66.3179.3-1200111.8S102 T106S102-Q104 PolarHBondContact O-N 3.48Å; Q104-T106 HydrophobicContact CB-CG2 4.2Å; Q104-T106 PolarHBondContact O-N 3.47Å; Q104-T106 VanDerWaalsContact O-N 3.12Å
105D81.2Confident92.2Very high66 Ų6646.4 Ų46.435%0.35324%0.244SC..SBendtrans52.724.8-172.8-70.5-24.2000114.5Q71 L101 S102 I126Q71-D105 PolarHBondContact NE2-OD1 2.82Å; Q71-D105 PolarHBondContact NE2-OD2 3.26Å; L101-D105 HydrophobicContact CD2-CB 3.8Å; L101-D105 WeakPolarHBondContact CD2-OD1 3.36Å; S102-D105 PolarHBondContact O-N 2.88Å; D105-I126 WeakPolarHBondContact O-CD1 3.34Å
106T88.2Confident92.1Very high67 Ų6751.5 Ų51.541%0.41126%0.263SS..  trans-96.9-22.5-17747.90000114.9S102 Q104 I126S102-T106 PolarHBondContact OG-N 2.91Å; S102-T106 PolarHBondContact OG-OG1 3.5Å; Q104-T106 HydrophobicContact CB-CG2 4.2Å; Q104-T106 PolarHBondContact O-N 3.47Å; Q104-T106 VanDerWaalsContact O-N 3.12Å; T106-I126 PolarHBondContact O-N 3.47Å; T106-I126 VanDerWaalsContact O-N 3.11Å
107V93.3Very high92Very high38 Ų3851 Ų5123%0.2327%0.274CS..EExtended strand (participates in β ladder)trans-135.5129-170.3176.90000110.4L101 S102 N123 M124L101-V107 CarbonylContact C-O 3.59Å; L101-V107 WeakPolarHBondContact CA-O 3.29Å; L101-V107 WeakPolarHBondContact CD1-O 3.28Å; S102-V107 PolarHBondContact N-O 2.93Å; S102-V107 PolarHBondContact OG-N 2.85Å; V107-N123 HydrophobicContact CG1-CB 3.77Å; V107-M124 CarbonylContact C-O 3.55Å; V107-M124 WeakPolarHBondContact CA-O 3.33Å
108L94.9Very high91.9Very high0 Ų053.7 Ų53.70%029%0.288CS..EExtended strand (participates in β ladder)trans-92.2112.5168.4-171.369.3000109.7F73 I75 M99 L101 I110 M124 I126F73-L108 HydrophobicContact CE2-CD2 4.05Å; F73-L108 HydrophobicContact CZ-CD1 4.18Å; F73-L108 HydrophobicContact CZ-CD2 4.25Å; I75-L108 HydrophobicContact CD1-CB 4.22Å; I75-L108 HydrophobicContact CD1-CD2 3.55Å; M99-L108 HydrophobicContact CG-CD1 3.74Å; M99-L108 HydrophobicContact CG-CG 4.26Å; M99-L108 HydrophobicContact SD-CD1 4.13Å; M99-L108 HydrophobicContact SD-CD2 3.95Å; M99-L108 HydrophobicContact SD-CG 4.35Å; L101-L108 HydrophobicContact CD1-CB 3.78Å; L101-L108 HydrophobicContact CD1-CD1 3.71Å; L101-L108 HydrophobicContact CD1-CG 4.37Å; L108-I110 HydrophobicContact CD2-CD1 4.1Å; L108-I110 HydrophobicContact CG-CD1 3.98Å; L108-M124 HydrophobicContact CD2-CE 4.05Å; L108-M124 PolarHBondContact N-O 2.96Å; L108-M124 PolarHBondContact O-N 2.82Å; L108-I126 HydrophobicContact CB-CG2 3.78Å
109T95.5Very high91.9Very high14 Ų1450.8 Ų50.89%0.08628%0.276CS..EExtended strand (participates in β ladder)trans-97122.9177.8-61.70000110.1M99 F100 Q111 T121 Y122 N123M99-T109 WeakPolarHBondContact CA-O 3.37Å; F100-T109 HydrophobicContact CE1-CG2 3.85Å; F100-T109 HydrophobicContact CE2-CG2 3.93Å; F100-T109 HydrophobicContact CZ-CG2 3.44Å; F100-T109 VanDerWaalsContact CZ-CG2 3.44Å; F100-T109 PolarHBondContact N-O 2.93Å; F100-T109 PolarHBondContact O-N 3.47Å; T109-Q111 HydrophobicContact CG2-CG 4.09Å; T109-T121 HydrophobicContact CG2-CG2 3.69Å; T109-Y122 CarbonylContact C-O 3.58Å; T109-Y122 WeakPolarHBondContact CA-O 3.46Å; T109-N123 WeakPolarHBondContact CB-OD1 3.44Å; T109-N123 WeakPolarHBondContact CG2-OD1 3.37Å; T109-N123 PolarHBondContact OG1-OD1 2.81Å
110I95.9Very high91.8Very high0 Ų053.9 Ų53.90%029%0.289CS..EExtended strand (participates in β ladder)trans-109.5124.4174.8-47.4-57.2000108.5V83 F84 M99 L108 Y112 T121 Y122 M124V83-I110 HydrophobicContact CG1-CB 3.88Å; V83-I110 HydrophobicContact CG1-CG1 3.68Å; V83-I110 HydrophobicContact CG1-CG2 4.2Å; F84-I110 HydrophobicContact CE1-CD1 4.19Å; F84-I110 HydrophobicContact CE1-CG1 4.34Å; F84-I110 HydrophobicContact CE1-CG2 4.23Å; F84-I110 HydrophobicContact CZ-CD1 3.72Å; F84-I110 HydrophobicContact CZ-CG1 4.01Å; M99-I110 HydrophobicContact CB-CD1 3.77Å; M99-I110 HydrophobicContact CG-CD1 3.39Å; M99-I110 HydrophobicContact SD-CD1 3.45Å; M99-I110 WeakPolarHBondContact SD-CD1 3.25Å; L108-I110 HydrophobicContact CD2-CD1 4.1Å; L108-I110 HydrophobicContact CG-CD1 3.98Å; I110-Y112 HydrophobicContact CG2-CD2 4.28Å; I110-Y112 HydrophobicContact CG2-CE2 3.79Å; I110-T121 CarbonylContact O-C 3.53Å; I110-T121 WeakPolarHBondContact O-CA 3.12Å; I110-Y122 PolarHBondContact N-O 3.31Å; I110-Y122 PolarHBondContact O-N 2.79Å; I110-M124 HydrophobicContact CD1-CE 4.16Å; I110-M124 HydrophobicContact CG1-CE 3.67Å
111Q96.5Very high91.9Very high40 Ų4052.5 Ų52.519%0.18729%0.286CS..EExtended strand (participates in β ladder)trans-121.1113.1177.8-67.1-171.7-43.300111C97 K98 F100 T109 F113 V119 K120 T121C97-Q111 CarbonylContact C-O 3.59Å; C97-Q111 VanDerWaalsContact CA-O 3.32Å; C97-Q111 WeakPolarHBondContact CA-O 2.94Å; K98-Q111 HydrophobicContact CB-CB 4.42Å; K98-Q111 PolarHBondContact N-O 2.84Å; K98-Q111 PolarHBondContact O-N 2.82Å; F100-Q111 HydrophobicContact CE1-CG 4.17Å; T109-Q111 HydrophobicContact CG2-CG 4.09Å; Q111-F113 HydrophobicContact CB-CD2 4.23Å; Q111-F113 HydrophobicContact CB-CE2 3.5Å; Q111-F113 HydrophobicContact CB-CZ 4.2Å; Q111-F113 HydrophobicContact CG-CE2 4.49Å; Q111-V119 HydrophobicContact CB-CG1 4.28Å; Q111-K120 WeakPolarHBondContact CA-O 3.35Å; Q111-T121 HydrophobicContact CG-CG2 4.06Å; Q111-T121 PolarHBondContact NE2-OG1 3.24Å
112Y96.5Very high92Very high0 Ų054.6 Ų54.60%029%0.293CS..EExtended strand (participates in β ladder)trans-90.9107.9170.6-58.8-86.9000109.6L10 V83 L86 V94 C97 I110 K120 Y122L10-Y112 HydrophobicContact CD1-CE1 4.19Å; L10-Y112 HydrophobicContact CD2-CD1 4.05Å; L10-Y112 HydrophobicContact CD2-CE1 4.05Å; V83-Y112 PolarHBondContact O-OH 2.73Å; L86-Y112 HydrophobicContact CD2-CE1 4.05Å; V94-Y112 HydrophobicContact CG2-CD1 4.17Å; C97-Y112 HydrophobicContact CB-CD1 4.33Å; I110-Y112 HydrophobicContact CG2-CD2 4.28Å; I110-Y112 HydrophobicContact CG2-CE2 3.79Å; Y112-K120 PolarHBondContact N-O 3.11Å; Y112-K120 PolarHBondContact O-N 3.12Å; Y112-Y122 AromaticContact CD2-CD2 3.81Å; Y112-Y122 HydrophobicContact CD2-CD2 3.81Å; Y112-Y122 AromaticContact CD2-CE2 3.64Å; Y112-Y122 HydrophobicContact CD2-CE2 3.64Å; Y112-Y122 AromaticContact CE2-CD2 3.76Å; Y112-Y122 HydrophobicContact CE2-CD2 3.76Å; Y112-Y122 AromaticContact CE2-CE2 3.71Å; Y112-Y122 HydrophobicContact CE2-CE2 3.71Å
113F96.7Very high92.4Very high28 Ų2857.6 Ų57.612%0.12331%0.307CS..EExtended strand (participates in β ladder)trans-81.9118172.7-67.7-101.1000107.8L95 K96 K98 Q111 V119L95-F113 PolarHBondContact N-O 2.88Å; K96-F113 HydrophobicContact CB-CB 4.21Å; K96-F113 PolarHBondContact N-O 2.86Å; K96-F113 PolarHBondContact O-N 2.88Å; K98-F113 HydrophobicContact CB-CE2 4.05Å; K98-F113 HydrophobicContact CD-CD2 4.15Å; K98-F113 HydrophobicContact CD-CE2 3.31Å; K98-F113 HydrophobicContact CD-CZ 3.63Å; K98-F113 HydrophobicContact CG-CD2 4.01Å; K98-F113 HydrophobicContact CG-CE2 3.52Å; K98-F113 HydrophobicContact CG-CZ 4.34Å; Q111-F113 HydrophobicContact CB-CD2 4.23Å; Q111-F113 HydrophobicContact CB-CE2 3.5Å; Q111-F113 HydrophobicContact CB-CZ 4.2Å; Q111-F113 HydrophobicContact CG-CE2 4.49Å; F113-V119 HydrophobicContact CD1-CG1 4.47Å; F113-V119 HydrophobicContact CD1-CG2 3.69Å; F113-V119 HydrophobicContact CE1-CG1 4.17Å; F113-V119 HydrophobicContact CE1-CG2 3.67Å; F113-V119 HydrophobicContact CE2-CG1 4.36Å; F113-V119 HydrophobicContact CG-CG2 4.44Å; F113-V119 HydrophobicContact CZ-CG1 4.06Å; F113-V119 HydrophobicContact CZ-CG2 4.39Å
114C94.6Very high93.2Very high8 Ų851.5 Ų51.55%0.05426%0.264CS..EExtended strand (participates in β ladder)trans-113.3166.5-177.5-56.70000111.8S93 I118S93-C114 CarbonylContact O-C 3.56Å; S93-C114 WeakPolarHBondContact O-CA 3.2Å; S93-C114 WeakPolarHBondContact O-CB 3.37Å; C114-I118 WeakPolarHBondContact CA-O 3.43Å; C114-I118 HydrophobicContact CB-CB 4.22Å; C114-I118 WeakPolarHBondContact CB-O 3.5Å; C114-I118 PolarHBondContact N-O 2.87Å
115K94.5Very high93.9Very high97 Ų9748.5 Ų48.542%0.42226%0.26SS..G310 helixtrans-50149.8169.5-68.7167.2-175.8165.70111.4R92 S93 L95R92-K115 PolarHBondContact O-NZ 3.03Å; S93-K115 PolarHBondContact O-N 2.88Å; L95-K115 HydrophobicContact CD1-CG 4.1Å; L95-K115 HydrophobicContact CD2-CG 3.82Å; L95-K115 HydrophobicContact CG-CG 4.03Å
116F93.6Very high94.5Very high195 Ų19546.3 Ų46.386%0.85525%0.248SC*.G310 helixtrans64.332-178.8-38.6-72.3000114.5I118F116-I118 PolarHBondContact O-N 3.45Å
117G92.3Very high94.8Very high46 Ų4646.9 Ų46.947%0.47425%0.248SC..G310 helixtrans71.37176.900000115.1V119G117-V119 PolarHBondContact O-N 3.05Å
118I94.9Very high94.7Very high59 Ų5951.3 Ų51.330%0.30327%0.27SS..  trans-77.6108.3-174.7-59.2174.4000109.9C114 F116 K120 L437C114-I118 WeakPolarHBondContact CA-O 3.43Å; C114-I118 HydrophobicContact CB-CB 4.22Å; C114-I118 WeakPolarHBondContact CB-O 3.5Å; C114-I118 PolarHBondContact N-O 2.87Å; F116-I118 PolarHBondContact O-N 3.45Å; I118-K120 HydrophobicContact CG2-CG 4.42Å; I118-L437 HydrophobicContact CB-CD2 4.32Å; I118-L437 HydrophobicContact CG1-CD2 4.04Å; I118-L437 HydrophobicContact CG2-CD2 4.03Å
119V96.2Very high94.5Very high10 Ų1052.6 Ų52.66%0.06128%0.279CS..EExtended strand (participates in β ladder)trans-94.8129.3170.3-172.20000110.1Q111 F113 G117Q111-V119 HydrophobicContact CB-CG1 4.28Å; F113-V119 HydrophobicContact CD1-CG1 4.47Å; F113-V119 HydrophobicContact CD1-CG2 3.69Å; F113-V119 HydrophobicContact CE1-CG1 4.17Å; F113-V119 HydrophobicContact CE1-CG2 3.67Å; F113-V119 HydrophobicContact CE2-CG1 4.36Å; F113-V119 HydrophobicContact CG-CG2 4.44Å; F113-V119 HydrophobicContact CZ-CG1 4.06Å; F113-V119 HydrophobicContact CZ-CG2 4.39Å; G117-V119 PolarHBondContact O-N 3.05Å
120K94.3Very high94.2Very high66 Ų6658.8 Ų58.829%0.28731%0.307SS..EExtended strand (participates in β ladder)trans-110.3109170.7-66.4-174176.7-176.40110.2L90 Q111 Y112 I118 Y122L90-K120 HydrophobicContact CD1-CD 4.47Å; Q111-K120 WeakPolarHBondContact CA-O 3.35Å; Y112-K120 PolarHBondContact N-O 3.11Å; Y112-K120 PolarHBondContact O-N 3.12Å; I118-K120 HydrophobicContact CG2-CG 4.42Å; K120-Y122 HydrophobicContact CB-CE2 3.91Å
121T95.5Very high93.8Very high30 Ų3063 Ų6318%0.18433%0.326CS..EExtended strand (participates in β ladder)trans-97.1132.7179-56.70000110.4T109 I110 Q111T109-T121 HydrophobicContact CG2-CG2 3.69Å; I110-T121 CarbonylContact O-C 3.53Å; I110-T121 WeakPolarHBondContact O-CA 3.12Å; Q111-T121 HydrophobicContact CG-CG2 4.06Å; Q111-T121 PolarHBondContact NE2-OG1 3.24Å
122Y95.2Very high93.5Very high58 Ų5862.1 Ų62.123%0.22732%0.323CS..EExtended strand (participates in β ladder)trans-127.3132.9174.1-63.7-95.4000109V83 T109 I110 Y112 K120V83-Y122 HydrophobicContact CB-CG 4.49Å; V83-Y122 HydrophobicContact CG1-CD1 4.35Å; V83-Y122 HydrophobicContact CG1-CD2 4.25Å; V83-Y122 HydrophobicContact CG1-CG 3.83Å; V83-Y122 HydrophobicContact CG2-CD1 4.01Å; V83-Y122 HydrophobicContact CG2-CG 4.18Å; T109-Y122 CarbonylContact C-O 3.58Å; T109-Y122 WeakPolarHBondContact CA-O 3.46Å; I110-Y122 PolarHBondContact N-O 3.31Å; I110-Y122 PolarHBondContact O-N 2.79Å; Y112-Y122 AromaticContact CD2-CD2 3.81Å; Y112-Y122 HydrophobicContact CD2-CD2 3.81Å; Y112-Y122 AromaticContact CD2-CE2 3.64Å; Y112-Y122 HydrophobicContact CD2-CE2 3.64Å; Y112-Y122 AromaticContact CE2-CD2 3.76Å; Y112-Y122 HydrophobicContact CE2-CD2 3.76Å; Y112-Y122 AromaticContact CE2-CE2 3.71Å; Y112-Y122 HydrophobicContact CE2-CE2 3.71Å; K120-Y122 HydrophobicContact CB-CE2 3.91Å
123N94.3Very high93.1Very high92 Ų9265.8 Ų65.849%0.49234%0.34SS..EExtended strand (participates in β ladder)trans-113.9124.9178.1-67.8-37.9000109.2V107 T109V107-N123 HydrophobicContact CG1-CB 3.77Å; T109-N123 WeakPolarHBondContact CB-OD1 3.44Å; T109-N123 WeakPolarHBondContact CG2-OD1 3.37Å; T109-N123 PolarHBondContact OG1-OD1 2.81Å
124M94.1Very high92.7Very high9 Ų965.1 Ų65.14%0.04434%0.34CS..EExtended strand (participates in β ladder)trans-115.4124173.1-67.7178.4-74.200109.3I75 V83 F84 V107 L108 I110 I126I75-M124 HydrophobicContact CD1-CB 4.37Å; I75-M124 HydrophobicContact CD1-CE 4.3Å; I75-M124 HydrophobicContact CD1-SD 4.43Å; I75-M124 HydrophobicContact CG2-SD 4.12Å; V83-M124 HydrophobicContact CB-CE 4.08Å; V83-M124 HydrophobicContact CB-SD 3.9Å; V83-M124 HydrophobicContact CG1-CE 4Å; V83-M124 HydrophobicContact CG1-SD 4.46Å; V83-M124 HydrophobicContact CG2-CE 4.24Å; V83-M124 HydrophobicContact CG2-CG 3.77Å; V83-M124 HydrophobicContact CG2-SD 3.66Å; F84-M124 HydrophobicContact CE2-CE 3.92Å; F84-M124 HydrophobicContact CZ-CE 4.33Å; V107-M124 CarbonylContact C-O 3.55Å; V107-M124 WeakPolarHBondContact CA-O 3.33Å; L108-M124 HydrophobicContact CD2-CE 4.05Å; L108-M124 PolarHBondContact N-O 2.96Å; L108-M124 PolarHBondContact O-N 2.82Å; I110-M124 HydrophobicContact CD1-CE 4.16Å; I110-M124 HydrophobicContact CG1-CE 3.67Å; M124-I126 PolarHBondContact O-N 3.18Å
125S93.8Very high92.4Very high95 Ų9570.8 Ų70.866%0.66437%0.374SS*.EExtended strand (participates in β ladder)trans-61134.3164.9-47.10000109.2
126I94.3Very high92.1Very high21 Ų2169 Ų6911%0.10837%0.365CS..  trans-97168.7174.182-176.9000110.2F73 I75 L101 D105 T106 L108 M124F73-I126 HydrophobicContact CB-CB 4.07Å; F73-I126 HydrophobicContact CB-CD1 3.51Å; F73-I126 HydrophobicContact CB-CG1 3.99Å; F73-I126 HydrophobicContact CD1-CD1 4.03Å; F73-I126 HydrophobicContact CD2-CB 3.92Å; F73-I126 HydrophobicContact CD2-CD1 4.19Å; F73-I126 HydrophobicContact CD2-CG2 3.86Å; F73-I126 HydrophobicContact CE2-CG2 4.18Å; F73-I126 HydrophobicContact CG-CB 4.19Å; F73-I126 HydrophobicContact CG-CD1 3.67Å; F73-I126 HydrophobicContact CG-CG1 4.38Å; F73-I126 HydrophobicContact CG-CG2 4.38Å; I75-I126 HydrophobicContact CD1-CG2 4.11Å; I75-I126 HydrophobicContact CG1-CB 4.44Å; I75-I126 HydrophobicContact CG1-CG2 4.23Å; L101-I126 HydrophobicContact CD1-CD1 3.85Å; L101-I126 HydrophobicContact CD1-CG2 3.92Å; L101-I126 HydrophobicContact CD2-CD1 3.85Å; L101-I126 HydrophobicContact CG-CD1 4.33Å; D105-I126 WeakPolarHBondContact O-CD1 3.34Å; T106-I126 PolarHBondContact O-N 3.47Å; T106-I126 VanDerWaalsContact O-N 3.11Å; L108-I126 HydrophobicContact CB-CG2 3.78Å; M124-I126 PolarHBondContact O-N 3.18Å
127I93.8Very high91.8Very high79 Ų7961.2 Ų61.241%0.40534%0.335SS..EExtended strand (participates in β ladder)trans-125.9126170.9-52.2171.9000107F73 K74F73-I127 CarbonylContact C-O 3.59Å; F73-I127 WeakPolarHBondContact CA-O 3.35Å; K74-I127 HydrophobicContact CG-CB 3.92Å; K74-I127 HydrophobicContact CG-CG2 4.41Å; K74-I127 PolarHBondContact N-O 2.92Å; K74-I127 PolarHBondContact O-N 2.9Å
128D91.6Very high91.6Very high130 Ų13061 Ų6170%0.69532%0.323SS*.EExtended strand (participates in β ladder)trans-61.6146.1175.4-63-46000111.1
129C90.4Very high91.2Very high28 Ų2867.4 Ų67.419%0.18935%0.351CS..  trans-149.8152-178.271.60000114.7Y28 K74Y28-C129 HydrophobicContact CD1-CB 4.32Å; Y28-C129 HydrophobicContact CE1-CB 4.29Å; K74-C129 HydrophobicContact CB-CB 4.4Å; K74-C129 HydrophobicContact CD-CB 4.06Å; K74-C129 HydrophobicContact CG-CB 4.08Å
130E88.8Confident90.6Very high144 Ų14473 Ų7367%0.67338%0.377SS*.  trans-63.7171167.1-68.4165.4-159.500112.1L132E130-L132 PolarHBondContact O-N 3.45Å
131Q87.4Confident90.2Very high87 Ų8770.9 Ų70.941%0.40737%0.37SS..  trans-71.1126176178.9161.2-6.500111.4E133Q131-E133 HydrophobicContact CG-CG 3.95Å; Q131-E133 PolarHBondContact NE2-OE1 3.27Å
132L90Very high89.9Confident23 Ų2370.7 Ų70.712%0.1237%0.372CS..  trans-98.7115.1171.9-179.467.9000109.4Y28 K39 V41 F48 E130 F384Y28-L132 HydrophobicContact CD1-CB 4.16Å; Y28-L132 HydrophobicContact CD1-CD2 4.21Å; Y28-L132 HydrophobicContact CD2-CD2 3.68Å; Y28-L132 HydrophobicContact CE1-CB 4.43Å; Y28-L132 HydrophobicContact CE1-CD2 4.37Å; Y28-L132 HydrophobicContact CE2-CD2 3.87Å; Y28-L132 HydrophobicContact CG-CB 4.48Å; Y28-L132 HydrophobicContact CG-CD2 3.87Å; K39-L132 HydrophobicContact CB-CD2 4.18Å; K39-L132 WeakPolarHBondContact CD-O 3.5Å; K39-L132 WeakPolarHBondContact CE-O 3.22Å; K39-L132 PolarHBondContact NZ-O 3.4Å; V41-L132 HydrophobicContact CB-CD1 4.44Å; V41-L132 HydrophobicContact CB-CD2 4.27Å; V41-L132 HydrophobicContact CG1-CD1 4.13Å; V41-L132 HydrophobicContact CG1-CD2 4.09Å; F48-L132 HydrophobicContact CD2-CD2 4.3Å; F48-L132 HydrophobicContact CD2-CG 4.34Å; F48-L132 HydrophobicContact CE2-CD2 4.09Å; F48-L132 HydrophobicContact CE2-CG 3.98Å; E130-L132 PolarHBondContact O-N 3.45Å; L132-F384 HydrophobicContact CD1-CE1 4.47Å
133E89.2Confident89.8Confident76 Ų7668 Ų6836%0.35536%0.361SS..  trans-133.2157.5167.8-65.2-65.2178.100110.4K39 Q131 F384K39-E133 IonicContact NZ-OE1 2.7Å; K39-E133 PolarHBondContact NZ-OE1 2.97Å; K39-E133 IonicContact NZ-OE2 3.62Å; K39-E133 PolarHBondContact NZ-OE2 3.27Å; K39-E133 VanDerWaalsContact NZ-OE2 3.17Å; Q131-E133 HydrophobicContact CG-CG 3.95Å; Q131-E133 PolarHBondContact NE2-OE1 3.27Å; E133-F384 VanDerWaalsContact O-CD1 3.27Å; E133-F384 WeakPolarHBondContact O-CD1 3.44Å; E133-F384 VanDerWaalsContact O-CE1 3.26Å; E133-F384 WeakPolarHBondContact O-CE1 3.35Å
134A87.8Confident89.8Confident14 Ų1465 Ų6512%0.11634%0.344CS..  trans-109.4141.4164.100000109.2F48 Y136 F384F48-A134 HydrophobicContact CB-CB 4.09Å; F48-A134 HydrophobicContact CD1-CB 3.54Å; F48-A134 HydrophobicContact CD2-CB 4.38Å; F48-A134 HydrophobicContact CE1-CB 3.99Å; F48-A134 HydrophobicContact CG-CB 3.76Å; A134-Y136 HydrophobicContact CB-CD1 3.94Å; A134-Y136 HydrophobicContact CB-CE1 4.12Å; A134-Y136 WeakPolarHBondContact O-CD1 3.5Å; A134-Y136 WeakPolarHBondContact O-CE1 3.47Å; A134-F384 HydrophobicContact CB-CE1 3.89Å; A134-F384 HydrophobicContact CB-CZ 3.94Å
135V87.9Confident90Very high127 Ų12764.7 Ų64.777%0.7734%0.343SS*.  trans-89.1110.1178.2-177.80000109.4
136Y87.9Confident90.1Very high59 Ų5960.4 Ų60.423%0.23131%0.313CS..  trans-153.3156.1177.460.7-85.1000110.6F48 A134 I244 R256 V258F48-Y136 HydrophobicContact CE1-CE1 4.35Å; A134-Y136 HydrophobicContact CB-CD1 3.94Å; A134-Y136 HydrophobicContact CB-CE1 4.12Å; A134-Y136 WeakPolarHBondContact O-CD1 3.5Å; A134-Y136 WeakPolarHBondContact O-CE1 3.47Å; Y136-I244 HydrophobicContact CD2-CD1 3.76Å; Y136-I244 HydrophobicContact CG-CD1 4.18Å; Y136-R256 WeakPolarHBondContact OH-CD 3.36Å; Y136-V258 HydrophobicContact CD1-CG1 4.41Å; Y136-V258 HydrophobicContact CD1-CG2 3.75Å; Y136-V258 HydrophobicContact CD2-CG2 4.38Å; Y136-V258 HydrophobicContact CE1-CG2 3.73Å; Y136-V258 HydrophobicContact CE2-CG2 4.34Å; Y136-V258 HydrophobicContact CG-CG2 4.1Å
137S87.4Confident90.3Very high32 Ų3259.4 Ų59.422%0.22431%0.308CS..  trans-128.3128.5174.8175.40000110E139 E140 S141S137-E139 VanDerWaalsContact C-N 3.32Å; S137-E139 PolarHBondContact OG-N 3.44Å; S137-E140 VanDerWaalsContact CB-CD 3.47Å; S137-E140 WeakPolarHBondContact CB-OE1 3.34Å; S137-E140 PolarHBondContact OG-N 2.92Å; S137-E140 PolarHBondContact OG-OE1 2.86Å; S137-S141 PolarHBondContact O-OG 3.49Å; S137-S141 VanDerWaalsContact O-OG 3.12Å
138L89.2Confident90.4Very high42 Ų4257.7 Ų57.722%0.2230%0.302CS..SBendtrans-76.5-24.4174.4-60.7176.5000111.6Y235 I244L138-Y235 HydrophobicContact CB-CD1 4.22Å; L138-Y235 HydrophobicContact CB-CE1 4.09Å; L138-Y235 HydrophobicContact CD2-CD1 4.14Å; L138-Y235 HydrophobicContact CD2-CD2 3.79Å; L138-Y235 HydrophobicContact CD2-CE1 4.35Å; L138-Y235 HydrophobicContact CD2-CE2 4.01Å; L138-Y235 HydrophobicContact CD2-CG 3.88Å; L138-I244 HydrophobicContact CD2-CB 4.34Å; L138-I244 HydrophobicContact CD2-CD1 3.91Å; L138-I244 HydrophobicContact CD2-CG2 3.86Å
139E85.7Confident90.7Very high193 Ų19351.6 Ų51.690%0.90227%0.27SS*.SBendtrans-83.8-27.1-176.5-64.4172.3-16700111.8S137 S141S137-E139 VanDerWaalsContact C-N 3.32Å; S137-E139 PolarHBondContact OG-N 3.44Å; E139-S141 VanDerWaalsContact C-N 3.28Å
140E84.2Confident90.9Very high128 Ų12858.7 Ų58.760%0.59829%0.293SS*.SBendtrans-79.5-4.8171.4-68.6168.5-134.300113.8S137 A142 K241S137-E140 VanDerWaalsContact CB-CD 3.47Å; S137-E140 WeakPolarHBondContact CB-OE1 3.34Å; S137-E140 PolarHBondContact OG-N 2.92Å; S137-E140 PolarHBondContact OG-OE1 2.86Å; E140-A142 PolarHBondContact O-N 3.09Å; E140-K241 IonicContact OE2-NZ 2.7Å
141S86.9Confident91.2Very high22 Ų2253.5 Ų53.515%0.15427%0.27CS..  trans-78.8114.2-175-65.50000110.9S137 E139 N143S137-S141 PolarHBondContact O-OG 3.49Å; S137-S141 VanDerWaalsContact O-OG 3.12Å; E139-S141 VanDerWaalsContact C-N 3.28Å; S141-N143 VanDerWaalsContact C-N 3.3Å; S141-N143 PolarHBondContact O-N 3.16Å
142A87.6Confident91.7Very high26 Ų2649.3 Ų49.322%0.21525%0.25CS..SBendtrans-60.8-34.9-174.800000113.7E140 H206 C236 D237E140-A142 PolarHBondContact O-N 3.09Å; A142-H206 PolarHBondContact O-ND1 3.22Å; A142-C236 PolarHBondContact N-O 2.94Å; A142-D237 HydrophobicContact CB-CB 4.45Å
143N93.9Very high91.9Very high0 Ų048.5 Ų48.50%025%0.247CC..EExtended strand (participates in β ladder)trans-121.4134.5-175.7-63.5-30.8000110.6S141 L170 R204 V205 H206 S207 Y235 C236S141-N143 VanDerWaalsContact C-N 3.3Å; S141-N143 PolarHBondContact O-N 3.16Å; N143-L170 HydrophobicContact CB-CD1 3.91Å; N143-R204 CarbonylContact C-O 3.54Å; N143-R204 WeakPolarHBondContact CA-O 3.43Å; N143-V205 VanDerWaalsContact OD1-CA 3.28Å; N143-V205 WeakPolarHBondContact OD1-CA 3.35Å; N143-H206 PolarHBondContact OD1-N 2.65Å; N143-S207 PolarHBondContact ND2-O 3.43Å; N143-S207 PolarHBondContact OD1-N 2.87Å; N143-S207 PolarHBondContact OD1-O 3.03Å; N143-Y235 WeakPolarHBondContact O-CA 3.36Å; N143-C236 PolarHBondContact N-O 2.92Å; N143-C236 PolarHBondContact O-N 3.24Å
144H95Very high92.2Very high31 Ų3149 Ų4914%0.14425%0.249CC..EExtended strand (participates in β ladder)trans-136.9120.2-178.9168.7-98.7000111.4V146 R204 I234 Y235H144-V146 VanDerWaalsContact CE1-CG2 3.47Å; H144-V146 WeakPolarHBondContact CE1-CG2 3.33Å; H144-R204 PolarHBondContact N-O 3.32Å; H144-R204 WeakPolarHBondContact O-CB 3.44Å; H144-R204 PolarHBondContact O-N 3.11Å; H144-I234 WeakPolarHBondContact CA-O 3.49Å; H144-Y235 HydrophobicContact CB-CD1 4.37Å; H144-Y235 AromaticContact CD2-CD1 3.65Å; H144-Y235 AromaticContact CD2-CE1 3.26Å; H144-Y235 WeakPolarHBondContact CD2-CE1 3.47Å; H144-Y235 AromaticContact CD2-CE2 3.99Å; H144-Y235 AromaticContact CD2-CZ 3.44Å; H144-Y235 VanDerWaalsContact CD2-CZ 3.44Å; H144-Y235 AromaticContact NE2-CE1 3.96Å; H144-Y235 AromaticContact NE2-CZ 3.74Å
145L96.9Very high92.6Very high1 Ų148.6 Ų48.61%0.00525%0.245CC..EExtended strand (participates in β ladder)trans-118.4148.2-179.9-42.3176.5000109.9L170 F200 V202 Y203 V205 R233 I234L145-L170 HydrophobicContact CD1-CD1 4.27Å; L145-L170 HydrophobicContact CD1-CD2 3.72Å; L145-F200 HydrophobicContact CB-CD1 4.06Å; L145-F200 HydrophobicContact CB-CE1 4.18Å; L145-F200 HydrophobicContact CD1-CE1 4.1Å; L145-V202 CarbonylContact C-O 3.58Å; L145-V202 WeakPolarHBondContact CA-O 3.28Å; L145-Y203 HydrophobicContact CD2-CD2 3.67Å; L145-Y203 HydrophobicContact CD2-CE2 3.63Å; L145-Y203 HydrophobicContact CD2-CG 4.33Å; L145-V205 HydrophobicContact CD2-CG2 4Å; L145-R233 CarbonylContact O-C 3.58Å; L145-R233 WeakPolarHBondContact O-CA 3.47Å; L145-I234 HydrophobicContact CB-CB 4.23Å; L145-I234 PolarHBondContact N-O 3.14Å; L145-I234 PolarHBondContact O-N 3.22Å
146V97.4Very high92.9Very high6 Ų642.7 Ų42.74%0.03621%0.209CC..EExtended strand (participates in β ladder)trans-127.4118.6165.8-175.30000107.9H144 F200 D201 V202 M231 I232 R233H144-V146 VanDerWaalsContact CE1-CG2 3.47Å; H144-V146 WeakPolarHBondContact CE1-CG2 3.33Å; V146-F200 CarbonylContact O-C 3.6Å; V146-F200 WeakPolarHBondContact O-CA 3.45Å; V146-F200 WeakPolarHBondContact O-CB 3.33Å; V146-D201 HydrophobicContact CB-CB 4.14Å; V146-D201 HydrophobicContact CG1-CB 3.95Å; V146-D201 PolarHBondContact O-N 2.96Å; V146-V202 HydrophobicContact CB-CB 3.95Å; V146-V202 HydrophobicContact CB-CG2 4.19Å; V146-V202 HydrophobicContact CG2-CB 3.81Å; V146-V202 HydrophobicContact CG2-CG2 3.95Å; V146-V202 PolarHBondContact N-O 2.89Å; V146-V202 PolarHBondContact O-N 3.19Å; V146-M231 HydrophobicContact CG1-CB 3.92Å; V146-M231 HydrophobicContact CG1-CG 4.25Å; V146-M231 HydrophobicContact CG1-SD 4.35Å; V146-I232 WeakPolarHBondContact CA-O 3.43Å; V146-R233 HydrophobicContact CG2-CB 4.48Å; V146-R233 HydrophobicContact CG2-CG 4.01Å
147I97.7Very high93.1Very high0 Ų045.5 Ų45.50%023%0.228CC..EExtended strand (participates in β ladder)trans-122.8147.3-178.6-167.6171.8000109.1A149 L151 L152 I155 F200 M231 I232 I234I147-A149 PolarHBondContact O-N 2.73Å; I147-L151 HydrophobicContact CD1-CB 4.46Å; I147-L151 HydrophobicContact CD1-CD2 4.07Å; I147-L151 HydrophobicContact CD1-CG 4.09Å; I147-L151 HydrophobicContact CG1-CB 4.26Å; I147-L151 HydrophobicContact CG1-CD2 4.02Å; I147-L151 HydrophobicContact CG1-CG 4.27Å; I147-L152 HydrophobicContact CD1-CB 4.26Å; I147-L152 HydrophobicContact CG2-CB 4.04Å; I147-L152 HydrophobicContact CG2-CD2 4.04Å; I147-I155 HydrophobicContact CD1-CD1 3.87Å; I147-F200 HydrophobicContact CB-CD1 3.76Å; I147-F200 HydrophobicContact CB-CE1 3.89Å; I147-F200 HydrophobicContact CD1-CD1 4.36Å; I147-F200 HydrophobicContact CD1-CE1 3.81Å; I147-F200 HydrophobicContact CD1-CZ 4.15Å; I147-F200 HydrophobicContact CG1-CD1 4.15Å; I147-F200 HydrophobicContact CG1-CE1 4.1Å; I147-M231 WeakPolarHBondContact O-CA 3.36Å; I147-I232 HydrophobicContact CG2-CB 4.37Å; I147-I232 PolarHBondContact N-O 3.33Å; I147-I232 PolarHBondContact O-N 3.34Å; I147-I234 HydrophobicContact CG2-CD1 4.12Å
148S96.7Very high93.4Very high42 Ų4249.5 Ų49.529%0.29425%0.247SC..EExtended strand (participates in β ladder)trans-63.4138.9172.679.60000110.6R150 L151 L152 P230S148-R150 PolarHBondContact O-N 2.83Å; S148-L151 PolarHBondContact O-N 3.26Å; S148-L151 VanDerWaalsContact O-N 3.16Å; S148-L151 WeakPolarHBondContact OG-CB 3.42Å; S148-L151 PolarHBondContact OG-N 3.12Å; S148-L151 VanDerWaalsContact OG-N 3.14Å; S148-L152 PolarHBondContact O-N 2.67Å; S148-L152 VanDerWaalsContact O-N 3.09Å; S148-P230 CarbonylContact C-O 3.55Å; S148-P230 VanDerWaalsContact CA-O 3.24Å; S148-P230 WeakPolarHBondContact CA-O 3.4Å
149A96Very high93.5Very high3 Ų347.7 Ų47.73%0.02524%0.238CC..Hα-helixtrans-57.4-38.4-179.700000111.2I147 L152 G153 E226 P230 I232I147-A149 PolarHBondContact O-N 2.73Å; A149-L152 PolarHBondContact O-N 2.9Å; A149-G153 PolarHBondContact O-N 3.12Å; A149-E226 HydrophobicContact CB-CG 4.07Å; A149-P230 PolarHBondContact N-O 3.33Å; A149-I232 HydrophobicContact CB-CD1 3.79Å; A149-I232 HydrophobicContact CB-CG1 3.79Å
150R95.2Very high93.7Very high177 Ų17746 Ų4667%0.66822%0.223SC*.Hα-helixtrans-62.3-48.8175.8179.4178.6169.3-169.9-10.7112.6S148 L152 G153 E154S148-R150 PolarHBondContact O-N 2.83Å; R150-L152 VanDerWaalsContact C-N 3.33Å; R150-L152 PolarHBondContact O-N 3.38Å; R150-G153 PolarHBondContact O-N 3.39Å; R150-E154 IonicContact CZ-OE1 3.8Å; R150-E154 IonicContact NE-OE1 3.67Å; R150-E154 PolarHBondContact NE-OE1 3.43Å; R150-E154 IonicContact NH2-OE1 2.9Å; R150-E154 PolarHBondContact NH2-OE1 3.08Å; R150-E154 WeakPolarHBondContact O-CG 3.41Å; R150-E154 PolarHBondContact O-N 3.46Å
151L96.1Very high93.7Very high34 Ų3447.9 Ų47.918%0.17823%0.232CC..Hα-helixtrans-63.1-42.1180179.359.3000110.6I147 S148 G153 E154 I155 V195 E199I147-L151 HydrophobicContact CD1-CB 4.46Å; I147-L151 HydrophobicContact CD1-CD2 4.07Å; I147-L151 HydrophobicContact CD1-CG 4.09Å; I147-L151 HydrophobicContact CG1-CB 4.26Å; I147-L151 HydrophobicContact CG1-CD2 4.02Å; I147-L151 HydrophobicContact CG1-CG 4.27Å; S148-L151 PolarHBondContact O-N 3.26Å; S148-L151 VanDerWaalsContact O-N 3.16Å; S148-L151 WeakPolarHBondContact OG-CB 3.42Å; S148-L151 PolarHBondContact OG-N 3.12Å; S148-L151 VanDerWaalsContact OG-N 3.14Å; L151-G153 VanDerWaalsContact C-N 3.33Å; L151-G153 PolarHBondContact O-N 2.98Å; L151-E154 PolarHBondContact O-N 3Å; L151-I155 HydrophobicContact CD1-CD1 4.17Å; L151-I155 HydrophobicContact CD1-CG1 4.37Å; L151-I155 HydrophobicContact CG-CD1 3.87Å; L151-I155 WeakPolarHBondContact O-CB 3.26Å; L151-I155 WeakPolarHBondContact O-CD1 3.2Å; L151-I155 VanDerWaalsContact O-CG1 3.25Å; L151-I155 WeakPolarHBondContact O-CG1 3.36Å; L151-I155 PolarHBondContact O-N 3.4Å; L151-V195 HydrophobicContact CD2-CG1 4.37Å; L151-E199 HydrophobicContact CD2-CB 3.93Å
152L96.4Very high93.6Very high0 Ų051 Ų510%025%0.254CS..Hα-helixtrans-64.1-37174.9-170.356.3000112.1I147 S148 A149 R150 I156 F177 L218 L222 I232 I234I147-L152 HydrophobicContact CD1-CB 4.26Å; I147-L152 HydrophobicContact CG2-CB 4.04Å; I147-L152 HydrophobicContact CG2-CD2 4.04Å; S148-L152 PolarHBondContact O-N 2.67Å; S148-L152 VanDerWaalsContact O-N 3.09Å; A149-L152 PolarHBondContact O-N 2.9Å; R150-L152 VanDerWaalsContact C-N 3.33Å; R150-L152 PolarHBondContact O-N 3.38Å; L152-I156 HydrophobicContact CD1-CG1 4.08Å; L152-I156 HydrophobicContact CG-CG1 4.38Å; L152-I156 VanDerWaalsContact O-CB 3.32Å; L152-I156 WeakPolarHBondContact O-CB 3.41Å; L152-I156 WeakPolarHBondContact O-CG1 3.29Å; L152-I156 PolarHBondContact O-N 3.02Å; L152-F177 HydrophobicContact CD1-CE1 3.66Å; L152-F177 HydrophobicContact CD1-CZ 3.83Å; L152-L218 HydrophobicContact CD2-CD1 4.46Å; L152-L222 HydrophobicContact CB-CD2 4.25Å; L152-L222 HydrophobicContact CD2-CD2 4.08Å; L152-L222 HydrophobicContact CG-CD1 4.49Å; L152-L222 HydrophobicContact CG-CD2 4.04Å; L152-I232 HydrophobicContact CD2-CD1 4.16Å; L152-I232 HydrophobicContact CD2-CG2 4.38Å; L152-I234 HydrophobicContact CD2-CD1 4.32Å
153G95.7Very high93.4Very high5 Ų550.8 Ų50.85%0.05225%0.25CS..Hα-helixtrans-61.2-47.2170.700000113A149 R150 L151 I156 N157A149-G153 PolarHBondContact O-N 3.12Å; R150-G153 PolarHBondContact O-N 3.39Å; L151-G153 VanDerWaalsContact C-N 3.33Å; L151-G153 PolarHBondContact O-N 2.98Å; G153-I156 PolarHBondContact O-N 3.09Å; G153-N157 WeakPolarHBondContact O-CB 3.34Å; G153-N157 PolarHBondContact O-N 2.88Å; G153-N157 PolarHBondContact O-ND2 3.48Å
154E95Very high93Very high86 Ų8654 Ų5440%0.40227%0.266SS..Hα-helixtrans-61.7-43.8177.4-72.8175.7-178.600111.7R150 L151 N157 N158R150-E154 IonicContact CZ-OE1 3.8Å; R150-E154 IonicContact NE-OE1 3.67Å; R150-E154 PolarHBondContact NE-OE1 3.43Å; R150-E154 IonicContact NH2-OE1 2.9Å; R150-E154 PolarHBondContact NH2-OE1 3.08Å; R150-E154 WeakPolarHBondContact O-CG 3.41Å; R150-E154 PolarHBondContact O-N 3.46Å; L151-E154 PolarHBondContact O-N 3Å; E154-N157 PolarHBondContact O-N 3.29Å; E154-N158 PolarHBondContact O-ND2 2.85Å
155I95.4Very high92.9Very high7 Ų752.7 Ų52.74%0.03626%0.26CS..Hα-helixtrans-58.1-53.2171.9-69.1158.2000110.8I147 L151 N157 N158 F159 F177 I193 V195I147-I155 HydrophobicContact CD1-CD1 3.87Å; L151-I155 HydrophobicContact CD1-CD1 4.17Å; L151-I155 HydrophobicContact CD1-CG1 4.37Å; L151-I155 HydrophobicContact CG-CD1 3.87Å; L151-I155 WeakPolarHBondContact O-CB 3.26Å; L151-I155 WeakPolarHBondContact O-CD1 3.2Å; L151-I155 VanDerWaalsContact O-CG1 3.25Å; L151-I155 WeakPolarHBondContact O-CG1 3.36Å; L151-I155 PolarHBondContact O-N 3.4Å; I155-N157 PolarHBondContact O-N 2.92Å; I155-N158 PolarHBondContact O-N 3.05Å; I155-N158 VanDerWaalsContact O-N 3.14Å; I155-F159 HydrophobicContact CG2-CE2 4Å; I155-F159 WeakPolarHBondContact O-CD2 3.32Å; I155-F177 HydrophobicContact CD1-CD2 4.32Å; I155-F177 HydrophobicContact CD1-CE2 3.93Å; I155-F177 HydrophobicContact CD1-CZ 4.41Å; I155-F177 HydrophobicContact CG2-CB 3.98Å; I155-F177 HydrophobicContact CG2-CD1 4.07Å; I155-F177 HydrophobicContact CG2-CD2 3.81Å; I155-F177 HydrophobicContact CG2-CE2 4.29Å; I155-F177 HydrophobicContact CG2-CG 3.69Å; I155-I193 HydrophobicContact CG1-CG2 4.39Å; I155-I193 HydrophobicContact CG2-CD1 4.3Å; I155-I193 HydrophobicContact CG2-CG2 4.43Å; I155-V195 HydrophobicContact CD1-CG2 3.63Å; I155-V195 HydrophobicContact CG1-CG2 4.19Å
156I94.3Very high92.8Very high2 Ų252.7 Ų52.71%0.0126%0.259CS..Hα-helixtrans-68-22.5-174.6-67-62.6000112.7L152 G153 F159 L166 L218 R219 L222L152-I156 HydrophobicContact CD1-CG1 4.08Å; L152-I156 HydrophobicContact CG-CG1 4.38Å; L152-I156 VanDerWaalsContact O-CB 3.32Å; L152-I156 WeakPolarHBondContact O-CB 3.41Å; L152-I156 WeakPolarHBondContact O-CG1 3.29Å; L152-I156 PolarHBondContact O-N 3.02Å; G153-I156 PolarHBondContact O-N 3.09Å; I156-F159 HydrophobicContact CD1-CD2 4.41Å; I156-L166 HydrophobicContact CD1-CD1 4.45Å; I156-L166 HydrophobicContact CD1-CD2 3.37Å; I156-L218 HydrophobicContact CD1-CD2 3.59Å; I156-L218 HydrophobicContact CD1-CG 4.45Å; I156-L218 HydrophobicContact CG1-CD2 3.95Å; I156-L218 HydrophobicContact CG1-CG 4.45Å; I156-R219 HydrophobicContact CG2-CG 3.62Å; I156-R219 VanDerWaalsContact O-CZ 3.22Å; I156-R219 PolarHBondContact O-NH1 2.82Å; I156-R219 PolarHBondContact O-NH2 3Å; I156-L222 HydrophobicContact CB-CD1 3.96Å; I156-L222 HydrophobicContact CG1-CD1 3.91Å; I156-L222 HydrophobicContact CG2-CD1 3.98Å
157N92.7Very high92.7Very high118 Ų11852.4 Ų52.463%0.63126%0.258SS*.Hα-helixtrans-73.9-20174.8-75.5-31.1000114.6G153 E154 I155G153-N157 WeakPolarHBondContact O-CB 3.34Å; G153-N157 PolarHBondContact O-N 2.88Å; G153-N157 PolarHBondContact O-ND2 3.48Å; E154-N157 PolarHBondContact O-N 3.29Å; I155-N157 PolarHBondContact O-N 2.92Å
158N93.1Very high92.6Very high116 Ų11652.5 Ų52.562%0.6226%0.258SS*.Hα-helixtrans-74.1-30.7176.3-80-87.2000112.9E154 I155 I193E154-N158 PolarHBondContact O-ND2 2.85Å; I155-N158 PolarHBondContact O-N 3.05Å; I155-N158 VanDerWaalsContact O-N 3.14Å; N158-I193 HydrophobicContact CB-CD1 3.45Å; N158-I193 VanDerWaalsContact CB-CD1 3.45Å
159F92Very high92.6Very high5 Ų552.7 Ų52.72%0.02226%0.256CS..SBendtrans-73.6151.2176.2-60.9-79.1000111.6I155 I156 L166 F177 N179 T191 I193 R219I155-F159 HydrophobicContact CG2-CE2 4Å; I155-F159 WeakPolarHBondContact O-CD2 3.32Å; I156-F159 HydrophobicContact CD1-CD2 4.41Å; F159-L166 HydrophobicContact CD1-CD1 4.12Å; F159-L166 HydrophobicContact CD2-CD1 3.91Å; F159-L166 HydrophobicContact CE1-CD1 3.97Å; F159-L166 HydrophobicContact CE2-CD1 3.75Å; F159-L166 HydrophobicContact CG-CD1 4.1Å; F159-L166 HydrophobicContact CZ-CD1 3.8Å; F159-F177 HydrophobicContact CE2-CB 3.96Å; F159-F177 HydrophobicContact CZ-CB 3.72Å; F159-F177 WeakPolarHBondContact CZ-O 3.18Å; F159-N179 HydrophobicContact CD1-CB 4.01Å; F159-N179 HydrophobicContact CE1-CB 4.42Å; F159-T191 HydrophobicContact CD1-CG2 4.07Å; F159-T191 HydrophobicContact CE1-CG2 3.92Å; F159-I193 HydrophobicContact CD2-CD1 4.19Å; F159-I193 HydrophobicContact CE1-CD1 4.36Å; F159-I193 HydrophobicContact CE1-CG1 4.49Å; F159-I193 HydrophobicContact CE2-CD1 3.5Å; F159-I193 VanDerWaalsContact CE2-CD1 3.5Å; F159-I193 HydrophobicContact CE2-CG1 4.23Å; F159-I193 HydrophobicContact CZ-CB 4.38Å; F159-I193 HydrophobicContact CZ-CD1 3.58Å; F159-I193 HydrophobicContact CZ-CG1 3.82Å; F159-R219 PolarHBondContact O-NH2 2.85Å
160R89Confident92.5Very high156 Ų15652.6 Ų52.659%0.58926%0.255SS*.  trans-62.2152.4176-65.9-179.2174.8-178.7-3.2111.6S162 Q215 R219R160-S162 VanDerWaalsContact C-N 3.33Å; R160-Q215 PolarHBondContact O-NE2 2.84Å; R160-R219 PolarHBondContact O-NH2 2.95Å; R160-R219 VanDerWaalsContact O-NH2 3.16Å
161Q85.4Confident92.5Very high168 Ų16846.6 Ų46.679%0.78524%0.236SC*.SBendtrans-75.6-22.9172.9-63.7-176.96.700112.9
162S84.4Confident92.1Very high88 Ų8849.7 Ų49.762%0.61526%0.26SS*.SBendtrans-76.5-25.3179.252.70000113.7R160 K216R160-S162 VanDerWaalsContact C-N 3.33Å; S162-K216 PolarHBondContact O-NZ 2.85Å
163S82.7Confident91.9Very high21 Ų2151.3 Ų51.315%0.14728%0.277CS..  trans-63.6136.3178-179.70000110.3E165 Q215 K216S163-E165 PolarHBondContact OG-O 2.86Å; S163-Q215 PolarHBondContact O-OE1 3.12Å; S163-Q215 PolarHBondContact OG-OE1 3.47Å; S163-K216 WeakPolarHBondContact O-CE 3.4Å
164E86Confident91.8Very high69 Ų6955.5 Ų55.532%0.32230%0.295SS..  trans-91.5-28.6-176.6-57.4-122.8109.500111.7Q215 K216E164-Q215 PolarHBondContact O-N 3.01Å; E164-K216 IonicContact OE1-NZ 3.69Å; E164-K216 PolarHBondContact OE1-NZ 3.25Å
165E91.9Very high91.9Very high3 Ų351.4 Ų51.41%0.01428%0.276CS..EExtended strand (participates in β ladder)trans-130135.5-159.4-58.3-53.9140.300112S163 H180 F182 T212 F213 F262 R377S163-E165 PolarHBondContact OG-O 2.86Å; E165-H180 HydrophobicContact CB-CB 3.67Å; E165-H180 PolarHBondContact O-N 3.07Å; E165-F182 HydrophobicContact CG-CE2 3.75Å; E165-F182 HydrophobicContact CG-CZ 4Å; E165-T212 HydrophobicContact CB-CG2 4.23Å; E165-F213 WeakPolarHBondContact CA-O 3.44Å; E165-F262 WeakPolarHBondContact OE2-CE2 3.4Å; E165-R377 IonicContact OE1-CZ 3.94Å; E165-R377 IonicContact OE1-NH1 3.77Å; E165-R377 IonicContact OE1-NH2 2.67Å; E165-R377 PolarHBondContact OE1-NH2 2.86Å; E165-R377 IonicContact OE2-CZ 3.41Å; E165-R377 IonicContact OE2-NH2 2.67Å; E165-R377 PolarHBondContact OE2-NH2 2.89Å
166L95Very high92Very high0 Ų051.8 Ų51.80%028%0.279CS..EExtended strand (participates in β ladder)trans-126.3124.7175.7-16978.8000109.5I156 F159 F177 Q178 T212 F213 Q215 L218I156-L166 HydrophobicContact CD1-CD1 4.45Å; I156-L166 HydrophobicContact CD1-CD2 3.37Å; F159-L166 HydrophobicContact CD1-CD1 4.12Å; F159-L166 HydrophobicContact CD2-CD1 3.91Å; F159-L166 HydrophobicContact CE1-CD1 3.97Å; F159-L166 HydrophobicContact CE2-CD1 3.75Å; F159-L166 HydrophobicContact CG-CD1 4.1Å; F159-L166 HydrophobicContact CZ-CD1 3.8Å; L166-F177 HydrophobicContact CD2-CD1 4.13Å; L166-Q178 CarbonylContact C-O 3.51Å; L166-Q178 WeakPolarHBondContact CA-O 3.42Å; L166-Q178 WeakPolarHBondContact CD1-O 3.49Å; L166-T212 CarbonylContact O-C 3.47Å; L166-T212 WeakPolarHBondContact O-CA 3.45Å; L166-F213 HydrophobicContact CB-CZ 4.48Å; L166-F213 HydrophobicContact CD2-CE2 4.42Å; L166-F213 HydrophobicContact CD2-CZ 3.94Å; L166-F213 PolarHBondContact N-O 2.71Å; L166-F213 WeakPolarHBondContact O-CD1 3.48Å; L166-F213 PolarHBondContact O-N 2.83Å; L166-Q215 HydrophobicContact CB-CB 3.98Å; L166-Q215 HydrophobicContact CB-CG 4.15Å; L166-L218 HydrophobicContact CD2-CD2 3.96Å
167T95.4Very high92.1Very high0 Ų051.7 Ų51.70%028%0.278CS..EExtended strand (participates in β ladder)trans-91136.3168-560000109.5L169 Q178 H180 E210 V211 T212T167-L169 HydrophobicContact CG2-CD1 3.75Å; T167-L169 HydrophobicContact CG2-CG 4.03Å; T167-Q178 PolarHBondContact N-O 2.98Å; T167-Q178 PolarHBondContact O-N 2.71Å; T167-H180 WeakPolarHBondContact OG1-CB 3.32Å; T167-H180 PolarHBondContact OG1-ND1 2.95Å; T167-E210 HydrophobicContact CG2-CG 3.35Å; T167-V211 CarbonylContact C-O 3.6Å; T167-V211 WeakPolarHBondContact CA-O 3.4Å; T167-T212 PolarHBondContact OG1-OG1 2.8Å
168I96.3Very high92.1Very high2 Ų247.8 Ų47.81%0.0126%0.256CS..EExtended strand (participates in β ladder)trans-110.5118.8162-66175.4000107.8L170 F177 E210 V211 F213 I243I168-L170 HydrophobicContact CG2-CD2 3.45Å; I168-L170 VanDerWaalsContact CG2-CD2 3.45Å; I168-L170 HydrophobicContact CG2-CG 3.9Å; I168-F177 HydrophobicContact CD1-CD1 3.97Å; I168-F177 HydrophobicContact CD1-CE1 3.54Å; I168-F177 HydrophobicContact CD1-CZ 4.37Å; I168-F177 HydrophobicContact CG1-CD1 3.65Å; I168-F177 HydrophobicContact CG1-CE1 3.75Å; I168-F177 HydrophobicContact CG1-CG 4.48Å; I168-E210 CarbonylContact O-C 3.58Å; I168-E210 WeakPolarHBondContact O-CA 3.45Å; I168-V211 HydrophobicContact CB-CG2 4.05Å; I168-V211 PolarHBondContact N-O 2.98Å; I168-V211 PolarHBondContact O-N 2.84Å; I168-F213 HydrophobicContact CD1-CE1 3.62Å; I168-F213 HydrophobicContact CD1-CZ 3.74Å; I168-F213 HydrophobicContact CG1-CE1 3.81Å; I168-F213 HydrophobicContact CG1-CZ 4.2Å; I168-I243 HydrophobicContact CD1-CD1 4.16Å
169L95.6Very high92.1Very high46 Ų4642.9 Ų42.924%0.24123%0.23CC..EExtended strand (participates in β ladder)trans-96.9119.8171.1-57.993.7000108.5T167 C175 T176 Q178 C209 E210T167-L169 HydrophobicContact CG2-CD1 3.75Å; T167-L169 HydrophobicContact CG2-CG 4.03Å; L169-C175 CarbonylContact O-C 3.57Å; L169-C175 WeakPolarHBondContact O-CA 3.46Å; L169-T176 HydrophobicContact CD1-CG2 4.3Å; L169-T176 WeakPolarHBondContact CD1-O 3.47Å; L169-T176 PolarHBondContact N-O 2.7Å; L169-T176 PolarHBondContact O-N 3.17Å; L169-Q178 HydrophobicContact CD1-CB 3.94Å; L169-C209 WeakPolarHBondContact CA-O 3.18Å; L169-E210 HydrophobicContact CG-CG 4.21Å
170L95.5Very high91.8Very high1 Ų144.8 Ų44.81%0.00524%0.239CC..EExtended strand (participates in β ladder)trans-107.3117.4178.9-60.7-175.1000110.5N143 L145 I168 C175 V205 K208 C209 C236N143-L170 HydrophobicContact CB-CD1 3.91Å; L145-L170 HydrophobicContact CD1-CD1 4.27Å; L145-L170 HydrophobicContact CD1-CD2 3.72Å; I168-L170 HydrophobicContact CG2-CD2 3.45Å; I168-L170 VanDerWaalsContact CG2-CD2 3.45Å; I168-L170 HydrophobicContact CG2-CG 3.9Å; L170-C175 HydrophobicContact CD2-CB 3.69Å; L170-C175 VanDerWaalsContact CD2-SG 3.5Å; L170-V205 HydrophobicContact CB-CG1 4.21Å; L170-V205 HydrophobicContact CB-CG2 4.11Å; L170-V205 HydrophobicContact CD1-CG2 4.27Å; L170-K208 VanDerWaalsContact O-CA 3.31Å; L170-K208 WeakPolarHBondContact O-CA 3.26Å; L170-K208 WeakPolarHBondContact O-CG 3.27Å; L170-C209 PolarHBondContact N-O 2.76Å; L170-C209 PolarHBondContact O-N 2.85Å; L170-C236 VanDerWaalsContact CD1-SG 3.54Å
171D93.6Very high91.3Very high51 Ų5139.1 Ų39.127%0.27322%0.222SC..  trans-112.4174.1165.3-146.9-59.5000110.3G173 E174 Y203 K208D171-G173 VanDerWaalsContact C-N 3.26Å; D171-G173 PolarHBondContact O-N 2.87Å; D171-E174 HydrophobicContact CB-CG 4.38Å; D171-E174 PolarHBondContact N-O 2.79Å; D171-Y203 VanDerWaalsContact O-CE1 3.26Å; D171-Y203 WeakPolarHBondContact O-CE1 3.39Å; D171-Y203 PolarHBondContact O-OH 2.66Å; D171-K208 WeakPolarHBondContact OD2-CD 3.15Å; D171-K208 VanDerWaalsContact OD2-CE 3.29Å; D171-K208 WeakPolarHBondContact OD2-CE 3.49Å; D171-K208 IonicContact OD2-NZ 3.17Å; D171-K208 PolarHBondContact OD2-NZ 2.85Å
172S89Confident90.6Very high99 Ų9936.1 Ų36.169%0.69221%0.206SC*.SBendtrans-56.5-28.3179.753.40000115.5
173G92.2Very high89.9Confident34 Ų3437 Ų3735%0.35120%0.2SC..SBendtrans-127.3-6.4-177.600000116.1D171 N196 A197D171-G173 VanDerWaalsContact C-N 3.26Å; D171-G173 PolarHBondContact O-N 2.87Å; G173-N196 PolarHBondContact O-ND2 3.14Å; G173-A197 VanDerWaalsContact O-CB 3.29Å; G173-A197 WeakPolarHBondContact O-CB 3.28Å; G173-A197 PolarHBondContact O-N 2.93Å
174E94.4Very high88.9Confident94 Ų9443.3 Ų43.344%0.43924%0.239SC..EExtended strand (participates in β ladder)trans-151.2151.4-179.360.2170.6-139.300112.7D171 V195 Y203D171-E174 HydrophobicContact CB-CG 4.38Å; D171-E174 PolarHBondContact N-O 2.79Å; E174-V195 WeakPolarHBondContact CA-O 3.27Å; E174-Y203 PolarHBondContact O-OH 2.76Å
175C96.4Very high87.9Confident0 Ų041.4 Ų41.40%024%0.238CC..EExtended strand (participates in β ladder)trans-120.5112.4174.3163.90000108.5L169 L170 F177 V195 F200 Y203L169-C175 CarbonylContact O-C 3.57Å; L169-C175 WeakPolarHBondContact O-CA 3.46Å; L170-C175 HydrophobicContact CD2-CB 3.69Å; L170-C175 VanDerWaalsContact CD2-SG 3.5Å; C175-F177 VanDerWaalsContact SG-CE2 3.5Å; C175-V195 PolarHBondContact N-O 3.38Å; C175-V195 WeakPolarHBondContact O-CB 3.47Å; C175-V195 PolarHBondContact O-N 2.93Å; C175-F200 HydrophobicContact CB-CE2 3.95Å; C175-F200 HydrophobicContact CB-CZ 3.62Å; C175-Y203 HydrophobicContact CB-CE2 3.84Å
176T96.3Very high86.4Confident14 Ų1448.4 Ų48.49%0.08628%0.283CS..EExtended strand (participates in β ladder)trans-102.1120.2-177.7-67.30000110.5L169 Q192 I193 P194L169-T176 HydrophobicContact CD1-CG2 4.3Å; L169-T176 WeakPolarHBondContact CD1-O 3.47Å; L169-T176 PolarHBondContact N-O 2.7Å; L169-T176 PolarHBondContact O-N 3.17Å; T176-Q192 HydrophobicContact CG2-CB 4.16Å; T176-Q192 HydrophobicContact CG2-CG 4.23Å; T176-I193 WeakPolarHBondContact CA-O 3.5Å; T176-P194 WeakPolarHBondContact OG1-CA 3.26Å; T176-P194 WeakPolarHBondContact OG1-CB 3.39Å
177F96.6Very high84.9Confident0 Ų053.4 Ų53.40%032%0.318CS..EExtended strand (participates in β ladder)trans-88.8133.6172.3-62.7-99.7000109.2L152 I155 F159 L166 I168 C175 Q192 I193 V195L152-F177 HydrophobicContact CD1-CE1 3.66Å; L152-F177 HydrophobicContact CD1-CZ 3.83Å; I155-F177 HydrophobicContact CD1-CD2 4.32Å; I155-F177 HydrophobicContact CD1-CE2 3.93Å; I155-F177 HydrophobicContact CD1-CZ 4.41Å; I155-F177 HydrophobicContact CG2-CB 3.98Å; I155-F177 HydrophobicContact CG2-CD1 4.07Å; I155-F177 HydrophobicContact CG2-CD2 3.81Å; I155-F177 HydrophobicContact CG2-CE2 4.29Å; I155-F177 HydrophobicContact CG2-CG 3.69Å; F159-F177 HydrophobicContact CE2-CB 3.96Å; F159-F177 HydrophobicContact CZ-CB 3.72Å; F159-F177 WeakPolarHBondContact CZ-O 3.18Å; L166-F177 HydrophobicContact CD2-CD1 4.13Å; I168-F177 HydrophobicContact CD1-CD1 3.97Å; I168-F177 HydrophobicContact CD1-CE1 3.54Å; I168-F177 HydrophobicContact CD1-CZ 4.37Å; I168-F177 HydrophobicContact CG1-CD1 3.65Å; I168-F177 HydrophobicContact CG1-CE1 3.75Å; I168-F177 HydrophobicContact CG1-CG 4.48Å; C175-F177 VanDerWaalsContact SG-CE2 3.5Å; F177-Q192 CarbonylContact O-C 3.5Å; F177-Q192 WeakPolarHBondContact O-CA 3.39Å; F177-I193 HydrophobicContact CB-CB 4.44Å; F177-I193 PolarHBondContact N-O 2.83Å; F177-I193 PolarHBondContact O-N 3.16Å; F177-V195 HydrophobicContact CD2-CG2 3.83Å; F177-V195 HydrophobicContact CE2-CB 4.42Å; F177-V195 HydrophobicContact CE2-CG2 3.82Å
178Q94.2Very high83.8Confident36 Ų3657.3 Ų57.317%0.16834%0.337CS..EExtended strand (participates in β ladder)trans-141.1141-176.4175.7172.9-21.100111L166 T167 L169 T190 T191 Q192L166-Q178 CarbonylContact C-O 3.51Å; L166-Q178 WeakPolarHBondContact CA-O 3.42Å; L166-Q178 WeakPolarHBondContact CD1-O 3.49Å; T167-Q178 PolarHBondContact N-O 2.98Å; T167-Q178 PolarHBondContact O-N 2.71Å; L169-Q178 HydrophobicContact CD1-CB 3.94Å; Q178-T190 HydrophobicContact CG-CG2 3.97Å; Q178-T191 WeakPolarHBondContact CA-O 3.46Å; Q178-Q192 HydrophobicContact CB-CG 4.01Å; Q178-Q192 HydrophobicContact CG-CG 3.88Å
179N92.4Very high83Confident14 Ų1461.8 Ų61.88%0.07536%0.36CS..EExtended strand (participates in β ladder)trans-74.9128.9167.362.4-72.9000110.2F159 T181 I189 T191F159-N179 HydrophobicContact CD1-CB 4.01Å; F159-N179 HydrophobicContact CE1-CB 4.42Å; N179-T181 WeakPolarHBondContact ND2-CG2 3.5Å; N179-I189 PolarHBondContact ND2-O 2.89Å; N179-I189 VanDerWaalsContact ND2-O 3.11Å; N179-T191 PolarHBondContact N-O 2.94Å; N179-T191 WeakPolarHBondContact OD1-CA 3.44Å; N179-T191 VanDerWaalsContact OD1-CB 3.31Å; N179-T191 WeakPolarHBondContact OD1-CB 3.4Å; N179-T191 PolarHBondContact OD1-N 3.44Å; N179-T191 PolarHBondContact OD1-O 3Å
180H85.9Confident82.5Confident45 Ų4562.6 Ų62.621%0.20837%0.367CS..  trans-88147.9177-170.588.3000111.2E165 T167 F182 T212E165-H180 HydrophobicContact CB-CB 3.67Å; E165-H180 PolarHBondContact O-N 3.07Å; T167-H180 WeakPolarHBondContact OG1-CB 3.32Å; T167-H180 PolarHBondContact OG1-ND1 2.95Å; H180-F182 AromaticContact CD2-CD1 3.9Å; H180-F182 AromaticContact CD2-CE1 3.55Å; H180-F182 AromaticContact CD2-CZ 3.8Å; H180-F182 AromaticContact NE2-CD1 3.55Å; H180-F182 AromaticContact NE2-CE1 3.34Å; H180-F182 VanDerWaalsContact NE2-CE1 3.34Å; H180-F182 WeakPolarHBondContact NE2-CE1 3.29Å; H180-T212 HydrophobicContact CB-CG2 3.53Å; H180-T212 VanDerWaalsContact CG-CG2 3.48Å
181T78.9Confident82.2Confident37 Ų3764.4 Ų64.423%0.22738%0.378CS..  trans-148104-168.255.20000111N179 Q183 M188N179-T181 WeakPolarHBondContact ND2-CG2 3.5Å; T181-Q183 PolarHBondContact O-N 3.37Å; T181-M188 HydrophobicContact CG2-CE 3.49Å; T181-M188 VanDerWaalsContact CG2-CE 3.49Å; T181-M188 HydrophobicContact CG2-CG 3.71Å; T181-M188 HydrophobicContact CG2-SD 4.44Å
182F70.7Confident82.2Confident105 Ų10566.6 Ų66.646%0.46139%0.387SS..SBendtrans-67.2-16.5-179.5-57.3-66.5000114.5E165 H180 F262E165-F182 HydrophobicContact CG-CE2 3.75Å; E165-F182 HydrophobicContact CG-CZ 4Å; H180-F182 AromaticContact CD2-CD1 3.9Å; H180-F182 AromaticContact CD2-CE1 3.55Å; H180-F182 AromaticContact CD2-CZ 3.8Å; H180-F182 AromaticContact NE2-CD1 3.55Å; H180-F182 AromaticContact NE2-CE1 3.34Å; H180-F182 VanDerWaalsContact NE2-CE1 3.34Å; H180-F182 WeakPolarHBondContact NE2-CE1 3.29Å; F182-F262 HydrophobicContact CE1-CE1 4.47Å; F182-F262 HydrophobicContact CE1-CZ 4.4Å; F182-F262 HydrophobicContact CZ-CD2 4.49Å; F182-F262 HydrophobicContact CZ-CE1 4.16Å; F182-F262 AromaticContact CZ-CE2 3.87Å; F182-F262 HydrophobicContact CZ-CE2 3.87Å; F182-F262 AromaticContact CZ-CZ 3.68Å; F182-F262 HydrophobicContact CZ-CZ 3.68Å
183Q68.3Low82.5Confident105 Ų10563.5 Ų63.549%0.49136%0.362SS..  trans-107.6113.4-174.4-65.9179.5-0.800110.9T181 G185 E370T181-Q183 PolarHBondContact O-N 3.37Å; Q183-G185 VanDerWaalsContact C-N 3.28Å; Q183-G185 PolarHBondContact O-N 3.14Å; Q183-E370 PolarHBondContact NE2-OE1 3.46Å; Q183-E370 PolarHBondContact NE2-OE2 2.86Å
184T63.1Low82.7Confident155 Ų15565.5 Ų65.595%0.95137%0.369SS*.  trans-80.368.8177.341.80000111.5
185G63.7Low82.8Confident29 Ų2961.1 Ų61.130%0.29935%0.349SS..  trans-108.5148.2178.200000113.6Q183 S187 M188Q183-G185 VanDerWaalsContact C-N 3.28Å; Q183-G185 PolarHBondContact O-N 3.14Å; G185-S187 PolarHBondContact O-N 2.85Å; G185-S187 VanDerWaalsContact O-N 3.08Å; G185-M188 VanDerWaalsContact O-CB 3.25Å; G185-M188 WeakPolarHBondContact O-CB 3.34Å; G185-M188 PolarHBondContact O-N 3.23Å
186P61.5Low82.8Confident149 Ų14964.5 Ų64.597%0.96837%0.367SS*.THydrogen-bonded Turntrans-68.5-6.8179.929.2-36.4000114.4
187S63.9Low82.8Confident105 Ų10564.9 Ų64.973%0.73437%0.372SS*.THydrogen-bonded Turntrans-92.7-3.1172.553.30000113.6G185 I189G185-S187 PolarHBondContact O-N 2.85Å; G185-S187 VanDerWaalsContact O-N 3.08Å; S187-I189 PolarHBondContact O-N 2.93Å
188M70.9Confident82.8Confident83 Ų8370.8 Ų70.841%0.40941%0.407SS..  trans-80.2116.6-176.5-141.772.3-177.200110.4T181 G185T181-M188 HydrophobicContact CG2-CE 3.49Å; T181-M188 VanDerWaalsContact CG2-CE 3.49Å; T181-M188 HydrophobicContact CG2-CG 3.71Å; T181-M188 HydrophobicContact CG2-SD 4.44Å; G185-M188 VanDerWaalsContact O-CB 3.25Å; G185-M188 WeakPolarHBondContact O-CB 3.34Å; G185-M188 PolarHBondContact O-N 3.23Å
189I79.7Confident82.9Confident96 Ų9673.5 Ų73.549%0.49242%0.42SS..  trans-94.2113177-65.9168.9000109.1N179 S187N179-I189 PolarHBondContact ND2-O 2.89Å; N179-I189 VanDerWaalsContact ND2-O 3.11Å; S187-I189 PolarHBondContact O-N 2.93Å
190T84.7Confident83.1Confident63 Ų6373.6 Ų73.639%0.38742%0.42SS..  trans-82.8123.8167.8-53.70000109.4Q178 Q192Q178-T190 HydrophobicContact CG-CG2 3.97Å; T190-Q192 HydrophobicContact CG2-CG 4.22Å
191T90.1Very high83.6Confident38 Ų3875.7 Ų75.723%0.23343%0.433CS..  trans-105.8124.2169.5-54.20000106.6F159 Q178 N179 I193F159-T191 HydrophobicContact CD1-CG2 4.07Å; F159-T191 HydrophobicContact CE1-CG2 3.92Å; Q178-T191 WeakPolarHBondContact CA-O 3.46Å; N179-T191 PolarHBondContact N-O 2.94Å; N179-T191 WeakPolarHBondContact OD1-CA 3.44Å; N179-T191 VanDerWaalsContact OD1-CB 3.31Å; N179-T191 WeakPolarHBondContact OD1-CB 3.4Å; N179-T191 PolarHBondContact OD1-N 3.44Å; N179-T191 PolarHBondContact OD1-O 3Å; T191-I193 HydrophobicContact CG2-CG1 4.28Å
192Q92.7Very high84.4Confident98 Ų9876 Ų7646%0.45843%0.434SS..EExtended strand (participates in β ladder)trans-119.7138.4171.9-80.6171-25.500108.7T176 F177 Q178 T190T176-Q192 HydrophobicContact CG2-CB 4.16Å; T176-Q192 HydrophobicContact CG2-CG 4.23Å; F177-Q192 CarbonylContact O-C 3.5Å; F177-Q192 WeakPolarHBondContact O-CA 3.39Å; Q178-Q192 HydrophobicContact CB-CG 4.01Å; Q178-Q192 HydrophobicContact CG-CG 3.88Å; T190-Q192 HydrophobicContact CG2-CG 4.22Å
193I95.9Very high85.6Confident33 Ų3373 Ų7317%0.16942%0.421CS..EExtended strand (participates in β ladder)trans-130.790.9179-52.7-179.3000106.9I155 N158 F159 T176 F177 T191 V195I155-I193 HydrophobicContact CG1-CG2 4.39Å; I155-I193 HydrophobicContact CG2-CD1 4.3Å; I155-I193 HydrophobicContact CG2-CG2 4.43Å; N158-I193 HydrophobicContact CB-CD1 3.45Å; N158-I193 VanDerWaalsContact CB-CD1 3.45Å; F159-I193 HydrophobicContact CD2-CD1 4.19Å; F159-I193 HydrophobicContact CE1-CD1 4.36Å; F159-I193 HydrophobicContact CE1-CG1 4.49Å; F159-I193 HydrophobicContact CE2-CD1 3.5Å; F159-I193 VanDerWaalsContact CE2-CD1 3.5Å; F159-I193 HydrophobicContact CE2-CG1 4.23Å; F159-I193 HydrophobicContact CZ-CB 4.38Å; F159-I193 HydrophobicContact CZ-CD1 3.58Å; F159-I193 HydrophobicContact CZ-CG1 3.82Å; T176-I193 WeakPolarHBondContact CA-O 3.5Å; F177-I193 HydrophobicContact CB-CB 4.44Å; F177-I193 PolarHBondContact N-O 2.83Å; F177-I193 PolarHBondContact O-N 3.16Å; T191-I193 HydrophobicContact CG2-CG1 4.28Å; I193-V195 HydrophobicContact CG2-CG2 4.31Å
194P95.6Very high86.8Confident76 Ų7675.1 Ų75.149%0.49442%0.424SS..EExtended strand (participates in β ladder)trans-69135.5170.129.5-33.4000109.7T176T176-P194 WeakPolarHBondContact OG1-CA 3.26Å; T176-P194 WeakPolarHBondContact OG1-CB 3.39Å
195V96.7Very high88.3Confident3 Ų369.2 Ų69.22%0.01839%0.388CS..EExtended strand (participates in β ladder)trans-126.2125.1176.9-174.80000106.8L151 I155 E174 C175 F177 I193 E199 F200L151-V195 HydrophobicContact CD2-CG1 4.37Å; I155-V195 HydrophobicContact CD1-CG2 3.63Å; I155-V195 HydrophobicContact CG1-CG2 4.19Å; E174-V195 WeakPolarHBondContact CA-O 3.27Å; C175-V195 PolarHBondContact N-O 3.38Å; C175-V195 WeakPolarHBondContact O-CB 3.47Å; C175-V195 PolarHBondContact O-N 2.93Å; F177-V195 HydrophobicContact CD2-CG2 3.83Å; F177-V195 HydrophobicContact CE2-CB 4.42Å; F177-V195 HydrophobicContact CE2-CG2 3.82Å; I193-V195 HydrophobicContact CG2-CG2 4.31Å; V195-E199 HydrophobicContact CG1-CB 3.83Å; V195-E199 HydrophobicContact CG1-CG 4.33Å; V195-F200 HydrophobicContact CB-CE2 4.07Å; V195-F200 HydrophobicContact CB-CZ 4.34Å; V195-F200 HydrophobicContact CG1-CD2 4.4Å; V195-F200 HydrophobicContact CG1-CE2 3.59Å; V195-F200 HydrophobicContact CG1-CZ 4.03Å
196N96.7Very high89.5Confident71 Ų7175.3 Ų75.338%0.3841%0.408SS..EExtended strand (participates in β ladder)trans-72.9147.5-175.6-168.3-86.4000110.9G173 T198 E199 F200G173-N196 PolarHBondContact O-ND2 3.14Å; N196-T198 PolarHBondContact O-N 3.38Å; N196-T198 PolarHBondContact OD1-N 3.42Å; N196-T198 PolarHBondContact OD1-OG1 3.05Å; N196-E199 HydrophobicContact CB-CG 4.48Å; N196-E199 PolarHBondContact N-OE1 2.91Å; N196-E199 WeakPolarHBondContact O-CB 3.48Å; N196-E199 PolarHBondContact O-N 3.28Å; N196-F200 WeakPolarHBondContact O-CD2 3.48Å
197A96.3Very high90.8Very high22 Ų2270.6 Ų70.618%0.18238%0.379CS..G310 helixtrans-53.1-26.5175.700000113.8G173 E199 F200 Y203G173-A197 VanDerWaalsContact O-CB 3.29Å; G173-A197 WeakPolarHBondContact O-CB 3.28Å; G173-A197 PolarHBondContact O-N 2.93Å; A197-E199 VanDerWaalsContact C-N 3.28Å; A197-E199 PolarHBondContact O-N 3.23Å; A197-F200 PolarHBondContact O-N 3.13Å; A197-Y203 HydrophobicContact CB-CD1 3.51Å; A197-Y203 HydrophobicContact CB-CD2 4.05Å; A197-Y203 HydrophobicContact CB-CE1 3.92Å; A197-Y203 HydrophobicContact CB-CE2 4.43Å; A197-Y203 HydrophobicContact CB-CG 3.59Å
198T96.5Very high92.1Very high123 Ų12373.1 Ų73.176%0.75538%0.376SS*.G310 helixtrans-73.5-10.4176.160.80000115N196 F200N196-T198 PolarHBondContact O-N 3.38Å; N196-T198 PolarHBondContact OD1-N 3.42Å; N196-T198 PolarHBondContact OD1-OG1 3.05Å; T198-F200 VanDerWaalsContact C-N 3.3Å
199E96Very high93.1Very high93 Ų9369.7 Ų69.744%0.43536%0.361SS..G310 helixtrans-87.4-1.5176-59.9177.4-106.700112.8L151 V195 N196 A197L151-E199 HydrophobicContact CD2-CB 3.93Å; V195-E199 HydrophobicContact CG1-CB 3.83Å; V195-E199 HydrophobicContact CG1-CG 4.33Å; N196-E199 HydrophobicContact CB-CG 4.48Å; N196-E199 PolarHBondContact N-OE1 2.91Å; N196-E199 WeakPolarHBondContact O-CB 3.48Å; N196-E199 PolarHBondContact O-N 3.28Å; A197-E199 VanDerWaalsContact C-N 3.28Å; A197-E199 PolarHBondContact O-N 3.23Å
200F96.9Very high93.8Very high17 Ų1769.8 Ų69.88%0.07536%0.359CS..SBendtrans-104.5137.1178.2-65.4-100.8000110.7L145 V146 I147 C175 V195 N196 A197 T198 V202 Y203L145-F200 HydrophobicContact CB-CD1 4.06Å; L145-F200 HydrophobicContact CB-CE1 4.18Å; L145-F200 HydrophobicContact CD1-CE1 4.1Å; V146-F200 CarbonylContact O-C 3.6Å; V146-F200 WeakPolarHBondContact O-CA 3.45Å; V146-F200 WeakPolarHBondContact O-CB 3.33Å; I147-F200 HydrophobicContact CB-CD1 3.76Å; I147-F200 HydrophobicContact CB-CE1 3.89Å; I147-F200 HydrophobicContact CD1-CD1 4.36Å; I147-F200 HydrophobicContact CD1-CE1 3.81Å; I147-F200 HydrophobicContact CD1-CZ 4.15Å; I147-F200 HydrophobicContact CG1-CD1 4.15Å; I147-F200 HydrophobicContact CG1-CE1 4.1Å; C175-F200 HydrophobicContact CB-CE2 3.95Å; C175-F200 HydrophobicContact CB-CZ 3.62Å; V195-F200 HydrophobicContact CB-CE2 4.07Å; V195-F200 HydrophobicContact CB-CZ 4.34Å; V195-F200 HydrophobicContact CG1-CD2 4.4Å; V195-F200 HydrophobicContact CG1-CE2 3.59Å; V195-F200 HydrophobicContact CG1-CZ 4.03Å; N196-F200 WeakPolarHBondContact O-CD2 3.48Å; A197-F200 PolarHBondContact O-N 3.13Å; T198-F200 VanDerWaalsContact C-N 3.3Å; F200-V202 PolarHBondContact O-N 3.5Å; F200-Y203 HydrophobicContact CB-CD2 4.18Å; F200-Y203 HydrophobicContact CD1-CD2 4.23Å; F200-Y203 AromaticContact CD2-CD2 3.62Å; F200-Y203 HydrophobicContact CD2-CD2 3.62Å; F200-Y203 HydrophobicContact CD2-CE2 4.08Å; F200-Y203 AromaticContact CE2-CD2 4Å; F200-Y203 HydrophobicContact CE2-CD2 4Å; F200-Y203 AromaticContact CE2-CE2 3.96Å; F200-Y203 HydrophobicContact CE2-CE2 3.96Å; F200-Y203 AromaticContact CG-CD2 3.76Å; F200-Y203 HydrophobicContact CG-CD2 3.76Å; F200-Y203 HydrophobicContact CG-CE2 4.48Å; F200-Y203 HydrophobicContact CZ-CD2 4.46Å; F200-Y203 HydrophobicContact CZ-CE2 4.26Å
201D96.1Very high94.3Very high89 Ų8966.9 Ų66.948%0.47634%0.341SS..SBendtrans-62.6-28.9172.8-56.6-74.9000111.8V146 M231V146-D201 HydrophobicContact CB-CB 4.14Å; V146-D201 HydrophobicContact CG1-CB 3.95Å; V146-D201 PolarHBondContact O-N 2.96Å; D201-M231 HydrophobicContact CB-CE 4.44Å
202V95.9Very high94.5Very high43 Ų4365.4 Ų65.426%0.26133%0.332SS..EExtended strand (participates in β ladder)trans-145.7125.7171.71800000108.7L145 V146 F200 R204L145-V202 CarbonylContact C-O 3.58Å; L145-V202 WeakPolarHBondContact CA-O 3.28Å; V146-V202 HydrophobicContact CB-CB 3.95Å; V146-V202 HydrophobicContact CB-CG2 4.19Å; V146-V202 HydrophobicContact CG2-CB 3.81Å; V146-V202 HydrophobicContact CG2-CG2 3.95Å; V146-V202 PolarHBondContact N-O 2.89Å; V146-V202 PolarHBondContact O-N 3.19Å; F200-V202 PolarHBondContact O-N 3.5Å; V202-R204 HydrophobicContact CG1-CG 3.84Å
203Y96.2Very high94.7Very high43 Ų4360.8 Ų60.817%0.16931%0.31CS..EExtended strand (participates in β ladder)trans-120.3106.3171.6-160.4-97.4000109.7L145 D171 E174 C175 A197 F200 V205L145-Y203 HydrophobicContact CD2-CD2 3.67Å; L145-Y203 HydrophobicContact CD2-CE2 3.63Å; L145-Y203 HydrophobicContact CD2-CG 4.33Å; D171-Y203 VanDerWaalsContact O-CE1 3.26Å; D171-Y203 WeakPolarHBondContact O-CE1 3.39Å; D171-Y203 PolarHBondContact O-OH 2.66Å; E174-Y203 PolarHBondContact O-OH 2.76Å; C175-Y203 HydrophobicContact CB-CE2 3.84Å; A197-Y203 HydrophobicContact CB-CD1 3.51Å; A197-Y203 HydrophobicContact CB-CD2 4.05Å; A197-Y203 HydrophobicContact CB-CE1 3.92Å; A197-Y203 HydrophobicContact CB-CE2 4.43Å; A197-Y203 HydrophobicContact CB-CG 3.59Å; F200-Y203 HydrophobicContact CB-CD2 4.18Å; F200-Y203 HydrophobicContact CD1-CD2 4.23Å; F200-Y203 AromaticContact CD2-CD2 3.62Å; F200-Y203 HydrophobicContact CD2-CD2 3.62Å; F200-Y203 HydrophobicContact CD2-CE2 4.08Å; F200-Y203 AromaticContact CE2-CD2 4Å; F200-Y203 HydrophobicContact CE2-CD2 4Å; F200-Y203 AromaticContact CE2-CE2 3.96Å; F200-Y203 HydrophobicContact CE2-CE2 3.96Å; F200-Y203 AromaticContact CG-CD2 3.76Å; F200-Y203 HydrophobicContact CG-CD2 3.76Å; F200-Y203 HydrophobicContact CG-CE2 4.48Å; F200-Y203 HydrophobicContact CZ-CD2 4.46Å; F200-Y203 HydrophobicContact CZ-CE2 4.26Å; Y203-V205 HydrophobicContact CD1-CG2 4.19Å; Y203-V205 HydrophobicContact CE1-CB 4.15Å; Y203-V205 HydrophobicContact CE1-CG2 3.5Å; Y203-V205 VanDerWaalsContact CE1-CG2 3.5Å; Y203-V205 HydrophobicContact CE2-CG2 4.34Å
204R94.5Very high94.6Very high149 Ų14959.7 Ų59.756%0.56231%0.305SS*.EExtended strand (participates in β ladder)trans-128.196.5176.9-65.5179.1-172.5173.21.4110N143 H144 V202N143-R204 CarbonylContact C-O 3.54Å; N143-R204 WeakPolarHBondContact CA-O 3.43Å; H144-R204 PolarHBondContact N-O 3.32Å; H144-R204 WeakPolarHBondContact O-CB 3.44Å; H144-R204 PolarHBondContact O-N 3.11Å; V202-R204 HydrophobicContact CG1-CG 3.84Å
205V93.5Very high94.5Very high31 Ų3156 Ų5619%0.18828%0.282CS..EExtended strand (participates in β ladder)trans-111.5113.1173.81770000108N143 L145 L170 Y203 S207N143-V205 VanDerWaalsContact OD1-CA 3.28Å; N143-V205 WeakPolarHBondContact OD1-CA 3.35Å; L145-V205 HydrophobicContact CD2-CG2 4Å; L170-V205 HydrophobicContact CB-CG1 4.21Å; L170-V205 HydrophobicContact CB-CG2 4.11Å; L170-V205 HydrophobicContact CD1-CG2 4.27Å; Y203-V205 HydrophobicContact CD1-CG2 4.19Å; Y203-V205 HydrophobicContact CE1-CB 4.15Å; Y203-V205 HydrophobicContact CE1-CG2 3.5Å; Y203-V205 VanDerWaalsContact CE1-CG2 3.5Å; Y203-V205 HydrophobicContact CE2-CG2 4.34Å; V205-S207 WeakPolarHBondContact CG1-O 3.17Å
206H90.4Very high94.3Very high157 Ų15759.7 Ų59.773%0.72730%0.297SS*.SBendtrans-93.9-21.6175.3-60.6104000112.1A142 N143A142-H206 PolarHBondContact O-ND1 3.22Å; N143-H206 PolarHBondContact OD1-N 2.65Å
207S87.9Confident94.2Very high50 Ų5057.3 Ų57.335%0.3528%0.284SS..SBendtrans-142135.1176.455.30000111.5N143 V205 C209N143-S207 PolarHBondContact ND2-O 3.43Å; N143-S207 PolarHBondContact OD1-N 2.87Å; N143-S207 PolarHBondContact OD1-O 3.03Å; V205-S207 WeakPolarHBondContact CG1-O 3.17Å; S207-C209 PolarHBondContact O-N 2.87Å
208K91.8Very high94.1Very high157 Ų15756.3 Ų56.368%0.68328%0.276SS*.  trans-59.4131.7171.8175.7160.3-168.71610109.5L170 D171L170-K208 VanDerWaalsContact O-CA 3.31Å; L170-K208 WeakPolarHBondContact O-CA 3.26Å; L170-K208 WeakPolarHBondContact O-CG 3.27Å; D171-K208 WeakPolarHBondContact OD2-CD 3.15Å; D171-K208 VanDerWaalsContact OD2-CE 3.29Å; D171-K208 WeakPolarHBondContact OD2-CE 3.49Å; D171-K208 IonicContact OD2-NZ 3.17Å; D171-K208 PolarHBondContact OD2-NZ 2.85Å
209C91.9Very high94Very high12 Ų1253.1 Ų53.18%0.08125%0.25CC..EExtended strand (participates in β ladder)trans-149.6152.4-170.4-164.30000112.6L169 L170 S207 D237L169-C209 WeakPolarHBondContact CA-O 3.18Å; L170-C209 PolarHBondContact N-O 2.76Å; L170-C209 PolarHBondContact O-N 2.85Å; S207-C209 PolarHBondContact O-N 2.87Å; C209-D237 PolarHBondContact SG-O 2.84Å
210E93.6Very high93.9Very high98 Ų9849.9 Ų49.946%0.45824%0.236SC..EExtended strand (participates in β ladder)trans-131.597.6179.7-178.6-178.3163.100110T167 I168 L169 P239T167-E210 HydrophobicContact CG2-CG 3.35Å; I168-E210 CarbonylContact O-C 3.58Å; I168-E210 WeakPolarHBondContact O-CA 3.45Å; L169-E210 HydrophobicContact CG-CG 4.21Å; E210-P239 VanDerWaalsContact O-CG 3.23Å; E210-P239 WeakPolarHBondContact O-CG 3.48Å
211V94.9Very high93.7Very high1 Ų149.1 Ų49.11%0.00623%0.233CC..EExtended strand (participates in β ladder)trans-107.5114.2-175.9-72.10000112.1T167 I168 F213 C236 D237 I243 T261T167-V211 CarbonylContact C-O 3.6Å; T167-V211 WeakPolarHBondContact CA-O 3.4Å; I168-V211 HydrophobicContact CB-CG2 4.05Å; I168-V211 PolarHBondContact N-O 2.98Å; I168-V211 PolarHBondContact O-N 2.84Å; V211-F213 WeakPolarHBondContact O-CD1 3.26Å; V211-C236 HydrophobicContact CG1-CB 4.43Å; V211-C236 HydrophobicContact CG2-CB 4.4Å; V211-D237 WeakPolarHBondContact CG1-O 3.49Å; V211-I243 HydrophobicContact CG2-CD1 4.09Å; V211-T261 HydrophobicContact CB-CG2 3.83Å; V211-T261 HydrophobicContact CG1-CG2 4.04Å
212T95.7Very high93.6Very high8 Ų845.2 Ų45.25%0.04921%0.212CC..EExtended strand (participates in β ladder)trans-102.5120.1180-58.30000111.3E165 L166 T167 H180 T261 F262E165-T212 HydrophobicContact CB-CG2 4.23Å; L166-T212 CarbonylContact O-C 3.47Å; L166-T212 WeakPolarHBondContact O-CA 3.45Å; T167-T212 PolarHBondContact OG1-OG1 2.8Å; H180-T212 HydrophobicContact CB-CG2 3.53Å; H180-T212 VanDerWaalsContact CG-CG2 3.48Å; T212-T261 CarbonylContact O-C 3.46Å; T212-T261 WeakPolarHBondContact O-CA 3.43Å; T212-F262 HydrophobicContact CG2-CD2 3.96Å; T212-F262 PolarHBondContact O-N 3.12Å
213F95.3Very high93.3Very high0 Ų046 Ų460%022%0.22CC..EExtended strand (participates in β ladder)trans-147.4178.4-173.364.3-86.2000113.3E165 L166 I168 V211 Q215 L218 I243 F245 F259 A260 T261E165-F213 WeakPolarHBondContact CA-O 3.44Å; L166-F213 HydrophobicContact CB-CZ 4.48Å; L166-F213 HydrophobicContact CD2-CE2 4.42Å; L166-F213 HydrophobicContact CD2-CZ 3.94Å; L166-F213 PolarHBondContact N-O 2.71Å; L166-F213 WeakPolarHBondContact O-CD1 3.48Å; L166-F213 PolarHBondContact O-N 2.83Å; I168-F213 HydrophobicContact CD1-CE1 3.62Å; I168-F213 HydrophobicContact CD1-CZ 3.74Å; I168-F213 HydrophobicContact CG1-CE1 3.81Å; I168-F213 HydrophobicContact CG1-CZ 4.2Å; V211-F213 WeakPolarHBondContact O-CD1 3.26Å; F213-Q215 PolarHBondContact O-N 2.98Å; F213-Q215 VanDerWaalsContact O-N 3.16Å; F213-L218 HydrophobicContact CE2-CB 4.17Å; F213-L218 HydrophobicContact CE2-CD2 3.84Å; F213-L218 HydrophobicContact CZ-CD2 4.05Å; F213-I243 HydrophobicContact CB-CG2 3.93Å; F213-I243 HydrophobicContact CD1-CD1 3.89Å; F213-I243 HydrophobicContact CD1-CG2 3.93Å; F213-I243 HydrophobicContact CD2-CG2 4.21Å; F213-I243 HydrophobicContact CE1-CD1 3.56Å; F213-I243 HydrophobicContact CG-CG2 3.74Å; F213-I243 HydrophobicContact CZ-CD1 4.01Å; F213-F245 HydrophobicContact CD2-CE2 4.45Å; F213-F245 HydrophobicContact CE2-CE2 4.02Å; F213-F245 AromaticContact CE2-CZ 3.72Å; F213-F245 HydrophobicContact CE2-CZ 3.72Å; F213-F245 HydrophobicContact CZ-CE2 4.38Å; F213-F245 AromaticContact CZ-CZ 3.73Å; F213-F245 HydrophobicContact CZ-CZ 3.73Å; F213-F259 HydrophobicContact CD2-CD2 4.04Å; F213-A260 VanDerWaalsContact CB-O 3.26Å; F213-A260 WeakPolarHBondContact CB-O 3.39Å; F213-T261 HydrophobicContact CB-CG2 4.44Å
214C94.1Very high93.2Very high10 Ų1044 Ų447%0.06821%0.212CC..EExtended strand (participates in β ladder)trans-71.8106.5-170.3-157.50000114K216 E217 L218 R377C214-K216 VanDerWaalsContact C-N 3.31Å; C214-K216 PolarHBondContact O-N 2.74Å; C214-E217 HydrophobicContact CB-CB 4.04Å; C214-E217 HydrophobicContact CB-CG 3.96Å; C214-E217 WeakPolarHBondContact CB-OE2 3.08Å; C214-E217 PolarHBondContact O-N 3.33Å; C214-E217 VanDerWaalsContact SG-CD 3.52Å; C214-E217 VanDerWaalsContact SG-CG 3.58Å; C214-L218 PolarHBondContact O-N 3.37Å; C214-R377 VanDerWaalsContact CB-NH2 3.32Å; C214-R377 VanDerWaalsContact N-NH2 3.16Å; C214-R377 PolarHBondContact SG-NH1 2.87Å
215Q93.8Very high93.2Very high0 Ų036.9 Ų36.90%019%0.185CC..Hα-helixtrans-63.5-38.1177.9-167.1-161.3-9.500112.1R160 S163 E164 L166 F213 E217 L218 R219R160-Q215 PolarHBondContact O-NE2 2.84Å; S163-Q215 PolarHBondContact O-OE1 3.12Å; S163-Q215 PolarHBondContact OG-OE1 3.47Å; E164-Q215 PolarHBondContact O-N 3.01Å; L166-Q215 HydrophobicContact CB-CB 3.98Å; L166-Q215 HydrophobicContact CB-CG 4.15Å; F213-Q215 PolarHBondContact O-N 2.98Å; F213-Q215 VanDerWaalsContact O-N 3.16Å; Q215-E217 PolarHBondContact O-N 3.46Å; Q215-L218 PolarHBondContact O-N 3.16Å; Q215-R219 PolarHBondContact O-N 3.2Å
216K92.4Very high93.1Very high79 Ų7940.3 Ų40.334%0.34320%0.199SC..Hα-helixtrans-63.9-32.6-177.5-66.4177.7-178.6173.50111.7S162 S163 E164 C214 V220S162-K216 PolarHBondContact O-NZ 2.85Å; S163-K216 WeakPolarHBondContact O-CE 3.4Å; E164-K216 IonicContact OE1-NZ 3.69Å; E164-K216 PolarHBondContact OE1-NZ 3.25Å; C214-K216 VanDerWaalsContact C-N 3.31Å; C214-K216 PolarHBondContact O-N 2.74Å; K216-V220 WeakPolarHBondContact O-CG2 3.4Å; K216-V220 PolarHBondContact O-N 3.29Å
217E94.4Very high93.2Very high22 Ų2235.8 Ų35.810%0.10318%0.18CC..Hα-helixtrans-80-37.2178.1-63.5172163.700111.3L23 N42 S47 C214 Q215 R219 V220 I221 F259L23-E217 HydrophobicContact CD1-CB 3.81Å; L23-E217 HydrophobicContact CD1-CG 3.48Å; L23-E217 VanDerWaalsContact CD1-CG 3.48Å; N42-E217 PolarHBondContact ND2-OE1 3.04Å; S47-E217 WeakPolarHBondContact CB-OE2 3.39Å; S47-E217 VanDerWaalsContact OG-CD 3.26Å; S47-E217 PolarHBondContact OG-OE1 3.36Å; S47-E217 PolarHBondContact OG-OE2 3Å; C214-E217 HydrophobicContact CB-CB 4.04Å; C214-E217 HydrophobicContact CB-CG 3.96Å; C214-E217 WeakPolarHBondContact CB-OE2 3.08Å; C214-E217 PolarHBondContact O-N 3.33Å; C214-E217 VanDerWaalsContact SG-CD 3.52Å; C214-E217 VanDerWaalsContact SG-CG 3.58Å; Q215-E217 PolarHBondContact O-N 3.46Å; E217-R219 VanDerWaalsContact C-N 3.33Å; E217-R219 PolarHBondContact O-N 2.73Å; E217-V220 WeakPolarHBondContact O-CB 3.17Å; E217-V220 PolarHBondContact O-N 3.14Å; E217-V220 VanDerWaalsContact O-N 3.14Å; E217-I221 PolarHBondContact O-N 2.87Å; E217-I221 VanDerWaalsContact O-N 3.12Å; E217-F259 HydrophobicContact CB-CE1 3.97Å; E217-F259 HydrophobicContact CB-CE2 4.07Å; E217-F259 HydrophobicContact CB-CZ 3.7Å
218L95.3Very high93.4Very high1 Ų133.6 Ų33.61%0.00516%0.164CC..Hα-helixtrans-58.3-43.4171-179.855.9000112.1L152 I156 L166 F213 C214 Q215 V220 I221 L222 F245 F259L152-L218 HydrophobicContact CD2-CD1 4.46Å; I156-L218 HydrophobicContact CD1-CD2 3.59Å; I156-L218 HydrophobicContact CD1-CG 4.45Å; I156-L218 HydrophobicContact CG1-CD2 3.95Å; I156-L218 HydrophobicContact CG1-CG 4.45Å; L166-L218 HydrophobicContact CD2-CD2 3.96Å; F213-L218 HydrophobicContact CE2-CB 4.17Å; F213-L218 HydrophobicContact CE2-CD2 3.84Å; F213-L218 HydrophobicContact CZ-CD2 4.05Å; C214-L218 PolarHBondContact O-N 3.37Å; Q215-L218 PolarHBondContact O-N 3.16Å; L218-V220 VanDerWaalsContact C-N 3.31Å; L218-V220 PolarHBondContact O-N 3.46Å; L218-I221 HydrophobicContact CD1-CD1 4Å; L218-I221 HydrophobicContact CD1-CG1 4.06Å; L218-I221 VanDerWaalsContact O-CG1 3.28Å; L218-I221 WeakPolarHBondContact O-CG1 3.14Å; L218-I221 PolarHBondContact O-N 3.34Å; L218-L222 HydrophobicContact CD1-CD1 4.22Å; L218-L222 HydrophobicContact CD1-CG 4.17Å; L218-L222 HydrophobicContact CG-CD1 4.04Å; L218-L222 HydrophobicContact CG-CG 4.48Å; L218-L222 WeakPolarHBondContact O-CG 3.37Å; L218-L222 PolarHBondContact O-N 3.39Å; L218-F245 HydrophobicContact CD1-CD1 4.03Å; L218-F245 HydrophobicContact CD1-CE1 3.72Å; L218-F245 HydrophobicContact CD1-CE2 4.38Å; L218-F245 HydrophobicContact CD1-CG 4.49Å; L218-F245 HydrophobicContact CD1-CZ 3.92Å; L218-F245 HydrophobicContact CD2-CE1 4.43Å; L218-F245 HydrophobicContact CD2-CZ 4.3Å; L218-F259 HydrophobicContact CB-CE2 4.28Å
219R93.3Very high93.4Very high55 Ų5526.9 Ų26.921%0.20814%0.137CC..Hα-helixtrans-59.4-38.5174.1-72.4-175-173.7-79.35113.4I156 F159 R160 Q215 E217I156-R219 HydrophobicContact CG2-CG 3.62Å; I156-R219 VanDerWaalsContact O-CZ 3.22Å; I156-R219 PolarHBondContact O-NH1 2.82Å; I156-R219 PolarHBondContact O-NH2 3Å; F159-R219 PolarHBondContact O-NH2 2.85Å; R160-R219 PolarHBondContact O-NH2 2.95Å; R160-R219 VanDerWaalsContact O-NH2 3.16Å; Q215-R219 PolarHBondContact O-N 3.2Å; E217-R219 VanDerWaalsContact C-N 3.33Å; E217-R219 PolarHBondContact O-N 2.73Å
220V93.2Very high93.5Very high25 Ų2531 Ų3115%0.15216%0.164CC..Hα-helixtrans-63.3-49.7177.9164.70000110.3S19 K22 K216 E217 L218 S223S19-V220 WeakPolarHBondContact O-CG1 3.46Å; S19-V220 PolarHBondContact OG-O 2.94Å; K22-V220 HydrophobicContact CB-CB 4.49Å; K22-V220 HydrophobicContact CB-CG1 3.71Å; K22-V220 HydrophobicContact CB-CG2 3.88Å; K22-V220 HydrophobicContact CD-CG1 4.31Å; K22-V220 HydrophobicContact CD-CG2 4.3Å; K216-V220 WeakPolarHBondContact O-CG2 3.4Å; K216-V220 PolarHBondContact O-N 3.29Å; E217-V220 WeakPolarHBondContact O-CB 3.17Å; E217-V220 PolarHBondContact O-N 3.14Å; E217-V220 VanDerWaalsContact O-N 3.14Å; L218-V220 VanDerWaalsContact C-N 3.31Å; L218-V220 PolarHBondContact O-N 3.46Å; V220-S223 PolarHBondContact O-N 3Å; V220-S223 PolarHBondContact O-OG 3.34Å
221I93.3Very high93.6Very high2 Ų229.6 Ų29.61%0.0116%0.158CC..Hα-helixtrans-71-35.4-174.569.5166.4000112.2E217 L218 S223 F224 C225 F245 Y257 F259E217-I221 PolarHBondContact O-N 2.87Å; E217-I221 VanDerWaalsContact O-N 3.12Å; L218-I221 HydrophobicContact CD1-CD1 4Å; L218-I221 HydrophobicContact CD1-CG1 4.06Å; L218-I221 VanDerWaalsContact O-CG1 3.28Å; L218-I221 WeakPolarHBondContact O-CG1 3.14Å; L218-I221 PolarHBondContact O-N 3.34Å; I221-S223 PolarHBondContact O-N 3.16Å; I221-F224 PolarHBondContact O-N 2.89Å; I221-C225 PolarHBondContact O-N 2.83Å; I221-C225 PolarHBondContact O-SG 3.34Å; I221-F245 HydrophobicContact CD1-CB 3.76Å; I221-F245 HydrophobicContact CD1-CD2 4.08Å; I221-F245 HydrophobicContact CD1-CG 3.89Å; I221-Y257 HydrophobicContact CB-CD1 3.9Å; I221-Y257 HydrophobicContact CB-CD2 4.06Å; I221-Y257 HydrophobicContact CB-CE1 3.88Å; I221-Y257 HydrophobicContact CB-CE2 4.03Å; I221-Y257 HydrophobicContact CB-CG 3.99Å; I221-Y257 HydrophobicContact CD1-CD1 4.35Å; I221-Y257 HydrophobicContact CD1-CD2 3.67Å; I221-Y257 HydrophobicContact CD1-CE2 4.4Å; I221-Y257 HydrophobicContact CD1-CG 3.64Å; I221-Y257 HydrophobicContact CG1-CD2 4.44Å; I221-Y257 HydrophobicContact CG1-CG 4.42Å; I221-Y257 HydrophobicContact CG2-CD1 3.19Å; I221-Y257 HydrophobicContact CG2-CD2 4.24Å; I221-Y257 HydrophobicContact CG2-CE1 3.38Å; I221-Y257 HydrophobicContact CG2-CE2 4.38Å; I221-Y257 HydrophobicContact CG2-CG 3.66Å; I221-F259 HydrophobicContact CD1-CE2 3.95Å; I221-F259 HydrophobicContact CD1-CZ 3.77Å; I221-F259 HydrophobicContact CG1-CZ 4.22Å; I221-F259 HydrophobicContact CG2-CZ 3.9Å
222L94.3Very high93.7Very high7 Ų729.6 Ų29.64%0.03716%0.158CC..Hα-helixtrans-53-43176.4-81.5166.8000112.1L152 I156 L218 F224 C225 E226 I232L152-L222 HydrophobicContact CB-CD2 4.25Å; L152-L222 HydrophobicContact CD2-CD2 4.08Å; L152-L222 HydrophobicContact CG-CD1 4.49Å; L152-L222 HydrophobicContact CG-CD2 4.04Å; I156-L222 HydrophobicContact CB-CD1 3.96Å; I156-L222 HydrophobicContact CG1-CD1 3.91Å; I156-L222 HydrophobicContact CG2-CD1 3.98Å; L218-L222 HydrophobicContact CD1-CD1 4.22Å; L218-L222 HydrophobicContact CD1-CG 4.17Å; L218-L222 HydrophobicContact CG-CD1 4.04Å; L218-L222 HydrophobicContact CG-CG 4.48Å; L218-L222 WeakPolarHBondContact O-CG 3.37Å; L218-L222 PolarHBondContact O-N 3.39Å; L222-F224 PolarHBondContact O-N 2.94Å; L222-C225 PolarHBondContact O-N 2.53Å; L222-C225 VanDerWaalsContact O-N 3.13Å; L222-E226 WeakPolarHBondContact O-CB 3.29Å; L222-E226 WeakPolarHBondContact O-CG 3.34Å; L222-E226 PolarHBondContact O-N 3.35Å; L222-I232 HydrophobicContact CD2-CD1 3.48Å; L222-I232 VanDerWaalsContact CD2-CD1 3.48Å
223S88.7Confident93.8Very high60 Ų6032.8 Ų32.842%0.4217%0.169SC..Hα-helixtrans-62.8-10.2179.374.50000115.3V220 I221V220-S223 PolarHBondContact O-N 3Å; V220-S223 PolarHBondContact O-OG 3.34Å; I221-S223 PolarHBondContact O-N 3.16Å
224F94.1Very high93.9Very high0 Ų032.8 Ų32.80%017%0.169CC..Hα-helixtrans-109.4-40.2168.5176.6-106.7000112.4V12 R15 A16 V51 I221 L222 E226 L227 I228 L253 A255 Y257V12-F224 HydrophobicContact CG1-CE2 3.98Å; V12-F224 HydrophobicContact CG1-CZ 4.38Å; V12-F224 WeakPolarHBondContact O-CE2 3.44Å; R15-F224 HydrophobicContact CB-CD2 4.14Å; A16-F224 HydrophobicContact CB-CD2 4.08Å; A16-F224 HydrophobicContact CB-CE1 4.27Å; A16-F224 HydrophobicContact CB-CE2 3.46Å; A16-F224 VanDerWaalsContact CB-CE2 3.46Å; A16-F224 HydrophobicContact CB-CZ 3.55Å; V51-F224 HydrophobicContact CG1-CE1 4.12Å; V51-F224 HydrophobicContact CG1-CZ 4.12Å; V51-F224 HydrophobicContact CG2-CE1 4.09Å; I221-F224 PolarHBondContact O-N 2.89Å; L222-F224 PolarHBondContact O-N 2.94Å; F224-E226 VanDerWaalsContact C-N 3.32Å; F224-E226 PolarHBondContact O-N 2.74Å; F224-L227 WeakPolarHBondContact O-CB 3.28Å; F224-L227 PolarHBondContact O-N 3.18Å; F224-I228 HydrophobicContact CD1-CD1 4.09Å; F224-I228 HydrophobicContact CD1-CG1 4.38Å; F224-I228 HydrophobicContact CD2-CG2 4.31Å; F224-I228 HydrophobicContact CE1-CD1 3.56Å; F224-I228 HydrophobicContact CE1-CG1 4.14Å; F224-I228 HydrophobicContact CE1-CG2 4.08Å; F224-I228 HydrophobicContact CE2-CG2 3.66Å; F224-I228 HydrophobicContact CZ-CD1 4.11Å; F224-I228 HydrophobicContact CZ-CG1 4.47Å; F224-I228 HydrophobicContact CZ-CG2 3.55Å; F224-I228 PolarHBondContact O-N 2.85Å; F224-L253 HydrophobicContact CZ-CD1 4.38Å; F224-A255 HydrophobicContact CE1-CB 4.1Å; F224-Y257 WeakPolarHBondContact CD1-OH 3.36Å
225C94.4Very high94Very high0 Ų034.2 Ų34.20%017%0.173CC..Hα-helixtrans-55.1-45.2178-64.20000112.3I221 L222 L227 I228 S229 I232 C247I221-C225 PolarHBondContact O-N 2.83Å; I221-C225 PolarHBondContact O-SG 3.34Å; L222-C225 PolarHBondContact O-N 2.53Å; L222-C225 VanDerWaalsContact O-N 3.13Å; C225-L227 PolarHBondContact O-N 2.88Å; C225-L227 VanDerWaalsContact O-N 3.13Å; C225-I228 PolarHBondContact O-N 3.22Å; C225-S229 PolarHBondContact O-N 3.24Å; C225-I232 HydrophobicContact CB-CD1 3.66Å; C225-I232 HydrophobicContact CB-CG1 4.17Å; C225-C247 PolarHBondContact SG-SG 3.45Å
226E92.2Very high94Very high102 Ų10234.3 Ų34.348%0.47717%0.174SC..Hα-helixtrans-58.1-23.9177.7-71.4170.7-178.700113.8A149 L222 F224A149-E226 HydrophobicContact CB-CG 4.07Å; L222-E226 WeakPolarHBondContact O-CB 3.29Å; L222-E226 WeakPolarHBondContact O-CG 3.34Å; L222-E226 PolarHBondContact O-N 3.35Å; F224-E226 VanDerWaalsContact C-N 3.32Å; F224-E226 PolarHBondContact O-N 2.74Å
227L92.1Very high94Very high62 Ų6231.6 Ų31.633%0.32516%0.163SC..Hα-helixtrans-83.9-34.1176.7176.465.8000112.8V12 R15 F224 C225V12-L227 HydrophobicContact CB-CD2 4.36Å; V12-L227 HydrophobicContact CG2-CD2 3.98Å; V12-L227 HydrophobicContact CG2-CG 4.28Å; R15-L227 HydrophobicContact CB-CD2 4.08Å; R15-L227 HydrophobicContact CG-CD2 4.37Å; F224-L227 WeakPolarHBondContact O-CB 3.28Å; F224-L227 PolarHBondContact O-N 3.18Å; C225-L227 PolarHBondContact O-N 2.88Å; C225-L227 VanDerWaalsContact O-N 3.13Å
228I93.1Very high93.9Very high5 Ų537.4 Ų37.43%0.02618%0.184CC..Hα-helixtrans-101.8-17.2-168.562.4155.5000114.3V12 F224 C225 C247 H249 L253 A255V12-I228 HydrophobicContact CG1-CG2 3.75Å; F224-I228 HydrophobicContact CD1-CD1 4.09Å; F224-I228 HydrophobicContact CD1-CG1 4.38Å; F224-I228 HydrophobicContact CD2-CG2 4.31Å; F224-I228 HydrophobicContact CE1-CD1 3.56Å; F224-I228 HydrophobicContact CE1-CG1 4.14Å; F224-I228 HydrophobicContact CE1-CG2 4.08Å; F224-I228 HydrophobicContact CE2-CG2 3.66Å; F224-I228 HydrophobicContact CZ-CD1 4.11Å; F224-I228 HydrophobicContact CZ-CG1 4.47Å; F224-I228 HydrophobicContact CZ-CG2 3.55Å; F224-I228 PolarHBondContact O-N 2.85Å; C225-I228 PolarHBondContact O-N 3.22Å; I228-C247 HydrophobicContact CD1-CB 3.77Å; I228-C247 HydrophobicContact CG1-CB 4.3Å; I228-H249 HydrophobicContact CB-CB 4.44Å; I228-H249 VanDerWaalsContact O-CB 3.28Å; I228-H249 WeakPolarHBondContact O-CB 3.37Å; I228-H249 PolarHBondContact O-CD2 3.3Å; I228-H249 VanDerWaalsContact O-CD2 3.29Å; I228-L253 HydrophobicContact CB-CD1 4.21Å; I228-L253 HydrophobicContact CD1-CD1 3.64Å; I228-L253 HydrophobicContact CG2-CD1 4.13Å; I228-L253 HydrophobicContact CG2-CD2 4.42Å; I228-A255 HydrophobicContact CD1-CB 3.93Å
229S92.4Very high93.8Very high15 Ų1538.9 Ų38.911%0.10519%0.194CC..  trans-156.8137.5-179.1-144.80000111.2C225 M231 T248C225-S229 PolarHBondContact O-N 3.24Å; S229-M231 WeakPolarHBondContact CB-O 3.31Å; S229-M231 PolarHBondContact O-N 3.07Å; S229-M231 PolarHBondContact OG-O 3.43Å; S229-T248 PolarHBondContact OG-O 2.86Å
230P93.6Very high93.7Very high100 Ų10037.6 Ų37.665%0.64920%0.198SC*.SBendtrans-69.8-12.3172.330.7-35.6000112.6S148 A149S148-P230 CarbonylContact C-O 3.55Å; S148-P230 VanDerWaalsContact CA-O 3.24Å; S148-P230 WeakPolarHBondContact CA-O 3.4Å; A149-P230 PolarHBondContact N-O 3.33Å
231M95.6Very high93.7Very high67 Ų6739.5 Ų39.533%0.3320%0.204SC..EExtended strand (participates in β ladder)trans-129.2137.9-172.3-66.5168.2177.400111.5V146 I147 D201 S229V146-M231 HydrophobicContact CG1-CB 3.92Å; V146-M231 HydrophobicContact CG1-CG 4.25Å; V146-M231 HydrophobicContact CG1-SD 4.35Å; I147-M231 WeakPolarHBondContact O-CA 3.36Å; D201-M231 HydrophobicContact CB-CE 4.44Å; S229-M231 WeakPolarHBondContact CB-O 3.31Å; S229-M231 PolarHBondContact O-N 3.07Å; S229-M231 PolarHBondContact OG-O 3.43Å
232I97.1Very high93.8Very high2 Ų240.6 Ų40.61%0.0121%0.211CC..EExtended strand (participates in β ladder)trans-115.8125.4175.6-55.6-174.9000108.1V146 I147 A149 L152 L222 C225 F245V146-I232 WeakPolarHBondContact CA-O 3.43Å; I147-I232 HydrophobicContact CG2-CB 4.37Å; I147-I232 PolarHBondContact N-O 3.33Å; I147-I232 PolarHBondContact O-N 3.34Å; A149-I232 HydrophobicContact CB-CD1 3.79Å; A149-I232 HydrophobicContact CB-CG1 3.79Å; L152-I232 HydrophobicContact CD2-CD1 4.16Å; L152-I232 HydrophobicContact CD2-CG2 4.38Å; L222-I232 HydrophobicContact CD2-CD1 3.48Å; L222-I232 VanDerWaalsContact CD2-CD1 3.48Å; C225-I232 HydrophobicContact CB-CD1 3.66Å; C225-I232 HydrophobicContact CB-CG1 4.17Å; I232-F245 HydrophobicContact CG2-CB 4.44Å; I232-F245 HydrophobicContact CG2-CD1 4.16Å
233R96.8Very high93.9Very high74 Ų7440.3 Ų40.328%0.27921%0.21SC..EExtended strand (participates in β ladder)trans-91.3131.3174.6-50.2-171.816960.97.7109L145 V146 Y235 F245 A246L145-R233 CarbonylContact O-C 3.58Å; L145-R233 WeakPolarHBondContact O-CA 3.47Å; V146-R233 HydrophobicContact CG2-CB 4.48Å; V146-R233 HydrophobicContact CG2-CG 4.01Å; R233-Y235 HydrophobicContact CB-CD2 4.39Å; R233-Y235 HydrophobicContact CB-CE2 3.64Å; R233-F245 CarbonylContact O-C 3.56Å; R233-F245 WeakPolarHBondContact O-CA 3.45Å; R233-A246 HydrophobicContact CB-CB 4.42Å; R233-A246 WeakPolarHBondContact CB-O 3.17Å; R233-A246 PolarHBondContact N-O 3.28Å; R233-A246 PolarHBondContact O-N 2.89Å
234I97.1Very high94.3Very high1 Ų137.5 Ų37.51%0.00519%0.19CC..EExtended strand (participates in β ladder)trans-116.8122.8177.5-47.9179.1000107.4H144 L145 I147 L152 I243 I244 F245H144-I234 WeakPolarHBondContact CA-O 3.49Å; L145-I234 HydrophobicContact CB-CB 4.23Å; L145-I234 PolarHBondContact N-O 3.14Å; L145-I234 PolarHBondContact O-N 3.22Å; I147-I234 HydrophobicContact CG2-CD1 4.12Å; L152-I234 HydrophobicContact CD2-CD1 4.32Å; I234-I243 HydrophobicContact CG2-CD1 3.84Å; I234-I243 HydrophobicContact CG2-CG1 3.98Å; I234-I244 WeakPolarHBondContact CA-O 3.41Å; I234-F245 HydrophobicContact CD1-CD1 4.36Å; I234-F245 HydrophobicContact CD1-CE1 3.94Å; I234-F245 HydrophobicContact CG1-CD1 3.89Å; I234-F245 HydrophobicContact CG1-CE1 3.92Å; I234-F245 HydrophobicContact CG2-CD1 4.38Å; I234-F245 HydrophobicContact CG2-CE1 4.04Å; I234-F245 HydrophobicContact CG2-CZ 4.44Å
235Y96.7Very high94.4Very high39 Ų3937.5 Ų37.515%0.15319%0.19CC..EExtended strand (participates in β ladder)trans-115.2133.6174-56.1-106.2000108.5L138 N143 H144 R233 I244 A246L138-Y235 HydrophobicContact CB-CD1 4.22Å; L138-Y235 HydrophobicContact CB-CE1 4.09Å; L138-Y235 HydrophobicContact CD2-CD1 4.14Å; L138-Y235 HydrophobicContact CD2-CD2 3.79Å; L138-Y235 HydrophobicContact CD2-CE1 4.35Å; L138-Y235 HydrophobicContact CD2-CE2 4.01Å; L138-Y235 HydrophobicContact CD2-CG 3.88Å; N143-Y235 WeakPolarHBondContact O-CA 3.36Å; H144-Y235 HydrophobicContact CB-CD1 4.37Å; H144-Y235 AromaticContact CD2-CD1 3.65Å; H144-Y235 AromaticContact CD2-CE1 3.26Å; H144-Y235 WeakPolarHBondContact CD2-CE1 3.47Å; H144-Y235 AromaticContact CD2-CE2 3.99Å; H144-Y235 AromaticContact CD2-CZ 3.44Å; H144-Y235 VanDerWaalsContact CD2-CZ 3.44Å; H144-Y235 AromaticContact NE2-CE1 3.96Å; H144-Y235 AromaticContact NE2-CZ 3.74Å; R233-Y235 HydrophobicContact CB-CD2 4.39Å; R233-Y235 HydrophobicContact CB-CE2 3.64Å; Y235-I244 PolarHBondContact N-O 2.85Å; Y235-I244 PolarHBondContact O-N 3.07Å; Y235-A246 HydrophobicContact CE2-CB 4.12Å
236C94.6Very high94.5Very high2 Ų237.9 Ų37.91%0.01419%0.193CC..EExtended strand (participates in β ladder)trans-150.2163.2173.653.80000111.7A142 N143 L170 V211 I243A142-C236 PolarHBondContact N-O 2.94Å; N143-C236 PolarHBondContact N-O 2.92Å; N143-C236 PolarHBondContact O-N 3.24Å; L170-C236 VanDerWaalsContact CD1-SG 3.54Å; V211-C236 HydrophobicContact CG1-CB 4.43Å; V211-C236 HydrophobicContact CG2-CB 4.4Å; C236-I243 HydrophobicContact CB-CG1 4.25Å
237D92.3Very high94.7Very high23 Ų2333 Ų3312%0.12317%0.17CC..  trans-133.4-170.2171.1177.924.1000106.1A142 C209 V211 K241A142-D237 HydrophobicContact CB-CB 4.45Å; C209-D237 PolarHBondContact SG-O 2.84Å; V211-D237 WeakPolarHBondContact CG1-O 3.49Å; D237-K241 HydrophobicContact CB-CB 4.07Å; D237-K241 HydrophobicContact CB-CG 4.3Å; D237-K241 WeakPolarHBondContact OD2-CG 3.4Å
238R92Very high94.8Very high144 Ų14432.8 Ų32.854%0.54317%0.172SC..SBendtrans-43.1157175.369.2-173.9177.6-89.915.7115K241R238-K241 HydrophobicContact CG-CG 4.16Å; R238-K241 WeakPolarHBondContact O-CB 3.4Å; R238-K241 PolarHBondContact O-N 3.27Å; R238-K241 VanDerWaalsContact O-N 3.13Å
239P93Very high94.8Very high31 Ų3134.9 Ų34.920%0.20118%0.181CC..THydrogen-bonded Turntrans-59.2143.7179.5-22.737.3000112E210 K241 F262 S264E210-P239 VanDerWaalsContact O-CG 3.23Å; E210-P239 WeakPolarHBondContact O-CG 3.48Å; P239-K241 VanDerWaalsContact C-N 3.32Å; P239-F262 CarbonylContact C-O 3.52Å; P239-F262 VanDerWaalsContact CB-O 3.24Å; P239-F262 WeakPolarHBondContact CB-O 3.34Å; P239-S264 WeakPolarHBondContact CG-OG 3.4Å
240G91.6Very high94.6Very high29 Ų2940.5 Ų40.530%0.29921%0.206SC..THydrogen-bonded Turntrans86.8-15.6-170.800000114.7T261 F262G240-T261 WeakPolarHBondContact CA-OG1 3.36Å; G240-T261 PolarHBondContact N-OG1 3.04Å; G240-F262 PolarHBondContact N-O 2.67Å
241K93Very high94.3Very high65 Ų6540 Ų4028%0.28320%0.201SC..SBendtrans-84148.3165.2-78.4-90.1-159.1163.50110.5E140 D237 R238 P239 T261E140-K241 IonicContact OE2-NZ 2.7Å; D237-K241 HydrophobicContact CB-CB 4.07Å; D237-K241 HydrophobicContact CB-CG 4.3Å; D237-K241 WeakPolarHBondContact OD2-CG 3.4Å; R238-K241 HydrophobicContact CG-CG 4.16Å; R238-K241 WeakPolarHBondContact O-CB 3.4Å; R238-K241 PolarHBondContact O-N 3.27Å; R238-K241 VanDerWaalsContact O-N 3.13Å; P239-K241 VanDerWaalsContact C-N 3.32Å; K241-T261 VanDerWaalsContact O-CG2 3.23Å; K241-T261 WeakPolarHBondContact O-CG2 3.45Å; K241-T261 PolarHBondContact O-OG1 2.6Å
242P94.9Very high94.2Very high25 Ų2539.9 Ų39.916%0.16220%0.197CC..PPolyproline II helixtrans-61.4142179.823.6-32.9000112.5V258 F259 F381P242-V258 HydrophobicContact CB-CG1 3.65Å; P242-V258 HydrophobicContact CG-CG1 4.36Å; P242-F259 WeakPolarHBondContact CA-O 3.3Å; P242-F381 HydrophobicContact CB-CE1 3.98Å; P242-F381 HydrophobicContact CB-CZ 3.83Å; P242-F381 HydrophobicContact CG-CZ 4.48Å
243I96.4Very high94.1Very high0 Ų040 Ų400%020%0.198CC..EExtended strand (participates in β ladder)trans-89.1137.1161.4-174.9170.3000108.6I168 V211 F213 I234 C236 F245 F259 T261I168-I243 HydrophobicContact CD1-CD1 4.16Å; V211-I243 HydrophobicContact CG2-CD1 4.09Å; F213-I243 HydrophobicContact CB-CG2 3.93Å; F213-I243 HydrophobicContact CD1-CD1 3.89Å; F213-I243 HydrophobicContact CD1-CG2 3.93Å; F213-I243 HydrophobicContact CD2-CG2 4.21Å; F213-I243 HydrophobicContact CE1-CD1 3.56Å; F213-I243 HydrophobicContact CG-CG2 3.74Å; F213-I243 HydrophobicContact CZ-CD1 4.01Å; I234-I243 HydrophobicContact CG2-CD1 3.84Å; I234-I243 HydrophobicContact CG2-CG1 3.98Å; C236-I243 HydrophobicContact CB-CG1 4.25Å; I243-F245 HydrophobicContact CD1-CE1 4.48Å; I243-F245 HydrophobicContact CD1-CE2 3.92Å; I243-F245 HydrophobicContact CD1-CZ 3.63Å; I243-F245 HydrophobicContact CG1-CE2 3.86Å; I243-F245 HydrophobicContact CG1-CZ 4.04Å; I243-F245 HydrophobicContact CG2-CE2 4.04Å; I243-F259 HydrophobicContact CG2-CB 3.92Å; I243-F259 PolarHBondContact N-O 2.71Å; I243-F259 PolarHBondContact O-N 2.75Å; I243-T261 HydrophobicContact CB-CG2 3.9Å; I243-T261 HydrophobicContact CG2-CG2 3.84Å
244I97.2Very high94.1Very high2 Ų237.4 Ų37.41%0.0119%0.191CC..EExtended strand (participates in β ladder)trans-125.6120.7-172.8-49.3161.7000109.8Y136 L138 I234 Y235 Y257 V258Y136-I244 HydrophobicContact CD2-CD1 3.76Å; Y136-I244 HydrophobicContact CG-CD1 4.18Å; L138-I244 HydrophobicContact CD2-CB 4.34Å; L138-I244 HydrophobicContact CD2-CD1 3.91Å; L138-I244 HydrophobicContact CD2-CG2 3.86Å; I234-I244 WeakPolarHBondContact CA-O 3.41Å; Y235-I244 PolarHBondContact N-O 2.85Å; Y235-I244 PolarHBondContact O-N 3.07Å; I244-Y257 CarbonylContact C-O 3.59Å; I244-Y257 VanDerWaalsContact CA-O 3.27Å; I244-Y257 WeakPolarHBondContact CA-O 3.18Å; I244-V258 HydrophobicContact CG1-CG1 4.37Å; I244-V258 HydrophobicContact CG1-CG2 4.37Å; I244-V258 HydrophobicContact CG2-CG2 4.15Å
245F97.1Very high94.1Very high0 Ų037.4 Ų37.40%019%0.191CC..EExtended strand (participates in β ladder)trans-101.3129172.8-58.3-95.4000109.2F213 L218 I221 I232 R233 I234 I243 R256 Y257 F259F213-F245 HydrophobicContact CD2-CE2 4.45Å; F213-F245 HydrophobicContact CE2-CE2 4.02Å; F213-F245 AromaticContact CE2-CZ 3.72Å; F213-F245 HydrophobicContact CE2-CZ 3.72Å; F213-F245 HydrophobicContact CZ-CE2 4.38Å; F213-F245 AromaticContact CZ-CZ 3.73Å; F213-F245 HydrophobicContact CZ-CZ 3.73Å; L218-F245 HydrophobicContact CD1-CD1 4.03Å; L218-F245 HydrophobicContact CD1-CE1 3.72Å; L218-F245 HydrophobicContact CD1-CE2 4.38Å; L218-F245 HydrophobicContact CD1-CG 4.49Å; L218-F245 HydrophobicContact CD1-CZ 3.92Å; L218-F245 HydrophobicContact CD2-CE1 4.43Å; L218-F245 HydrophobicContact CD2-CZ 4.3Å; I221-F245 HydrophobicContact CD1-CB 3.76Å; I221-F245 HydrophobicContact CD1-CD2 4.08Å; I221-F245 HydrophobicContact CD1-CG 3.89Å; I232-F245 HydrophobicContact CG2-CB 4.44Å; I232-F245 HydrophobicContact CG2-CD1 4.16Å; R233-F245 CarbonylContact O-C 3.56Å; R233-F245 WeakPolarHBondContact O-CA 3.45Å; I234-F245 HydrophobicContact CD1-CD1 4.36Å; I234-F245 HydrophobicContact CD1-CE1 3.94Å; I234-F245 HydrophobicContact CG1-CD1 3.89Å; I234-F245 HydrophobicContact CG1-CE1 3.92Å; I234-F245 HydrophobicContact CG2-CD1 4.38Å; I234-F245 HydrophobicContact CG2-CE1 4.04Å; I234-F245 HydrophobicContact CG2-CZ 4.44Å; I243-F245 HydrophobicContact CD1-CE1 4.48Å; I243-F245 HydrophobicContact CD1-CE2 3.92Å; I243-F245 HydrophobicContact CD1-CZ 3.63Å; I243-F245 HydrophobicContact CG1-CE2 3.86Å; I243-F245 HydrophobicContact CG1-CZ 4.04Å; I243-F245 HydrophobicContact CG2-CE2 4.04Å; F245-R256 WeakPolarHBondContact O-CA 3.4Å; F245-Y257 HydrophobicContact CB-CD2 4.44Å; F245-Y257 PolarHBondContact N-O 2.92Å; F245-Y257 PolarHBondContact O-N 2.78Å; F245-F259 AromaticContact CD2-CD2 3.96Å; F245-F259 HydrophobicContact CD2-CD2 3.96Å; F245-F259 AromaticContact CD2-CE2 3.96Å; F245-F259 HydrophobicContact CD2-CE2 3.96Å; F245-F259 AromaticContact CE2-CD2 3.67Å; F245-F259 HydrophobicContact CE2-CD2 3.67Å; F245-F259 AromaticContact CE2-CE2 3.91Å; F245-F259 HydrophobicContact CE2-CE2 3.91Å
246A96.2Very high94Very high7 Ų740.4 Ų40.46%0.05820%0.202CC..EExtended strand (participates in β ladder)trans-133.7132-178.600000112.9R233 Y235 A255 R256R233-A246 HydrophobicContact CB-CB 4.42Å; R233-A246 WeakPolarHBondContact CB-O 3.17Å; R233-A246 PolarHBondContact N-O 3.28Å; R233-A246 PolarHBondContact O-N 2.89Å; Y235-A246 HydrophobicContact CE2-CB 4.12Å; A246-A255 WeakPolarHBondContact CA-O 3.34Å; A246-R256 HydrophobicContact CB-CG 4.21Å
247C95.4Very high94.1Very high0 Ų040.3 Ų40.30%020%0.202CC..EExtended strand (participates in β ladder)trans-130.3148.4179.8-620000110.3C225 I228 S254 A255C225-C247 PolarHBondContact SG-SG 3.45Å; I228-C247 HydrophobicContact CD1-CB 3.77Å; I228-C247 HydrophobicContact CG1-CB 4.3Å; C247-S254 CarbonylContact O-C 3.53Å; C247-S254 WeakPolarHBondContact O-CA 3.31Å; C247-A255 PolarHBondContact N-O 2.85Å; C247-A255 PolarHBondContact O-N 2.72Å
248T94.6Very high94.4Very high58 Ų5839.5 Ų39.536%0.35620%0.197SC..EExtended strand (participates in β ladder)trans-141.4132.9-178.8-52.70000109.9S229 E250S229-T248 PolarHBondContact OG-O 2.86Å; T248-E250 WeakPolarHBondContact CG2-O 3.43Å
249H92.8Very high94.6Very high49 Ų4932.7 Ų32.723%0.22717%0.172CC..EExtended strand (participates in β ladder)trans-102.599.3167.8-167.1-56000108.6I228 T251 R252 L253I228-H249 HydrophobicContact CB-CB 4.44Å; I228-H249 VanDerWaalsContact O-CB 3.28Å; I228-H249 WeakPolarHBondContact O-CB 3.37Å; I228-H249 PolarHBondContact O-CD2 3.3Å; I228-H249 VanDerWaalsContact O-CD2 3.29Å; H249-T251 PolarHBondContact O-N 2.86Å; H249-R252 PolarHBondContact CE1-NH2 3.28Å; H249-R252 VanDerWaalsContact CE1-NH2 3.33Å; H249-R252 PolarHBondContact O-N 2.85Å; H249-L253 HydrophobicContact CB-CD1 4.38Å; H249-L253 HydrophobicContact CB-CD2 4.45Å; H249-L253 HydrophobicContact CB-CG 3.97Å; H249-L253 PolarHBondContact N-O 3.37Å; H249-L253 PolarHBondContact O-N 3.22Å
250E88.5Confident94.7Very high133 Ų13331.2 Ų31.262%0.62116%0.162SC*.THydrogen-bonded Turntrans51.1-124.6176.2-52.3160.3140.400111.9T248 R252T248-E250 WeakPolarHBondContact CG2-O 3.43Å; E250-R252 IonicContact OE2-CZ 3.83Å; E250-R252 IonicContact OE2-NE 3.75Å; E250-R252 PolarHBondContact OE2-NE 3.44Å; E250-R252 IonicContact OE2-NH2 2.75Å
251T86.8Confident94.8Very high90 Ų9029.8 Ų29.855%0.55215%0.148SC*.THydrogen-bonded Turntrans-100.9-2.5171.355.20000113.1R54 H249R54-T251 VanDerWaalsContact CD-O 3.24Å; R54-T251 WeakPolarHBondContact CD-O 3.29Å; R54-T251 PolarHBondContact NE-O 3.35Å; R54-T251 PolarHBondContact NH1-O 3.45Å; H249-T251 PolarHBondContact O-N 2.86Å
252R93.7Very high94.8Very high63 Ų6327.7 Ų27.724%0.23814%0.139CC..THydrogen-bonded Turntrans-87-44.2-164-56.4-160.9-70.7146.62.5113.7E9 R54 V56 H249 E250E9-R252 IonicContact OE1-CZ 3.85Å; E9-R252 IonicContact OE1-NH1 2.71Å; E9-R252 PolarHBondContact OE1-NH1 3.16Å; E9-R252 IonicContact OE1-NH2 2.98Å; R54-R252 PolarHBondContact N-O 3.12Å; V56-R252 HydrophobicContact CG2-CG 4.25Å; H249-R252 PolarHBondContact CE1-NH2 3.28Å; H249-R252 VanDerWaalsContact CE1-NH2 3.33Å; H249-R252 PolarHBondContact O-N 2.85Å; E250-R252 IonicContact OE2-CZ 3.83Å; E250-R252 IonicContact OE2-NE 3.75Å; E250-R252 PolarHBondContact OE2-NE 3.44Å; E250-R252 IonicContact OE2-NH2 2.75Å
253L95.7Very high94.5Very high5 Ų528.3 Ų28.33%0.02614%0.143CC..EExtended strand (participates in β ladder)trans-148.5155.8174.872.693.4000112.7V12 V51 H52 F53 F57 F224 I228 H249V12-L253 HydrophobicContact CG1-CD2 3.84Å; V51-L253 HydrophobicContact CG1-CD1 4.45Å; H52-L253 CarbonylContact O-C 3.53Å; H52-L253 WeakPolarHBondContact O-CA 3.36Å; H52-L253 WeakPolarHBondContact O-CB 3.45Å; F53-L253 HydrophobicContact CD1-CB 3.95Å; F53-L253 HydrophobicContact CD1-CD2 4.08Å; F53-L253 HydrophobicContact CE1-CB 4.49Å; F53-L253 HydrophobicContact CE1-CD2 4.02Å; F57-L253 HydrophobicContact CD2-CD2 3.85Å; F57-L253 HydrophobicContact CE2-CD2 3.56Å; F57-L253 HydrophobicContact CZ-CD2 4.31Å; F224-L253 HydrophobicContact CZ-CD1 4.38Å; I228-L253 HydrophobicContact CB-CD1 4.21Å; I228-L253 HydrophobicContact CD1-CD1 3.64Å; I228-L253 HydrophobicContact CG2-CD1 4.13Å; I228-L253 HydrophobicContact CG2-CD2 4.42Å; H249-L253 HydrophobicContact CB-CD1 4.38Å; H249-L253 HydrophobicContact CB-CD2 4.45Å; H249-L253 HydrophobicContact CB-CG 3.97Å; H249-L253 PolarHBondContact N-O 3.37Å; H249-L253 PolarHBondContact O-N 3.22Å
254S96.1Very high93.8Very high20 Ų2031.6 Ų31.614%0.1417%0.165CC..EExtended strand (participates in β ladder)trans-135.1149.5169.366.50000111.5V51 H52 C247V51-S254 WeakPolarHBondContact CA-O 3.46Å; H52-S254 PolarHBondContact N-O 3.35Å; H52-S254 PolarHBondContact O-N 3.23Å; C247-S254 CarbonylContact O-C 3.53Å; C247-S254 WeakPolarHBondContact O-CA 3.31Å
255A96.9Very high92.2Very high1 Ų139.3 Ų39.31%0.00821%0.207CC..EExtended strand (participates in β ladder)trans-127.3136.6178.700000110.1S50 V51 F224 I228 A246 C247 Y257S50-A255 CarbonylContact O-C 3.57Å; S50-A255 WeakPolarHBondContact O-CA 3.23Å; V51-A255 HydrophobicContact CG1-CB 4.47Å; V51-A255 HydrophobicContact CG2-CB 4.06Å; F224-A255 HydrophobicContact CE1-CB 4.1Å; I228-A255 HydrophobicContact CD1-CB 3.93Å; A246-A255 WeakPolarHBondContact CA-O 3.34Å; C247-A255 PolarHBondContact N-O 2.85Å; C247-A255 PolarHBondContact O-N 2.72Å; A255-Y257 HydrophobicContact CB-CE2 3.72Å
256R96.2Very high89.8Confident102 Ų10243 Ų4339%0.38525%0.245SC..EExtended strand (participates in β ladder)trans-132135.4175.6-66.8-176.4-180131.6-2.2110A49 S50 Y136 F245 A246A49-R256 WeakPolarHBondContact CA-O 3.23Å; S50-R256 PolarHBondContact N-O 2.68Å; S50-R256 PolarHBondContact O-N 3.4Å; Y136-R256 WeakPolarHBondContact OH-CD 3.36Å; F245-R256 WeakPolarHBondContact O-CA 3.4Å; A246-R256 HydrophobicContact CB-CG 4.21Å
257Y96.8Very high86.8Confident0 Ų046.2 Ų46.20%027%0.267CS..EExtended strand (participates in β ladder)trans-129.1126.1-179.7-54-83.5000108.1F48 A49 I221 F224 I244 F245 A255F48-Y257 WeakPolarHBondContact O-CA 3.22Å; A49-Y257 HydrophobicContact CB-CD1 3.35Å; A49-Y257 HydrophobicContact CB-CE1 3.64Å; A49-Y257 HydrophobicContact CB-CG 4.44Å; I221-Y257 HydrophobicContact CB-CD1 3.9Å; I221-Y257 HydrophobicContact CB-CD2 4.06Å; I221-Y257 HydrophobicContact CB-CE1 3.88Å; I221-Y257 HydrophobicContact CB-CE2 4.03Å; I221-Y257 HydrophobicContact CB-CG 3.99Å; I221-Y257 HydrophobicContact CD1-CD1 4.35Å; I221-Y257 HydrophobicContact CD1-CD2 3.67Å; I221-Y257 HydrophobicContact CD1-CE2 4.4Å; I221-Y257 HydrophobicContact CD1-CG 3.64Å; I221-Y257 HydrophobicContact CG1-CD2 4.44Å; I221-Y257 HydrophobicContact CG1-CG 4.42Å; I221-Y257 HydrophobicContact CG2-CD1 3.19Å; I221-Y257 HydrophobicContact CG2-CD2 4.24Å; I221-Y257 HydrophobicContact CG2-CE1 3.38Å; I221-Y257 HydrophobicContact CG2-CE2 4.38Å; I221-Y257 HydrophobicContact CG2-CG 3.66Å; F224-Y257 WeakPolarHBondContact CD1-OH 3.36Å; I244-Y257 CarbonylContact C-O 3.59Å; I244-Y257 VanDerWaalsContact CA-O 3.27Å; I244-Y257 WeakPolarHBondContact CA-O 3.18Å; F245-Y257 HydrophobicContact CB-CD2 4.44Å; F245-Y257 PolarHBondContact N-O 2.92Å; F245-Y257 PolarHBondContact O-N 2.78Å; A255-Y257 HydrophobicContact CB-CE2 3.72Å
258V96.8Very high83.5Confident6 Ų651 Ų514%0.03630%0.3CS..EExtended strand (participates in β ladder)trans-123110.9-172.4-177.20000107S47 F48 Y136 P242 I244S47-V258 WeakPolarHBondContact CA-O 3Å; F48-V258 HydrophobicContact CB-CB 4.48Å; F48-V258 HydrophobicContact CD1-CB 4.33Å; F48-V258 HydrophobicContact CD1-CG2 4.11Å; F48-V258 PolarHBondContact N-O 3.47Å; F48-V258 PolarHBondContact O-N 2.87Å; Y136-V258 HydrophobicContact CD1-CG1 4.41Å; Y136-V258 HydrophobicContact CD1-CG2 3.75Å; Y136-V258 HydrophobicContact CD2-CG2 4.38Å; Y136-V258 HydrophobicContact CE1-CG2 3.73Å; Y136-V258 HydrophobicContact CE2-CG2 4.34Å; Y136-V258 HydrophobicContact CG-CG2 4.1Å; P242-V258 HydrophobicContact CB-CG1 3.65Å; P242-V258 HydrophobicContact CG-CG1 4.36Å; I244-V258 HydrophobicContact CG1-CG1 4.37Å; I244-V258 HydrophobicContact CG1-CG2 4.37Å; I244-V258 HydrophobicContact CG2-CG2 4.15Å
259F96.4Very high80.5Confident0 Ų055 Ų550%032%0.318CS..EExtended strand (participates in β ladder)trans-115.4146.4-175.6-57.3-25.6000111.8L23 F213 E217 L218 I221 P242 I243 F245L23-F259 HydrophobicContact CD1-CE1 4.41Å; L23-F259 HydrophobicContact CD2-CE1 4.45Å; F213-F259 HydrophobicContact CD2-CD2 4.04Å; E217-F259 HydrophobicContact CB-CE1 3.97Å; E217-F259 HydrophobicContact CB-CE2 4.07Å; E217-F259 HydrophobicContact CB-CZ 3.7Å; L218-F259 HydrophobicContact CB-CE2 4.28Å; I221-F259 HydrophobicContact CD1-CE2 3.95Å; I221-F259 HydrophobicContact CD1-CZ 3.77Å; I221-F259 HydrophobicContact CG1-CZ 4.22Å; I221-F259 HydrophobicContact CG2-CZ 3.9Å; P242-F259 WeakPolarHBondContact CA-O 3.3Å; I243-F259 HydrophobicContact CG2-CB 3.92Å; I243-F259 PolarHBondContact N-O 2.71Å; I243-F259 PolarHBondContact O-N 2.75Å; F245-F259 AromaticContact CD2-CD2 3.96Å; F245-F259 HydrophobicContact CD2-CD2 3.96Å; F245-F259 AromaticContact CD2-CE2 3.96Å; F245-F259 HydrophobicContact CD2-CE2 3.96Å; F245-F259 AromaticContact CE2-CD2 3.67Å; F245-F259 HydrophobicContact CE2-CD2 3.67Å; F245-F259 AromaticContact CE2-CE2 3.91Å; F245-F259 HydrophobicContact CE2-CE2 3.91Å
260A95.1Very high77.5Confident0 Ų058.3 Ų58.30%035%0.345CS..PPolyproline II helixtrans-66131.8171.600000112.4S46 F213 R377 F381S46-A260 VanDerWaalsContact O-CB 3.29Å; S46-A260 WeakPolarHBondContact O-CB 3.21Å; S46-A260 PolarHBondContact O-N 2.86Å; F213-A260 VanDerWaalsContact CB-O 3.26Å; F213-A260 WeakPolarHBondContact CB-O 3.39Å; A260-R377 HydrophobicContact CB-CB 4.06Å; A260-R377 HydrophobicContact CB-CG 4.08Å; A260-F381 VanDerWaalsContact CA-CE2 3.43Å; A260-F381 VanDerWaalsContact CA-CZ 3.43Å; A260-F381 HydrophobicContact CB-CD1 4.23Å; A260-F381 HydrophobicContact CB-CD2 3.38Å; A260-F381 HydrophobicContact CB-CE1 4.21Å; A260-F381 HydrophobicContact CB-CE2 3.4Å; A260-F381 VanDerWaalsContact CB-CE2 3.4Å; A260-F381 HydrophobicContact CB-CG 3.87Å; A260-F381 HydrophobicContact CB-CZ 3.85Å
261T95.2Very high74.6Confident0 Ų059.4 Ų59.40%036%0.355CS..BIsolated β-bridgetrans-98.9153.6162.968.90000109.7V211 T212 F213 G240 K241 I243V211-T261 HydrophobicContact CB-CG2 3.83Å; V211-T261 HydrophobicContact CG1-CG2 4.04Å; T212-T261 CarbonylContact O-C 3.46Å; T212-T261 WeakPolarHBondContact O-CA 3.43Å; F213-T261 HydrophobicContact CB-CG2 4.44Å; G240-T261 WeakPolarHBondContact CA-OG1 3.36Å; G240-T261 PolarHBondContact N-OG1 3.04Å; K241-T261 VanDerWaalsContact O-CG2 3.23Å; K241-T261 WeakPolarHBondContact O-CG2 3.45Å; K241-T261 PolarHBondContact O-OG1 2.6Å; I243-T261 HydrophobicContact CB-CG2 3.9Å; I243-T261 HydrophobicContact CG2-CG2 3.84Å
262F91.9Very high72.1Confident21 Ų2159.3 Ų59.39%0.09236%0.358CS..PPolyproline II helixtrans-71.6149.5166.7-76.2-86000111E165 F182 T212 P239 G240 I376 R377E165-F262 WeakPolarHBondContact OE2-CE2 3.4Å; F182-F262 HydrophobicContact CE1-CE1 4.47Å; F182-F262 HydrophobicContact CE1-CZ 4.4Å; F182-F262 HydrophobicContact CZ-CD2 4.49Å; F182-F262 HydrophobicContact CZ-CE1 4.16Å; F182-F262 AromaticContact CZ-CE2 3.87Å; F182-F262 HydrophobicContact CZ-CE2 3.87Å; F182-F262 AromaticContact CZ-CZ 3.68Å; F182-F262 HydrophobicContact CZ-CZ 3.68Å; T212-F262 HydrophobicContact CG2-CD2 3.96Å; T212-F262 PolarHBondContact O-N 3.12Å; P239-F262 CarbonylContact C-O 3.52Å; P239-F262 VanDerWaalsContact CB-O 3.24Å; P239-F262 WeakPolarHBondContact CB-O 3.34Å; G240-F262 PolarHBondContact N-O 2.67Å; F262-I376 HydrophobicContact CD1-CG2 4.2Å; F262-I376 HydrophobicContact CE1-CB 4.12Å; F262-I376 HydrophobicContact CE1-CG2 3.85Å; F262-R377 HydrophobicContact CE1-CG 4.42Å; F262-R377 HydrophobicContact CE2-CG 4.33Å; F262-R377 HydrophobicContact CZ-CG 4.01Å
263P89Confident69.4Low38 Ų3863.9 Ų63.925%0.24738%0.382CS..PPolyproline II helixtrans-73.1161.4169.135.4-34.9000109.4L380P263-L380 HydrophobicContact CG-CD1 4.24Å; P263-L380 HydrophobicContact CG-CD2 4.21Å
264S80.6Confident66.2Low68 Ų6875.4 Ų75.448%0.47643%0.425SS..PPolyproline II helixtrans-66.8140.1170-53.10000110.3P239 G266 S267P239-S264 WeakPolarHBondContact CG-OG 3.4Å; S264-G266 PolarHBondContact O-N 2.94Å; S264-S267 PolarHBondContact O-N 2.9Å; S264-S267 PolarHBondContact O-OG 2.92Å
265D64.5Low63.3Low165 Ų16578.5 Ų78.588%0.88245%0.447SS*.THydrogen-bonded Turntrans-61.5-8-179.1-61.3-59.1000114.6S267D265-S267 VanDerWaalsContact C-N 3.29Å; D265-S267 PolarHBondContact O-N 2.88Å
266G46Very low60.1Low78 Ų7886.4 Ų86.480%0.80448%0.484SS*.THydrogen-bonded Turntrans-69.3-15.5169.800000115.2S264 S268S264-G266 PolarHBondContact O-N 2.94Å; G266-S268 PolarHBondContact O-N 2.67Å
267S33.7Very low57Low73 Ų7388 Ų8851%0.5151%0.509SS..SBendtrans-90.283.2172.468.60000111.1S264 D265 L269S264-S267 PolarHBondContact O-N 2.9Å; S264-S267 PolarHBondContact O-OG 2.92Å; D265-S267 VanDerWaalsContact C-N 3.29Å; D265-S267 PolarHBondContact O-N 2.88Å; S267-L269 PolarHBondContact O-N 3.08Å
268S26Very low53.9Low100 Ų10092.2 Ų92.270%0.69953%0.531SS*.  trans-54.9124.4167.859.60000110G266G266-S268 PolarHBondContact O-N 2.67Å
269L32.4Very low50.7Low142 Ų142101.5 Ų101.574%0.74357%0.566SS**  trans-54.9142.7162.1-73.181.3000107.8S267 N271S267-L269 PolarHBondContact O-N 3.08Å; L269-N271 PolarHBondContact O-N 3.21Å
270P28.7Very low47.6Very low120 Ų120112.7 Ų112.778%0.77961%0.608SS**  trans-58.8112.5176.124.1-32.8000108.9S272P270-S272 PolarHBondContact O-N 3.4Å
271N27.8Very low45Very low156 Ų156121 Ų12183%0.83465%0.652SS**  trans-67.577.7179.1-98.8-38.6000109.6L269 Q273L269-N271 PolarHBondContact O-N 3.21Å; N271-Q273 PolarHBondContact O-N 3.3Å
272S35Very low41.9Very low88 Ų88126.6 Ų126.662%0.61569%0.691SS**  trans-69.3102.2179.8-1650000109.4P270P270-S272 PolarHBondContact O-N 3.4Å
273Q36.4Very low39.4Very low158 Ų158130.9 Ų130.974%0.73872%0.723SS**  trans6066.9161-58.7-168.124.400115.7N271 S275N271-Q273 PolarHBondContact O-N 3.3Å; Q273-S275 WeakPolarHBondContact CB-OG 3.5Å; Q273-S275 PolarHBondContact O-N 2.91Å
274R28.6Very low36.8Very low247 Ų247133.8 Ų133.893%0.93274%0.744SS**  trans-71.757.2149.5-160.2-179.3-163.4177.66.4110.1
275S34.7Very low34.9Very low85 Ų85142.1 Ų142.159%0.59477%0.765SS**  trans-71.1135.8-173.3-66.40000111.6Q273 C277Q273-S275 WeakPolarHBondContact CB-OG 3.5Å; Q273-S275 PolarHBondContact O-N 2.91Å; S275-C277 PolarHBondContact O-N 2.63Å
276E30.8Very low33.6Very low168 Ų168140.6 Ų140.679%0.78576%0.762SS**  trans-74.9117.2-174.3-62.9-17589.800112.7N278E276-N278 HydrophobicContact CB-CB 4.35Å; E276-N278 PolarHBondContact OE1-ND2 3.03Å
277C31.6Very low33.3Very low135 Ų135142.7 Ų142.791%0.91276%0.761SS**  trans-108.775.5153.9-162.60000109.1S275S275-C277 PolarHBondContact O-N 2.63Å
278N29.9Very low33.5Very low89 Ų89145.5 Ų145.548%0.47678%0.775SS.*  trans-93.6111.5-168.2-159.9-22.2000110.5E276E276-N278 HydrophobicContact CB-CB 4.35Å; E276-N278 PolarHBondContact OE1-ND2 3.03Å
279R30.3Very low34.1Very low200 Ų200145.8 Ų145.876%0.75578%0.775SS**  trans61.9119.6169.8-67.1164.3-85.2-177.3-4.8117.7
280R31.6Very low34.3Very low235 Ų235146.8 Ų146.889%0.88778%0.78SS**  -174.2141.1122.7-99.7151.2-153.2-1314.2115.4
281L39.4Very low34.8Very low176 Ų176148.9 Ų148.992%0.92178%0.78SS**  trans71.5122.1150.8-65.6163.1000120.2
282S31.5Very low35.3Very low117 Ų117148.6 Ų148.682%0.81877%0.773SS**  trans-123.9131-179.653.70000111.9
283S38.2Very low35.5Very low111 Ų111150.2 Ų150.278%0.77677%0.773SS**  trans-164.8114.1157.3490000108.2
284S34.3Very low35.5Very low98 Ų98147.4 Ų147.469%0.68577%0.771SS**  74.1103.175840000115.2
285R40.6Very low35.9Very low243 Ų243141.2 Ų141.292%0.91776%0.761SS**  176.7135.2118.5-92.5155.3-172.8-105.60113.6
286T38.7Very low36.1Very low133 Ų133144.8 Ų144.882%0.81677%0.773SS**  trans-96.2-173.8166.645.90000108.6
287P38.1Very low36.4Very low122 Ų122141.5 Ų141.579%0.79277%0.768SS**  cis-147.2-174.320.443.7-21000119.6
288V38.7Very low36.6Very low133 Ų133140.2 Ų140.281%0.80677%0.767SS**  trans-98161.6173.7-133.20000110.9
289P38.9Very low36.8Very low106 Ų106139.2 Ų139.269%0.68878%0.778SS**  -160.8160.1104.740.9-21.9000119.8
290L36.7Very low37Very low163 Ų163137.9 Ų137.985%0.85378%0.78SS**  trans68.2153.1143.1-71.2162.2000120.7
291Q39.8Very low37Very low164 Ų164133 Ų13377%0.76677%0.772SS**  cis-128.1-162.313.7-59.6176.14.300111.5
292H38.3Very low36.7Very low150 Ų150131.1 Ų131.169%0.69476%0.762SS**  cis-154-169.16.6-161.6-111.9000114
293I38.9Very low36.8Very low121 Ų121133.4 Ų133.462%0.62176%0.76SS**  trans-96.2126.5-168.8-75.2167.2000112.7
294S35Very low36.3Very low100 Ų100133.2 Ų133.270%0.69976%0.758SS**  89163.492.4-43.50000115.4
295T37Very low36.3Very low116 Ų116136.3 Ų136.371%0.71277%0.767SS**  cis-166.1156.828.9-9.10000112.9
296L39.3Very low35.7Very low161 Ų161131.8 Ų131.884%0.84376%0.761SS**  trans66.7153.8153-64.2166.8000119.5
297S38.5Very low35.5Very low98 Ų98131.8 Ų131.869%0.68576%0.761SS**  cis-167.8142.2-11.3480000115.5
298A34Very low35.1Very low108 Ų108131.4 Ų131.489%0.89376%0.756SS**  trans66.8152.6137.500000124.4
299G35Very low34.8Very low68 Ų68133.4 Ų133.470%0.70176%0.762SS**  trans96.4104.417300000114.2
300E33.6Very low34.2Very low173 Ų173133.2 Ų133.281%0.80876%0.758SS**  cis113.7140.818.5-75.1-160.6141.600113.1
301N32.8Very low34Very low132 Ų132132.5 Ų132.571%0.70676%0.755SS**  trans71.2161.2165-56.1-49.6000119.3
302L32.8Very low33.6Very low137 Ų137131.9 Ų131.972%0.71775%0.75SS**  -173.1164.5-54.8-117.8165.4000108.4
303Q33.5Very low33.2Very low165 Ų165131.3 Ų131.377%0.77175%0.747SS**  trans65.7130.8170.1-66155.1-22.200115.4
304S28.5Very low32.9Very low106 Ų106135.1 Ų135.174%0.74176%0.76SS**  cis78.1111.431.284.80000114.9
305D33.5Very low32.6Very low163 Ų163137.7 Ų137.787%0.87277%0.766SS**  trans-151.2149.1153.5-134-19.8000110.7
306D29.3Very low32.8Very low148 Ų148136.4 Ų136.479%0.79176%0.759SS**  trans-92.7168.5-177-80.7-63.5000111.9
307T33.8Very low32.5Very low134 Ų134136.7 Ų136.782%0.82276%0.761SS**  172.6119.1117-73.20000113.7
308V28.7Very low32Very low114 Ų114137.9 Ų137.969%0.69177%0.765SS**  trans-41.6146.6162.7173.20000115.3V310V308-V310 HydrophobicContact CG1-CG2 4.04Å
309L32.8Very low31.9Very low175 Ų175140.2 Ų140.292%0.91676%0.76SS**  trans-153.2156.9136.4-111.1174000112.8
310V26.7Very low31.4Very low102 Ų102142.1 Ų142.162%0.61876%0.763SS**  trans-132.4144.2-161.2171.50000111.8V308V308-V310 HydrophobicContact CG1-CG2 4.04Å
311N32Very low31.4Very low148 Ų148139 Ų13979%0.79176%0.76SS**  trans-157.3133.6144.5-88.2-47.7000108.3
312K31.1Very low31.1Very low150 Ų150144.2 Ų144.265%0.65277%0.77SS**  60.6132.865.2-89.6-175.1169.8-88.30112.8
313E30.1Very low30.8Very low138 Ų138142.3 Ų142.365%0.64577%0.767SS**  cis-170.5144.1-1.1-167.4155.2-125.100110.4
314K33.2Very low30.5Very low201 Ų201139 Ų13987%0.87476%0.758SS**  trans156.8135.7136.4-86.2164.3-177177.60114.4
315N29.1Very low30.4Very low155 Ų155141.3 Ų141.383%0.82976%0.761SS**  trans-106.7-173.7171.4-133.41.6000107.4
316P39.8Very low30.1Very low89 Ų89142.1 Ų142.158%0.57876%0.757SS**  cis-132.7-177.1-1241-24.7000114
317N33.5Very low30Very low166 Ų166143.4 Ų143.489%0.88876%0.759SS**  -156.4154.7126.2-109.4-30.3000111.5
318V27.6Very low29.8Very low124 Ų124145.9 Ų145.975%0.75276%0.761SS**  trans-115.9128-167.1177.50000111.3
319I32.2Very low29.8Very low156 Ų156147.4 Ų147.480%0.877%0.765SS**  trans-130.9136.1156.2-62.3-177.7000107.2
320S24.5Very low29.6Very low109 Ų109146.2 Ų146.276%0.76276%0.76SS**  trans-109.196-171.9164.30000111.3
321S33.1Very low30Very low106 Ų106150 Ų15074%0.74177%0.77SS**  trans-102.2125.2169.7-56.70000110.1C323S321-C323 PolarHBondContact O-N 3.13Å
322R26.7Very low29.8Very low242 Ų242149.9 Ų149.991%0.91377%0.77SS**  trans-72.2119.6176.6-76.1179.8172.2174.4-3.5109.7
323C26.3Very low29.8Very low98 Ų98148.6 Ų148.666%0.66278%0.775SS**  trans-104.8117.3168.4-1700000108.7S321S321-C323 PolarHBondContact O-N 3.13Å
324T28.5Very low29.8Very low95 Ų95150.1 Ų150.158%0.58378%0.782SS**  trans-97.5113.8178.445.70000110.5F326T324-F326 HydrophobicContact CG2-CE2 4.25Å
325L25.6Very low29.6Very low154 Ų154147.1 Ų147.181%0.80677%0.774SS**  trans-87.5121.6167.1-69.2167.5000108.6
326F28.2Very low29.5Very low180 Ų180147.8 Ų147.879%0.78977%0.77SS**  trans-115.2138.3169.6-74-76.4000110.1T324T324-F326 HydrophobicContact CG2-CE2 4.25Å
327Q27Very low28.8Very low175 Ų175151.4 Ų151.482%0.81878%0.779SS**  trans-132.4104.2168.5178.4178.5-3.900106.1
328E28.2Very low28.7Very low187 Ų187148.9 Ų148.987%0.87477%0.774SS**  trans-74.2137.7177.5-69.1-176.3125.400110.6
329N29.7Very low28.8Very low145 Ų145150.1 Ų150.178%0.77578%0.777SS**  trans-134.2124.1158.5-90.2-36.7000105.3
330D28.6Very low28.8Very low151 Ų151149 Ų14981%0.80777%0.768SS**  trans-58.6139.8176.6-73.8-68.6000111.7
331H35.4Very low28.9Very low180 Ų180151.9 Ų151.983%0.83377%0.767SS**  -176.1145.2116.4-92.417.4000112.3
332N28Very low28.7Very low147 Ų147154.7 Ų154.779%0.78677%0.772SS**  trans-35.8141.2179.6-56.6-56.2000117
333T31Very low28.9Very low122 Ų122147.5 Ų147.575%0.74876%0.76SS**  168.8111.1105-67.90000114
334Q29Very low28.8Very low170 Ų170152.7 Ų152.779%0.79477%0.771SS**  trans46.2136.8141.3-62.8-170.94.900125.1
335I28.7Very low28.9Very low138 Ų138155 Ų15571%0.70879%0.785SS**  trans94107.9141.1-71.3158.4000121.4
336F27.8Very low28.9Very low170 Ų170154.2 Ų154.275%0.74678%0.782SS**  trans33.9111.1141.6-69.2-91.4000124.4
337Q25.9Very low29Very low165 Ų165152.9 Ų152.977%0.77178%0.783SS**  53.8152.5113.7-72.2-171.6-40.700124.1
338S31.6Very low29.2Very low113 Ų113151.4 Ų151.479%0.7978%0.776SS**  trans76.5139.8163.3740000117.8
339D27.9Very low29.3Very low150 Ų150149 Ų14980%0.80277%0.769SS**  cis-161.3176.4-28.1-137.5-48000111.2
340E32.2Very low29.4Very low132 Ų132149.9 Ų149.962%0.61777%0.774SS**  trans60.5114.8162.6-58.8-139.799.800122.2
341K27.2Very low29.3Very low170 Ų170147.3 Ų147.374%0.73977%0.773SS**  38.9126.8127.8-55.1165.6-172.9158.60120.3
342L29.9Very low28.8Very low164 Ų164146.8 Ų146.886%0.85978%0.776SS**  -173.5151105.4-101.6166.5000116.1
343S29.3Very low28.7Very low92 Ų92149 Ų14964%0.64378%0.778SS**  trans18.3130.1158.857.80000123.9
344F24.2Very low28.5Very low206 Ų206149.7 Ų149.790%0.90478%0.782SS**  trans-16.3145.3146.7-53-99.4000119.1
345V31.2Very low28.4Very low145 Ų145148.5 Ų148.588%0.87978%0.781SS**  -154.1149.6114.8142.30000109.1
346N25.2Very low28.2Very low137 Ų137150.6 Ų150.673%0.73379%0.788SS**  trans-96134.8-178.6177.822.2000111.3
347N32.1Very low28.2Very low152 Ų152148 Ų14881%0.81379%0.791SS**  trans-155.1162.8154-132.7-26.4000114.1
348Q30.4Very low28.1Very low144 Ų144146.2 Ų146.267%0.67379%0.791SS**  trans-99167.8-157.6-54.4180-9.200115.5
349N30.5Very low27.9Very low136 Ų136148.5 Ų148.573%0.72779%0.794SS**  trans65.8105.7152.2-55.2-36.1000118.3
350N31.5Very low27.8Very low164 Ų164147.7 Ų147.788%0.87779%0.789SS**  -150.8133.1125-107.3-37.8000110.8
351A25.5Very low27.8Very low96 Ų96147.1 Ų147.179%0.79380%0.797SS**  trans-100.2128.1175.400000109.5
352L26.2Very low27.8Very low169 Ų169147.2 Ų147.289%0.88580%0.8SS**  trans-124.6133.5174.5-75.8173.1000110.9
353K26.1Very low27.8Very low193 Ų193148.3 Ų148.384%0.83980%0.8SS**  trans-74.8141176.3-61.3174.1179.91780109.5
354V25.6Very low27.7Very low137 Ų137151.1 Ų151.183%0.8381%0.808SS**  trans-99.1115161.9179.90000107.9
355N27.1Very low28.1Very low145 Ų145150.2 Ų150.278%0.77581%0.806SS**  trans-81.8133.8170.6-67.6-24.4000109
356Q25.7Very low27.9Very low183 Ų183146 Ų14686%0.85579%0.792SS**  trans-92.9131.8165.2-76.3-176.6-33.800110.1
357S26.6Very low27.9Very low115 Ų115149.7 Ų149.780%0.80480%0.796SS**  trans-105.1116.5165.354.10000109.4
358V24.5Very low27.9Very low127 Ų127151.5 Ų151.577%0.7780%0.797SS**  trans-84.3132.7178.4177.40000110.2
359L27.6Very low27.8Very low162 Ų162150.2 Ų150.285%0.84880%0.795SS**  trans-149.4110.7168.3-109.9161.5000109.9
360N25.5Very low28.1Very low132 Ų132150 Ų15071%0.70679%0.789SS**  trans-78.1149.6167.9-93.4-0.1000110
361P31.9Very low28.5Very low121 Ų121147.8 Ų147.879%0.78678%0.776SS**  -129.9147.9125.129.3-16.3000112.6
362H27.2Very low29.8Very low171 Ų171146.8 Ų146.879%0.79276%0.762SS**  trans-74.3133.2169.9-65.1-107.2000110.2
363Q30.4Very low31.1Very low187 Ų187139.6 Ų139.687%0.87473%0.725SS**  trans-158.3109.5139.7-114.1158.914.500113.9
364D26Very low32.3Very low151 Ų151136 Ų13681%0.80771%0.71SS**  trans-11.3116.9153.1-174.518.4000118
365H32.4Very low33.4Very low187 Ų187135.7 Ų135.787%0.86670%0.697SS**  trans-150.6119.3160.6-91.4-44.5000114.1
366G28.4Very low34.7Very low56 Ų56132 Ų13258%0.57768%0.677SS**  trans58.881.8133.900000119F368G366-F368 PolarHBondContact O-N 3.37Å
367R25.7Very low36.1Very low215 Ų215123.4 Ų123.481%0.81164%0.637SS**  trans-64.1102.6164.7178.1-178.6169.9172.4-3.8111.3D369R367-D369 IonicContact CZ-OD1 3.22Å; R367-D369 IonicContact NE-OD1 2.78Å; R367-D369 PolarHBondContact NE-OD1 3.4Å; R367-D369 IonicContact NE-OD2 3.77Å; R367-D369 IonicContact NH2-OD1 2.77Å; R367-D369 PolarHBondContact NH2-OD1 2.95Å; R367-D369 IonicContact NH2-OD2 3.56Å
368F30.9Very low37.3Very low190 Ų190119.8 Ų119.883%0.83361%0.611SS**  trans-87.4123.5157.3-79.9-96.7000108.8G366 E370G366-F368 PolarHBondContact O-N 3.37Å; F368-E370 PolarHBondContact O-N 3Å
369D29.6Very low38.2Very low118 Ų118119.6 Ų119.663%0.63161%0.605SS**  trans-77.998.6171.6-75.7-40.8000109.4R367 I371R367-D369 IonicContact CZ-OD1 3.22Å; R367-D369 IonicContact NE-OD1 2.78Å; R367-D369 PolarHBondContact NE-OD1 3.4Å; R367-D369 IonicContact NE-OD2 3.77Å; R367-D369 IonicContact NH2-OD1 2.77Å; R367-D369 PolarHBondContact NH2-OD1 2.95Å; R367-D369 IonicContact NH2-OD2 3.56Å; D369-I371 PolarHBondContact O-N 3.11Å
370E35.5Very low39Very low132 Ų132115 Ų11562%0.61758%0.581SS**PPolyproline II helixtrans-56.7129.9176.7-82.4178.8142.300111.8Q183 F368 P372Q183-E370 PolarHBondContact NE2-OE1 3.46Å; Q183-E370 PolarHBondContact NE2-OE2 2.86Å; F368-E370 PolarHBondContact O-N 3Å; E370-P372 WeakPolarHBondContact O-CD 3.38Å
371I41.2Very low40Very low117 Ų117110 Ų11060%0.655%0.553SS**PPolyproline II helixtrans-72.4122.4167.8-61.8177000107.6D369 S373 K375 I376D369-I371 PolarHBondContact O-N 3.11Å; I371-S373 PolarHBondContact O-N 3.19Å; I371-K375 HydrophobicContact CG2-CB 3.93Å; I371-K375 HydrophobicContact CG2-CD 4.24Å; I371-I376 HydrophobicContact CG2-CG1 4.2Å
372P51Low40.2Very low75 Ų75108.3 Ų108.349%0.48754%0.544SS..PPolyproline II helixtrans-56131.1-178.5-27.935.3000112.4E370 K374 K375E370-P372 WeakPolarHBondContact O-CD 3.38Å; P372-K374 PolarHBondContact O-N 3.27Å; P372-K375 WeakPolarHBondContact O-CB 3.24Å; P372-K375 PolarHBondContact O-N 3.3Å
373S55Low40.6Very low18 Ų18106.3 Ų106.313%0.12654%0.539CS..Hα-helixtrans-39.6-43.3179.655.20000114I371 K375 I376 R377I371-S373 PolarHBondContact O-N 3.19Å; S373-K375 VanDerWaalsContact C-N 3.31Å; S373-K375 PolarHBondContact O-N 3.19Å; S373-I376 PolarHBondContact O-N 2.92Å; S373-R377 PolarHBondContact O-N 2.98Å
374K49.5Very low40.9Very low117 Ų11799.2 Ų99.251%0.50951%0.506SS..Hα-helixtrans-58.3-33.9178.1-59178.2-1751760113.8S44 P372 S378S44-K374 WeakPolarHBondContact CB-O 3.31Å; P372-K374 PolarHBondContact O-N 3.27Å; K374-S378 PolarHBondContact O-N 3.31Å
375K49.9Very low41.2Very low131 Ų13199.2 Ų99.257%0.5750%0.501SS*.Hα-helixtrans-70.9-42.2175.9-71.8-169.8178.4-179.40111.7I371 P372 S373 R377 S378 L379I371-K375 HydrophobicContact CG2-CB 3.93Å; I371-K375 HydrophobicContact CG2-CD 4.24Å; P372-K375 WeakPolarHBondContact O-CB 3.24Å; P372-K375 PolarHBondContact O-N 3.3Å; S373-K375 VanDerWaalsContact C-N 3.31Å; S373-K375 PolarHBondContact O-N 3.19Å; K375-R377 VanDerWaalsContact C-N 3.34Å; K375-R377 PolarHBondContact O-N 3.34Å; K375-S378 WeakPolarHBondContact CA-OG 3.49Å; K375-S378 PolarHBondContact O-N 3.1Å; K375-S378 VanDerWaalsContact O-N 3.1Å; K375-S378 PolarHBondContact O-OG 2.8Å; K375-L379 PolarHBondContact O-N 3.44Å
376I54.8Low41Very low67 Ų6793.2 Ų93.234%0.34448%0.483SS..Hα-helixtrans-58.2-49.1179.1-58.9174.8000109.7F262 I371 S373 S378 L379 L380F262-I376 HydrophobicContact CD1-CG2 4.2Å; F262-I376 HydrophobicContact CE1-CB 4.12Å; F262-I376 HydrophobicContact CE1-CG2 3.85Å; I371-I376 HydrophobicContact CG2-CG1 4.2Å; S373-I376 PolarHBondContact O-N 2.92Å; I376-S378 VanDerWaalsContact C-N 3.34Å; I376-S378 PolarHBondContact O-N 3.22Å; I376-L379 PolarHBondContact O-N 3.44Å; I376-L380 HydrophobicContact CG2-CD1 4.19Å; I376-L380 WeakPolarHBondContact O-CD1 3.25Å; I376-L380 WeakPolarHBondContact O-CG 3.35Å; I376-L380 PolarHBondContact O-N 3.34Å
377R53.9Low41Very low3 Ų398.3 Ų98.31%0.01149%0.49CS..Hα-helixtrans-58.4-40.9174-65.8178.6178.6156.4-1.2113.5E165 C214 A260 F262 S373 K375 L379 L380 F381E165-R377 IonicContact OE1-CZ 3.94Å; E165-R377 IonicContact OE1-NH1 3.77Å; E165-R377 IonicContact OE1-NH2 2.67Å; E165-R377 PolarHBondContact OE1-NH2 2.86Å; E165-R377 IonicContact OE2-CZ 3.41Å; E165-R377 IonicContact OE2-NH2 2.67Å; E165-R377 PolarHBondContact OE2-NH2 2.89Å; C214-R377 VanDerWaalsContact CB-NH2 3.32Å; C214-R377 VanDerWaalsContact N-NH2 3.16Å; C214-R377 PolarHBondContact SG-NH1 2.87Å; A260-R377 HydrophobicContact CB-CB 4.06Å; A260-R377 HydrophobicContact CB-CG 4.08Å; F262-R377 HydrophobicContact CE1-CG 4.42Å; F262-R377 HydrophobicContact CE2-CG 4.33Å; F262-R377 HydrophobicContact CZ-CG 4.01Å; S373-R377 PolarHBondContact O-N 2.98Å; K375-R377 VanDerWaalsContact C-N 3.34Å; K375-R377 PolarHBondContact O-N 3.34Å; R377-L379 VanDerWaalsContact C-N 3.28Å; R377-L379 PolarHBondContact O-N 2.68Å; R377-L380 PolarHBondContact O-N 3.24Å; R377-F381 PolarHBondContact O-N 3.38Å
378S52.4Low41Very low39 Ų3994.8 Ų94.827%0.27349%0.487SS..Hα-helixtrans-63.4-32-177.373.50000113.5S44 K374 K375 I376 S382S44-S378 VanDerWaalsContact O-CA 3.3Å; S44-S378 WeakPolarHBondContact O-CA 3.37Å; S44-S378 WeakPolarHBondContact O-CB 3.29Å; K374-S378 PolarHBondContact O-N 3.31Å; K375-S378 WeakPolarHBondContact CA-OG 3.49Å; K375-S378 PolarHBondContact O-N 3.1Å; K375-S378 VanDerWaalsContact O-N 3.1Å; K375-S378 PolarHBondContact O-OG 2.8Å; I376-S378 VanDerWaalsContact C-N 3.34Å; I376-S378 PolarHBondContact O-N 3.22Å; S378-S382 PolarHBondContact O-N 3Å
379L43.2Very low40.9Very low123 Ų12392.1 Ų92.164%0.64448%0.481SS*.Hα-helixtrans-69.8-44.4175.2-65.2169.2000111.1K375 I376 R377 F381 S382K375-L379 PolarHBondContact O-N 3.44Å; I376-L379 PolarHBondContact O-N 3.44Å; R377-L379 VanDerWaalsContact C-N 3.28Å; R377-L379 PolarHBondContact O-N 2.68Å; L379-F381 VanDerWaalsContact C-N 3.29Å; L379-F381 PolarHBondContact O-N 2.71Å; L379-S382 WeakPolarHBondContact O-CB 3.5Å; L379-S382 PolarHBondContact O-N 3.01Å; L379-S382 PolarHBondContact O-OG 3.31Å
380L45Very low40.8Very low66 Ų6690.8 Ų90.835%0.34648%0.481SS..Hα-helixtrans-65.5-31.9179.4-63.6159.5000112.4P263 I376 R377P263-L380 HydrophobicContact CG-CD1 4.24Å; P263-L380 HydrophobicContact CG-CD2 4.21Å; I376-L380 HydrophobicContact CG2-CD1 4.19Å; I376-L380 WeakPolarHBondContact O-CD1 3.25Å; I376-L380 WeakPolarHBondContact O-CG 3.35Å; I376-L380 PolarHBondContact O-N 3.34Å; R377-L380 PolarHBondContact O-N 3.24Å
381F47Very low40.5Very low27 Ų2790.8 Ų90.812%0.11849%0.491CS..THydrogen-bonded Turntrans-98.414-178-85.9-109.3000114R45 P242 A260 R377 L379 N383 F384R45-F381 WeakPolarHBondContact O-CB 3.38Å; P242-F381 HydrophobicContact CB-CE1 3.98Å; P242-F381 HydrophobicContact CB-CZ 3.83Å; P242-F381 HydrophobicContact CG-CZ 4.48Å; A260-F381 VanDerWaalsContact CA-CE2 3.43Å; A260-F381 VanDerWaalsContact CA-CZ 3.43Å; A260-F381 HydrophobicContact CB-CD1 4.23Å; A260-F381 HydrophobicContact CB-CD2 3.38Å; A260-F381 HydrophobicContact CB-CE1 4.21Å; A260-F381 HydrophobicContact CB-CE2 3.4Å; A260-F381 VanDerWaalsContact CB-CE2 3.4Å; A260-F381 HydrophobicContact CB-CG 3.87Å; A260-F381 HydrophobicContact CB-CZ 3.85Å; R377-F381 PolarHBondContact O-N 3.38Å; L379-F381 VanDerWaalsContact C-N 3.29Å; L379-F381 PolarHBondContact O-N 2.71Å; F381-N383 PolarHBondContact O-N 3.08Å; F381-F384 WeakPolarHBondContact O-CD2 3.45Å
382S36.1Very low39.8Very low85 Ų8590.9 Ų90.959%0.59450%0.496SS*.  trans-63.7-6.8-179.656.40000115.4S378 L379 F384S378-S382 PolarHBondContact O-N 3Å; L379-S382 WeakPolarHBondContact O-CB 3.5Å; L379-S382 PolarHBondContact O-N 3.01Å; L379-S382 PolarHBondContact O-OG 3.31Å; S382-F384 PolarHBondContact O-N 3.23Å
383N34.8Very low38.7Very low129 Ų12996 Ų9669%0.6951%0.514SS*.  trans-72.927.4176.1-70.4-44.8000115.2F381 Q385F381-N383 PolarHBondContact O-N 3.08Å; N383-Q385 PolarHBondContact O-N 2.93Å; N383-Q385 VanDerWaalsContact O-N 3.12Å
384F37.1Very low37.3Very low38 Ų38102.3 Ų102.317%0.16755%0.546CS..  trans-7887.2166.9-87.6-85.8000110.4V41 R45 F48 L132 E133 A134 F381 S382 A386V41-F384 HydrophobicContact CG2-CZ 4.29Å; R45-F384 HydrophobicContact CB-CD2 4.11Å; R45-F384 HydrophobicContact CB-CE2 4.27Å; R45-F384 VanDerWaalsContact O-CE2 3.22Å; R45-F384 WeakPolarHBondContact O-CE2 3.44Å; F48-F384 HydrophobicContact CB-CZ 4.1Å; L132-F384 HydrophobicContact CD1-CE1 4.47Å; E133-F384 VanDerWaalsContact O-CD1 3.27Å; E133-F384 WeakPolarHBondContact O-CD1 3.44Å; E133-F384 VanDerWaalsContact O-CE1 3.26Å; E133-F384 WeakPolarHBondContact O-CE1 3.35Å; A134-F384 HydrophobicContact CB-CE1 3.89Å; A134-F384 HydrophobicContact CB-CZ 3.94Å; F381-F384 WeakPolarHBondContact O-CD2 3.45Å; S382-F384 PolarHBondContact O-N 3.23Å; F384-A386 PolarHBondContact O-N 2.89Å
385Q32.5Very low36.4Very low151 Ų151104.7 Ų104.771%0.70656%0.563SS**  trans-76.5114.2166.3-69.6-174.8-5.600110.1N383 K387N383-Q385 PolarHBondContact O-N 2.93Å; N383-Q385 VanDerWaalsContact O-N 3.12Å; Q385-K387 PolarHBondContact O-N 3.17Å
386A27.4Very low35.3Very low60 Ų60107.6 Ų107.650%0.49658%0.579SS.*  trans-63.1126.2150.700000106.9F384F384-A386 PolarHBondContact O-N 2.89Å
387K28.9Very low34.1Very low164 Ų164107.5 Ų107.571%0.71359%0.594SS**  trans-105.995.6-170.5-167.6173.4-176.6175.30111.2Q385 N389Q385-K387 PolarHBondContact O-N 3.17Å; K387-N389 PolarHBondContact O-N 3.32Å
388D25Very low32.8Very low141 Ų141115.2 Ų115.275%0.75464%0.636SS**  trans-63.6102.2172.2-76.3-43000111.2
389N29.4Very low31.6Very low133 Ų133120 Ų12071%0.71166%0.663SS**  trans-98.560.8167.3-85.28.4000110K387 T391K387-N389 PolarHBondContact O-N 3.32Å; N389-T391 PolarHBondContact O-N 3.02Å
390S27.8Very low30.8Very low91 Ų91123.8 Ų123.864%0.63668%0.675SS**  trans-90.779.1173.646.50000111.2V392S390-V392 PolarHBondContact O-N 3.01Å
391T28.5Very low29.8Very low132 Ų132126.8 Ų126.881%0.8170%0.696SS**  trans-67.3100.416947.10000110N389 H393N389-T391 PolarHBondContact O-N 3.02Å; T391-H393 PolarHBondContact O-N 3.22Å
392V26.6Very low28.8Very low119 Ų119131.2 Ų131.272%0.72173%0.725SS**  trans-65.7122.6-177.5179.10000111.1S390S390-V392 PolarHBondContact O-N 3.01Å
393H28.5Very low28.1Very low183 Ų183133 Ų13385%0.84773%0.732SS**  trans-111.8132.1155-94.3-93.6000108.7T391T391-H393 PolarHBondContact O-N 3.22Å
394N25.4Very low27.7Very low150 Ų150134.6 Ų134.680%0.80274%0.74SS**  trans-70134.4-177.3-67.1-46.1000111.9
395L30.7Very low27.1Very low167 Ų167140.4 Ų140.487%0.87477%0.767SS**  trans-158.9155.2148.4-105.7152.4000109
396E26.8Very low26.7Very low191 Ų191142 Ų14289%0.89378%0.775SS**  trans-79.8135.8-162.3-61.7155.2111.900112.6
397G28.7Very low26.7Very low65 Ų65146.3 Ų146.367%0.6779%0.789SS**  trans-169.914.9-17100000120.7T399G397-T399 PolarHBondContact O-N 3.19Å
398N26.1Very low26.6Very low166 Ų166143.8 Ų143.889%0.88879%0.792SS**  trans3075.3162.5-172.427.5000118.5
399T29Very low26.8Very low139 Ų139144.3 Ų144.385%0.85379%0.794SS**  trans-155.4166.9154.5-2.70000111.9G397G397-T399 PolarHBondContact O-N 3.19Å
400K26.5Very low26.5Very low202 Ų202149.5 Ų149.588%0.87880%0.804SS**  trans-97.6125.6-161.3-61.7174.5-177.5175.60113.5
401T22.7Very low26.5Very low129 Ų129151.4 Ų151.479%0.79181%0.807SS**  trans-95.2136.8167.4-50.70000110.5
402V25.5Very low26.5Very low120 Ų120154 Ų15473%0.72781%0.81SS**  trans-109.9117.9171.8177.50000108.8L404V402-L404 HydrophobicContact CG1-CG 4.44Å
403V22.8Very low26.5Very low123 Ų123154.6 Ų154.675%0.74581%0.814SS**  trans-92.1119.6173.9179.80000108.5
404L25.7Very low26.6Very low163 Ų163150 Ų15085%0.85381%0.808SS**  trans-101.3104.6170.9-77.7174.7000110.1V402V402-L404 HydrophobicContact CG1-CG 4.44Å
405H24.9Very low26.8Very low160 Ų160151.1 Ų151.174%0.74181%0.813SS**  trans-72.7151.6176.7-153.2-91.7000111N407H405-N407 PolarHBondContact O-N 2.77Å
406Q23.3Very low26.6Very low185 Ų185152.9 Ų152.986%0.86481%0.814SS**  trans-62.2122.1164.4-75.6-175.9-18.900109.2
407N28.1Very low26.8Very low149 Ų149148.6 Ų148.680%0.79781%0.811SS**  trans-124.8128.3160.5-88.1-13000108H405H405-N407 PolarHBondContact O-N 2.77Å
408S26.6Very low26.9Very low112 Ų112151.1 Ų151.178%0.78382%0.818SS**  trans-68.8131.7165.246.40000109.2
409L29Very low27Very low151 Ų151149 Ų14979%0.79181%0.811SS**  trans-13998.5162.1-145.180.6000110.5D411L409-D411 VanDerWaalsContact C-N 3.34Å; L409-D411 HydrophobicContact CD2-CB 4.21Å; L409-D411 HydrophobicContact CG-CB 4.26Å; L409-D411 PolarHBondContact O-N 2.78Å
410W23.5Very low26.9Very low243 Ų243150.3 Ų150.392%0.9281%0.812SS**  trans-80.787.7155.9-77.856.4000107
411D28.3Very low27.1Very low130 Ų130146.3 Ų146.370%0.69581%0.809SS**  trans-150.1136.1163.9-143.1-24.4000112.3L409L409-D411 VanDerWaalsContact C-N 3.34Å; L409-D411 HydrophobicContact CD2-CB 4.21Å; L409-D411 HydrophobicContact CG-CB 4.26Å; L409-D411 PolarHBondContact O-N 2.78Å
412Q27.7Very low27.2Very low186 Ų186145 Ų14587%0.86981%0.805SS**  trans-115.696.9172.3-74.8-172.321.800108.7
413T27.6Very low27.3Very low132 Ų132144.7 Ų144.781%0.8180%0.804SS**  trans-169.3144.7152.3-82.30000110.3
414A29.1Very low27.5Very low88 Ų88146 Ų14673%0.72781%0.805SS**  trans63134.5179.200000114.9
415L31.2Very low27.7Very low173 Ų173144 Ų14491%0.90680%0.8SS**  cis-129.714329.2-77155.5000113.2
416K25.6Very low27.7Very low204 Ų204143.6 Ų143.689%0.88780%0.803SS**  trans-97.4164159.6-79.2-176.8175.71780109.6
417A30Very low27.9Very low100 Ų100143.4 Ų143.483%0.82680%0.802SS**  trans76.693.416700000117.9
418S31.8Very low27.8Very low118 Ų118144.7 Ų144.783%0.82580%0.804SS**  trans-15687.4130.7-163.60000111.4
419V28.9Very low28Very low122 Ų122144.6 Ų144.674%0.73980%0.803SS**  46.9100.2127-1740000119.7
420L26.4Very low28Very low167 Ų167143.3 Ų143.387%0.87480%0.801SS**  26.7113.5125.1-62.9161.5000119.3
421S29.6Very low28.6Very low118 Ų118138 Ų13883%0.82579%0.79SS**  -157.7164.8120.468.30000112.4
422S25.6Very low28.7Very low101 Ų101135 Ų13571%0.70679%0.79SS**  trans-61162.2177.551.50000112.8
423T28.1Very low29Very low113 Ų113128.2 Ų128.269%0.69377%0.77SS**  cis-161.3150.149.5-530000112.6
424I26.3Very low29.4Very low152 Ų152129.5 Ų129.578%0.77977%0.767SS**  trans-75.8121.9170.3-61.1167.6000109.4
425T29.9Very low29.5Very low121 Ų121129.5 Ų129.574%0.74276%0.758SS**  trans-128.8110.8165.536.20000110.5Q427T425-Q427 PolarHBondContact O-N 3.42Å
426N25Very low29.8Very low151 Ų151124.4 Ų124.481%0.80773%0.734SS**  trans-67.7127.7166.5-68.4-16.5000108.8
427Q28.7Very low30.1Very low180 Ų180120.7 Ų120.784%0.84172%0.723SS**  trans-129.2101.4160-79.9-166.5-18.500109.5T425 S429T425-Q427 PolarHBondContact O-N 3.42Å; Q427-S429 PolarHBondContact O-N 3.31Å; Q427-S429 VanDerWaalsContact O-N 3.16Å
428E25.9Very low30.6Very low177 Ų177119.7 Ų119.783%0.82771%0.707SS**  trans-70.6101.1163.8-65.7179.9111.200108.5T430E428-T430 PolarHBondContact O-N 3.45Å
429S30.4Very low30.8Very low109 Ų109118.4 Ų118.476%0.76270%0.703SS**  trans-75.871176.4460000111.3Q427 L431Q427-S429 PolarHBondContact O-N 3.31Å; Q427-S429 VanDerWaalsContact O-N 3.16Å; S429-L431 VanDerWaalsContact C-N 3.29Å; S429-L431 PolarHBondContact O-N 3.22Å
430T28.7Very low31.3Very low125 Ų125117.8 Ų117.877%0.76770%0.695SS**  trans-68.782.317445.30000110.8E428 G432E428-T430 PolarHBondContact O-N 3.45Å; T430-G432 PolarHBondContact O-N 3.33Å
431L36.7Very low31.9Very low130 Ų130114.4 Ų114.468%0.68169%0.686SS**  trans-67.377.7174.5-102155.3000111.2S429 G433S429-L431 VanDerWaalsContact C-N 3.29Å; S429-L431 PolarHBondContact O-N 3.22Å; L431-G433 PolarHBondContact O-N 3.04Å
432G30.6Very low32.2Very low67 Ų67116 Ų11669%0.69169%0.685SS**  trans-68115.9177.500000112T430 Q434T430-G432 PolarHBondContact O-N 3.33Å; G432-Q434 PolarHBondContact O-N 2.93Å; G432-Q434 VanDerWaalsContact O-N 3.09Å
433G32.7Very low33.1Very low44 Ų44118.5 Ų118.545%0.45469%0.691SS.*  trans-70.4100.4173.900000111.6L431 T435L431-G433 PolarHBondContact O-N 3.04Å; G433-T435 PolarHBondContact O-N 2.74Å
434Q36.2Very low33.6Very low159 Ų159121 Ų12174%0.74370%0.7SS**  trans-69.8100.4-179.2-163.7173.916.900110.7G432 V436G432-Q434 PolarHBondContact O-N 2.93Å; G432-Q434 VanDerWaalsContact O-N 3.09Å; Q434-V436 HydrophobicContact CG-CG2 4.14Å; Q434-V436 PolarHBondContact O-N 2.88Å; Q434-V436 VanDerWaalsContact O-N 3.14Å
435T31.6Very low34.3Very low88 Ų88127 Ų12754%0.5472%0.724SS.*  trans-77100.1175.7-60.60000109.3G433G433-T435 PolarHBondContact O-N 2.74Å
436V38.1Very low34.5Very low66 Ų66127.3 Ų127.340%0.472%0.723SS.*  trans-95.2109.3173.9-173.70000108.6Q434 V438Q434-V436 HydrophobicContact CG-CG2 4.14Å; Q434-V436 PolarHBondContact O-N 2.88Å; Q434-V436 VanDerWaalsContact O-N 3.14Å; V436-V438 HydrophobicContact CG1-CG2 3.82Å; V436-V438 PolarHBondContact O-N 2.98Å
437L30.6Very low35Very low126 Ų126126 Ų12666%0.6672%0.719SS**  trans-74.3105.7167.4-70.2172.3000108.4I118I118-L437 HydrophobicContact CB-CD2 4.32Å; I118-L437 HydrophobicContact CG1-CD2 4.04Å; I118-L437 HydrophobicContact CG2-CD2 4.03Å
438V40Very low35.3Very low80 Ų80123 Ų12349%0.48571%0.712SS.*  trans-104124.3165-173.50000106.4V436V436-V438 HydrophobicContact CG1-CG2 3.82Å; V436-V438 PolarHBondContact O-N 2.98Å
439A36.9Very low35.9Very low90 Ų90119.8 Ų119.874%0.74471%0.706SS**PPolyproline II helixtrans-78.1118.2165.400000107.4S441A439-S441 PolarHBondContact O-N 3.38Å
440D38.8Very low36.2Very low109 Ų109120.5 Ų120.558%0.58370%0.702SS**PPolyproline II helixtrans-64.5122.8162.9-84.3-36.3000107.2
441S38.8Very low36.7Very low97 Ų97120.2 Ų120.268%0.67870%0.698SS**PPolyproline II helixtrans-91.3121.6158.949.80000107.3A439 D443A439-S441 PolarHBondContact O-N 3.38Å; S441-D443 PolarHBondContact O-N 3.32Å
442D36.6Very low36.7Very low151 Ų151119.5 Ų119.581%0.80770%0.699SS**  trans-67.6113.8177.5-56.4-65.1000109.9
443D44.3Very low37.2Very low154 Ų154123.5 Ų123.582%0.82470%0.7SS**  trans-128116.1164.4-81.6-54.1000107.2S441S441-D443 PolarHBondContact O-N 3.32Å
444D39Very low37.6Very low165 Ų165130.2 Ų130.288%0.88272%0.72SS**  trans-87.8131.2-178.3-75-61.8000112.3
445E40Very low37.7Very low277 Ų277127.5 Ų127.5100%1.29472%0.718SS**  trans-156.90149.3-115.3-177.7-163.100111.6

Retrieved 445 of 445 residues in 582.4 ms (Link to these results)

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