A0A077Z100_TRITR 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 A0A077Z100, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 373 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
1M85.1Confident93.5Very high21 Ų2132.3 Ų32.310%0.10319%0.192CC..  01420160.1-90.1-16600108.3C3 A32 L37 F62 L64 E110 I111M1-C3 HydrophobicContact CE-CB 3.92Å; M1-C3 VanDerWaalsContact CE-SG 3.54Å; M1-A32 HydrophobicContact CB-CB 4.34Å; M1-A32 HydrophobicContact CE-CB 3.99Å; M1-A32 HydrophobicContact CG-CB 3.67Å; M1-A32 HydrophobicContact SD-CB 4.3Å; M1-L37 HydrophobicContact CE-CB 4.44Å; M1-L37 HydrophobicContact CE-CD1 3.94Å; M1-L37 HydrophobicContact CE-CD2 4.16Å; M1-L37 HydrophobicContact CE-CG 4.41Å; M1-F62 HydrophobicContact CE-CD2 4.16Å; M1-F62 HydrophobicContact CE-CE2 3.54Å; M1-F62 HydrophobicContact CE-CZ 4.38Å; M1-L64 HydrophobicContact CG-CD2 4.4Å; M1-E110 WeakPolarHBondContact O-CA 3.5Å; M1-I111 HydrophobicContact CB-CD1 4.47Å; M1-I111 PolarHBondContact N-O 2.76Å; M1-I111 VanDerWaalsContact N-O 3.16Å; M1-I111 PolarHBondContact O-N 3.38Å; M1-I111 HydrophobicContact SD-CD1 3.76Å; M1-I111 HydrophobicContact SD-CG1 4.04Å
2E91.5Very high93.7Very high62 Ų6232.6 Ų32.629%0.2919%0.191SC..EExtended strand (participates in β ladder)trans-131131.6178.6-170.7-17016700110.1T63 R108 I109E2-T63 PolarHBondContact N-O 2.89Å; E2-T63 PolarHBondContact O-N 3.24Å; E2-R108 HydrophobicContact CG-CG 4.21Å; E2-R108 WeakPolarHBondContact OE1-CD 3.5Å; E2-R108 IonicContact OE1-CZ 2.62Å; E2-R108 IonicContact OE1-NE 2.76Å; E2-R108 PolarHBondContact OE1-NE 2.78Å; E2-R108 IonicContact OE1-NH2 3.61Å; E2-I109 CarbonylContact C-O 3.56Å; E2-I109 WeakPolarHBondContact CA-O 3.36Å
3C93.9Very high93.8Very high0 Ų030.1 Ų30.10%018%0.176CC..EExtended strand (participates in β ladder)trans-140.5157.7168.870.70000112.6M1 F59 S61 F62 R108 I109M1-C3 HydrophobicContact CE-CB 3.92Å; M1-C3 VanDerWaalsContact CE-SG 3.54Å; C3-F59 HydrophobicContact CB-CD1 3.63Å; C3-F59 HydrophobicContact CB-CE1 4.06Å; C3-F59 HydrophobicContact CB-CG 4.15Å; C3-F59 VanDerWaalsContact SG-CE1 3.53Å; C3-S61 CarbonylContact C-O 3.56Å; C3-S61 WeakPolarHBondContact CA-O 3.44Å; C3-S61 WeakPolarHBondContact CB-O 3.41Å; C3-F62 HydrophobicContact CB-CD2 3.73Å; C3-F62 HydrophobicContact CB-CE2 4.48Å; C3-R108 CarbonylContact O-C 3.56Å; C3-R108 WeakPolarHBondContact O-CA 3.38Å; C3-I109 PolarHBondContact N-O 3Å; C3-I109 PolarHBondContact O-N 3.04Å
4S95.3Very high94Very high22 Ų2229.1 Ų29.115%0.15417%0.169CC..EExtended strand (participates in β ladder)trans-128.3142.6175.566.60000111.8F59 V60 S61 V107S4-F59 CarbonylContact O-C 3.54Å; S4-F59 WeakPolarHBondContact O-CA 3.34Å; S4-F59 WeakPolarHBondContact O-CB 3.24Å; S4-V60 PolarHBondContact O-N 3.27Å; S4-V60 WeakPolarHBondContact OG-CB 3.28Å; S4-S61 WeakPolarHBondContact CB-OG 3.34Å; S4-S61 PolarHBondContact N-O 3.19Å; S4-S61 PolarHBondContact OG-N 3.06Å; S4-S61 VanDerWaalsContact OG-N 3.12Å; S4-S61 PolarHBondContact OG-OG 3.35Å; S4-V107 CarbonylContact C-O 3.57Å; S4-V107 VanDerWaalsContact CA-O 3.27Å; S4-V107 WeakPolarHBondContact CA-O 3.37Å
5L96.1Very high94.1Very high1 Ų132.7 Ų32.71%0.00518%0.178CC..EExtended strand (participates in β ladder)trans-123.9144.3-179.5-59.395.6000111.2N9 A10 L13 F58 F59 S106 V107 I109L5-N9 HydrophobicContact CB-CB 4.42Å; L5-N9 HydrophobicContact CD2-CB 4.18Å; L5-A10 HydrophobicContact CB-CB 4.36Å; L5-L13 HydrophobicContact CD1-CD2 4.29Å; L5-L13 HydrophobicContact CD2-CB 4.24Å; L5-L13 HydrophobicContact CD2-CD2 3.97Å; L5-F58 HydrophobicContact CD2-CD1 3.92Å; L5-F58 HydrophobicContact CD2-CE1 3.4Å; L5-F58 VanDerWaalsContact CD2-CE1 3.4Å; L5-F58 HydrophobicContact CD2-CZ 4.34Å; L5-F59 HydrophobicContact CD1-CD1 3.96Å; L5-F59 HydrophobicContact CD1-CE1 3.98Å; L5-F59 HydrophobicContact CD2-CD1 4.14Å; L5-F59 HydrophobicContact CD2-CE1 3.96Å; L5-F59 HydrophobicContact CG-CD1 3.72Å; L5-F59 HydrophobicContact CG-CE1 3.96Å; L5-S106 VanDerWaalsContact O-CA 3.31Å; L5-S106 WeakPolarHBondContact O-CA 3.37Å; L5-S106 WeakPolarHBondContact O-CB 3.42Å; L5-V107 HydrophobicContact CB-CG1 3.79Å; L5-V107 HydrophobicContact CD1-CG1 3.75Å; L5-V107 HydrophobicContact CG-CG1 4.35Å; L5-V107 PolarHBondContact N-O 3.17Å; L5-V107 PolarHBondContact O-N 3.28Å; L5-V107 VanDerWaalsContact O-N 3.09Å; L5-I109 HydrophobicContact CD1-CD1 3.59Å; L5-I109 HydrophobicContact CD1-CG1 4.03Å
6S95Very high94.3Very high45 Ų4530.7 Ų30.732%0.31517%0.167SC..EExtended strand (participates in β ladder)trans-71.4165166.870.70000111.3G8 N9 A10S6-G8 VanDerWaalsContact C-N 3.3Å; S6-G8 PolarHBondContact O-N 2.72Å; S6-N9 PolarHBondContact O-N 2.9Å; S6-A10 WeakPolarHBondContact O-CB 3.44Å; S6-A10 PolarHBondContact O-N 3.24Å
7S93.8Very high94.4Very high34 Ų3428.9 Ų28.924%0.23816%0.158CC..Hα-helixtrans-51.8-44177.3-173.80000113.8K11 V104 D105S7-K11 WeakPolarHBondContact O-CG 3.43Å; S7-K11 PolarHBondContact O-N 3.01Å; S7-V104 WeakPolarHBondContact CB-O 3.48Å; S7-V104 PolarHBondContact OG-O 2.81Å; S7-D105 WeakPolarHBondContact CA-O 3.47Å; S7-D105 WeakPolarHBondContact CB-O 3.43Å; S7-D105 PolarHBondContact N-O 3.25Å
8G93.3Very high94.6Very high38 Ų3830.1 Ų30.139%0.39216%0.162SC..Hα-helixtrans-65.1-47.4-179.600000112S6 K11 I12S6-G8 VanDerWaalsContact C-N 3.3Å; S6-G8 PolarHBondContact O-N 2.72Å; G8-K11 WeakPolarHBondContact O-CB 3.18Å; G8-K11 PolarHBondContact O-N 3.2Å; G8-I12 PolarHBondContact O-N 2.94Å
9N94.9Very high94.7Very high39 Ų3928.5 Ų28.521%0.20915%0.153CC..Hα-helixtrans-72.8-33.1-176-65.51.9000111.4L5 S6 K11 I12 L13 F58L5-N9 HydrophobicContact CB-CB 4.42Å; L5-N9 HydrophobicContact CD2-CB 4.18Å; S6-N9 PolarHBondContact O-N 2.9Å; N9-K11 VanDerWaalsContact C-N 3.3Å; N9-K11 PolarHBondContact O-N 3.17Å; N9-I12 PolarHBondContact O-N 3.16Å; N9-L13 WeakPolarHBondContact O-CB 3.34Å; N9-L13 PolarHBondContact O-N 3.17Å; N9-F58 HydrophobicContact CB-CD1 4.37Å; N9-F58 HydrophobicContact CB-CD2 4.28Å; N9-F58 HydrophobicContact CB-CE1 3.89Å; N9-F58 HydrophobicContact CB-CE2 3.77Å; N9-F58 HydrophobicContact CB-CZ 3.57Å; N9-F58 PolarHBondContact ND2-O 2.91Å; N9-F58 VanDerWaalsContact O-CZ 3.28Å; N9-F58 WeakPolarHBondContact O-CZ 3.22Å
10A94.8Very high94.8Very high0 Ų027.1 Ų27.10%015%0.145CC..Hα-helixtrans-59.7-39.3171.100000112.4L5 S6 Y14 V104 V107L5-A10 HydrophobicContact CB-CB 4.36Å; S6-A10 WeakPolarHBondContact O-CB 3.44Å; S6-A10 PolarHBondContact O-N 3.24Å; A10-Y14 PolarHBondContact O-N 2.88Å; A10-V104 HydrophobicContact CB-CG2 3.56Å; A10-V107 HydrophobicContact CB-CG1 3.85Å
11K94.5Very high94.9Very high93 Ų9327.1 Ų27.140%0.40415%0.148SC..Hα-helixtrans-64.8-45.3174.6-69.8169-175.71740111.6S7 G8 N9 Y14 R15 A102S7-K11 WeakPolarHBondContact O-CG 3.43Å; S7-K11 PolarHBondContact O-N 3.01Å; G8-K11 WeakPolarHBondContact O-CB 3.18Å; G8-K11 PolarHBondContact O-N 3.2Å; N9-K11 VanDerWaalsContact C-N 3.3Å; N9-K11 PolarHBondContact O-N 3.17Å; K11-Y14 PolarHBondContact O-N 3.08Å; K11-R15 WeakPolarHBondContact O-CG 3.35Å; K11-R15 PolarHBondContact O-N 3.09Å; K11-A102 WeakPolarHBondContact CE-O 2.89Å
12I95.6Very high95.4Very high36 Ų3631.8 Ų31.819%0.18517%0.168CC..Hα-helixtrans-61.3-45.9178.4-63.6170.3000110.3G8 N9 Y14 R15 A16 F54 F58 F237 Y266G8-I12 PolarHBondContact O-N 2.94Å; N9-I12 PolarHBondContact O-N 3.16Å; I12-Y14 VanDerWaalsContact C-N 3.3Å; I12-Y14 PolarHBondContact O-N 2.95Å; I12-R15 WeakPolarHBondContact O-CB 3.15Å; I12-R15 PolarHBondContact O-N 3.31Å; I12-R15 VanDerWaalsContact O-N 3.08Å; I12-A16 PolarHBondContact O-N 3.12Å; I12-F54 HydrophobicContact CG2-CE1 4.43Å; I12-F58 HydrophobicContact CB-CE2 4.27Å; I12-F58 HydrophobicContact CB-CZ 4.03Å; I12-F58 HydrophobicContact CD1-CE2 4.3Å; I12-F58 HydrophobicContact CG2-CE2 4.13Å; I12-F58 HydrophobicContact CG2-CZ 4.07Å; I12-F237 HydrophobicContact CG2-CE2 4.29Å; I12-F237 HydrophobicContact CG2-CZ 4.08Å; I12-Y266 HydrophobicContact CD1-CE1 4.38Å; I12-Y266 HydrophobicContact CG2-CD1 4.17Å; I12-Y266 HydrophobicContact CG2-CE1 3.92Å
13L95.8Very high95.5Very high0 Ų029.3 Ų29.30%016%0.156CC..Hα-helixtrans-55.6-46.3175-17670.7000111.2L5 N9 R15 A16 I17 L39 F54 F58 L101 I109L5-L13 HydrophobicContact CD1-CD2 4.29Å; L5-L13 HydrophobicContact CD2-CB 4.24Å; L5-L13 HydrophobicContact CD2-CD2 3.97Å; N9-L13 WeakPolarHBondContact O-CB 3.34Å; N9-L13 PolarHBondContact O-N 3.17Å; L13-R15 PolarHBondContact O-N 3.36Å; L13-A16 WeakPolarHBondContact O-CB 3.33Å; L13-A16 PolarHBondContact O-N 2.81Å; L13-I17 HydrophobicContact CG-CD1 4.45Å; L13-I17 WeakPolarHBondContact O-CG1 3.42Å; L13-I17 PolarHBondContact O-N 2.87Å; L13-L39 HydrophobicContact CD1-CD1 3.66Å; L13-L39 HydrophobicContact CD1-CG 4.47Å; L13-F54 HydrophobicContact CD1-CD2 3.94Å; L13-F54 HydrophobicContact CD1-CE1 4.26Å; L13-F54 HydrophobicContact CD1-CE2 3.46Å; L13-F54 VanDerWaalsContact CD1-CE2 3.46Å; L13-F54 HydrophobicContact CD1-CZ 3.64Å; L13-F58 HydrophobicContact CB-CE1 4.49Å; L13-L101 HydrophobicContact CD2-CD1 4.34Å; L13-I109 HydrophobicContact CD2-CD1 3.75Å
14Y95.8Very high95.5Very high17 Ų1731.3 Ų31.37%0.06718%0.177CC..Hα-helixtrans-63.7-39.1176.5-177.4-117.5000112.6A10 K11 I12 A16 I17 Q18 L98 L101 A102A10-Y14 PolarHBondContact O-N 2.88Å; K11-Y14 PolarHBondContact O-N 3.08Å; I12-Y14 VanDerWaalsContact C-N 3.3Å; I12-Y14 PolarHBondContact O-N 2.95Å; Y14-A16 VanDerWaalsContact C-N 3.32Å; Y14-A16 PolarHBondContact O-N 2.7Å; Y14-I17 PolarHBondContact O-N 2.79Å; Y14-Q18 HydrophobicContact CD1-CG 4.3Å; Y14-Q18 HydrophobicContact CE1-CG 3.91Å; Y14-Q18 HydrophobicContact CE2-CG 4.16Å; Y14-Q18 WeakPolarHBondContact O-CG 3.27Å; Y14-Q18 PolarHBondContact O-N 2.93Å; Y14-Q18 PolarHBondContact OH-NE2 2.98Å; Y14-L98 HydrophobicContact CD2-CB 4.07Å; Y14-L98 WeakPolarHBondContact CD2-O 3.37Å; Y14-L98 VanDerWaalsContact CE2-C 3.48Å; Y14-L98 HydrophobicContact CE2-CB 4.32Å; Y14-L98 WeakPolarHBondContact CE2-O 3.03Å; Y14-L101 HydrophobicContact CG-CB 4.4Å; Y14-A102 HydrophobicContact CD1-CB 4.12Å; Y14-A102 HydrophobicContact CE1-CB 4.32Å
15R96Very high95.4Very high83 Ų8330.9 Ų30.931%0.31317%0.174SC..Hα-helixtrans-62.3-39174.2-65.5-44-172.2159.79.2112.1K11 I12 L13 Q18 A19 F237 H240K11-R15 WeakPolarHBondContact O-CG 3.35Å; K11-R15 PolarHBondContact O-N 3.09Å; I12-R15 WeakPolarHBondContact O-CB 3.15Å; I12-R15 PolarHBondContact O-N 3.31Å; I12-R15 VanDerWaalsContact O-N 3.08Å; L13-R15 PolarHBondContact O-N 3.36Å; R15-Q18 WeakPolarHBondContact O-CB 3.34Å; R15-Q18 PolarHBondContact O-N 3.21Å; R15-A19 WeakPolarHBondContact O-CB 3.44Å; R15-A19 PolarHBondContact O-N 2.78Å; R15-F237 HydrophobicContact CB-CD2 4.01Å; R15-F237 HydrophobicContact CB-CE2 4.08Å; R15-H240 HydrophobicContact CG-CB 4.34Å; R15-H240 PolarHBondContact NH1-NE2 3.2Å
16A97.1Very high95.3Very high0 Ų036.7 Ų36.70%020%0.201CC..Hα-helixtrans-62.4-44.9174.400000111.4I12 L13 Y14 Q18 A19 L20 F52 F54 F237I12-A16 PolarHBondContact O-N 3.12Å; L13-A16 WeakPolarHBondContact O-CB 3.33Å; L13-A16 PolarHBondContact O-N 2.81Å; Y14-A16 VanDerWaalsContact C-N 3.32Å; Y14-A16 PolarHBondContact O-N 2.7Å; A16-Q18 VanDerWaalsContact C-N 3.33Å; A16-Q18 PolarHBondContact O-N 2.83Å; A16-A19 WeakPolarHBondContact O-CB 3.45Å; A16-A19 PolarHBondContact O-N 3.5Å; A16-L20 WeakPolarHBondContact O-CG 3.34Å; A16-L20 PolarHBondContact O-N 2.96Å; A16-F52 HydrophobicContact CB-CB 4.37Å; A16-F52 HydrophobicContact CB-CD1 3.71Å; A16-F52 HydrophobicContact CB-CD2 3.83Å; A16-F52 HydrophobicContact CB-CE1 3.87Å; A16-F52 HydrophobicContact CB-CE2 3.98Å; A16-F52 HydrophobicContact CB-CG 3.7Å; A16-F52 HydrophobicContact CB-CZ 4Å; A16-F54 HydrophobicContact CB-CZ 3.75Å; A16-F237 HydrophobicContact CB-CD2 4.29Å; A16-F237 HydrophobicContact CB-CE2 3.93Å
17I96.9Very high95.2Very high1 Ų136.2 Ų36.21%0.00520%0.195CC..Hα-helixtrans-61.5-41.9175.4-64.9170.7000111.2L13 Y14 A19 L20 S21 L28 L39 M91 L95 L98L13-I17 HydrophobicContact CG-CD1 4.45Å; L13-I17 WeakPolarHBondContact O-CG1 3.42Å; L13-I17 PolarHBondContact O-N 2.87Å; Y14-I17 PolarHBondContact O-N 2.79Å; I17-A19 PolarHBondContact O-N 2.79Å; I17-L20 PolarHBondContact O-N 2.86Å; I17-S21 WeakPolarHBondContact O-CB 3.08Å; I17-S21 PolarHBondContact O-N 2.88Å; I17-L28 HydrophobicContact CD1-CD2 4.3Å; I17-L28 HydrophobicContact CG1-CD2 4.09Å; I17-L28 HydrophobicContact CG2-CD2 4.07Å; I17-L39 HydrophobicContact CD1-CD1 4.17Å; I17-L39 HydrophobicContact CG1-CD1 3.64Å; I17-M91 HydrophobicContact CG2-SD 4.37Å; I17-L95 HydrophobicContact CG2-CD2 4.06Å; I17-L98 HydrophobicContact CD1-CD1 3.5Å; I17-L98 VanDerWaalsContact CD1-CD1 3.5Å
18Q96.8Very high95.3Very high49 Ų4934.6 Ų34.623%0.22918%0.184CC..Hα-helixtrans-61-44174.6-73.1-174.1-41.800111.9Y14 R15 A16 S21 K22 L95Y14-Q18 HydrophobicContact CD1-CG 4.3Å; Y14-Q18 HydrophobicContact CE1-CG 3.91Å; Y14-Q18 HydrophobicContact CE2-CG 4.16Å; Y14-Q18 WeakPolarHBondContact O-CG 3.27Å; Y14-Q18 PolarHBondContact O-N 2.93Å; Y14-Q18 PolarHBondContact OH-NE2 2.98Å; R15-Q18 WeakPolarHBondContact O-CB 3.34Å; R15-Q18 PolarHBondContact O-N 3.21Å; A16-Q18 VanDerWaalsContact C-N 3.33Å; A16-Q18 PolarHBondContact O-N 2.83Å; Q18-S21 PolarHBondContact O-N 2.92Å; Q18-S21 PolarHBondContact O-OG 2.84Å; Q18-K22 PolarHBondContact O-N 2.89Å; Q18-L95 HydrophobicContact CG-CD2 4.17Å
19A97.2Very high95.3Very high0 Ų034 Ų340%017%0.17CC..Hα-helixtrans-63.5-46.2176.800000111.3R15 A16 I17 S21 K22 F52 A233 F237R15-A19 WeakPolarHBondContact O-CB 3.44Å; R15-A19 PolarHBondContact O-N 2.78Å; A16-A19 WeakPolarHBondContact O-CB 3.45Å; A16-A19 PolarHBondContact O-N 3.5Å; I17-A19 PolarHBondContact O-N 2.79Å; A19-S21 VanDerWaalsContact C-N 3.28Å; A19-S21 PolarHBondContact O-N 2.67Å; A19-K22 WeakPolarHBondContact O-CB 3.48Å; A19-K22 PolarHBondContact O-N 2.87Å; A19-K22 VanDerWaalsContact O-N 3.1Å; A19-F52 HydrophobicContact CB-CE2 4.4Å; A19-F52 HydrophobicContact CB-CZ 4.34Å; A19-A233 WeakPolarHBondContact CB-O 3.2Å; A19-A233 WeakPolarHBondContact O-CB 3.5Å; A19-F237 HydrophobicContact CB-CB 3.76Å; A19-F237 HydrophobicContact CB-CD2 4.45Å
20L97.3Very high95.2Very high0 Ų032.2 Ų32.20%016%0.16CC..Hα-helixtrans-60.2-37.4176.2-71.1177.1000112.4A16 I17 K22 L23 L28 L39 A41 A50 F52 M91A16-L20 WeakPolarHBondContact O-CG 3.34Å; A16-L20 PolarHBondContact O-N 2.96Å; I17-L20 PolarHBondContact O-N 2.86Å; L20-K22 PolarHBondContact O-N 3.36Å; L20-L23 HydrophobicContact CD2-CD1 4.37Å; L20-L23 WeakPolarHBondContact O-CB 3.31Å; L20-L23 WeakPolarHBondContact O-CD1 3.35Å; L20-L23 PolarHBondContact O-N 3.23Å; L20-L28 HydrophobicContact CD1-CD1 3.76Å; L20-L39 HydrophobicContact CD1-CB 3.78Å; L20-A41 HydrophobicContact CB-CB 3.91Å; L20-A41 HydrophobicContact CD2-CB 3.96Å; L20-A41 HydrophobicContact CG-CB 4.34Å; L20-A50 HydrophobicContact CD2-CB 3.66Å; L20-F52 HydrophobicContact CD1-CD2 4Å; L20-F52 HydrophobicContact CD2-CD2 3.89Å; L20-F52 HydrophobicContact CD2-CE2 3.97Å; L20-F52 HydrophobicContact CG-CD2 3.81Å; L20-F52 HydrophobicContact CG-CE2 3.91Å; L20-M91 HydrophobicContact CB-CE 4.16Å
21S96.3Very high95Very high28 Ų2832.3 Ų32.320%0.19616%0.16CC..Hα-helixtrans-64.2-27.2177.577.30000113.8I17 Q18 A19 L23 G24I17-S21 WeakPolarHBondContact O-CB 3.08Å; I17-S21 PolarHBondContact O-N 2.88Å; Q18-S21 PolarHBondContact O-N 2.92Å; Q18-S21 PolarHBondContact O-OG 2.84Å; A19-S21 VanDerWaalsContact C-N 3.28Å; A19-S21 PolarHBondContact O-N 2.67Å; S21-L23 PolarHBondContact O-N 3.47Å; S21-G24 PolarHBondContact O-N 3.12Å; S21-G24 VanDerWaalsContact O-N 3.09Å
22K95.4Very high94.9Very high119 Ų11928 Ų2852%0.51714%0.142SC..THydrogen-bonded Turntrans-74.7-10.3178.8-72178.1-178.8177.60113.7Q18 A19 L20 G24 A233 S236Q18-K22 PolarHBondContact O-N 2.89Å; A19-K22 WeakPolarHBondContact O-CB 3.48Å; A19-K22 PolarHBondContact O-N 2.87Å; A19-K22 VanDerWaalsContact O-N 3.1Å; L20-K22 PolarHBondContact O-N 3.36Å; K22-G24 PolarHBondContact O-N 2.82Å; K22-A233 HydrophobicContact CB-CB 3.58Å; K22-S236 WeakPolarHBondContact CD-OG 3.28Å; K22-S236 PolarHBondContact NZ-OG 3.39Å; K22-S236 VanDerWaalsContact NZ-OG 3.1Å
23L94.3Very high94.5Very high11 Ų1130.4 Ų30.46%0.05815%0.149CC..THydrogen-bonded Turntrans-67.7-12.2165.3-77.589.7000112.5L20 S21 S43 A48 A50 A233 Y270L20-L23 HydrophobicContact CD2-CD1 4.37Å; L20-L23 WeakPolarHBondContact O-CB 3.31Å; L20-L23 WeakPolarHBondContact O-CD1 3.35Å; L20-L23 PolarHBondContact O-N 3.23Å; S21-L23 PolarHBondContact O-N 3.47Å; L23-S43 VanDerWaalsContact O-CB 3.23Å; L23-S43 WeakPolarHBondContact O-CB 3.49Å; L23-A48 HydrophobicContact CD2-CB 3.82Å; L23-A50 HydrophobicContact CD1-CB 3.87Å; L23-A50 HydrophobicContact CD2-CB 3.54Å; L23-A50 HydrophobicContact CG-CB 4.37Å; L23-A233 HydrophobicContact CD1-CB 3.89Å; L23-A233 HydrophobicContact CG-CB 4.32Å; L23-Y270 HydrophobicContact CD1-CD1 4.33Å; L23-Y270 HydrophobicContact CD1-CE1 3.57Å; L23-Y270 HydrophobicContact CG-CE1 4.37Å
24G92.4Very high94.1Very high42 Ų4234.5 Ų34.543%0.43318%0.183SC..THydrogen-bonded Turntrans77.225-173.500000113.4S21 K22S21-G24 PolarHBondContact O-N 3.12Å; S21-G24 VanDerWaalsContact O-N 3.09Å; K22-G24 PolarHBondContact O-N 2.82Å
25S93.3Very high93.8Very high12 Ų1238.1 Ų38.18%0.08420%0.204CC..  trans-72.3136.2173.1-171.10000111.1D27 V42 M91S25-D27 PolarHBondContact OG-N 3.4Å; S25-D27 PolarHBondContact OG-O 3.03Å; S25-V42 WeakPolarHBondContact CA-O 3.5Å; S25-V42 WeakPolarHBondContact CB-O 3.19Å; S25-V42 PolarHBondContact OG-N 3.07Å; S25-V42 PolarHBondContact OG-O 3.06Å; S25-M91 WeakPolarHBondContact O-CB 3.49Å
26E94.1Very high93.6Very high123 Ų12334.2 Ų34.258%0.57519%0.189SC*.SBendtrans-81.4-26.9173.7-62.1-170.9-17900111.8K44 M91E26-K44 IonicContact OE1-NZ 2.92Å; E26-K44 PolarHBondContact OE1-NZ 2.93Å; E26-M91 VanDerWaalsContact O-CB 3.22Å; E26-M91 WeakPolarHBondContact O-CB 3.15Å; E26-M91 PolarHBondContact O-N 2.83Å
27D94.4Very high93.5Very high36 Ų3634.2 Ų34.219%0.19319%0.189CC..EExtended strand (participates in β ladder)trans-117.3151.2-175.6-71.6-34.7000111.9S25 Y29 K88S25-D27 PolarHBondContact OG-N 3.4Å; S25-D27 PolarHBondContact OG-O 3.03Å; D27-Y29 HydrophobicContact CB-CE2 3.9Å; D27-K88 HydrophobicContact CB-CD 3.83Å; D27-K88 HydrophobicContact CB-CG 3.87Å; D27-K88 WeakPolarHBondContact OD2-CD 3.11Å; D27-K88 VanDerWaalsContact OD2-CE 3.29Å; D27-K88 WeakPolarHBondContact OD2-CE 3.08Å; D27-K88 IonicContact OD2-NZ 3.2Å; D27-K88 PolarHBondContact OD2-NZ 3.45Å
28L95.5Very high93.4Very high0 Ų034.4 Ų34.40%019%0.19CC..EExtended strand (participates in β ladder)trans-120.8124.9170177.664.7000108.5I17 L20 F30 L39 K88 I89 M91 A94I17-L28 HydrophobicContact CD1-CD2 4.3Å; I17-L28 HydrophobicContact CG1-CD2 4.09Å; I17-L28 HydrophobicContact CG2-CD2 4.07Å; L20-L28 HydrophobicContact CD1-CD1 3.76Å; L28-F30 HydrophobicContact CD2-CE2 3.5Å; L28-F30 VanDerWaalsContact CD2-CE2 3.5Å; L28-F30 HydrophobicContact CD2-CZ 3.9Å; L28-F30 HydrophobicContact CG-CD2 4.26Å; L28-F30 HydrophobicContact CG-CE2 3.68Å; L28-F30 HydrophobicContact CG-CZ 4.47Å; L28-L39 HydrophobicContact CD1-CB 4.3Å; L28-K88 WeakPolarHBondContact O-CA 3.42Å; L28-I89 HydrophobicContact CB-CG1 4.09Å; L28-I89 HydrophobicContact CD2-CD1 4.32Å; L28-I89 HydrophobicContact CD2-CG1 4.43Å; L28-I89 PolarHBondContact N-O 2.82Å; L28-I89 PolarHBondContact O-N 2.65Å; L28-M91 HydrophobicContact CB-CE 3.83Å; L28-M91 HydrophobicContact CB-SD 4.17Å; L28-M91 HydrophobicContact CD1-CE 3.98Å; L28-M91 HydrophobicContact CG-CE 4.42Å; L28-A94 HydrophobicContact CD2-CB 4Å
29Y94.1Very high93.3Very high26 Ų2632 Ų3210%0.10218%0.179CC..EExtended strand (participates in β ladder)trans-101.8136.2-179.8-57.4-99.3000110.1D27 L39 K40 Y86 C87 K88 M142D27-Y29 HydrophobicContact CB-CE2 3.9Å; Y29-L39 CarbonylContact O-C 3.53Å; Y29-L39 VanDerWaalsContact O-CA 3.31Å; Y29-L39 WeakPolarHBondContact O-CA 3.38Å; Y29-K40 WeakPolarHBondContact CD2-O 3.47Å; Y29-K40 PolarHBondContact N-O 2.81Å; Y29-K40 PolarHBondContact O-N 2.91Å; Y29-Y86 AromaticContact CD1-CE1 3.91Å; Y29-Y86 HydrophobicContact CD1-CE1 3.91Å; Y29-Y86 AromaticContact CD1-CZ 3.8Å; Y29-Y86 WeakPolarHBondContact CD1-OH 3.37Å; Y29-C87 CarbonylContact C-O 3.55Å; Y29-C87 WeakPolarHBondContact CA-O 3.21Å; Y29-K88 HydrophobicContact CD1-CB 4.01Å; Y29-K88 HydrophobicContact CD1-CD 4.01Å; Y29-K88 HydrophobicContact CD1-CG 3.89Å; Y29-K88 HydrophobicContact CE1-CB 4.19Å; Y29-K88 HydrophobicContact CE1-CD 3.35Å; Y29-K88 HydrophobicContact CE1-CG 3.76Å; Y29-K88 HydrophobicContact CE2-CD 4.46Å; Y29-K88 HydrophobicContact CG-CG 4.42Å; Y29-M142 HydrophobicContact CD1-CG 4.38Å; Y29-M142 HydrophobicContact CE1-CG 3.89Å; Y29-M142 HydrophobicContact CE2-CG 4.4Å
30F92.3Very high93.2Very high1 Ų132.6 Ų32.60%0.00418%0.182CC..EExtended strand (participates in β ladder)trans-111.5137.8173.3-73.8-112.8000108.4L28 L37 S38 L39 Y86 C87 I89 I111 F120L28-F30 HydrophobicContact CD2-CE2 3.5Å; L28-F30 VanDerWaalsContact CD2-CE2 3.5Å; L28-F30 HydrophobicContact CD2-CZ 3.9Å; L28-F30 HydrophobicContact CG-CD2 4.26Å; L28-F30 HydrophobicContact CG-CE2 3.68Å; L28-F30 HydrophobicContact CG-CZ 4.47Å; F30-L37 HydrophobicContact CB-CD1 4.49Å; F30-L37 HydrophobicContact CD1-CD1 4.16Å; F30-L37 HydrophobicContact CD1-CD2 4.31Å; F30-S38 CarbonylContact C-O 3.59Å; F30-S38 WeakPolarHBondContact CA-O 3.45Å; F30-L39 HydrophobicContact CD1-CD2 3.38Å; F30-L39 HydrophobicContact CD2-CD2 4.15Å; F30-L39 HydrophobicContact CE1-CD2 3.33Å; F30-L39 HydrophobicContact CE2-CD2 4.08Å; F30-L39 HydrophobicContact CG-CD2 3.8Å; F30-L39 HydrophobicContact CZ-CD2 3.69Å; F30-Y86 CarbonylContact O-C 3.57Å; F30-Y86 VanDerWaalsContact O-CA 3.32Å; F30-Y86 WeakPolarHBondContact O-CA 3.24Å; F30-C87 PolarHBondContact N-O 3.34Å; F30-C87 PolarHBondContact O-N 2.74Å; F30-I89 HydrophobicContact CD2-CD1 4.29Å; F30-I89 HydrophobicContact CD2-CG1 4.3Å; F30-I89 HydrophobicContact CE2-CD1 3.42Å; F30-I89 VanDerWaalsContact CE2-CD1 3.42Å; F30-I89 HydrophobicContact CE2-CG1 3.78Å; F30-I89 HydrophobicContact CZ-CD1 4.01Å; F30-I111 HydrophobicContact CB-CD1 4.46Å; F30-F120 HydrophobicContact CZ-CZ 4.35Å
31E90.9Very high93.2Very high1 Ų132.6 Ų32.61%0.00518%0.182CC..EExtended strand (participates in β ladder)trans-143.3105.8177.8-178.3167.9-137.600109.9R33 S38 K40 N85 Y86E31-R33 HydrophobicContact CG-CG 4.36Å; E31-R33 IonicContact OE1-CZ 3.6Å; E31-R33 IonicContact OE1-NH1 3.44Å; E31-R33 PolarHBondContact OE1-NH1 3.09Å; E31-R33 IonicContact OE1-NH2 2.61Å; E31-R33 PolarHBondContact OE1-NH2 2.86Å; E31-R33 IonicContact OE2-CZ 3.54Å; E31-R33 IonicContact OE2-NH1 3.99Å; E31-R33 PolarHBondContact OE2-NH1 2.84Å; E31-R33 IonicContact OE2-NH2 3.06Å; E31-R33 PolarHBondContact OE2-NH2 3.31Å; E31-S38 PolarHBondContact N-O 3.31Å; E31-S38 PolarHBondContact O-N 3.48Å; E31-K40 IonicContact OE1-NZ 3.39Å; E31-K40 WeakPolarHBondContact OE2-CE 3.49Å; E31-K40 IonicContact OE2-NZ 2.72Å; E31-K40 PolarHBondContact OE2-NZ 2.9Å; E31-N85 CarbonylContact C-O 3.55Å; E31-N85 WeakPolarHBondContact CA-O 3.15Å; E31-Y86 HydrophobicContact CB-CD2 3.66Å; E31-Y86 HydrophobicContact CB-CE2 4.04Å; E31-Y86 HydrophobicContact CG-CD2 3.67Å; E31-Y86 HydrophobicContact CG-CE2 4.28Å; E31-Y86 WeakPolarHBondContact OE1-CD2 3.16Å
32A90.6Very high93Very high3 Ų332.4 Ų32.43%0.02518%0.18CC..EExtended strand (participates in β ladder)trans-93.3125.9176.100000110.9M1 L37 F62 L64 N85M1-A32 HydrophobicContact CB-CB 4.34Å; M1-A32 HydrophobicContact CE-CB 3.99Å; M1-A32 HydrophobicContact CG-CB 3.67Å; M1-A32 HydrophobicContact SD-CB 4.3Å; A32-L37 HydrophobicContact CB-CD1 4.05Å; A32-F62 HydrophobicContact CB-CZ 4.14Å; A32-L64 HydrophobicContact CB-CD2 3.62Å; A32-N85 HydrophobicContact CB-CB 3.89Å; A32-N85 PolarHBondContact N-O 3.02Å; A32-N85 WeakPolarHBondContact O-CB 3.21Å
33R88.5Confident93Very high86 Ų8627 Ų2733%0.32516%0.157SC..EExtended strand (participates in β ladder)trans-129.8173.1178.1-76.7-165.5178.1914.6110.1E31 N35 G36 F62 L64E31-R33 HydrophobicContact CG-CG 4.36Å; E31-R33 IonicContact OE1-CZ 3.6Å; E31-R33 IonicContact OE1-NH1 3.44Å; E31-R33 PolarHBondContact OE1-NH1 3.09Å; E31-R33 IonicContact OE1-NH2 2.61Å; E31-R33 PolarHBondContact OE1-NH2 2.86Å; E31-R33 IonicContact OE2-CZ 3.54Å; E31-R33 IonicContact OE2-NH1 3.99Å; E31-R33 PolarHBondContact OE2-NH1 2.84Å; E31-R33 IonicContact OE2-NH2 3.06Å; E31-R33 PolarHBondContact OE2-NH2 3.31Å; R33-N35 WeakPolarHBondContact CB-OD1 3.31Å; R33-N35 PolarHBondContact O-N 2.94Å; R33-G36 PolarHBondContact N-O 2.85Å; R33-G36 PolarHBondContact O-N 3.12Å; R33-F62 WeakPolarHBondContact O-CE1 3.3Å; R33-L64 VanDerWaalsContact C-CD1 3.47Å; R33-L64 WeakPolarHBondContact O-CD1 3.4Å
34A87.9Confident92.8Very high87 Ų8734 Ų3472%0.71919%0.187SC*.THydrogen-bonded Turntrans-58.3-28.8175.600000113.1G36 L64A34-G36 VanDerWaalsContact C-N 3.28Å; A34-G36 PolarHBondContact O-N 2.85Å; A34-L64 HydrophobicContact CB-CD1 4.4Å
35N88.6Confident92.6Very high93 Ų9334.2 Ų34.250%0.49718%0.181SC..THydrogen-bonded Turntrans-86.99.5176.169.4-29.2000113.7R33 P56R33-N35 WeakPolarHBondContact CB-OD1 3.31Å; R33-N35 PolarHBondContact O-N 2.94Å; N35-P56 WeakPolarHBondContact O-CD 3.39Å
36G92.5Very high92.4Very high0 Ų034.2 Ų34.20%018%0.183CC..EExtended strand (participates in β ladder)trans118.8-158.117300000114.4R33 A34 F54R33-G36 PolarHBondContact N-O 2.85Å; R33-G36 PolarHBondContact O-N 3.12Å; A34-G36 VanDerWaalsContact C-N 3.28Å; A34-G36 PolarHBondContact O-N 2.85Å; G36-F54 CarbonylContact C-O 3.58Å; G36-F54 WeakPolarHBondContact CA-O 3.48Å
37L94.3Very high92.2Very high0 Ų029.7 Ų29.70%017%0.165CC..EExtended strand (participates in β ladder)trans-106125.1-178.8179.363.5000110.4M1 F30 A32 L39 F54 F59 F62M1-L37 HydrophobicContact CE-CB 4.44Å; M1-L37 HydrophobicContact CE-CD1 3.94Å; M1-L37 HydrophobicContact CE-CD2 4.16Å; M1-L37 HydrophobicContact CE-CG 4.41Å; F30-L37 HydrophobicContact CB-CD1 4.49Å; F30-L37 HydrophobicContact CD1-CD1 4.16Å; F30-L37 HydrophobicContact CD1-CD2 4.31Å; A32-L37 HydrophobicContact CB-CD1 4.05Å; L37-L39 HydrophobicContact CD2-CD2 4.41Å; L37-L39 HydrophobicContact CG-CD2 4.43Å; L37-F54 PolarHBondContact N-O 3.3Å; L37-F54 WeakPolarHBondContact O-CD2 3.21Å; L37-F54 PolarHBondContact O-N 3.23Å; L37-F59 HydrophobicContact CB-CE2 4.16Å; L37-F59 HydrophobicContact CB-CZ 3.7Å; L37-F59 HydrophobicContact CD2-CE1 4.39Å; L37-F59 HydrophobicContact CD2-CZ 4.08Å; L37-F62 HydrophobicContact CB-CE2 4.11Å
38S94.6Very high92.3Very high5 Ų528 Ų284%0.03516%0.156CC..EExtended strand (participates in β ladder)trans-103.1134.3171.7-60.90000111.3F30 E31 F52 T53F30-S38 CarbonylContact C-O 3.59Å; F30-S38 WeakPolarHBondContact CA-O 3.45Å; E31-S38 PolarHBondContact N-O 3.31Å; E31-S38 PolarHBondContact O-N 3.48Å; S38-F52 CarbonylContact C-O 3.59Å; S38-F52 WeakPolarHBondContact CA-O 3.4Å; S38-T53 PolarHBondContact OG-OG1 3.45Å; S38-T53 VanDerWaalsContact OG-OG1 3.07Å
39L95.5Very high92.2Very high0 Ų028.1 Ų28.10%016%0.157CC..EExtended strand (participates in β ladder)trans-108.3127169.1-60.1-172.2000108.7L13 I17 L20 L28 Y29 F30 L37 Y51 F52 F54L13-L39 HydrophobicContact CD1-CD1 3.66Å; L13-L39 HydrophobicContact CD1-CG 4.47Å; I17-L39 HydrophobicContact CD1-CD1 4.17Å; I17-L39 HydrophobicContact CG1-CD1 3.64Å; L20-L39 HydrophobicContact CD1-CB 3.78Å; L28-L39 HydrophobicContact CD1-CB 4.3Å; Y29-L39 CarbonylContact O-C 3.53Å; Y29-L39 VanDerWaalsContact O-CA 3.31Å; Y29-L39 WeakPolarHBondContact O-CA 3.38Å; F30-L39 HydrophobicContact CD1-CD2 3.38Å; F30-L39 HydrophobicContact CD2-CD2 4.15Å; F30-L39 HydrophobicContact CE1-CD2 3.33Å; F30-L39 HydrophobicContact CE2-CD2 4.08Å; F30-L39 HydrophobicContact CG-CD2 3.8Å; F30-L39 HydrophobicContact CZ-CD2 3.69Å; L37-L39 HydrophobicContact CD2-CD2 4.41Å; L37-L39 HydrophobicContact CG-CD2 4.43Å; L39-Y51 CarbonylContact O-C 3.58Å; L39-Y51 WeakPolarHBondContact O-CA 3.27Å; L39-Y51 WeakPolarHBondContact O-CB 3.38Å; L39-F52 PolarHBondContact N-O 3.37Å; L39-F52 PolarHBondContact O-N 2.77Å; L39-F54 HydrophobicContact CD1-CE2 3.88Å; L39-F54 HydrophobicContact CG-CE2 3.97Å
40K95.5Very high92.3Very high11 Ų1126.9 Ų26.95%0.04815%0.152CC..EExtended strand (participates in β ladder)trans-126.6148.4-176.8-44.9170.7155.1-178.60111.3Y29 E31 F49 A50 M142Y29-K40 WeakPolarHBondContact CD2-O 3.47Å; Y29-K40 PolarHBondContact N-O 2.81Å; Y29-K40 PolarHBondContact O-N 2.91Å; E31-K40 IonicContact OE1-NZ 3.39Å; E31-K40 WeakPolarHBondContact OE2-CE 3.49Å; E31-K40 IonicContact OE2-NZ 2.72Å; E31-K40 PolarHBondContact OE2-NZ 2.9Å; K40-F49 HydrophobicContact CB-CE2 4.37Å; K40-F49 HydrophobicContact CB-CZ 4.13Å; K40-F49 HydrophobicContact CD-CZ 4.03Å; K40-F49 HydrophobicContact CG-CZ 4.29Å; K40-A50 CarbonylContact C-O 3.51Å; K40-A50 WeakPolarHBondContact CA-O 3.37Å; K40-M142 PolarHBondContact NZ-O 2.79Å
41A95.6Very high92.5Very high0 Ų029.1 Ų29.10%016%0.161CC..EExtended strand (participates in β ladder)trans-144.1149.5173.400000110.4L20 A50 M91L20-A41 HydrophobicContact CB-CB 3.91Å; L20-A41 HydrophobicContact CD2-CB 3.96Å; L20-A41 HydrophobicContact CG-CB 4.34Å; A41-A50 PolarHBondContact N-O 2.92Å; A41-A50 PolarHBondContact O-N 3.26Å; A41-M91 HydrophobicContact CB-CE 4.09Å
42V93.9Very high92.8Very high25 Ų2529 Ų2915%0.15216%0.16CC..EExtended strand (participates in β ladder)trans-126130.1178.3-168.20000107.4S25 A48 F49 F343S25-V42 WeakPolarHBondContact CA-O 3.5Å; S25-V42 WeakPolarHBondContact CB-O 3.19Å; S25-V42 PolarHBondContact OG-N 3.07Å; S25-V42 PolarHBondContact OG-O 3.06Å; V42-A48 WeakPolarHBondContact CA-O 3.46Å; V42-F49 HydrophobicContact CG2-CD2 3.68Å; V42-F49 HydrophobicContact CG2-CE2 4.01Å; V42-F343 HydrophobicContact CG1-CE2 4.12Å
43S93.4Very high93Very high6 Ų629.9 Ų29.94%0.04217%0.165CC..  trans-60.5153.4177.165.60000110.4L23 S45 G46 S47 A48 E230L23-S43 VanDerWaalsContact O-CB 3.23Å; L23-S43 WeakPolarHBondContact O-CB 3.49Å; S43-S45 PolarHBondContact O-N 2.84Å; S43-S45 VanDerWaalsContact O-N 3.13Å; S43-S45 PolarHBondContact OG-OG 2.8Å; S43-S45 VanDerWaalsContact OG-OG 3.13Å; S43-G46 PolarHBondContact O-N 2.58Å; S43-S47 PolarHBondContact OG-N 2.87Å; S43-S47 PolarHBondContact OG-OG 2.78Å; S43-A48 PolarHBondContact N-O 2.79Å; S43-A48 PolarHBondContact OG-N 2.89Å; S43-E230 WeakPolarHBondContact CB-OE1 3.16Å; S43-E230 PolarHBondContact OG-OE1 2.61Å
44K90.8Very high93.4Very high157 Ų15725.8 Ų25.868%0.68315%0.15SC*.THydrogen-bonded Turntrans-56.5-30.6179.3-177.8170.1-176.4143.70113E26 G46E26-K44 IonicContact OE1-NZ 2.92Å; E26-K44 PolarHBondContact OE1-NZ 2.93Å; K44-G46 VanDerWaalsContact C-N 3.33Å
45S88.9Confident93.8Very high46 Ų4623 Ų2332%0.32213%0.125SC..THydrogen-bonded Turntrans-77.5-12.6173.843.20000113.3S43 S47 K350S43-S45 PolarHBondContact O-N 2.84Å; S43-S45 VanDerWaalsContact O-N 3.13Å; S43-S45 PolarHBondContact OG-OG 2.8Å; S43-S45 VanDerWaalsContact OG-OG 3.13Å; S45-S47 PolarHBondContact O-N 2.67Å; S45-S47 PolarHBondContact OG-OG 2.86Å; S45-K350 VanDerWaalsContact C-NZ 3.32Å; S45-K350 WeakPolarHBondContact O-CD 3.37Å; S45-K350 WeakPolarHBondContact O-CE 3.01Å; S45-K350 PolarHBondContact O-NZ 3.44Å
46G89Confident94.1Very high12 Ų1220.8 Ų20.812%0.12412%0.116CC..SBendtrans64.613.5-171.300000113.3S43 K44 F343S43-G46 PolarHBondContact O-N 2.58Å; K44-G46 VanDerWaalsContact C-N 3.33Å; G46-F343 WeakPolarHBondContact O-CE2 3.44Å; G46-F343 WeakPolarHBondContact O-CZ 3.35Å
47S90.6Very high94.2Very high28 Ų2827.2 Ų27.220%0.19615%0.149CC..SBendtrans-83.1-20.317750.50000112.4S43 S45 E230 A273S43-S47 PolarHBondContact OG-N 2.87Å; S43-S47 PolarHBondContact OG-OG 2.78Å; S45-S47 PolarHBondContact O-N 2.67Å; S45-S47 PolarHBondContact OG-OG 2.86Å; S47-E230 PolarHBondContact OG-OE1 3.33Å; S47-A273 WeakPolarHBondContact O-CB 3.47Å; S47-A273 PolarHBondContact O-N 3.2Å
48A94.5Very high94.2Very high0 Ų027.2 Ų27.20%015%0.149CC..EExtended strand (participates in β ladder)trans-129140.3175.900000112.4L23 V42 S43 E230 V271 L272L23-A48 HydrophobicContact CD2-CB 3.82Å; V42-A48 WeakPolarHBondContact CA-O 3.46Å; S43-A48 PolarHBondContact N-O 2.79Å; S43-A48 PolarHBondContact OG-N 2.89Å; A48-E230 HydrophobicContact CB-CB 4.17Å; A48-E230 HydrophobicContact CB-CG 3.93Å; A48-E230 WeakPolarHBondContact CB-OE1 3.32Å; A48-E230 WeakPolarHBondContact CB-OE2 3.47Å; A48-V271 VanDerWaalsContact CA-O 3.3Å; A48-V271 WeakPolarHBondContact CA-O 3.33Å; A48-L272 HydrophobicContact CB-CD2 3.47Å; A48-L272 VanDerWaalsContact CB-CD2 3.47Å
49F94.7Very high94.3Very high4 Ų427.7 Ų27.72%0.01815%0.151CC..EExtended strand (participates in β ladder)trans-124.2127.9169.8-179.3-94.3000108.2K40 V42 Y51 M142 P144 V271 F343K40-F49 HydrophobicContact CB-CE2 4.37Å; K40-F49 HydrophobicContact CB-CZ 4.13Å; K40-F49 HydrophobicContact CD-CZ 4.03Å; K40-F49 HydrophobicContact CG-CZ 4.29Å; V42-F49 HydrophobicContact CG2-CD2 3.68Å; V42-F49 HydrophobicContact CG2-CE2 4.01Å; F49-Y51 AromaticContact CD1-CD1 3.88Å; F49-Y51 HydrophobicContact CD1-CD1 3.88Å; F49-Y51 HydrophobicContact CD1-CE1 4.37Å; F49-Y51 AromaticContact CE1-CD1 3.33Å; F49-Y51 HydrophobicContact CE1-CD1 3.33Å; F49-Y51 AromaticContact CE1-CE1 3.93Å; F49-Y51 HydrophobicContact CE1-CE1 3.93Å; F49-Y51 HydrophobicContact CE1-CG 4.12Å; F49-Y51 HydrophobicContact CZ-CD1 4.32Å; F49-M142 HydrophobicContact CE2-CB 4.23Å; F49-P144 HydrophobicContact CD1-CB 3.68Å; F49-P144 HydrophobicContact CD1-CG 3.55Å; F49-P144 HydrophobicContact CE1-CB 3.99Å; F49-P144 VanDerWaalsContact CE1-CD 3.45Å; F49-P144 HydrophobicContact CE1-CG 3.41Å; F49-P144 VanDerWaalsContact CE1-CG 3.41Å; F49-P144 HydrophobicContact CG-CB 4.03Å; F49-P144 HydrophobicContact CG-CG 4.35Å; F49-P144 HydrophobicContact CZ-CG 4.15Å; F49-V271 HydrophobicContact CB-CB 4.43Å; F49-V271 PolarHBondContact N-O 3.04Å; F49-V271 PolarHBondContact O-N 2.9Å; F49-F343 HydrophobicContact CB-CE2 4.1Å; F49-F343 HydrophobicContact CB-CZ 3.86Å
50A96.4Very high94.2Very high0 Ų032.8 Ų32.80%018%0.182CC..EExtended strand (participates in β ladder)trans-132.7145175.600000111L20 L23 K40 A41 E269 Y270L20-A50 HydrophobicContact CD2-CB 3.66Å; L23-A50 HydrophobicContact CD1-CB 3.87Å; L23-A50 HydrophobicContact CD2-CB 3.54Å; L23-A50 HydrophobicContact CG-CB 4.37Å; K40-A50 CarbonylContact C-O 3.51Å; K40-A50 WeakPolarHBondContact CA-O 3.37Å; A41-A50 PolarHBondContact N-O 2.92Å; A41-A50 PolarHBondContact O-N 3.26Å; A50-E269 VanDerWaalsContact CA-O 3.32Å; A50-E269 WeakPolarHBondContact CA-O 3.44Å; A50-Y270 HydrophobicContact CB-CD1 3.64Å; A50-Y270 HydrophobicContact CB-CD2 3.89Å; A50-Y270 HydrophobicContact CB-CE1 3.72Å; A50-Y270 HydrophobicContact CB-CE2 3.94Å; A50-Y270 HydrophobicContact CB-CG 3.73Å
51Y95.5Very high94.2Very high47 Ų4734.4 Ų34.418%0.18419%0.194CC..EExtended strand (participates in β ladder)trans-146147.1173.965.5-77.9000112.6L39 F49 A268 E269L39-Y51 CarbonylContact O-C 3.58Å; L39-Y51 WeakPolarHBondContact O-CA 3.27Å; L39-Y51 WeakPolarHBondContact O-CB 3.38Å; F49-Y51 AromaticContact CD1-CD1 3.88Å; F49-Y51 HydrophobicContact CD1-CD1 3.88Å; F49-Y51 HydrophobicContact CD1-CE1 4.37Å; F49-Y51 AromaticContact CE1-CD1 3.33Å; F49-Y51 HydrophobicContact CE1-CD1 3.33Å; F49-Y51 AromaticContact CE1-CE1 3.93Å; F49-Y51 HydrophobicContact CE1-CE1 3.93Å; F49-Y51 HydrophobicContact CE1-CG 4.12Å; F49-Y51 HydrophobicContact CZ-CD1 4.32Å; Y51-A268 CarbonylContact O-C 3.58Å; Y51-A268 VanDerWaalsContact O-CA 3.25Å; Y51-A268 WeakPolarHBondContact O-CA 3.48Å; Y51-E269 HydrophobicContact CD1-CB 4.19Å; Y51-E269 HydrophobicContact CE1-CB 3.56Å; Y51-E269 HydrophobicContact CE1-CG 4Å; Y51-E269 WeakPolarHBondContact CE1-OE1 3.17Å; Y51-E269 HydrophobicContact CE2-CB 4.33Å; Y51-E269 PolarHBondContact N-O 3.05Å; Y51-E269 PolarHBondContact O-N 2.79Å; Y51-E269 PolarHBondContact OH-OE1 3.21Å
52F97.1Very high94.1Very high0 Ų036.2 Ų36.20%020%0.202CC..EExtended strand (participates in β ladder)trans-107.5141.3166.8-75-99000108.4A16 A19 L20 S38 L39 F54 F237 S267 A268 Y270A16-F52 HydrophobicContact CB-CB 4.37Å; A16-F52 HydrophobicContact CB-CD1 3.71Å; A16-F52 HydrophobicContact CB-CD2 3.83Å; A16-F52 HydrophobicContact CB-CE1 3.87Å; A16-F52 HydrophobicContact CB-CE2 3.98Å; A16-F52 HydrophobicContact CB-CG 3.7Å; A16-F52 HydrophobicContact CB-CZ 4Å; A19-F52 HydrophobicContact CB-CE2 4.4Å; A19-F52 HydrophobicContact CB-CZ 4.34Å; L20-F52 HydrophobicContact CD1-CD2 4Å; L20-F52 HydrophobicContact CD2-CD2 3.89Å; L20-F52 HydrophobicContact CD2-CE2 3.97Å; L20-F52 HydrophobicContact CG-CD2 3.81Å; L20-F52 HydrophobicContact CG-CE2 3.91Å; S38-F52 CarbonylContact C-O 3.59Å; S38-F52 WeakPolarHBondContact CA-O 3.4Å; L39-F52 PolarHBondContact N-O 3.37Å; L39-F52 PolarHBondContact O-N 2.77Å; F52-F54 HydrophobicContact CB-CE2 3.74Å; F52-F54 HydrophobicContact CB-CZ 3.98Å; F52-F54 HydrophobicContact CD1-CZ 4.44Å; F52-F54 HydrophobicContact CG-CZ 4.47Å; F52-F237 HydrophobicContact CD1-CE2 4.45Å; F52-F237 HydrophobicContact CD1-CZ 4.39Å; F52-F237 AromaticContact CE1-CD1 3.84Å; F52-F237 HydrophobicContact CE1-CD1 3.84Å; F52-F237 AromaticContact CE1-CD2 3.74Å; F52-F237 HydrophobicContact CE1-CD2 3.74Å; F52-F237 AromaticContact CE1-CE1 3.76Å; F52-F237 HydrophobicContact CE1-CE1 3.76Å; F52-F237 AromaticContact CE1-CE2 3.65Å; F52-F237 HydrophobicContact CE1-CE2 3.65Å; F52-F237 AromaticContact CE1-CG 3.82Å; F52-F237 HydrophobicContact CE1-CG 3.82Å; F52-F237 AromaticContact CE1-CZ 3.66Å; F52-F237 HydrophobicContact CE1-CZ 3.66Å; F52-F237 HydrophobicContact CZ-CB 4.2Å; F52-F237 HydrophobicContact CZ-CD1 4.14Å; F52-F237 AromaticContact CZ-CD2 3.76Å; F52-F237 HydrophobicContact CZ-CD2 3.76Å; F52-F237 HydrophobicContact CZ-CE1 4.5Å; F52-F237 HydrophobicContact CZ-CE2 4.15Å; F52-F237 AromaticContact CZ-CG 3.75Å; F52-F237 HydrophobicContact CZ-CG 3.75Å; F52-F237 HydrophobicContact CZ-CZ 4.5Å; F52-S267 CarbonylContact C-O 3.57Å; F52-S267 VanDerWaalsContact CA-O 3.3Å; F52-S267 WeakPolarHBondContact CA-O 3.28Å; F52-A268 HydrophobicContact CD1-CB 3.57Å; F52-A268 HydrophobicContact CD2-CB 4.44Å; F52-A268 HydrophobicContact CE1-CB 3.46Å; F52-A268 VanDerWaalsContact CE1-CB 3.46Å; F52-A268 HydrophobicContact CE2-CB 4.35Å; F52-A268 HydrophobicContact CG-CB 4.07Å; F52-A268 HydrophobicContact CZ-CB 3.88Å; F52-Y270 AromaticContact CE2-CE2 3.96Å; F52-Y270 HydrophobicContact CE2-CE2 3.96Å; F52-Y270 HydrophobicContact CZ-CE2 4.17Å
53T95.9Very high93.9Very high20 Ų2038.9 Ų38.912%0.12322%0.218CC..EExtended strand (participates in β ladder)trans-122.1122.9170.7-59.30000108.8S38 Y266 S267S38-T53 PolarHBondContact OG-OG1 3.45Å; S38-T53 VanDerWaalsContact OG-OG1 3.07Å; T53-Y266 CarbonylContact O-C 3.53Å; T53-Y266 WeakPolarHBondContact O-CA 3.5Å; T53-Y266 WeakPolarHBondContact O-CB 3.44Å; T53-S267 PolarHBondContact N-O 2.82Å; T53-S267 PolarHBondContact O-N 2.85Å
54F97.1Very high93.6Very high0 Ų041 Ų410%023%0.229CC..EExtended strand (participates in β ladder)trans-103.7116.5177.1-60.1-83.3000108.6I12 L13 A16 G36 L37 L39 F52 F58 F59 Y266I12-F54 HydrophobicContact CG2-CE1 4.43Å; L13-F54 HydrophobicContact CD1-CD2 3.94Å; L13-F54 HydrophobicContact CD1-CE1 4.26Å; L13-F54 HydrophobicContact CD1-CE2 3.46Å; L13-F54 VanDerWaalsContact CD1-CE2 3.46Å; L13-F54 HydrophobicContact CD1-CZ 3.64Å; A16-F54 HydrophobicContact CB-CZ 3.75Å; G36-F54 CarbonylContact C-O 3.58Å; G36-F54 WeakPolarHBondContact CA-O 3.48Å; L37-F54 PolarHBondContact N-O 3.3Å; L37-F54 WeakPolarHBondContact O-CD2 3.21Å; L37-F54 PolarHBondContact O-N 3.23Å; L39-F54 HydrophobicContact CD1-CE2 3.88Å; L39-F54 HydrophobicContact CG-CE2 3.97Å; F52-F54 HydrophobicContact CB-CE2 3.74Å; F52-F54 HydrophobicContact CB-CZ 3.98Å; F52-F54 HydrophobicContact CD1-CZ 4.44Å; F52-F54 HydrophobicContact CG-CZ 4.47Å; F54-F58 HydrophobicContact CB-CB 4.22Å; F54-F58 HydrophobicContact CB-CD1 3.78Å; F54-F58 HydrophobicContact CB-CE1 4.36Å; F54-F58 HydrophobicContact CB-CG 4.13Å; F54-F58 AromaticContact CD1-CD1 3.51Å; F54-F58 HydrophobicContact CD1-CD1 3.51Å; F54-F58 HydrophobicContact CD1-CD2 4.11Å; F54-F58 AromaticContact CD1-CE1 3.31Å; F54-F58 HydrophobicContact CD1-CE1 3.31Å; F54-F58 AromaticContact CD1-CE2 3.96Å; F54-F58 HydrophobicContact CD1-CE2 3.96Å; F54-F58 AromaticContact CD1-CG 3.89Å; F54-F58 HydrophobicContact CD1-CG 3.89Å; F54-F58 AromaticContact CD1-CZ 3.55Å; F54-F58 HydrophobicContact CD1-CZ 3.55Å; F54-F58 HydrophobicContact CE1-CD1 4.43Å; F54-F58 AromaticContact CE1-CE1 3.8Å; F54-F58 HydrophobicContact CE1-CE1 3.8Å; F54-F58 HydrophobicContact CE1-CE2 4.29Å; F54-F58 AromaticContact CE1-CZ 3.71Å; F54-F58 HydrophobicContact CE1-CZ 3.71Å; F54-F58 AromaticContact CG-CD1 3.92Å; F54-F58 HydrophobicContact CG-CD1 3.92Å; F54-F58 AromaticContact CG-CE1 3.99Å; F54-F58 HydrophobicContact CG-CE1 3.99Å; F54-F58 HydrophobicContact CG-CG 4.45Å; F54-F59 HydrophobicContact CB-CE2 3.78Å; F54-F59 HydrophobicContact CB-CZ 3.74Å; F54-Y266 HydrophobicContact CD1-CG 4.46Å; F54-Y266 HydrophobicContact CE1-CG 4.41Å
55S95.3Very high92.7Very high29 Ų2935.5 Ų35.520%0.20322%0.217CC..  trans-56.5153.8176171.70000111.3L57 F58 F59 G264 D265S55-L57 PolarHBondContact O-N 3.3Å; S55-L57 VanDerWaalsContact O-N 3.09Å; S55-L57 PolarHBondContact OG-N 3.39Å; S55-F58 WeakPolarHBondContact O-CB 3.04Å; S55-F58 PolarHBondContact O-N 2.66Å; S55-F59 VanDerWaalsContact O-CD2 3.27Å; S55-F59 WeakPolarHBondContact O-CD2 3.46Å; S55-F59 WeakPolarHBondContact O-CE2 3.11Å; S55-G264 WeakPolarHBondContact CB-O 3.4Å; S55-G264 PolarHBondContact OG-O 3.37Å; S55-G264 VanDerWaalsContact OG-O 3.06Å; S55-D265 VanDerWaalsContact CB-O 3.24Å; S55-D265 WeakPolarHBondContact CB-O 3.46Å; S55-D265 PolarHBondContact N-O 2.78Å
56P94.4Very high91.1Very high47 Ų4741.7 Ų41.731%0.30524%0.241SC..G310 helixtrans-54.6-28.9171.7-25.336.5000112.9N35 F58 F59 F62N35-P56 WeakPolarHBondContact O-CD 3.39Å; P56-F58 PolarHBondContact O-N 2.91Å; P56-F59 PolarHBondContact O-N 3.16Å; P56-F62 HydrophobicContact CB-CD1 4.33Å
57L94.2Very high89.2Confident134 Ų13446.7 Ų46.770%0.70227%0.269SS*.G310 helixtrans-68.1-20.5177-59177.7000113.5S55 F59S55-L57 PolarHBondContact O-N 3.3Å; S55-L57 VanDerWaalsContact O-N 3.09Å; S55-L57 PolarHBondContact OG-N 3.39Å; L57-F59 PolarHBondContact O-N 3.36Å
58F95.4Very high86.6Confident1 Ų149.7 Ų49.70%0.00429%0.291CS..G310 helixtrans-68.5-20.3174.5-175-105.4000112.4L5 N9 I12 L13 F54 S55 P56 D265 Y266L5-F58 HydrophobicContact CD2-CD1 3.92Å; L5-F58 HydrophobicContact CD2-CE1 3.4Å; L5-F58 VanDerWaalsContact CD2-CE1 3.4Å; L5-F58 HydrophobicContact CD2-CZ 4.34Å; N9-F58 HydrophobicContact CB-CD1 4.37Å; N9-F58 HydrophobicContact CB-CD2 4.28Å; N9-F58 HydrophobicContact CB-CE1 3.89Å; N9-F58 HydrophobicContact CB-CE2 3.77Å; N9-F58 HydrophobicContact CB-CZ 3.57Å; N9-F58 PolarHBondContact ND2-O 2.91Å; N9-F58 VanDerWaalsContact O-CZ 3.28Å; N9-F58 WeakPolarHBondContact O-CZ 3.22Å; I12-F58 HydrophobicContact CB-CE2 4.27Å; I12-F58 HydrophobicContact CB-CZ 4.03Å; I12-F58 HydrophobicContact CD1-CE2 4.3Å; I12-F58 HydrophobicContact CG2-CE2 4.13Å; I12-F58 HydrophobicContact CG2-CZ 4.07Å; L13-F58 HydrophobicContact CB-CE1 4.49Å; F54-F58 HydrophobicContact CB-CB 4.22Å; F54-F58 HydrophobicContact CB-CD1 3.78Å; F54-F58 HydrophobicContact CB-CE1 4.36Å; F54-F58 HydrophobicContact CB-CG 4.13Å; F54-F58 AromaticContact CD1-CD1 3.51Å; F54-F58 HydrophobicContact CD1-CD1 3.51Å; F54-F58 HydrophobicContact CD1-CD2 4.11Å; F54-F58 AromaticContact CD1-CE1 3.31Å; F54-F58 HydrophobicContact CD1-CE1 3.31Å; F54-F58 AromaticContact CD1-CE2 3.96Å; F54-F58 HydrophobicContact CD1-CE2 3.96Å; F54-F58 AromaticContact CD1-CG 3.89Å; F54-F58 HydrophobicContact CD1-CG 3.89Å; F54-F58 AromaticContact CD1-CZ 3.55Å; F54-F58 HydrophobicContact CD1-CZ 3.55Å; F54-F58 HydrophobicContact CE1-CD1 4.43Å; F54-F58 AromaticContact CE1-CE1 3.8Å; F54-F58 HydrophobicContact CE1-CE1 3.8Å; F54-F58 HydrophobicContact CE1-CE2 4.29Å; F54-F58 AromaticContact CE1-CZ 3.71Å; F54-F58 HydrophobicContact CE1-CZ 3.71Å; F54-F58 AromaticContact CG-CD1 3.92Å; F54-F58 HydrophobicContact CG-CD1 3.92Å; F54-F58 AromaticContact CG-CE1 3.99Å; F54-F58 HydrophobicContact CG-CE1 3.99Å; F54-F58 HydrophobicContact CG-CG 4.45Å; S55-F58 WeakPolarHBondContact O-CB 3.04Å; S55-F58 PolarHBondContact O-N 2.66Å; P56-F58 PolarHBondContact O-N 2.91Å; F58-D265 HydrophobicContact CD2-CB 4.29Å; F58-Y266 HydrophobicContact CD2-CD1 4.29Å; F58-Y266 HydrophobicContact CE2-CD1 4.06Å
59F95.7Very high83.7Confident15 Ų1557.4 Ų57.47%0.06633%0.332CS..SBendtrans-100.3148.8-176.7-57-86.3000110.9C3 S4 L5 L37 F54 S55 P56 L57 S61 F62C3-F59 HydrophobicContact CB-CD1 3.63Å; C3-F59 HydrophobicContact CB-CE1 4.06Å; C3-F59 HydrophobicContact CB-CG 4.15Å; C3-F59 VanDerWaalsContact SG-CE1 3.53Å; S4-F59 CarbonylContact O-C 3.54Å; S4-F59 WeakPolarHBondContact O-CA 3.34Å; S4-F59 WeakPolarHBondContact O-CB 3.24Å; L5-F59 HydrophobicContact CD1-CD1 3.96Å; L5-F59 HydrophobicContact CD1-CE1 3.98Å; L5-F59 HydrophobicContact CD2-CD1 4.14Å; L5-F59 HydrophobicContact CD2-CE1 3.96Å; L5-F59 HydrophobicContact CG-CD1 3.72Å; L5-F59 HydrophobicContact CG-CE1 3.96Å; L37-F59 HydrophobicContact CB-CE2 4.16Å; L37-F59 HydrophobicContact CB-CZ 3.7Å; L37-F59 HydrophobicContact CD2-CE1 4.39Å; L37-F59 HydrophobicContact CD2-CZ 4.08Å; F54-F59 HydrophobicContact CB-CE2 3.78Å; F54-F59 HydrophobicContact CB-CZ 3.74Å; S55-F59 VanDerWaalsContact O-CD2 3.27Å; S55-F59 WeakPolarHBondContact O-CD2 3.46Å; S55-F59 WeakPolarHBondContact O-CE2 3.11Å; P56-F59 PolarHBondContact O-N 3.16Å; L57-F59 PolarHBondContact O-N 3.36Å; F59-S61 VanDerWaalsContact C-N 3.3Å; F59-S61 WeakPolarHBondContact CB-O 3.38Å; F59-F62 HydrophobicContact CB-CB 4.04Å; F59-F62 HydrophobicContact CD2-CB 4.2Å; F59-F62 AromaticContact CD2-CD2 3.69Å; F59-F62 HydrophobicContact CD2-CD2 3.69Å; F59-F62 HydrophobicContact CD2-CE2 4.46Å; F59-F62 HydrophobicContact CD2-CG 4.22Å; F59-F62 AromaticContact CE2-CD2 3.88Å; F59-F62 HydrophobicContact CE2-CD2 3.88Å; F59-F62 HydrophobicContact CE2-CE2 4.21Å; F59-F62 HydrophobicContact CG-CB 4.25Å; F59-F62 HydrophobicContact CG-CD2 4.05Å; F59-F62 HydrophobicContact CZ-CD2 4.39Å
60V95Very high80.7Confident107 Ų10761.3 Ų61.365%0.64837%0.365SS*.SBendtrans-68.9-36.9168.51760000109.8S4S4-V60 PolarHBondContact O-N 3.27Å; S4-V60 WeakPolarHBondContact OG-CB 3.28Å
61S94.2Very high77.7Confident44 Ų4466.5 Ų66.531%0.30840%0.398SS..EExtended strand (participates in β ladder)trans-143.9143.5168.666.80000110C3 S4 F59C3-S61 CarbonylContact C-O 3.56Å; C3-S61 WeakPolarHBondContact CA-O 3.44Å; C3-S61 WeakPolarHBondContact CB-O 3.41Å; S4-S61 WeakPolarHBondContact CB-OG 3.34Å; S4-S61 PolarHBondContact N-O 3.19Å; S4-S61 PolarHBondContact OG-N 3.06Å; S4-S61 VanDerWaalsContact OG-N 3.12Å; S4-S61 PolarHBondContact OG-OG 3.35Å; F59-S61 VanDerWaalsContact C-N 3.3Å; F59-S61 WeakPolarHBondContact CB-O 3.38Å
62F93.3Very high74.8Confident39 Ų3969.8 Ų69.817%0.17143%0.428CS..EExtended strand (participates in β ladder)trans-142.3114.8176.6-176.3-93.9000109.5M1 C3 A32 R33 L37 P56 F59 L64M1-F62 HydrophobicContact CE-CD2 4.16Å; M1-F62 HydrophobicContact CE-CE2 3.54Å; M1-F62 HydrophobicContact CE-CZ 4.38Å; C3-F62 HydrophobicContact CB-CD2 3.73Å; C3-F62 HydrophobicContact CB-CE2 4.48Å; A32-F62 HydrophobicContact CB-CZ 4.14Å; R33-F62 WeakPolarHBondContact O-CE1 3.3Å; L37-F62 HydrophobicContact CB-CE2 4.11Å; P56-F62 HydrophobicContact CB-CD1 4.33Å; F59-F62 HydrophobicContact CB-CB 4.04Å; F59-F62 HydrophobicContact CD2-CB 4.2Å; F59-F62 AromaticContact CD2-CD2 3.69Å; F59-F62 HydrophobicContact CD2-CD2 3.69Å; F59-F62 HydrophobicContact CD2-CE2 4.46Å; F59-F62 HydrophobicContact CD2-CG 4.22Å; F59-F62 AromaticContact CE2-CD2 3.88Å; F59-F62 HydrophobicContact CE2-CD2 3.88Å; F59-F62 HydrophobicContact CE2-CE2 4.21Å; F59-F62 HydrophobicContact CG-CB 4.25Å; F59-F62 HydrophobicContact CG-CD2 4.05Å; F59-F62 HydrophobicContact CZ-CD2 4.39Å; F62-L64 HydrophobicContact CE1-CD1 4.22Å; F62-L64 HydrophobicContact CE1-CD2 3.77Å; F62-L64 HydrophobicContact CE1-CG 3.74Å; F62-L64 HydrophobicContact CZ-CD2 3.77Å; F62-L64 HydrophobicContact CZ-CG 4.27Å
63T90.7Very high71.8Confident80 Ų8075.5 Ų75.549%0.49146%0.463SS..EExtended strand (participates in β ladder)trans-127.1119.6-177.2-52.70000109.5E2E2-T63 PolarHBondContact N-O 2.89Å; E2-T63 PolarHBondContact O-N 3.24Å
64L86.6Confident68.8Low50 Ų5080.3 Ų80.326%0.26249%0.488SS..PPolyproline II helixtrans-83.6131.8168.7-63.4169.1000108.5M1 A32 R33 A34 F62 Q66M1-L64 HydrophobicContact CG-CD2 4.4Å; A32-L64 HydrophobicContact CB-CD2 3.62Å; R33-L64 VanDerWaalsContact C-CD1 3.47Å; R33-L64 WeakPolarHBondContact O-CD1 3.4Å; A34-L64 HydrophobicContact CB-CD1 4.4Å; F62-L64 HydrophobicContact CE1-CD1 4.22Å; F62-L64 HydrophobicContact CE1-CD2 3.77Å; F62-L64 HydrophobicContact CE1-CG 3.74Å; F62-L64 HydrophobicContact CZ-CD2 3.77Å; F62-L64 HydrophobicContact CZ-CG 4.27Å; L64-Q66 PolarHBondContact O-N 3.4Å
65G71.4Confident65.8Low42 Ų4284.9 Ų84.943%0.43353%0.526SS..PPolyproline II helixtrans-62.8119.4172.700000108.7
66Q56.6Low63Low176 Ų17691.2 Ų91.282%0.82256%0.557SS**PPolyproline II helixtrans-74.9129169.9-67.3-176.6-0.600107.5L64 S68L64-Q66 PolarHBondContact O-N 3.4Å; Q66-S68 PolarHBondContact O-N 3.21Å
67T47.9Very low60Low117 Ų11796.3 Ų96.372%0.71858%0.581SS**  trans-69.171.8165.345.50000108.8N69 P84T67-N69 PolarHBondContact O-N 3.25Å; T67-P84 HydrophobicContact CG2-CG 3.98Å
68S36.1Very low57.1Low92 Ų9293.4 Ų93.464%0.64358%0.576SS**THydrogen-bonded Turntrans-69.79717252.70000108.4Q66Q66-S68 PolarHBondContact O-N 3.21Å
69N33.5Very low54.1Low162 Ų16298.6 Ų98.687%0.86661%0.612SS**THydrogen-bonded Turntrans159.732.6144.6-77-14.7000114.7T67T67-N69 PolarHBondContact O-N 3.25Å
70A33.1Very low51.2Low86 Ų86103.3 Ų103.371%0.71164%0.638SS**  trans-104.6112.916200000109.5S72A70-S72 PolarHBondContact O-N 3.28Å
71P33.6Very low48.5Very low109 Ų109108.4 Ų108.471%0.70865%0.646SS**  trans-55.9135.5171-17.229000109.1T73P71-T73 VanDerWaalsContact C-N 3.25Å; P71-T73 PolarHBondContact O-N 2.89Å
72S33.9Very low46.5Very low116 Ų116109.7 Ų109.781%0.81165%0.652SS**THydrogen-bonded Turntrans-57.277.8174.254.40000112.2A70A70-S72 PolarHBondContact O-N 3.28Å
73T34.2Very low44.8Very low120 Ų120109.8 Ų109.874%0.73666%0.657SS**THydrogen-bonded Turntrans-149-12.5163.946.10000115.1P71P71-T73 VanDerWaalsContact C-N 3.25Å; P71-T73 PolarHBondContact O-N 2.89Å
74N31.7Very low43.6Very low121 Ų121109 Ų10965%0.64765%0.653SS**  trans-137.731.5-179.1-86.3-13.3000114.8L76 L77N74-L76 PolarHBondContact O-N 3.27Å; N74-L77 PolarHBondContact O-N 3.19Å
75A35.5Very low43.2Very low96 Ų96107.6 Ų107.679%0.79365%0.646SS**THydrogen-bonded Turntrans-67.6-1.2179.500000115.1
76L35Very low44Very low162 Ų162106.2 Ų106.285%0.84863%0.628SS**THydrogen-bonded Turntrans-95.9-4.5178.6-86.5160.9000114.3N74N74-L76 PolarHBondContact O-N 3.27Å
77L32.6Very low45.5Very low154 Ų15498 Ų9881%0.80659%0.59SS**SBendtrans-119.18.4179-72.2167.5000113.4N74N74-L77 PolarHBondContact O-N 3.19Å
78A32.1Very low47.6Very low72 Ų7294.1 Ų94.160%0.59556%0.563SS**  trans-112.723.7177.400000112.6D80A78-D80 PolarHBondContact O-N 3.38Å
79S34Very low50.4Low110 Ų11089.8 Ų89.877%0.76953%0.533SS*.THydrogen-bonded Turntrans-76.32.8178.458.20000114.1
80D34.7Very low53.3Low115 Ų11583 Ų8362%0.61550%0.501SS*.THydrogen-bonded Turntrans-113.817.8-171-158.230.3000114A78A78-D80 PolarHBondContact O-N 3.38Å
81R38.9Very low56.3Low214 Ų21479.1 Ų79.181%0.80847%0.468SS*.SBendtrans-93.5122.2160.9-64.9-161.4174.4-148.6-3.1107.1S83R81-S83 PolarHBondContact O-N 2.83Å
82T52Low59.3Low71 Ų7183.4 Ų83.444%0.43647%0.47SS..  trans-34.5111.1157.237.80000106.7I141T82-I141 HydrophobicContact CG2-CD1 4.45Å; T82-I141 HydrophobicContact CG2-CG1 3.95Å
83S57.3Low62.2Low40 Ų4080.7 Ų80.728%0.2845%0.451SS..  trans-47.6135.6-168.554.50000108.1R81 N85 Y86R81-S83 PolarHBondContact O-N 2.83Å; S83-N85 PolarHBondContact O-N 2.88Å; S83-Y86 WeakPolarHBondContact O-CB 3.47Å; S83-Y86 PolarHBondContact O-N 3.33Å
84P64.8Low65Low63 Ų6375 Ų7541%0.40942%0.416SS..THydrogen-bonded Turntrans-59-1.2-171.323.4-35000114.2T67 T113T67-P84 HydrophobicContact CG2-CG 3.98Å; P84-T113 VanDerWaalsContact O-CG2 3.24Å; P84-T113 WeakPolarHBondContact O-CG2 3.37Å
85N79.4Confident68.1Low22 Ų2271.4 Ų71.412%0.11840%0.397CS..THydrogen-bonded Turntrans-110.212.4178.3-60.4-43.4000113.3E31 A32 S83E31-N85 CarbonylContact C-O 3.55Å; E31-N85 WeakPolarHBondContact CA-O 3.15Å; A32-N85 HydrophobicContact CB-CB 3.89Å; A32-N85 PolarHBondContact N-O 3.02Å; A32-N85 WeakPolarHBondContact O-CB 3.21Å; S83-N85 PolarHBondContact O-N 2.88Å
86Y86.4Confident70.8Confident12 Ų1272.7 Ų72.75%0.04739%0.389CS..EExtended strand (participates in β ladder)trans-107.1119.7175.9-168.4-88000109.4Y29 F30 E31 S83 C139 E140 M142Y29-Y86 AromaticContact CD1-CE1 3.91Å; Y29-Y86 HydrophobicContact CD1-CE1 3.91Å; Y29-Y86 AromaticContact CD1-CZ 3.8Å; Y29-Y86 WeakPolarHBondContact CD1-OH 3.37Å; F30-Y86 CarbonylContact O-C 3.57Å; F30-Y86 VanDerWaalsContact O-CA 3.32Å; F30-Y86 WeakPolarHBondContact O-CA 3.24Å; E31-Y86 HydrophobicContact CB-CD2 3.66Å; E31-Y86 HydrophobicContact CB-CE2 4.04Å; E31-Y86 HydrophobicContact CG-CD2 3.67Å; E31-Y86 HydrophobicContact CG-CE2 4.28Å; E31-Y86 WeakPolarHBondContact OE1-CD2 3.16Å; S83-Y86 WeakPolarHBondContact O-CB 3.47Å; S83-Y86 PolarHBondContact O-N 3.33Å; Y86-C139 HydrophobicContact CD1-CB 4.4Å; Y86-C139 VanDerWaalsContact CD1-SG 3.59Å; Y86-C139 HydrophobicContact CE1-CB 4.11Å; Y86-E140 WeakPolarHBondContact CE1-O 3.46Å; Y86-E140 PolarHBondContact OH-O 2.93Å; Y86-M142 WeakPolarHBondContact OH-CB 3.3Å; Y86-M142 PolarHBondContact OH-N 3.03Å
87C89.1Confident73.4Confident5 Ų566.3 Ų66.33%0.03436%0.357CS..EExtended strand (participates in β ladder)trans-144.2164.4178.972.70000112.1Y29 F30 L136Y29-C87 CarbonylContact C-O 3.55Å; Y29-C87 WeakPolarHBondContact CA-O 3.21Å; F30-C87 PolarHBondContact N-O 3.34Å; F30-C87 PolarHBondContact O-N 2.74Å; C87-L136 HydrophobicContact CB-CD1 4Å; C87-L136 HydrophobicContact CB-CD2 3.77Å; C87-L136 HydrophobicContact CB-CG 4.36Å
88K92.5Very high76.2Confident35 Ų3559 Ų5915%0.15232%0.319CS..EExtended strand (participates in β ladder)trans-128.8140.4-178.3-173.3179.285.81620109.8D27 L28 Y29 L137 Q138 C139D27-K88 HydrophobicContact CB-CD 3.83Å; D27-K88 HydrophobicContact CB-CG 3.87Å; D27-K88 WeakPolarHBondContact OD2-CD 3.11Å; D27-K88 VanDerWaalsContact OD2-CE 3.29Å; D27-K88 WeakPolarHBondContact OD2-CE 3.08Å; D27-K88 IonicContact OD2-NZ 3.2Å; D27-K88 PolarHBondContact OD2-NZ 3.45Å; L28-K88 WeakPolarHBondContact O-CA 3.42Å; Y29-K88 HydrophobicContact CD1-CB 4.01Å; Y29-K88 HydrophobicContact CD1-CD 4.01Å; Y29-K88 HydrophobicContact CD1-CG 3.89Å; Y29-K88 HydrophobicContact CE1-CB 4.19Å; Y29-K88 HydrophobicContact CE1-CD 3.35Å; Y29-K88 HydrophobicContact CE1-CG 3.76Å; Y29-K88 HydrophobicContact CE2-CD 4.46Å; Y29-K88 HydrophobicContact CG-CG 4.42Å; K88-L137 HydrophobicContact CB-CB 4.25Å; K88-L137 HydrophobicContact CD-CB 4.49Å; K88-L137 VanDerWaalsContact CE-CB 3.47Å; K88-L137 HydrophobicContact CG-CB 4.31Å; K88-L137 PolarHBondContact O-N 2.67Å; K88-Q138 WeakPolarHBondContact CE-O 3.5Å; K88-Q138 PolarHBondContact NZ-O 2.94Å; K88-C139 HydrophobicContact CB-CB 3.48Å; K88-C139 VanDerWaalsContact CB-CB 3.48Å; K88-C139 HydrophobicContact CD-CB 4.14Å; K88-C139 HydrophobicContact CG-CB 4.43Å
89I94.2Very high79.1Confident1 Ų162.5 Ų62.51%0.00532%0.321CS..EExtended strand (participates in β ladder)trans-135.2155.7173.763.7175.5000110.3L28 F30 M91 A94 V118 L134 L136L28-I89 HydrophobicContact CB-CG1 4.09Å; L28-I89 HydrophobicContact CD2-CD1 4.32Å; L28-I89 HydrophobicContact CD2-CG1 4.43Å; L28-I89 PolarHBondContact N-O 2.82Å; L28-I89 PolarHBondContact O-N 2.65Å; F30-I89 HydrophobicContact CD2-CD1 4.29Å; F30-I89 HydrophobicContact CD2-CG1 4.3Å; F30-I89 HydrophobicContact CE2-CD1 3.42Å; F30-I89 VanDerWaalsContact CE2-CD1 3.42Å; F30-I89 HydrophobicContact CE2-CG1 3.78Å; F30-I89 HydrophobicContact CZ-CD1 4.01Å; I89-M91 PolarHBondContact O-N 2.83Å; I89-A94 HydrophobicContact CD1-CB 3.77Å; I89-A94 HydrophobicContact CG1-CB 4.32Å; I89-V118 HydrophobicContact CD1-CG1 4.36Å; I89-V118 HydrophobicContact CG2-CG1 3.72Å; I89-L134 HydrophobicContact CD1-CD1 3.82Å; I89-L136 HydrophobicContact CG2-CD2 3.88Å
90G95.5Very high81.6Confident18 Ų1858 Ų5819%0.18629%0.289CS..EExtended strand (participates in β ladder)trans-66.3128.2176.300000111.6R92 S93 A94G90-R92 VanDerWaalsContact C-N 3.32Å; G90-R92 PolarHBondContact O-N 3.36Å; G90-S93 PolarHBondContact O-N 2.97Å; G90-A94 PolarHBondContact O-N 2.93Å
91M96.2Very high84.2Confident6 Ų652.5 Ų52.53%0.0326%0.26CS..Hα-helixtrans-59.2-41.6-177-178.463.976.700111.9I17 L20 S25 E26 L28 A41 I89 S93 A94 L95I17-M91 HydrophobicContact CG2-SD 4.37Å; L20-M91 HydrophobicContact CB-CE 4.16Å; S25-M91 WeakPolarHBondContact O-CB 3.49Å; E26-M91 VanDerWaalsContact O-CB 3.22Å; E26-M91 WeakPolarHBondContact O-CB 3.15Å; E26-M91 PolarHBondContact O-N 2.83Å; L28-M91 HydrophobicContact CB-CE 3.83Å; L28-M91 HydrophobicContact CB-SD 4.17Å; L28-M91 HydrophobicContact CD1-CE 3.98Å; L28-M91 HydrophobicContact CG-CE 4.42Å; A41-M91 HydrophobicContact CB-CE 4.09Å; I89-M91 PolarHBondContact O-N 2.83Å; M91-S93 PolarHBondContact O-N 2.85Å; M91-A94 WeakPolarHBondContact O-CB 3.37Å; M91-A94 PolarHBondContact O-N 2.86Å; M91-L95 HydrophobicContact CG-CD1 4.47Å; M91-L95 WeakPolarHBondContact O-CG 3.35Å; M91-L95 PolarHBondContact O-N 3.11Å
92R95.2Very high86.5Confident199 Ų19944.4 Ų44.475%0.75124%0.239SC*.Hα-helixtrans-62-44.4177.9-173.3178.7-178.4124.6-1.9111.7G90 L95 L96G90-R92 VanDerWaalsContact C-N 3.32Å; G90-R92 PolarHBondContact O-N 3.36Å; R92-L95 PolarHBondContact O-N 2.76Å; R92-L96 HydrophobicContact CG-CD1 4.19Å; R92-L96 WeakPolarHBondContact O-CG 3.49Å; R92-L96 PolarHBondContact O-N 3.43Å; R92-L96 VanDerWaalsContact O-N 3.11Å
93S94.3Very high88.3Confident58 Ų5844.6 Ų44.641%0.40624%0.243SC..Hα-helixtrans-64.4-42.6177.5-55.20000110.9G90 M91 L96 T97G90-S93 PolarHBondContact O-N 2.97Å; M91-S93 PolarHBondContact O-N 2.85Å; S93-L96 PolarHBondContact O-N 3.41Å; S93-T97 VanDerWaalsContact O-CB 3.26Å; S93-T97 WeakPolarHBondContact O-CB 3.39Å; S93-T97 PolarHBondContact O-N 3.39Å; S93-T97 PolarHBondContact O-OG1 2.86Å; S93-T97 VanDerWaalsContact O-OG1 3.11Å
94A94.6Very high90Very high0 Ų042.7 Ų42.70%023%0.23CC..Hα-helixtrans-57.8-50.1174.100000111.5L28 I89 G90 M91 L96 T97 L98 L134L28-A94 HydrophobicContact CD2-CB 4Å; I89-A94 HydrophobicContact CD1-CB 3.77Å; I89-A94 HydrophobicContact CG1-CB 4.32Å; G90-A94 PolarHBondContact O-N 2.93Å; M91-A94 WeakPolarHBondContact O-CB 3.37Å; M91-A94 PolarHBondContact O-N 2.86Å; A94-L96 PolarHBondContact O-N 2.82Å; A94-T97 PolarHBondContact O-N 2.89Å; A94-L98 HydrophobicContact CB-CD1 4.18Å; A94-L98 WeakPolarHBondContact O-CA 3.31Å; A94-L98 WeakPolarHBondContact O-CB 3.48Å; A94-L98 WeakPolarHBondContact O-CG 3.48Å; A94-L98 PolarHBondContact O-N 2.97Å; A94-L134 HydrophobicContact CB-CD1 4.46Å
95L95.2Very high91.3Very high46 Ų4642.9 Ų42.924%0.24123%0.227CC..Hα-helixtrans-60.9-42.4-179.7-75.3174000113.9I17 Q18 M91 R92 K99I17-L95 HydrophobicContact CG2-CD2 4.06Å; Q18-L95 HydrophobicContact CG-CD2 4.17Å; M91-L95 HydrophobicContact CG-CD1 4.47Å; M91-L95 WeakPolarHBondContact O-CG 3.35Å; M91-L95 PolarHBondContact O-N 3.11Å; R92-L95 PolarHBondContact O-N 2.76Å; L95-K99 PolarHBondContact O-N 3.28Å
96L93.2Very high92Very high123 Ų12344 Ų4464%0.64424%0.236SC*.Hα-helixtrans-68.9-45.9-178.2-70.3174.2000111.4R92 S93 A94R92-L96 HydrophobicContact CG-CD1 4.19Å; R92-L96 WeakPolarHBondContact O-CG 3.49Å; R92-L96 PolarHBondContact O-N 3.43Å; R92-L96 VanDerWaalsContact O-N 3.11Å; S93-L96 PolarHBondContact O-N 3.41Å; A94-L96 PolarHBondContact O-N 2.82Å
97T89.7Confident92.5Very high28 Ų2843.5 Ų43.517%0.17224%0.235CC..Hα-helixtrans-72.1-44.7-178-65.50000111.9S93 A94 K99 S100 Y132 L134S93-T97 VanDerWaalsContact O-CB 3.26Å; S93-T97 WeakPolarHBondContact O-CB 3.39Å; S93-T97 PolarHBondContact O-N 3.39Å; S93-T97 PolarHBondContact O-OG1 2.86Å; S93-T97 VanDerWaalsContact O-OG1 3.11Å; A94-T97 PolarHBondContact O-N 2.89Å; T97-K99 VanDerWaalsContact C-N 3.28Å; T97-K99 PolarHBondContact O-N 3Å; T97-S100 PolarHBondContact O-OG 2.84Å; T97-Y132 HydrophobicContact CG2-CD1 3.72Å; T97-Y132 HydrophobicContact CG2-CD2 4.28Å; T97-Y132 HydrophobicContact CG2-CG 3.52Å; T97-L134 HydrophobicContact CG2-CD1 4.3Å; T97-L134 HydrophobicContact CG2-CD2 4.21Å; T97-L134 HydrophobicContact CG2-CG 4.23Å; T97-L134 WeakPolarHBondContact OG1-CD2 3.11Å
98L91.4Very high92.7Very high0 Ų049.2 Ų49.20%026%0.256CS..Hα-helixtrans-84.1-0.3-173.8-54.3178.5000113.3Y14 I17 A94 S100 L101 F120Y14-L98 HydrophobicContact CD2-CB 4.07Å; Y14-L98 WeakPolarHBondContact CD2-O 3.37Å; Y14-L98 VanDerWaalsContact CE2-C 3.48Å; Y14-L98 HydrophobicContact CE2-CB 4.32Å; Y14-L98 WeakPolarHBondContact CE2-O 3.03Å; I17-L98 HydrophobicContact CD1-CD1 3.5Å; I17-L98 VanDerWaalsContact CD1-CD1 3.5Å; A94-L98 HydrophobicContact CB-CD1 4.18Å; A94-L98 WeakPolarHBondContact O-CA 3.31Å; A94-L98 WeakPolarHBondContact O-CB 3.48Å; A94-L98 WeakPolarHBondContact O-CG 3.48Å; A94-L98 PolarHBondContact O-N 2.97Å; L98-S100 PolarHBondContact O-N 3.49Å; L98-S100 VanDerWaalsContact O-N 3.1Å; L98-L101 HydrophobicContact CB-CD1 3.9Å; L98-L101 HydrophobicContact CB-CG 4.08Å; L98-L101 HydrophobicContact CD2-CD1 4.08Å; L98-L101 HydrophobicContact CD2-CG 4.33Å; L98-L101 HydrophobicContact CG-CD1 4.38Å; L98-L101 WeakPolarHBondContact O-CB 3.26Å; L98-L101 VanDerWaalsContact O-CG 3.3Å; L98-L101 WeakPolarHBondContact O-CG 3.29Å; L98-L101 PolarHBondContact O-N 2.88Å; L98-F120 HydrophobicContact CD1-CE1 4.06Å; L98-F120 HydrophobicContact CD1-CZ 3.95Å; L98-F120 HydrophobicContact CD2-CB 4.26Å; L98-F120 HydrophobicContact CD2-CD1 3.36Å; L98-F120 HydrophobicContact CD2-CD2 3.74Å; L98-F120 HydrophobicContact CD2-CE1 3.47Å; L98-F120 VanDerWaalsContact CD2-CE1 3.47Å; L98-F120 HydrophobicContact CD2-CE2 3.81Å; L98-F120 HydrophobicContact CD2-CG 3.51Å; L98-F120 HydrophobicContact CD2-CZ 3.7Å; L98-F120 HydrophobicContact CG-CE1 4.42Å; L98-F120 HydrophobicContact CG-CZ 4.41Å
99K92.2Very high92.8Very high147 Ų14747.6 Ų47.664%0.63925%0.249SC*.G310 helixtrans-52.5-31.4168-173.5177.1179.6-179.90112.3L95 T97 L101 A102L95-K99 PolarHBondContact O-N 3.28Å; T97-K99 VanDerWaalsContact C-N 3.28Å; T97-K99 PolarHBondContact O-N 3Å; K99-L101 PolarHBondContact O-N 2.93Å; K99-A102 WeakPolarHBondContact O-CB 3.35Å; K99-A102 PolarHBondContact O-N 3.24Å
100S87.4Confident92.7Very high15 Ų1550.7 Ų50.711%0.10526%0.263CS..G310 helixtrans-56.7-34.8174.553.50000113.6T97 L98 A102 S103 V104T97-S100 PolarHBondContact O-OG 2.84Å; L98-S100 PolarHBondContact O-N 3.49Å; L98-S100 VanDerWaalsContact O-N 3.1Å; S100-A102 PolarHBondContact O-N 3.46Å; S100-S103 PolarHBondContact O-N 3.08Å; S100-S103 PolarHBondContact O-OG 2.92Å; S100-V104 WeakPolarHBondContact O-CG1 3.48Å; S100-V104 PolarHBondContact O-N 3.37Å
101L88.4Confident92.4Very high0 Ų050.2 Ų50.20%026%0.256CS..G310 helixtrans-59.2-20.1-178.2-60.2-171.9000113.3L13 Y14 L98 K99 S103 V104 V107L13-L101 HydrophobicContact CD2-CD1 4.34Å; Y14-L101 HydrophobicContact CG-CB 4.4Å; L98-L101 HydrophobicContact CB-CD1 3.9Å; L98-L101 HydrophobicContact CB-CG 4.08Å; L98-L101 HydrophobicContact CD2-CD1 4.08Å; L98-L101 HydrophobicContact CD2-CG 4.33Å; L98-L101 HydrophobicContact CG-CD1 4.38Å; L98-L101 WeakPolarHBondContact O-CB 3.26Å; L98-L101 VanDerWaalsContact O-CG 3.3Å; L98-L101 WeakPolarHBondContact O-CG 3.29Å; L98-L101 PolarHBondContact O-N 2.88Å; K99-L101 PolarHBondContact O-N 2.93Å; L101-S103 PolarHBondContact O-N 3.47Å; L101-V104 HydrophobicContact CD2-CG1 4.37Å; L101-V104 HydrophobicContact CD2-CG2 4.39Å; L101-V107 HydrophobicContact CD2-CB 3.9Å; L101-V107 HydrophobicContact CD2-CG1 3.98Å; L101-V107 HydrophobicContact CD2-CG2 3.77Å
102A88Confident91.8Very high44 Ų4451.5 Ų51.536%0.36426%0.263SS..G310 helixtrans-66.3-19.1174.900000113.6K11 Y14 K99 S100K11-A102 WeakPolarHBondContact CE-O 2.89Å; Y14-A102 HydrophobicContact CD1-CB 4.12Å; Y14-A102 HydrophobicContact CE1-CB 4.32Å; K99-A102 WeakPolarHBondContact O-CB 3.35Å; K99-A102 PolarHBondContact O-N 3.24Å; S100-A102 PolarHBondContact O-N 3.46Å
103S89.5Confident91.1Very high75 Ų7545.3 Ų45.352%0.52425%0.248SC..SBendtrans-135.715.6-176.367.30000114.5S100 L101S100-S103 PolarHBondContact O-N 3.08Å; S100-S103 PolarHBondContact O-OG 2.92Å; L101-S103 PolarHBondContact O-N 3.47Å
104V92.5Very high90.5Very high0 Ų049.4 Ų49.40%027%0.265CS..  trans-75153.1174.5-62.60000111.7S7 A10 S100 L101 C122 F124S7-V104 WeakPolarHBondContact CB-O 3.48Å; S7-V104 PolarHBondContact OG-O 2.81Å; A10-V104 HydrophobicContact CB-CG2 3.56Å; S100-V104 WeakPolarHBondContact O-CG1 3.48Å; S100-V104 PolarHBondContact O-N 3.37Å; L101-V104 HydrophobicContact CD2-CG1 4.37Å; L101-V104 HydrophobicContact CD2-CG2 4.39Å; V104-C122 HydrophobicContact CG1-CB 3.69Å; V104-F124 HydrophobicContact CG1-CD1 4.24Å; V104-F124 HydrophobicContact CG1-CE1 3.75Å; V104-F124 HydrophobicContact CG1-CZ 3.93Å
105D92.9Very high89.9Confident66 Ų6654.4 Ų54.435%0.35329%0.292SS..SBendtrans-84.7-38.8168.2-70.7-16.4000110.4S7 L123 R125S7-D105 WeakPolarHBondContact CA-O 3.47Å; S7-D105 WeakPolarHBondContact CB-O 3.43Å; S7-D105 PolarHBondContact N-O 3.25Å; D105-L123 PolarHBondContact N-O 3.19Å; D105-R125 WeakPolarHBondContact OD1-CG 3.47Å; D105-R125 WeakPolarHBondContact OD2-CA 3.26Å; D105-R125 WeakPolarHBondContact OD2-CG 3.12Å; D105-R125 PolarHBondContact OD2-N 3.03Å
106S94Very high89.5Confident45 Ų4555.7 Ų55.732%0.31530%0.304SS..EExtended strand (participates in β ladder)trans-153.6156170.162.60000111.4L5 L123L5-S106 VanDerWaalsContact O-CA 3.31Å; L5-S106 WeakPolarHBondContact O-CA 3.37Å; L5-S106 WeakPolarHBondContact O-CB 3.42Å; S106-L123 PolarHBondContact N-O 3.31Å; S106-L123 PolarHBondContact O-N 2.94Å; S106-L123 WeakPolarHBondContact OG-CB 3.42Å
107V95.6Very high89.4Confident2 Ų251.9 Ų51.91%0.01228%0.281CS..EExtended strand (participates in β ladder)trans-132.4139.4172.759.10000110.3S4 L5 A10 L101 I109 F120 A121S4-V107 CarbonylContact C-O 3.57Å; S4-V107 VanDerWaalsContact CA-O 3.27Å; S4-V107 WeakPolarHBondContact CA-O 3.37Å; L5-V107 HydrophobicContact CB-CG1 3.79Å; L5-V107 HydrophobicContact CD1-CG1 3.75Å; L5-V107 HydrophobicContact CG-CG1 4.35Å; L5-V107 PolarHBondContact N-O 3.17Å; L5-V107 PolarHBondContact O-N 3.28Å; L5-V107 VanDerWaalsContact O-N 3.09Å; A10-V107 HydrophobicContact CB-CG1 3.85Å; L101-V107 HydrophobicContact CD2-CB 3.9Å; L101-V107 HydrophobicContact CD2-CG1 3.98Å; L101-V107 HydrophobicContact CD2-CG2 3.77Å; V107-I109 HydrophobicContact CG2-CG1 4.21Å; V107-F120 HydrophobicContact CG2-CB 4.47Å; V107-A121 WeakPolarHBondContact CA-O 3.44Å
108R95.3Very high89.5Confident126 Ų12650.6 Ų50.648%0.47527%0.273SS..EExtended strand (participates in β ladder)trans-106.1131.3164.6172.4-173.1-83130.2-5.6108.6E2 C3 F120 A121E2-R108 HydrophobicContact CG-CG 4.21Å; E2-R108 WeakPolarHBondContact OE1-CD 3.5Å; E2-R108 IonicContact OE1-CZ 2.62Å; E2-R108 IonicContact OE1-NE 2.76Å; E2-R108 PolarHBondContact OE1-NE 2.78Å; E2-R108 IonicContact OE1-NH2 3.61Å; C3-R108 CarbonylContact O-C 3.56Å; C3-R108 WeakPolarHBondContact O-CA 3.38Å; R108-F120 CarbonylContact O-C 3.48Å; R108-F120 WeakPolarHBondContact O-CA 3.42Å; R108-A121 HydrophobicContact CB-CB 4.28Å; R108-A121 PolarHBondContact N-O 2.93Å; R108-A121 PolarHBondContact O-N 3.43Å
109I93.9Very high89.6Confident0 Ų052.4 Ų52.40%028%0.282CS..EExtended strand (participates in β ladder)trans-112.5128.7176.4-50.4178.1000107.5E2 C3 L5 L13 V107 V118 Q119 F120E2-I109 CarbonylContact C-O 3.56Å; E2-I109 WeakPolarHBondContact CA-O 3.36Å; C3-I109 PolarHBondContact N-O 3Å; C3-I109 PolarHBondContact O-N 3.04Å; L5-I109 HydrophobicContact CD1-CD1 3.59Å; L5-I109 HydrophobicContact CD1-CG1 4.03Å; L13-I109 HydrophobicContact CD2-CD1 3.75Å; V107-I109 HydrophobicContact CG2-CG1 4.21Å; I109-V118 HydrophobicContact CG2-CG2 3.89Å; I109-Q119 WeakPolarHBondContact CA-O 3.46Å; I109-F120 HydrophobicContact CB-CD1 4.48Å; I109-F120 HydrophobicContact CD1-CD1 4.18Å; I109-F120 HydrophobicContact CD1-CE1 3.9Å; I109-F120 HydrophobicContact CG1-CD1 3.8Å; I109-F120 HydrophobicContact CG1-CE1 3.95Å; I109-F120 HydrophobicContact CG2-CD1 4.19Å; I109-F120 HydrophobicContact CG2-CE1 3.86Å; I109-F120 HydrophobicContact CG2-CZ 4.34Å
110E92.1Very high89.6Confident66 Ų6645.5 Ų45.531%0.30825%0.252SS..EExtended strand (participates in β ladder)trans-133124179.7-179.3174.7-159.800108.9M1 V118 Q119M1-E110 WeakPolarHBondContact O-CA 3.5Å; E110-V118 CarbonylContact O-C 3.53Å; E110-V118 WeakPolarHBondContact O-CA 3.42Å; E110-Q119 HydrophobicContact CB-CB 4.35Å; E110-Q119 PolarHBondContact N-O 3.32Å; E110-Q119 PolarHBondContact O-N 2.89Å; E110-Q119 PolarHBondContact OE2-NE2 3.04Å; E110-Q119 VanDerWaalsContact OE2-NE2 3.17Å
111I89.1Confident90Very high8 Ų845.5 Ų45.54%0.04125%0.253CS..EExtended strand (participates in β ladder)trans-98.6111.5173.6-57.9172.5000106.8M1 F30 T113 V118 L136M1-I111 HydrophobicContact CB-CD1 4.47Å; M1-I111 PolarHBondContact N-O 2.76Å; M1-I111 VanDerWaalsContact N-O 3.16Å; M1-I111 PolarHBondContact O-N 3.38Å; M1-I111 HydrophobicContact SD-CD1 3.76Å; M1-I111 HydrophobicContact SD-CG1 4.04Å; F30-I111 HydrophobicContact CB-CD1 4.46Å; I111-T113 HydrophobicContact CG2-CG2 4.4Å; I111-V118 HydrophobicContact CG1-CB 4.47Å; I111-V118 HydrophobicContact CG1-CG2 4Å; I111-L136 HydrophobicContact CG2-CD1 4.2Å
112D84.4Confident90.3Very high33 Ų3345.5 Ų45.518%0.17625%0.253CS..EExtended strand (participates in β ladder)trans-100.8106.5173.6-167.4-30000108.7D114 D115 C116 Y117D112-D114 PolarHBondContact OD1-N 3.2Å; D112-D115 PolarHBondContact OD1-N 2.85Å; D112-C116 PolarHBondContact O-N 3.1Å; D112-Y117 HydrophobicContact CB-CD2 4.11Å; D112-Y117 HydrophobicContact CB-CE2 3.71Å; D112-Y117 PolarHBondContact N-O 3.26Å; D112-Y117 PolarHBondContact O-N 2.68Å; D112-Y117 VanDerWaalsContact O-N 3.12Å; D112-Y117 VanDerWaalsContact O-O 3.09Å; D112-Y117 PolarHBondContact OD2-OH 3.4Å
113T79.4Confident90.7Very high70 Ų7046.6 Ų46.643%0.42925%0.252SS..THydrogen-bonded Turntrans-78.8-22.8178.449.30000113P84 I111P84-T113 VanDerWaalsContact O-CG2 3.24Å; P84-T113 WeakPolarHBondContact O-CG2 3.37Å; I111-T113 HydrophobicContact CG2-CG2 4.4Å
114D81.1Confident90.8Very high144 Ų14444.4 Ų44.477%0.7723%0.233SC*.THydrogen-bonded Turntrans-78-44.6-176.2-64-25.4000109.4D112 C116D112-D114 PolarHBondContact OD1-N 3.2Å; D114-C116 VanDerWaalsContact C-N 3.35Å
115D82.8Confident90.6Very high104 Ų10453.4 Ų53.456%0.55627%0.267SS*.THydrogen-bonded Turntrans-89.72.3176.4-71.2-24.9000113.9D112 Y117D112-D115 PolarHBondContact OD1-N 2.85Å; D115-Y117 HydrophobicContact CB-CD1 3.45Å; D115-Y117 VanDerWaalsContact CB-CD1 3.45Å; D115-Y117 HydrophobicContact CB-CE1 3.05Å; D115-Y117 WeakPolarHBondContact O-CD1 3.25Å; D115-Y117 PolarHBondContact O-N 2.97Å; D115-Y117 WeakPolarHBondContact OD2-CE1 3.45Å; D115-Y117 PolarHBondContact OD2-OH 3.33Å
116C87.6Confident90.4Very high73 Ų7359.3 Ų59.349%0.49329%0.292SS..THydrogen-bonded Turntrans56.241.4177.1-59.50000114.6D112 D114 L136D112-C116 PolarHBondContact O-N 3.1Å; D114-C116 VanDerWaalsContact C-N 3.35Å; C116-L136 PolarHBondContact O-N 3.27Å
117Y90.4Very high90.2Very high44 Ų4460 Ų6017%0.17331%0.306CS..EExtended strand (participates in β ladder)trans-134.8157.517262.2-105.3000113.2D112 D115 Q119 Q133 L134D112-Y117 HydrophobicContact CB-CD2 4.11Å; D112-Y117 HydrophobicContact CB-CE2 3.71Å; D112-Y117 PolarHBondContact N-O 3.26Å; D112-Y117 PolarHBondContact O-N 2.68Å; D112-Y117 VanDerWaalsContact O-N 3.12Å; D112-Y117 VanDerWaalsContact O-O 3.09Å; D112-Y117 PolarHBondContact OD2-OH 3.4Å; D115-Y117 HydrophobicContact CB-CD1 3.45Å; D115-Y117 VanDerWaalsContact CB-CD1 3.45Å; D115-Y117 HydrophobicContact CB-CE1 3.05Å; D115-Y117 WeakPolarHBondContact O-CD1 3.25Å; D115-Y117 PolarHBondContact O-N 2.97Å; D115-Y117 WeakPolarHBondContact OD2-CE1 3.45Å; D115-Y117 PolarHBondContact OD2-OH 3.33Å; Y117-Q119 HydrophobicContact CD2-CB 4.02Å; Y117-Q119 HydrophobicContact CE2-CB 3.96Å; Y117-Q133 HydrophobicContact CD2-CG 4.22Å; Y117-L134 CarbonylContact C-O 3.47Å; Y117-L134 VanDerWaalsContact CA-O 3.31Å; Y117-L134 WeakPolarHBondContact CA-O 3.43Å; Y117-L134 WeakPolarHBondContact CB-O 3.32Å
118V91.3Very high90Very high0 Ų063.8 Ų63.80%033%0.325CS..EExtended strand (participates in β ladder)trans-106.7126.6161.458.20000109.2I89 I109 E110 I111 F120 Q133 L134 L136I89-V118 HydrophobicContact CD1-CG1 4.36Å; I89-V118 HydrophobicContact CG2-CG1 3.72Å; I109-V118 HydrophobicContact CG2-CG2 3.89Å; E110-V118 CarbonylContact O-C 3.53Å; E110-V118 WeakPolarHBondContact O-CA 3.42Å; I111-V118 HydrophobicContact CG1-CB 4.47Å; I111-V118 HydrophobicContact CG1-CG2 4Å; V118-F120 HydrophobicContact CB-CE2 4.28Å; V118-F120 HydrophobicContact CG1-CE2 3.71Å; V118-F120 HydrophobicContact CG1-CZ 4.26Å; V118-F120 HydrophobicContact CG2-CD2 4.41Å; V118-F120 HydrophobicContact CG2-CE2 3.71Å; V118-F120 HydrophobicContact CG2-CZ 3.8Å; V118-Q133 WeakPolarHBondContact O-CA 3.33Å; V118-L134 HydrophobicContact CG1-CB 3.82Å; V118-L134 PolarHBondContact N-O 2.88Å; V118-L134 PolarHBondContact O-N 3.32Å; V118-L136 HydrophobicContact CB-CD2 3.99Å; V118-L136 HydrophobicContact CG1-CD2 4.04Å
119Q93.1Very high90Very high39 Ų3963 Ų6318%0.18233%0.33CS..EExtended strand (participates in β ladder)trans-103132.4-177.4178.9168.4-93.700110.7I109 E110 Y117 T131 Y132 Q133I109-Q119 WeakPolarHBondContact CA-O 3.46Å; E110-Q119 HydrophobicContact CB-CB 4.35Å; E110-Q119 PolarHBondContact N-O 3.32Å; E110-Q119 PolarHBondContact O-N 2.89Å; E110-Q119 PolarHBondContact OE2-NE2 3.04Å; E110-Q119 VanDerWaalsContact OE2-NE2 3.17Å; Y117-Q119 HydrophobicContact CD2-CB 4.02Å; Y117-Q119 HydrophobicContact CE2-CB 3.96Å; Q119-T131 HydrophobicContact CG-CG2 3.48Å; Q119-T131 VanDerWaalsContact CG-CG2 3.48Å; Q119-Y132 CarbonylContact C-O 3.46Å; Q119-Y132 WeakPolarHBondContact CA-O 3.5Å; Q119-Q133 HydrophobicContact CB-CG 4.43Å; Q119-Q133 HydrophobicContact CG-CG 4.4Å
120F94Very high90Very high2 Ų269.6 Ų69.61%0.00936%0.355CS..EExtended strand (participates in β ladder)trans-118.6103.2173.9-60.2-94.7000109.1F30 L98 V107 R108 I109 V118 T131 Y132 L134F30-F120 HydrophobicContact CZ-CZ 4.35Å; L98-F120 HydrophobicContact CD1-CE1 4.06Å; L98-F120 HydrophobicContact CD1-CZ 3.95Å; L98-F120 HydrophobicContact CD2-CB 4.26Å; L98-F120 HydrophobicContact CD2-CD1 3.36Å; L98-F120 HydrophobicContact CD2-CD2 3.74Å; L98-F120 HydrophobicContact CD2-CE1 3.47Å; L98-F120 VanDerWaalsContact CD2-CE1 3.47Å; L98-F120 HydrophobicContact CD2-CE2 3.81Å; L98-F120 HydrophobicContact CD2-CG 3.51Å; L98-F120 HydrophobicContact CD2-CZ 3.7Å; L98-F120 HydrophobicContact CG-CE1 4.42Å; L98-F120 HydrophobicContact CG-CZ 4.41Å; V107-F120 HydrophobicContact CG2-CB 4.47Å; R108-F120 CarbonylContact O-C 3.48Å; R108-F120 WeakPolarHBondContact O-CA 3.42Å; I109-F120 HydrophobicContact CB-CD1 4.48Å; I109-F120 HydrophobicContact CD1-CD1 4.18Å; I109-F120 HydrophobicContact CD1-CE1 3.9Å; I109-F120 HydrophobicContact CG1-CD1 3.8Å; I109-F120 HydrophobicContact CG1-CE1 3.95Å; I109-F120 HydrophobicContact CG2-CD1 4.19Å; I109-F120 HydrophobicContact CG2-CE1 3.86Å; I109-F120 HydrophobicContact CG2-CZ 4.34Å; V118-F120 HydrophobicContact CB-CE2 4.28Å; V118-F120 HydrophobicContact CG1-CE2 3.71Å; V118-F120 HydrophobicContact CG1-CZ 4.26Å; V118-F120 HydrophobicContact CG2-CD2 4.41Å; V118-F120 HydrophobicContact CG2-CE2 3.71Å; V118-F120 HydrophobicContact CG2-CZ 3.8Å; F120-T131 CarbonylContact O-C 3.59Å; F120-T131 WeakPolarHBondContact O-CA 3.37Å; F120-Y132 PolarHBondContact N-O 3.12Å; F120-Y132 PolarHBondContact O-N 3.32Å; F120-L134 HydrophobicContact CE2-CD1 3.93Å; F120-L134 HydrophobicContact CE2-CG 4.4Å
121A95.1Very high90.1Very high15 Ų1570 Ų7012%0.12436%0.362CS..EExtended strand (participates in β ladder)trans-92.899.6174.900000109.4V107 R108 L129V107-A121 WeakPolarHBondContact CA-O 3.44Å; R108-A121 HydrophobicContact CB-CB 4.28Å; R108-A121 PolarHBondContact N-O 2.93Å; R108-A121 PolarHBondContact O-N 3.43Å; A121-L129 HydrophobicContact CB-CD1 4.28Å
122C94.8Very high90.3Very high0 Ų072.3 Ų72.30%037%0.371CS..EExtended strand (participates in β ladder)trans-95.6116.7-175.7-66.40000110.9V104 F124 L129 R130 Y132V104-C122 HydrophobicContact CG1-CB 3.69Å; C122-F124 HydrophobicContact CB-CD2 4.44Å; C122-F124 HydrophobicContact CB-CE2 3.61Å; C122-F124 HydrophobicContact CB-CZ 3.92Å; C122-F124 WeakPolarHBondContact O-CD2 3.14Å; C122-F124 WeakPolarHBondContact O-CE2 3.35Å; C122-L129 WeakPolarHBondContact O-CA 3.11Å; C122-R130 WeakPolarHBondContact CB-O 3.36Å; C122-R130 PolarHBondContact N-O 3.4Å; C122-R130 PolarHBondContact O-N 3.39Å; C122-Y132 HydrophobicContact CB-CE2 4.27Å
123L95.1Very high90.7Very high66 Ų6676.1 Ų76.135%0.34639%0.387SS..EExtended strand (participates in β ladder)trans-94.1126.4172.2-174.566.8000109.6D105 S106D105-L123 PolarHBondContact N-O 3.19Å; S106-L123 PolarHBondContact N-O 3.31Å; S106-L123 PolarHBondContact O-N 2.94Å; S106-L123 WeakPolarHBondContact OG-CB 3.42Å
124F92.4Very high91.4Very high29 Ų2973.2 Ų73.213%0.12737%0.369CS..  trans-110.9170.8177.9-58.7-95.6000111.2V104 C122 G127 I128 R130V104-F124 HydrophobicContact CG1-CD1 4.24Å; V104-F124 HydrophobicContact CG1-CE1 3.75Å; V104-F124 HydrophobicContact CG1-CZ 3.93Å; C122-F124 HydrophobicContact CB-CD2 4.44Å; C122-F124 HydrophobicContact CB-CE2 3.61Å; C122-F124 HydrophobicContact CB-CZ 3.92Å; C122-F124 WeakPolarHBondContact O-CD2 3.14Å; C122-F124 WeakPolarHBondContact O-CE2 3.35Å; F124-G127 PolarHBondContact O-N 2.95Å; F124-G127 VanDerWaalsContact O-N 3.12Å; F124-I128 HydrophobicContact CB-CB 4.31Å; F124-I128 HydrophobicContact CD2-CG2 4.48Å; F124-I128 WeakPolarHBondContact CD2-O 3.5Å; F124-I128 PolarHBondContact N-O 2.86Å; F124-R130 HydrophobicContact CD2-CG 4.36Å; F124-R130 HydrophobicContact CE2-CB 3.92Å; F124-R130 HydrophobicContact CE2-CG 3.84Å
125R88.1Confident92Very high190 Ų19070.5 Ų70.572%0.71736%0.359SS*.G310 helixtrans-49.6144.3171.6-64.8-177.3-175.6170-0.6110.6D105 G127D105-R125 WeakPolarHBondContact OD1-CG 3.47Å; D105-R125 WeakPolarHBondContact OD2-CA 3.26Å; D105-R125 WeakPolarHBondContact OD2-CG 3.12Å; D105-R125 PolarHBondContact OD2-N 3.03Å; R125-G127 PolarHBondContact O-N 2.78Å
126Q88.5Confident92.4Very high190 Ų19067.1 Ų67.189%0.88834%0.341SS*.G310 helixtrans69.216.2-176.8-49.7171.5-10.400114.3I128Q126-I128 VanDerWaalsContact C-N 3.34Å; Q126-I128 PolarHBondContact O-N 2.92Å
127G89.5Confident92.5Very high58 Ų5867 Ų6760%0.59834%0.335SS*.G310 helixtrans79.514.4171.800000114.5F124 R125 L129F124-G127 PolarHBondContact O-N 2.95Å; F124-G127 VanDerWaalsContact O-N 3.12Å; R125-G127 PolarHBondContact O-N 2.78Å; G127-L129 PolarHBondContact O-N 2.93Å
128I93Very high92.1Very high82 Ų8271.4 Ų71.442%0.42136%0.357SS..  trans-71.1119.7176.3-60.5170.9000108.3F124 Q126 R130F124-I128 HydrophobicContact CB-CB 4.31Å; F124-I128 HydrophobicContact CD2-CG2 4.48Å; F124-I128 WeakPolarHBondContact CD2-O 3.5Å; F124-I128 PolarHBondContact N-O 2.86Å; Q126-I128 VanDerWaalsContact C-N 3.34Å; Q126-I128 PolarHBondContact O-N 2.92Å; I128-R130 HydrophobicContact CG2-CG 4.26Å
129L94.3Very high91.6Very high111 Ų11172.7 Ų72.758%0.58137%0.366SS*.EExtended strand (participates in β ladder)trans-101.8124.1173-177.765000109.4A121 C122 G127A121-L129 HydrophobicContact CB-CD1 4.28Å; C122-L129 WeakPolarHBondContact O-CA 3.11Å; G127-L129 PolarHBondContact O-N 2.93Å
130R93.7Very high90.8Very high138 Ų13875 Ų7552%0.52138%0.376SS..EExtended strand (participates in β ladder)trans-119.4127.9168.5-59.2-177.4173.6176.3-3.8109.5C122 F124 I128 Y132C122-R130 WeakPolarHBondContact CB-O 3.36Å; C122-R130 PolarHBondContact N-O 3.4Å; C122-R130 PolarHBondContact O-N 3.39Å; F124-R130 HydrophobicContact CD2-CG 4.36Å; F124-R130 HydrophobicContact CE2-CB 3.92Å; F124-R130 HydrophobicContact CE2-CG 3.84Å; I128-R130 HydrophobicContact CG2-CG 4.26Å; R130-Y132 HydrophobicContact CB-CE2 3.9Å; R130-Y132 WeakPolarHBondContact CD-OH 3.43Å
131T94.2Very high89.9Confident73 Ų7378.2 Ų78.245%0.44839%0.393SS..EExtended strand (participates in β ladder)trans-105.8130.4176.3-55.60000109Q119 F120Q119-T131 HydrophobicContact CG-CG2 3.48Å; Q119-T131 VanDerWaalsContact CG-CG2 3.48Å; F120-T131 CarbonylContact O-C 3.59Å; F120-T131 WeakPolarHBondContact O-CA 3.37Å
132Y94Very high88.8Confident58 Ų5879.2 Ų79.223%0.22740%0.396CS..EExtended strand (participates in β ladder)trans-118.1135.3175.5-56.2-85.7000109.6T97 Q119 F120 C122 R130T97-Y132 HydrophobicContact CG2-CD1 3.72Å; T97-Y132 HydrophobicContact CG2-CD2 4.28Å; T97-Y132 HydrophobicContact CG2-CG 3.52Å; Q119-Y132 CarbonylContact C-O 3.46Å; Q119-Y132 WeakPolarHBondContact CA-O 3.5Å; F120-Y132 PolarHBondContact N-O 3.12Å; F120-Y132 PolarHBondContact O-N 3.32Å; C122-Y132 HydrophobicContact CB-CE2 4.27Å; R130-Y132 HydrophobicContact CB-CE2 3.9Å; R130-Y132 WeakPolarHBondContact CD-OH 3.43Å
133Q93.1Very high87.7Confident112 Ų11284 Ų8452%0.52342%0.418SS..EExtended strand (participates in β ladder)trans-117.1125.4176.3-68.7175.3-32.100108.4Y117 V118 Q119Y117-Q133 HydrophobicContact CD2-CG 4.22Å; V118-Q133 WeakPolarHBondContact O-CA 3.33Å; Q119-Q133 HydrophobicContact CB-CG 4.43Å; Q119-Q133 HydrophobicContact CG-CG 4.4Å
134L93.5Very high86.3Confident10 Ų1082.3 Ų82.35%0.05241%0.411CS..EExtended strand (participates in β ladder)trans-111.4128.5173.4-66.1178.8000108.7I89 A94 T97 Y117 V118 F120I89-L134 HydrophobicContact CD1-CD1 3.82Å; A94-L134 HydrophobicContact CB-CD1 4.46Å; T97-L134 HydrophobicContact CG2-CD1 4.3Å; T97-L134 HydrophobicContact CG2-CD2 4.21Å; T97-L134 HydrophobicContact CG2-CG 4.23Å; T97-L134 WeakPolarHBondContact OG1-CD2 3.11Å; Y117-L134 CarbonylContact C-O 3.47Å; Y117-L134 VanDerWaalsContact CA-O 3.31Å; Y117-L134 WeakPolarHBondContact CA-O 3.43Å; Y117-L134 WeakPolarHBondContact CB-O 3.32Å; V118-L134 HydrophobicContact CG1-CB 3.82Å; V118-L134 PolarHBondContact N-O 2.88Å; V118-L134 PolarHBondContact O-N 3.32Å; F120-L134 HydrophobicContact CE2-CD1 3.93Å; F120-L134 HydrophobicContact CE2-CG 4.4Å
135P92.7Very high85.1Confident86 Ų8686.2 Ų86.256%0.55843%0.433SS*.EExtended strand (participates in β ladder)trans-65.8138.217927.8-34.1000110.4
136L91.9Very high84.4Confident34 Ų3478.4 Ų78.418%0.17840%0.404CS..PPolyproline II helixtrans-75.1138.2170.8-58.2-176.3000109.2C87 I89 I111 C116 V118C87-L136 HydrophobicContact CB-CD1 4Å; C87-L136 HydrophobicContact CB-CD2 3.77Å; C87-L136 HydrophobicContact CB-CG 4.36Å; I89-L136 HydrophobicContact CG2-CD2 3.88Å; I111-L136 HydrophobicContact CG2-CD1 4.2Å; C116-L136 PolarHBondContact O-N 3.27Å; V118-L136 HydrophobicContact CB-CD2 3.99Å; V118-L136 HydrophobicContact CG1-CD2 4.04Å
137L90.3Very high83.6Confident69 Ų6973.9 Ų73.936%0.36139%0.386SS..BIsolated β-bridgetrans-99.1150.1175.4-56.9178.6000109.3K88 C139K88-L137 HydrophobicContact CB-CB 4.25Å; K88-L137 HydrophobicContact CD-CB 4.49Å; K88-L137 VanDerWaalsContact CE-CB 3.47Å; K88-L137 HydrophobicContact CG-CB 4.31Å; K88-L137 PolarHBondContact O-N 2.67Å; L137-C139 PolarHBondContact O-N 3.49Å
138Q81.7Confident83.2Confident138 Ų13876 Ų7665%0.64538%0.378SS*.PPolyproline II helixtrans-56.8133.2170.3-175-178.2-12.400110.1K88 M334K88-Q138 WeakPolarHBondContact CE-O 3.5Å; K88-Q138 PolarHBondContact NZ-O 2.94Å; Q138-M334 HydrophobicContact CG-SD 4.39Å; Q138-M334 PolarHBondContact NE2-SD 3.48Å
139C80.4Confident82.5Confident26 Ų2675.9 Ų75.918%0.17639%0.385CS..  trans-140.1148.4-170.865.50000113.1Y86 K88 L137Y86-C139 HydrophobicContact CD1-CB 4.4Å; Y86-C139 VanDerWaalsContact CD1-SG 3.59Å; Y86-C139 HydrophobicContact CE1-CB 4.11Å; K88-C139 HydrophobicContact CB-CB 3.48Å; K88-C139 VanDerWaalsContact CB-CB 3.48Å; K88-C139 HydrophobicContact CD-CB 4.14Å; K88-C139 HydrophobicContact CG-CB 4.43Å; L137-C139 PolarHBondContact O-N 3.49Å
140E76.8Confident81.8Confident87 Ų8773 Ų7341%0.40737%0.372SS..  trans-108.7151.6167.8-67175.3-175.300108.4Y86 M142Y86-E140 WeakPolarHBondContact CE1-O 3.46Å; Y86-E140 PolarHBondContact OH-O 2.93Å; E140-M142 PolarHBondContact O-N 3.4Å
141I75.3Confident81.4Confident71 Ų7167 Ų6736%0.36435%0.352SS..  trans-67.5122.6178.8-57.2-178.9000108.9T82 Q143T82-I141 HydrophobicContact CG2-CD1 4.45Å; T82-I141 HydrophobicContact CG2-CG1 3.95Å; I141-Q143 HydrophobicContact CG2-CG 4.08Å
142M70.8Confident81.2Confident36 Ų3669 Ų6918%0.17736%0.356CS..  trans-102.2112.3175.4-65.2-75.686.100109.8Y29 K40 F49 Y86 E140 F341Y29-M142 HydrophobicContact CD1-CG 4.38Å; Y29-M142 HydrophobicContact CE1-CG 3.89Å; Y29-M142 HydrophobicContact CE2-CG 4.4Å; K40-M142 PolarHBondContact NZ-O 2.79Å; F49-M142 HydrophobicContact CE2-CB 4.23Å; Y86-M142 WeakPolarHBondContact OH-CB 3.3Å; Y86-M142 PolarHBondContact OH-N 3.03Å; E140-M142 PolarHBondContact O-N 3.4Å; M142-F341 HydrophobicContact CE-CB 4.24Å
143Q71.8Confident81.2Confident100 Ų10066.3 Ų66.347%0.46735%0.345SS..  trans-131.2131.1172.2-75.4-176.6-19.300109.4I141 L145I141-Q143 HydrophobicContact CG2-CG 4.08Å; Q143-L145 PolarHBondContact O-N 3.11Å
144P67.3Low81.3Confident30 Ų3064.9 Ų64.920%0.19534%0.335CS..  trans-79.2121.3177.338-38.1000108F49 F146F49-P144 HydrophobicContact CD1-CB 3.68Å; F49-P144 HydrophobicContact CD1-CG 3.55Å; F49-P144 HydrophobicContact CE1-CB 3.99Å; F49-P144 VanDerWaalsContact CE1-CD 3.45Å; F49-P144 HydrophobicContact CE1-CG 3.41Å; F49-P144 VanDerWaalsContact CE1-CG 3.41Å; F49-P144 HydrophobicContact CG-CB 4.03Å; F49-P144 HydrophobicContact CG-CG 4.35Å; F49-P144 HydrophobicContact CZ-CG 4.15Å; P144-F146 HydrophobicContact CB-CD1 3.65Å; P144-F146 HydrophobicContact CB-CE1 3.55Å; P144-F146 HydrophobicContact CG-CD1 4.11Å; P144-F146 HydrophobicContact CG-CE1 3.56Å; P144-F146 PolarHBondContact O-N 3.44Å
145L66.3Low81.5Confident111 Ų11164.4 Ų64.458%0.58133%0.332SS*.  trans-97.756.6-175.9-69.3176.8000112Q143 W344Q143-L145 PolarHBondContact O-N 3.11Å; L145-W344 VanDerWaalsContact C-CD1 3.44Å; L145-W344 PolarHBondContact O-NE1 3.42Å
146F73.4Confident81.7Confident27 Ų2760.8 Ų60.812%0.11831%0.309CS..  trans-102.4146.4-178.959.3-85000112.2P144 K148 P255 I257 E269 V271 W344P144-F146 HydrophobicContact CB-CD1 3.65Å; P144-F146 HydrophobicContact CB-CE1 3.55Å; P144-F146 HydrophobicContact CG-CD1 4.11Å; P144-F146 HydrophobicContact CG-CE1 3.56Å; P144-F146 PolarHBondContact O-N 3.44Å; F146-K148 HydrophobicContact CD2-CG 3.81Å; F146-K148 HydrophobicContact CE2-CD 4.08Å; F146-K148 HydrophobicContact CE2-CG 3.45Å; F146-K148 VanDerWaalsContact CE2-CG 3.45Å; F146-K148 HydrophobicContact CZ-CG 4.49Å; F146-K148 PolarHBondContact O-N 2.63Å; F146-P255 HydrophobicContact CB-CG 4.16Å; F146-P255 HydrophobicContact CD2-CG 4.44Å; F146-I257 HydrophobicContact CD2-CD1 3.82Å; F146-I257 HydrophobicContact CD2-CG1 4.39Å; F146-I257 HydrophobicContact CE2-CD1 3.35Å; F146-I257 HydrophobicContact CE2-CG1 3.81Å; F146-I257 HydrophobicContact CZ-CD1 4.31Å; F146-I257 HydrophobicContact CZ-CG1 4.37Å; F146-E269 WeakPolarHBondContact CZ-OE1 3.42Å; F146-V271 HydrophobicContact CD1-CG1 4.06Å; F146-V271 HydrophobicContact CD1-CG2 4.4Å; F146-V271 HydrophobicContact CE1-CB 4.33Å; F146-V271 HydrophobicContact CE1-CG1 3.98Å; F146-V271 HydrophobicContact CE1-CG2 3.51Å; F146-V271 HydrophobicContact CE2-CG2 4.43Å; F146-V271 HydrophobicContact CG-CG1 4.48Å; F146-V271 HydrophobicContact CZ-CG1 4.3Å; F146-V271 HydrophobicContact CZ-CG2 3.52Å; F146-W344 HydrophobicContact CB-CH2 4.43Å; F146-W344 HydrophobicContact CB-CZ2 3.28Å
147D72Confident82Confident94 Ų9459.1 Ų59.150%0.50330%0.3SS..  trans-86.2105174-170.42.2000109.9S149 T150D147-S149 PolarHBondContact O-N 3.17Å; D147-S149 VanDerWaalsContact O-N 3.12Å; D147-S149 WeakPolarHBondContact OD1-CB 3.22Å; D147-S149 PolarHBondContact OD1-N 3.07Å; D147-S149 PolarHBondContact OD1-OG 2.95Å; D147-S149 PolarHBondContact OD2-OG 3.49Å; D147-T150 HydrophobicContact CB-CG2 4.37Å; D147-T150 PolarHBondContact O-N 2.91Å; D147-T150 PolarHBondContact O-OG1 2.96Å
148K80.6Confident82.3Confident102 Ų10257.9 Ų57.944%0.44330%0.296SS..G310 helixtrans-61-16.6173.7-72.8-176.5175.4-172.60112.5F146 T150 C151 I257 E269F146-K148 HydrophobicContact CD2-CG 3.81Å; F146-K148 HydrophobicContact CE2-CD 4.08Å; F146-K148 HydrophobicContact CE2-CG 3.45Å; F146-K148 VanDerWaalsContact CE2-CG 3.45Å; F146-K148 HydrophobicContact CZ-CG 4.49Å; F146-K148 PolarHBondContact O-N 2.63Å; K148-T150 VanDerWaalsContact C-N 3.26Å; K148-T150 PolarHBondContact O-N 2.79Å; K148-C151 PolarHBondContact O-N 3.44Å; K148-I257 HydrophobicContact CG-CD1 4.16Å; K148-E269 IonicContact NZ-OE1 2.67Å; K148-E269 PolarHBondContact NZ-OE1 2.84Å; K148-E269 IonicContact NZ-OE2 2.58Å; K148-E269 PolarHBondContact NZ-OE2 3.33Å
149S79.2Confident83Confident81 Ų8151.7 Ų51.757%0.56627%0.268SS*.G310 helixtrans-69.4-21.1-179.488.70000113.8D147 C151D147-S149 PolarHBondContact O-N 3.17Å; D147-S149 VanDerWaalsContact O-N 3.12Å; D147-S149 WeakPolarHBondContact OD1-CB 3.22Å; D147-S149 PolarHBondContact OD1-N 3.07Å; D147-S149 PolarHBondContact OD1-OG 2.95Å; D147-S149 PolarHBondContact OD2-OG 3.49Å; S149-C151 VanDerWaalsContact C-N 3.32Å
150T78.7Confident83.7Confident50 Ų5057.5 Ų57.531%0.30729%0.29SS..G310 helixtrans-75.7-24.2176.367.50000112.3D147 K148 Q152 D254D147-T150 HydrophobicContact CB-CG2 4.37Å; D147-T150 PolarHBondContact O-N 2.91Å; D147-T150 PolarHBondContact O-OG1 2.96Å; K148-T150 VanDerWaalsContact C-N 3.26Å; K148-T150 PolarHBondContact O-N 2.79Å; T150-Q152 PolarHBondContact O-N 3.37Å; T150-D254 PolarHBondContact OG1-OD1 3.23Å
151C84.9Confident84.5Confident13 Ų1355.2 Ų55.29%0.08828%0.282CS..  trans-89.696-176.6-58.80000111.2K148 S149 V248 P255K148-C151 PolarHBondContact O-N 3.44Å; S149-C151 VanDerWaalsContact C-N 3.32Å; C151-V248 HydrophobicContact CB-CG1 3.39Å; C151-P255 PolarHBondContact SG-O 3.37Å
152Q89.4Confident85.5Confident115 Ų11551.9 Ų51.954%0.53727%0.265SS..  trans-95-24.8-175.1-57.8-178.6-0.600113.7T150 A219 F220 F249T150-Q152 PolarHBondContact O-N 3.37Å; Q152-A219 HydrophobicContact CB-CB 3.81Å; Q152-F220 HydrophobicContact CB-CE1 3.79Å; Q152-F220 HydrophobicContact CG-CE1 4.15Å; Q152-F249 PolarHBondContact N-O 2.62Å
153N95Very high86.6Confident0 Ų050.8 Ų50.80%026%0.26CS..EExtended strand (participates in β ladder)trans-80.1130.4178.3-65.5-33.1000109.8A219 F220 T222 V248 F249N153-A219 PolarHBondContact OD1-N 3.33Å; N153-F220 PolarHBondContact ND2-O 3.07Å; N153-F220 PolarHBondContact OD1-N 3.39Å; N153-F220 PolarHBondContact OD1-O 3.35Å; N153-T222 WeakPolarHBondContact ND2-CB 3.44Å; N153-T222 PolarHBondContact ND2-OG1 3Å; N153-V248 VanDerWaalsContact O-CA 3.31Å; N153-V248 WeakPolarHBondContact O-CA 3.11Å; N153-F249 HydrophobicContact CB-CD2 4.1Å; N153-F249 HydrophobicContact CB-CE1 4.21Å; N153-F249 HydrophobicContact CB-CE2 3.77Å; N153-F249 HydrophobicContact CB-CG 4.45Å; N153-F249 HydrophobicContact CB-CZ 3.8Å; N153-F249 WeakPolarHBondContact CB-O 3.34Å; N153-F249 PolarHBondContact N-O 2.88Å; N153-F249 PolarHBondContact O-N 2.96Å; N153-F249 VanDerWaalsContact O-N 3.1Å
154R95.9Very high87.5Confident82 Ų8249.5 Ų49.531%0.30926%0.256SS..EExtended strand (participates in β ladder)trans-136.5119.1180-174.1172.3174-74-0.1112.3E215 D217 T246 F247 V248R154-E215 IonicContact CZ-OE2 3.22Å; R154-E215 IonicContact NH1-OE2 3.89Å; R154-E215 PolarHBondContact NH1-OE2 3.3Å; R154-E215 IonicContact NH2-OE2 3.7Å; R154-D217 CarbonylContact C-O 3.52Å; R154-D217 PolarHBondContact N-O 3Å; R154-D217 CarbonylContact O-C 3.57Å; R154-D217 WeakPolarHBondContact O-CA 3.23Å; R154-D217 WeakPolarHBondContact O-CB 3.48Å; R154-D217 PolarHBondContact O-N 2.81Å; R154-T246 HydrophobicContact CG-CG2 4.24Å; R154-F247 CarbonylContact C-O 3.49Å; R154-F247 VanDerWaalsContact CA-O 3.26Å; R154-F247 WeakPolarHBondContact CA-O 3.27Å; R154-V248 HydrophobicContact CB-CG2 4.39Å; R154-V248 HydrophobicContact CG-CG2 3.93Å
155L97.2Very high88.6Confident0 Ų048.3 Ų48.30%025%0.249CC..EExtended strand (participates in β ladder)trans-121.4144.5176.5-48.7178000110.3V181 M186 F213 E215 F216 V218 T246 F247 F249L155-V181 HydrophobicContact CD1-CG2 4.03Å; L155-M186 HydrophobicContact CD1-CB 4.43Å; L155-M186 HydrophobicContact CD1-CG 4.26Å; L155-M186 HydrophobicContact CD1-SD 3.38Å; L155-M186 WeakPolarHBondContact CD1-SD 3.34Å; L155-F213 HydrophobicContact CB-CD1 4.16Å; L155-F213 HydrophobicContact CB-CE1 4.37Å; L155-F213 HydrophobicContact CD1-CE1 4.32Å; L155-E215 CarbonylContact C-O 3.58Å; L155-E215 WeakPolarHBondContact CA-O 3.27Å; L155-F216 HydrophobicContact CD1-CD2 4.49Å; L155-F216 HydrophobicContact CD1-CE2 4.23Å; L155-F216 HydrophobicContact CD2-CB 4.24Å; L155-F216 HydrophobicContact CD2-CD1 4.18Å; L155-F216 HydrophobicContact CD2-CD2 3.48Å; L155-F216 VanDerWaalsContact CD2-CD2 3.48Å; L155-F216 HydrophobicContact CD2-CE1 4.44Å; L155-F216 HydrophobicContact CD2-CE2 3.8Å; L155-F216 HydrophobicContact CD2-CG 3.7Å; L155-F216 HydrophobicContact CD2-CZ 4.27Å; L155-V218 HydrophobicContact CD2-CG2 3.65Å; L155-T246 CarbonylContact O-C 3.46Å; L155-T246 WeakPolarHBondContact O-CA 3.35Å; L155-F247 HydrophobicContact CB-CB 4.12Å; L155-F247 HydrophobicContact CB-CD2 4.45Å; L155-F247 PolarHBondContact N-O 3.4Å; L155-F247 PolarHBondContact O-N 2.89Å; L155-F249 HydrophobicContact CD1-CE1 4.29Å; L155-F249 HydrophobicContact CD1-CZ 4.41Å; L155-F249 HydrophobicContact CG-CE1 4.44Å
156V97.6Very high89.8Confident10 Ų1043 Ų436%0.06122%0.222CC..EExtended strand (participates in β ladder)trans-125118.2172.8-175.10000108.4F213 L214 E215 P244 I245 T246V156-F213 CarbonylContact O-C 3.51Å; V156-F213 WeakPolarHBondContact O-CB 3.46Å; V156-L214 HydrophobicContact CB-CB 4.28Å; V156-L214 HydrophobicContact CG1-CB 4.11Å; V156-L214 HydrophobicContact CG1-CD1 4.15Å; V156-L214 PolarHBondContact O-N 2.92Å; V156-E215 HydrophobicContact CB-CB 3.88Å; V156-E215 HydrophobicContact CB-CG 4.23Å; V156-E215 HydrophobicContact CG2-CB 3.85Å; V156-E215 HydrophobicContact CG2-CG 4.17Å; V156-E215 PolarHBondContact N-O 3.01Å; V156-E215 PolarHBondContact O-N 2.98Å; V156-P244 HydrophobicContact CG1-CB 4.09Å; V156-I245 WeakPolarHBondContact CA-O 3.25Å; V156-T246 HydrophobicContact CG2-CG2 4.14Å
157S97.1Very high90.5Very high0 Ų046.2 Ų46.20%024%0.236CC..EExtended strand (participates in β ladder)trans-119.6141.3-177.4-168.20000111.6C159 I162 P244 I245S157-C159 PolarHBondContact O-N 2.94Å; S157-I162 WeakPolarHBondContact OG-CD1 3.24Å; S157-I162 WeakPolarHBondContact OG-CG1 3.36Å; S157-P244 CarbonylContact O-C 3.58Å; S157-P244 WeakPolarHBondContact O-CA 3.45Å; S157-I245 PolarHBondContact N-O 2.8Å; S157-I245 PolarHBondContact O-N 2.91Å
158P96.8Very high91.3Very high43 Ų4350.6 Ų50.628%0.27925%0.246SC..  trans-57.9128.3166-1831.4000109.7K160 V161 L214P158-K160 PolarHBondContact O-N 2.77Å; P158-V161 HydrophobicContact CB-CG2 4.2Å; P158-V161 HydrophobicContact CG-CG2 4.27Å; P158-V161 WeakPolarHBondContact O-CB 3.39Å; P158-V161 PolarHBondContact O-N 2.9Å; P158-L214 HydrophobicContact CG-CD1 4.41Å; P158-L214 HydrophobicContact CG-CD2 4.1Å; P158-L214 HydrophobicContact CG-CG 3.99Å
159C95.6Very high91.6Very high7 Ų747.1 Ų47.15%0.04724%0.235CC..Hα-helixtrans-55.2-33.2-173.6600000113.8S157 V161 I162 L163 V238 P242 V243 I245S157-C159 PolarHBondContact O-N 2.94Å; C159-V161 VanDerWaalsContact C-N 3.3Å; C159-V161 PolarHBondContact O-N 2.85Å; C159-I162 PolarHBondContact O-N 3.37Å; C159-L163 HydrophobicContact CB-CD1 4.3Å; C159-L163 VanDerWaalsContact O-CB 3.27Å; C159-L163 WeakPolarHBondContact O-CB 3.38Å; C159-L163 VanDerWaalsContact O-CG 3.23Å; C159-L163 WeakPolarHBondContact O-CG 3.49Å; C159-L163 PolarHBondContact O-N 3.24Å; C159-V238 HydrophobicContact CB-CB 3.96Å; C159-V238 HydrophobicContact CB-CG1 4.46Å; C159-V238 HydrophobicContact CB-CG2 4.09Å; C159-P242 VanDerWaalsContact SG-CA 3.6Å; C159-V243 VanDerWaalsContact CB-O 3.24Å; C159-V243 WeakPolarHBondContact CB-O 3.19Å; C159-I245 HydrophobicContact CB-CD1 4.19Å; C159-I245 HydrophobicContact CB-CG1 4.06Å
160K95.1Very high92.1Very high148 Ų14843.9 Ų43.964%0.64321%0.21SC*.Hα-helixtrans-61.1-37.7179.5-68.7-175.6179.8177.90112.4P158 D164P158-K160 PolarHBondContact O-N 2.77Å; K160-D164 WeakPolarHBondContact O-CB 3.26Å; K160-D164 PolarHBondContact O-N 3.1Å
161V95.1Very high92.6Very high40 Ų4044.5 Ų44.524%0.24222%0.217CC..Hα-helixtrans-61.3-52.5178.4175.80000109P158 C159 A165 L208P158-V161 HydrophobicContact CB-CG2 4.2Å; P158-V161 HydrophobicContact CG-CG2 4.27Å; P158-V161 WeakPolarHBondContact O-CB 3.39Å; P158-V161 PolarHBondContact O-N 2.9Å; C159-V161 VanDerWaalsContact C-N 3.3Å; C159-V161 PolarHBondContact O-N 2.85Å; V161-A165 WeakPolarHBondContact O-CB 3.18Å; V161-A165 PolarHBondContact O-N 2.96Å; V161-L208 HydrophobicContact CG1-CD1 4.14Å; V161-L208 HydrophobicContact CG1-CD2 3.97Å
162I95.1Very high92.8Very high0 Ų050.4 Ų50.40%025%0.252CS..Hα-helixtrans-66.8-40.8-179.8-55.4-58.5000112.6S157 C159 A165 V166 F188 L208 F231 L235 I245 F247S157-I162 WeakPolarHBondContact OG-CD1 3.24Å; S157-I162 WeakPolarHBondContact OG-CG1 3.36Å; C159-I162 PolarHBondContact O-N 3.37Å; I162-A165 WeakPolarHBondContact O-CB 3.29Å; I162-V166 HydrophobicContact CG2-CG2 4.28Å; I162-V166 WeakPolarHBondContact O-CB 3.36Å; I162-V166 WeakPolarHBondContact O-CG2 3.45Å; I162-V166 PolarHBondContact O-N 3.23Å; I162-F188 HydrophobicContact CD1-CE2 4.36Å; I162-L208 HydrophobicContact CD1-CD1 3.91Å; I162-F231 HydrophobicContact CG2-CE1 3.88Å; I162-F231 HydrophobicContact CG2-CZ 3.8Å; I162-L235 HydrophobicContact CG2-CD2 3.91Å; I162-I245 HydrophobicContact CB-CD1 4.13Å; I162-I245 HydrophobicContact CG1-CD1 4.46Å; I162-I245 HydrophobicContact CG2-CD1 4.15Å; I162-F247 HydrophobicContact CD1-CE2 4.22Å; I162-F247 HydrophobicContact CD1-CZ 3.91Å; I162-F247 HydrophobicContact CG1-CE2 4.09Å; I162-F247 HydrophobicContact CG1-CZ 3.89Å; I162-F247 HydrophobicContact CG2-CZ 4.13Å
163L94.2Very high92.7Very high14 Ų1448.8 Ų48.87%0.07325%0.254CS..Hα-helixtrans-59.1-53.6177-82.2167.1000111C159 V166 H167 L235 V238C159-L163 HydrophobicContact CB-CD1 4.3Å; C159-L163 VanDerWaalsContact O-CB 3.27Å; C159-L163 WeakPolarHBondContact O-CB 3.38Å; C159-L163 VanDerWaalsContact O-CG 3.23Å; C159-L163 WeakPolarHBondContact O-CG 3.49Å; C159-L163 PolarHBondContact O-N 3.24Å; L163-V166 PolarHBondContact O-N 3.19Å; L163-H167 WeakPolarHBondContact O-CB 3.35Å; L163-H167 VanDerWaalsContact O-CG 3.26Å; L163-H167 PolarHBondContact O-N 3.37Å; L163-L235 HydrophobicContact CD2-CB 3.75Å; L163-L235 HydrophobicContact CD2-CD2 4.13Å; L163-L235 HydrophobicContact CD2-CG 4.37Å; L163-L235 WeakPolarHBondContact CD2-O 3.29Å; L163-L235 HydrophobicContact CG-CD2 4.4Å; L163-V238 HydrophobicContact CD1-CG2 4Å; L163-V238 HydrophobicContact CD2-CG2 4.13Å; L163-V238 HydrophobicContact CG-CG2 4.12Å
164D91.4Very high92.5Very high72 Ų7250.5 Ų50.539%0.38526%0.262SS..Hα-helixtrans-62-45.7179.8-91.315.9000111.7K160 R168K160-D164 WeakPolarHBondContact O-CB 3.26Å; K160-D164 PolarHBondContact O-N 3.1Å; D164-R168 VanDerWaalsContact CB-NH2 3.3Å; D164-R168 VanDerWaalsContact CG-NH1 3.34Å; D164-R168 VanDerWaalsContact O-CB 3.22Å; D164-R168 WeakPolarHBondContact O-CB 3.35Å; D164-R168 VanDerWaalsContact O-CG 3.28Å; D164-R168 WeakPolarHBondContact O-CG 3.31Å; D164-R168 PolarHBondContact O-N 3.06Å; D164-R168 IonicContact OD1-NH1 2.85Å; D164-R168 IonicContact OD2-CZ 3.12Å; D164-R168 IonicContact OD2-NH1 2.71Å; D164-R168 PolarHBondContact OD2-NH1 3.37Å; D164-R168 IonicContact OD2-NH2 2.68Å; D164-R168 PolarHBondContact OD2-NH2 3.32Å
165A89.7Confident92.2Very high6 Ų652 Ų525%0.0527%0.272CS..Hα-helixtrans-49.6-58.1173.400000111.7V161 I162 S169 L206V161-A165 WeakPolarHBondContact O-CB 3.18Å; V161-A165 PolarHBondContact O-N 2.96Å; I162-A165 WeakPolarHBondContact O-CB 3.29Å; A165-S169 WeakPolarHBondContact O-CB 3.36Å; A165-S169 PolarHBondContact O-N 2.82Å; A165-S169 PolarHBondContact O-OG 2.79Å; A165-L206 HydrophobicContact CB-CD2 3.08Å; A165-L206 HydrophobicContact CB-CG 4.37Å
166V91.9Very high92Very high0 Ų054.7 Ų54.70%029%0.285CS..Hα-helixtrans-74.5-43.5-172.7171.20000111.7I162 L163 R168 S169 F170 L228 F231 L235I162-V166 HydrophobicContact CG2-CG2 4.28Å; I162-V166 WeakPolarHBondContact O-CB 3.36Å; I162-V166 WeakPolarHBondContact O-CG2 3.45Å; I162-V166 PolarHBondContact O-N 3.23Å; L163-V166 PolarHBondContact O-N 3.19Å; V166-R168 PolarHBondContact O-N 2.78Å; V166-S169 PolarHBondContact O-N 2.8Å; V166-F170 HydrophobicContact CB-CD2 4.49Å; V166-F170 HydrophobicContact CG1-CD2 4.24Å; V166-F170 PolarHBondContact O-N 2.8Å; V166-F170 VanDerWaalsContact O-N 3.1Å; V166-L228 HydrophobicContact CG1-CD1 3.86Å; V166-F231 HydrophobicContact CG2-CE1 4.25Å; V166-L235 HydrophobicContact CB-CD1 3.83Å; V166-L235 HydrophobicContact CG1-CD1 3.73Å; V166-L235 HydrophobicContact CG2-CD1 4.13Å
167H88.9Confident91.9Very high93 Ų9354.2 Ų54.243%0.43128%0.282SS..Hα-helixtrans-68-34.1-177.8-71.7177.1000113.1L163L163-H167 WeakPolarHBondContact O-CB 3.35Å; L163-H167 VanDerWaalsContact O-CG 3.26Å; L163-H167 PolarHBondContact O-N 3.37Å
168R87.4Confident91.7Very high187 Ų18754.7 Ų54.771%0.70629%0.285SS*.Hα-helixtrans-80.6-31.6177.8-67.2-166.7-78.1-118.69.4113D164 V166D164-R168 VanDerWaalsContact CB-NH2 3.3Å; D164-R168 VanDerWaalsContact CG-NH1 3.34Å; D164-R168 VanDerWaalsContact O-CB 3.22Å; D164-R168 WeakPolarHBondContact O-CB 3.35Å; D164-R168 VanDerWaalsContact O-CG 3.28Å; D164-R168 WeakPolarHBondContact O-CG 3.31Å; D164-R168 PolarHBondContact O-N 3.06Å; D164-R168 IonicContact OD1-NH1 2.85Å; D164-R168 IonicContact OD2-CZ 3.12Å; D164-R168 IonicContact OD2-NH1 2.71Å; D164-R168 PolarHBondContact OD2-NH1 3.37Å; D164-R168 IonicContact OD2-NH2 2.68Å; D164-R168 PolarHBondContact OD2-NH2 3.32Å; V166-R168 PolarHBondContact O-N 2.78Å
169S87Confident91.7Very high29 Ų2952.6 Ų52.620%0.20327%0.272CS..Hα-helixtrans-89.5-39.3-170.7-53.10000113.2A165 V166 T204A165-S169 WeakPolarHBondContact O-CB 3.36Å; A165-S169 PolarHBondContact O-N 2.82Å; A165-S169 PolarHBondContact O-OG 2.79Å; V166-S169 PolarHBondContact O-N 2.8Å; S169-T204 VanDerWaalsContact O-CG2 3.31Å; S169-T204 WeakPolarHBondContact O-CG2 3.37Å; S169-T204 PolarHBondContact O-OG1 2.76Å
170F91.2Very high91.7Very high12 Ų1252.6 Ų52.65%0.05327%0.272CS..SBendtrans-110.4131.3-169.9-58.7-72.3000112.3V166 Q174 V177 F188 T204 L228 R232V166-F170 HydrophobicContact CB-CD2 4.49Å; V166-F170 HydrophobicContact CG1-CD2 4.24Å; V166-F170 PolarHBondContact O-N 2.8Å; V166-F170 VanDerWaalsContact O-N 3.1Å; F170-Q174 HydrophobicContact CB-CB 4.34Å; F170-Q174 HydrophobicContact CD1-CG 4.27Å; F170-V177 HydrophobicContact CE1-CG2 4.15Å; F170-V177 HydrophobicContact CE2-CG2 4.19Å; F170-V177 HydrophobicContact CZ-CG2 3.83Å; F170-F188 HydrophobicContact CE2-CB 3.78Å; F170-F188 HydrophobicContact CZ-CB 3.7Å; F170-T204 HydrophobicContact CE1-CG2 4.48Å; F170-L228 HydrophobicContact CB-CD2 3.76Å; F170-L228 HydrophobicContact CD2-CD2 4.28Å; F170-L228 HydrophobicContact CG-CD2 3.92Å; F170-R232 PolarHBondContact O-NH2 3.37Å
171S89.1Confident91.7Very high64 Ų6445.6 Ų45.645%0.44824%0.242SC..  trans-60.1153.7173.2730000111.2S173 Q174 R232S171-S173 PolarHBondContact O-N 3.39Å; S171-S173 VanDerWaalsContact O-N 3.15Å; S171-S173 PolarHBondContact OG-OG 2.88Å; S171-Q174 WeakPolarHBondContact O-CB 3.43Å; S171-Q174 PolarHBondContact O-N 3.49Å; S171-Q174 VanDerWaalsContact O-N 3.09Å; S171-Q174 PolarHBondContact OG-N 3.38Å; S171-R232 PolarHBondContact O-NH2 3.32Å
172T87.5Confident91.6Very high136 Ų13647.5 Ų47.583%0.83425%0.253SS*.THydrogen-bonded Turntrans-62-20.517650.90000113.4
173S88.7Confident91.4Very high82 Ų8253.5 Ų53.557%0.57329%0.285SS*.THydrogen-bonded Turntrans-82.8-14.917763.80000114S171 Q175S171-S173 PolarHBondContact O-N 3.39Å; S171-S173 VanDerWaalsContact O-N 3.15Å; S171-S173 PolarHBondContact OG-OG 2.88Å; S173-Q175 PolarHBondContact O-N 3.36Å; S173-Q175 PolarHBondContact O-NE2 3.28Å
174Q89.9Confident91.3Very high36 Ų3659.7 Ų59.717%0.16831%0.308CS..  trans-63.5118.5-178.9-173.665.810.700110.5F170 S171 E176 Y191 L228 R232F170-Q174 HydrophobicContact CB-CB 4.34Å; F170-Q174 HydrophobicContact CD1-CG 4.27Å; S171-Q174 WeakPolarHBondContact O-CB 3.43Å; S171-Q174 PolarHBondContact O-N 3.49Å; S171-Q174 VanDerWaalsContact O-N 3.09Å; S171-Q174 PolarHBondContact OG-N 3.38Å; Q174-E176 WeakPolarHBondContact CG-O 3.5Å; Q174-E176 PolarHBondContact NE2-O 3.46Å; Q174-Y191 PolarHBondContact NE2-O 2.67Å; Q174-L228 HydrophobicContact CB-CD2 4.02Å; Q174-L228 HydrophobicContact CG-CD2 3.79Å; Q174-R232 PolarHBondContact O-NH1 3.23Å
175Q90.7Very high91.5Very high112 Ų11260.7 Ų60.752%0.52331%0.31SS..  trans-85.8-43.8-175.5-63.2-55.8-52.100112.6S173 A227 L228S173-Q175 PolarHBondContact O-N 3.36Å; S173-Q175 PolarHBondContact O-NE2 3.28Å; Q175-A227 CarbonylContact O-C 3.52Å; Q175-A227 WeakPolarHBondContact O-CA 3.45Å; Q175-L228 WeakPolarHBondContact O-CB 3.16Å; Q175-L228 PolarHBondContact O-N 3.07Å
176E92.5Very high91.8Very high58 Ų5860.4 Ų60.427%0.27131%0.308SS..EExtended strand (participates in β ladder)trans-126.5152.8-173.5-67.3-179.4150.400111.4Q174 Y191 T225 F226Q174-E176 WeakPolarHBondContact CG-O 3.5Å; Q174-E176 PolarHBondContact NE2-O 3.46Å; E176-Y191 HydrophobicContact CB-CD1 4.04Å; E176-Y191 HydrophobicContact CB-CG 4.27Å; E176-Y191 PolarHBondContact O-N 2.87Å; E176-Y191 WeakPolarHBondContact OE2-CD1 3.36Å; E176-Y191 VanDerWaalsContact OE2-CE1 3.23Å; E176-Y191 WeakPolarHBondContact OE2-CE1 3.19Å; E176-T225 HydrophobicContact CB-CG2 4.26Å; E176-F226 WeakPolarHBondContact CA-O 3.16Å
177V94.4Very high91.9Very high0 Ų061.5 Ų61.50%031%0.314CS..EExtended strand (participates in β ladder)trans-135143.9177.172.50000108.8F170 F188 S189 T225 F226 L228F170-V177 HydrophobicContact CE1-CG2 4.15Å; F170-V177 HydrophobicContact CE2-CG2 4.19Å; F170-V177 HydrophobicContact CZ-CG2 3.83Å; V177-F188 HydrophobicContact CG1-CD1 4.19Å; V177-F188 HydrophobicContact CG1-CE1 4.43Å; V177-F188 HydrophobicContact CG2-CB 4.06Å; V177-F188 HydrophobicContact CG2-CD1 3.75Å; V177-F188 HydrophobicContact CG2-CG 4.39Å; V177-S189 WeakPolarHBondContact CA-O 3.3Å; V177-S189 WeakPolarHBondContact CG2-O 3.47Å; V177-T225 WeakPolarHBondContact O-CA 3.33Å; V177-F226 HydrophobicContact CG1-CD2 4.14Å; V177-F226 HydrophobicContact CG1-CE1 4.08Å; V177-F226 HydrophobicContact CG1-CE2 3.59Å; V177-F226 HydrophobicContact CG1-CZ 3.58Å; V177-F226 PolarHBondContact N-O 3.23Å; V177-F226 PolarHBondContact O-N 3.44Å; V177-F226 VanDerWaalsContact O-N 3.07Å; V177-L228 HydrophobicContact CB-CB 4.2Å; V177-L228 HydrophobicContact CB-CD1 4.36Å; V177-L228 HydrophobicContact CB-CD2 4.38Å; V177-L228 HydrophobicContact CG1-CB 4.23Å; V177-L228 HydrophobicContact CG1-CD1 4.09Å
178V94.8Very high92.2Very high9 Ų957 Ų576%0.05529%0.294CS..EExtended strand (participates in β ladder)trans-93.3122.8169-175.30000107.5F188 S189 Y191 E223 I224 T225V178-F188 CarbonylContact O-C 3.51Å; V178-F188 VanDerWaalsContact O-CA 3.31Å; V178-F188 WeakPolarHBondContact O-CA 3.46Å; V178-S189 PolarHBondContact N-O 2.95Å; V178-S189 PolarHBondContact O-N 2.84Å; V178-Y191 HydrophobicContact CG2-CD2 3.78Å; V178-Y191 HydrophobicContact CG2-CG 4.38Å; V178-E223 HydrophobicContact CG1-CG 3.28Å; V178-I224 CarbonylContact C-O 3.53Å; V178-I224 WeakPolarHBondContact CA-O 3.11Å; V178-T225 HydrophobicContact CG2-CG2 4.35Å
179L95.8Very high92.4Very high0 Ų048.3 Ų48.30%026%0.261CS..EExtended strand (participates in β ladder)trans-101.7115.4168.1171.273.6000107.9M186 T187 F188 E223 I224 F226 F249L179-M186 HydrophobicContact CD1-CE 3.08Å; L179-M186 HydrophobicContact CD1-CG 3.6Å; L179-M186 HydrophobicContact CD1-SD 3.94Å; L179-M186 HydrophobicContact CD2-CE 4.41Å; L179-M186 HydrophobicContact CG-CE 4.36Å; L179-T187 WeakPolarHBondContact CA-O 3.47Å; L179-F188 HydrophobicContact CB-CD1 4.35Å; L179-F188 HydrophobicContact CB-CE1 4.2Å; L179-F188 HydrophobicContact CD1-CD1 4.04Å; L179-F188 HydrophobicContact CD1-CE1 3.68Å; L179-F188 HydrophobicContact CD1-CE2 4.31Å; L179-F188 HydrophobicContact CD1-CZ 3.84Å; L179-F188 HydrophobicContact CG-CE1 4.48Å; L179-E223 CarbonylContact O-C 3.55Å; L179-E223 WeakPolarHBondContact O-CA 3Å; L179-I224 HydrophobicContact CB-CG1 4.01Å; L179-I224 HydrophobicContact CD2-CD1 4.05Å; L179-I224 HydrophobicContact CD2-CG1 4.15Å; L179-I224 HydrophobicContact CG-CG1 4.41Å; L179-I224 PolarHBondContact N-O 3.32Å; L179-I224 PolarHBondContact O-N 3.43Å; L179-F226 HydrophobicContact CB-CE1 3.68Å; L179-F226 HydrophobicContact CB-CZ 4.5Å; L179-F226 HydrophobicContact CD2-CE1 4.26Å; L179-F249 HydrophobicContact CD2-CD1 4.18Å; L179-F249 HydrophobicContact CD2-CE1 3.88Å; L179-F249 HydrophobicContact CD2-CE2 4.38Å; L179-F249 HydrophobicContact CD2-CZ 4Å
180A95.4Very high92.6Very high7 Ų747.3 Ų47.36%0.05825%0.254CS..EExtended strand (participates in β ladder)trans-118.1137.8173.400000110.9M186 T187 T222 E223A180-M186 CarbonylContact O-C 3.57Å; A180-M186 WeakPolarHBondContact O-CA 3.39Å; A180-T187 WeakPolarHBondContact CB-OG1 3.3Å; A180-T187 PolarHBondContact N-O 3.21Å; A180-T187 PolarHBondContact O-N 3.09Å; A180-T187 PolarHBondContact O-OG1 3.37Å; A180-T222 CarbonylContact C-O 3.57Å; A180-T222 VanDerWaalsContact CA-O 3.27Å; A180-T222 WeakPolarHBondContact CA-O 3.34Å; A180-E223 HydrophobicContact CB-CB 4.01Å; A180-E223 HydrophobicContact CB-CG 3.97Å
181V96Very high92.2Very high0 Ų048.4 Ų48.40%026%0.258CS..EExtended strand (participates in β ladder)trans-123.1120173.5-1760000107.9L155 E185 M186 F216 V218 D221 T222 F249L155-V181 HydrophobicContact CD1-CG2 4.03Å; V181-E185 WeakPolarHBondContact CA-O 2.81Å; V181-M186 HydrophobicContact CG2-CB 4.15Å; V181-M186 HydrophobicContact CG2-CG 4.04Å; V181-F216 HydrophobicContact CG1-CE1 4.18Å; V181-F216 HydrophobicContact CG1-CZ 3.7Å; V181-V218 HydrophobicContact CG1-CB 4.2Å; V181-V218 HydrophobicContact CG1-CG1 3.73Å; V181-V218 HydrophobicContact CG1-CG2 3.42Å; V181-V218 VanDerWaalsContact CG1-CG2 3.42Å; V181-D221 CarbonylContact O-C 3.5Å; V181-D221 VanDerWaalsContact O-CA 3.27Å; V181-D221 WeakPolarHBondContact O-CA 3.44Å; V181-T222 PolarHBondContact N-O 2.98Å; V181-T222 PolarHBondContact O-N 3.24Å; V181-F249 HydrophobicContact CB-CZ 4.47Å; V181-F249 HydrophobicContact CG2-CE2 4.27Å; V181-F249 HydrophobicContact CG2-CZ 3.68Å
182V93.3Very high91.6Very high81 Ų8147.8 Ų47.849%0.49125%0.252SS..EExtended strand (participates in β ladder)trans-137124.4-176.6179.50000107.7R184 E185 D221V182-R184 PolarHBondContact O-N 3.33Å; V182-E185 PolarHBondContact N-O 3.28Å; V182-E185 PolarHBondContact O-N 3.21Å; V182-D221 WeakPolarHBondContact CA-OD1 3.44Å
183D89.2Confident90.8Very high125 Ų12547.4 Ų47.467%0.66824%0.24SC*.THydrogen-bonded Turntrans53-107.9-177-177.438.6000112.4D221D183-D221 PolarHBondContact N-OD1 3.1Å
184R93.7Very high89.4Confident145 Ų14549.2 Ų49.255%0.54724%0.244SC..THydrogen-bonded Turntrans-116.127-179.2-59.4-164.872.5-152.8-2.8112.9V182 A210V182-R184 PolarHBondContact O-N 3.33Å; R184-A210 HydrophobicContact CB-CB 3.96Å; R184-A210 VanDerWaalsContact O-CB 3.29Å; R184-A210 WeakPolarHBondContact O-CB 3.42Å; R184-A210 PolarHBondContact O-N 3.27Å
185E95Very high87.9Confident92 Ų9252.8 Ų52.843%0.4326%0.261SS..EExtended strand (participates in β ladder)trans-131.4138.3179.2-61.5-169.7146.700111.3V181 V182V181-E185 WeakPolarHBondContact CA-O 2.81Å; V182-E185 PolarHBondContact N-O 3.28Å; V182-E185 PolarHBondContact O-N 3.21Å
186M95.7Very high86.3Confident0 Ų053.8 Ų53.80%028%0.276CS..EExtended strand (participates in β ladder)trans-109.5132.9168.7175179.3167.400108.6L155 L179 A180 V181 F188 L208 F213 F216 F247L155-M186 HydrophobicContact CD1-CB 4.43Å; L155-M186 HydrophobicContact CD1-CG 4.26Å; L155-M186 HydrophobicContact CD1-SD 3.38Å; L155-M186 WeakPolarHBondContact CD1-SD 3.34Å; L179-M186 HydrophobicContact CD1-CE 3.08Å; L179-M186 HydrophobicContact CD1-CG 3.6Å; L179-M186 HydrophobicContact CD1-SD 3.94Å; L179-M186 HydrophobicContact CD2-CE 4.41Å; L179-M186 HydrophobicContact CG-CE 4.36Å; A180-M186 CarbonylContact O-C 3.57Å; A180-M186 WeakPolarHBondContact O-CA 3.39Å; V181-M186 HydrophobicContact CG2-CB 4.15Å; V181-M186 HydrophobicContact CG2-CG 4.04Å; M186-F188 HydrophobicContact CE-CD2 4.18Å; M186-F188 HydrophobicContact CE-CE1 4.21Å; M186-F188 HydrophobicContact CE-CE2 3.26Å; M186-F188 HydrophobicContact CE-CZ 3.28Å; M186-L208 PolarHBondContact N-O 2.98Å; M186-L208 PolarHBondContact O-N 2.93Å; M186-F213 HydrophobicContact CB-CE2 4.18Å; M186-F213 HydrophobicContact CB-CZ 3.84Å; M186-F213 HydrophobicContact CG-CZ 4.15Å; M186-F213 HydrophobicContact SD-CE1 3.46Å; M186-F213 WeakPolarHBondContact SD-CE1 3.48Å; M186-F213 HydrophobicContact SD-CE2 4.42Å; M186-F213 HydrophobicContact SD-CZ 3.28Å; M186-F213 WeakPolarHBondContact SD-CZ 3.39Å; M186-F216 HydrophobicContact CB-CE2 4.1Å; M186-F247 HydrophobicContact CE-CD1 4.06Å; M186-F247 HydrophobicContact CE-CE1 3.8Å; M186-F247 HydrophobicContact CE-CZ 4.19Å
187T94.2Very high84.9Confident23 Ų2353.4 Ų53.414%0.14128%0.277CS..EExtended strand (participates in β ladder)trans-124.5139.4-179.6710000111.1L179 A180 L206 R207L179-T187 WeakPolarHBondContact CA-O 3.47Å; A180-T187 WeakPolarHBondContact CB-OG1 3.3Å; A180-T187 PolarHBondContact N-O 3.21Å; A180-T187 PolarHBondContact O-N 3.09Å; A180-T187 PolarHBondContact O-OG1 3.37Å; T187-L206 CarbonylContact C-O 3.52Å; T187-L206 WeakPolarHBondContact CA-O 3.49Å; T187-R207 HydrophobicContact CG2-CB 4.3Å; T187-R207 HydrophobicContact CG2-CG 3.82Å
188F94.3Very high83.4Confident0 Ų058 Ų580%031%0.306CS..EExtended strand (participates in β ladder)trans-109.3121.7165-76-74.9000108.5I162 F170 V177 V178 L179 M186 E205 L206 F226 F231 F247I162-F188 HydrophobicContact CD1-CE2 4.36Å; F170-F188 HydrophobicContact CE2-CB 3.78Å; F170-F188 HydrophobicContact CZ-CB 3.7Å; V177-F188 HydrophobicContact CG1-CD1 4.19Å; V177-F188 HydrophobicContact CG1-CE1 4.43Å; V177-F188 HydrophobicContact CG2-CB 4.06Å; V177-F188 HydrophobicContact CG2-CD1 3.75Å; V177-F188 HydrophobicContact CG2-CG 4.39Å; V178-F188 CarbonylContact O-C 3.51Å; V178-F188 VanDerWaalsContact O-CA 3.31Å; V178-F188 WeakPolarHBondContact O-CA 3.46Å; L179-F188 HydrophobicContact CB-CD1 4.35Å; L179-F188 HydrophobicContact CB-CE1 4.2Å; L179-F188 HydrophobicContact CD1-CD1 4.04Å; L179-F188 HydrophobicContact CD1-CE1 3.68Å; L179-F188 HydrophobicContact CD1-CE2 4.31Å; L179-F188 HydrophobicContact CD1-CZ 3.84Å; L179-F188 HydrophobicContact CG-CE1 4.48Å; M186-F188 HydrophobicContact CE-CD2 4.18Å; M186-F188 HydrophobicContact CE-CE1 4.21Å; M186-F188 HydrophobicContact CE-CE2 3.26Å; M186-F188 HydrophobicContact CE-CZ 3.28Å; F188-E205 CarbonylContact O-C 3.55Å; F188-E205 WeakPolarHBondContact O-CA 3.39Å; F188-L206 HydrophobicContact CB-CB 4.38Å; F188-L206 HydrophobicContact CD2-CD2 4.17Å; F188-L206 PolarHBondContact N-O 3.39Å; F188-L206 PolarHBondContact O-N 3.47Å; F188-F226 HydrophobicContact CE1-CZ 4.08Å; F188-F231 HydrophobicContact CZ-CE1 4.49Å; F188-F247 HydrophobicContact CZ-CE1 4.18Å
189S92.1Very high81.9Confident3 Ų366.8 Ų66.82%0.02134%0.344CS..EExtended strand (participates in β ladder)trans-116.9144.1174-69.40000111.1V177 V178 Y191 R203 T204V177-S189 WeakPolarHBondContact CA-O 3.3Å; V177-S189 WeakPolarHBondContact CG2-O 3.47Å; V178-S189 PolarHBondContact N-O 2.95Å; V178-S189 PolarHBondContact O-N 2.84Å; S189-Y191 PolarHBondContact O-N 2.83Å; S189-R203 PolarHBondContact OG-NH2 2.89Å; S189-R203 VanDerWaalsContact OG-NH2 3.1Å; S189-T204 CarbonylContact C-O 3.59Å; S189-T204 WeakPolarHBondContact CA-O 3.33Å
190S90.5Very high80.5Confident8 Ų874.6 Ų74.66%0.05638%0.378CS..EExtended strand (participates in β ladder)trans-64.8126169.955.70000109.6R203 T204S190-R203 WeakPolarHBondContact OG-CA 3.36Å; S190-T204 PolarHBondContact N-O 3.13Å; S190-T204 PolarHBondContact OG-N 2.64Å; S190-T204 VanDerWaalsContact OG-N 3.07Å
191Y83.5Confident79.2Confident35 Ų3576.5 Ų76.514%0.13739%0.389CS..  trans-76.7136.2168.9-173.2-104.8000110Q174 E176 V178 S189 E193 T225 M275 L280Q174-Y191 PolarHBondContact NE2-O 2.67Å; E176-Y191 HydrophobicContact CB-CD1 4.04Å; E176-Y191 HydrophobicContact CB-CG 4.27Å; E176-Y191 PolarHBondContact O-N 2.87Å; E176-Y191 WeakPolarHBondContact OE2-CD1 3.36Å; E176-Y191 VanDerWaalsContact OE2-CE1 3.23Å; E176-Y191 WeakPolarHBondContact OE2-CE1 3.19Å; V178-Y191 HydrophobicContact CG2-CD2 3.78Å; V178-Y191 HydrophobicContact CG2-CG 4.38Å; S189-Y191 PolarHBondContact O-N 2.83Å; Y191-E193 HydrophobicContact CE1-CB 4.1Å; Y191-T225 HydrophobicContact CD1-CG2 4.31Å; Y191-T225 HydrophobicContact CD2-CG2 3.7Å; Y191-T225 HydrophobicContact CE2-CG2 4.17Å; Y191-T225 HydrophobicContact CG-CG2 3.77Å; Y191-M275 HydrophobicContact CE1-SD 4.17Å; Y191-M275 HydrophobicContact CE2-SD 4.36Å; Y191-L280 HydrophobicContact CE2-CD2 4.49Å
192V75.8Confident78Confident52 Ų5281.9 Ų81.932%0.31542%0.423SS..  trans-129.9108.8178.1-178.90000107.4Q195 V201V192-Q195 HydrophobicContact CG1-CB 4.28Å; V192-Q195 HydrophobicContact CG1-CG 3.98Å; V192-V201 HydrophobicContact CG1-CB 4.02Å; V192-V201 HydrophobicContact CG1-CG1 3.92Å; V192-V201 HydrophobicContact CG1-CG2 3.98Å; V192-V201 HydrophobicContact CG2-CB 4.36Å; V192-V201 HydrophobicContact CG2-CG1 3.82Å
193E71Confident77.3Confident127 Ų12785.3 Ų85.359%0.59343%0.428SS*.  trans-72.4128.8179.4-166.5175.2-159.400110.9Y191 Q195Y191-E193 HydrophobicContact CE1-CB 4.1Å; E193-Q195 VanDerWaalsContact C-N 3.28Å; E193-Q195 PolarHBondContact O-N 2.98Å
194D59.5Low77.1Confident120 Ų12081.9 Ų81.964%0.64241%0.411SS*.SBendtrans1855.9167.9-66.5-25.6000117.7
195Q58.8Low76.8Confident112 Ų11278.7 Ų78.752%0.52340%0.402SS..  trans-84.6136.4168.1-75.1-83-18.200109V192 E193 D197 V201V192-Q195 HydrophobicContact CG1-CB 4.28Å; V192-Q195 HydrophobicContact CG1-CG 3.98Å; E193-Q195 VanDerWaalsContact C-N 3.28Å; E193-Q195 PolarHBondContact O-N 2.98Å; Q195-D197 PolarHBondContact O-N 2.99Å; Q195-V201 HydrophobicContact CB-CG2 4.16Å; Q195-V201 HydrophobicContact CG-CG2 4.04Å
196P57.4Low76.6Confident132 Ų13275.8 Ų75.886%0.85739%0.389SS*.SBendtrans-62.8-10.6-174.524.1-34000114
197D63.4Low76.5Confident51 Ų5183 Ų8327%0.27342%0.417SS..  trans-14390.6171.3-165.5-13.9000110.2Q195 K199 K200Q195-D197 PolarHBondContact O-N 2.99Å; D197-K199 PolarHBondContact O-N 3.13Å; D197-K199 WeakPolarHBondContact OD1-CB 3.16Å; D197-K199 PolarHBondContact OD1-N 3.33Å; D197-K200 HydrophobicContact CB-CB 4.27Å; D197-K200 HydrophobicContact CB-CD 3.96Å; D197-K200 HydrophobicContact CB-CG 4.02Å; D197-K200 PolarHBondContact O-N 3.21Å; D197-K200 WeakPolarHBondContact OD2-CD 3.41Å; D197-K200 WeakPolarHBondContact OD2-CE 3.34Å; D197-K200 WeakPolarHBondContact OD2-CG 3.23Å; D197-K200 IonicContact OD2-NZ 2.71Å; D197-K200 PolarHBondContact OD2-NZ 3.34Å
198P61.4Low76.6Confident96 Ų9682.2 Ų82.262%0.62341%0.412SS*.THydrogen-bonded Turntrans-61.2-15-179.424.2-33.9000112.8K200P198-K200 VanDerWaalsContact C-N 3.34Å
199K65Low76.6Confident193 Ų19384.1 Ų84.184%0.83943%0.425SS*.THydrogen-bonded Turntrans-80.4-14.3176.3-59-179.7178.8177.40113.4D197D197-K199 PolarHBondContact O-N 3.13Å; D197-K199 WeakPolarHBondContact OD1-CB 3.16Å; D197-K199 PolarHBondContact OD1-N 3.33Å
200K66.1Low76.8Confident165 Ų16584.4 Ų84.472%0.71743%0.428SS*.SBendtrans-89.7-14.8179.1-75.2-175.5-179.7118.20113.5D197 P198D197-K200 HydrophobicContact CB-CB 4.27Å; D197-K200 HydrophobicContact CB-CD 3.96Å; D197-K200 HydrophobicContact CB-CG 4.02Å; D197-K200 PolarHBondContact O-N 3.21Å; D197-K200 WeakPolarHBondContact OD2-CD 3.41Å; D197-K200 WeakPolarHBondContact OD2-CE 3.34Å; D197-K200 WeakPolarHBondContact OD2-CG 3.23Å; D197-K200 IonicContact OD2-NZ 2.71Å; D197-K200 PolarHBondContact OD2-NZ 3.34Å; P198-K200 VanDerWaalsContact C-N 3.34Å
201V68.1Low77Confident47 Ų4791.7 Ų91.729%0.28546%0.461SS..SBendtrans-94.1129178.1-173.40000108.4V192 Q195 R203V192-V201 HydrophobicContact CG1-CB 4.02Å; V192-V201 HydrophobicContact CG1-CG1 3.92Å; V192-V201 HydrophobicContact CG1-CG2 3.98Å; V192-V201 HydrophobicContact CG2-CB 4.36Å; V192-V201 HydrophobicContact CG2-CG1 3.82Å; Q195-V201 HydrophobicContact CB-CG2 4.16Å; Q195-V201 HydrophobicContact CG-CG2 4.04Å; V201-R203 PolarHBondContact O-N 2.79Å; V201-R203 VanDerWaalsContact O-N 3.07Å
202P71.1Confident77.5Confident112 Ų11293.9 Ų93.973%0.72747%0.472SS*.PPolyproline II helixtrans-60.2116.9175.525.3-33.2000109.3
203R77.6Confident78.5Confident154 Ų15492.2 Ų92.258%0.58146%0.461SS*.PPolyproline II helixtrans-93.8118171.2-174.9178.7172.4162.80.3108.2S189 S190 V201S189-R203 PolarHBondContact OG-NH2 2.89Å; S189-R203 VanDerWaalsContact OG-NH2 3.1Å; S190-R203 WeakPolarHBondContact OG-CA 3.36Å; V201-R203 PolarHBondContact O-N 2.79Å; V201-R203 VanDerWaalsContact O-N 3.07Å
204T84.5Confident79.7Confident53 Ų5391.2 Ų91.233%0.32546%0.459SS..PPolyproline II helixtrans-91130.2168.9-53.40000108.7S169 F170 S189 S190S169-T204 VanDerWaalsContact O-CG2 3.31Å; S169-T204 WeakPolarHBondContact O-CG2 3.37Å; S169-T204 PolarHBondContact O-OG1 2.76Å; F170-T204 HydrophobicContact CE1-CG2 4.48Å; S189-T204 CarbonylContact C-O 3.59Å; S189-T204 WeakPolarHBondContact CA-O 3.33Å; S190-T204 PolarHBondContact N-O 3.13Å; S190-T204 PolarHBondContact OG-N 2.64Å; S190-T204 VanDerWaalsContact OG-N 3.07Å
205E88.9Confident81.5Confident77 Ų7790.1 Ų90.136%0.3645%0.45SS..EExtended strand (participates in β ladder)trans-127.5128.7173.4-172.9176.2129.700108.7F188 R207F188-E205 CarbonylContact O-C 3.55Å; F188-E205 WeakPolarHBondContact O-CA 3.39Å; E205-R207 HydrophobicContact CG-CG 4.44Å; E205-R207 IonicContact OE1-CZ 3.66Å; E205-R207 IonicContact OE1-NE 3.99Å; E205-R207 PolarHBondContact OE1-NE 2.95Å; E205-R207 IonicContact OE1-NH2 3.74Å; E205-R207 PolarHBondContact OE1-NH2 3.21Å
206L91Very high83.3Confident31 Ų3187.1 Ų87.116%0.16244%0.435CS..EExtended strand (participates in β ladder)trans-112134.9171.8170.777.5000107.6A165 T187 F188 L208A165-L206 HydrophobicContact CB-CD2 3.08Å; A165-L206 HydrophobicContact CB-CG 4.37Å; T187-L206 CarbonylContact C-O 3.52Å; T187-L206 WeakPolarHBondContact CA-O 3.49Å; F188-L206 HydrophobicContact CB-CB 4.38Å; F188-L206 HydrophobicContact CD2-CD2 4.17Å; F188-L206 PolarHBondContact N-O 3.39Å; F188-L206 PolarHBondContact O-N 3.47Å; L206-L208 HydrophobicContact CD1-CD2 4.42Å; L206-L208 HydrophobicContact CD2-CD1 4.41Å; L206-L208 HydrophobicContact CD2-CD2 4.41Å; L206-L208 HydrophobicContact CD2-CG 4.29Å; L206-L208 HydrophobicContact CG-CD2 4.46Å; L206-L208 HydrophobicContact CG-CG 4.4Å
207R93.2Very high85.1Confident151 Ų15185.8 Ų85.857%0.5742%0.421SS*.EExtended strand (participates in β ladder)trans-118134.7173.9-54.1-170.2176.9-172.2-6.1109.6T187 E205T187-R207 HydrophobicContact CG2-CB 4.3Å; T187-R207 HydrophobicContact CG2-CG 3.82Å; E205-R207 HydrophobicContact CG-CG 4.44Å; E205-R207 IonicContact OE1-CZ 3.66Å; E205-R207 IonicContact OE1-NE 3.99Å; E205-R207 PolarHBondContact OE1-NE 2.95Å; E205-R207 IonicContact OE1-NH2 3.74Å; E205-R207 PolarHBondContact OE1-NH2 3.21Å
208L94.9Very high86.5Confident7 Ų785 Ų854%0.03742%0.418CS..EExtended strand (participates in β ladder)trans-123.1126.8174.3-59.8173.8000107.5V161 I162 M186 L206 E212 F213V161-L208 HydrophobicContact CG1-CD1 4.14Å; V161-L208 HydrophobicContact CG1-CD2 3.97Å; I162-L208 HydrophobicContact CD1-CD1 3.91Å; M186-L208 PolarHBondContact N-O 2.98Å; M186-L208 PolarHBondContact O-N 2.93Å; L206-L208 HydrophobicContact CD1-CD2 4.42Å; L206-L208 HydrophobicContact CD2-CD1 4.41Å; L206-L208 HydrophobicContact CD2-CD2 4.41Å; L206-L208 HydrophobicContact CD2-CG 4.29Å; L206-L208 HydrophobicContact CG-CD2 4.46Å; L206-L208 HydrophobicContact CG-CG 4.4Å; L208-E212 WeakPolarHBondContact CA-OE1 3.23Å; L208-E212 WeakPolarHBondContact CD2-OE2 3.43Å; L208-F213 HydrophobicContact CB-CE2 3.71Å; L208-F213 HydrophobicContact CB-CZ 3.93Å; L208-F213 HydrophobicContact CD1-CZ 3.96Å
209S95.5Very high87.9Confident41 Ų4183.3 Ų83.329%0.28741%0.412SS..EExtended strand (participates in β ladder)trans-75.1152.9174.963.50000110.7E211 E212 F213S209-E211 PolarHBondContact O-N 2.94Å; S209-E212 PolarHBondContact N-OE1 3.26Å; S209-E212 WeakPolarHBondContact O-CB 3.18Å; S209-E212 PolarHBondContact O-N 2.83Å; S209-E212 PolarHBondContact OG-OE1 3.3Å; S209-F213 VanDerWaalsContact O-CD2 3.26Å; S209-F213 WeakPolarHBondContact O-CD2 3.5Å; S209-F213 WeakPolarHBondContact O-CE2 3.47Å
210A95.5Very high89.2Confident9 Ų976.9 Ų76.97%0.07438%0.384CS..G310 helixtrans-55.7-23.717700000113.6R184 E212 F213 F216R184-A210 HydrophobicContact CB-CB 3.96Å; R184-A210 VanDerWaalsContact O-CB 3.29Å; R184-A210 WeakPolarHBondContact O-CB 3.42Å; R184-A210 PolarHBondContact O-N 3.27Å; A210-E212 PolarHBondContact O-N 2.87Å; A210-F213 PolarHBondContact O-N 2.77Å; A210-F216 HydrophobicContact CB-CB 4.07Å; A210-F216 HydrophobicContact CB-CD1 3.71Å; A210-F216 HydrophobicContact CB-CD2 3.79Å; A210-F216 HydrophobicContact CB-CE1 4.02Å; A210-F216 HydrophobicContact CB-CE2 4.11Å; A210-F216 HydrophobicContact CB-CG 3.58Å; A210-F216 HydrophobicContact CB-CZ 4.21Å
211E95.4Very high90.6Very high161 Ų16174 Ų7475%0.75238%0.376SS*.G310 helixtrans-71.7-16.5178.4-61-178.117900113.4S209 F213S209-E211 PolarHBondContact O-N 2.94Å; E211-F213 VanDerWaalsContact C-N 3.27Å
212E94.4Very high91.8Very high80 Ų8072.2 Ų72.237%0.37437%0.366SS..G310 helixtrans-83.3-5.1176.5-65.7171.6-104.600112.9L208 S209 A210L208-E212 WeakPolarHBondContact CA-OE1 3.23Å; L208-E212 WeakPolarHBondContact CD2-OE2 3.43Å; S209-E212 PolarHBondContact N-OE1 3.26Å; S209-E212 WeakPolarHBondContact O-CB 3.18Å; S209-E212 PolarHBondContact O-N 2.83Å; S209-E212 PolarHBondContact OG-OE1 3.3Å; A210-E212 PolarHBondContact O-N 2.87Å
213F96.4Very high92.9Very high18 Ų1871 Ų718%0.07935%0.35CS..SBendtrans-101.6150-179.4-64.3-98.1000111.1L155 V156 M186 L208 S209 A210 E211 F216L155-F213 HydrophobicContact CB-CD1 4.16Å; L155-F213 HydrophobicContact CB-CE1 4.37Å; L155-F213 HydrophobicContact CD1-CE1 4.32Å; V156-F213 CarbonylContact O-C 3.51Å; V156-F213 WeakPolarHBondContact O-CB 3.46Å; M186-F213 HydrophobicContact CB-CE2 4.18Å; M186-F213 HydrophobicContact CB-CZ 3.84Å; M186-F213 HydrophobicContact CG-CZ 4.15Å; M186-F213 HydrophobicContact SD-CE1 3.46Å; M186-F213 WeakPolarHBondContact SD-CE1 3.48Å; M186-F213 HydrophobicContact SD-CE2 4.42Å; M186-F213 HydrophobicContact SD-CZ 3.28Å; M186-F213 WeakPolarHBondContact SD-CZ 3.39Å; L208-F213 HydrophobicContact CB-CE2 3.71Å; L208-F213 HydrophobicContact CB-CZ 3.93Å; L208-F213 HydrophobicContact CD1-CZ 3.96Å; S209-F213 VanDerWaalsContact O-CD2 3.26Å; S209-F213 WeakPolarHBondContact O-CD2 3.5Å; S209-F213 WeakPolarHBondContact O-CE2 3.47Å; A210-F213 PolarHBondContact O-N 2.77Å; E211-F213 VanDerWaalsContact C-N 3.27Å; F213-F216 HydrophobicContact CB-CB 4.31Å; F213-F216 HydrophobicContact CB-CD2 4.23Å; F213-F216 HydrophobicContact CD1-CD2 4.4Å; F213-F216 AromaticContact CD2-CD2 3.62Å; F213-F216 HydrophobicContact CD2-CD2 3.62Å; F213-F216 HydrophobicContact CD2-CE2 4.05Å; F213-F216 HydrophobicContact CE2-CD2 4.08Å; F213-F216 HydrophobicContact CE2-CE2 4.04Å; F213-F216 AromaticContact CG-CD2 3.82Å; F213-F216 HydrophobicContact CG-CD2 3.82Å
214L96.9Very high93.8Very high106 Ų10663.7 Ų63.756%0.55532%0.323SS*.SBendtrans-72.3-37.4169.7-60.1178.1000110.5V156 P158 P244V156-L214 HydrophobicContact CB-CB 4.28Å; V156-L214 HydrophobicContact CG1-CB 4.11Å; V156-L214 HydrophobicContact CG1-CD1 4.15Å; V156-L214 PolarHBondContact O-N 2.92Å; P158-L214 HydrophobicContact CG-CD1 4.41Å; P158-L214 HydrophobicContact CG-CD2 4.1Å; P158-L214 HydrophobicContact CG-CG 3.99Å; L214-P244 HydrophobicContact CD1-CB 4.02Å; L214-P244 HydrophobicContact CD1-CG 3.94Å
215E96.5Very high94.3Very high96 Ų9661.2 Ų61.245%0.44931%0.308SS..EExtended strand (participates in β ladder)trans-142.4136.7175.4-58.6176.6-147.300108.9R154 L155 V156R154-E215 IonicContact CZ-OE2 3.22Å; R154-E215 IonicContact NH1-OE2 3.89Å; R154-E215 PolarHBondContact NH1-OE2 3.3Å; R154-E215 IonicContact NH2-OE2 3.7Å; L155-E215 CarbonylContact C-O 3.58Å; L155-E215 WeakPolarHBondContact CA-O 3.27Å; V156-E215 HydrophobicContact CB-CB 3.88Å; V156-E215 HydrophobicContact CB-CG 4.23Å; V156-E215 HydrophobicContact CG2-CB 3.85Å; V156-E215 HydrophobicContact CG2-CG 4.17Å; V156-E215 PolarHBondContact N-O 3.01Å; V156-E215 PolarHBondContact O-N 2.98Å
216F96.2Very high94.6Very high49 Ų4957.7 Ų57.722%0.21529%0.291CS..EExtended strand (participates in β ladder)trans-136.982.9-179.4-164.1-83.5000108.8L155 V181 M186 A210 F213 V218L155-F216 HydrophobicContact CD1-CD2 4.49Å; L155-F216 HydrophobicContact CD1-CE2 4.23Å; L155-F216 HydrophobicContact CD2-CB 4.24Å; L155-F216 HydrophobicContact CD2-CD1 4.18Å; L155-F216 HydrophobicContact CD2-CD2 3.48Å; L155-F216 VanDerWaalsContact CD2-CD2 3.48Å; L155-F216 HydrophobicContact CD2-CE1 4.44Å; L155-F216 HydrophobicContact CD2-CE2 3.8Å; L155-F216 HydrophobicContact CD2-CG 3.7Å; L155-F216 HydrophobicContact CD2-CZ 4.27Å; V181-F216 HydrophobicContact CG1-CE1 4.18Å; V181-F216 HydrophobicContact CG1-CZ 3.7Å; M186-F216 HydrophobicContact CB-CE2 4.1Å; A210-F216 HydrophobicContact CB-CB 4.07Å; A210-F216 HydrophobicContact CB-CD1 3.71Å; A210-F216 HydrophobicContact CB-CD2 3.79Å; A210-F216 HydrophobicContact CB-CE1 4.02Å; A210-F216 HydrophobicContact CB-CE2 4.11Å; A210-F216 HydrophobicContact CB-CG 3.58Å; A210-F216 HydrophobicContact CB-CZ 4.21Å; F213-F216 HydrophobicContact CB-CB 4.31Å; F213-F216 HydrophobicContact CB-CD2 4.23Å; F213-F216 HydrophobicContact CD1-CD2 4.4Å; F213-F216 AromaticContact CD2-CD2 3.62Å; F213-F216 HydrophobicContact CD2-CD2 3.62Å; F213-F216 HydrophobicContact CD2-CE2 4.05Å; F213-F216 HydrophobicContact CE2-CD2 4.08Å; F213-F216 HydrophobicContact CE2-CE2 4.04Å; F213-F216 AromaticContact CG-CD2 3.82Å; F213-F216 HydrophobicContact CG-CD2 3.82Å; F216-V218 HydrophobicContact CD1-CG2 3.69Å; F216-V218 HydrophobicContact CE1-CB 4.35Å; F216-V218 HydrophobicContact CE1-CG2 3.37Å; F216-V218 HydrophobicContact CG-CG2 4.48Å; F216-V218 HydrophobicContact CZ-CG2 3.93Å
217D94.7Very high94.7Very high104 Ų10457.1 Ų57.156%0.55629%0.291SS*.EExtended strand (participates in β ladder)trans-110.198.8-177.9-170.514.7000109.4R154R154-D217 CarbonylContact C-O 3.52Å; R154-D217 PolarHBondContact N-O 3Å; R154-D217 CarbonylContact O-C 3.57Å; R154-D217 WeakPolarHBondContact O-CA 3.23Å; R154-D217 WeakPolarHBondContact O-CB 3.48Å; R154-D217 PolarHBondContact O-N 2.81Å
218V93.5Very high94.8Very high35 Ų3550 Ų5021%0.21226%0.264CS..  trans-116115.9-174.9-178.70000107.6L155 V181 F216 F220L155-V218 HydrophobicContact CD2-CG2 3.65Å; V181-V218 HydrophobicContact CG1-CB 4.2Å; V181-V218 HydrophobicContact CG1-CG1 3.73Å; V181-V218 HydrophobicContact CG1-CG2 3.42Å; V181-V218 VanDerWaalsContact CG1-CG2 3.42Å; F216-V218 HydrophobicContact CD1-CG2 3.69Å; F216-V218 HydrophobicContact CE1-CB 4.35Å; F216-V218 HydrophobicContact CE1-CG2 3.37Å; F216-V218 HydrophobicContact CG-CG2 4.48Å; F216-V218 HydrophobicContact CZ-CG2 3.93Å; V218-F220 WeakPolarHBondContact CG1-O 3.38Å
219A92Very high94.8Very high60 Ų6052 Ų5250%0.49628%0.277SS..SBendtrans-78.5-36.6179.500000111.4Q152 N153Q152-A219 HydrophobicContact CB-CB 3.81Å; N153-A219 PolarHBondContact OD1-N 3.33Å
220F91.9Very high94.8Very high59 Ų5950.6 Ų50.626%0.25927%0.266SS..SBendtrans-154.8148.6-179.652.1-90.9000111.9Q152 N153 V218 T222 E251Q152-F220 HydrophobicContact CB-CE1 3.79Å; Q152-F220 HydrophobicContact CG-CE1 4.15Å; N153-F220 PolarHBondContact ND2-O 3.07Å; N153-F220 PolarHBondContact OD1-N 3.39Å; N153-F220 PolarHBondContact OD1-O 3.35Å; V218-F220 WeakPolarHBondContact CG1-O 3.38Å; F220-T222 WeakPolarHBondContact CD2-OG1 3.18Å; F220-T222 WeakPolarHBondContact CE2-OG1 3.42Å; F220-T222 PolarHBondContact O-N 2.85Å; F220-T222 PolarHBondContact O-OG1 3.05Å; F220-E251 HydrophobicContact CE2-CG 3.85Å; F220-E251 HydrophobicContact CZ-CG 4.14Å
221D94.1Very high94.8Very high103 Ų10350.1 Ų50.155%0.55126%0.262SS*.  trans-57.1130.2173.9-68.3-10.8000109.9V181 V182 D183V181-D221 CarbonylContact O-C 3.5Å; V181-D221 VanDerWaalsContact O-CA 3.27Å; V181-D221 WeakPolarHBondContact O-CA 3.44Å; V182-D221 WeakPolarHBondContact CA-OD1 3.44Å; D183-D221 PolarHBondContact N-OD1 3.1Å
222T94.2Very high94.8Very high10 Ų1044.3 Ų44.36%0.06123%0.234CC..EExtended strand (participates in β ladder)trans-147.2139.9-169.3-62.50000110.8N153 A180 V181 F220 I224 F249 G250N153-T222 WeakPolarHBondContact ND2-CB 3.44Å; N153-T222 PolarHBondContact ND2-OG1 3Å; A180-T222 CarbonylContact C-O 3.57Å; A180-T222 VanDerWaalsContact CA-O 3.27Å; A180-T222 WeakPolarHBondContact CA-O 3.34Å; V181-T222 PolarHBondContact N-O 2.98Å; V181-T222 PolarHBondContact O-N 3.24Å; F220-T222 WeakPolarHBondContact CD2-OG1 3.18Å; F220-T222 WeakPolarHBondContact CE2-OG1 3.42Å; F220-T222 PolarHBondContact O-N 2.85Å; F220-T222 PolarHBondContact O-OG1 3.05Å; T222-I224 HydrophobicContact CG2-CG2 3.92Å; T222-F249 HydrophobicContact CG2-CD2 3.95Å; T222-F249 HydrophobicContact CG2-CE2 3.96Å; T222-G250 WeakPolarHBondContact CG2-O 3.21Å
223E94.5Very high94.9Very high86 Ų8640.6 Ų40.640%0.40222%0.216SC..EExtended strand (participates in β ladder)trans-129.2113.2173.6179.4173.5107.600109.7V178 L179 A180 P252V178-E223 HydrophobicContact CG1-CG 3.28Å; L179-E223 CarbonylContact O-C 3.55Å; L179-E223 WeakPolarHBondContact O-CA 3Å; A180-E223 HydrophobicContact CB-CB 4.01Å; A180-E223 HydrophobicContact CB-CG 3.97Å; E223-P252 WeakPolarHBondContact O-CG 2.96Å
224I95Very high95Very high1 Ų139.7 Ų39.71%0.00521%0.212CC..EExtended strand (participates in β ladder)trans-117.9144178.157163.7000111.4V178 L179 T222 F226 F249 P252 A256 T274V178-I224 CarbonylContact C-O 3.53Å; V178-I224 WeakPolarHBondContact CA-O 3.11Å; L179-I224 HydrophobicContact CB-CG1 4.01Å; L179-I224 HydrophobicContact CD2-CD1 4.05Å; L179-I224 HydrophobicContact CD2-CG1 4.15Å; L179-I224 HydrophobicContact CG-CG1 4.41Å; L179-I224 PolarHBondContact N-O 3.32Å; L179-I224 PolarHBondContact O-N 3.43Å; T222-I224 HydrophobicContact CG2-CG2 3.92Å; I224-F226 HydrophobicContact CD1-CD1 4.09Å; I224-F226 HydrophobicContact CD1-CE1 4.35Å; I224-F226 HydrophobicContact CG1-CD1 4.35Å; I224-F249 HydrophobicContact CD1-CB 3.8Å; I224-F249 HydrophobicContact CD1-CD2 3.96Å; I224-F249 HydrophobicContact CD1-CG 3.9Å; I224-F249 HydrophobicContact CG1-CD2 4.35Å; I224-P252 HydrophobicContact CG2-CG 4.45Å; I224-A256 HydrophobicContact CD1-CB 3.71Å; I224-T274 HydrophobicContact CB-CG2 3.99Å; I224-T274 HydrophobicContact CD1-CG2 3.83Å; I224-T274 HydrophobicContact CG1-CG2 4.48Å; I224-T274 HydrophobicContact CG2-CG2 4.31Å
225T95.3Very high95Very high2 Ų234.7 Ų34.71%0.01219%0.186CC..EExtended strand (participates in β ladder)trans-110.7130173.6-53.50000109.9E176 V177 V178 Y191 T274 M275E176-T225 HydrophobicContact CB-CG2 4.26Å; V177-T225 WeakPolarHBondContact O-CA 3.33Å; V178-T225 HydrophobicContact CG2-CG2 4.35Å; Y191-T225 HydrophobicContact CD1-CG2 4.31Å; Y191-T225 HydrophobicContact CD2-CG2 3.7Å; Y191-T225 HydrophobicContact CE2-CG2 4.17Å; Y191-T225 HydrophobicContact CG-CG2 3.77Å; T225-T274 CarbonylContact O-C 3.51Å; T225-T274 WeakPolarHBondContact O-CA 3.22Å; T225-M275 HydrophobicContact CG2-CG 4.16Å; T225-M275 HydrophobicContact CG2-SD 3.55Å; T225-M275 VanDerWaalsContact CG2-SD 3.55Å; T225-M275 PolarHBondContact O-N 3.03Å
226F95.1Very high94.9Very high2 Ų230.7 Ų30.71%0.00917%0.169CC..EExtended strand (participates in β ladder)trans-145.6167.7178.562.4-94.8000112.4E176 V177 L179 F188 I224 L228 F231 F258 L272 A273 T274E176-F226 WeakPolarHBondContact CA-O 3.16Å; V177-F226 HydrophobicContact CG1-CD2 4.14Å; V177-F226 HydrophobicContact CG1-CE1 4.08Å; V177-F226 HydrophobicContact CG1-CE2 3.59Å; V177-F226 HydrophobicContact CG1-CZ 3.58Å; V177-F226 PolarHBondContact N-O 3.23Å; V177-F226 PolarHBondContact O-N 3.44Å; V177-F226 VanDerWaalsContact O-N 3.07Å; L179-F226 HydrophobicContact CB-CE1 3.68Å; L179-F226 HydrophobicContact CB-CZ 4.5Å; L179-F226 HydrophobicContact CD2-CE1 4.26Å; F188-F226 HydrophobicContact CE1-CZ 4.08Å; I224-F226 HydrophobicContact CD1-CD1 4.09Å; I224-F226 HydrophobicContact CD1-CE1 4.35Å; I224-F226 HydrophobicContact CG1-CD1 4.35Å; F226-L228 PolarHBondContact O-N 2.85Å; F226-F231 HydrophobicContact CD2-CB 4.39Å; F226-F231 HydrophobicContact CE2-CB 3.76Å; F226-F231 HydrophobicContact CE2-CD1 4.38Å; F226-F231 AromaticContact CE2-CG 3.99Å; F226-F231 HydrophobicContact CE2-CG 3.99Å; F226-F258 HydrophobicContact CD1-CZ 4.4Å; F226-F258 HydrophobicContact CD2-CZ 4.35Å; F226-F258 AromaticContact CE1-CZ 3.88Å; F226-F258 HydrophobicContact CE1-CZ 3.88Å; F226-F258 HydrophobicContact CE2-CE2 4.42Å; F226-F258 AromaticContact CE2-CZ 3.87Å; F226-F258 HydrophobicContact CE2-CZ 3.87Å; F226-F258 HydrophobicContact CZ-CE1 4.19Å; F226-F258 AromaticContact CZ-CZ 3.6Å; F226-F258 HydrophobicContact CZ-CZ 3.6Å; F226-L272 HydrophobicContact CD2-CD1 3.82Å; F226-L272 HydrophobicContact CE2-CD1 4.34Å; F226-A273 WeakPolarHBondContact CB-O 3.16Å; F226-T274 HydrophobicContact CB-CG2 4.47Å
227A94.8Very high95Very high20 Ų2028.4 Ų28.417%0.16516%0.159CC..EExtended strand (participates in β ladder)trans-70.3113.1-179.800000112.2Q175 T229 E230 F231Q175-A227 CarbonylContact O-C 3.52Å; Q175-A227 WeakPolarHBondContact O-CA 3.45Å; A227-T229 VanDerWaalsContact C-N 3.26Å; A227-T229 PolarHBondContact O-N 3.13Å; A227-E230 HydrophobicContact CB-CB 4.28Å; A227-E230 HydrophobicContact CB-CG 3.98Å; A227-E230 WeakPolarHBondContact CB-OE2 3.19Å; A227-E230 PolarHBondContact O-N 3.23Å; A227-F231 PolarHBondContact O-N 3.26Å
228L95.1Very high95.1Very high0 Ų023.5 Ų23.50%013%0.133CC..Hα-helixtrans-67.3-28.6176.3-176.557.4000111.9V166 F170 Q174 Q175 V177 F226 F231 R232V166-L228 HydrophobicContact CG1-CD1 3.86Å; F170-L228 HydrophobicContact CB-CD2 3.76Å; F170-L228 HydrophobicContact CD2-CD2 4.28Å; F170-L228 HydrophobicContact CG-CD2 3.92Å; Q174-L228 HydrophobicContact CB-CD2 4.02Å; Q174-L228 HydrophobicContact CG-CD2 3.79Å; Q175-L228 WeakPolarHBondContact O-CB 3.16Å; Q175-L228 PolarHBondContact O-N 3.07Å; V177-L228 HydrophobicContact CB-CB 4.2Å; V177-L228 HydrophobicContact CB-CD1 4.36Å; V177-L228 HydrophobicContact CB-CD2 4.38Å; V177-L228 HydrophobicContact CG1-CB 4.23Å; V177-L228 HydrophobicContact CG1-CD1 4.09Å; F226-L228 PolarHBondContact O-N 2.85Å; L228-F231 HydrophobicContact CD1-CD1 4.14Å; L228-F231 PolarHBondContact O-N 3.16Å; L228-R232 HydrophobicContact CD1-CG 4.45Å; L228-R232 VanDerWaalsContact CD2-CZ 3.45Å; L228-R232 HydrophobicContact CG-CG 4.4Å; L228-R232 WeakPolarHBondContact O-CB 3.39Å; L228-R232 VanDerWaalsContact O-CG 3.27Å; L228-R232 WeakPolarHBondContact O-CG 3.45Å; L228-R232 PolarHBondContact O-N 3.1Å
229T93.8Very high95.1Very high51 Ų5127.3 Ų27.331%0.31315%0.148SC..Hα-helixtrans-62-43.5175.848.90000112A227 R232 A233A227-T229 VanDerWaalsContact C-N 3.26Å; A227-T229 PolarHBondContact O-N 3.13Å; T229-R232 PolarHBondContact O-N 3.06Å; T229-A233 PolarHBondContact O-N 2.87Å
230E95.3Very high95.2Very high10 Ų1028.6 Ų28.65%0.04714%0.144CC..Hα-helixtrans-69.7-39.6177.4-61.4173.5150.800110.8S43 S47 A48 A227 R232 A233 L272S43-E230 WeakPolarHBondContact CB-OE1 3.16Å; S43-E230 PolarHBondContact OG-OE1 2.61Å; S47-E230 PolarHBondContact OG-OE1 3.33Å; A48-E230 HydrophobicContact CB-CB 4.17Å; A48-E230 HydrophobicContact CB-CG 3.93Å; A48-E230 WeakPolarHBondContact CB-OE1 3.32Å; A48-E230 WeakPolarHBondContact CB-OE2 3.47Å; A227-E230 HydrophobicContact CB-CB 4.28Å; A227-E230 HydrophobicContact CB-CG 3.98Å; A227-E230 WeakPolarHBondContact CB-OE2 3.19Å; A227-E230 PolarHBondContact O-N 3.23Å; E230-R232 PolarHBondContact O-N 3.42Å; E230-A233 WeakPolarHBondContact O-CB 3.4Å; E230-A233 PolarHBondContact O-N 3.19Å; E230-A233 VanDerWaalsContact O-N 3.16Å; E230-L272 HydrophobicContact CB-CD1 4.1Å; E230-L272 HydrophobicContact CB-CD2 3.66Å
231F96.4Very high95.3Very high0 Ų026.4 Ų26.40%014%0.136CC..Hα-helixtrans-65.6-37.7173.4-173.8-119.2000112.9I162 V166 F188 F226 A227 L228 A233 L234 L235 F247 F258 L272I162-F231 HydrophobicContact CG2-CE1 3.88Å; I162-F231 HydrophobicContact CG2-CZ 3.8Å; V166-F231 HydrophobicContact CG2-CE1 4.25Å; F188-F231 HydrophobicContact CZ-CE1 4.49Å; F226-F231 HydrophobicContact CD2-CB 4.39Å; F226-F231 HydrophobicContact CE2-CB 3.76Å; F226-F231 HydrophobicContact CE2-CD1 4.38Å; F226-F231 AromaticContact CE2-CG 3.99Å; F226-F231 HydrophobicContact CE2-CG 3.99Å; A227-F231 PolarHBondContact O-N 3.26Å; L228-F231 HydrophobicContact CD1-CD1 4.14Å; L228-F231 PolarHBondContact O-N 3.16Å; F231-A233 PolarHBondContact O-N 3.4Å; F231-L234 HydrophobicContact CD2-CD2 4.23Å; F231-L234 HydrophobicContact CE2-CD2 3.92Å; F231-L234 WeakPolarHBondContact O-CB 3.45Å; F231-L234 PolarHBondContact O-N 2.82Å; F231-L234 VanDerWaalsContact O-N 3.13Å; F231-L235 HydrophobicContact CD1-CD1 3.98Å; F231-L235 HydrophobicContact CD1-CG 4.21Å; F231-L235 HydrophobicContact CE1-CD1 3.83Å; F231-L235 HydrophobicContact CE1-CD2 4.01Å; F231-L235 HydrophobicContact CE1-CG 4.01Å; F231-L235 HydrophobicContact CZ-CD2 3.98Å; F231-L235 HydrophobicContact CZ-CG 4.36Å; F231-L235 PolarHBondContact O-N 3.5Å; F231-L235 VanDerWaalsContact O-N 3.07Å; F231-F247 HydrophobicContact CE2-CE1 4.19Å; F231-F247 HydrophobicContact CE2-CZ 4.47Å; F231-F247 AromaticContact CZ-CE1 3.85Å; F231-F247 HydrophobicContact CZ-CE1 3.85Å; F231-F247 AromaticContact CZ-CZ 3.93Å; F231-F247 HydrophobicContact CZ-CZ 3.93Å; F231-F258 AromaticContact CD2-CD1 3.84Å; F231-F258 HydrophobicContact CD2-CD1 3.84Å; F231-F258 HydrophobicContact CD2-CD2 4.06Å; F231-F258 AromaticContact CD2-CE1 3.9Å; F231-F258 HydrophobicContact CD2-CE1 3.9Å; F231-F258 HydrophobicContact CD2-CE2 4.17Å; F231-F258 AromaticContact CD2-CG 3.9Å; F231-F258 HydrophobicContact CD2-CG 3.9Å; F231-F258 HydrophobicContact CD2-CZ 4.08Å; F231-F258 HydrophobicContact CE2-CB 4.28Å; F231-F258 AromaticContact CE2-CD1 3.35Å; F231-F258 HydrophobicContact CE2-CD1 3.35Å; F231-F258 HydrophobicContact CE2-CD2 4.36Å; F231-F258 AromaticContact CE2-CE1 3.62Å; F231-F258 HydrophobicContact CE2-CE1 3.62Å; F231-F258 AromaticContact CE2-CG 3.74Å; F231-F258 HydrophobicContact CE2-CG 3.74Å; F231-F258 HydrophobicContact CE2-CZ 4.27Å; F231-F258 HydrophobicContact CZ-CD1 4.26Å; F231-F258 HydrophobicContact CZ-CE1 4.32Å; F231-L272 HydrophobicContact CB-CD1 4.06Å
232R95.8Very high95.4Very high39 Ų3925.7 Ų25.715%0.14714%0.136CC..Hα-helixtrans-61.3-27.2173.2-80.8179.5179127-4.2113F170 S171 Q174 L228 T229 E230 L235 S236F170-R232 PolarHBondContact O-NH2 3.37Å; S171-R232 PolarHBondContact O-NH2 3.32Å; Q174-R232 PolarHBondContact O-NH1 3.23Å; L228-R232 HydrophobicContact CD1-CG 4.45Å; L228-R232 VanDerWaalsContact CD2-CZ 3.45Å; L228-R232 HydrophobicContact CG-CG 4.4Å; L228-R232 WeakPolarHBondContact O-CB 3.39Å; L228-R232 VanDerWaalsContact O-CG 3.27Å; L228-R232 WeakPolarHBondContact O-CG 3.45Å; L228-R232 PolarHBondContact O-N 3.1Å; T229-R232 PolarHBondContact O-N 3.06Å; E230-R232 PolarHBondContact O-N 3.42Å; R232-L235 PolarHBondContact O-N 2.58Å; R232-S236 PolarHBondContact O-N 2.78Å
233A96.2Very high95.5Very high1 Ų125.6 Ų25.61%0.00814%0.136CC..Hα-helixtrans-60.6-46.7174.500000110.7A19 K22 L23 T229 E230 F231 S236 Y270A19-A233 WeakPolarHBondContact CB-O 3.2Å; A19-A233 WeakPolarHBondContact O-CB 3.5Å; K22-A233 HydrophobicContact CB-CB 3.58Å; L23-A233 HydrophobicContact CD1-CB 3.89Å; L23-A233 HydrophobicContact CG-CB 4.32Å; T229-A233 PolarHBondContact O-N 2.87Å; E230-A233 WeakPolarHBondContact O-CB 3.4Å; E230-A233 PolarHBondContact O-N 3.19Å; E230-A233 VanDerWaalsContact O-N 3.16Å; F231-A233 PolarHBondContact O-N 3.4Å; A233-S236 PolarHBondContact O-N 2.67Å; A233-S236 PolarHBondContact O-OG 3.24Å; A233-Y270 HydrophobicContact CB-CE1 4.08Å
234L97Very high95.6Very high0 Ų024.2 Ų24.20%014%0.135CC..Hα-helixtrans-60.1-49.3171.617468.4000111.7F231 S236 F237 V238 I245 F258 L260 Y270F231-L234 HydrophobicContact CD2-CD2 4.23Å; F231-L234 HydrophobicContact CE2-CD2 3.92Å; F231-L234 WeakPolarHBondContact O-CB 3.45Å; F231-L234 PolarHBondContact O-N 2.82Å; F231-L234 VanDerWaalsContact O-N 3.13Å; L234-S236 PolarHBondContact O-N 2.88Å; L234-F237 WeakPolarHBondContact O-CB 3.4Å; L234-F237 PolarHBondContact O-N 3.37Å; L234-V238 PolarHBondContact O-N 3.28Å; L234-I245 HydrophobicContact CD2-CG2 4.22Å; L234-F258 HydrophobicContact CD2-CB 3.53Å; L234-F258 HydrophobicContact CD2-CG 4.39Å; L234-L260 HydrophobicContact CD1-CD1 3.53Å; L234-L260 HydrophobicContact CD1-CD2 4.08Å; L234-L260 HydrophobicContact CD1-CG 3.7Å; L234-Y270 HydrophobicContact CB-CD1 3.83Å; L234-Y270 HydrophobicContact CB-CD2 4.15Å; L234-Y270 HydrophobicContact CB-CE1 3.75Å; L234-Y270 HydrophobicContact CB-CE2 4.11Å; L234-Y270 HydrophobicContact CB-CG 4.03Å; L234-Y270 HydrophobicContact CD1-CD2 3.62Å; L234-Y270 HydrophobicContact CD1-CE2 3.57Å; L234-Y270 HydrophobicContact CD1-CG 4.27Å; L234-Y270 HydrophobicContact CG-CD2 4.35Å; L234-Y270 HydrophobicContact CG-CE2 4.44Å
235L96.8Very high95.7Very high0 Ų024.2 Ų24.20%013%0.134CC..Hα-helixtrans-55.8-37.5-179.1-67.4-174.4000112.3I162 L163 V166 F231 R232 F237 V238 E239 I245I162-L235 HydrophobicContact CG2-CD2 3.91Å; L163-L235 HydrophobicContact CD2-CB 3.75Å; L163-L235 HydrophobicContact CD2-CD2 4.13Å; L163-L235 HydrophobicContact CD2-CG 4.37Å; L163-L235 WeakPolarHBondContact CD2-O 3.29Å; L163-L235 HydrophobicContact CG-CD2 4.4Å; V166-L235 HydrophobicContact CB-CD1 3.83Å; V166-L235 HydrophobicContact CG1-CD1 3.73Å; V166-L235 HydrophobicContact CG2-CD1 4.13Å; F231-L235 HydrophobicContact CD1-CD1 3.98Å; F231-L235 HydrophobicContact CD1-CG 4.21Å; F231-L235 HydrophobicContact CE1-CD1 3.83Å; F231-L235 HydrophobicContact CE1-CD2 4.01Å; F231-L235 HydrophobicContact CE1-CG 4.01Å; F231-L235 HydrophobicContact CZ-CD2 3.98Å; F231-L235 HydrophobicContact CZ-CG 4.36Å; F231-L235 PolarHBondContact O-N 3.5Å; F231-L235 VanDerWaalsContact O-N 3.07Å; R232-L235 PolarHBondContact O-N 2.58Å; L235-F237 PolarHBondContact O-N 3.14Å; L235-V238 HydrophobicContact CD2-CG2 4.28Å; L235-V238 WeakPolarHBondContact O-CG2 3.46Å; L235-V238 PolarHBondContact O-N 2.71Å; L235-E239 PolarHBondContact O-N 3.02Å; L235-I245 HydrophobicContact CD2-CD1 3.7Å
236S95.7Very high95.8Very high13 Ų1325.1 Ų25.19%0.09114%0.14CC..Hα-helixtrans-68.6-18.5178.978.90000115.3K22 R232 A233 L234K22-S236 WeakPolarHBondContact CD-OG 3.28Å; K22-S236 PolarHBondContact NZ-OG 3.39Å; K22-S236 VanDerWaalsContact NZ-OG 3.1Å; R232-S236 PolarHBondContact O-N 2.78Å; A233-S236 PolarHBondContact O-N 2.67Å; A233-S236 PolarHBondContact O-OG 3.24Å; L234-S236 PolarHBondContact O-N 2.88Å
237F97.1Very high96Very high1 Ų125 Ų250%0.00414%0.14CC..Hα-helixtrans-76.3-51170-179.1-97.5000110.7I12 R15 A16 A19 F52 L234 L235 E239 H240 C241 L260 Y266I12-F237 HydrophobicContact CG2-CE2 4.29Å; I12-F237 HydrophobicContact CG2-CZ 4.08Å; R15-F237 HydrophobicContact CB-CD2 4.01Å; R15-F237 HydrophobicContact CB-CE2 4.08Å; A16-F237 HydrophobicContact CB-CD2 4.29Å; A16-F237 HydrophobicContact CB-CE2 3.93Å; A19-F237 HydrophobicContact CB-CB 3.76Å; A19-F237 HydrophobicContact CB-CD2 4.45Å; F52-F237 HydrophobicContact CD1-CE2 4.45Å; F52-F237 HydrophobicContact CD1-CZ 4.39Å; F52-F237 AromaticContact CE1-CD1 3.84Å; F52-F237 HydrophobicContact CE1-CD1 3.84Å; F52-F237 AromaticContact CE1-CD2 3.74Å; F52-F237 HydrophobicContact CE1-CD2 3.74Å; F52-F237 AromaticContact CE1-CE1 3.76Å; F52-F237 HydrophobicContact CE1-CE1 3.76Å; F52-F237 AromaticContact CE1-CE2 3.65Å; F52-F237 HydrophobicContact CE1-CE2 3.65Å; F52-F237 AromaticContact CE1-CG 3.82Å; F52-F237 HydrophobicContact CE1-CG 3.82Å; F52-F237 AromaticContact CE1-CZ 3.66Å; F52-F237 HydrophobicContact CE1-CZ 3.66Å; F52-F237 HydrophobicContact CZ-CB 4.2Å; F52-F237 HydrophobicContact CZ-CD1 4.14Å; F52-F237 AromaticContact CZ-CD2 3.76Å; F52-F237 HydrophobicContact CZ-CD2 3.76Å; F52-F237 HydrophobicContact CZ-CE1 4.5Å; F52-F237 HydrophobicContact CZ-CE2 4.15Å; F52-F237 AromaticContact CZ-CG 3.75Å; F52-F237 HydrophobicContact CZ-CG 3.75Å; F52-F237 HydrophobicContact CZ-CZ 4.5Å; L234-F237 WeakPolarHBondContact O-CB 3.4Å; L234-F237 PolarHBondContact O-N 3.37Å; L235-F237 PolarHBondContact O-N 3.14Å; F237-E239 PolarHBondContact O-N 3.33Å; F237-H240 PolarHBondContact O-N 3.39Å; F237-C241 HydrophobicContact CD1-CB 4.14Å; F237-C241 HydrophobicContact CE1-CB 3.57Å; F237-C241 HydrophobicContact CE2-CB 4.43Å; F237-C241 HydrophobicContact CZ-CB 3.75Å; F237-C241 PolarHBondContact O-N 2.84Å; F237-L260 HydrophobicContact CD1-CD1 3.6Å; F237-L260 HydrophobicContact CE1-CD1 4.03Å; F237-Y266 HydrophobicContact CE1-CD2 4.45Å; F237-Y266 AromaticContact CE1-CE2 3.66Å; F237-Y266 HydrophobicContact CE1-CE2 3.66Å; F237-Y266 HydrophobicContact CZ-CD2 4.28Å; F237-Y266 AromaticContact CZ-CE2 3.7Å; F237-Y266 HydrophobicContact CZ-CE2 3.7Å
238V96.8Very high96Very high1 Ų125.4 Ų25.41%0.00614%0.14CC..Hα-helixtrans-68.9-17.9-175.8-66.70000113.8C159 L163 L234 L235 H240 C241 P242 I245 L260C159-V238 HydrophobicContact CB-CB 3.96Å; C159-V238 HydrophobicContact CB-CG1 4.46Å; C159-V238 HydrophobicContact CB-CG2 4.09Å; L163-V238 HydrophobicContact CD1-CG2 4Å; L163-V238 HydrophobicContact CD2-CG2 4.13Å; L163-V238 HydrophobicContact CG-CG2 4.12Å; L234-V238 PolarHBondContact O-N 3.28Å; L235-V238 HydrophobicContact CD2-CG2 4.28Å; L235-V238 WeakPolarHBondContact O-CG2 3.46Å; L235-V238 PolarHBondContact O-N 2.71Å; V238-H240 PolarHBondContact O-N 2.98Å; V238-C241 WeakPolarHBondContact CA-O 3.26Å; V238-C241 CarbonylContact O-C 3.55Å; V238-P242 WeakPolarHBondContact O-CA 2.99Å; V238-I245 HydrophobicContact CG2-CD1 4.27Å; V238-L260 HydrophobicContact CG1-CD1 3.42Å; V238-L260 VanDerWaalsContact CG1-CD1 3.42Å; V238-L260 HydrophobicContact CG1-CD2 3.5Å; V238-L260 HydrophobicContact CG1-CG 4.12Å
239E94.9Very high96Very high115 Ų11525.5 Ų25.554%0.53714%0.14SC..THydrogen-bonded Turntrans-57.6-34.6168-174.5179176.700112L235 F237L235-E239 PolarHBondContact O-N 3.02Å; F237-E239 PolarHBondContact O-N 3.33Å
240H94Very high96Very high86 Ų8623.1 Ų23.140%0.39813%0.126SC..THydrogen-bonded Turntrans-101.3-27.9179.7-63.2-44.3000113.4R15 F237 V238R15-H240 HydrophobicContact CG-CB 4.34Å; R15-H240 PolarHBondContact NH1-NE2 3.2Å; F237-H240 PolarHBondContact O-N 3.39Å; V238-H240 PolarHBondContact O-N 2.98Å
241C94.4Very high95.8Very high14 Ų1428.5 Ų28.510%0.09515%0.151CC..SBendtrans-124.978.5-178-66.40000108.8F237 V238 V243F237-C241 HydrophobicContact CD1-CB 4.14Å; F237-C241 HydrophobicContact CE1-CB 3.57Å; F237-C241 HydrophobicContact CE2-CB 4.43Å; F237-C241 HydrophobicContact CZ-CB 3.75Å; F237-C241 PolarHBondContact O-N 2.84Å; V238-C241 WeakPolarHBondContact CA-O 3.26Å; V238-C241 CarbonylContact O-C 3.55Å; C241-V243 PolarHBondContact O-N 2.98Å; C241-V243 VanDerWaalsContact O-N 3.07Å
242P94.8Very high95.7Very high87 Ų8730 Ų3057%0.56516%0.16SC*.  trans-68.5109.8-171.427.1-34.4000111.2C159 V238C159-P242 VanDerWaalsContact SG-CA 3.6Å; V238-P242 WeakPolarHBondContact O-CA 2.99Å
243V95.9Very high95.4Very high9 Ų928.9 Ų28.96%0.05516%0.162CC..  trans-136.5139.3178.4178.50000107.2C159 C241 L260 E261 N262C159-V243 VanDerWaalsContact CB-O 3.24Å; C159-V243 WeakPolarHBondContact CB-O 3.19Å; C241-V243 PolarHBondContact O-N 2.98Å; C241-V243 VanDerWaalsContact O-N 3.07Å; V243-L260 HydrophobicContact CG1-CB 4.29Å; V243-E261 VanDerWaalsContact CG1-O 3.26Å; V243-E261 WeakPolarHBondContact CG1-O 3.35Å; V243-N262 HydrophobicContact CG2-CB 4.06Å
244P97.2Very high95.2Very high57 Ų5730.5 Ų30.537%0.3717%0.17SC..PPolyproline II helixtrans-52.3144.5175.6-26.335.3000112.6V156 S157 L214V156-P244 HydrophobicContact CG1-CB 4.09Å; S157-P244 CarbonylContact O-C 3.58Å; S157-P244 WeakPolarHBondContact O-CA 3.45Å; L214-P244 HydrophobicContact CD1-CB 4.02Å; L214-P244 HydrophobicContact CD1-CG 3.94Å
245I97.9Very high95Very high0 Ų030.6 Ų30.60%017%0.171CC..EExtended strand (participates in β ladder)trans-100.2123.5178-52.8174000107.7V156 S157 C159 I162 L234 L235 V238 F247 L260V156-I245 WeakPolarHBondContact CA-O 3.25Å; S157-I245 PolarHBondContact N-O 2.8Å; S157-I245 PolarHBondContact O-N 2.91Å; C159-I245 HydrophobicContact CB-CD1 4.19Å; C159-I245 HydrophobicContact CB-CG1 4.06Å; I162-I245 HydrophobicContact CB-CD1 4.13Å; I162-I245 HydrophobicContact CG1-CD1 4.46Å; I162-I245 HydrophobicContact CG2-CD1 4.15Å; L234-I245 HydrophobicContact CD2-CG2 4.22Å; L235-I245 HydrophobicContact CD2-CD1 3.7Å; V238-I245 HydrophobicContact CG2-CD1 4.27Å; I245-F247 HydrophobicContact CB-CD2 4.5Å; I245-F247 HydrophobicContact CB-CE2 3.8Å; I245-F247 HydrophobicContact CB-CZ 4.38Å; I245-F247 HydrophobicContact CG2-CD2 4.06Å; I245-F247 HydrophobicContact CG2-CE2 3.55Å; I245-F247 HydrophobicContact CG2-CZ 3.89Å; I245-L260 HydrophobicContact CB-CD2 4.34Å; I245-L260 HydrophobicContact CG1-CD2 3.82Å
246T97.6Very high95Very high22 Ų2230.6 Ų30.614%0.13517%0.171CC..EExtended strand (participates in β ladder)trans-96.2128.6171-58.20000109.1R154 L155 V156 V248 F258 S259R154-T246 HydrophobicContact CG-CG2 4.24Å; L155-T246 CarbonylContact O-C 3.46Å; L155-T246 WeakPolarHBondContact O-CA 3.35Å; V156-T246 HydrophobicContact CG2-CG2 4.14Å; T246-V248 HydrophobicContact CG2-CG2 4.09Å; T246-F258 CarbonylContact O-C 3.46Å; T246-F258 VanDerWaalsContact O-CA 3.29Å; T246-F258 WeakPolarHBondContact O-CA 3.39Å; T246-S259 WeakPolarHBondContact CB-OG 3.42Å; T246-S259 PolarHBondContact N-O 2.96Å; T246-S259 PolarHBondContact O-N 2.91Å
247F97.5Very high95Very high0 Ų030.1 Ų30.10%017%0.167CC..EExtended strand (participates in β ladder)trans-105.7128.1176.6-61.8-111.2000107.6R154 L155 I162 M186 F188 F231 I245 F249 F258R154-F247 CarbonylContact C-O 3.49Å; R154-F247 VanDerWaalsContact CA-O 3.26Å; R154-F247 WeakPolarHBondContact CA-O 3.27Å; L155-F247 HydrophobicContact CB-CB 4.12Å; L155-F247 HydrophobicContact CB-CD2 4.45Å; L155-F247 PolarHBondContact N-O 3.4Å; L155-F247 PolarHBondContact O-N 2.89Å; I162-F247 HydrophobicContact CD1-CE2 4.22Å; I162-F247 HydrophobicContact CD1-CZ 3.91Å; I162-F247 HydrophobicContact CG1-CE2 4.09Å; I162-F247 HydrophobicContact CG1-CZ 3.89Å; I162-F247 HydrophobicContact CG2-CZ 4.13Å; M186-F247 HydrophobicContact CE-CD1 4.06Å; M186-F247 HydrophobicContact CE-CE1 3.8Å; M186-F247 HydrophobicContact CE-CZ 4.19Å; F188-F247 HydrophobicContact CZ-CE1 4.18Å; F231-F247 HydrophobicContact CE2-CE1 4.19Å; F231-F247 HydrophobicContact CE2-CZ 4.47Å; F231-F247 AromaticContact CZ-CE1 3.85Å; F231-F247 HydrophobicContact CZ-CE1 3.85Å; F231-F247 AromaticContact CZ-CZ 3.93Å; F231-F247 HydrophobicContact CZ-CZ 3.93Å; I245-F247 HydrophobicContact CB-CD2 4.5Å; I245-F247 HydrophobicContact CB-CE2 3.8Å; I245-F247 HydrophobicContact CB-CZ 4.38Å; I245-F247 HydrophobicContact CG2-CD2 4.06Å; I245-F247 HydrophobicContact CG2-CE2 3.55Å; I245-F247 HydrophobicContact CG2-CZ 3.89Å; F247-F249 HydrophobicContact CB-CD1 4.25Å; F247-F249 HydrophobicContact CB-CE1 4.14Å; F247-F258 AromaticContact CD1-CD1 3.43Å; F247-F258 HydrophobicContact CD1-CD1 3.43Å; F247-F258 VanDerWaalsContact CD1-CD1 3.43Å; F247-F258 AromaticContact CD1-CE1 3.31Å; F247-F258 HydrophobicContact CD1-CE1 3.31Å; F247-F258 AromaticContact CE1-CD1 3.61Å; F247-F258 HydrophobicContact CE1-CD1 3.61Å; F247-F258 AromaticContact CE1-CE1 3.5Å; F247-F258 HydrophobicContact CE1-CE1 3.5Å; F247-F258 HydrophobicContact CG-CD1 4.1Å; F247-F258 HydrophobicContact CG-CE1 4.33Å; F247-F258 HydrophobicContact CZ-CD1 4.44Å
248V96.1Very high95Very high27 Ų2730.1 Ų30.116%0.16417%0.167CC..EExtended strand (participates in β ladder)trans-134119.5174.8172.80000108C151 N153 R154 T246 I257C151-V248 HydrophobicContact CB-CG1 3.39Å; N153-V248 VanDerWaalsContact O-CA 3.31Å; N153-V248 WeakPolarHBondContact O-CA 3.11Å; R154-V248 HydrophobicContact CB-CG2 4.39Å; R154-V248 HydrophobicContact CG-CG2 3.93Å; T246-V248 HydrophobicContact CG2-CG2 4.09Å; V248-I257 HydrophobicContact CB-CB 4.24Å; V248-I257 HydrophobicContact CG1-CD1 4.23Å; V248-I257 PolarHBondContact N-O 3.4Å; V248-I257 PolarHBondContact O-N 3.34Å
249F95.3Very high95Very high2 Ų231.4 Ų31.41%0.00918%0.176CC..EExtended strand (participates in β ladder)trans-153.7160.1-176.656.5-83.7000111.8Q152 N153 L155 L179 V181 T222 I224 F247 A256Q152-F249 PolarHBondContact N-O 2.62Å; N153-F249 HydrophobicContact CB-CD2 4.1Å; N153-F249 HydrophobicContact CB-CE1 4.21Å; N153-F249 HydrophobicContact CB-CE2 3.77Å; N153-F249 HydrophobicContact CB-CG 4.45Å; N153-F249 HydrophobicContact CB-CZ 3.8Å; N153-F249 WeakPolarHBondContact CB-O 3.34Å; N153-F249 PolarHBondContact N-O 2.88Å; N153-F249 PolarHBondContact O-N 2.96Å; N153-F249 VanDerWaalsContact O-N 3.1Å; L155-F249 HydrophobicContact CD1-CE1 4.29Å; L155-F249 HydrophobicContact CD1-CZ 4.41Å; L155-F249 HydrophobicContact CG-CE1 4.44Å; L179-F249 HydrophobicContact CD2-CD1 4.18Å; L179-F249 HydrophobicContact CD2-CE1 3.88Å; L179-F249 HydrophobicContact CD2-CE2 4.38Å; L179-F249 HydrophobicContact CD2-CZ 4Å; V181-F249 HydrophobicContact CB-CZ 4.47Å; V181-F249 HydrophobicContact CG2-CE2 4.27Å; V181-F249 HydrophobicContact CG2-CZ 3.68Å; T222-F249 HydrophobicContact CG2-CD2 3.95Å; T222-F249 HydrophobicContact CG2-CE2 3.96Å; I224-F249 HydrophobicContact CD1-CB 3.8Å; I224-F249 HydrophobicContact CD1-CD2 3.96Å; I224-F249 HydrophobicContact CD1-CG 3.9Å; I224-F249 HydrophobicContact CG1-CD2 4.35Å; F247-F249 HydrophobicContact CB-CD1 4.25Å; F247-F249 HydrophobicContact CB-CE1 4.14Å; F249-A256 HydrophobicContact CB-CB 4.38Å
250G92.8Very high95.1Very high1 Ų126 Ų261%0.0115%0.151CC..  trans-122.2-143.4179.400000111.5T222T222-G250 WeakPolarHBondContact CG2-O 3.21Å
251E92.3Very high95.2Very high124 Ų12428.8 Ų28.858%0.57916%0.164SC*.SBendtrans-72.8165.1-179.1-69.1-171.6142.200112.3F220 G253 D254F220-E251 HydrophobicContact CE2-CG 3.85Å; F220-E251 HydrophobicContact CZ-CG 4.14Å; E251-G253 PolarHBondContact O-N 2.8Å; E251-D254 PolarHBondContact N-OD2 2.94Å; E251-D254 VanDerWaalsContact O-CB 3.3Å; E251-D254 WeakPolarHBondContact O-CB 3.37Å; E251-D254 PolarHBondContact O-N 2.99Å
252P92.9Very high95.2Very high30 Ų3030.6 Ų30.620%0.19517%0.173CC..THydrogen-bonded Turntrans-58.5121.9174.5-26.439.2000111.6E223 I224 M275 N277E223-P252 WeakPolarHBondContact O-CG 2.96Å; I224-P252 HydrophobicContact CG2-CG 4.45Å; P252-M275 CarbonylContact C-O 3.57Å; P252-M275 VanDerWaalsContact CB-O 3.28Å; P252-M275 WeakPolarHBondContact CB-O 3.42Å; P252-N277 WeakPolarHBondContact CB-OD1 3.16Å; P252-N277 WeakPolarHBondContact CG-OD1 3.46Å
253G90.2Very high94.8Very high17 Ų1733.5 Ų33.518%0.17518%0.182CC..THydrogen-bonded Turntrans97.6-2.4-170.800000114.4E251 T274 M275 W347E251-G253 PolarHBondContact O-N 2.8Å; G253-T274 WeakPolarHBondContact CA-OG1 3.27Å; G253-T274 PolarHBondContact N-OG1 2.79Å; G253-M275 PolarHBondContact N-O 2.84Å; G253-W347 WeakPolarHBondContact O-CH2 3.39Å; G253-W347 WeakPolarHBondContact O-CZ3 3.27Å
254D92.1Very high94Very high34 Ų3435 Ų3518%0.18220%0.2CC..SBendtrans-87.9152.5160-76-44.1000110.3T150 E251 T274T150-D254 PolarHBondContact OG1-OD1 3.23Å; E251-D254 PolarHBondContact N-OD2 2.94Å; E251-D254 VanDerWaalsContact O-CB 3.3Å; E251-D254 WeakPolarHBondContact O-CB 3.37Å; E251-D254 PolarHBondContact O-N 2.99Å; D254-T274 WeakPolarHBondContact O-CB 3.28Å; D254-T274 WeakPolarHBondContact O-CG2 3.4Å; D254-T274 PolarHBondContact O-OG1 3.04Å
255P93.5Very high93.7Very high2 Ų235.3 Ų35.31%0.01320%0.198CC..PPolyproline II helixtrans-68.3142.6178.529.3-35.5000111.8F146 C151 V271 L272 W344 W347F146-P255 HydrophobicContact CB-CG 4.16Å; F146-P255 HydrophobicContact CD2-CG 4.44Å; C151-P255 PolarHBondContact SG-O 3.37Å; P255-V271 HydrophobicContact CB-CG1 3.8Å; P255-L272 CarbonylContact C-O 3.58Å; P255-L272 WeakPolarHBondContact CA-O 3.27Å; P255-W344 HydrophobicContact CG-CH2 4.31Å; P255-W344 HydrophobicContact CG-CZ2 4.17Å; P255-W347 HydrophobicContact CB-CZ2 4.11Å
256A95.3Very high93.7Very high0 Ų036 Ų360%020%0.201CC..EExtended strand (participates in β ladder)trans-91.3121.3167.200000109.5I224 F249 F258 L272 T274I224-A256 HydrophobicContact CD1-CB 3.71Å; F249-A256 HydrophobicContact CB-CB 4.38Å; A256-F258 HydrophobicContact CB-CE2 3.68Å; A256-F258 HydrophobicContact CB-CZ 3.82Å; A256-L272 PolarHBondContact N-O 3.07Å; A256-L272 PolarHBondContact O-N 3.02Å; A256-T274 HydrophobicContact CB-CG2 3.73Å
257I96.3Very high93.6Very high3 Ų337 Ų372%0.01521%0.209CC..EExtended strand (participates in β ladder)trans-108.7121.7-177.1-55151.6000108.8F146 K148 V248 E269 Y270 V271F146-I257 HydrophobicContact CD2-CD1 3.82Å; F146-I257 HydrophobicContact CD2-CG1 4.39Å; F146-I257 HydrophobicContact CE2-CD1 3.35Å; F146-I257 HydrophobicContact CE2-CG1 3.81Å; F146-I257 HydrophobicContact CZ-CD1 4.31Å; F146-I257 HydrophobicContact CZ-CG1 4.37Å; K148-I257 HydrophobicContact CG-CD1 4.16Å; V248-I257 HydrophobicContact CB-CB 4.24Å; V248-I257 HydrophobicContact CG1-CD1 4.23Å; V248-I257 PolarHBondContact N-O 3.4Å; V248-I257 PolarHBondContact O-N 3.34Å; I257-E269 HydrophobicContact CG2-CG 3.57Å; I257-Y270 CarbonylContact C-O 3.51Å; I257-Y270 WeakPolarHBondContact CA-O 3.36Å; I257-V271 HydrophobicContact CG1-CG1 4.41Å; I257-V271 HydrophobicContact CG1-CG2 4.46Å
258F97.3Very high93.6Very high2 Ų237.1 Ų37.11%0.00921%0.21CC..EExtended strand (participates in β ladder)trans-115.4123.8175.7-49.7-89.9000108.8F226 F231 L234 T246 F247 A256 E269 Y270 L272F226-F258 HydrophobicContact CD1-CZ 4.4Å; F226-F258 HydrophobicContact CD2-CZ 4.35Å; F226-F258 AromaticContact CE1-CZ 3.88Å; F226-F258 HydrophobicContact CE1-CZ 3.88Å; F226-F258 HydrophobicContact CE2-CE2 4.42Å; F226-F258 AromaticContact CE2-CZ 3.87Å; F226-F258 HydrophobicContact CE2-CZ 3.87Å; F226-F258 HydrophobicContact CZ-CE1 4.19Å; F226-F258 AromaticContact CZ-CZ 3.6Å; F226-F258 HydrophobicContact CZ-CZ 3.6Å; F231-F258 AromaticContact CD2-CD1 3.84Å; F231-F258 HydrophobicContact CD2-CD1 3.84Å; F231-F258 HydrophobicContact CD2-CD2 4.06Å; F231-F258 AromaticContact CD2-CE1 3.9Å; F231-F258 HydrophobicContact CD2-CE1 3.9Å; F231-F258 HydrophobicContact CD2-CE2 4.17Å; F231-F258 AromaticContact CD2-CG 3.9Å; F231-F258 HydrophobicContact CD2-CG 3.9Å; F231-F258 HydrophobicContact CD2-CZ 4.08Å; F231-F258 HydrophobicContact CE2-CB 4.28Å; F231-F258 AromaticContact CE2-CD1 3.35Å; F231-F258 HydrophobicContact CE2-CD1 3.35Å; F231-F258 HydrophobicContact CE2-CD2 4.36Å; F231-F258 AromaticContact CE2-CE1 3.62Å; F231-F258 HydrophobicContact CE2-CE1 3.62Å; F231-F258 AromaticContact CE2-CG 3.74Å; F231-F258 HydrophobicContact CE2-CG 3.74Å; F231-F258 HydrophobicContact CE2-CZ 4.27Å; F231-F258 HydrophobicContact CZ-CD1 4.26Å; F231-F258 HydrophobicContact CZ-CE1 4.32Å; L234-F258 HydrophobicContact CD2-CB 3.53Å; L234-F258 HydrophobicContact CD2-CG 4.39Å; T246-F258 CarbonylContact O-C 3.46Å; T246-F258 VanDerWaalsContact O-CA 3.29Å; T246-F258 WeakPolarHBondContact O-CA 3.39Å; F247-F258 AromaticContact CD1-CD1 3.43Å; F247-F258 HydrophobicContact CD1-CD1 3.43Å; F247-F258 VanDerWaalsContact CD1-CD1 3.43Å; F247-F258 AromaticContact CD1-CE1 3.31Å; F247-F258 HydrophobicContact CD1-CE1 3.31Å; F247-F258 AromaticContact CE1-CD1 3.61Å; F247-F258 HydrophobicContact CE1-CD1 3.61Å; F247-F258 AromaticContact CE1-CE1 3.5Å; F247-F258 HydrophobicContact CE1-CE1 3.5Å; F247-F258 HydrophobicContact CG-CD1 4.1Å; F247-F258 HydrophobicContact CG-CE1 4.33Å; F247-F258 HydrophobicContact CZ-CD1 4.44Å; A256-F258 HydrophobicContact CB-CE2 3.68Å; A256-F258 HydrophobicContact CB-CZ 3.82Å; F258-E269 CarbonylContact O-C 3.6Å; F258-E269 WeakPolarHBondContact O-CA 3.33Å; F258-Y270 PolarHBondContact N-O 2.74Å; F258-Y270 PolarHBondContact O-N 2.93Å; F258-L272 HydrophobicContact CD2-CD1 4.03Å; F258-L272 HydrophobicContact CD2-CG 4.04Å; F258-L272 HydrophobicContact CE2-CB 4.26Å; F258-L272 HydrophobicContact CE2-CD1 3.54Å; F258-L272 HydrophobicContact CE2-CG 3.77Å; F258-L272 HydrophobicContact CZ-CD1 4.46Å
259S96.9Very high93.6Very high28 Ų2836.7 Ų36.720%0.19621%0.206CC..EExtended strand (participates in β ladder)trans-128.6150.8-175.8550000113.2T246 A268T246-S259 WeakPolarHBondContact CB-OG 3.42Å; T246-S259 PolarHBondContact N-O 2.96Å; T246-S259 PolarHBondContact O-N 2.91Å; S259-A268 CarbonylContact C-O 3.54Å; S259-A268 WeakPolarHBondContact CA-O 3.19Å; S259-A268 WeakPolarHBondContact CB-O 3.41Å
260L97.1Very high93.6Very high2 Ų236.6 Ų36.61%0.0121%0.206CC..EExtended strand (participates in β ladder)trans-123138.1173.4-49.9177000108.3L234 F237 V238 V243 I245 S267 A268L234-L260 HydrophobicContact CD1-CD1 3.53Å; L234-L260 HydrophobicContact CD1-CD2 4.08Å; L234-L260 HydrophobicContact CD1-CG 3.7Å; F237-L260 HydrophobicContact CD1-CD1 3.6Å; F237-L260 HydrophobicContact CE1-CD1 4.03Å; V238-L260 HydrophobicContact CG1-CD1 3.42Å; V238-L260 VanDerWaalsContact CG1-CD1 3.42Å; V238-L260 HydrophobicContact CG1-CD2 3.5Å; V238-L260 HydrophobicContact CG1-CG 4.12Å; V243-L260 HydrophobicContact CG1-CB 4.29Å; I245-L260 HydrophobicContact CB-CD2 4.34Å; I245-L260 HydrophobicContact CG1-CD2 3.82Å; L260-S267 CarbonylContact O-C 3.59Å; L260-S267 WeakPolarHBondContact O-CA 3.35Å; L260-S267 WeakPolarHBondContact O-CB 3.43Å; L260-A268 HydrophobicContact CB-CB 4.12Å; L260-A268 HydrophobicContact CD1-CB 4.06Å; L260-A268 HydrophobicContact CG-CB 4.2Å; L260-A268 PolarHBondContact N-O 3.06Å; L260-A268 PolarHBondContact O-N 2.87Å
261E95.5Very high93.8Very high144 Ų14436.8 Ų36.867%0.67321%0.206SC*.EExtended strand (participates in β ladder)trans-133.7108.2174.1-171.5171.6-173.400109.7V243V243-E261 VanDerWaalsContact CG1-O 3.26Å; V243-E261 WeakPolarHBondContact CG1-O 3.35Å
262N94.4Very high93.9Very high51 Ų5130.9 Ų30.927%0.27318%0.179SC..EExtended strand (participates in β ladder)trans-97.797.9167.3-175.333.3000108.2V243 G264 D265 Y266V243-N262 HydrophobicContact CG2-CB 4.06Å; N262-G264 PolarHBondContact O-N 3.26Å; N262-D265 PolarHBondContact ND2-OD2 2.98Å; N262-D265 PolarHBondContact O-N 3.29Å; N262-Y266 HydrophobicContact CB-CD1 4.17Å; N262-Y266 HydrophobicContact CB-CD2 4.08Å; N262-Y266 HydrophobicContact CB-CE1 3.8Å; N262-Y266 HydrophobicContact CB-CE2 3.68Å; N262-Y266 HydrophobicContact CB-CG 4.29Å; N262-Y266 PolarHBondContact N-O 2.92Å; N262-Y266 WeakPolarHBondContact ND2-CE1 3.44Å; N262-Y266 PolarHBondContact O-N 2.99Å
263I86.2Confident94Very high149 Ų14930.6 Ų30.676%0.76418%0.179SC*.THydrogen-bonded Turntrans-45.5120.2-167.9-58.9172.9000111.4D265I263-D265 VanDerWaalsContact C-N 3.32Å; I263-D265 PolarHBondContact O-N 3.2Å
264G80Confident94.2Very high41 Ų4130.3 Ų30.342%0.42317%0.174SC..THydrogen-bonded Turntrans87.9-20.5174.100000116S55 N262S55-G264 WeakPolarHBondContact CB-O 3.4Å; S55-G264 PolarHBondContact OG-O 3.37Å; S55-G264 VanDerWaalsContact OG-O 3.06Å; N262-G264 PolarHBondContact O-N 3.26Å
265D91.4Very high94.1Very high62 Ų6230.4 Ų30.433%0.33217%0.174SC..THydrogen-bonded Turntrans-106.1-63.7-172.7-72.3-21.8000112.3S55 F58 N262 I263S55-D265 VanDerWaalsContact CB-O 3.24Å; S55-D265 WeakPolarHBondContact CB-O 3.46Å; S55-D265 PolarHBondContact N-O 2.78Å; F58-D265 HydrophobicContact CD2-CB 4.29Å; N262-D265 PolarHBondContact ND2-OD2 2.98Å; N262-D265 PolarHBondContact O-N 3.29Å; I263-D265 VanDerWaalsContact C-N 3.32Å; I263-D265 PolarHBondContact O-N 3.2Å
266Y96.1Very high93.9Very high15 Ų1532.3 Ų32.36%0.05919%0.185CC..EExtended strand (participates in β ladder)trans-151.2153.6-175.863.7-95.6000112I12 T53 F54 F58 F237 N262I12-Y266 HydrophobicContact CD1-CE1 4.38Å; I12-Y266 HydrophobicContact CG2-CD1 4.17Å; I12-Y266 HydrophobicContact CG2-CE1 3.92Å; T53-Y266 CarbonylContact O-C 3.53Å; T53-Y266 WeakPolarHBondContact O-CA 3.5Å; T53-Y266 WeakPolarHBondContact O-CB 3.44Å; F54-Y266 HydrophobicContact CD1-CG 4.46Å; F54-Y266 HydrophobicContact CE1-CG 4.41Å; F58-Y266 HydrophobicContact CD2-CD1 4.29Å; F58-Y266 HydrophobicContact CE2-CD1 4.06Å; F237-Y266 HydrophobicContact CE1-CD2 4.45Å; F237-Y266 AromaticContact CE1-CE2 3.66Å; F237-Y266 HydrophobicContact CE1-CE2 3.66Å; F237-Y266 HydrophobicContact CZ-CD2 4.28Å; F237-Y266 AromaticContact CZ-CE2 3.7Å; F237-Y266 HydrophobicContact CZ-CE2 3.7Å; N262-Y266 HydrophobicContact CB-CD1 4.17Å; N262-Y266 HydrophobicContact CB-CD2 4.08Å; N262-Y266 HydrophobicContact CB-CE1 3.8Å; N262-Y266 HydrophobicContact CB-CE2 3.68Å; N262-Y266 HydrophobicContact CB-CG 4.29Å; N262-Y266 PolarHBondContact N-O 2.92Å; N262-Y266 WeakPolarHBondContact ND2-CE1 3.44Å; N262-Y266 PolarHBondContact O-N 2.99Å
267S96.7Very high92.6Very high44 Ų4436.6 Ų36.631%0.30821%0.208SC..EExtended strand (participates in β ladder)trans-130.3159.8170.362.10000110.5F52 T53 L260F52-S267 CarbonylContact C-O 3.57Å; F52-S267 VanDerWaalsContact CA-O 3.3Å; F52-S267 WeakPolarHBondContact CA-O 3.28Å; T53-S267 PolarHBondContact N-O 2.82Å; T53-S267 PolarHBondContact O-N 2.85Å; L260-S267 CarbonylContact O-C 3.59Å; L260-S267 WeakPolarHBondContact O-CA 3.35Å; L260-S267 WeakPolarHBondContact O-CB 3.43Å
268A97Very high90.6Very high2 Ų240.1 Ų40.12%0.01723%0.233CC..EExtended strand (participates in β ladder)trans-137.8146.617300000109.8Y51 F52 S259 L260 Y270Y51-A268 CarbonylContact O-C 3.58Å; Y51-A268 VanDerWaalsContact O-CA 3.25Å; Y51-A268 WeakPolarHBondContact O-CA 3.48Å; F52-A268 HydrophobicContact CD1-CB 3.57Å; F52-A268 HydrophobicContact CD2-CB 4.44Å; F52-A268 HydrophobicContact CE1-CB 3.46Å; F52-A268 VanDerWaalsContact CE1-CB 3.46Å; F52-A268 HydrophobicContact CE2-CB 4.35Å; F52-A268 HydrophobicContact CG-CB 4.07Å; F52-A268 HydrophobicContact CZ-CB 3.88Å; S259-A268 CarbonylContact C-O 3.54Å; S259-A268 WeakPolarHBondContact CA-O 3.19Å; S259-A268 WeakPolarHBondContact CB-O 3.41Å; L260-A268 HydrophobicContact CB-CB 4.12Å; L260-A268 HydrophobicContact CD1-CB 4.06Å; L260-A268 HydrophobicContact CG-CB 4.2Å; L260-A268 PolarHBondContact N-O 3.06Å; L260-A268 PolarHBondContact O-N 2.87Å; A268-Y270 HydrophobicContact CB-CE2 4.43Å
269E95.8Very high88Confident18 Ų1841.6 Ų41.68%0.08425%0.245CC..EExtended strand (participates in β ladder)trans-140.7130173.3-174.6175.690.300109.1A50 Y51 F146 K148 I257 F258 V271A50-E269 VanDerWaalsContact CA-O 3.32Å; A50-E269 WeakPolarHBondContact CA-O 3.44Å; Y51-E269 HydrophobicContact CD1-CB 4.19Å; Y51-E269 HydrophobicContact CE1-CB 3.56Å; Y51-E269 HydrophobicContact CE1-CG 4Å; Y51-E269 WeakPolarHBondContact CE1-OE1 3.17Å; Y51-E269 HydrophobicContact CE2-CB 4.33Å; Y51-E269 PolarHBondContact N-O 3.05Å; Y51-E269 PolarHBondContact O-N 2.79Å; Y51-E269 PolarHBondContact OH-OE1 3.21Å; F146-E269 WeakPolarHBondContact CZ-OE1 3.42Å; K148-E269 IonicContact NZ-OE1 2.67Å; K148-E269 PolarHBondContact NZ-OE1 2.84Å; K148-E269 IonicContact NZ-OE2 2.58Å; K148-E269 PolarHBondContact NZ-OE2 3.33Å; I257-E269 HydrophobicContact CG2-CG 3.57Å; F258-E269 CarbonylContact O-C 3.6Å; F258-E269 WeakPolarHBondContact O-CA 3.33Å; E269-V271 HydrophobicContact CG-CG2 4.23Å
270Y96.7Very high85.4Confident0 Ų043.5 Ų43.50%025%0.253CS..EExtended strand (participates in β ladder)trans-118.9119.9179.9-80-120000107.2L23 A50 F52 A233 L234 I257 F258 A268L23-Y270 HydrophobicContact CD1-CD1 4.33Å; L23-Y270 HydrophobicContact CD1-CE1 3.57Å; L23-Y270 HydrophobicContact CG-CE1 4.37Å; A50-Y270 HydrophobicContact CB-CD1 3.64Å; A50-Y270 HydrophobicContact CB-CD2 3.89Å; A50-Y270 HydrophobicContact CB-CE1 3.72Å; A50-Y270 HydrophobicContact CB-CE2 3.94Å; A50-Y270 HydrophobicContact CB-CG 3.73Å; F52-Y270 AromaticContact CE2-CE2 3.96Å; F52-Y270 HydrophobicContact CE2-CE2 3.96Å; F52-Y270 HydrophobicContact CZ-CE2 4.17Å; A233-Y270 HydrophobicContact CB-CE1 4.08Å; L234-Y270 HydrophobicContact CB-CD1 3.83Å; L234-Y270 HydrophobicContact CB-CD2 4.15Å; L234-Y270 HydrophobicContact CB-CE1 3.75Å; L234-Y270 HydrophobicContact CB-CE2 4.11Å; L234-Y270 HydrophobicContact CB-CG 4.03Å; L234-Y270 HydrophobicContact CD1-CD2 3.62Å; L234-Y270 HydrophobicContact CD1-CE2 3.57Å; L234-Y270 HydrophobicContact CD1-CG 4.27Å; L234-Y270 HydrophobicContact CG-CD2 4.35Å; L234-Y270 HydrophobicContact CG-CE2 4.44Å; I257-Y270 CarbonylContact C-O 3.51Å; I257-Y270 WeakPolarHBondContact CA-O 3.36Å; F258-Y270 PolarHBondContact N-O 2.74Å; F258-Y270 PolarHBondContact O-N 2.93Å; A268-Y270 HydrophobicContact CB-CE2 4.43Å
271V95.7Very high82.3Confident4 Ų447.7 Ų47.72%0.02428%0.283CS..EExtended strand (participates in β ladder)trans-113110.9-177.6-174.30000106.7A48 F49 F146 P255 I257 E269A48-V271 VanDerWaalsContact CA-O 3.3Å; A48-V271 WeakPolarHBondContact CA-O 3.33Å; F49-V271 HydrophobicContact CB-CB 4.43Å; F49-V271 PolarHBondContact N-O 3.04Å; F49-V271 PolarHBondContact O-N 2.9Å; F146-V271 HydrophobicContact CD1-CG1 4.06Å; F146-V271 HydrophobicContact CD1-CG2 4.4Å; F146-V271 HydrophobicContact CE1-CB 4.33Å; F146-V271 HydrophobicContact CE1-CG1 3.98Å; F146-V271 HydrophobicContact CE1-CG2 3.51Å; F146-V271 HydrophobicContact CE2-CG2 4.43Å; F146-V271 HydrophobicContact CG-CG1 4.48Å; F146-V271 HydrophobicContact CZ-CG1 4.3Å; F146-V271 HydrophobicContact CZ-CG2 3.52Å; P255-V271 HydrophobicContact CB-CG1 3.8Å; I257-V271 HydrophobicContact CG1-CG1 4.41Å; I257-V271 HydrophobicContact CG1-CG2 4.46Å; E269-V271 HydrophobicContact CG-CG2 4.23Å
272L95.5Very high79.3Confident1 Ų144.9 Ų44.91%0.00528%0.279CS..EExtended strand (participates in β ladder)trans-111139.5-176.6-50.7-170000110.2A48 F226 E230 F231 P255 A256 F258A48-L272 HydrophobicContact CB-CD2 3.47Å; A48-L272 VanDerWaalsContact CB-CD2 3.47Å; F226-L272 HydrophobicContact CD2-CD1 3.82Å; F226-L272 HydrophobicContact CE2-CD1 4.34Å; E230-L272 HydrophobicContact CB-CD1 4.1Å; E230-L272 HydrophobicContact CB-CD2 3.66Å; F231-L272 HydrophobicContact CB-CD1 4.06Å; P255-L272 CarbonylContact C-O 3.58Å; P255-L272 WeakPolarHBondContact CA-O 3.27Å; A256-L272 PolarHBondContact N-O 3.07Å; A256-L272 PolarHBondContact O-N 3.02Å; F258-L272 HydrophobicContact CD2-CD1 4.03Å; F258-L272 HydrophobicContact CD2-CG 4.04Å; F258-L272 HydrophobicContact CE2-CB 4.26Å; F258-L272 HydrophobicContact CE2-CD1 3.54Å; F258-L272 HydrophobicContact CE2-CG 3.77Å; F258-L272 HydrophobicContact CZ-CD1 4.46Å
273A93.6Very high76.1Confident24 Ų2447.5 Ų47.520%0.19830%0.3CS..  trans-63142.8168.900000110.8S47 F226 W347S47-A273 WeakPolarHBondContact O-CB 3.47Å; S47-A273 PolarHBondContact O-N 3.2Å; F226-A273 WeakPolarHBondContact CB-O 3.16Å; A273-W347 HydrophobicContact CB-CZ2 4.44Å
274T94.5Very high73.5Confident10 Ų1046.2 Ų46.26%0.06129%0.294CS..  trans-114.6151.9169.271.80000110.4I224 T225 F226 G253 D254 A256I224-T274 HydrophobicContact CB-CG2 3.99Å; I224-T274 HydrophobicContact CD1-CG2 3.83Å; I224-T274 HydrophobicContact CG1-CG2 4.48Å; I224-T274 HydrophobicContact CG2-CG2 4.31Å; T225-T274 CarbonylContact O-C 3.51Å; T225-T274 WeakPolarHBondContact O-CA 3.22Å; F226-T274 HydrophobicContact CB-CG2 4.47Å; G253-T274 WeakPolarHBondContact CA-OG1 3.27Å; G253-T274 PolarHBondContact N-OG1 2.79Å; D254-T274 WeakPolarHBondContact O-CB 3.28Å; D254-T274 WeakPolarHBondContact O-CG2 3.4Å; D254-T274 PolarHBondContact O-OG1 3.04Å; A256-T274 HydrophobicContact CB-CG2 3.73Å
275M91.4Very high71.1Confident37 Ų3750.7 Ų50.718%0.18231%0.314CS..  trans-71.8141.2176.4-60.1-175.978.800111Y191 T225 P252 G253 A279Y191-M275 HydrophobicContact CE1-SD 4.17Å; Y191-M275 HydrophobicContact CE2-SD 4.36Å; T225-M275 HydrophobicContact CG2-CG 4.16Å; T225-M275 HydrophobicContact CG2-SD 3.55Å; T225-M275 VanDerWaalsContact CG2-SD 3.55Å; T225-M275 PolarHBondContact O-N 3.03Å; P252-M275 CarbonylContact C-O 3.57Å; P252-M275 VanDerWaalsContact CB-O 3.28Å; P252-M275 WeakPolarHBondContact CB-O 3.42Å; G253-M275 PolarHBondContact N-O 2.84Å; M275-A279 HydrophobicContact CE-CB 3.67Å
276T88.4Confident68.3Low41 Ų4157.6 Ų57.625%0.25234%0.335SS..  trans-78.7149171.354.40000111.3S278 A279T276-S278 PolarHBondContact O-N 3.1Å; T276-A279 PolarHBondContact O-N 2.86Å
277N69Low65.2Low91 Ų9162.7 Ų62.749%0.48737%0.37SS..G310 helixtrans-55.4-19.9-179.1-84.8-17.5000116.1P252 A279 L280 S281P252-N277 WeakPolarHBondContact CB-OD1 3.16Å; P252-N277 WeakPolarHBondContact CG-OD1 3.46Å; N277-A279 PolarHBondContact O-N 2.74Å; N277-A279 VanDerWaalsContact O-N 3.1Å; N277-L280 PolarHBondContact O-N 3.5Å; N277-S281 PolarHBondContact O-N 3.2Å; N277-S281 PolarHBondContact O-OG 3.5Å
278S52.7Low62.1Low77 Ų7766.3 Ų66.354%0.53840%0.395SS..G310 helixtrans-59.6-20174.4-52.90000113.4T276 S281T276-S278 PolarHBondContact O-N 3.1Å; S278-S281 PolarHBondContact O-OG 3.37Å
279A43.9Very low58.9Low32 Ų3274.9 Ų74.926%0.26444%0.437SS..G310 helixtrans-81.1-17.3172.900000113.9M275 T276 N277M275-A279 HydrophobicContact CE-CB 3.67Å; T276-A279 PolarHBondContact O-N 2.86Å; N277-A279 PolarHBondContact O-N 2.74Å; N277-A279 VanDerWaalsContact O-N 3.1Å
280L42.2Very low56.1Low68 Ų6884 Ų8436%0.35648%0.477SS..THydrogen-bonded Turntrans-100-14-178.4-71.9158.8000112.8Y191 N277 S282Y191-L280 HydrophobicContact CE2-CD2 4.49Å; N277-L280 PolarHBondContact O-N 3.5Å; L280-S282 PolarHBondContact O-N 2.65Å
281S31.8Very low53Low91 Ų9194.2 Ų94.264%0.63652%0.515SS*.THydrogen-bonded Turntrans-88.19.6-171.654.10000116.5N277 S278N277-S281 PolarHBondContact O-N 3.2Å; N277-S281 PolarHBondContact O-OG 3.5Å; S278-S281 PolarHBondContact O-OG 3.37Å
282S32.3Very low50Low85 Ų85103 Ų10359%0.59455%0.547SS*.THydrogen-bonded Turntrans-86.8-6.2174.160.90000114.2L280L280-S282 PolarHBondContact O-N 2.65Å
283C28.2Very low46.9Very low105 Ų105110 Ų11071%0.70958%0.578SS**  trans-140.369.8-177.3-77.40000113.4
284D30.1Very low43.9Very low122 Ų122116.5 Ų116.565%0.65261%0.608SS**  trans-133.363164.8-140.70.8000111.4R286D284-R286 PolarHBondContact O-N 2.93Å
285V30.7Very low40.8Very low136 Ų136119.4 Ų119.482%0.82463%0.633SS**  trans-85.185.3160.7-175.80000107.9P287V285-P287 VanDerWaalsContact O-CD 3.28Å; V285-P287 WeakPolarHBondContact O-CD 3.13Å
286R31.4Very low37.9Very low206 Ų206127 Ų12778%0.77767%0.665SS**  trans-63.2114.6160.7-67.3-178.3-175.7-165.4-0.2108.3D284 S288D284-R286 PolarHBondContact O-N 2.93Å; R286-S288 PolarHBondContact O-N 2.82Å; R286-S288 VanDerWaalsContact O-N 3.12Å
287P30.9Very low35.1Very low123 Ų123130.3 Ų130.380%0.79969%0.69SS**  trans-82.1103.8-178.831-27.3000109.1V285V285-P287 VanDerWaalsContact O-CD 3.28Å; V285-P287 WeakPolarHBondContact O-CD 3.13Å
288S33Very low33.3Very low119 Ų119130.5 Ų130.583%0.83270%0.698SS**  trans-71.5137.516482.70000110.4R286 K290R286-S288 PolarHBondContact O-N 2.82Å; R286-S288 VanDerWaalsContact O-N 3.12Å; S288-K290 PolarHBondContact O-N 3.23Å
289M29.9Very low32.2Very low183 Ų183133 Ų13390%0.90171%0.71SS**  trans-78.6108.7-159.7-166.1171.195.200113.1
290K35.7Very low31.4Very low210 Ų210135.3 Ų135.391%0.91373%0.73SS**  trans-143.3103158.2-73.4-167.8-178170.80114.5S288S288-K290 PolarHBondContact O-N 3.23Å
291R31.8Very low30.9Very low214 Ų214138.8 Ų138.881%0.80875%0.754SS**  trans5.9134.2150.4-91.7173.5140.1172.9-3.9121.5
292R32.1Very low30.7Very low187 Ų187143.7 Ų143.771%0.70676%0.764SS**  trans82.4136.4135.7-76.8-179.2131.6172.2-4.4116.9
293K31.7Very low30.9Very low150 Ų150144.7 Ų144.765%0.65277%0.769SS**  cis-162.5135.513.7-97.1158.1-179.5-172.70107.2
294I30.6Very low30.9Very low159 Ų159145.5 Ų145.582%0.81577%0.77SS**  51.4121.7108.4-54.4170.1000113.2
295A29.5Very low30.7Very low72 Ų72149 Ų14960%0.59577%0.774SS**  cis-174.2157.64200000114.2
296K29.7Very low30.6Very low196 Ų196149 Ų14985%0.85277%0.767SS**  trans71.4113.7135.9-68.3173.8-177.9-175.70119.7
297S30.3Very low30.5Very low110 Ų110145.4 Ų145.477%0.76976%0.763SS**  84136.284.1-174.90000110.3
298S30.1Very low30.5Very low96 Ų96147.5 Ų147.567%0.67176%0.762SS**  cis-170.8159.36.138.30000103.7
299T30.2Very low30.2Very low128 Ų128146.7 Ų146.779%0.78576%0.756SS**  167150.382.2-45.90000108
300A28.1Very low30.1Very low82 Ų82142.5 Ų142.568%0.67875%0.745SS**  trans-40162.7176.200000116.7
301T30.3Very low30Very low140 Ų140139.7 Ų139.786%0.85974%0.739SS**  -173138.275.7-41.20000111.4
302F27.3Very low29.7Very low195 Ų195137.2 Ų137.286%0.85574%0.737SS**  trans-87.4-170.8166.5-88.4-81000110.6
303P37Very low29.3Very low106 Ų106134.8 Ų134.869%0.68874%0.738SS**  cis-136.4-161.5-27.4241.1000113.2
304V27.9Very low29.1Very low121 Ų121135.3 Ų135.373%0.73375%0.746SS**  trans95.3131.1152.9-1650000113.7
305R27.6Very low28.6Very low196 Ų196134.2 Ų134.274%0.7475%0.747SS**  cis-171.8147.240.7-149161.7174171.5-0.3112.7
306M28.6Very low28.4Very low137 Ų137136.8 Ų136.868%0.67576%0.755SS**  trans44.7157.7137-66.8178.3-177.700121.2
307N27.9Very low27.9Very low130 Ų130133.7 Ų133.770%0.69575%0.753SS**  cis-169.4160.5-4.6-108.82.4000103.1
308E30.9Very low27.7Very low167 Ų167135 Ų13578%0.7876%0.756SS**  168.2126.875-130.7167.8172.100105.4
309S28.1Very low27.3Very low101 Ų101135.8 Ų135.871%0.70676%0.761SS**  70.8144.9106.478.80000114.9
310S27.2Very low27.2Very low95 Ų95137.9 Ų137.966%0.66477%0.767SS**  cis-177.6146.2-3.542.80000105.7
311L32.5Very low27.2Very low151 Ų151142 Ų14279%0.79178%0.776SS**  155.7110.3106-86.2146.5000106.2
312E25.8Very low27Very low163 Ų163138.5 Ų138.576%0.76277%0.767SS**  65.3111.588.5-75.3-162.9166.800118.1
313N24.2Very low27.1Very low135 Ų135138.3 Ų138.372%0.72277%0.769SS**  trans57.6130.5131-58.9-24.5000121.4
314I27.5Very low26.7Very low162 Ų162139.1 Ų139.183%0.83178%0.776SS**  -168.4124.6123-87.8144.3000110.2
315T20.9Very low26.9Very low136 Ų136140.5 Ų140.583%0.83478%0.779SS**  trans-82.6137.8162.828.30000111.4
316T24Very low26.9Very low126 Ų126138.2 Ų138.277%0.77378%0.782SS**  trans-149132.8152.3-36.30000112
317T20.5Very low27.1Very low131 Ų131138.3 Ų138.380%0.80479%0.79SS**  trans-103130.1175.1-560000109
318T25Very low27.2Very low136 Ų136136.4 Ų136.483%0.83479%0.792SS**  trans-167.7132.3148.18.60000112.6
319C22Very low27Very low113 Ų113135.6 Ų135.676%0.76479%0.793SS**  trans-70.3150.8163.3-76.60000110.5
320N28.1Very low27.1Very low173 Ų173140 Ų14093%0.92580%0.802SS**  trans-154.8137.5135.2-95.9-19000111.7
321I27.4Very low27.1Very low169 Ų169146.2 Ų146.287%0.86781%0.811SS**  trans-91.7134.5176-68.7164.6000106.7
322G26.8Very low26.7Very low65 Ų65144.6 Ų144.667%0.6781%0.811SS**  trans83.8112.6155.800000115.9
323E30.3Very low26.7Very low191 Ų191142.6 Ų142.689%0.89381%0.811SS**  trans-151.2113131.9-116.9163.3-171.200107.9
324C26.8Very low26.8Very low124 Ų124142 Ų14284%0.83881%0.805SS**  trans-80.7126.8167.5-50.30000106.4
325D32.2Very low26.7Very low149 Ų149140.2 Ų140.280%0.79780%0.801SS**  trans-141.1136.3158.3-100.1-33.2000111.7
326N28.8Very low26.9Very low148 Ų148142.3 Ų142.379%0.79180%0.802SS**  trans-60.8137.4-168.9-59.5-76.5000115
327V32.6Very low27Very low140 Ų140147.2 Ų147.285%0.84881%0.806SS**  trans-159.197.8135.2-175.30000106.5
328A29.3Very low27.1Very low89 Ų89148.9 Ų148.974%0.73681%0.805SS**  55.9104.7102.100000115.5
329D26.7Very low27.1Very low151 Ų151144.4 Ų144.481%0.80778%0.781SS**  trans5884.2131.8-148.815000117.6
330E31.4Very low27.4Very low192 Ų192145.7 Ų145.790%0.89779%0.786SS**  trans-142.4117.6149.4-103.9179.9-172.800110C332E330-C332 PolarHBondContact O-N 2.7Å; E330-C332 VanDerWaalsContact O-N 3.08Å
331R26.2Very low27.6Very low226 Ų226143 Ų14385%0.85377%0.766SS**  trans-54.7110.4176.1-67.7173.2-175.2176.10.4109.7T333R331-T333 VanDerWaalsContact C-N 3.31Å; R331-T333 PolarHBondContact O-N 2.82Å
332C25Very low28.2Very low117 Ų117142.5 Ų142.579%0.79175%0.753SS**  trans-74.886.7170.8-153.10000109.2E330 M334E330-C332 PolarHBondContact O-N 2.7Å; E330-C332 VanDerWaalsContact O-N 3.08Å; C332-M334 PolarHBondContact O-N 3.32Å
333T26.1Very low28.8Very low122 Ų122140.6 Ų140.675%0.74873%0.726SS**  trans-75.79416350.20000107.7R331 V335R331-T333 VanDerWaalsContact C-N 3.31Å; R331-T333 PolarHBondContact O-N 2.82Å; T333-V335 PolarHBondContact O-N 2.77Å
334M25.2Very low29.6Very low121 Ų121134.6 Ų134.660%0.59670%0.696SS**  trans-79.5113.8172.5-111.9-167.152.300109.6Q138 C332Q138-M334 HydrophobicContact CG-SD 4.39Å; Q138-M334 PolarHBondContact NE2-SD 3.48Å; C332-M334 PolarHBondContact O-N 3.32Å
335V26.1Very low30.4Very low125 Ų125132.1 Ų132.176%0.75867%0.674SS**  trans-71.2122.1172.4173.40000108.7T333 R337T333-V335 PolarHBondContact O-N 2.77Å; V335-R337 PolarHBondContact O-N 3.47Å
336E24.1Very low31.2Very low181 Ų181127.9 Ų127.985%0.84665%0.651SS**  trans-55.3126.5174.2-75.2164.8152.800111.4
337R25.7Very low31.8Very low229 Ų229122.1 Ų122.186%0.86462%0.618SS**  trans-135.5109.7156.2-76-172.3172.9164.3-1.5107.7V335 A339V335-R337 PolarHBondContact O-N 3.47Å; R337-A339 PolarHBondContact O-N 2.85Å; R337-A339 VanDerWaalsContact O-N 3.16Å
338E23.7Very low32.4Very low166 Ų166118.7 Ų118.778%0.77660%0.601SS**  trans-55.1114.7163.8-73172.7131.300108.5
339A25.2Very low33.1Very low41 Ų41120.7 Ų120.734%0.33960%0.595SS.*  trans-13481.1167.900000108.3R337 F341R337-A339 PolarHBondContact O-N 2.85Å; R337-A339 VanDerWaalsContact O-N 3.16Å; A339-F341 HydrophobicContact CB-CD2 4.3Å; A339-F341 PolarHBondContact O-N 3.09Å
340T28.1Very low34.1Very low140 Ų140117.9 Ų117.986%0.85958%0.575SS**  trans-63.990.3154.232.30000107.5R342T340-R342 PolarHBondContact O-N 3.37Å
341F31.4Very low34.7Very low117 Ų117110.5 Ų110.551%0.51355%0.545SS..  trans-67.7120.3-177.8-127.3-83.2000110.1M142 A339 F343 I346M142-F341 HydrophobicContact CE-CB 4.24Å; A339-F341 HydrophobicContact CB-CD2 4.3Å; A339-F341 PolarHBondContact O-N 3.09Å; F341-F343 PolarHBondContact O-N 3.15Å; F341-I346 HydrophobicContact CD1-CD1 3.76Å; F341-I346 HydrophobicContact CD1-CG1 4.41Å; F341-I346 HydrophobicContact CE1-CD1 3.66Å; F341-I346 HydrophobicContact CE1-CG1 4.15Å
342R40.8Very low35.5Very low158 Ų158102.3 Ų102.360%0.59653%0.525SS*.  trans-73.892.9174.5-72.5177.3169.4-161.84.4108.7T340 W344 D345 I346T340-R342 PolarHBondContact O-N 3.37Å; R342-W344 PolarHBondContact O-N 3.3Å; R342-D345 HydrophobicContact CB-CB 3.78Å; R342-D345 VanDerWaalsContact CB-CG 3.47Å; R342-D345 WeakPolarHBondContact CB-OD2 3.48Å; R342-D345 WeakPolarHBondContact CD-OD1 3.31Å; R342-D345 WeakPolarHBondContact CD-OD2 3.18Å; R342-D345 IonicContact NE-OD2 2.86Å; R342-D345 IonicContact NH1-OD1 3.45Å; R342-D345 IonicContact NH1-OD2 2.67Å; R342-D345 PolarHBondContact O-N 3.1Å; R342-I346 PolarHBondContact O-N 3.45Å
343F39.4Very low36.5Very low25 Ų2598.9 Ų98.911%0.1151%0.506CS..Hα-helixtrans-44.7-36.7166-179-101.5000110.9V42 G46 F49 F341 I346 W347V42-F343 HydrophobicContact CG1-CE2 4.12Å; G46-F343 WeakPolarHBondContact O-CE2 3.44Å; G46-F343 WeakPolarHBondContact O-CZ 3.35Å; F49-F343 HydrophobicContact CB-CE2 4.1Å; F49-F343 HydrophobicContact CB-CZ 3.86Å; F341-F343 PolarHBondContact O-N 3.15Å; F343-I346 PolarHBondContact O-N 3.22Å; F343-W347 VanDerWaalsContact O-CB 3.27Å; F343-W347 WeakPolarHBondContact O-CB 3.49Å; F343-W347 PolarHBondContact O-N 2.95Å
344W46.6Very low37.3Very low66 Ų6698.3 Ų98.325%0.2550%0.497CS..Hα-helixtrans-70.6-30.2177-81.780.8000116L145 F146 P255 R342 W347 S348L145-W344 VanDerWaalsContact C-CD1 3.44Å; L145-W344 PolarHBondContact O-NE1 3.42Å; F146-W344 HydrophobicContact CB-CH2 4.43Å; F146-W344 HydrophobicContact CB-CZ2 3.28Å; P255-W344 HydrophobicContact CG-CH2 4.31Å; P255-W344 HydrophobicContact CG-CZ2 4.17Å; R342-W344 PolarHBondContact O-N 3.3Å; W344-W347 HydrophobicContact CD2-CE3 4.29Å; W344-W347 HydrophobicContact CE3-CD2 4.36Å; W344-W347 AromaticContact CE3-CE3 3.5Å; W344-W347 HydrophobicContact CE3-CE3 3.5Å; W344-W347 AromaticContact CE3-CZ3 3.75Å; W344-W347 HydrophobicContact CE3-CZ3 3.75Å; W344-W347 AromaticContact CH2-CE3 3.86Å; W344-W347 HydrophobicContact CH2-CE3 3.86Å; W344-W347 AromaticContact CH2-CH2 3.61Å; W344-W347 HydrophobicContact CH2-CH2 3.61Å; W344-W347 HydrophobicContact CH2-CZ2 4.41Å; W344-W347 AromaticContact CH2-CZ3 3.37Å; W344-W347 HydrophobicContact CH2-CZ3 3.37Å; W344-W347 HydrophobicContact CZ2-CH2 4.44Å; W344-W347 HydrophobicContact CZ2-CZ3 4.33Å; W344-W347 HydrophobicContact CZ3-CD2 4.3Å; W344-W347 AromaticContact CZ3-CE3 3.31Å; W344-W347 HydrophobicContact CZ3-CE3 3.31Å; W344-W347 AromaticContact CZ3-CH2 3.78Å; W344-W347 HydrophobicContact CZ3-CH2 3.78Å; W344-W347 AromaticContact CZ3-CZ3 3.01Å; W344-W347 HydrophobicContact CZ3-CZ3 3.01Å; W344-W347 PolarHBondContact O-N 2.9Å; W344-S348 VanDerWaalsContact O-CB 3.25Å; W344-S348 WeakPolarHBondContact O-CB 3.23Å; W344-S348 PolarHBondContact O-N 3.5Å
345D43.7Very low38Very low72 Ų7296.2 Ų96.239%0.38549%0.488SS..Hα-helixtrans-72.7-37.6176.5-72.1-3.1000110.1R342 W347 Q349R342-D345 HydrophobicContact CB-CB 3.78Å; R342-D345 VanDerWaalsContact CB-CG 3.47Å; R342-D345 WeakPolarHBondContact CB-OD2 3.48Å; R342-D345 WeakPolarHBondContact CD-OD1 3.31Å; R342-D345 WeakPolarHBondContact CD-OD2 3.18Å; R342-D345 IonicContact NE-OD2 2.86Å; R342-D345 IonicContact NH1-OD1 3.45Å; R342-D345 IonicContact NH1-OD2 2.67Å; R342-D345 PolarHBondContact O-N 3.1Å; D345-W347 VanDerWaalsContact C-N 3.35Å; D345-Q349 VanDerWaalsContact O-CB 3.23Å; D345-Q349 WeakPolarHBondContact O-CB 3.01Å; D345-Q349 WeakPolarHBondContact O-CG 3.35Å; D345-Q349 PolarHBondContact O-N 3.1Å
346I48.8Very low38.6Very low59 Ų5993.7 Ų93.730%0.30348%0.476SS..Hα-helixtrans-66.2-41.1171.4-60.5172.5000110.1F341 R342 F343 Q349 K350F341-I346 HydrophobicContact CD1-CD1 3.76Å; F341-I346 HydrophobicContact CD1-CG1 4.41Å; F341-I346 HydrophobicContact CE1-CD1 3.66Å; F341-I346 HydrophobicContact CE1-CG1 4.15Å; R342-I346 PolarHBondContact O-N 3.45Å; F343-I346 PolarHBondContact O-N 3.22Å; I346-Q349 PolarHBondContact O-N 2.9Å; I346-K350 HydrophobicContact CG2-CD 4.24Å; I346-K350 HydrophobicContact CG2-CG 4.49Å; I346-K350 WeakPolarHBondContact O-CB 3.34Å; I346-K350 WeakPolarHBondContact O-CG 3.31Å; I346-K350 PolarHBondContact O-N 2.76Å
347W42.4Very low39.5Very low27 Ų2788.4 Ų88.410%0.10246%0.459CS..Hα-helixtrans-63.1-49179.3-162.678.1000112.1G253 P255 A273 F343 W344 D345 Q349 K350 S351G253-W347 WeakPolarHBondContact O-CH2 3.39Å; G253-W347 WeakPolarHBondContact O-CZ3 3.27Å; P255-W347 HydrophobicContact CB-CZ2 4.11Å; A273-W347 HydrophobicContact CB-CZ2 4.44Å; F343-W347 VanDerWaalsContact O-CB 3.27Å; F343-W347 WeakPolarHBondContact O-CB 3.49Å; F343-W347 PolarHBondContact O-N 2.95Å; W344-W347 HydrophobicContact CD2-CE3 4.29Å; W344-W347 HydrophobicContact CE3-CD2 4.36Å; W344-W347 AromaticContact CE3-CE3 3.5Å; W344-W347 HydrophobicContact CE3-CE3 3.5Å; W344-W347 AromaticContact CE3-CZ3 3.75Å; W344-W347 HydrophobicContact CE3-CZ3 3.75Å; W344-W347 AromaticContact CH2-CE3 3.86Å; W344-W347 HydrophobicContact CH2-CE3 3.86Å; W344-W347 AromaticContact CH2-CH2 3.61Å; W344-W347 HydrophobicContact CH2-CH2 3.61Å; W344-W347 HydrophobicContact CH2-CZ2 4.41Å; W344-W347 AromaticContact CH2-CZ3 3.37Å; W344-W347 HydrophobicContact CH2-CZ3 3.37Å; W344-W347 HydrophobicContact CZ2-CH2 4.44Å; W344-W347 HydrophobicContact CZ2-CZ3 4.33Å; W344-W347 HydrophobicContact CZ3-CD2 4.3Å; W344-W347 AromaticContact CZ3-CE3 3.31Å; W344-W347 HydrophobicContact CZ3-CE3 3.31Å; W344-W347 AromaticContact CZ3-CH2 3.78Å; W344-W347 HydrophobicContact CZ3-CH2 3.78Å; W344-W347 AromaticContact CZ3-CZ3 3.01Å; W344-W347 HydrophobicContact CZ3-CZ3 3.01Å; W344-W347 PolarHBondContact O-N 2.9Å; D345-W347 VanDerWaalsContact C-N 3.35Å; W347-Q349 VanDerWaalsContact C-N 3.34Å; W347-Q349 PolarHBondContact O-N 3.38Å; W347-K350 PolarHBondContact O-N 3.37Å; W347-S351 PolarHBondContact O-N 3.49Å; W347-S351 PolarHBondContact O-OG 3.36Å
348S44.1Very low40.3Very low69 Ų6980.2 Ų80.248%0.48344%0.437SS..Hα-helixtrans-66.9-32.3175.9-175.70000112.8W344 S351 A352W344-S348 VanDerWaalsContact O-CB 3.25Å; W344-S348 WeakPolarHBondContact O-CB 3.23Å; W344-S348 PolarHBondContact O-N 3.5Å; S348-S351 WeakPolarHBondContact CA-OG 3.28Å; S348-S351 PolarHBondContact O-OG 2.68Å; S348-A352 WeakPolarHBondContact O-CB 3.39Å; S348-A352 PolarHBondContact O-N 2.82Å
349Q45.5Very low41Very low131 Ų13177.3 Ų77.361%0.61243%0.427SS*.Hα-helixtrans-75.5-32175.1-77.5176.731.300112.3D345 I346 W347 A352 A353D345-Q349 VanDerWaalsContact O-CB 3.23Å; D345-Q349 WeakPolarHBondContact O-CB 3.01Å; D345-Q349 WeakPolarHBondContact O-CG 3.35Å; D345-Q349 PolarHBondContact O-N 3.1Å; I346-Q349 PolarHBondContact O-N 2.9Å; W347-Q349 VanDerWaalsContact C-N 3.34Å; W347-Q349 PolarHBondContact O-N 3.38Å; Q349-A352 CarbonylContact O-C 3.59Å; Q349-A352 PolarHBondContact O-N 2.82Å; Q349-A353 WeakPolarHBondContact O-CB 3.17Å; Q349-A353 PolarHBondContact O-N 3.01Å
350K46.3Very low41.8Very low92 Ų9279 Ų7940%0.444%0.436SS..Hα-helixtrans-78.3-34.9176.8-78.5-171.1176.3-170.30112.9S45 I346 W347 A352 A353 L354S45-K350 VanDerWaalsContact C-NZ 3.32Å; S45-K350 WeakPolarHBondContact O-CD 3.37Å; S45-K350 WeakPolarHBondContact O-CE 3.01Å; S45-K350 PolarHBondContact O-NZ 3.44Å; I346-K350 HydrophobicContact CG2-CD 4.24Å; I346-K350 HydrophobicContact CG2-CG 4.49Å; I346-K350 WeakPolarHBondContact O-CB 3.34Å; I346-K350 WeakPolarHBondContact O-CG 3.31Å; I346-K350 PolarHBondContact O-N 2.76Å; W347-K350 PolarHBondContact O-N 3.37Å; K350-A352 PolarHBondContact O-N 3.42Å; K350-A353 PolarHBondContact O-N 2.94Å; K350-L354 WeakPolarHBondContact O-CG 3.42Å; K350-L354 PolarHBondContact O-N 3.45Å; K350-L354 VanDerWaalsContact O-N 3.14Å
351S44.7Very low42.3Very low37 Ų3782.3 Ų82.326%0.25943%0.433SS..Hα-helixtrans-59.9-34.9166.260.80000111.2W347 S348W347-S351 PolarHBondContact O-N 3.49Å; W347-S351 PolarHBondContact O-OG 3.36Å; S348-S351 WeakPolarHBondContact CA-OG 3.28Å; S348-S351 PolarHBondContact O-OG 2.68Å
352A42.4Very low42.6Very low53 Ų5383.9 Ų83.944%0.43844%0.442SS..Hα-helixtrans-77.1-34.9172.700000114.8S348 Q349 K350 L355S348-A352 WeakPolarHBondContact O-CB 3.39Å; S348-A352 PolarHBondContact O-N 2.82Å; Q349-A352 CarbonylContact O-C 3.59Å; Q349-A352 PolarHBondContact O-N 2.82Å; K350-A352 PolarHBondContact O-N 3.42Å; A352-L355 WeakPolarHBondContact O-CB 3.39Å; A352-L355 PolarHBondContact O-N 3.42Å
353A45.6Very low42.5Very low46 Ų4684.2 Ų84.238%0.3845%0.45SS..Hα-helixtrans-74.8-31.4-175.200000112.5Q349 K350 L355 S356 S357Q349-A353 WeakPolarHBondContact O-CB 3.17Å; Q349-A353 PolarHBondContact O-N 3.01Å; K350-A353 PolarHBondContact O-N 2.94Å; A353-L355 PolarHBondContact O-N 2.71Å; A353-S356 PolarHBondContact O-N 3.07Å; A353-S356 PolarHBondContact O-OG 2.9Å; A353-S357 PolarHBondContact O-N 2.96Å
354L43.2Very low42.4Very low109 Ų10990.7 Ų90.757%0.57148%0.483SS*.Hα-helixtrans-59.5-26.7169.9-73.3168.2000112.1K350 S357K350-L354 WeakPolarHBondContact O-CG 3.42Å; K350-L354 PolarHBondContact O-N 3.45Å; K350-L354 VanDerWaalsContact O-N 3.14Å; L354-S357 PolarHBondContact O-OG 3.45Å
355L40.4Very low42Very low77 Ų7795.1 Ų95.140%0.40351%0.51SS..Hα-helixtrans-76.3-25.6173.3-64.1160.3000112.8A352 A353A352-L355 WeakPolarHBondContact O-CB 3.39Å; A352-L355 PolarHBondContact O-N 3.42Å; A353-L355 PolarHBondContact O-N 2.71Å
356S39.3Very low41.8Very low73 Ų7395.9 Ų95.951%0.5153%0.526SS..Hα-helixtrans-86-27-176.1720000114.2A353 S358 S360A353-S356 PolarHBondContact O-N 3.07Å; A353-S356 PolarHBondContact O-OG 2.9Å; S356-S358 VanDerWaalsContact C-N 3.3Å; S356-S360 PolarHBondContact O-N 3.07Å; S356-S360 PolarHBondContact O-OG 3.3Å
357S41.8Very low41.4Very low69 Ų6997.4 Ų97.448%0.48354%0.543SS..Hα-helixtrans-75-19.3174.449.80000113.4A353 L354A353-S357 PolarHBondContact O-N 2.96Å; L354-S357 PolarHBondContact O-OG 3.45Å
358S42.8Very low41.2Very low58 Ų58104.4 Ų104.441%0.40658%0.582SS.*Hα-helixtrans-86.9-38.9176.1-56.40000112S356 S360 R361S356-S358 VanDerWaalsContact C-N 3.3Å; S358-S360 PolarHBondContact O-N 3.27Å; S358-R361 PolarHBondContact O-N 3Å
359N39.6Very low40.9Very low105 Ų105106 Ų10656%0.56159%0.593SS**Hα-helixtrans-72.7-24.4177.6-81.2-2.3000114.4R361 E363N359-R361 PolarHBondContact O-N 3.12Å; N359-E363 PolarHBondContact O-N 2.71Å
360S40.4Very low40.5Very low76 Ų76107.3 Ų107.353%0.53160%0.604SS.*Hα-helixtrans-79.2-3.8178.443.70000114.1S356 S358S356-S360 PolarHBondContact O-N 3.07Å; S356-S360 PolarHBondContact O-OG 3.3Å; S358-S360 PolarHBondContact O-N 3.27Å
361R38.9Very low40.5Very low209 Ų209113.1 Ų113.179%0.78963%0.63SS**Hα-helixtrans-101.9-18.1173.7-115177.1162.2151.3-3.7114S358 N359S358-R361 PolarHBondContact O-N 3Å; N359-R361 PolarHBondContact O-N 3.12Å
362E38.5Very low40.2Very low150 Ų150118.5 Ų118.570%0.70166%0.656SS**Hα-helixtrans-90.6-24.1174.8-77.4-173.1131.200113.3M364E362-M364 VanDerWaalsContact C-N 3.31Å; E362-M364 PolarHBondContact O-N 3.46Å
363E37.9Very low40.1Very low166 Ų166127.4 Ų127.478%0.77670%0.696SS**THydrogen-bonded Turntrans-80-5.6175.3-76.9-171.9145.900114.6N359N359-E363 PolarHBondContact O-N 2.71Å
364M37.8Very low39.8Very low161 Ų161131.5 Ų131.579%0.79371%0.712SS**THydrogen-bonded Turntrans-99.43.3179.8-140.7174.5-178.100114E362E362-M364 VanDerWaalsContact C-N 3.31Å; E362-M364 PolarHBondContact O-N 3.46Å
365L39.1Very low39.7Very low159 Ų159132.7 Ų132.783%0.83272%0.719SS**SBendtrans-120.311179-73.5171.2000113.7
366A38Very low39.6Very low87 Ų87135.8 Ų135.872%0.71974%0.737SS**SBendtrans-115.619.1-175.200000114.5
367S40.3Very low39.6Very low92 Ų92139.5 Ų139.564%0.64375%0.75SS**  trans-136.470.2-179.765.40000111.7
368D38.6Very low39.5Very low173 Ų173143.9 Ų143.993%0.92577%0.767SS**  trans-159.266.1163.8-95.8-22.5000108.8
369S37.8Very low39.3Very low104 Ų104149.6 Ų149.673%0.72779%0.791SS**  trans-155.279.316664.80000109.2
370D38Very low39.3Very low158 Ų158152.8 Ų152.885%0.84581%0.808SS**  trans-172.9104.8158.5-88.3-29000106.9
371F45.1Very low39.2Very low213 Ų213158.7 Ų158.793%0.93483%0.829SS**  trans-172.8118.2139.2-113.7-80.7000109.9
372D38Very low39.2Very low150 Ų150154.5 Ų154.580%0.80283%0.832SS**  trans-60.9133.8173.5-63.7-73.9000113.4
373D41.6Very low39.3Very low241 Ų241154.9 Ų154.9100%1.28984%0.844SS**  172.80124.1-101.7-27.5000111.5

Retrieved 373 of 373 residues in 403 ms (Link to these results)

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