A0A077Z1H1_TRITR Loading...

UFD1 domain containing protein

AlphaFold DB , UniProt , Accession A0A077Z1H1, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 281 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
1M37.3Very low73.4Confident235 Ų235108.1 Ų108.1100%1.15855%0.546SS*.  0103.10-72.6-155.5-133.100106.1I3M1-I3 PolarHBondContact O-N 3.13Å; M1-I3 VanDerWaalsContact O-N 3.13Å
2D49.5Very low75.1Confident164 Ų164110.7 Ų110.788%0.87754%0.544SS*.  trans-67.4110.9176.9-65.4-49.3000107.9P4D2-P4 VanDerWaalsContact O-CD 3.3Å; D2-P4 WeakPolarHBondContact O-CD 3.3Å; D2-P4 VanDerWaalsContact O-N 3.15Å
3I56.6Low76.6Confident152 Ų152102.2 Ų102.278%0.77950%0.503SS*.PPolyproline II helixtrans-62.6116.6174.1-59.5161.5000105.3M1 R5M1-I3 PolarHBondContact O-N 3.13Å; M1-I3 VanDerWaalsContact O-N 3.13Å; I3-R5 PolarHBondContact O-N 3.08Å; I3-R5 VanDerWaalsContact O-N 3.08Å
4P62.4Low77.8Confident95 Ų9599.5 Ų99.562%0.61749%0.485SS*.PPolyproline II helixtrans-58.2122.4-179.921.2-29.2000107.5D2 L50D2-P4 VanDerWaalsContact O-CD 3.3Å; D2-P4 WeakPolarHBondContact O-CD 3.3Å; D2-P4 VanDerWaalsContact O-N 3.15Å; P4-L50 HydrophobicContact CB-CD2 4Å
5R65.5Low78.7Confident218 Ų21893.1 Ų93.182%0.82345%0.454SS*.PPolyproline II helixtrans-59.6130.2179.5-69.2-175.9-171.2177.33.2107.4I3 Y7I3-R5 PolarHBondContact O-N 3.08Å; I3-R5 VanDerWaalsContact O-N 3.08Å; R5-Y7 PolarHBondContact O-N 3.38Å
6P79.8Confident79.4Confident79 Ų7987.3 Ų87.351%0.51343%0.426SS..PPolyproline II helixtrans-57.7144.5175.925.3-33.1000108.8I8P6-I8 HydrophobicContact CG-CD1 4.09Å; P6-I8 HydrophobicContact CG-CG1 4.37Å; P6-I8 PolarHBondContact O-N 3.41Å; P6-I8 VanDerWaalsContact O-N 3.14Å
7Y85.4Confident79.9Confident11 Ų1185.8 Ų85.84%0.04343%0.431CS..PPolyproline II helixtrans-61.1118.4173.1177.9-100.1000109R5 A9 Y11 A43 W46 L47 F58 E107 L108R5-Y7 PolarHBondContact O-N 3.38Å; Y7-A9 HydrophobicContact CE1-CB 4.04Å; Y7-A9 HydrophobicContact CE2-CB 4.38Å; Y7-Y11 PolarHBondContact OH-OH 3.22Å; Y7-A43 HydrophobicContact CE1-CB 4.48Å; Y7-A43 WeakPolarHBondContact OH-CA 3.46Å; Y7-A43 VanDerWaalsContact OH-CB 3.25Å; Y7-A43 WeakPolarHBondContact OH-CB 3.06Å; Y7-W46 HydrophobicContact CD2-CB 3.59Å; Y7-W46 HydrophobicContact CD2-CD2 4.49Å; Y7-W46 HydrophobicContact CD2-CG 4.11Å; Y7-W46 HydrophobicContact CE2-CB 3.5Å; Y7-W46 VanDerWaalsContact CE2-CB 3.5Å; Y7-W46 HydrophobicContact CE2-CD2 4.46Å; Y7-W46 AromaticContact CE2-CG 3.83Å; Y7-W46 HydrophobicContact CE2-CG 3.83Å; Y7-L47 HydrophobicContact CG-CD2 4.4Å; Y7-F58 HydrophobicContact CD1-CE1 4.06Å; Y7-F58 HydrophobicContact CE1-CE1 4.31Å; Y7-E107 CarbonylContact O-C 3.55Å; Y7-E107 WeakPolarHBondContact O-CA 3.38Å; Y7-L108 PolarHBondContact O-N 3.26Å
8I91Very high80.1Confident85 Ų8586.7 Ų86.744%0.43644%0.435SS..EExtended strand (participates in β ladder)trans-135.5119.1177.7-62.3176.3000106.8P6 K105 I106 E107P6-I8 HydrophobicContact CG-CD1 4.09Å; P6-I8 HydrophobicContact CG-CG1 4.37Å; P6-I8 PolarHBondContact O-N 3.41Å; P6-I8 VanDerWaalsContact O-N 3.14Å; I8-K105 HydrophobicContact CG2-CD 4.32Å; I8-K105 HydrophobicContact CG2-CG 4.12Å; I8-I106 WeakPolarHBondContact CA-O 3.19Å; I8-E107 HydrophobicContact CG1-CB 4.39Å; I8-E107 HydrophobicContact CG1-CG 4.05Å; I8-E107 HydrophobicContact CG2-CG 4.35Å
9A92.4Very high80.2Confident20 Ų2082.5 Ų82.517%0.16541%0.414CS..EExtended strand (participates in β ladder)trans-138.4155.8177.700000110.7Y7 Y11 I106Y7-A9 HydrophobicContact CE1-CB 4.04Å; Y7-A9 HydrophobicContact CE2-CB 4.38Å; A9-Y11 HydrophobicContact CB-CD2 4.19Å; A9-Y11 HydrophobicContact CB-CE2 3.53Å; A9-I106 PolarHBondContact N-O 2.92Å; A9-I106 PolarHBondContact O-N 2.83Å
10E93.8Very high79.8Confident118 Ų11884.7 Ų84.755%0.55143%0.432SS*.EExtended strand (participates in β ladder)trans-111.7130.1175.4-60.9-178.2175.500108.7L63 A104E10-L63 HydrophobicContact CB-CD1 4.42Å; E10-L63 HydrophobicContact CG-CD1 3.94Å; E10-A104 WeakPolarHBondContact CA-O 3.42Å
11Y94.2Very high79.5Confident12 Ų1284.7 Ų84.75%0.04743%0.429CS..EExtended strand (participates in β ladder)trans-129.5147.8-178.4-69.6-71.2000111.2Y7 A9 L39 P40 C86 L103 A104 I106Y7-Y11 PolarHBondContact OH-OH 3.22Å; A9-Y11 HydrophobicContact CB-CD2 4.19Å; A9-Y11 HydrophobicContact CB-CE2 3.53Å; Y11-L39 HydrophobicContact CD2-CD2 4.42Å; Y11-L39 HydrophobicContact CE2-CD2 4.31Å; Y11-P40 HydrophobicContact CD1-CG 4.22Å; Y11-P40 HydrophobicContact CE1-CG 3.36Å; Y11-C86 HydrophobicContact CG-CB 4.16Å; Y11-L103 WeakPolarHBondContact O-CA 3.47Å; Y11-A104 PolarHBondContact N-O 3.04Å; Y11-A104 PolarHBondContact O-N 2.8Å; Y11-I106 HydrophobicContact CD2-CB 4.28Å; Y11-I106 HydrophobicContact CD2-CD1 3.6Å; Y11-I106 HydrophobicContact CD2-CG1 3.97Å; Y11-I106 HydrophobicContact CE2-CD1 4.36Å; Y11-I106 HydrophobicContact CG-CD1 4.39Å
12R94Very high81.1Confident139 Ų13974.4 Ų74.453%0.52538%0.379SS..EExtended strand (participates in β ladder)trans-77.1121.2166.8-67.9-175.7178.8-162.4-1.1109Y14 G84 L85 C86 L103R12-Y14 HydrophobicContact CB-CE2 3.88Å; R12-G84 PolarHBondContact N-O 2.92Å; R12-L85 HydrophobicContact CB-CD2 4.03Å; R12-C86 PolarHBondContact O-N 3.34Å; R12-L103 HydrophobicContact CG-CD2 3.72Å
13C93.8Very high81.9Confident0 Ų073.8 Ų73.80%038%0.376CS..EExtended strand (participates in β ladder)trans-95.1128.6-174.5-62.90000111C86 L88 L98 G101 G102 A104C13-C86 CarbonylContact C-O 3.51Å; C13-C86 VanDerWaalsContact CA-O 3.31Å; C13-C86 WeakPolarHBondContact CA-O 3.2Å; C13-L88 HydrophobicContact CB-CD1 3.66Å; C13-L88 HydrophobicContact CB-CG 4.23Å; C13-L98 HydrophobicContact CB-CD1 4.34Å; C13-G101 PolarHBondContact O-N 3.26Å; C13-G102 PolarHBondContact N-O 3.49Å; C13-A104 WeakPolarHBondContact SG-CB 3.33Å
14Y93.4Very high83Confident65 Ų6570 Ų7026%0.25536%0.363SS..EExtended strand (participates in β ladder)trans-123.3154.1174.9-70.8-87.6000110.5R12 L85 C86 Y87 L88 E100R12-Y14 HydrophobicContact CB-CE2 3.88Å; Y14-L85 HydrophobicContact CD2-CD2 4.13Å; Y14-L85 HydrophobicContact CE2-CD2 3.65Å; Y14-C86 PolarHBondContact N-O 2.86Å; Y14-Y87 WeakPolarHBondContact O-CA 3.18Å; Y14-L88 PolarHBondContact O-N 3.03Å; Y14-E100 HydrophobicContact CD1-CB 4.13Å; Y14-E100 HydrophobicContact CE1-CB 4.48Å
15S91.9Very high84Confident4 Ų468.5 Ų68.53%0.02836%0.359CS..EExtended strand (participates in β ladder)trans-66.4138.6171.81770000109.3A17 M18 Y87 M93S15-A17 PolarHBondContact O-N 3.26Å; S15-A17 PolarHBondContact OG-N 3.24Å; S15-M18 WeakPolarHBondContact O-CB 3.47Å; S15-M18 PolarHBondContact O-N 3.09Å; S15-Y87 WeakPolarHBondContact O-CD1 3.38Å; S15-M93 WeakPolarHBondContact CA-SD 3.49Å; S15-M93 PolarHBondContact N-SD 3.42Å
16V90Very high84.8Confident0 Ų065.6 Ų65.60%035%0.354CS..G310 helixtrans-53-25.3172.1169.20000111.4M18 C19 L22 L28 I31 L88V16-M18 PolarHBondContact O-N 2.9Å; V16-C19 WeakPolarHBondContact O-CB 3.34Å; V16-C19 PolarHBondContact O-N 3.09Å; V16-C19 VanDerWaalsContact O-N 3.07Å; V16-L22 HydrophobicContact CG1-CD1 3.89Å; V16-L28 HydrophobicContact CG1-CD1 3.55Å; V16-L28 HydrophobicContact CG1-CG 4.44Å; V16-L28 WeakPolarHBondContact O-CD1 3.36Å; V16-I31 HydrophobicContact CB-CG2 4.37Å; V16-I31 HydrophobicContact CG1-CB 4.04Å; V16-I31 HydrophobicContact CG1-CG2 3.78Å; V16-I31 HydrophobicContact CG2-CG2 3.75Å; V16-L88 WeakPolarHBondContact CG2-O 3.39Å; V16-L88 PolarHBondContact N-O 3.49Å
17A86.8Confident85Confident62 Ų6266.4 Ų66.451%0.51235%0.347SS..G310 helixtrans-60.9-25.1173.200000115S15 C19S15-A17 PolarHBondContact O-N 3.26Å; S15-A17 PolarHBondContact OG-N 3.24Å; A17-C19 VanDerWaalsContact C-N 3.26Å
18M85Confident85.1Confident102 Ų10268.2 Ų68.250%0.50236%0.357SS..G310 helixtrans-85.61177.2-70.2-69.7-169.200113S15 V16 T20 Y87 E100S15-M18 WeakPolarHBondContact O-CB 3.47Å; S15-M18 PolarHBondContact O-N 3.09Å; V16-M18 PolarHBondContact O-N 2.9Å; M18-T20 PolarHBondContact O-N 3.32Å; M18-T20 VanDerWaalsContact O-N 3.13Å; M18-Y87 HydrophobicContact CB-CE1 4.32Å; M18-E100 WeakPolarHBondContact CE-OE2 3.45Å
19C81.1Confident84.8Confident6 Ų670 Ų704%0.04136%0.358CS..  trans-81.394-172.6-161.10000110.2V16 A17 F21 L22 Y87V16-C19 WeakPolarHBondContact O-CB 3.34Å; V16-C19 PolarHBondContact O-N 3.09Å; V16-C19 VanDerWaalsContact O-N 3.07Å; A17-C19 VanDerWaalsContact C-N 3.26Å; C19-F21 VanDerWaalsContact C-N 3.27Å; C19-F21 PolarHBondContact O-N 3.08Å; C19-F21 VanDerWaalsContact SG-CD1 3.58Å; C19-F21 WeakPolarHBondContact SG-CE1 2.93Å; C19-F21 WeakPolarHBondContact SG-CZ 3.46Å; C19-L22 HydrophobicContact CB-CD1 3.92Å; C19-L22 HydrophobicContact CB-CG 4.31Å; C19-L22 PolarHBondContact O-N 3.16Å; C19-Y87 HydrophobicContact CB-CD1 3.83Å; C19-Y87 HydrophobicContact CB-CE1 3.8Å; C19-Y87 HydrophobicContact CB-CG 4.46Å
20T72.6Confident84.5Confident126 Ų12674.9 Ų74.977%0.77338%0.378SS*.THydrogen-bonded Turntrans-66.8-21.8-169.554.20000114.8M18 L22M18-T20 PolarHBondContact O-N 3.32Å; M18-T20 VanDerWaalsContact O-N 3.13Å; T20-L22 VanDerWaalsContact C-N 3.33Å
21F73.9Confident84.2Confident85 Ų8569.6 Ų69.637%0.37335%0.354SS..THydrogen-bonded Turntrans-80.8-13.1-179.867.4-98.7000113.6C19 N23 L38 Q81C19-F21 VanDerWaalsContact C-N 3.27Å; C19-F21 PolarHBondContact O-N 3.08Å; C19-F21 VanDerWaalsContact SG-CD1 3.58Å; C19-F21 WeakPolarHBondContact SG-CE1 2.93Å; C19-F21 WeakPolarHBondContact SG-CZ 3.46Å; F21-N23 VanDerWaalsContact C-N 3.34Å; F21-N23 PolarHBondContact O-N 2.92Å; F21-L38 HydrophobicContact CZ-CD1 4.04Å; F21-Q81 VanDerWaalsContact CE1-OE1 3.26Å
22L71.1Confident83.9Confident20 Ų2071.4 Ų71.411%0.10536%0.364CS..  trans-8183.1176.9-66.6176.8000109.5V16 C19 T20 S24 R27 L28 I31V16-L22 HydrophobicContact CG1-CD1 3.89Å; C19-L22 HydrophobicContact CB-CD1 3.92Å; C19-L22 HydrophobicContact CB-CG 4.31Å; C19-L22 PolarHBondContact O-N 3.16Å; T20-L22 VanDerWaalsContact C-N 3.33Å; L22-S24 PolarHBondContact O-N 3.01Å; L22-R27 HydrophobicContact CD2-CG 4.09Å; L22-L28 HydrophobicContact CB-CD1 4.39Å; L22-L28 HydrophobicContact CD1-CD1 3.85Å; L22-I31 HydrophobicContact CD1-CD1 3.71Å; L22-I31 HydrophobicContact CD2-CD1 4.04Å
23N65.7Low83.5Confident151 Ų15165.6 Ų65.681%0.80734%0.344SS*.  trans-67.7-19.6-178.5-69-20.4000113.9F21F21-N23 VanDerWaalsContact C-N 3.34Å; F21-N23 PolarHBondContact O-N 2.92Å
24S80Confident83.2Confident72 Ų7265.8 Ų65.850%0.50335%0.346SS..  trans-102.5114.8-176.1-60.50000110.8L22 E26 R27 L28L22-S24 PolarHBondContact O-N 3.01Å; S24-E26 PolarHBondContact O-N 3.34Å; S24-E26 VanDerWaalsContact O-N 3.17Å; S24-R27 PolarHBondContact O-N 3.34Å; S24-R27 VanDerWaalsContact O-N 3.09Å; S24-L28 PolarHBondContact O-N 3.06Å; S24-L28 VanDerWaalsContact O-N 3.09Å
25A82.4Confident82.9Confident64 Ų6462.8 Ų62.853%0.52934%0.335SS..Hα-helixtrans-56.6-30.4176.300000113L28 R29A25-L28 WeakPolarHBondContact O-CB 3.41Å; A25-L28 PolarHBondContact O-N 3.22Å; A25-R29 VanDerWaalsContact O-CG 3.31Å; A25-R29 WeakPolarHBondContact O-CG 3.49Å; A25-R29 PolarHBondContact O-N 3.14Å; A25-R29 VanDerWaalsContact O-N 3.1Å
26E82.5Confident82.9Confident156 Ų15665.5 Ų65.573%0.72935%0.346SS*.Hα-helixtrans-64.3-48.4175.4-65.9178.3171.600111.6S24 L28 R29 E30S24-E26 PolarHBondContact O-N 3.34Å; S24-E26 VanDerWaalsContact O-N 3.17Å; E26-L28 VanDerWaalsContact C-N 3.29Å; E26-L28 PolarHBondContact O-N 3.13Å; E26-R29 WeakPolarHBondContact O-CB 3.25Å; E26-R29 PolarHBondContact O-N 2.94Å; E26-R29 VanDerWaalsContact O-N 3.12Å; E26-E30 WeakPolarHBondContact O-CG 3.07Å; E26-E30 PolarHBondContact O-N 3.07Å
27R84.4Confident83Confident96 Ų9665.5 Ų65.536%0.36235%0.346SS..Hα-helixtrans-62.2-39.1176.9-173.3176.5173.8122.9-1.7111.5L22 S24 R29 E30 I31 E78L22-R27 HydrophobicContact CD2-CG 4.09Å; S24-R27 PolarHBondContact O-N 3.34Å; S24-R27 VanDerWaalsContact O-N 3.09Å; R27-R29 VanDerWaalsContact C-N 3.32Å; R27-R29 PolarHBondContact O-N 2.62Å; R27-E30 PolarHBondContact O-N 3.26Å; R27-I31 HydrophobicContact CG-CD1 4.03Å; R27-I31 VanDerWaalsContact O-CG1 3.25Å; R27-I31 WeakPolarHBondContact O-CG1 3.34Å; R27-I31 PolarHBondContact O-N 3.38Å; R27-E78 IonicContact CZ-OE1 3.01Å; R27-E78 IonicContact NH2-OE1 2.73Å; R27-E78 PolarHBondContact NH2-OE1 2.96Å; R27-E78 IonicContact NH2-OE2 3.22Å; R27-E78 PolarHBondContact NH2-OE2 2.88Å
28L86.1Confident83.3Confident49 Ų4962.6 Ų62.626%0.25732%0.322SS..Hα-helixtrans-57.8-46174.5-170.477.6000111.3V16 L22 S24 A25 E26 I31 D32V16-L28 HydrophobicContact CG1-CD1 3.55Å; V16-L28 HydrophobicContact CG1-CG 4.44Å; V16-L28 WeakPolarHBondContact O-CD1 3.36Å; L22-L28 HydrophobicContact CB-CD1 4.39Å; L22-L28 HydrophobicContact CD1-CD1 3.85Å; S24-L28 PolarHBondContact O-N 3.06Å; S24-L28 VanDerWaalsContact O-N 3.09Å; A25-L28 WeakPolarHBondContact O-CB 3.41Å; A25-L28 PolarHBondContact O-N 3.22Å; E26-L28 VanDerWaalsContact C-N 3.29Å; E26-L28 PolarHBondContact O-N 3.13Å; L28-I31 PolarHBondContact O-N 3.11Å; L28-D32 VanDerWaalsContact O-CB 3.28Å; L28-D32 WeakPolarHBondContact O-CB 3.2Å; L28-D32 PolarHBondContact O-N 3.36Å
29R85.4Confident83.7Confident122 Ų12257.7 Ų57.746%0.4630%0.298SS..Hα-helixtrans-66.6-40.1178.6-70174.5-172-156.95.3112.7A25 E26 R27 I31 D32 C33 E155A25-R29 VanDerWaalsContact O-CG 3.31Å; A25-R29 WeakPolarHBondContact O-CG 3.49Å; A25-R29 PolarHBondContact O-N 3.14Å; A25-R29 VanDerWaalsContact O-N 3.1Å; E26-R29 WeakPolarHBondContact O-CB 3.25Å; E26-R29 PolarHBondContact O-N 2.94Å; E26-R29 VanDerWaalsContact O-N 3.12Å; R27-R29 VanDerWaalsContact C-N 3.32Å; R27-R29 PolarHBondContact O-N 2.62Å; R29-I31 VanDerWaalsContact C-N 3.3Å; R29-I31 PolarHBondContact O-N 3Å; R29-D32 PolarHBondContact O-N 3.48Å; R29-C33 VanDerWaalsContact O-CB 3.3Å; R29-C33 WeakPolarHBondContact O-CB 3.39Å; R29-C33 PolarHBondContact O-N 3.06Å; R29-C33 PolarHBondContact O-SG 3.29Å; R29-E155 IonicContact NH1-OE1 2.77Å
30E85.7Confident84.3Confident124 Ų12457.4 Ų57.458%0.57930%0.296SS*.Hα-helixtrans-61.8-38.9176.4-73.1-179.6175.600112.3E26 R27 G34E26-E30 WeakPolarHBondContact O-CG 3.07Å; E26-E30 PolarHBondContact O-N 3.07Å; R27-E30 PolarHBondContact O-N 3.26Å; E30-G34 PolarHBondContact O-N 2.52Å; E30-G34 VanDerWaalsContact O-N 3.17Å
31I88Confident85.3Confident7 Ų756.1 Ų56.14%0.03628%0.281CS..Hα-helixtrans-73.5-44.9176.6-60.1167.7000110V16 L22 R27 L28 R29 C33 G34 L77 P89V16-I31 HydrophobicContact CB-CG2 4.37Å; V16-I31 HydrophobicContact CG1-CB 4.04Å; V16-I31 HydrophobicContact CG1-CG2 3.78Å; V16-I31 HydrophobicContact CG2-CG2 3.75Å; L22-I31 HydrophobicContact CD1-CD1 3.71Å; L22-I31 HydrophobicContact CD2-CD1 4.04Å; R27-I31 HydrophobicContact CG-CD1 4.03Å; R27-I31 VanDerWaalsContact O-CG1 3.25Å; R27-I31 WeakPolarHBondContact O-CG1 3.34Å; R27-I31 PolarHBondContact O-N 3.38Å; L28-I31 PolarHBondContact O-N 3.11Å; R29-I31 VanDerWaalsContact C-N 3.3Å; R29-I31 PolarHBondContact O-N 3Å; I31-C33 VanDerWaalsContact C-N 3.3Å; I31-C33 PolarHBondContact O-N 2.71Å; I31-G34 PolarHBondContact O-N 3.49Å; I31-L77 HydrophobicContact CD1-CD2 3.93Å; I31-L77 HydrophobicContact CG1-CD2 3.62Å; I31-P89 WeakPolarHBondContact O-CG 3.5Å
32D88.5Confident86.2Confident50 Ų5053.7 Ų53.727%0.26728%0.275SS..Hα-helixtrans-65.9-31.3-178.7-165.548.6000113L28 R29 H90L28-D32 VanDerWaalsContact O-CB 3.28Å; L28-D32 WeakPolarHBondContact O-CB 3.2Å; L28-D32 PolarHBondContact O-N 3.36Å; R29-D32 PolarHBondContact O-N 3.48Å; D32-H90 VanDerWaalsContact OD1-CB 3.23Å; D32-H90 WeakPolarHBondContact OD1-CB 3.48Å; D32-H90 PolarHBondContact OD1-N 2.8Å
33C85.9Confident87.1Confident17 Ų1752.7 Ų52.712%0.11527%0.27CS..THydrogen-bonded Turntrans-94.36.2174-60.90000113.3R29 I31 F143 E155R29-C33 VanDerWaalsContact O-CB 3.3Å; R29-C33 WeakPolarHBondContact O-CB 3.39Å; R29-C33 PolarHBondContact O-N 3.06Å; R29-C33 PolarHBondContact O-SG 3.29Å; I31-C33 VanDerWaalsContact C-N 3.3Å; I31-C33 PolarHBondContact O-N 2.71Å; C33-F143 WeakPolarHBondContact O-CE2 3.32Å; C33-F143 WeakPolarHBondContact O-CZ 3.39Å; C33-E155 HydrophobicContact CB-CB 4.12Å; C33-E155 VanDerWaalsContact SG-CB 3.53Å
34G87.7Confident88.3Confident3 Ų348.3 Ų48.33%0.03125%0.246CC..SBendtrans-100.5172.9178.500000112.8E30 I31 W91E30-G34 PolarHBondContact O-N 2.52Å; E30-G34 VanDerWaalsContact O-N 3.17Å; I31-G34 PolarHBondContact O-N 3.49Å; G34-W91 PolarHBondContact O-NE1 2.91Å
35G87Confident88.8Confident3 Ų348.3 Ų48.33%0.03124%0.24CC..BIsolated β-bridgetrans-105.630.6175.500000114G75 H142G35-G75 PolarHBondContact O-N 3.47Å; G35-G75 VanDerWaalsContact O-N 3.14Å; G35-H142 PolarHBondContact N-O 3.12Å; G35-H142 VanDerWaalsContact N-O 3.08Å
36K90.8Very high89.1Confident60 Ų6052.5 Ų52.526%0.26124%0.242SC..EExtended strand (participates in β ladder)trans-123.7139.3-174.4-55.2177.6-178179.60111G75 L77K36-G75 CarbonylContact C-O 3.55Å; K36-G75 VanDerWaalsContact CA-O 3.29Å; K36-G75 WeakPolarHBondContact CA-O 3.37Å; K36-L77 HydrophobicContact CB-CB 3.66Å; K36-L77 HydrophobicContact CD-CB 4.14Å; K36-L77 HydrophobicContact CD-CD1 3.76Å; K36-L77 HydrophobicContact CD-CG 4.49Å
37V93.3Very high89.5Confident0 Ų045 Ų450%021%0.208CC..EExtended strand (participates in β ladder)trans-109.2161.8-178.3-56.30000111.2L39 I60 C74 G75 L77 L88 L92V37-L39 HydrophobicContact CG2-CD2 4.5Å; V37-L39 HydrophobicContact CG2-CG 4.21Å; V37-I60 HydrophobicContact CG1-CD1 4.09Å; V37-C74 HydrophobicContact CG1-CB 3.91Å; V37-C74 VanDerWaalsContact CG1-SG 3.56Å; V37-G75 WeakPolarHBondContact CG2-O 3.43Å; V37-G75 PolarHBondContact N-O 2.86Å; V37-L77 PolarHBondContact O-N 2.97Å; V37-L88 HydrophobicContact CB-CD2 3.85Å; V37-L88 HydrophobicContact CG1-CD2 3.34Å; V37-L92 HydrophobicContact CG1-CD1 4.47Å
38L92.9Very high89.6Confident1 Ų144 Ų441%0.00521%0.212CC..EExtended strand (participates in β ladder)trans-107.8124.7176.2-54.2170.1000109.2F21 L77 E78 Q81 Y87F21-L38 HydrophobicContact CZ-CD1 4.04Å; L38-L77 HydrophobicContact CD2-CB 4.01Å; L38-L77 HydrophobicContact CD2-CD2 4.17Å; L38-L77 HydrophobicContact CD2-CG 4.34Å; L38-E78 HydrophobicContact CD2-CB 3.9Å; L38-Q81 HydrophobicContact CB-CG 3.53Å; L38-Y87 PolarHBondContact N-O 3.28Å; L38-Y87 VanDerWaalsContact N-O 3.1Å; L38-Y87 PolarHBondContact O-N 3.01Å; L38-Y87 VanDerWaalsContact O-N 3.16Å
39L93.2Very high89.8Confident0 Ų050 Ų500%023%0.231CC..EExtended strand (participates in β ladder)trans-115.2164.5-177.9-70.2177.6000111Y11 V37 A43 F58 V76 E78 F79 H80 Q81 C86 I106Y11-L39 HydrophobicContact CD2-CD2 4.42Å; Y11-L39 HydrophobicContact CE2-CD2 4.31Å; V37-L39 HydrophobicContact CG2-CD2 4.5Å; V37-L39 HydrophobicContact CG2-CG 4.21Å; L39-A43 HydrophobicContact CB-CB 4.17Å; L39-A43 HydrophobicContact CD1-CB 4.37Å; L39-F58 HydrophobicContact CD1-CD2 4.1Å; L39-F58 HydrophobicContact CD1-CE1 4.41Å; L39-F58 HydrophobicContact CD1-CE2 3.71Å; L39-F58 HydrophobicContact CD1-CZ 3.88Å; L39-V76 HydrophobicContact CB-CG2 4.41Å; L39-V76 HydrophobicContact CD1-CB 4.4Å; L39-V76 HydrophobicContact CD1-CG2 4.17Å; L39-V76 HydrophobicContact CG-CG2 4.36Å; L39-E78 PolarHBondContact N-O 2.99Å; L39-F79 HydrophobicContact CB-CD1 3.72Å; L39-F79 HydrophobicContact CB-CE1 3.93Å; L39-F79 HydrophobicContact CD1-CE1 4.01Å; L39-F79 CarbonylContact O-C 3.54Å; L39-F79 WeakPolarHBondContact O-CA 3.14Å; L39-H80 PolarHBondContact O-N 3.09Å; L39-Q81 WeakPolarHBondContact O-CB 3.24Å; L39-Q81 WeakPolarHBondContact O-CG 3.48Å; L39-Q81 PolarHBondContact O-N 3.02Å; L39-Q81 VanDerWaalsContact O-N 3.1Å; L39-C86 HydrophobicContact CD2-CB 4.29Å; L39-I106 HydrophobicContact CD2-CD1 3.66Å
40P93.6Very high89.9Confident0 Ų046.7 Ų46.70%022%0.222CC..EExtended strand (participates in β ladder)trans-79.5161.9174.528.2-30.7000112.4Y11 S42 A43 F79 Q81Y11-P40 HydrophobicContact CD1-CG 4.22Å; Y11-P40 HydrophobicContact CE1-CG 3.36Å; P40-S42 PolarHBondContact O-N 2.81Å; P40-A43 WeakPolarHBondContact O-CB 3.44Å; P40-A43 PolarHBondContact O-N 3.31Å; P40-A43 VanDerWaalsContact O-N 3.07Å; P40-F79 CarbonylContact C-O 3.51Å; P40-F79 WeakPolarHBondContact O-CD1 3.45Å; P40-Q81 WeakPolarHBondContact CA-O 3.41Å; P40-Q81 HydrophobicContact CB-CB 4.43Å; P40-Q81 WeakPolarHBondContact CB-O 3.15Å
41H92.5Very high89.9Confident99 Ų9947.7 Ų47.746%0.45823%0.232SC..Hα-helixtrans-60-32179.6-73.794000112.8A43 L44 D45 F79 H80H41-A43 PolarHBondContact O-N 3.15Å; H41-L44 WeakPolarHBondContact O-CB 3.43Å; H41-L44 PolarHBondContact O-N 3.38Å; H41-D45 PolarHBondContact O-N 2.97Å; H41-D45 VanDerWaalsContact O-N 3.13Å; H41-F79 WeakPolarHBondContact CA-O 3.34Å; H41-F79 PolarHBondContact CD2-O 3.1Å; H41-F79 VanDerWaalsContact CD2-O 3.3Å; H41-F79 PolarHBondContact CE1-O 2.86Å; H41-F79 PolarHBondContact N-O 3.14Å; H41-F79 VanDerWaalsContact N-O 3.15Å; H41-F79 PolarHBondContact ND1-O 3.16Å; H41-F79 PolarHBondContact NE2-O 3.06Å; H41-H80 AromaticContact CE1-CD2 3.62Å; H41-H80 AromaticContact NE2-CD2 3.5Å; H41-H80 PolarHBondContact NE2-CD2 2.88Å
42S92.6Very high89.7Confident33 Ų3348.8 Ų48.823%0.23124%0.239CC..Hα-helixtrans-54.5-39.8173.959.60000112.8P40 L44 D45 W46 E83P40-S42 PolarHBondContact O-N 2.81Å; S42-L44 VanDerWaalsContact C-N 3.28Å; S42-L44 PolarHBondContact O-N 3.5Å; S42-D45 PolarHBondContact O-N 3.3Å; S42-W46 VanDerWaalsContact O-CD1 3.26Å; S42-W46 PolarHBondContact O-N 3.06Å; S42-E83 WeakPolarHBondContact CB-OE1 3.07Å; S42-E83 WeakPolarHBondContact CB-OE2 3.38Å; S42-E83 PolarHBondContact N-OE1 2.84Å; S42-E83 VanDerWaalsContact N-OE1 3.11Å; S42-E83 PolarHBondContact OG-OE1 2.85Å; S42-E83 PolarHBondContact OG-OE2 3.24Å
43A91.4Very high89.4Confident0 Ų051 Ų510%026%0.258CS..Hα-helixtrans-60.5-41.117800000111Y7 L39 P40 H41 W46 L47 F79Y7-A43 HydrophobicContact CE1-CB 4.48Å; Y7-A43 WeakPolarHBondContact OH-CA 3.46Å; Y7-A43 VanDerWaalsContact OH-CB 3.25Å; Y7-A43 WeakPolarHBondContact OH-CB 3.06Å; L39-A43 HydrophobicContact CB-CB 4.17Å; L39-A43 HydrophobicContact CD1-CB 4.37Å; P40-A43 WeakPolarHBondContact O-CB 3.44Å; P40-A43 PolarHBondContact O-N 3.31Å; P40-A43 VanDerWaalsContact O-N 3.07Å; H41-A43 PolarHBondContact O-N 3.15Å; A43-W46 PolarHBondContact O-N 3.1Å; A43-L47 WeakPolarHBondContact O-CG 3.36Å; A43-L47 PolarHBondContact O-N 2.86Å; A43-F79 HydrophobicContact CB-CD1 4.08Å; A43-F79 HydrophobicContact CB-CE1 3.92Å
44L90.7Very high89.2Confident59 Ų5957.5 Ų57.531%0.30928%0.281SS..Hα-helixtrans-63.8-44.7176.7-176.561000111.9H41 S42 W46 L47 T48 M56 F79H41-L44 WeakPolarHBondContact O-CB 3.43Å; H41-L44 PolarHBondContact O-N 3.38Å; S42-L44 VanDerWaalsContact C-N 3.28Å; S42-L44 PolarHBondContact O-N 3.5Å; L44-W46 VanDerWaalsContact C-N 3.26Å; L44-W46 PolarHBondContact O-N 3.17Å; L44-L47 PolarHBondContact O-N 3.44Å; L44-L47 VanDerWaalsContact O-N 3.16Å; L44-T48 HydrophobicContact CD1-CG2 4.24Å; L44-T48 HydrophobicContact CG-CG2 4.38Å; L44-T48 WeakPolarHBondContact O-CG2 3.37Å; L44-T48 PolarHBondContact O-N 3.37Å; L44-T48 PolarHBondContact O-OG1 3.1Å; L44-M56 HydrophobicContact CD1-CE 4.42Å; L44-F79 HydrophobicContact CB-CB 4.07Å; L44-F79 HydrophobicContact CB-CD1 3.79Å; L44-F79 HydrophobicContact CB-CD2 4Å; L44-F79 HydrophobicContact CB-CE1 4.13Å; L44-F79 HydrophobicContact CB-CE2 4.34Å; L44-F79 HydrophobicContact CB-CG 3.7Å; L44-F79 HydrophobicContact CB-CZ 4.38Å; L44-F79 HydrophobicContact CD1-CD2 3.91Å; L44-F79 HydrophobicContact CD1-CE2 3.73Å; L44-F79 HydrophobicContact CD1-CG 4.48Å; L44-F79 HydrophobicContact CD1-CZ 4.15Å; L44-F79 HydrophobicContact CD2-CB 4.31Å; L44-F79 HydrophobicContact CD2-CD2 4.1Å; L44-F79 HydrophobicContact CD2-CG 4.31Å; L44-F79 HydrophobicContact CG-CD2 4.22Å; L44-F79 HydrophobicContact CG-CE2 4.48Å; L44-F79 HydrophobicContact CG-CG 4.38Å
45D90.3Very high89.2Confident72 Ų7259.8 Ų59.839%0.38530%0.296SS..Hα-helixtrans-61.2-35.2177.7-171.944.1000112.1H41 S42 T48 R49H41-D45 PolarHBondContact O-N 2.97Å; H41-D45 VanDerWaalsContact O-N 3.13Å; S42-D45 PolarHBondContact O-N 3.3Å; D45-T48 WeakPolarHBondContact CA-OG1 3.46Å; D45-T48 PolarHBondContact O-OG1 3.39Å; D45-R49 WeakPolarHBondContact O-CD 3.49Å; D45-R49 WeakPolarHBondContact O-CG 3.39Å; D45-R49 PolarHBondContact O-N 3.43Å; D45-R49 IonicContact OD1-NE 3.76Å; D45-R49 IonicContact OD1-NH2 3.93Å; D45-R49 IonicContact OD2-CZ 2.64Å; D45-R49 IonicContact OD2-NE 3.88Å; D45-R49 PolarHBondContact OD2-NE 3.14Å; D45-R49 VanDerWaalsContact OD2-NE 3.09Å; D45-R49 IonicContact OD2-NH2 2.8Å; D45-R49 PolarHBondContact OD2-NH2 3.01Å
46W89Confident89.4Confident151 Ų15161 Ų6157%0.57230%0.301SS*.Hα-helixtrans-69-42.7173.3-8589.8000112.8Y7 S42 A43 L44 R49 L50Y7-W46 HydrophobicContact CD2-CB 3.59Å; Y7-W46 HydrophobicContact CD2-CD2 4.49Å; Y7-W46 HydrophobicContact CD2-CG 4.11Å; Y7-W46 HydrophobicContact CE2-CB 3.5Å; Y7-W46 VanDerWaalsContact CE2-CB 3.5Å; Y7-W46 HydrophobicContact CE2-CD2 4.46Å; Y7-W46 AromaticContact CE2-CG 3.83Å; Y7-W46 HydrophobicContact CE2-CG 3.83Å; S42-W46 VanDerWaalsContact O-CD1 3.26Å; S42-W46 PolarHBondContact O-N 3.06Å; A43-W46 PolarHBondContact O-N 3.1Å; L44-W46 VanDerWaalsContact C-N 3.26Å; L44-W46 PolarHBondContact O-N 3.17Å; W46-R49 PolarHBondContact O-N 3.01Å; W46-L50 WeakPolarHBondContact O-CG 3.4Å; W46-L50 PolarHBondContact O-N 2.93Å; W46-L50 VanDerWaalsContact O-N 3.09Å
47L89.6Confident89.5Confident0 Ų058.4 Ų58.40%029%0.29CS..Hα-helixtrans-66.6-37.1179.5-66.1167.3000112.5Y7 A43 L44 L50 N51 V52 M56 F58 F79 L108Y7-L47 HydrophobicContact CG-CD2 4.4Å; A43-L47 WeakPolarHBondContact O-CG 3.36Å; A43-L47 PolarHBondContact O-N 2.86Å; L44-L47 PolarHBondContact O-N 3.44Å; L44-L47 VanDerWaalsContact O-N 3.16Å; L47-L50 CarbonylContact O-C 3.58Å; L47-L50 PolarHBondContact O-N 2.84Å; L47-N51 PolarHBondContact O-N 2.99Å; L47-V52 HydrophobicContact CB-CB 4.42Å; L47-V52 HydrophobicContact CD2-CB 4.39Å; L47-V52 HydrophobicContact CD2-CG2 4.16Å; L47-V52 PolarHBondContact O-N 3.21Å; L47-V52 VanDerWaalsContact O-N 3.08Å; L47-M56 HydrophobicContact CB-CE 4.25Å; L47-M56 HydrophobicContact CB-SD 4.45Å; L47-M56 HydrophobicContact CD1-CE 4.41Å; L47-M56 HydrophobicContact CD1-CG 4.31Å; L47-M56 HydrophobicContact CD1-SD 3.56Å; L47-M56 VanDerWaalsContact CD1-SD 3.56Å; L47-F58 HydrophobicContact CD1-CE1 4.32Å; L47-F58 HydrophobicContact CD1-CZ 3.67Å; L47-F58 HydrophobicContact CD2-CE1 4.25Å; L47-F58 HydrophobicContact CD2-CZ 4.31Å; L47-F79 HydrophobicContact CD1-CE1 3.95Å; L47-F79 HydrophobicContact CD1-CZ 3.69Å; L47-L108 HydrophobicContact CD2-CD1 3.9Å; L47-L108 HydrophobicContact CD2-CD2 3.94Å; L47-L108 HydrophobicContact CD2-CG 4.36Å
48T88.2Confident89.6Confident74 Ų7458.4 Ų58.445%0.45429%0.29SS..Hα-helixtrans-66.5-39.8176.356.20000111.4L44 D45 L50 N51L44-T48 HydrophobicContact CD1-CG2 4.24Å; L44-T48 HydrophobicContact CG-CG2 4.38Å; L44-T48 WeakPolarHBondContact O-CG2 3.37Å; L44-T48 PolarHBondContact O-N 3.37Å; L44-T48 PolarHBondContact O-OG1 3.1Å; D45-T48 WeakPolarHBondContact CA-OG1 3.46Å; D45-T48 PolarHBondContact O-OG1 3.39Å; T48-L50 VanDerWaalsContact C-N 3.27Å; T48-L50 PolarHBondContact O-N 2.87Å; T48-N51 PolarHBondContact O-N 2.84Å
49R89.4Confident89.6Confident174 Ų17461 Ų6166%0.65730%0.301SS*.Hα-helixtrans-63.6-31.8173-70.9169.1-168.8-1228.4113.1D45 W46 N51D45-R49 WeakPolarHBondContact O-CD 3.49Å; D45-R49 WeakPolarHBondContact O-CG 3.39Å; D45-R49 PolarHBondContact O-N 3.43Å; D45-R49 IonicContact OD1-NE 3.76Å; D45-R49 IonicContact OD1-NH2 3.93Å; D45-R49 IonicContact OD2-CZ 2.64Å; D45-R49 IonicContact OD2-NE 3.88Å; D45-R49 PolarHBondContact OD2-NE 3.14Å; D45-R49 VanDerWaalsContact OD2-NE 3.09Å; D45-R49 IonicContact OD2-NH2 2.8Å; D45-R49 PolarHBondContact OD2-NH2 3.01Å; W46-R49 PolarHBondContact O-N 3.01Å; R49-N51 PolarHBondContact O-N 3.01Å
50L87Confident89.7Confident53 Ų5361 Ų6128%0.27730%0.301SS..THydrogen-bonded Turntrans-81.61.2174.6-69.8172.2000113.1P4 W46 L47 T48 V52P4-L50 HydrophobicContact CB-CD2 4Å; W46-L50 WeakPolarHBondContact O-CG 3.4Å; W46-L50 PolarHBondContact O-N 2.93Å; W46-L50 VanDerWaalsContact O-N 3.09Å; L47-L50 CarbonylContact O-C 3.58Å; L47-L50 PolarHBondContact O-N 2.84Å; T48-L50 VanDerWaalsContact C-N 3.27Å; T48-L50 PolarHBondContact O-N 2.87Å; L50-V52 HydrophobicContact CB-CG2 3.72Å; L50-V52 PolarHBondContact O-N 2.95Å
51N85.5Confident89.7Confident146 Ų14661.4 Ų61.478%0.78130%0.304SS*.THydrogen-bonded Turntrans53.535.7-176.5-67101000113.5L47 T48 R49 S53L47-N51 PolarHBondContact O-N 2.99Å; T48-N51 PolarHBondContact O-N 2.84Å; R49-N51 PolarHBondContact O-N 3.01Å; N51-S53 PolarHBondContact O-N 2.79Å
52V84.3Confident89.7Confident30 Ų3057 Ų5718%0.18228%0.283CS..  trans-76.8114.9-179.9-177.90000109.3L47 L50 M56 L108L47-V52 HydrophobicContact CB-CB 4.42Å; L47-V52 HydrophobicContact CD2-CB 4.39Å; L47-V52 HydrophobicContact CD2-CG2 4.16Å; L47-V52 PolarHBondContact O-N 3.21Å; L47-V52 VanDerWaalsContact O-N 3.08Å; L50-V52 HydrophobicContact CB-CG2 3.72Å; L50-V52 PolarHBondContact O-N 2.95Å; V52-M56 HydrophobicContact CG1-CG 4.02Å; V52-M56 WeakPolarHBondContact O-CE 3.34Å; V52-L108 HydrophobicContact CB-CD2 4.41Å; V52-L108 HydrophobicContact CG1-CD1 4.12Å; V52-L108 HydrophobicContact CG1-CD2 4.07Å; V52-L108 HydrophobicContact CG2-CD2 3.48Å; V52-L108 VanDerWaalsContact CG2-CD2 3.48Å
53S82.1Confident89.4Confident97 Ų9758.7 Ų58.768%0.67829%0.29SS*.PPolyproline II helixtrans-79.9157.8171.4580000111.3N51N51-S53 PolarHBondContact O-N 2.79Å
54Y82.9Confident89.1Confident152 Ų15262.9 Ų62.960%0.59631%0.312SS*.SBendtrans-57.7142.1168-173.6-94.8000110.6I177Y54-I177 HydrophobicContact CE1-CG2 4.09Å
55P87Confident88.2Confident52 Ų5269.3 Ų69.334%0.33834%0.341SS..PPolyproline II helixcis-83.8135.71.633-34.5000114.8L57 I177P55-L57 HydrophobicContact CB-CD2 4.03Å; P55-L57 HydrophobicContact CB-CG 4.36Å; P55-L57 PolarHBondContact O-N 3.09Å; P55-I177 HydrophobicContact CB-CD1 3.29Å; P55-I177 HydrophobicContact CG-CD1 4.04Å
56M91Very high87.3Confident29 Ų2969.9 Ų69.914%0.14336%0.355CS..  trans-89.4104.2174.4-65.8169.3-175.800109.7L44 L47 V52 F58 V76 F79L44-M56 HydrophobicContact CD1-CE 4.42Å; L47-M56 HydrophobicContact CB-CE 4.25Å; L47-M56 HydrophobicContact CB-SD 4.45Å; L47-M56 HydrophobicContact CD1-CE 4.41Å; L47-M56 HydrophobicContact CD1-CG 4.31Å; L47-M56 HydrophobicContact CD1-SD 3.56Å; L47-M56 VanDerWaalsContact CD1-SD 3.56Å; V52-M56 HydrophobicContact CG1-CG 4.02Å; V52-M56 WeakPolarHBondContact O-CE 3.34Å; M56-F58 HydrophobicContact CB-CE2 4.1Å; M56-F58 HydrophobicContact CB-CZ 4.22Å; M56-V76 HydrophobicContact CB-CG1 3.86Å; M56-V76 HydrophobicContact SD-CG1 4.46Å; M56-F79 HydrophobicContact SD-CE2 4.13Å; M56-F79 HydrophobicContact SD-CZ 3.91Å
57L93.5Very high86.4Confident4 Ų463.7 Ų63.72%0.02133%0.334CS..EExtended strand (participates in β ladder)trans-110.2139.6-178.1-49.1-179.1000110.3P55 L108 V109 L111 A144 C145 I177P55-L57 HydrophobicContact CB-CD2 4.03Å; P55-L57 HydrophobicContact CB-CG 4.36Å; P55-L57 PolarHBondContact O-N 3.09Å; L57-L108 WeakPolarHBondContact O-CD1 3.46Å; L57-V109 PolarHBondContact O-N 2.84Å; L57-L111 HydrophobicContact CD1-CB 3.94Å; L57-L111 HydrophobicContact CD1-CD1 4.14Å; L57-L111 HydrophobicContact CD1-CG 4.15Å; L57-A144 HydrophobicContact CD2-CB 4.08Å; L57-C145 VanDerWaalsContact CD2-SG 3.54Å; L57-I177 HydrophobicContact CD2-CD1 3.91Å
58F94.5Very high85.4Confident0 Ų073.2 Ų73.20%038%0.375CS..EExtended strand (participates in β ladder)trans-123.6143.9-177.2-59.1-78.8000111.3Y7 L39 L47 M56 H73 C74 V76 I106 E107 L108Y7-F58 HydrophobicContact CD1-CE1 4.06Å; Y7-F58 HydrophobicContact CE1-CE1 4.31Å; L39-F58 HydrophobicContact CD1-CD2 4.1Å; L39-F58 HydrophobicContact CD1-CE1 4.41Å; L39-F58 HydrophobicContact CD1-CE2 3.71Å; L39-F58 HydrophobicContact CD1-CZ 3.88Å; L47-F58 HydrophobicContact CD1-CE1 4.32Å; L47-F58 HydrophobicContact CD1-CZ 3.67Å; L47-F58 HydrophobicContact CD2-CE1 4.25Å; L47-F58 HydrophobicContact CD2-CZ 4.31Å; M56-F58 HydrophobicContact CB-CE2 4.1Å; M56-F58 HydrophobicContact CB-CZ 4.22Å; F58-H73 CarbonylContact O-C 3.54Å; F58-H73 VanDerWaalsContact O-CA 3.3Å; F58-H73 WeakPolarHBondContact O-CA 3.46Å; F58-C74 PolarHBondContact N-O 3.32Å; F58-C74 PolarHBondContact O-N 2.95Å; F58-V76 HydrophobicContact CD2-CB 4.4Å; F58-V76 HydrophobicContact CE2-CB 3.81Å; F58-V76 HydrophobicContact CE2-CG1 3.9Å; F58-I106 HydrophobicContact CB-CG2 3.69Å; F58-I106 HydrophobicContact CD1-CG2 3.66Å; F58-I106 HydrophobicContact CG-CG2 3.79Å; F58-E107 CarbonylContact C-O 3.59Å; F58-E107 VanDerWaalsContact CA-O 3.24Å; F58-E107 WeakPolarHBondContact CA-O 3.26Å; F58-L108 HydrophobicContact CD1-CB 4.39Å; F58-L108 HydrophobicContact CD1-CD1 4.42Å; F58-L108 HydrophobicContact CE1-CB 4.27Å; F58-L108 HydrophobicContact CE1-CD1 3.98Å; F58-L108 HydrophobicContact CZ-CD1 4.37Å
59K94.3Very high84.7Confident55 Ų5575.3 Ų75.324%0.23938%0.384CS..EExtended strand (participates in β ladder)trans-97.3119.1164.7-178.8-177.4176.3-1730108F71 T72 I106 E107 V109K59-F71 HydrophobicContact CG-CB 4.29Å; K59-T72 WeakPolarHBondContact CA-O 3.3Å; K59-I106 WeakPolarHBondContact O-CA 3.37Å; K59-E107 PolarHBondContact N-O 3.2Å; K59-E107 PolarHBondContact O-N 3.42Å; K59-V109 HydrophobicContact CB-CG1 3.84Å; K59-V109 HydrophobicContact CB-CG2 4.05Å
60I94.4Very high84.6Confident0 Ų072.5 Ų72.50%037%0.374CS..EExtended strand (participates in β ladder)trans-99.8126174.4-56.2-174.4000107.8V37 F71 T72 C74 L88 L92 L96 A104 K105 I106V37-I60 HydrophobicContact CG1-CD1 4.09Å; I60-F71 CarbonylContact O-C 3.58Å; I60-F71 WeakPolarHBondContact O-CA 3.44Å; I60-T72 PolarHBondContact N-O 3.49Å; I60-T72 PolarHBondContact O-N 2.86Å; I60-C74 WeakPolarHBondContact CD1-SG 3.34Å; I60-L88 HydrophobicContact CD1-CD1 4.5Å; I60-L88 HydrophobicContact CD1-CD2 3.53Å; I60-L92 HydrophobicContact CD1-CD2 4.2Å; I60-L96 HydrophobicContact CB-CD1 4.1Å; I60-L96 HydrophobicContact CG2-CD1 3.5Å; I60-A104 HydrophobicContact CG2-CB 3.71Å; I60-K105 CarbonylContact C-O 3.6Å; I60-K105 WeakPolarHBondContact CA-O 3.37Å; I60-I106 HydrophobicContact CD1-CD1 4.38Å; I60-I106 HydrophobicContact CG1-CD1 4.46Å; I60-I106 HydrophobicContact CG1-CG1 4.21Å
61T93.6Very high84.9Confident10 Ų1074.4 Ų74.46%0.06138%0.38CS..EExtended strand (participates in β ladder)trans-122.8130.3178-510000109.3L63 N69 F71 A104 K105T61-L63 PolarHBondContact O-N 2.91Å; T61-N69 WeakPolarHBondContact CG2-OD1 3.5Å; T61-F71 HydrophobicContact CG2-CB 4.36Å; T61-A104 WeakPolarHBondContact O-CA 3.49Å; T61-K105 PolarHBondContact N-O 3.33Å; T61-K105 PolarHBondContact O-N 3.42Å
62N92Very high85.3Confident5 Ų567.5 Ų67.53%0.02734%0.343CS..EExtended strand (participates in β ladder)trans-70.5129174.1-172.4-7.6000109.5D64 R70 L96 L98N62-D64 VanDerWaalsContact C-N 3.34Å; N62-D64 WeakPolarHBondContact OD1-CB 3.3Å; N62-D64 PolarHBondContact OD1-N 3.44Å; N62-R70 PolarHBondContact N-O 3.22Å; N62-L96 PolarHBondContact ND2-O 3.41Å; N62-L98 HydrophobicContact CB-CD2 4.1Å; N62-L98 HydrophobicContact CB-CG 4.29Å; N62-L98 VanDerWaalsContact OD1-CD2 3.26Å; N62-L98 WeakPolarHBondContact OD1-CD2 3.05Å
63L87.6Confident85.8Confident70 Ų7066.8 Ų66.837%0.36634%0.337SS..  trans-84.4-9.3179.7-72.6167.8000113.3E10 T61 Q65 L103 K105E10-L63 HydrophobicContact CB-CD1 4.42Å; E10-L63 HydrophobicContact CG-CD1 3.94Å; T61-L63 PolarHBondContact O-N 2.91Å; L63-Q65 PolarHBondContact O-N 3.06Å; L63-L103 HydrophobicContact CD1-CB 4.02Å; L63-L103 PolarHBondContact N-O 2.96Å; L63-K105 HydrophobicContact CD1-CB 4.28Å; L63-K105 HydrophobicContact CD2-CB 4.01Å; L63-K105 HydrophobicContact CG-CB 4.09Å
64D84.4Confident86.4Confident88 Ų8862.2 Ų62.247%0.47131%0.305SS..  trans-69.8122.6178.5-167-2000111.5N62 A66 V67N62-D64 VanDerWaalsContact C-N 3.34Å; N62-D64 WeakPolarHBondContact OD1-CB 3.3Å; N62-D64 PolarHBondContact OD1-N 3.44Å; D64-A66 PolarHBondContact O-N 3.37Å; D64-A66 PolarHBondContact OD1-N 2.62Å; D64-V67 PolarHBondContact O-N 3.01Å
65Q71.5Confident86.9Confident194 Ų19455 Ų5591%0.90728%0.278SS*.THydrogen-bonded Turntrans-65.5-24.8-178.5-66.1-179.82.500112.3L63 V67L63-Q65 PolarHBondContact O-N 3.06Å; Q65-V67 PolarHBondContact O-N 2.95Å
66A71.7Confident87.2Confident84 Ų8453.5 Ų53.569%0.69427%0.268SS*.THydrogen-bonded Turntrans-64.1-29.3178.300000112.3D64D64-A66 PolarHBondContact O-N 3.37Å; D64-A66 PolarHBondContact OD1-N 2.62Å
67V70.8Confident87.1Confident21 Ų2155.2 Ų55.213%0.12728%0.277CS..SBendtrans-109.682.1-172-176.60000110.2D64 Q65 N69 R70 L97D64-V67 PolarHBondContact O-N 3.01Å; Q65-V67 PolarHBondContact O-N 2.95Å; V67-N69 PolarHBondContact O-N 3.26Å; V67-R70 HydrophobicContact CG1-CB 4.3Å; V67-R70 HydrophobicContact CG1-CG 3.97Å; V67-R70 PolarHBondContact O-N 3.24Å; V67-L97 HydrophobicContact CG1-CB 4.01Å; V67-L97 HydrophobicContact CG1-CD1 3.83Å; V67-L97 HydrophobicContact CG1-CG 4.31Å; V67-L97 HydrophobicContact CG2-CB 4.07Å; V67-L97 HydrophobicContact CG2-CD1 4.34Å
68K67.5Low87Confident199 Ų19957.3 Ų57.387%0.86529%0.287SS*.THydrogen-bonded Turntrans-0.157.6169-70.2-172.4176.7-179.60118.2R70K68-R70 PolarHBondContact O-N 3.33Å
69N73.4Confident86.8Confident119 Ų11958.6 Ų58.664%0.63629%0.292SS*.THydrogen-bonded Turntrans36.747.7178.4-152.419.8000114T61 V67T61-N69 WeakPolarHBondContact CG2-OD1 3.5Å; V67-N69 PolarHBondContact O-N 3.26Å
70R88.8Confident86.4Confident115 Ų11561.2 Ų61.243%0.43431%0.305SS..  trans-66.8137.5179.5-74-164-178.6169.63.9109.6N62 V67 K68 N95 L96 L97N62-R70 PolarHBondContact N-O 3.22Å; V67-R70 HydrophobicContact CG1-CB 4.3Å; V67-R70 HydrophobicContact CG1-CG 3.97Å; V67-R70 PolarHBondContact O-N 3.24Å; K68-R70 PolarHBondContact O-N 3.33Å; R70-N95 WeakPolarHBondContact CD-O 3.43Å; R70-N95 PolarHBondContact NH1-O 2.89Å; R70-L96 HydrophobicContact CB-CD2 4.28Å; R70-L96 WeakPolarHBondContact O-CD2 3.38Å; R70-L97 VanDerWaalsContact NH1-CD1 3.34Å
71F92.7Very high86Confident92 Ų9261.7 Ų61.740%0.40431%0.307SS..EExtended strand (participates in β ladder)trans-133.6151.2177.365-91000110.1K59 I60 T61 H73 T147K59-F71 HydrophobicContact CG-CB 4.29Å; I60-F71 CarbonylContact O-C 3.58Å; I60-F71 WeakPolarHBondContact O-CA 3.44Å; T61-F71 HydrophobicContact CG2-CB 4.36Å; F71-H73 AromaticContact CD2-CE1 3.7Å; F71-H73 AromaticContact CE2-CE1 3.73Å; F71-T147 HydrophobicContact CD2-CG2 4.38Å; F71-T147 HydrophobicContact CE2-CG2 3.88Å
72T94.4Very high85.8Confident2 Ų268 Ų681%0.01234%0.336CS..EExtended strand (participates in β ladder)trans-138.2161.6172.663.10000108.9K59 I60 N95 L96 D150K59-T72 WeakPolarHBondContact CA-O 3.3Å; I60-T72 PolarHBondContact N-O 3.49Å; I60-T72 PolarHBondContact O-N 2.86Å; T72-N95 HydrophobicContact CG2-CB 4.01Å; T72-L96 HydrophobicContact CG2-CD2 3.76Å; T72-L96 HydrophobicContact CG2-CG 3.91Å; T72-D150 WeakPolarHBondContact CG2-OD1 3.47Å
73H94.7Very high85.7Confident14 Ų1473.4 Ų73.47%0.06536%0.361CS..EExtended strand (participates in β ladder)trans-112.6139.3176.1-60.685.2000110.3F58 F71 L111 C145 T147 A173F58-H73 CarbonylContact O-C 3.54Å; F58-H73 VanDerWaalsContact O-CA 3.3Å; F58-H73 WeakPolarHBondContact O-CA 3.46Å; F71-H73 AromaticContact CD2-CE1 3.7Å; F71-H73 AromaticContact CE2-CE1 3.73Å; H73-L111 HydrophobicContact CB-CD1 3.97Å; H73-C145 HydrophobicContact CB-CB 3.7Å; H73-T147 PolarHBondContact N-OG1 2.64Å; H73-T147 VanDerWaalsContact N-OG1 3.09Å; H73-T147 WeakPolarHBondContact ND1-CG2 3.28Å; H73-T147 PolarHBondContact ND1-OG1 3.14Å; H73-T147 VanDerWaalsContact ND1-OG1 3.09Å; H73-A173 WeakPolarHBondContact CE1-CB 3.46Å; H73-A173 WeakPolarHBondContact ND1-CB 3Å
74C93.8Very high85.8Confident1 Ų171.6 Ų71.61%0.00736%0.36CS..EExtended strand (participates in β ladder)trans-145160.417962.30000111.3V37 F58 I60 L92V37-C74 HydrophobicContact CG1-CB 3.91Å; V37-C74 VanDerWaalsContact CG1-SG 3.56Å; F58-C74 PolarHBondContact N-O 3.32Å; F58-C74 PolarHBondContact O-N 2.95Å; I60-C74 WeakPolarHBondContact CD1-SG 3.34Å; C74-L92 HydrophobicContact CB-CD1 3.87Å
75G93.3Very high86.2Confident2 Ų268.9 Ų68.92%0.02135%0.345CS..EExtended strand (participates in β ladder)trans-92.7171.3166.700000111.1G35 K36 V37G35-G75 PolarHBondContact O-N 3.47Å; G35-G75 VanDerWaalsContact O-N 3.14Å; K36-G75 CarbonylContact C-O 3.55Å; K36-G75 VanDerWaalsContact CA-O 3.29Å; K36-G75 WeakPolarHBondContact CA-O 3.37Å; V37-G75 WeakPolarHBondContact CG2-O 3.43Å; V37-G75 PolarHBondContact N-O 2.86Å
76V92.4Very high87.2Confident20 Ų2059.6 Ų59.612%0.12130%0.302CS..EExtended strand (participates in β ladder)trans-96.5140.9167.758.80000110.6L39 M56 F58 F79L39-V76 HydrophobicContact CB-CG2 4.41Å; L39-V76 HydrophobicContact CD1-CB 4.4Å; L39-V76 HydrophobicContact CD1-CG2 4.17Å; L39-V76 HydrophobicContact CG-CG2 4.36Å; M56-V76 HydrophobicContact CB-CG1 3.86Å; M56-V76 HydrophobicContact SD-CG1 4.46Å; F58-V76 HydrophobicContact CD2-CB 4.4Å; F58-V76 HydrophobicContact CE2-CB 3.81Å; F58-V76 HydrophobicContact CE2-CG1 3.9Å; V76-F79 HydrophobicContact CB-CE2 4.47Å; V76-F79 HydrophobicContact CB-CZ 4.16Å; V76-F79 HydrophobicContact CG1-CE2 3.92Å; V76-F79 HydrophobicContact CG1-CZ 3.74Å; V76-F79 HydrophobicContact CG2-CD1 4.28Å; V76-F79 HydrophobicContact CG2-CD2 4.2Å; V76-F79 HydrophobicContact CG2-CE1 3.88Å; V76-F79 HydrophobicContact CG2-CE2 3.78Å; V76-F79 HydrophobicContact CG2-CG 4.45Å; V76-F79 HydrophobicContact CG2-CZ 3.63Å
77L90.9Very high88.3Confident64 Ų6456.9 Ų56.934%0.33527%0.274SS..EExtended strand (participates in β ladder)trans-92.5-57.8169.8-178.859.1000110.5I31 K36 V37 L38I31-L77 HydrophobicContact CD1-CD2 3.93Å; I31-L77 HydrophobicContact CG1-CD2 3.62Å; K36-L77 HydrophobicContact CB-CB 3.66Å; K36-L77 HydrophobicContact CD-CB 4.14Å; K36-L77 HydrophobicContact CD-CD1 3.76Å; K36-L77 HydrophobicContact CD-CG 4.49Å; V37-L77 PolarHBondContact O-N 2.97Å; L38-L77 HydrophobicContact CD2-CB 4.01Å; L38-L77 HydrophobicContact CD2-CD2 4.17Å; L38-L77 HydrophobicContact CD2-CG 4.34Å
78E90.3Very high89.4Confident49 Ų4955.9 Ų55.923%0.22927%0.268CS..EExtended strand (participates in β ladder)trans-147.8156.6-173.1-79175.6-169.400111.3R27 L38 L39 H80R27-E78 IonicContact CZ-OE1 3.01Å; R27-E78 IonicContact NH2-OE1 2.73Å; R27-E78 PolarHBondContact NH2-OE1 2.96Å; R27-E78 IonicContact NH2-OE2 3.22Å; R27-E78 PolarHBondContact NH2-OE2 2.88Å; L38-E78 HydrophobicContact CD2-CB 3.9Å; L39-E78 PolarHBondContact N-O 2.99Å; E78-H80 IonicContact OE2-CE1 3.57Å; E78-H80 IonicContact OE2-ND1 3.37Å; E78-H80 PolarHBondContact OE2-ND1 2.85Å; E78-H80 VanDerWaalsContact OE2-ND1 3.14Å
79F90.6Very high90.6Very high26 Ų2646.4 Ų46.411%0.11423%0.226CC..EExtended strand (participates in β ladder)trans-108.133.4-177.5-68-83.3000113.2L39 P40 H41 A43 L44 L47 M56 V76L39-F79 HydrophobicContact CB-CD1 3.72Å; L39-F79 HydrophobicContact CB-CE1 3.93Å; L39-F79 HydrophobicContact CD1-CE1 4.01Å; L39-F79 CarbonylContact O-C 3.54Å; L39-F79 WeakPolarHBondContact O-CA 3.14Å; P40-F79 CarbonylContact C-O 3.51Å; P40-F79 WeakPolarHBondContact O-CD1 3.45Å; H41-F79 WeakPolarHBondContact CA-O 3.34Å; H41-F79 PolarHBondContact CD2-O 3.1Å; H41-F79 VanDerWaalsContact CD2-O 3.3Å; H41-F79 PolarHBondContact CE1-O 2.86Å; H41-F79 PolarHBondContact N-O 3.14Å; H41-F79 VanDerWaalsContact N-O 3.15Å; H41-F79 PolarHBondContact ND1-O 3.16Å; H41-F79 PolarHBondContact NE2-O 3.06Å; A43-F79 HydrophobicContact CB-CD1 4.08Å; A43-F79 HydrophobicContact CB-CE1 3.92Å; L44-F79 HydrophobicContact CB-CB 4.07Å; L44-F79 HydrophobicContact CB-CD1 3.79Å; L44-F79 HydrophobicContact CB-CD2 4Å; L44-F79 HydrophobicContact CB-CE1 4.13Å; L44-F79 HydrophobicContact CB-CE2 4.34Å; L44-F79 HydrophobicContact CB-CG 3.7Å; L44-F79 HydrophobicContact CB-CZ 4.38Å; L44-F79 HydrophobicContact CD1-CD2 3.91Å; L44-F79 HydrophobicContact CD1-CE2 3.73Å; L44-F79 HydrophobicContact CD1-CG 4.48Å; L44-F79 HydrophobicContact CD1-CZ 4.15Å; L44-F79 HydrophobicContact CD2-CB 4.31Å; L44-F79 HydrophobicContact CD2-CD2 4.1Å; L44-F79 HydrophobicContact CD2-CG 4.31Å; L44-F79 HydrophobicContact CG-CD2 4.22Å; L44-F79 HydrophobicContact CG-CE2 4.48Å; L44-F79 HydrophobicContact CG-CG 4.38Å; L47-F79 HydrophobicContact CD1-CE1 3.95Å; L47-F79 HydrophobicContact CD1-CZ 3.69Å; M56-F79 HydrophobicContact SD-CE2 4.13Å; M56-F79 HydrophobicContact SD-CZ 3.91Å; V76-F79 HydrophobicContact CB-CE2 4.47Å; V76-F79 HydrophobicContact CB-CZ 4.16Å; V76-F79 HydrophobicContact CG1-CE2 3.92Å; V76-F79 HydrophobicContact CG1-CZ 3.74Å; V76-F79 HydrophobicContact CG2-CD1 4.28Å; V76-F79 HydrophobicContact CG2-CD2 4.2Å; V76-F79 HydrophobicContact CG2-CE1 3.88Å; V76-F79 HydrophobicContact CG2-CE2 3.78Å; V76-F79 HydrophobicContact CG2-CG 4.45Å; V76-F79 HydrophobicContact CG2-CZ 3.63Å
80H85.5Confident91.4Very high111 Ų11143.7 Ų43.751%0.51421%0.21SC..EExtended strand (participates in β ladder)trans-95.614.5-173-60.4126.2000115.1L39 H41 E78L39-H80 PolarHBondContact O-N 3.09Å; H41-H80 AromaticContact CE1-CD2 3.62Å; H41-H80 AromaticContact NE2-CD2 3.5Å; H41-H80 PolarHBondContact NE2-CD2 2.88Å; E78-H80 IonicContact OE2-CE1 3.57Å; E78-H80 IonicContact OE2-ND1 3.37Å; E78-H80 PolarHBondContact OE2-ND1 2.85Å; E78-H80 VanDerWaalsContact OE2-ND1 3.14Å
81Q85.8Confident91.6Very high9 Ų939 Ų394%0.04219%0.192CC..EExtended strand (participates in β ladder)trans-84.4157.9-175.8-55.9-47.1-58.800113.8F21 L38 L39 P40 Y87F21-Q81 VanDerWaalsContact CE1-OE1 3.26Å; L38-Q81 HydrophobicContact CB-CG 3.53Å; L39-Q81 WeakPolarHBondContact O-CB 3.24Å; L39-Q81 WeakPolarHBondContact O-CG 3.48Å; L39-Q81 PolarHBondContact O-N 3.02Å; L39-Q81 VanDerWaalsContact O-N 3.1Å; P40-Q81 WeakPolarHBondContact CA-O 3.41Å; P40-Q81 HydrophobicContact CB-CB 4.43Å; P40-Q81 WeakPolarHBondContact CB-O 3.15Å; Q81-Y87 HydrophobicContact CG-CD2 3.89Å; Q81-Y87 HydrophobicContact CG-CE2 4.41Å
82E88.8Confident91.6Very high144 Ų14434.7 Ų34.767%0.67317%0.173SC*.PPolyproline II helixtrans-63.3147.1169.4-63.7-174.2171.100111G84 L85E82-G84 PolarHBondContact O-N 3.46Å; E82-L85 HydrophobicContact CB-CD1 4Å; E82-L85 HydrophobicContact CB-CG 4.28Å; E82-L85 PolarHBondContact O-N 3.36Å; E82-L85 VanDerWaalsContact O-N 3.1Å
83E91.2Very high91.5Very high117 Ų11734.6 Ų34.655%0.54717%0.173SC..THydrogen-bonded Turntrans-61131-178.1-66.5-61.315600111.8S42 L85S42-E83 WeakPolarHBondContact CB-OE1 3.07Å; S42-E83 WeakPolarHBondContact CB-OE2 3.38Å; S42-E83 PolarHBondContact N-OE1 2.84Å; S42-E83 VanDerWaalsContact N-OE1 3.11Å; S42-E83 PolarHBondContact OG-OE1 2.85Å; S42-E83 PolarHBondContact OG-OE2 3.24Å; E83-L85 VanDerWaalsContact C-N 3.3Å
84G89.8Confident91.3Very high33 Ų3336.4 Ų36.434%0.3419%0.187SC..THydrogen-bonded Turntrans84.2-5.2-17700000115.2R12 E82R12-G84 PolarHBondContact N-O 2.92Å; E82-G84 PolarHBondContact O-N 3.46Å
85L92.3Very high91.2Very high30 Ų3037.5 Ų37.516%0.15719%0.192CC..EExtended strand (participates in β ladder)trans-106.3143.9176.3-56-170.9000112R12 Y14 E82 E83 Y87R12-L85 HydrophobicContact CB-CD2 4.03Å; Y14-L85 HydrophobicContact CD2-CD2 4.13Å; Y14-L85 HydrophobicContact CE2-CD2 3.65Å; E82-L85 HydrophobicContact CB-CD1 4Å; E82-L85 HydrophobicContact CB-CG 4.28Å; E82-L85 PolarHBondContact O-N 3.36Å; E82-L85 VanDerWaalsContact O-N 3.1Å; E83-L85 VanDerWaalsContact C-N 3.3Å; L85-Y87 HydrophobicContact CB-CE2 4.5Å
86C93.3Very high91.1Very high0 Ų037.4 Ų37.40%019%0.192CC..EExtended strand (participates in β ladder)trans-134136.3171.7177.80000109.3Y11 R12 C13 Y14 L39 L88 I106Y11-C86 HydrophobicContact CG-CB 4.16Å; R12-C86 PolarHBondContact O-N 3.34Å; C13-C86 CarbonylContact C-O 3.51Å; C13-C86 VanDerWaalsContact CA-O 3.31Å; C13-C86 WeakPolarHBondContact CA-O 3.2Å; Y14-C86 PolarHBondContact N-O 2.86Å; L39-C86 HydrophobicContact CD2-CB 4.29Å; C86-L88 VanDerWaalsContact SG-CD2 3.57Å; C86-I106 HydrophobicContact CB-CD1 4.25Å
87Y93.4Very high91Very high26 Ų2640.4 Ų40.410%0.10221%0.207CC..EExtended strand (participates in β ladder)trans-107.7127.9176.3-68.5-98000111.1Y14 S15 M18 C19 L38 Q81 L85Y14-Y87 WeakPolarHBondContact O-CA 3.18Å; S15-Y87 WeakPolarHBondContact O-CD1 3.38Å; M18-Y87 HydrophobicContact CB-CE1 4.32Å; C19-Y87 HydrophobicContact CB-CD1 3.83Å; C19-Y87 HydrophobicContact CB-CE1 3.8Å; C19-Y87 HydrophobicContact CB-CG 4.46Å; L38-Y87 PolarHBondContact N-O 3.28Å; L38-Y87 VanDerWaalsContact N-O 3.1Å; L38-Y87 PolarHBondContact O-N 3.01Å; L38-Y87 VanDerWaalsContact O-N 3.16Å; Q81-Y87 HydrophobicContact CG-CD2 3.89Å; Q81-Y87 HydrophobicContact CG-CE2 4.41Å; L85-Y87 HydrophobicContact CB-CE2 4.5Å
88L93.5Very high91Very high0 Ų037.8 Ų37.80%019%0.193CC..EExtended strand (participates in β ladder)trans-118.1143.5-175.7-56.1-178.7000110.5C13 Y14 V16 V37 I60 C86 L92 M93 L98C13-L88 HydrophobicContact CB-CD1 3.66Å; C13-L88 HydrophobicContact CB-CG 4.23Å; Y14-L88 PolarHBondContact O-N 3.03Å; V16-L88 WeakPolarHBondContact CG2-O 3.39Å; V16-L88 PolarHBondContact N-O 3.49Å; V37-L88 HydrophobicContact CB-CD2 3.85Å; V37-L88 HydrophobicContact CG1-CD2 3.34Å; I60-L88 HydrophobicContact CD1-CD1 4.5Å; I60-L88 HydrophobicContact CD1-CD2 3.53Å; C86-L88 VanDerWaalsContact SG-CD2 3.57Å; L88-L92 HydrophobicContact CB-CD2 4.1Å; L88-L92 HydrophobicContact CD1-CD2 3.69Å; L88-L92 HydrophobicContact CD2-CD2 4.07Å; L88-L92 HydrophobicContact CG-CD2 4.17Å; L88-M93 HydrophobicContact CB-CG 3.76Å; L88-M93 HydrophobicContact CD1-CG 4.27Å; L88-L98 HydrophobicContact CD1-CD1 4.09Å
89P93.3Very high91Very high0 Ų037.8 Ų37.80%020%0.198CC..  trans-56.8148.3167.4-25.335.5000111.9I31 W91 L92 M93I31-P89 WeakPolarHBondContact O-CG 3.5Å; P89-W91 VanDerWaalsContact C-N 3.31Å; P89-W91 HydrophobicContact CB-CG 4.46Å; P89-W91 PolarHBondContact O-N 2.88Å; P89-L92 HydrophobicContact CB-CB 4.41Å; P89-L92 WeakPolarHBondContact O-CB 3.41Å; P89-L92 PolarHBondContact O-N 3.05Å; P89-M93 PolarHBondContact O-N 3.14Å; P89-M93 VanDerWaalsContact O-N 3.1Å
90H91.4Very high91Very high63 Ų6339.9 Ų39.929%0.29221%0.208SC..Hα-helixtrans-60.4-38.5-175.9-179.367.7000112.9D32 L92 M93 S94D32-H90 VanDerWaalsContact OD1-CB 3.23Å; D32-H90 WeakPolarHBondContact OD1-CB 3.48Å; D32-H90 PolarHBondContact OD1-N 2.8Å; H90-L92 VanDerWaalsContact C-N 3.28Å; H90-L92 PolarHBondContact O-N 3.26Å; H90-M93 PolarHBondContact O-N 3.08Å; H90-S94 WeakPolarHBondContact O-CB 3.4Å; H90-S94 PolarHBondContact O-N 2.89Å; H90-S94 PolarHBondContact O-OG 2.9Å
91W92.1Very high91.2Very high17 Ų1735.8 Ų35.86%0.06420%0.195CC..Hα-helixtrans-63.4-36176.571.9-95.7000111.8G34 P89 S94 N95 F143 M151 I152 A153G34-W91 PolarHBondContact O-NE1 2.91Å; P89-W91 VanDerWaalsContact C-N 3.31Å; P89-W91 HydrophobicContact CB-CG 4.46Å; P89-W91 PolarHBondContact O-N 2.88Å; W91-S94 WeakPolarHBondContact O-CB 3.27Å; W91-S94 PolarHBondContact O-N 3.39Å; W91-N95 VanDerWaalsContact CZ3-ND2 3.34Å; W91-N95 WeakPolarHBondContact CZ3-ND2 3.29Å; W91-N95 PolarHBondContact O-N 3.05Å; W91-F143 AromaticContact CE2-CE1 3.95Å; W91-F143 HydrophobicContact CH2-CE1 4.24Å; W91-F143 HydrophobicContact CZ2-CD1 4.09Å; W91-F143 AromaticContact CZ2-CE1 3.59Å; W91-F143 HydrophobicContact CZ2-CE1 3.59Å; W91-M151 VanDerWaalsContact CE3-O 3.22Å; W91-I152 HydrophobicContact CE3-CG2 4.46Å; W91-I152 HydrophobicContact CH2-CG2 4.15Å; W91-I152 HydrophobicContact CZ3-CG2 3.97Å; W91-A153 HydrophobicContact CB-CB 3.65Å; W91-A153 HydrophobicContact CG-CB 4Å
92L93.3Very high91.5Very high0 Ų036.4 Ų36.40%020%0.204CC..Hα-helixtrans-72.8-41.2-178.8-168.4149.1000110.8V37 I60 C74 L88 P89 H90 S94 N95 L96V37-L92 HydrophobicContact CG1-CD1 4.47Å; I60-L92 HydrophobicContact CD1-CD2 4.2Å; C74-L92 HydrophobicContact CB-CD1 3.87Å; L88-L92 HydrophobicContact CB-CD2 4.1Å; L88-L92 HydrophobicContact CD1-CD2 3.69Å; L88-L92 HydrophobicContact CD2-CD2 4.07Å; L88-L92 HydrophobicContact CG-CD2 4.17Å; P89-L92 HydrophobicContact CB-CB 4.41Å; P89-L92 WeakPolarHBondContact O-CB 3.41Å; P89-L92 PolarHBondContact O-N 3.05Å; H90-L92 VanDerWaalsContact C-N 3.28Å; H90-L92 PolarHBondContact O-N 3.26Å; L92-S94 VanDerWaalsContact C-N 3.28Å; L92-S94 PolarHBondContact O-N 3.06Å; L92-N95 PolarHBondContact O-N 3.07Å; L92-L96 HydrophobicContact CD2-CD1 3.63Å; L92-L96 HydrophobicContact CD2-CG 4.48Å; L92-L96 PolarHBondContact O-N 2.89Å; L92-L96 VanDerWaalsContact O-N 3.12Å
93M92Very high91.7Very high1 Ų133.5 Ų33.51%0.00519%0.193CC..Hα-helixtrans-59.6-41.4170.6-66.7-170.774.700111.6S15 L88 P89 H90 L96 L97 L98 E100S15-M93 WeakPolarHBondContact CA-SD 3.49Å; S15-M93 PolarHBondContact N-SD 3.42Å; L88-M93 HydrophobicContact CB-CG 3.76Å; L88-M93 HydrophobicContact CD1-CG 4.27Å; P89-M93 PolarHBondContact O-N 3.14Å; P89-M93 VanDerWaalsContact O-N 3.1Å; H90-M93 PolarHBondContact O-N 3.08Å; M93-L96 CarbonylContact O-C 3.56Å; M93-L96 PolarHBondContact O-N 3.03Å; M93-L97 WeakPolarHBondContact O-CA 3.33Å; M93-L97 PolarHBondContact O-N 3.24Å; M93-L98 HydrophobicContact CE-CB 4.4Å; M93-L98 PolarHBondContact O-N 3.13Å; M93-E100 HydrophobicContact CE-CG 4.02Å
94S90.8Very high91.8Very high52 Ų5227.9 Ų27.936%0.36417%0.167SC..Hα-helixtrans-64.5-40.1178.1-61.30000112.4H90 W91 L92 L97H90-S94 WeakPolarHBondContact O-CB 3.4Å; H90-S94 PolarHBondContact O-N 2.89Å; H90-S94 PolarHBondContact O-OG 2.9Å; W91-S94 WeakPolarHBondContact O-CB 3.27Å; W91-S94 PolarHBondContact O-N 3.39Å; L92-S94 VanDerWaalsContact C-N 3.28Å; L92-S94 PolarHBondContact O-N 3.06Å; S94-L97 WeakPolarHBondContact O-CD2 3.31Å; S94-L97 PolarHBondContact O-N 3.1Å
95N91.5Very high91.9Very high23 Ų2329.1 Ų29.112%0.12316%0.162CC..Hα-helixtrans-63.6-44.3176.2-74.5-12.7000112R70 T72 W91 L92 L97 M151R70-N95 WeakPolarHBondContact CD-O 3.43Å; R70-N95 PolarHBondContact NH1-O 2.89Å; T72-N95 HydrophobicContact CG2-CB 4.01Å; W91-N95 VanDerWaalsContact CZ3-ND2 3.34Å; W91-N95 WeakPolarHBondContact CZ3-ND2 3.29Å; W91-N95 PolarHBondContact O-N 3.05Å; L92-N95 PolarHBondContact O-N 3.07Å; N95-L97 PolarHBondContact O-N 3.32Å; N95-M151 PolarHBondContact ND2-N 2.76Å; N95-M151 VanDerWaalsContact ND2-N 3.2Å; N95-M151 PolarHBondContact ND2-O 3.02Å; N95-M151 WeakPolarHBondContact OD1-CB 3.32Å; N95-M151 PolarHBondContact OD1-N 3.27Å; N95-M151 PolarHBondContact OD1-O 2.97Å
96L91.1Very high92Very high0 Ų027.7 Ų27.70%016%0.155CC..Hα-helixtrans-76.5-10.4178.1-68174.1000113.5I60 N62 R70 T72 L92 M93 L98I60-L96 HydrophobicContact CB-CD1 4.1Å; I60-L96 HydrophobicContact CG2-CD1 3.5Å; N62-L96 PolarHBondContact ND2-O 3.41Å; R70-L96 HydrophobicContact CB-CD2 4.28Å; R70-L96 WeakPolarHBondContact O-CD2 3.38Å; T72-L96 HydrophobicContact CG2-CD2 3.76Å; T72-L96 HydrophobicContact CG2-CG 3.91Å; L92-L96 HydrophobicContact CD2-CD1 3.63Å; L92-L96 HydrophobicContact CD2-CG 4.48Å; L92-L96 PolarHBondContact O-N 2.89Å; L92-L96 VanDerWaalsContact O-N 3.12Å; M93-L96 CarbonylContact O-C 3.56Å; M93-L96 PolarHBondContact O-N 3.03Å; L96-L98 HydrophobicContact CB-CB 4.42Å; L96-L98 HydrophobicContact CB-CD1 3.72Å; L96-L98 HydrophobicContact CB-CG 3.79Å; L96-L98 HydrophobicContact CD1-CD1 3.55Å; L96-L98 HydrophobicContact CG-CD1 4.28Å; L96-L98 PolarHBondContact O-N 3.3Å
97L91Very high92Very high84 Ų8429.5 Ų29.544%0.4416%0.164SC..THydrogen-bonded Turntrans5040.9-168.6-55.4171000111.9V67 R70 M93 S94 N95V67-L97 HydrophobicContact CG1-CB 4.01Å; V67-L97 HydrophobicContact CG1-CD1 3.83Å; V67-L97 HydrophobicContact CG1-CG 4.31Å; V67-L97 HydrophobicContact CG2-CB 4.07Å; V67-L97 HydrophobicContact CG2-CD1 4.34Å; R70-L97 VanDerWaalsContact NH1-CD1 3.34Å; M93-L97 WeakPolarHBondContact O-CA 3.33Å; M93-L97 PolarHBondContact O-N 3.24Å; S94-L97 WeakPolarHBondContact O-CD2 3.31Å; S94-L97 PolarHBondContact O-N 3.1Å; N95-L97 PolarHBondContact O-N 3.32Å
98L89.6Confident92Very high8 Ų829.6 Ų29.64%0.04217%0.166CC..PPolyproline II helixtrans-82.8135.5175.1-78.5166.8000109.8C13 N62 L88 M93 L96 A104C13-L98 HydrophobicContact CB-CD1 4.34Å; N62-L98 HydrophobicContact CB-CD2 4.1Å; N62-L98 HydrophobicContact CB-CG 4.29Å; N62-L98 VanDerWaalsContact OD1-CD2 3.26Å; N62-L98 WeakPolarHBondContact OD1-CD2 3.05Å; L88-L98 HydrophobicContact CD1-CD1 4.09Å; M93-L98 HydrophobicContact CE-CB 4.4Å; M93-L98 PolarHBondContact O-N 3.13Å; L96-L98 HydrophobicContact CB-CB 4.42Å; L96-L98 HydrophobicContact CB-CD1 3.72Å; L96-L98 HydrophobicContact CB-CG 3.79Å; L96-L98 HydrophobicContact CD1-CD1 3.55Å; L96-L98 HydrophobicContact CG-CD1 4.28Å; L96-L98 PolarHBondContact O-N 3.3Å; L98-A104 HydrophobicContact CD1-CB 3.93Å; L98-A104 HydrophobicContact CD2-CB 4.45Å
99C89.8Confident91.9Very high49 Ų4931.1 Ų31.133%0.33118%0.175SC..PPolyproline II helixtrans-87.3158.1165.5-64.60000110.1G101 G102 C276C99-G101 PolarHBondContact O-N 2.9Å; C99-G102 WeakPolarHBondContact O-CA 3.38Å; C99-G102 PolarHBondContact O-N 3.48Å; C99-C276 PolarHBondContact SG-SG 3.11Å
100E90.9Very high91.8Very high71 Ų7137.9 Ų37.933%0.33221%0.211SC..THydrogen-bonded Turntrans-59.5129.3174.1-66.4172.9-176.400110.2Y14 M18 M93 G102 Y274Y14-E100 HydrophobicContact CD1-CB 4.13Å; Y14-E100 HydrophobicContact CE1-CB 4.48Å; M18-E100 WeakPolarHBondContact CE-OE2 3.45Å; M93-E100 HydrophobicContact CE-CG 4.02Å; E100-G102 VanDerWaalsContact C-N 3.29Å; E100-Y274 WeakPolarHBondContact OE1-CE2 3.41Å; E100-Y274 PolarHBondContact OE1-OH 2.53Å
101G91Very high91.9Very high24 Ų2436.5 Ų36.525%0.24721%0.206CC..THydrogen-bonded Turntrans83.9-3.4-172.400000114.9C13 C99C13-G101 PolarHBondContact O-N 3.26Å; C99-G101 PolarHBondContact O-N 2.9Å
102G91.2Very high92Very high22 Ų2238.3 Ų38.323%0.22722%0.22CC..EExtended strand (participates in β ladder)trans-63145.8174.700000112.4C13 C99 E100C13-G102 PolarHBondContact N-O 3.49Å; C99-G102 WeakPolarHBondContact O-CA 3.38Å; C99-G102 PolarHBondContact O-N 3.48Å; E100-G102 VanDerWaalsContact C-N 3.29Å
103L92.5Very high92Very high83 Ų8343.7 Ų43.744%0.43525%0.247SC..EExtended strand (participates in β ladder)trans-84.5129.3177.1-70.6170000110.4Y11 R12 L63Y11-L103 WeakPolarHBondContact O-CA 3.47Å; R12-L103 HydrophobicContact CG-CD2 3.72Å; L63-L103 HydrophobicContact CD1-CB 4.02Å; L63-L103 PolarHBondContact N-O 2.96Å
104A93.3Very high92.1Very high0 Ų043.8 Ų43.80%025%0.248CC..EExtended strand (participates in β ladder)trans-125.7144.7170.200000110.7E10 Y11 C13 I60 T61 L98E10-A104 WeakPolarHBondContact CA-O 3.42Å; Y11-A104 PolarHBondContact N-O 3.04Å; Y11-A104 PolarHBondContact O-N 2.8Å; C13-A104 WeakPolarHBondContact SG-CB 3.33Å; I60-A104 HydrophobicContact CG2-CB 3.71Å; T61-A104 WeakPolarHBondContact O-CA 3.49Å; L98-A104 HydrophobicContact CD1-CB 3.93Å; L98-A104 HydrophobicContact CD2-CB 4.45Å
105K93.6Very high92.2Very high58 Ų5845.3 Ų45.325%0.25226%0.255SS..EExtended strand (participates in β ladder)trans-87.9124.7174.2-169.9-175-170-166.80109.2I8 I60 T61 L63 E107I8-K105 HydrophobicContact CG2-CD 4.32Å; I8-K105 HydrophobicContact CG2-CG 4.12Å; I60-K105 CarbonylContact C-O 3.6Å; I60-K105 WeakPolarHBondContact CA-O 3.37Å; T61-K105 PolarHBondContact N-O 3.33Å; T61-K105 PolarHBondContact O-N 3.42Å; L63-K105 HydrophobicContact CD1-CB 4.28Å; L63-K105 HydrophobicContact CD2-CB 4.01Å; L63-K105 HydrophobicContact CG-CB 4.09Å; K105-E107 HydrophobicContact CD-CG 4.2Å; K105-E107 WeakPolarHBondContact CD-OE1 3.49Å; K105-E107 WeakPolarHBondContact CE-OE1 3.35Å; K105-E107 HydrophobicContact CG-CG 4.12Å; K105-E107 IonicContact NZ-OE1 3.14Å; K105-E107 PolarHBondContact NZ-OE1 3.36Å
106I94.1Very high92.3Very high0 Ų045.4 Ų45.40%025%0.254CS..EExtended strand (participates in β ladder)trans-111.1118.4177.8-54.2-166.9000108.2I8 A9 Y11 L39 F58 K59 I60 C86I8-I106 WeakPolarHBondContact CA-O 3.19Å; A9-I106 PolarHBondContact N-O 2.92Å; A9-I106 PolarHBondContact O-N 2.83Å; Y11-I106 HydrophobicContact CD2-CB 4.28Å; Y11-I106 HydrophobicContact CD2-CD1 3.6Å; Y11-I106 HydrophobicContact CD2-CG1 3.97Å; Y11-I106 HydrophobicContact CE2-CD1 4.36Å; Y11-I106 HydrophobicContact CG-CD1 4.39Å; L39-I106 HydrophobicContact CD2-CD1 3.66Å; F58-I106 HydrophobicContact CB-CG2 3.69Å; F58-I106 HydrophobicContact CD1-CG2 3.66Å; F58-I106 HydrophobicContact CG-CG2 3.79Å; K59-I106 WeakPolarHBondContact O-CA 3.37Å; I60-I106 HydrophobicContact CD1-CD1 4.38Å; I60-I106 HydrophobicContact CG1-CD1 4.46Å; I60-I106 HydrophobicContact CG1-CG1 4.21Å; C86-I106 HydrophobicContact CB-CD1 4.25Å
107E92.9Very high92.5Very high39 Ų3945.5 Ų45.518%0.18226%0.255CS..EExtended strand (participates in β ladder)trans-118.2134.1-179.7-52.2-174.414800110.1Y7 I8 F58 K59 K105 V109Y7-E107 CarbonylContact O-C 3.55Å; Y7-E107 WeakPolarHBondContact O-CA 3.38Å; I8-E107 HydrophobicContact CG1-CB 4.39Å; I8-E107 HydrophobicContact CG1-CG 4.05Å; I8-E107 HydrophobicContact CG2-CG 4.35Å; F58-E107 CarbonylContact C-O 3.59Å; F58-E107 VanDerWaalsContact CA-O 3.24Å; F58-E107 WeakPolarHBondContact CA-O 3.26Å; K59-E107 PolarHBondContact N-O 3.2Å; K59-E107 PolarHBondContact O-N 3.42Å; K105-E107 HydrophobicContact CD-CG 4.2Å; K105-E107 WeakPolarHBondContact CD-OE1 3.49Å; K105-E107 WeakPolarHBondContact CE-OE1 3.35Å; K105-E107 HydrophobicContact CG-CG 4.12Å; K105-E107 IonicContact NZ-OE1 3.14Å; K105-E107 PolarHBondContact NZ-OE1 3.36Å; E107-V109 PolarHBondContact O-N 2.9Å
108L93.2Very high92.6Very high27 Ų2743 Ų4314%0.14124%0.24CC..EExtended strand (participates in β ladder)trans-71129.4171.4177.976.5000110Y7 L47 V52 L57 F58Y7-L108 PolarHBondContact O-N 3.26Å; L47-L108 HydrophobicContact CD2-CD1 3.9Å; L47-L108 HydrophobicContact CD2-CD2 3.94Å; L47-L108 HydrophobicContact CD2-CG 4.36Å; V52-L108 HydrophobicContact CB-CD2 4.41Å; V52-L108 HydrophobicContact CG1-CD1 4.12Å; V52-L108 HydrophobicContact CG1-CD2 4.07Å; V52-L108 HydrophobicContact CG2-CD2 3.48Å; V52-L108 VanDerWaalsContact CG2-CD2 3.48Å; L57-L108 WeakPolarHBondContact O-CD1 3.46Å; F58-L108 HydrophobicContact CD1-CB 4.39Å; F58-L108 HydrophobicContact CD1-CD1 4.42Å; F58-L108 HydrophobicContact CE1-CB 4.27Å; F58-L108 HydrophobicContact CE1-CD1 3.98Å; F58-L108 HydrophobicContact CZ-CD1 4.37Å
109V92.1Very high92.8Very high33 Ų3342.6 Ų42.620%0.224%0.238CC..EExtended strand (participates in β ladder)trans-136.4148.4179.7-65.70000111.2L57 K59 E107 L111L57-V109 PolarHBondContact O-N 2.84Å; K59-V109 HydrophobicContact CB-CG1 3.84Å; K59-V109 HydrophobicContact CB-CG2 4.05Å; E107-V109 PolarHBondContact O-N 2.9Å; V109-L111 HydrophobicContact CG2-CD2 4.38Å; V109-L111 HydrophobicContact CG2-CG 4.33Å
110N91.1Very high92.9Very high142 Ų14244.2 Ų44.276%0.75924%0.237SC*.  trans-101.7123.2170.4-67.6-25000108.5
111L92.6Very high92.9Very high33 Ų3340.9 Ų40.917%0.17322%0.222CC..  trans-108.8143.9179.2-61.7178.6000110.4L57 H73 V109 C145 A173L57-L111 HydrophobicContact CD1-CB 3.94Å; L57-L111 HydrophobicContact CD1-CD1 4.14Å; L57-L111 HydrophobicContact CD1-CG 4.15Å; H73-L111 HydrophobicContact CB-CD1 3.97Å; V109-L111 HydrophobicContact CG2-CD2 4.38Å; V109-L111 HydrophobicContact CG2-CG 4.33Å; L111-C145 HydrophobicContact CD1-CB 4.11Å; L111-A173 HydrophobicContact CD1-CB 4.16Å; L111-A173 HydrophobicContact CD2-CB 3.75Å
112P94.1Very high92.7Very high55 Ų5543.5 Ų43.536%0.35723%0.228SC..PPolyproline II helixtrans-67.4153.2172.430.1-34.5000110.8G114 P170 A171 V174 S175P112-G114 PolarHBondContact O-N 3.39Å; P112-P170 HydrophobicContact CB-CG 3.84Å; P112-P170 HydrophobicContact CG-CG 3.92Å; P112-A171 HydrophobicContact CG-CB 3.81Å; P112-V174 WeakPolarHBondContact O-CA 3.2Å; P112-S175 PolarHBondContact O-N 3.5Å
113I94Very high92.4Very high114 Ų11444.7 Ų44.759%0.58523%0.229SC*.BIsolated β-bridgetrans-65.6130.6174.3-59.8172.2000109P170 C179I113-P170 WeakPolarHBondContact O-CD 3.38Å; I113-C179 HydrophobicContact CG2-CB 3.43Å; I113-C179 VanDerWaalsContact CG2-CB 3.43Å
114G93.1Very high91.8Very high2 Ų247.5 Ų47.52%0.02123%0.234CC..PPolyproline II helixtrans-69.5141.6177.300000111.5P112 R169 S175 M181P112-G114 PolarHBondContact O-N 3.39Å; G114-R169 WeakPolarHBondContact CA-O 3.47Å; G114-S175 PolarHBondContact N-O 3.12Å; G114-M181 WeakPolarHBondContact O-CG 3.41Å
115T93.8Very high91.1Very high84 Ų8451.8 Ų51.852%0.51525%0.253SS..  trans-116.7-26.9174.956.80000112.6R169 N182T115-R169 PolarHBondContact N-O 3.32Å; T115-R169 PolarHBondContact OG1-O 3.44Å; T115-N182 PolarHBondContact O-N 2.93Å
116Y94.2Very high90.3Very high26 Ų2649.6 Ų49.610%0.10224%0.243CC..EExtended strand (participates in β ladder)trans-146.4140.2-178171.2-89.7000110.5K118 E167 L168 R169 N182 E184Y116-K118 HydrophobicContact CE1-CB 3.93Å; Y116-E167 HydrophobicContact CE1-CB 4.41Å; Y116-L168 WeakPolarHBondContact O-CA 3.41Å; Y116-R169 HydrophobicContact CD1-CG 4.04Å; Y116-R169 PolarHBondContact O-N 3.41Å; Y116-N182 WeakPolarHBondContact CA-O 3.42Å; Y116-N182 HydrophobicContact CD2-CB 4.3Å; Y116-E184 HydrophobicContact CE2-CB 3.8Å; Y116-E184 WeakPolarHBondContact CE2-OE2 3.47Å; Y116-E184 PolarHBondContact OH-OE2 3.32Å
117V94.1Very high89.5Confident1 Ų153.2 Ų53.21%0.00627%0.267CS..EExtended strand (participates in β ladder)trans-136.5134.8171.959.80000110.3L119 L146 V165 E167 L168 M181 N182 V183 E184V117-L119 HydrophobicContact CG2-CD2 3.52Å; V117-L119 HydrophobicContact CG2-CG 3.76Å; V117-L146 HydrophobicContact CG2-CD1 4.04Å; V117-V165 HydrophobicContact CG2-CG1 4.37Å; V117-E167 WeakPolarHBondContact CA-O 3.25Å; V117-L168 HydrophobicContact CB-CD2 3.79Å; V117-L168 HydrophobicContact CG2-CD2 3.51Å; V117-M181 HydrophobicContact CB-CE 3.77Å; V117-M181 HydrophobicContact CG1-CE 3.97Å; V117-N182 PolarHBondContact N-O 2.94Å; V117-V183 HydrophobicContact CG1-CB 4.26Å; V117-V183 HydrophobicContact CG1-CG1 4.2Å; V117-V183 HydrophobicContact CG1-CG2 3.87Å; V117-E184 PolarHBondContact O-N 3.32Å
118K93.6Very high88.9Confident31 Ų3161.2 Ų61.214%0.13530%0.296CS..EExtended strand (participates in β ladder)trans-107.5113.7170.1-168.1171.9173.9-177.20109.6Y116 Q166 E167 E184 E186Y116-K118 HydrophobicContact CE1-CB 3.93Å; K118-Q166 PolarHBondContact O-N 2.97Å; K118-E167 HydrophobicContact CB-CB 3.91Å; K118-E167 PolarHBondContact N-O 3.21Å; K118-E167 PolarHBondContact O-N 3.22Å; K118-E184 WeakPolarHBondContact CA-O 3.45Å; K118-E184 HydrophobicContact CG-CB 4.44Å; K118-E186 WeakPolarHBondContact CE-OE2 3.4Å; K118-E186 IonicContact NZ-OE2 2.62Å; K118-E186 PolarHBondContact NZ-OE2 2.91Å
119L93.1Very high88.3Confident0 Ų061.2 Ų61.20%030%0.296CS..EExtended strand (participates in β ladder)trans-108.4133.9-178.3-62.9179.4000110.8V117 L136 I152 F163 V165 V183 E184 F185 E186V117-L119 HydrophobicContact CG2-CD2 3.52Å; V117-L119 HydrophobicContact CG2-CG 3.76Å; L119-L136 HydrophobicContact CD1-CD1 4.32Å; L119-I152 HydrophobicContact CD2-CD1 4.42Å; L119-F163 HydrophobicContact CB-CD1 4.49Å; L119-V165 HydrophobicContact CD2-CB 4.38Å; L119-V165 HydrophobicContact CD2-CG2 3.86Å; L119-V183 HydrophobicContact CD1-CG1 4.2Å; L119-E184 PolarHBondContact N-O 3.38Å; L119-F185 WeakPolarHBondContact O-CA 3.39Å; L119-E186 PolarHBondContact O-N 3.11Å
120R91.7Very high87.8Confident83 Ų8364.5 Ų64.531%0.31332%0.32SS..EExtended strand (participates in β ladder)trans-108107.9172.6175.8164.4177156.3-3.5110.2F164 E186R120-F164 HydrophobicContact CB-CB 4.33Å; R120-F164 PolarHBondContact N-O 2.73Å; R120-F164 PolarHBondContact O-N 2.98Å; R120-E186 WeakPolarHBondContact CG-O 3.48Å; R120-E186 IonicContact NH1-OE1 3.6Å; R120-E186 PolarHBondContact NH1-OE1 3Å
121P91.4Very high87.6Confident1 Ų162.7 Ų62.71%0.00631%0.31CS..EExtended strand (participates in β ladder)trans-67.3137.3175.929.1-35.2000110.7F126 F163 T187 W191P121-F126 HydrophobicContact CB-CB 3.83Å; P121-F126 HydrophobicContact CB-CD1 4.03Å; P121-F126 HydrophobicContact CB-CD2 4.22Å; P121-F126 HydrophobicContact CB-CG 3.76Å; P121-F126 HydrophobicContact CG-CB 4.29Å; P121-F126 HydrophobicContact CG-CD1 3.67Å; P121-F126 HydrophobicContact CG-CE1 4.09Å; P121-F126 HydrophobicContact CG-CG 3.95Å; P121-F163 HydrophobicContact CB-CD1 3.87Å; P121-F163 HydrophobicContact CB-CE1 3.75Å; P121-T187 HydrophobicContact CG-CG2 4.21Å; P121-W191 HydrophobicContact CB-CH2 3.84Å; P121-W191 HydrophobicContact CB-CZ3 4.04Å; P121-W191 HydrophobicContact CG-CH2 3.84Å; P121-W191 HydrophobicContact CG-CZ3 3.64Å; P121-W191 VanDerWaalsContact O-CH2 3.29Å; P121-W191 WeakPolarHBondContact O-CH2 3.07Å
122Q87.8Confident87.3Confident79 Ų7962.6 Ų62.637%0.36931%0.312SS..  trans-90.9-26.1175.2-63.3-60.9-34.300112.4E162 W191Q122-E162 HydrophobicContact CB-CB 4.24Å; Q122-E162 HydrophobicContact CG-CB 4.37Å; Q122-E162 PolarHBondContact N-O 2.85Å; Q122-W191 WeakPolarHBondContact O-CZ2 3.44Å
123N84.3Confident86.9Confident47 Ų4763.1 Ų63.125%0.25132%0.317SS..SBendtrans-100.2125.7-174.4-70.9-3.3000111.8F125 F126 V160 W191N123-F125 HydrophobicContact CB-CD2 4.33Å; N123-F125 PolarHBondContact O-N 3.44Å; N123-F126 WeakPolarHBondContact O-CB 2.92Å; N123-F126 PolarHBondContact O-N 3.42Å; N123-V160 PolarHBondContact ND2-O 2.84Å; N123-W191 WeakPolarHBondContact O-CH2 3.06Å
124R80.1Confident86.5Confident143 Ų14360.3 Ų60.354%0.5431%0.311SS..G310 helixtrans-56-18174.3-73.4-176.2177.7-176.7-1.1114.1F126 C127 W191R124-F126 PolarHBondContact O-N 3.26Å; R124-C127 PolarHBondContact O-N 3.43Å; R124-W191 HydrophobicContact CG-CD2 4.03Å; R124-W191 HydrophobicContact CG-CG 4.21Å; R124-W191 HydrophobicContact CG-CZ2 4.03Å
125F78.1Confident86.2Confident90 Ų9061 Ų6140%0.39531%0.314SS..G310 helixtrans-57.8-25.4173.8-69.2-67.9000112.8N123 C127 R128 K159 M161N123-F125 HydrophobicContact CB-CD2 4.33Å; N123-F125 PolarHBondContact O-N 3.44Å; F125-C127 VanDerWaalsContact C-N 3.28Å; F125-C127 PolarHBondContact O-N 3.09Å; F125-R128 PolarHBondContact O-N 3.47Å; F125-R128 VanDerWaalsContact O-N 3.07Å; F125-K159 HydrophobicContact CD1-CD 4.45Å; F125-M161 HydrophobicContact CB-SD 4.41Å
126F78Confident85.9Confident12 Ų1257 Ų575%0.05329%0.29CS..G310 helixtrans-58-38175.8-175.8-100.7000112.8P121 N123 R124 R128 L129 P132 L136 F163 F185 T187 W191P121-F126 HydrophobicContact CB-CB 3.83Å; P121-F126 HydrophobicContact CB-CD1 4.03Å; P121-F126 HydrophobicContact CB-CD2 4.22Å; P121-F126 HydrophobicContact CB-CG 3.76Å; P121-F126 HydrophobicContact CG-CB 4.29Å; P121-F126 HydrophobicContact CG-CD1 3.67Å; P121-F126 HydrophobicContact CG-CE1 4.09Å; P121-F126 HydrophobicContact CG-CG 3.95Å; N123-F126 WeakPolarHBondContact O-CB 2.92Å; N123-F126 PolarHBondContact O-N 3.42Å; R124-F126 PolarHBondContact O-N 3.26Å; F126-R128 PolarHBondContact O-N 3.06Å; F126-R128 VanDerWaalsContact O-N 3.12Å; F126-L129 HydrophobicContact CD2-CD1 3.68Å; F126-L129 HydrophobicContact CE2-CD1 4.13Å; F126-L129 HydrophobicContact CG-CD1 4.42Å; F126-L129 WeakPolarHBondContact O-CB 2.88Å; F126-L129 WeakPolarHBondContact O-CG 3.15Å; F126-L129 PolarHBondContact O-N 3.17Å; F126-L129 VanDerWaalsContact O-N 3.11Å; F126-P132 HydrophobicContact CD2-CB 4.34Å; F126-P132 HydrophobicContact CE1-CB 4.09Å; F126-P132 HydrophobicContact CE2-CB 3.44Å; F126-P132 VanDerWaalsContact CE2-CB 3.44Å; F126-P132 HydrophobicContact CZ-CB 3.31Å; F126-P132 HydrophobicContact CZ-CG 4.15Å; F126-L136 HydrophobicContact CE2-CD1 3.98Å; F126-F163 AromaticContact CD2-CE1 3.58Å; F126-F163 HydrophobicContact CD2-CE1 3.58Å; F126-F163 AromaticContact CD2-CZ 3.8Å; F126-F163 HydrophobicContact CD2-CZ 3.8Å; F126-F163 AromaticContact CE2-CE1 3.7Å; F126-F163 HydrophobicContact CE2-CE1 3.7Å; F126-F163 HydrophobicContact CE2-CZ 4.13Å; F126-F163 HydrophobicContact CG-CE1 4.42Å; F126-F185 HydrophobicContact CE1-CB 4.46Å; F126-F185 HydrophobicContact CE1-CD1 4.23Å; F126-F185 HydrophobicContact CE1-CG 4.17Å; F126-F185 HydrophobicContact CE2-CD1 4.37Å; F126-F185 HydrophobicContact CE2-CE1 4.26Å; F126-F185 AromaticContact CZ-CD1 3.55Å; F126-F185 HydrophobicContact CZ-CD1 3.55Å; F126-F185 HydrophobicContact CZ-CD2 4.19Å; F126-F185 AromaticContact CZ-CE1 3.74Å; F126-F185 HydrophobicContact CZ-CE1 3.74Å; F126-F185 HydrophobicContact CZ-CE2 4.32Å; F126-F185 AromaticContact CZ-CG 3.8Å; F126-F185 HydrophobicContact CZ-CG 3.8Å; F126-F185 HydrophobicContact CZ-CZ 4.12Å; F126-T187 HydrophobicContact CD1-CG2 4.28Å; F126-T187 HydrophobicContact CE1-CG2 4.3Å; F126-W191 HydrophobicContact CB-CZ3 4.16Å
127C77.1Confident85.5Confident76 Ų7660.7 Ų60.751%0.51431%0.308SS..G310 helixtrans-64.4-17.5177.9-58.50000113.9R124 F125R124-C127 PolarHBondContact O-N 3.43Å; F125-C127 VanDerWaalsContact C-N 3.28Å; F125-C127 PolarHBondContact O-N 3.09Å
128R78.8Confident85.2Confident207 Ų20765.6 Ų65.678%0.78133%0.334SS*.G310 helixtrans-91.4-2179.9-60.3-175.6-180-179.6-0.3112.7F125 F126F125-R128 PolarHBondContact O-N 3.47Å; F125-R128 VanDerWaalsContact O-N 3.07Å; F126-R128 PolarHBondContact O-N 3.06Å; F126-R128 VanDerWaalsContact O-N 3.12Å
129L81.7Confident84.9Confident27 Ų2766.8 Ų66.814%0.14134%0.339CS..  trans-76.4128.5175.8-61.9174.8000109F126 P132 Y156 M161F126-L129 HydrophobicContact CD2-CD1 3.68Å; F126-L129 HydrophobicContact CE2-CD1 4.13Å; F126-L129 HydrophobicContact CG-CD1 4.42Å; F126-L129 WeakPolarHBondContact O-CB 2.88Å; F126-L129 WeakPolarHBondContact O-CG 3.15Å; F126-L129 PolarHBondContact O-N 3.17Å; F126-L129 VanDerWaalsContact O-N 3.11Å; L129-P132 HydrophobicContact CB-CB 4.34Å; L129-P132 HydrophobicContact CD1-CB 4.33Å; L129-Y156 HydrophobicContact CD2-CD1 3.46Å; L129-Y156 VanDerWaalsContact CD2-CD1 3.46Å; L129-Y156 HydrophobicContact CD2-CE1 3.27Å; L129-Y156 HydrophobicContact CD2-CG 4.48Å; L129-M161 HydrophobicContact CD1-CE 4.09Å; L129-M161 HydrophobicContact CD1-SD 4.38Å
130S81.6Confident84.7Confident101 Ų10167.7 Ų67.771%0.70634%0.343SS*.SBendtrans-64-45.6173.848.50000111.4
131N86.8Confident84.5Confident104 Ų10471.7 Ų71.756%0.55636%0.359SS*.  trans-129.678.1-176.6-65.9-25.7000110.7S133 A134 V135N131-S133 VanDerWaalsContact C-N 3.33Å; N131-S133 PolarHBondContact O-N 3.27Å; N131-A134 HydrophobicContact CB-CB 4.19Å; N131-A134 PolarHBondContact O-N 3.49Å; N131-V135 WeakPolarHBondContact O-CG2 3.32Å; N131-V135 PolarHBondContact O-N 3.06Å
132P85.9Confident84.4Confident31 Ų3175.2 Ų75.220%0.20138%0.375CS..Hα-helixtrans-60.4-39.4-176.821.8-32000113.2F126 L129 A134 V135 L136 F185F126-P132 HydrophobicContact CD2-CB 4.34Å; F126-P132 HydrophobicContact CE1-CB 4.09Å; F126-P132 HydrophobicContact CE2-CB 3.44Å; F126-P132 VanDerWaalsContact CE2-CB 3.44Å; F126-P132 HydrophobicContact CZ-CB 3.31Å; F126-P132 HydrophobicContact CZ-CG 4.15Å; L129-P132 HydrophobicContact CB-CB 4.34Å; L129-P132 HydrophobicContact CD1-CB 4.33Å; P132-A134 PolarHBondContact O-N 3.04Å; P132-V135 PolarHBondContact O-N 3.37Å; P132-L136 PolarHBondContact O-N 3.09Å; P132-L136 VanDerWaalsContact O-N 3.1Å; P132-F185 HydrophobicContact CB-CE2 4.49Å
133S84.8Confident84.6Confident66 Ų6671.6 Ų71.646%0.46236%0.358SS..Hα-helixtrans-62.3-44.9-178.7-48.90000112.5N131 L136 E137N131-S133 VanDerWaalsContact C-N 3.33Å; N131-S133 PolarHBondContact O-N 3.27Å; S133-L136 PolarHBondContact O-N 2.73Å; S133-E137 WeakPolarHBondContact O-CB 3.43Å; S133-E137 PolarHBondContact O-N 3.46Å
134A86.5Confident84.9Confident55 Ų5569.6 Ų69.646%0.45535%0.348SS..Hα-helixtrans-67-39.5-178.600000112.4N131 P132 L136 E137 L138N131-A134 HydrophobicContact CB-CB 4.19Å; N131-A134 PolarHBondContact O-N 3.49Å; P132-A134 PolarHBondContact O-N 3.04Å; A134-L136 VanDerWaalsContact C-N 3.32Å; A134-L136 PolarHBondContact O-N 3.16Å; A134-E137 PolarHBondContact O-N 2.86Å; A134-L138 WeakPolarHBondContact O-CB 3.39Å; A134-L138 PolarHBondContact O-N 3.47Å
135V86.5Confident85.6Confident16 Ų1663 Ų6310%0.09732%0.323CS..Hα-helixtrans-62.3-43.9176.3172.40000110.6N131 P132 K139 Y156N131-V135 WeakPolarHBondContact O-CG2 3.32Å; N131-V135 PolarHBondContact O-N 3.06Å; P132-V135 PolarHBondContact O-N 3.37Å; V135-K139 WeakPolarHBondContact O-CB 3.38Å; V135-K139 VanDerWaalsContact O-CG 3.28Å; V135-K139 WeakPolarHBondContact O-CG 3.17Å; V135-K139 PolarHBondContact O-N 3.44Å; V135-Y156 HydrophobicContact CB-CD2 4.35Å; V135-Y156 HydrophobicContact CB-CE2 4.27Å; V135-Y156 HydrophobicContact CG1-CD1 4.45Å; V135-Y156 HydrophobicContact CG1-CD2 3.33Å; V135-Y156 HydrophobicContact CG1-CE2 3.72Å; V135-Y156 HydrophobicContact CG1-CG 3.74Å; V135-Y156 HydrophobicContact CG2-CD2 4.06Å; V135-Y156 HydrophobicContact CG2-CE1 4.4Å; V135-Y156 HydrophobicContact CG2-CE2 3.5Å
136L87.2Confident86.4Confident1 Ų158.8 Ų58.81%0.00531%0.305CS..Hα-helixtrans-70.5-40.6179.1-75.1172.9000112.1L119 F126 P132 S133 A134 L138 K139 L140 I154 F163 F185L119-L136 HydrophobicContact CD1-CD1 4.32Å; F126-L136 HydrophobicContact CE2-CD1 3.98Å; P132-L136 PolarHBondContact O-N 3.09Å; P132-L136 VanDerWaalsContact O-N 3.1Å; S133-L136 PolarHBondContact O-N 2.73Å; A134-L136 VanDerWaalsContact C-N 3.32Å; A134-L136 PolarHBondContact O-N 3.16Å; L136-L138 VanDerWaalsContact C-N 3.29Å; L136-L138 PolarHBondContact O-N 3.17Å; L136-K139 PolarHBondContact O-N 3.39Å; L136-K139 VanDerWaalsContact O-N 3.16Å; L136-L140 HydrophobicContact CB-CD1 4.39Å; L136-L140 WeakPolarHBondContact O-CB 3.47Å; L136-L140 WeakPolarHBondContact O-CG 3.42Å; L136-L140 PolarHBondContact O-N 2.95Å; L136-I154 HydrophobicContact CD2-CD1 3.34Å; L136-F163 HydrophobicContact CD1-CE1 4.12Å; L136-F163 HydrophobicContact CD1-CZ 4.4Å; L136-F163 HydrophobicContact CD2-CD2 4.44Å; L136-F163 HydrophobicContact CD2-CE1 4.19Å; L136-F163 HydrophobicContact CD2-CE2 3.95Å; L136-F163 HydrophobicContact CD2-CZ 3.81Å; L136-F185 HydrophobicContact CD1-CD1 4.32Å; L136-F185 HydrophobicContact CD1-CE1 3.2Å; L136-F185 HydrophobicContact CD1-CZ 3.59Å
137E86.1Confident87.2Confident104 Ų10458.4 Ų58.449%0.48630%0.304SS..Hα-helixtrans-58.2-43.8175.1-165.3-160135.400111.4S133 A134 K139 R141S133-E137 WeakPolarHBondContact O-CB 3.43Å; S133-E137 PolarHBondContact O-N 3.46Å; A134-E137 PolarHBondContact O-N 2.86Å; E137-K139 PolarHBondContact O-N 3.07Å; E137-R141 WeakPolarHBondContact O-CG 3.41Å; E137-R141 IonicContact OE1-NH2 3.09Å; E137-R141 PolarHBondContact OE1-NH2 3.36Å
138L87.4Confident88.1Confident104 Ų10459.7 Ų59.755%0.54530%0.301SS..Hα-helixtrans-62.2-44.7176-175.371.3000111.6A134 L136A134-L138 WeakPolarHBondContact O-CB 3.39Å; A134-L138 PolarHBondContact O-N 3.47Å; L136-L138 VanDerWaalsContact C-N 3.29Å; L136-L138 PolarHBondContact O-N 3.17Å
139K88.3Confident88.8Confident56 Ų5651.7 Ų51.724%0.24328%0.283CS..Hα-helixtrans-79-33.6-174-70.1-73.4172.7170.80113.4V135 L136 E137 R141 H142 I154 E155V135-K139 WeakPolarHBondContact O-CB 3.38Å; V135-K139 VanDerWaalsContact O-CG 3.28Å; V135-K139 WeakPolarHBondContact O-CG 3.17Å; V135-K139 PolarHBondContact O-N 3.44Å; L136-K139 PolarHBondContact O-N 3.39Å; L136-K139 VanDerWaalsContact O-N 3.16Å; E137-K139 PolarHBondContact O-N 3.07Å; K139-R141 PolarHBondContact O-N 2.85Å; K139-H142 WeakPolarHBondContact O-CB 3.42Å; K139-H142 PolarHBondContact O-CD2 3.1Å; K139-H142 PolarHBondContact O-N 3.42Å; K139-I154 HydrophobicContact CB-CG2 3.47Å; K139-I154 VanDerWaalsContact CB-CG2 3.47Å; K139-I154 HydrophobicContact CD-CG2 4.06Å; K139-I154 HydrophobicContact CG-CG2 3.57Å; K139-E155 WeakPolarHBondContact CD-O 3.47Å; K139-E155 WeakPolarHBondContact CE-O 3.33Å; K139-E155 PolarHBondContact NZ-O 3.36Å
140L89.5Confident89.4Confident18 Ų1851 Ų519%0.09428%0.279CS..Hα-helixtrans-64.4-23.3177.3-74.9173.4000112.2L136 H142 F143 L146 I152 I154 I176 V183L136-L140 HydrophobicContact CB-CD1 4.39Å; L136-L140 WeakPolarHBondContact O-CB 3.47Å; L136-L140 WeakPolarHBondContact O-CG 3.42Å; L136-L140 PolarHBondContact O-N 2.95Å; L140-H142 PolarHBondContact O-N 3.45Å; L140-H142 VanDerWaalsContact O-N 3.14Å; L140-F143 HydrophobicContact CD2-CD2 4.42Å; L140-F143 WeakPolarHBondContact O-CA 3.34Å; L140-F143 WeakPolarHBondContact O-CB 3.47Å; L140-F143 PolarHBondContact O-N 2.88Å; L140-F143 VanDerWaalsContact O-O 3.13Å; L140-L146 HydrophobicContact CD2-CD1 4.45Å; L140-L146 HydrophobicContact CD2-CD2 4.44Å; L140-I152 HydrophobicContact CD2-CD1 4.16Å; L140-I154 HydrophobicContact CD2-CD1 4.42Å; L140-I176 HydrophobicContact CB-CD1 4.25Å; L140-I176 HydrophobicContact CD2-CD1 4.21Å; L140-V183 HydrophobicContact CD1-CG2 4.44Å
141R86.8Confident89.9Confident167 Ų16749.2 Ų49.263%0.6326%0.26SS*.THydrogen-bonded Turntrans-60-21.8171-67.8177.4-168.4-174.23.8113.7E137 K139 F143E137-R141 WeakPolarHBondContact O-CG 3.41Å; E137-R141 IonicContact OE1-NH2 3.09Å; E137-R141 PolarHBondContact OE1-NH2 3.36Å; K139-R141 PolarHBondContact O-N 2.85Å; R141-F143 VanDerWaalsContact C-N 3.27Å
142H88.5Confident90.2Very high76 Ų7644.4 Ų44.435%0.35223%0.234SC..THydrogen-bonded Turntrans-80.1-10.7173.9-62.9-81.1000113.1G35 K139 L140G35-H142 PolarHBondContact N-O 3.12Å; G35-H142 VanDerWaalsContact N-O 3.08Å; K139-H142 WeakPolarHBondContact O-CB 3.42Å; K139-H142 PolarHBondContact O-CD2 3.1Å; K139-H142 PolarHBondContact O-N 3.42Å; L140-H142 PolarHBondContact O-N 3.45Å; L140-H142 VanDerWaalsContact O-N 3.14Å
143F91.4Very high90.5Very high3 Ų343.4 Ų43.41%0.01323%0.229CC..BIsolated β-bridgetrans-98.9139.4175.4-67.1-101000109.5C33 W91 L140 R141 I152 I154 I176C33-F143 WeakPolarHBondContact O-CE2 3.32Å; C33-F143 WeakPolarHBondContact O-CZ 3.39Å; W91-F143 AromaticContact CE2-CE1 3.95Å; W91-F143 HydrophobicContact CH2-CE1 4.24Å; W91-F143 HydrophobicContact CZ2-CD1 4.09Å; W91-F143 AromaticContact CZ2-CE1 3.59Å; W91-F143 HydrophobicContact CZ2-CE1 3.59Å; L140-F143 HydrophobicContact CD2-CD2 4.42Å; L140-F143 WeakPolarHBondContact O-CA 3.34Å; L140-F143 WeakPolarHBondContact O-CB 3.47Å; L140-F143 PolarHBondContact O-N 2.88Å; L140-F143 VanDerWaalsContact O-O 3.13Å; R141-F143 VanDerWaalsContact C-N 3.27Å; F143-I152 HydrophobicContact CE1-CB 4.03Å; F143-I152 HydrophobicContact CE1-CG2 4.18Å; F143-I152 HydrophobicContact CZ-CB 4.37Å; F143-I154 HydrophobicContact CE2-CD1 4.48Å; F143-I154 HydrophobicContact CE2-CG1 3.94Å; F143-I154 HydrophobicContact CZ-CG1 4.12Å; F143-I176 HydrophobicContact CB-CD1 3.63Å; F143-I176 HydrophobicContact CB-CG1 4.4Å; F143-I176 WeakPolarHBondContact O-CG1 3.47Å
144A92.6Very high90.7Very high4 Ų440.3 Ų40.33%0.03321%0.207CC..SBendtrans-96.4-30.8177.200000112.4L57 S175 I176 I177L57-A144 HydrophobicContact CD2-CB 4.08Å; A144-S175 WeakPolarHBondContact O-CA 3.48Å; A144-S175 PolarHBondContact O-OG 3.02Å; A144-I176 PolarHBondContact O-N 3.37Å; A144-I177 HydrophobicContact CB-CD1 3.95Å; A144-I177 HydrophobicContact CB-CG1 4.11Å
145C93.9Very high90.8Very high4 Ų439.2 Ų39.23%0.02719%0.193CC..EExtended strand (participates in β ladder)trans-137.8155.1-176-54.50000110L57 H73 L111 V174L57-C145 VanDerWaalsContact CD2-SG 3.54Å; H73-C145 HydrophobicContact CB-CB 3.7Å; L111-C145 HydrophobicContact CD1-CB 4.11Å; C145-V174 VanDerWaalsContact CA-O 3.27Å; C145-V174 WeakPolarHBondContact CA-O 3.48Å
146L94.8Very high90.7Very high2 Ų241.7 Ų41.71%0.0120%0.201CC..EExtended strand (participates in β ladder)trans-127.3139.7163.4-64.6176.5000108.9V117 L140 I152 L168 A173 V174 I176V117-L146 HydrophobicContact CG2-CD1 4.04Å; L140-L146 HydrophobicContact CD2-CD1 4.45Å; L140-L146 HydrophobicContact CD2-CD2 4.44Å; L146-I152 HydrophobicContact CD2-CD1 4.05Å; L146-I152 HydrophobicContact CD2-CG2 4.16Å; L146-L168 HydrophobicContact CB-CD1 4.01Å; L146-L168 HydrophobicContact CB-CD2 3.98Å; L146-L168 HydrophobicContact CD1-CD2 4.21Å; L146-L168 WeakPolarHBondContact O-CD1 3.44Å; L146-A173 WeakPolarHBondContact O-CA 3.28Å; L146-V174 HydrophobicContact CB-CG2 4.37Å; L146-V174 PolarHBondContact N-O 3.36Å; L146-V174 PolarHBondContact O-N 3.45Å; L146-I176 HydrophobicContact CB-CG2 4.5Å; L146-I176 HydrophobicContact CD1-CD1 3.97Å; L146-I176 HydrophobicContact CD1-CG2 3.98Å; L146-I176 HydrophobicContact CD2-CD1 4.23Å; L146-I176 HydrophobicContact CG-CD1 3.76Å; L146-I176 HydrophobicContact CG-CG1 4.46Å; L146-I176 HydrophobicContact CG-CG2 4.02Å
147T95.1Very high90.6Very high4 Ų447.2 Ų47.23%0.02523%0.231CC..EExtended strand (participates in β ladder)trans-115.9141.7171-31.40000109.4F71 H73 G149 D150 V165 D172 A173F71-T147 HydrophobicContact CD2-CG2 4.38Å; F71-T147 HydrophobicContact CE2-CG2 3.88Å; H73-T147 PolarHBondContact N-OG1 2.64Å; H73-T147 VanDerWaalsContact N-OG1 3.09Å; H73-T147 WeakPolarHBondContact ND1-CG2 3.28Å; H73-T147 PolarHBondContact ND1-OG1 3.14Å; H73-T147 VanDerWaalsContact ND1-OG1 3.09Å; T147-G149 PolarHBondContact O-N 3.47Å; T147-D150 WeakPolarHBondContact CB-OD2 3.37Å; T147-D150 WeakPolarHBondContact O-CB 3.49Å; T147-D150 PolarHBondContact O-N 3.38Å; T147-D150 PolarHBondContact OG1-OD2 3.33Å; T147-V165 WeakPolarHBondContact O-CB 3.4Å; T147-V165 WeakPolarHBondContact O-CG1 3.3Å; T147-D172 CarbonylContact C-O 3Å; T147-D172 WeakPolarHBondContact CA-O 3.37Å; T147-A173 HydrophobicContact CG2-CB 4.27Å
148K95.2Very high90.5Very high104 Ų10448.7 Ų48.745%0.45224%0.242SC..THydrogen-bonded Turntrans-64.9131.5174.1-176.7-178.7178.1-179.60109.8D150 Q166 L168 D172K148-D150 VanDerWaalsContact C-N 3.35Å; K148-Q166 WeakPolarHBondContact CE-O 3.15Å; K148-Q166 WeakPolarHBondContact CG-O 3.28Å; K148-L168 HydrophobicContact CB-CD1 4.3Å; K148-D172 HydrophobicContact CB-CB 4.21Å; K148-D172 WeakPolarHBondContact CB-O 3.43Å; K148-D172 WeakPolarHBondContact CD-OD1 3.49Å; K148-D172 PolarHBondContact N-O 3.49Å; K148-D172 IonicContact NZ-OD1 2.95Å
149G93.3Very high90.4Very high39 Ų3948.7 Ų48.740%0.40224%0.237SC..THydrogen-bonded Turntrans89-5-177.100000114.7T147 F164 V165T147-G149 PolarHBondContact O-N 3.47Å; G149-F164 VanDerWaalsContact O-CE2 3.32Å; G149-F164 WeakPolarHBondContact O-CE2 3.48Å; G149-V165 PolarHBondContact N-O 2.84Å
150D94.1Very high90.4Very high12 Ų1249.6 Ų49.66%0.06425%0.247CC..  trans-73.8144.8175.1-74.3-9000111.1T72 T147 K148 I152 V165T72-D150 WeakPolarHBondContact CG2-OD1 3.47Å; T147-D150 WeakPolarHBondContact CB-OD2 3.37Å; T147-D150 WeakPolarHBondContact O-CB 3.49Å; T147-D150 PolarHBondContact O-N 3.38Å; T147-D150 PolarHBondContact OG1-OD2 3.33Å; K148-D150 VanDerWaalsContact C-N 3.35Å; D150-I152 HydrophobicContact CB-CG2 4.5Å; D150-V165 PolarHBondContact O-N 2.94Å
151M93.3Very high90.3Very high64 Ų6449 Ų4932%0.31524%0.244SC..EExtended strand (participates in β ladder)trans-99.5105.6166.6-170.3178.6-62.900108.4W91 N95 E162 F163W91-M151 VanDerWaalsContact CE3-O 3.22Å; N95-M151 PolarHBondContact ND2-N 2.76Å; N95-M151 VanDerWaalsContact ND2-N 3.2Å; N95-M151 PolarHBondContact ND2-O 3.02Å; N95-M151 WeakPolarHBondContact OD1-CB 3.32Å; N95-M151 PolarHBondContact OD1-N 3.27Å; N95-M151 PolarHBondContact OD1-O 2.97Å; M151-E162 HydrophobicContact CG-CB 4.05Å; M151-E162 HydrophobicContact CG-CG 4.48Å; M151-E162 HydrophobicContact SD-CB 4.12Å; M151-E162 HydrophobicContact SD-CG 4.28Å; M151-F163 CarbonylContact C-O 3.6Å; M151-F163 WeakPolarHBondContact CA-O 3.12Å
152I93.1Very high90.5Very high2 Ų243.9 Ų43.91%0.0123%0.227CC..EExtended strand (participates in β ladder)trans-91.7144.117963.8176000110W91 L119 L140 F143 L146 D150 I154 E162 F163 V165W91-I152 HydrophobicContact CE3-CG2 4.46Å; W91-I152 HydrophobicContact CH2-CG2 4.15Å; W91-I152 HydrophobicContact CZ3-CG2 3.97Å; L119-I152 HydrophobicContact CD2-CD1 4.42Å; L140-I152 HydrophobicContact CD2-CD1 4.16Å; F143-I152 HydrophobicContact CE1-CB 4.03Å; F143-I152 HydrophobicContact CE1-CG2 4.18Å; F143-I152 HydrophobicContact CZ-CB 4.37Å; L146-I152 HydrophobicContact CD2-CD1 4.05Å; L146-I152 HydrophobicContact CD2-CG2 4.16Å; D150-I152 HydrophobicContact CB-CG2 4.5Å; I152-I154 HydrophobicContact CD1-CD1 4.12Å; I152-E162 CarbonylContact O-C 3.56Å; I152-E162 WeakPolarHBondContact O-CA 3.23Å; I152-F163 HydrophobicContact CD1-CB 4.31Å; I152-F163 HydrophobicContact CG1-CB 3.8Å; I152-F163 PolarHBondContact N-O 2.87Å; I152-F163 PolarHBondContact O-N 3.23Å; I152-V165 HydrophobicContact CD1-CG2 4.47Å; I152-V165 HydrophobicContact CG2-CG2 4.27Å
153A91.6Very high90.7Very high11 Ų1140.3 Ų40.39%0.09121%0.211CC..EExtended strand (participates in β ladder)trans-111.2124.5178.900000110.3W91 V160 M161W91-A153 HydrophobicContact CB-CB 3.65Å; W91-A153 HydrophobicContact CG-CB 4Å; A153-V160 HydrophobicContact CB-CG1 3.8Å; A153-M161 WeakPolarHBondContact CA-O 3.44Å
154I89.7Confident90.8Very high1 Ų143.6 Ų43.61%0.00523%0.225CC..EExtended strand (participates in β ladder)trans-123.6126.1-178.3-64.2174.5000109.3L136 K139 L140 F143 I152 M161 F163L136-I154 HydrophobicContact CD2-CD1 3.34Å; K139-I154 HydrophobicContact CB-CG2 3.47Å; K139-I154 VanDerWaalsContact CB-CG2 3.47Å; K139-I154 HydrophobicContact CD-CG2 4.06Å; K139-I154 HydrophobicContact CG-CG2 3.57Å; L140-I154 HydrophobicContact CD2-CD1 4.42Å; F143-I154 HydrophobicContact CE2-CD1 4.48Å; F143-I154 HydrophobicContact CE2-CG1 3.94Å; F143-I154 HydrophobicContact CZ-CG1 4.12Å; I152-I154 HydrophobicContact CD1-CD1 4.12Å; I154-M161 PolarHBondContact N-O 2.89Å; I154-M161 PolarHBondContact O-N 2.85Å; I154-F163 HydrophobicContact CB-CD2 4.36Å; I154-F163 HydrophobicContact CB-CE2 4.08Å; I154-F163 HydrophobicContact CD1-CD2 3.95Å; I154-F163 HydrophobicContact CD1-CE2 4.07Å; I154-F163 HydrophobicContact CG1-CD2 4.3Å; I154-F163 HydrophobicContact CG1-CE2 4.43Å
155E87.4Confident90.9Very high31 Ų3143.4 Ų43.415%0.14522%0.223CC..EExtended strand (participates in β ladder)trans-87.3127.5174.2-178.2178.5-156.900111.9R29 C33 K139 K159R29-E155 IonicContact NH1-OE1 2.77Å; C33-E155 HydrophobicContact CB-CB 4.12Å; C33-E155 VanDerWaalsContact SG-CB 3.53Å; K139-E155 WeakPolarHBondContact CD-O 3.47Å; K139-E155 WeakPolarHBondContact CE-O 3.33Å; K139-E155 PolarHBondContact NZ-O 3.36Å; E155-K159 WeakPolarHBondContact CA-O 3.36Å
156Y85.7Confident90.9Very high68 Ų6845.4 Ų45.427%0.26723%0.232SC..EExtended strand (participates in β ladder)trans-139.9130.8170.6-176.2-105000110.4L129 V135 N158 K159L129-Y156 HydrophobicContact CD2-CD1 3.46Å; L129-Y156 VanDerWaalsContact CD2-CD1 3.46Å; L129-Y156 HydrophobicContact CD2-CE1 3.27Å; L129-Y156 HydrophobicContact CD2-CG 4.48Å; V135-Y156 HydrophobicContact CB-CD2 4.35Å; V135-Y156 HydrophobicContact CB-CE2 4.27Å; V135-Y156 HydrophobicContact CG1-CD1 4.45Å; V135-Y156 HydrophobicContact CG1-CD2 3.33Å; V135-Y156 HydrophobicContact CG1-CE2 3.72Å; V135-Y156 HydrophobicContact CG1-CG 3.74Å; V135-Y156 HydrophobicContact CG2-CD2 4.06Å; V135-Y156 HydrophobicContact CG2-CE1 4.4Å; V135-Y156 HydrophobicContact CG2-CE2 3.5Å; Y156-N158 VanDerWaalsContact C-N 3.32Å; Y156-N158 PolarHBondContact O-N 3.04Å; Y156-K159 PolarHBondContact N-O 2.84Å; Y156-K159 WeakPolarHBondContact O-CB 3.48Å; Y156-K159 PolarHBondContact O-N 2.83Å
157N85.2Confident90.9Very high118 Ų11848.7 Ų48.763%0.63125%0.248SC*.THydrogen-bonded Turntrans49.448-177.9-67.4-8.8000113.5K159N157-K159 PolarHBondContact O-N 2.87Å
158N83.2Confident90.9Very high135 Ų13549.1 Ų49.172%0.72225%0.25SC*.THydrogen-bonded Turntrans59.323.7-178.1-54.8-19.2000114.1Y156Y156-N158 VanDerWaalsContact C-N 3.32Å; Y156-N158 PolarHBondContact O-N 3.04Å
159K85.5Confident90.9Very high104 Ų10450.6 Ų50.645%0.45225%0.253SS..EExtended strand (participates in β ladder)trans-125.1127.8175.3-65.9-178179.7-179.80109.9F125 E155 Y156 N157F125-K159 HydrophobicContact CD1-CD 4.45Å; E155-K159 WeakPolarHBondContact CA-O 3.36Å; Y156-K159 PolarHBondContact N-O 2.84Å; Y156-K159 WeakPolarHBondContact O-CB 3.48Å; Y156-K159 PolarHBondContact O-N 2.83Å; N157-K159 PolarHBondContact O-N 2.87Å
160V87.5Confident91Very high74 Ų7453 Ų5345%0.44826%0.261SS..EExtended strand (participates in β ladder)trans-82.7123.8173-175.80000108.9N123 A153N123-V160 PolarHBondContact ND2-O 2.84Å; A153-V160 HydrophobicContact CB-CG1 3.8Å
161M88.6Confident91Very high6 Ų654.2 Ų54.23%0.0327%0.273CS..EExtended strand (participates in β ladder)trans-111.9130.9175.2-65.1-176.2-60.700109.6F125 L129 A153 I154 F163F125-M161 HydrophobicContact CB-SD 4.41Å; L129-M161 HydrophobicContact CD1-CE 4.09Å; L129-M161 HydrophobicContact CD1-SD 4.38Å; A153-M161 WeakPolarHBondContact CA-O 3.44Å; I154-M161 PolarHBondContact N-O 2.89Å; I154-M161 PolarHBondContact O-N 2.85Å; M161-F163 HydrophobicContact CB-CD2 4.44Å; M161-F163 HydrophobicContact CB-CE2 3.63Å; M161-F163 HydrophobicContact CB-CZ 4.13Å; M161-F163 HydrophobicContact CE-CE2 4.25Å; M161-F163 HydrophobicContact CE-CZ 4.1Å
162E91.3Very high91.1Very high59 Ų5956 Ų5628%0.27628%0.283SS..EExtended strand (participates in β ladder)trans-95.2132.9177.7-67.2166.9-17400109.6Q122 M151 I152 K272Q122-E162 HydrophobicContact CB-CB 4.24Å; Q122-E162 HydrophobicContact CG-CB 4.37Å; Q122-E162 PolarHBondContact N-O 2.85Å; M151-E162 HydrophobicContact CG-CB 4.05Å; M151-E162 HydrophobicContact CG-CG 4.48Å; M151-E162 HydrophobicContact SD-CB 4.12Å; M151-E162 HydrophobicContact SD-CG 4.28Å; I152-E162 CarbonylContact O-C 3.56Å; I152-E162 WeakPolarHBondContact O-CA 3.23Å; E162-K272 IonicContact OE1-NZ 3.92Å
163F91.8Very high91.2Very high1 Ų156.4 Ų56.40%0.00429%0.287CS..EExtended strand (participates in β ladder)trans-123.8130.8176.4-62.6-95000109.2L119 P121 F126 L136 M151 I152 I154 M161L119-F163 HydrophobicContact CB-CD1 4.49Å; P121-F163 HydrophobicContact CB-CD1 3.87Å; P121-F163 HydrophobicContact CB-CE1 3.75Å; F126-F163 AromaticContact CD2-CE1 3.58Å; F126-F163 HydrophobicContact CD2-CE1 3.58Å; F126-F163 AromaticContact CD2-CZ 3.8Å; F126-F163 HydrophobicContact CD2-CZ 3.8Å; F126-F163 AromaticContact CE2-CE1 3.7Å; F126-F163 HydrophobicContact CE2-CE1 3.7Å; F126-F163 HydrophobicContact CE2-CZ 4.13Å; F126-F163 HydrophobicContact CG-CE1 4.42Å; L136-F163 HydrophobicContact CD1-CE1 4.12Å; L136-F163 HydrophobicContact CD1-CZ 4.4Å; L136-F163 HydrophobicContact CD2-CD2 4.44Å; L136-F163 HydrophobicContact CD2-CE1 4.19Å; L136-F163 HydrophobicContact CD2-CE2 3.95Å; L136-F163 HydrophobicContact CD2-CZ 3.81Å; M151-F163 CarbonylContact C-O 3.6Å; M151-F163 WeakPolarHBondContact CA-O 3.12Å; I152-F163 HydrophobicContact CD1-CB 4.31Å; I152-F163 HydrophobicContact CG1-CB 3.8Å; I152-F163 PolarHBondContact N-O 2.87Å; I152-F163 PolarHBondContact O-N 3.23Å; I154-F163 HydrophobicContact CB-CD2 4.36Å; I154-F163 HydrophobicContact CB-CE2 4.08Å; I154-F163 HydrophobicContact CD1-CD2 3.95Å; I154-F163 HydrophobicContact CD1-CE2 4.07Å; I154-F163 HydrophobicContact CG1-CD2 4.3Å; I154-F163 HydrophobicContact CG1-CE2 4.43Å; M161-F163 HydrophobicContact CB-CD2 4.44Å; M161-F163 HydrophobicContact CB-CE2 3.63Å; M161-F163 HydrophobicContact CB-CZ 4.13Å; M161-F163 HydrophobicContact CE-CE2 4.25Å; M161-F163 HydrophobicContact CE-CZ 4.1Å
164F93.8Very high91.3Very high72 Ų7255.9 Ų55.932%0.31628%0.283SS..EExtended strand (participates in β ladder)trans-91.5126.1173.6-179.2-101.9000109.7R120 G149 Q166R120-F164 HydrophobicContact CB-CB 4.33Å; R120-F164 PolarHBondContact N-O 2.73Å; R120-F164 PolarHBondContact O-N 2.98Å; G149-F164 VanDerWaalsContact O-CE2 3.32Å; G149-F164 WeakPolarHBondContact O-CE2 3.48Å; F164-Q166 HydrophobicContact CD1-CB 4.34Å; F164-Q166 HydrophobicContact CE1-CB 4.42Å; F164-Q166 PolarHBondContact O-N 3.38Å
165V94.6Very high91.6Very high0 Ų056 Ų560%028%0.284CS..EExtended strand (participates in β ladder)trans-81.6105.8177.2-175.40000108.9V117 L119 T147 G149 D150 I152 L168V117-V165 HydrophobicContact CG2-CG1 4.37Å; L119-V165 HydrophobicContact CD2-CB 4.38Å; L119-V165 HydrophobicContact CD2-CG2 3.86Å; T147-V165 WeakPolarHBondContact O-CB 3.4Å; T147-V165 WeakPolarHBondContact O-CG1 3.3Å; G149-V165 PolarHBondContact N-O 2.84Å; D150-V165 PolarHBondContact O-N 2.94Å; I152-V165 HydrophobicContact CD1-CG2 4.47Å; I152-V165 HydrophobicContact CG2-CG2 4.27Å; V165-L168 HydrophobicContact CG1-CD1 3.84Å; V165-L168 HydrophobicContact CG1-CD2 3.84Å; V165-L168 HydrophobicContact CG1-CG 3.67Å
166Q94.1Very high91.8Very high46 Ų4655.2 Ų55.222%0.21528%0.281CS..EExtended strand (participates in β ladder)trans-88.7-46.4-174.1-170.11772.300112K118 K148 F164 E186K118-Q166 PolarHBondContact O-N 2.97Å; K148-Q166 WeakPolarHBondContact CE-O 3.15Å; K148-Q166 WeakPolarHBondContact CG-O 3.28Å; F164-Q166 HydrophobicContact CD1-CB 4.34Å; F164-Q166 HydrophobicContact CE1-CB 4.42Å; F164-Q166 PolarHBondContact O-N 3.38Å; Q166-E186 VanDerWaalsContact CD-OE2 3.29Å; Q166-E186 PolarHBondContact NE2-OE1 3.19Å; Q166-E186 PolarHBondContact NE2-OE2 3.34Å; Q166-E186 VanDerWaalsContact OE1-CD 3.27Å; Q166-E186 PolarHBondContact OE1-OE2 3.18Å
167E95.4Very high92.1Very high71 Ų7153.7 Ų53.733%0.33228%0.277SS..EExtended strand (participates in β ladder)trans-140.2146.7-179.9-61.3-174.7-172.100111.7Y116 V117 K118Y116-E167 HydrophobicContact CE1-CB 4.41Å; V117-E167 WeakPolarHBondContact CA-O 3.25Å; K118-E167 HydrophobicContact CB-CB 3.91Å; K118-E167 PolarHBondContact N-O 3.21Å; K118-E167 PolarHBondContact O-N 3.22Å
168L95.4Very high92.1Very high13 Ų1357.3 Ų57.37%0.06829%0.29CS..EExtended strand (participates in β ladder)trans-137.3149.9176.1-68.1171.5000109.3Y116 V117 L146 K148 V165 A171 D172 V174Y116-L168 WeakPolarHBondContact O-CA 3.41Å; V117-L168 HydrophobicContact CB-CD2 3.79Å; V117-L168 HydrophobicContact CG2-CD2 3.51Å; L146-L168 HydrophobicContact CB-CD1 4.01Å; L146-L168 HydrophobicContact CB-CD2 3.98Å; L146-L168 HydrophobicContact CD1-CD2 4.21Å; L146-L168 WeakPolarHBondContact O-CD1 3.44Å; K148-L168 HydrophobicContact CB-CD1 4.3Å; V165-L168 HydrophobicContact CG1-CD1 3.84Å; V165-L168 HydrophobicContact CG1-CD2 3.84Å; V165-L168 HydrophobicContact CG1-CG 3.67Å; L168-A171 VanDerWaalsContact CB-O 3.28Å; L168-A171 WeakPolarHBondContact CB-O 3.43Å; L168-D172 WeakPolarHBondContact CD1-O 3.01Å; L168-V174 HydrophobicContact CB-CG1 4.42Å; L168-V174 HydrophobicContact CB-CG2 4.5Å; L168-V174 HydrophobicContact CD1-CG2 4.23Å; L168-V174 HydrophobicContact CD2-CG2 3.91Å; L168-V174 HydrophobicContact CG-CG2 4.45Å
169R94.1Very high92.1Very high135 Ų13552.3 Ų52.351%0.50927%0.265SS..EExtended strand (participates in β ladder)trans-135.6141.1172.1-59.7-179.6-177.31723.4110.2G114 T115 Y116G114-R169 WeakPolarHBondContact CA-O 3.47Å; T115-R169 PolarHBondContact N-O 3.32Å; T115-R169 PolarHBondContact OG1-O 3.44Å; Y116-R169 HydrophobicContact CD1-CG 4.04Å; Y116-R169 PolarHBondContact O-N 3.41Å
170P95Very high92.2Very high91 Ų9155 Ų5559%0.59129%0.285SS*.SBendcis-88.4-9934.2-36.6000115.9P112 I113P112-P170 HydrophobicContact CB-CG 3.84Å; P112-P170 HydrophobicContact CG-CG 3.92Å; I113-P170 WeakPolarHBondContact O-CD 3.38Å
171A94.7Very high92.2Very high37 Ų3753.2 Ų53.231%0.30627%0.272SS..SBendtrans-127.3168-176.500000111.4P112 L168 A173P112-A171 HydrophobicContact CG-CB 3.81Å; L168-A171 VanDerWaalsContact CB-O 3.28Å; L168-A171 WeakPolarHBondContact CB-O 3.43Å; A171-A173 WeakPolarHBondContact CB-O 3.31Å; A171-A173 PolarHBondContact O-N 3.44Å
172D94.8Very high92.3Very high100 Ų10058.1 Ų58.154%0.53530%0.298SS..SBendtrans-67.1-13174.6-70.6-34.4000112.9T147 K148 L168T147-D172 CarbonylContact C-O 3Å; T147-D172 WeakPolarHBondContact CA-O 3.37Å; K148-D172 HydrophobicContact CB-CB 4.21Å; K148-D172 WeakPolarHBondContact CB-O 3.43Å; K148-D172 WeakPolarHBondContact CD-OD1 3.49Å; K148-D172 PolarHBondContact N-O 3.49Å; K148-D172 IonicContact NZ-OD1 2.95Å; L168-D172 WeakPolarHBondContact CD1-O 3.01Å
173A94.9Very high92.2Very high11 Ų1157 Ų579%0.09130%0.295CS..EExtended strand (participates in β ladder)trans-135.8130.3170.900000109.3H73 L111 L146 T147 A171H73-A173 WeakPolarHBondContact CE1-CB 3.46Å; H73-A173 WeakPolarHBondContact ND1-CB 3Å; L111-A173 HydrophobicContact CD1-CB 4.16Å; L111-A173 HydrophobicContact CD2-CB 3.75Å; L146-A173 WeakPolarHBondContact O-CA 3.28Å; T147-A173 HydrophobicContact CG2-CB 4.27Å; A171-A173 WeakPolarHBondContact CB-O 3.31Å; A171-A173 PolarHBondContact O-N 3.44Å
174V95.2Very high92.2Very high0 Ų060.9 Ų60.90%031%0.313CS..EExtended strand (participates in β ladder)trans-134.5149.6-176.1-61.20000111.1P112 C145 L146 L168 I176 M181P112-V174 WeakPolarHBondContact O-CA 3.2Å; C145-V174 VanDerWaalsContact CA-O 3.27Å; C145-V174 WeakPolarHBondContact CA-O 3.48Å; L146-V174 HydrophobicContact CB-CG2 4.37Å; L146-V174 PolarHBondContact N-O 3.36Å; L146-V174 PolarHBondContact O-N 3.45Å; L168-V174 HydrophobicContact CB-CG1 4.42Å; L168-V174 HydrophobicContact CB-CG2 4.5Å; L168-V174 HydrophobicContact CD1-CG2 4.23Å; L168-V174 HydrophobicContact CD2-CG2 3.91Å; L168-V174 HydrophobicContact CG-CG2 4.45Å; V174-I176 HydrophobicContact CG2-CG2 3.93Å; V174-M181 HydrophobicContact CG2-CE 4.23Å
175S94.4Very high91.9Very high5 Ų560 Ų604%0.03531%0.309CS..EExtended strand (participates in β ladder)trans-85136167.5-172.70000109.8P112 G114 A144P112-S175 PolarHBondContact O-N 3.5Å; G114-S175 PolarHBondContact N-O 3.12Å; A144-S175 WeakPolarHBondContact O-CA 3.48Å; A144-S175 PolarHBondContact O-OG 3.02Å
176I92.8Very high91.5Very high13 Ų1362.4 Ų62.47%0.06732%0.321CS..  trans-118.919.8-176.967.3164.7000113.3L140 F143 A144 L146 V174 E178 C179 M181L140-I176 HydrophobicContact CB-CD1 4.25Å; L140-I176 HydrophobicContact CD2-CD1 4.21Å; F143-I176 HydrophobicContact CB-CD1 3.63Å; F143-I176 HydrophobicContact CB-CG1 4.4Å; F143-I176 WeakPolarHBondContact O-CG1 3.47Å; A144-I176 PolarHBondContact O-N 3.37Å; L146-I176 HydrophobicContact CB-CG2 4.5Å; L146-I176 HydrophobicContact CD1-CD1 3.97Å; L146-I176 HydrophobicContact CD1-CG2 3.98Å; L146-I176 HydrophobicContact CD2-CD1 4.23Å; L146-I176 HydrophobicContact CG-CD1 3.76Å; L146-I176 HydrophobicContact CG-CG1 4.46Å; L146-I176 HydrophobicContact CG-CG2 4.02Å; V174-I176 HydrophobicContact CG2-CG2 3.93Å; I176-E178 PolarHBondContact O-N 2.89Å; I176-C179 WeakPolarHBondContact CA-SG 3.4Å; I176-M181 HydrophobicContact CB-SD 3.78Å; I176-M181 HydrophobicContact CG2-CE 4.02Å; I176-M181 HydrophobicContact CG2-SD 3.2Å; I176-M181 WeakPolarHBondContact CG2-SD 3.29Å
177I91.1Very high90.7Very high36 Ų3662.6 Ų62.619%0.18533%0.325CS..THydrogen-bonded Turntrans-78.6122-178.2-60.9168.1000108.6Y54 P55 L57 A144 C179Y54-I177 HydrophobicContact CE1-CG2 4.09Å; P55-I177 HydrophobicContact CB-CD1 3.29Å; P55-I177 HydrophobicContact CG-CD1 4.04Å; L57-I177 HydrophobicContact CD2-CD1 3.91Å; A144-I177 HydrophobicContact CB-CD1 3.95Å; A144-I177 HydrophobicContact CB-CG1 4.11Å; I177-C179 PolarHBondContact O-N 3.1Å; I177-C179 VanDerWaalsContact O-N 3.14Å
178E86.2Confident89.8Confident194 Ų19460 Ų6091%0.90731%0.314SS*.THydrogen-bonded Turntrans52.834.1174.8-61.1-178.8178.200114.2I176I176-E178 PolarHBondContact O-N 2.89Å
179C83.6Confident88.2Confident30 Ų3067.4 Ų67.420%0.20335%0.349CS..  trans-116.4144.117966.90000112.7I113 I176 I177 M181I113-C179 HydrophobicContact CG2-CB 3.43Å; I113-C179 VanDerWaalsContact CG2-CB 3.43Å; I176-C179 WeakPolarHBondContact CA-SG 3.4Å; I177-C179 PolarHBondContact O-N 3.1Å; I177-C179 VanDerWaalsContact O-N 3.14Å; C179-M181 PolarHBondContact O-N 2.81Å; C179-M181 VanDerWaalsContact SG-CG 3.55Å
180D86.8Confident86.7Confident161 Ų16164 Ų6486%0.86135%0.345SS*.  trans-85.299.1171.4-63.4-36000109.2
181M88.1Confident85.3Confident37 Ų3761 Ų6118%0.18232%0.322CS..PPolyproline II helixtrans-99.5139.6177.6-73.8-1797100111.7G114 V117 V174 I176 C179 V183G114-M181 WeakPolarHBondContact O-CG 3.41Å; V117-M181 HydrophobicContact CB-CE 3.77Å; V117-M181 HydrophobicContact CG1-CE 3.97Å; V174-M181 HydrophobicContact CG2-CE 4.23Å; I176-M181 HydrophobicContact CB-SD 3.78Å; I176-M181 HydrophobicContact CG2-CE 4.02Å; I176-M181 HydrophobicContact CG2-SD 3.2Å; I176-M181 WeakPolarHBondContact CG2-SD 3.29Å; C179-M181 PolarHBondContact O-N 2.81Å; C179-M181 VanDerWaalsContact SG-CG 3.55Å; M181-V183 PolarHBondContact O-N 3.33Å
182N90.2Very high83.5Confident109 Ų10964 Ų6458%0.58333%0.334SS*.EExtended strand (participates in β ladder)trans-78.4119.2169.7-159.852.9000109.8T115 Y116 V117T115-N182 PolarHBondContact O-N 2.93Å; Y116-N182 WeakPolarHBondContact CA-O 3.42Å; Y116-N182 HydrophobicContact CD2-CB 4.3Å; V117-N182 PolarHBondContact N-O 2.94Å
183V90Very high81.5Confident34 Ų3466 Ų6621%0.20634%0.34CS..EExtended strand (participates in β ladder)trans-101.9118.1-178.4-174.50000109.5V117 L119 L140 M181 F185V117-V183 HydrophobicContact CG1-CB 4.26Å; V117-V183 HydrophobicContact CG1-CG1 4.2Å; V117-V183 HydrophobicContact CG1-CG2 3.87Å; L119-V183 HydrophobicContact CD1-CG1 4.2Å; L140-V183 HydrophobicContact CD1-CG2 4.44Å; M181-V183 PolarHBondContact O-N 3.33Å; V183-F185 HydrophobicContact CB-CZ 4.37Å; V183-F185 HydrophobicContact CG1-CD1 4.37Å; V183-F185 HydrophobicContact CG1-CE1 3.49Å; V183-F185 VanDerWaalsContact CG1-CE1 3.49Å; V183-F185 HydrophobicContact CG1-CE2 4.4Å; V183-F185 HydrophobicContact CG1-CZ 3.52Å
184E90.1Very high79.4Confident84 Ų8469.3 Ų69.339%0.39336%0.358SS..EExtended strand (participates in β ladder)trans-108.3144.1173.3-170.3178.4146.600110.8Y116 V117 K118 L119Y116-E184 HydrophobicContact CE2-CB 3.8Å; Y116-E184 WeakPolarHBondContact CE2-OE2 3.47Å; Y116-E184 PolarHBondContact OH-OE2 3.32Å; V117-E184 PolarHBondContact O-N 3.32Å; K118-E184 WeakPolarHBondContact CA-O 3.45Å; K118-E184 HydrophobicContact CG-CB 4.44Å; L119-E184 PolarHBondContact N-O 3.38Å
185F87.4Confident77.2Confident52 Ų5272.3 Ų72.323%0.22838%0.383CS..EExtended strand (participates in β ladder)trans-111.1129.6-179.8-56.4-62.1000111.5L119 F126 P132 L136 V183L119-F185 WeakPolarHBondContact O-CA 3.39Å; F126-F185 HydrophobicContact CE1-CB 4.46Å; F126-F185 HydrophobicContact CE1-CD1 4.23Å; F126-F185 HydrophobicContact CE1-CG 4.17Å; F126-F185 HydrophobicContact CE2-CD1 4.37Å; F126-F185 HydrophobicContact CE2-CE1 4.26Å; F126-F185 AromaticContact CZ-CD1 3.55Å; F126-F185 HydrophobicContact CZ-CD1 3.55Å; F126-F185 HydrophobicContact CZ-CD2 4.19Å; F126-F185 AromaticContact CZ-CE1 3.74Å; F126-F185 HydrophobicContact CZ-CE1 3.74Å; F126-F185 HydrophobicContact CZ-CE2 4.32Å; F126-F185 AromaticContact CZ-CG 3.8Å; F126-F185 HydrophobicContact CZ-CG 3.8Å; F126-F185 HydrophobicContact CZ-CZ 4.12Å; P132-F185 HydrophobicContact CB-CE2 4.49Å; L136-F185 HydrophobicContact CD1-CD1 4.32Å; L136-F185 HydrophobicContact CD1-CE1 3.2Å; L136-F185 HydrophobicContact CD1-CZ 3.59Å; V183-F185 HydrophobicContact CB-CZ 4.37Å; V183-F185 HydrophobicContact CG1-CD1 4.37Å; V183-F185 HydrophobicContact CG1-CE1 3.49Å; V183-F185 VanDerWaalsContact CG1-CE1 3.49Å; V183-F185 HydrophobicContact CG1-CE2 4.4Å; V183-F185 HydrophobicContact CG1-CZ 3.52Å
186E86.2Confident75.1Confident52 Ų5275.7 Ų75.724%0.24341%0.411CS..  trans-10791165.2-168.5179.2120.200109K118 L119 R120 Q166K118-E186 WeakPolarHBondContact CE-OE2 3.4Å; K118-E186 IonicContact NZ-OE2 2.62Å; K118-E186 PolarHBondContact NZ-OE2 2.91Å; L119-E186 PolarHBondContact O-N 3.11Å; R120-E186 WeakPolarHBondContact CG-O 3.48Å; R120-E186 IonicContact NH1-OE1 3.6Å; R120-E186 PolarHBondContact NH1-OE1 3Å; Q166-E186 VanDerWaalsContact CD-OE2 3.29Å; Q166-E186 PolarHBondContact NE2-OE1 3.19Å; Q166-E186 PolarHBondContact NE2-OE2 3.34Å; Q166-E186 VanDerWaalsContact OE1-CD 3.27Å; Q166-E186 PolarHBondContact OE1-OE2 3.18Å
187T79.2Confident73.3Confident49 Ų4982.5 Ų82.530%0.30145%0.447SS..  trans-73.5132.2169.751.90000109.5P121 F126 E189 W191P121-T187 HydrophobicContact CG-CG2 4.21Å; F126-T187 HydrophobicContact CD1-CG2 4.28Å; F126-T187 HydrophobicContact CE1-CG2 4.3Å; T187-E189 PolarHBondContact O-N 3.12Å; T187-W191 HydrophobicContact CG2-CE3 4.18Å; T187-W191 HydrophobicContact CG2-CZ3 4.35Å
188P74.4Confident71.3Confident17 Ų1784.2 Ų84.211%0.1147%0.467CS..  trans-55.1134.7173.6-22.531.7000111.2S190 W191P188-S190 PolarHBondContact O-N 3.19Å; P188-W191 HydrophobicContact CG-CD2 4.45Å; P188-W191 HydrophobicContact CG-CZ2 4.28Å; P188-W191 WeakPolarHBondContact O-CB 3.45Å; P188-W191 PolarHBondContact O-N 3.07Å
189E62.4Low69.5Low169 Ų16981.3 Ų81.379%0.7946%0.457SS*.G310 helixtrans-52.5-32.1-179.8-66.1174.5173.800112.8T187 W191 N192T187-E189 PolarHBondContact O-N 3.12Å; E189-W191 PolarHBondContact O-N 2.96Å; E189-N192 PolarHBondContact O-N 3.01Å
190S62.8Low67.7Low63 Ų6385.6 Ų85.644%0.44149%0.485SS..G310 helixtrans-61.2-9.8177.565.40000115.1P188P188-S190 PolarHBondContact O-N 3.19Å
191W65.5Low65.6Low27 Ų2786.7 Ų86.710%0.10248%0.482CS..G310 helixtrans-88.2-23.8175.8-66.49.4000112.6P121 Q122 N123 R124 F126 T187 P188 E189P121-W191 HydrophobicContact CB-CH2 3.84Å; P121-W191 HydrophobicContact CB-CZ3 4.04Å; P121-W191 HydrophobicContact CG-CH2 3.84Å; P121-W191 HydrophobicContact CG-CZ3 3.64Å; P121-W191 VanDerWaalsContact O-CH2 3.29Å; P121-W191 WeakPolarHBondContact O-CH2 3.07Å; Q122-W191 WeakPolarHBondContact O-CZ2 3.44Å; N123-W191 WeakPolarHBondContact O-CH2 3.06Å; R124-W191 HydrophobicContact CG-CD2 4.03Å; R124-W191 HydrophobicContact CG-CG 4.21Å; R124-W191 HydrophobicContact CG-CZ2 4.03Å; F126-W191 HydrophobicContact CB-CZ3 4.16Å; T187-W191 HydrophobicContact CG2-CE3 4.18Å; T187-W191 HydrophobicContact CG2-CZ3 4.35Å; P188-W191 HydrophobicContact CG-CD2 4.45Å; P188-W191 HydrophobicContact CG-CZ2 4.28Å; P188-W191 WeakPolarHBondContact O-CB 3.45Å; P188-W191 PolarHBondContact O-N 3.07Å; E189-W191 PolarHBondContact O-N 2.96Å
192N57.7Low63.3Low102 Ų10290 Ų9055%0.54551%0.506SS..Hα-helixtrans-81.8-32.7-179-67.4-19.7000111.9E189 V194 A195 A196E189-N192 PolarHBondContact O-N 3.01Å; N192-V194 PolarHBondContact O-N 3.24Å; N192-A195 PolarHBondContact O-N 3.31Å; N192-A196 PolarHBondContact O-N 3.03Å
193E53.1Low60.8Low141 Ų14191.5 Ų91.566%0.65952%0.519SS*.Hα-helixtrans-68.4-32.3-179.9-69.2-177162.700113.4A195 A196 L197E193-A195 VanDerWaalsContact C-N 3.32Å; E193-A196 PolarHBondContact O-N 2.96Å; E193-L197 PolarHBondContact O-N 3.01Å
194V50.7Low58.5Low80 Ų8095.9 Ų95.949%0.48555%0.546SS..Hα-helixtrans-74-25.7177.4-176.10000111.6N192N192-V194 PolarHBondContact O-N 3.24Å
195A48.9Very low56.1Low63 Ų6398.1 Ų98.152%0.52157%0.566SS.*Hα-helixtrans-73.4-37.2173.100000111.7N192 E193 L197 A198N192-A195 PolarHBondContact O-N 3.31Å; E193-A195 VanDerWaalsContact C-N 3.32Å; A195-L197 VanDerWaalsContact C-N 3.28Å; A195-L197 PolarHBondContact O-N 3.25Å; A195-A198 PolarHBondContact O-N 2.98Å
196A48.8Very low53.9Low76 Ų76100.3 Ų100.363%0.62859%0.594SS**Hα-helixtrans-68.6-23.2-179.700000114.1N192 E193 A198N192-A196 PolarHBondContact O-N 3.03Å; E193-A196 PolarHBondContact O-N 2.96Å; A196-A198 VanDerWaalsContact C-N 3.33Å
197L55.1Low51.4Low157 Ų157107.1 Ų107.182%0.82263%0.625SS**THydrogen-bonded Turntrans-84.4-3.5178-72.4164.8000113.8E193 A195E193-L197 PolarHBondContact O-N 3.01Å; A195-L197 VanDerWaalsContact C-N 3.28Å; A195-L197 PolarHBondContact O-N 3.25Å
198A50.5Low49.8Very low72 Ų72109.2 Ų109.260%0.59565%0.647SS**THydrogen-bonded Turntrans-98.2-6.7-176.700000114.7A195 A196 P200A195-A198 PolarHBondContact O-N 2.98Å; A196-A198 VanDerWaalsContact C-N 3.33Å; A198-P200 VanDerWaalsContact O-CD 3.32Å; A198-P200 WeakPolarHBondContact O-CD 3.32Å
199D48.8Very low48Very low132 Ų132113.9 Ų113.971%0.70668%0.678SS**  trans-102.4104.8176.3-74.8-30000110.9K201D199-K201 PolarHBondContact O-N 3.03Å
200P44.1Very low46.7Very low121 Ų121112.3 Ų112.379%0.78668%0.68SS**  trans-71.688.315930.8-29.2000106.7A198 P202A198-P200 VanDerWaalsContact O-CD 3.32Å; A198-P200 WeakPolarHBondContact O-CD 3.32Å; P200-P202 VanDerWaalsContact O-CD 3.31Å; P200-P202 WeakPolarHBondContact O-CD 3.31Å; P200-P202 VanDerWaalsContact O-N 3.11Å
201K44.4Very low45.5Very low183 Ų183116.2 Ų116.280%0.79670%0.701SS**  trans-55.2118.3171.8-161.4174.9-170.8177.50107.6D199 T203D199-K201 PolarHBondContact O-N 3.03Å; K201-T203 PolarHBondContact O-N 3.26Å
202P39.3Very low44Very low107 Ų107123.5 Ų123.570%0.69574%0.736SS**  trans-71.2104.1174.428.2-28000106P200 T204P200-P202 VanDerWaalsContact O-CD 3.31Å; P200-P202 WeakPolarHBondContact O-CD 3.31Å; P200-P202 VanDerWaalsContact O-N 3.11Å; P202-T204 VanDerWaalsContact C-N 3.3Å; P202-T204 PolarHBondContact O-N 3.32Å; P202-T204 PolarHBondContact O-OG1 3.27Å; P202-T204 VanDerWaalsContact O-OG1 3.14Å
203T37.3Very low43Very low140 Ų140124.9 Ų124.986%0.85975%0.748SS**  trans-58.598.8173.6-53.80000107.8K201K201-T203 PolarHBondContact O-N 3.26Å
204T41Very low42.6Very low126 Ų126125.7 Ų125.777%0.77376%0.757SS**  trans-76.2125.5177.4-14.60000107.1P202 A206P202-T204 VanDerWaalsContact C-N 3.3Å; P202-T204 PolarHBondContact O-N 3.32Å; P202-T204 PolarHBondContact O-OG1 3.27Å; P202-T204 VanDerWaalsContact O-OG1 3.14Å; T204-A206 PolarHBondContact O-N 3.44Å
205V41.1Very low42.1Very low132 Ų132127.5 Ų127.580%0.877%0.771SS**  trans-43.5121.7-179-154.50000111.4
206A40.5Very low41.5Very low98 Ų98129.4 Ų129.481%0.8179%0.786SS**  trans-95.4108.3165.100000108T204T204-A206 PolarHBondContact O-N 3.44Å
207E34.7Very low40.9Very low195 Ų195133.2 Ų133.291%0.91180%0.796SS**  trans-64.5128.1170.3-72.6170.6140.800110.5
208A44.7Very low40.1Very low92 Ų92130.7 Ų130.776%0.7679%0.792SS**  trans-139.1147.2161.300000108.8
209P35.9Very low39.2Very low116 Ų116131.1 Ų131.175%0.75380%0.803SS**  trans-88.1143.4-147.233.4-34.1000114.8
210V34.8Very low38.7Very low136 Ų136131 Ų13182%0.82481%0.807SS**  trans15.6120.8151.4-79.10000119.5
211T37.4Very low38.5Very low144 Ų144130.2 Ų130.288%0.88380%0.804SS**  trans-148.4131.8136.4-14.50000109.9
212E34.2Very low38.3Very low180 Ų180127.6 Ų127.684%0.84180%0.803SS**  trans-66.9139.8-172.4-60.2164.215400112.1
213T38Very low38.9Very low132 Ų132131 Ų13181%0.8181%0.808SS**  179.2109.1129.2320000110.7
214D44.8Very low39.9Very low158 Ų158129.7 Ų129.785%0.84580%0.801SS**  trans50.8148.3144.8-64.9-28.5000125
215P39.7Very low40.9Very low118 Ų118129.2 Ų129.277%0.76680%0.798SS**  trans-111.9128.3-158.835.5-19.3000112.4
216A35.3Very low42Very low103 Ų103129.6 Ų129.685%0.85180%0.795SS**  trans-173.1135.1150.500000111.8
217D37.4Very low42.9Very low156 Ų156133 Ų13383%0.83479%0.792SS**  trans104138.6146.2-140.15.5000119.2
218S37.7Very low44.6Very low104 Ų104129.5 Ų129.573%0.72779%0.786SS**  trans-60.8127.1-155.240.90000116.3
219G31.6Very low45.8Very low81 Ų81128.2 Ų128.284%0.83578%0.782SS**  trans-82.8119.8174.700000113.2
220V38.6Very low47.5Very low130 Ų130129 Ų12979%0.78878%0.784SS**  trans-121.596.1154.8-1780000107.1V222V220-V222 PolarHBondContact O-N 3.34Å
221S39.5Very low49.2Very low103 Ų103126.2 Ų126.272%0.7278%0.783SS**  trans-76.6107.2173.656.10000109.6F223S221-F223 PolarHBondContact O-N 3.28Å
222V40.9Very low50.9Low129 Ų129130.1 Ų130.178%0.78278%0.781SS**  trans-70.4113.5174.6178.90000109.1V220V220-V222 PolarHBondContact O-N 3.34Å
223F52.2Low52.7Low179 Ų179128.3 Ų128.379%0.78577%0.766SS**  trans-69.9136165.7-74.1-84.8000109.4S221 V225S221-F223 PolarHBondContact O-N 3.28Å; F223-V225 PolarHBondContact O-N 3.46Å
224P58.2Low54.2Low112 Ų112130.7 Ų130.773%0.72777%0.774SS**  trans-68129.4174.328.6-31.6000109.1L226P224-L226 PolarHBondContact O-N 3.4Å
225V62Low55.4Low116 Ų116128.7 Ų128.770%0.70376%0.763SS**  trans-66.9104.9177.8178.80000108.7F223 F227F223-V225 PolarHBondContact O-N 3.46Å; V225-F227 PolarHBondContact O-N 2.91Å
226L63.8Low56.6Low140 Ų140126.5 Ų126.573%0.73376%0.762SS**SBendtrans-69.7-11.6-174.5-161.466.8000113.5P224P224-L226 PolarHBondContact O-N 3.4Å
227F59.1Low58Low169 Ų169129.4 Ų129.474%0.74176%0.755SS**  trans-147.294.5178-59.8-78000111.2V225 G229V225-F227 PolarHBondContact O-N 2.91Å; F227-G229 PolarHBondContact O-N 3.14Å; F227-G229 VanDerWaalsContact O-N 3.16Å
228P71.6Confident59.3Low122 Ų122128.7 Ų128.779%0.79275%0.751SS**  trans-80.716.5177.433.9-34.6000112.9
229G69Low59.8Low65 Ų65134.3 Ų134.367%0.6776%0.756SS**PPolyproline II helixtrans-82.3125.2-172.400000112.9F227 G231F227-G229 PolarHBondContact O-N 3.14Å; F227-G229 VanDerWaalsContact O-N 3.16Å; G229-G231 PolarHBondContact O-N 2.81Å
230V72.4Confident60.5Low133 Ų133138.7 Ų138.781%0.80676%0.76SS**PPolyproline II helixtrans-76117.8169.7-178.60000109.1R232V230-R232 PolarHBondContact O-N 3.42Å
231G69.3Low60.5Low77 Ų77139.4 Ų139.479%0.79476%0.759SS**PPolyproline II helixtrans-68.5120.8176.400000111.8G229G229-G231 PolarHBondContact O-N 2.81Å
232R74.1Confident60.6Low225 Ų225140.7 Ų140.785%0.84976%0.758SS**PPolyproline II helixtrans-99.5136.9172.8-71.8-175.1173176.2-2110.6V230V230-R232 PolarHBondContact O-N 3.42Å
233R72.4Confident60.5Low142 Ų142142.2 Ų142.254%0.53676%0.756SS.*PPolyproline II helixtrans-72.6140.1175.9-64.5178.862.894.85.4110D235 G236R233-D235 IonicContact CZ-OD2 3.57Å; R233-D235 IonicContact NE-OD2 3.6Å; R233-D235 IonicContact NH2-OD2 3.59Å; R233-D235 PolarHBondContact NH2-OD2 3.03Å; R233-D235 PolarHBondContact O-N 3.16Å; R233-G236 PolarHBondContact O-N 2.98Å
234L69.3Low59.7Low183 Ų183142.2 Ų142.296%0.95876%0.758SS**THydrogen-bonded Turntrans-64.4-19.1173.2-145.282.5000112.3G236L234-G236 VanDerWaalsContact C-N 3.29Å; L234-G236 PolarHBondContact O-N 3.38Å
235D69.7Low58.5Low116 Ų116141.6 Ų141.662%0.6276%0.757SS**THydrogen-bonded Turntrans-835-179.7-47.4-42.6000114.2R233 K237R233-D235 IonicContact CZ-OD2 3.57Å; R233-D235 IonicContact NE-OD2 3.6Å; R233-D235 IonicContact NH2-OD2 3.59Å; R233-D235 PolarHBondContact NH2-OD2 3.03Å; R233-D235 PolarHBondContact O-N 3.16Å; D235-K237 PolarHBondContact O-N 3.22Å; D235-K237 VanDerWaalsContact O-N 3.11Å
236G65Low57.1Low72 Ų72142.4 Ų142.474%0.74276%0.762SS**  trans6615173.700000116.4R233 L234R233-G236 PolarHBondContact O-N 2.98Å; L234-G236 VanDerWaalsContact C-N 3.29Å; L234-G236 PolarHBondContact O-N 3.38Å
237K64.2Low55.7Low164 Ų164139.5 Ų139.571%0.71376%0.758SS**  trans-107.8111.6-178.7-156.1165.5-175.2171.40110.4D235D235-K237 PolarHBondContact O-N 3.22Å; D235-K237 VanDerWaalsContact O-N 3.11Å
238D63.7Low54.6Low140 Ų140136.7 Ų136.775%0.74976%0.76SS**PPolyproline II helixtrans-65.9138.6175.5-72.3-41.4000110.6L240D238-L240 PolarHBondContact O-N 3.22Å
239R49.2Very low53.1Low223 Ų223135.8 Ų135.884%0.84276%0.756SS**PPolyproline II helixtrans-72.1119.4175.8-93.5-178.6158.7166.8-6108.6D241R239-D241 PolarHBondContact O-N 3.41Å
240L46.3Very low51.8Low172 Ų172138.3 Ų138.390%0.90176%0.764SS**PPolyproline II helixtrans-66.6122161-72.3160.7000108D238D238-L240 PolarHBondContact O-N 3.22Å
241D38.8Very low50Low146 Ų146139.5 Ų139.578%0.78177%0.765SS**PPolyproline II helixtrans-58.9137.3163.4-76.6-45000109.7R239R239-D241 PolarHBondContact O-N 3.41Å
242D42.1Very low48.5Very low129 Ų129140.4 Ų140.469%0.6976%0.76SS**  trans147.3115.9135.4-84.6-43.4000113.1
243Q37.8Very low46.8Very low161 Ų161138 Ų13875%0.75276%0.76SS**  43119.4125.1-60176.250.100118.8
244H35.7Very low45.2Very low179 Ų179140.6 Ų140.683%0.82978%0.775SS**  trans66.4108.2143.1-88.3-91.1000118.6
245S32.4Very low43.6Very low100 Ų100139.2 Ų139.270%0.69977%0.769SS**  110.2123.211382.90000118.3
246V33.3Very low42.2Very low133 Ų133138.9 Ų138.981%0.80678%0.775SS**  trans56.4112.3146.7-94.30000122.2
247A34.5Very low40.9Very low79 Ų79144.9 Ų144.965%0.65378%0.781SS**  97.9128.6108.800000120.3
248S36.3Very low39.6Very low110 Ų110143.3 Ų143.377%0.76979%0.785SS**  trans74.7144.3141.4-53.20000117.7
249S39.6Very low38.5Very low102 Ų102141.7 Ų141.771%0.71378%0.782SS**  cis-179.1163.9-9.4-95.30000106.4
250S40.8Very low37.6Very low119 Ų119137.1 Ų137.183%0.83278%0.779SS**  trans82.9146.7151.882.10000118.9
251N35.4Very low37Very low157 Ų157133.8 Ų133.884%0.8477%0.77SS**  cis-172.2167.5-32-145.72.3000108.2
252S38.5Very low36.6Very low97 Ų97131.7 Ų131.768%0.67877%0.767SS**  trans85.8111.8155.9-153.90000118.6
253M36.9Very low36.3Very low175 Ų175134.8 Ų134.886%0.86278%0.778SS**  73.4118.259.5-81.4-174.5167.100116.6
254K39.8Very low35.9Very low196 Ų196135.7 Ų135.785%0.85278%0.782SS**  trans154.8111.6130.4-85.8175.3-179.2-179.10110.4
255D36.6Very low35.6Very low153 Ų153133.8 Ų133.882%0.81878%0.783SS**  84.2115.977.1-107.3-26.8000116.1
256S39.2Very low35.9Very low109 Ų109135.3 Ų135.376%0.76279%0.787SS**  151.1130.4121.9-710000117.3
257K38.6Very low36.3Very low198 Ų198135.5 Ų135.586%0.86178%0.784SS**  trans75.195140.9-96.1173.6169.2178.30123.8
258V36.1Very low36.6Very low131 Ų131137.6 Ų137.679%0.79479%0.791SS**  26153.8102-1710000119.3
259P40.2Very low37Very low106 Ų106138.9 Ų138.969%0.68879%0.788SS**  cis-138.5-179.4-5.827-2.6000118.2
260T30.9Very low36.9Very low127 Ų127145.4 Ų145.478%0.77980%0.797SS**  trans111122.9133.1-11.90000121.2
261S33.9Very low37Very low102 Ų102148.3 Ų148.371%0.71380%0.795SS**  trans120.8112136.681.10000117.5
262S30.8Very low37.4Very low103 Ų103148.3 Ų148.372%0.7279%0.787SS**  trans40.8118.5138.3510000120.2
263Q34.2Very low37.4Very low194 Ų194153.4 Ų153.491%0.90780%0.797SS**  -170.2147.4123-103.7165.95.600112.8
264E31.3Very low37.6Very low180 Ų180149 Ų14984%0.84177%0.771SS**  trans-63.1139.5-169.8-65.9155.8137.100114.1
265T29.4Very low38Very low139 Ų139145.4 Ų145.485%0.85377%0.769SS**  trans-90.2107.8167.245.40000109.5
266V38.1Very low38.6Very low131 Ų131141.9 Ų141.979%0.79476%0.755SS**  trans-98.3120.4168.91780000108.4
267D41.4Very low38.6Very low138 Ų138142.4 Ų142.474%0.73876%0.758SS**  trans-65.5139.8176.1-69.6-43.5000111.9I269D267-I269 PolarHBondContact O-N 3.45Å
268P41.3Very low38.9Very low123 Ų123141.3 Ų141.380%0.79976%0.756SS**  trans-89.698.9178.933.7-29.2000110.7R270P268-R270 PolarHBondContact O-N 3.32Å
269I44.6Very low39.4Very low136 Ų136140.6 Ų140.670%0.69776%0.755SS**  trans-76.4109.8161.9-60.6177.7000107.8D267 F271D267-I269 PolarHBondContact O-N 3.45Å; I269-F271 PolarHBondContact O-N 3.38Å
270R37.3Very low40.1Very low240 Ų240141.7 Ų141.791%0.90676%0.762SS**  trans-72.891.6-178.1-167.9178.8-172.5-179.22.4110.5P268 K272P268-R270 PolarHBondContact O-N 3.32Å; R270-K272 PolarHBondContact O-N 3.28Å
271F42Very low40.5Very low179 Ų179142.9 Ų142.979%0.78580%0.799SS**  trans-59.2122.5165.5-77.8-88.4000109.9I269 K273I269-F271 PolarHBondContact O-N 3.38Å; F271-K273 PolarHBondContact O-N 2.77Å
272K44.8Very low40.8Very low157 Ų157144.9 Ų144.968%0.68380%0.803SS**  trans-66.4115.1165.6-79.2177.8178.91730106.9E162 R270E162-K272 IonicContact OE1-NZ 3.92Å; R270-K272 PolarHBondContact O-N 3.28Å
273K39.1Very low41.4Very low204 Ų204147.1 Ų147.189%0.88781%0.807SS**  trans-60.7132.5176.2-86.2-179.4171.6-178.30110.5F271F271-K273 PolarHBondContact O-N 2.77Å
274Y39.4Very low41.8Very low82 Ų82144.5 Ų144.532%0.32280%0.802SS.*  trans-60.3153.4167.3-67.2-80.9000111.4E100 C276E100-Y274 WeakPolarHBondContact OE1-CE2 3.41Å; E100-Y274 PolarHBondContact OE1-OH 2.53Å; Y274-C276 PolarHBondContact O-N 3.38Å
275P48.3Very low42.4Very low122 Ų122142.4 Ų142.479%0.79280%0.8SS**SBendtrans-73.35174.628.8-32.4000114.7
276C49.8Very low43.2Very low79 Ų79142.6 Ų142.653%0.53480%0.796SS.*  trans-114.9104179.5-66.10000110.4C99 Y274 E278C99-C276 PolarHBondContact SG-SG 3.11Å; Y274-C276 PolarHBondContact O-N 3.38Å; C276-E278 PolarHBondContact O-N 3.45Å
277S38.7Very low43.5Very low119 Ų119143.4 Ų143.483%0.83280%0.796SS**  trans-92.269.7171.958.20000110
278E45.1Very low43.7Very low175 Ų175143.8 Ų143.882%0.81880%0.801SS**  trans-135.9122.4165.9-74.1-170.3164.500109.7C276C276-E278 PolarHBondContact O-N 3.45Å
279P47.2Very low43.9Very low117 Ų117145.4 Ų145.476%0.7680%0.801SS**  trans-74140.4173.330.2-31.4000110G281P279-G281 PolarHBondContact O-N 3.37Å
280P54.2Low43.8Very low129 Ų129146.2 Ų146.284%0.83881%0.809SS**  trans-70130.7170.929.1-30.7000109.4
281G39.6Very low44.4Very low151 Ų151137.6 Ų137.6100%1.55780%0.801SS**  trans-78.70166.200000113.1P279P279-G281 PolarHBondContact O-N 3.37Å

Retrieved 281 of 281 residues in 858.8 ms (Link to these results)

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