A0A096MR07_PAPAN Loading...

Placenta-specific protein 1

May play a role in placental development.

AlphaFold DB , UniProt , Accession A0A096MR07, Species PAPAN (Papio anubis, Olive baboon), Gene PLAC1, Length 212 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
1M59.6Low66.8Low206 Ų206123.2 Ų123.2100%1.01561%0.611SS**  0-37.50-63.6177.486.900114.2
2K58.8Low66.5Low172 Ų172122.9 Ų122.975%0.74861%0.612SS**Hα-helixtrans-64.2-41.6179.5-82.3167.9172.7162.90114.1F4 K5 F6K2-F4 PolarHBondContact O-N 3.16Å; K2-K5 PolarHBondContact O-N 2.88Å; K2-F6 WeakPolarHBondContact O-CD2 3.17Å; K2-F6 PolarHBondContact O-N 3.24Å
3V61.6Low66.3Low100 Ų100120 Ų12061%0.60660%0.599SS**Hα-helixtrans-62.6-38.5-176.1-173.40000112.6K5 F6 I7V3-K5 PolarHBondContact O-N 2.81Å; V3-F6 PolarHBondContact O-N 3.17Å; V3-I7 HydrophobicContact CG1-CD1 3.91Å; V3-I7 WeakPolarHBondContact O-CG1 3.39Å; V3-I7 PolarHBondContact O-N 2.79Å
4F63.1Low66Low163 Ų163117.9 Ų117.972%0.71560%0.596SS**Hα-helixtrans-67.4-31.3177.3-63.9-74.4000113.4K2 G8K2-F4 PolarHBondContact O-N 3.16Å; F4-G8 PolarHBondContact O-N 3.24Å
5K66.5Low65.6Low161 Ų161114.8 Ų114.870%0.759%0.59SS**Hα-helixtrans-67-41.2172.4-87.4-169.873.3145.40111.6K2 V3 G8 V9K2-K5 PolarHBondContact O-N 2.88Å; V3-K5 PolarHBondContact O-N 2.81Å; K5-G8 PolarHBondContact O-N 3.43Å; K5-V9 WeakPolarHBondContact O-CB 2.93Å; K5-V9 VanDerWaalsContact O-CG2 3.23Å; K5-V9 WeakPolarHBondContact O-CG2 3.04Å; K5-V9 PolarHBondContact O-N 2.99Å
6F66.2Low65.2Low145 Ų145112.4 Ų112.464%0.63659%0.593SS**Hα-helixtrans-67.1-40.7178.1-73.9-73.2000111.7K2 V3 V9 M10K2-F6 WeakPolarHBondContact O-CD2 3.17Å; K2-F6 PolarHBondContact O-N 3.24Å; V3-F6 PolarHBondContact O-N 3.17Å; F6-V9 PolarHBondContact O-N 2.74Å; F6-M10 WeakPolarHBondContact O-CB 3.49Å; F6-M10 VanDerWaalsContact O-CG 3.22Å; F6-M10 WeakPolarHBondContact O-CG 3.28Å; F6-M10 PolarHBondContact O-N 2.84Å
7I72.9Confident64.7Low84 Ų84115.9 Ų115.943%0.43160%0.602SS.*Hα-helixtrans-62.7-46.4175.5-66162.1000110.7V3 V9 M10 I11V3-I7 HydrophobicContact CG1-CD1 3.91Å; V3-I7 WeakPolarHBondContact O-CG1 3.39Å; V3-I7 PolarHBondContact O-N 2.79Å; I7-V9 PolarHBondContact O-N 2.92Å; I7-M10 PolarHBondContact O-N 2.68Å; I7-I11 HydrophobicContact CG2-CD1 3.73Å; I7-I11 HydrophobicContact CG2-CG1 4.47Å; I7-I11 VanDerWaalsContact O-CG1 3.27Å; I7-I11 WeakPolarHBondContact O-CG1 3.15Å; I7-I11 PolarHBondContact O-N 2.96Å
8G71.4Confident64Low31 Ų31114.8 Ų114.832%0.3261%0.606SS.*Hα-helixtrans-61.9-40.6177.500000113.4F4 K5 I11 L12F4-G8 PolarHBondContact O-N 3.24Å; K5-G8 PolarHBondContact O-N 3.43Å; G8-I11 PolarHBondContact O-N 2.96Å; G8-L12 WeakPolarHBondContact O-CG 3.41Å; G8-L12 PolarHBondContact O-N 2.99Å
9V74.6Confident63.3Low74 Ų74113.4 Ų113.445%0.44861%0.612SS.*Hα-helixtrans-67-40.1176.3170.20000111.5K5 F6 I7 L12 L13K5-V9 WeakPolarHBondContact O-CB 2.93Å; K5-V9 VanDerWaalsContact O-CG2 3.23Å; K5-V9 WeakPolarHBondContact O-CG2 3.04Å; K5-V9 PolarHBondContact O-N 2.99Å; F6-V9 PolarHBondContact O-N 2.74Å; I7-V9 PolarHBondContact O-N 2.92Å; V9-L12 PolarHBondContact O-N 3.16Å; V9-L13 HydrophobicContact CG1-CD1 3.84Å; V9-L13 HydrophobicContact CG1-CG 4.39Å; V9-L13 WeakPolarHBondContact O-CB 3.34Å; V9-L13 VanDerWaalsContact O-CG 3.25Å; V9-L13 WeakPolarHBondContact O-CG 3.34Å; V9-L13 PolarHBondContact O-N 3.01Å
10M70.4Confident62.5Low115 Ų115114.2 Ų114.257%0.56763%0.625SS**Hα-helixtrans-66.5-36.2176.4-70.7-60.6-6400112.6F6 I7 L13 T14F6-M10 WeakPolarHBondContact O-CB 3.49Å; F6-M10 VanDerWaalsContact O-CG 3.22Å; F6-M10 WeakPolarHBondContact O-CG 3.28Å; F6-M10 PolarHBondContact O-N 2.84Å; I7-M10 PolarHBondContact O-N 2.68Å; M10-L13 HydrophobicContact SD-CD1 4.25Å; M10-T14 WeakPolarHBondContact O-CG2 3.45Å; M10-T14 PolarHBondContact O-N 3.15Å; M10-T14 PolarHBondContact O-OG1 3.27Å
11I70Confident62Low104 Ų104114.3 Ų114.353%0.53363%0.634SS.*Hα-helixtrans-68-42.1175-66.5165.5000110.7I7 G8 T14 S15I7-I11 HydrophobicContact CG2-CD1 3.73Å; I7-I11 HydrophobicContact CG2-CG1 4.47Å; I7-I11 VanDerWaalsContact O-CG1 3.27Å; I7-I11 WeakPolarHBondContact O-CG1 3.15Å; I7-I11 PolarHBondContact O-N 2.96Å; G8-I11 PolarHBondContact O-N 2.96Å; I11-T14 WeakPolarHBondContact CA-OG1 3.38Å; I11-T14 PolarHBondContact O-N 2.95Å; I11-T14 PolarHBondContact O-OG1 3.31Å; I11-S15 WeakPolarHBondContact O-CB 3.3Å; I11-S15 PolarHBondContact O-N 3.21Å; I11-S15 PolarHBondContact O-OG 3.29Å
12L63.3Low61.8Low120 Ų120107.6 Ų107.663%0.62862%0.618SS**Hα-helixtrans-63.5-43.5175.4-72.8169.3000111.8G8 V9 S15 A16G8-L12 WeakPolarHBondContact O-CG 3.41Å; G8-L12 PolarHBondContact O-N 2.99Å; V9-L12 PolarHBondContact O-N 3.16Å; L12-S15 PolarHBondContact O-N 3.31Å; L12-S15 PolarHBondContact O-OG 2.01Å; L12-A16 PolarHBondContact O-N 3.37Å; L12-A16 VanDerWaalsContact O-N 3.08Å
13L63Low62.1Low85 Ų85108.3 Ų108.345%0.44562%0.624SS.*Hα-helixtrans-60.3-47.9176-74.2165.5000111.3V9 M10 S15 A16 F17V9-L13 HydrophobicContact CG1-CD1 3.84Å; V9-L13 HydrophobicContact CG1-CG 4.39Å; V9-L13 WeakPolarHBondContact O-CB 3.34Å; V9-L13 VanDerWaalsContact O-CG 3.25Å; V9-L13 WeakPolarHBondContact O-CG 3.34Å; V9-L13 PolarHBondContact O-N 3.01Å; M10-L13 HydrophobicContact SD-CD1 4.25Å; L13-S15 VanDerWaalsContact C-N 3.33Å; L13-S15 PolarHBondContact O-N 3.07Å; L13-A16 PolarHBondContact O-N 3.3Å; L13-F17 WeakPolarHBondContact O-CD2 3.17Å; L13-F17 WeakPolarHBondContact O-CE2 3.2Å
14T62.6Low62.6Low90 Ų90107.1 Ų107.155%0.55262%0.621SS**Hα-helixtrans-65.6-33.2179.249.50000113.2M10 I11M10-T14 WeakPolarHBondContact O-CG2 3.45Å; M10-T14 PolarHBondContact O-N 3.15Å; M10-T14 PolarHBondContact O-OG1 3.27Å; I11-T14 WeakPolarHBondContact CA-OG1 3.38Å; I11-T14 PolarHBondContact O-N 2.95Å; I11-T14 PolarHBondContact O-OG1 3.31Å
15S59.7Low63.7Low72 Ų72102.3 Ų102.350%0.50361%0.605SS.*Hα-helixtrans-70.6-31.317571.30000113.8I11 L12 L13 F17 S18I11-S15 WeakPolarHBondContact O-CB 3.3Å; I11-S15 PolarHBondContact O-N 3.21Å; I11-S15 PolarHBondContact O-OG 3.29Å; L12-S15 PolarHBondContact O-N 3.31Å; L12-S15 PolarHBondContact O-OG 2.01Å; L13-S15 VanDerWaalsContact C-N 3.33Å; L13-S15 PolarHBondContact O-N 3.07Å; S15-F17 VanDerWaalsContact C-N 3.26Å; S15-F17 PolarHBondContact O-N 3.5Å; S15-S18 PolarHBondContact O-N 2.73Å
16A59.9Low64.9Low77 Ų7797.2 Ų97.264%0.63659%0.585SS**Hα-helixtrans-71.5-19.5-18000000113.4L12 L13L12-A16 PolarHBondContact O-N 3.37Å; L12-A16 VanDerWaalsContact O-N 3.08Å; L13-A16 PolarHBondContact O-N 3.3Å
17F57.2Low66.3Low171 Ų17193.9 Ų93.975%0.7558%0.577SS**THydrogen-bonded Turntrans-92.4-5177.7-65-67.7000114L13 S15L13-F17 WeakPolarHBondContact O-CD2 3.17Å; L13-F17 WeakPolarHBondContact O-CE2 3.2Å; S15-F17 VanDerWaalsContact C-N 3.26Å; S15-F17 PolarHBondContact O-N 3.5Å
18S52Low67.4Low96 Ų9691.5 Ų91.567%0.67157%0.566SS**SBendtrans-91.24-173-168.20000115S15S15-S18 PolarHBondContact O-N 2.73Å
19A49.2Very low68.7Low88 Ų8894.2 Ų94.273%0.72757%0.573SS**SBendtrans-113.459.9-17600000112.2
20C48.4Very low69.7Low129 Ų12991.7 Ų91.787%0.87256%0.558SS**  trans-174.155.7156.7-99.60000110.8G22C20-G22 PolarHBondContact O-N 3.46Å
21S51.7Low70.8Confident117 Ų11788.1 Ų88.182%0.81854%0.544SS*.  trans-85.162.2154.563.50000108.3Q23S21-Q23 PolarHBondContact O-N 3.35Å
22G56.4Low71.9Confident66 Ų6685.9 Ų85.968%0.6853%0.533SS*.PPolyproline II helixtrans-57.8125.1167.800000107.9C20 S24C20-G22 PolarHBondContact O-N 3.46Å; G22-S24 PolarHBondContact O-N 3.11Å
23Q63.7Low73.4Confident187 Ų18785.2 Ų85.287%0.87453%0.53SS*.PPolyproline II helixtrans-59.9125.2175.1-172.8145.5-3.600108S21S21-Q23 PolarHBondContact O-N 3.35Å
24S71.7Confident75Confident75 Ų7585.4 Ų85.452%0.52453%0.525SS..PPolyproline II helixtrans-55.3127-178.6-178.30000108.8G22 M26G22-S24 PolarHBondContact O-N 3.11Å; S24-M26 WeakPolarHBondContact CB-O 3.34Å; S24-M26 PolarHBondContact O-N 3.3Å; S24-M26 PolarHBondContact OG-O 2.91Å
25P86.8Confident76.7Confident61 Ų6181.1 Ų81.140%0.39650%0.498SS..SBendtrans-63.5-14-17725.2-34.1000112.6H40 M43P25-H40 WeakPolarHBondContact O-CB 3.4Å; P25-H40 PolarHBondContact O-N 3.39Å; P25-M43 HydrophobicContact CB-CB 3.94Å
26M91.8Very high78.5Confident55 Ų5579.4 Ų79.427%0.27148%0.483SS..EExtended strand (participates in β ladder)trans-142.7152.717565.6-178.9-173.400111.9S24 T38 I111 V113S24-M26 WeakPolarHBondContact CB-O 3.34Å; S24-M26 PolarHBondContact O-N 3.3Å; S24-M26 PolarHBondContact OG-O 2.91Å; M26-T38 CarbonylContact C-O 3.52Å; M26-T38 WeakPolarHBondContact CA-O 3.31Å; M26-I111 HydrophobicContact CE-CG2 3.85Å; M26-I111 HydrophobicContact SD-CG2 3.85Å; M26-V113 HydrophobicContact CE-CG1 3.95Å; M26-V113 HydrophobicContact SD-CG1 3.74Å
27T95.6Very high80.3Confident75 Ų7575.8 Ų75.846%0.4645%0.453SS..EExtended strand (participates in β ladder)trans-124.9138.6172.1-58.80000109.3L29 V37 T38T27-L29 HydrophobicContact CG2-CG 4.31Å; T27-V37 WeakPolarHBondContact O-CA 2.96Å; T27-T38 PolarHBondContact N-O 2.65Å; T27-T38 PolarHBondContact O-N 3.39Å
28V97Very high82.2Confident34 Ų3469.5 Ų69.521%0.20643%0.429CS..EExtended strand (participates in β ladder)trans-124.2127179.3-170.70000109F35 M36 V37 V113 C115V28-F35 HydrophobicContact CG1-CE1 3.94Å; V28-F35 HydrophobicContact CG1-CE2 4.02Å; V28-F35 HydrophobicContact CG1-CZ 3.47Å; V28-F35 VanDerWaalsContact CG1-CZ 3.47Å; V28-M36 CarbonylContact C-O 3.56Å; V28-M36 WeakPolarHBondContact CA-O 3.48Å; V28-V37 HydrophobicContact CG1-CG2 4.41Å; V28-V37 HydrophobicContact CG2-CG1 4.42Å; V28-V113 HydrophobicContact CG2-CB 3.94Å; V28-V113 HydrophobicContact CG2-CG1 3.98Å; V28-C115 HydrophobicContact CG1-CB 3.8Å
29L97Very high84.3Confident88 Ų8865 Ų6546%0.46140%0.397SS..EExtended strand (participates in β ladder)trans-129.8151176.4-59.8174.2000109.2T27 W34 M36T27-L29 HydrophobicContact CG2-CG 4.31Å; L29-W34 VanDerWaalsContact C-CZ3 3.45Å; L29-W34 HydrophobicContact CB-CH2 3.74Å; L29-W34 HydrophobicContact CB-CZ3 3.69Å; L29-W34 WeakPolarHBondContact O-CZ3 3.22Å; L29-M36 HydrophobicContact CB-CB 4.36Å; L29-M36 PolarHBondContact N-O 3.39Å; L29-M36 PolarHBondContact O-N 3.15Å; L29-M36 VanDerWaalsContact O-O 3.13Å
30C96.3Very high86.5Confident20 Ų2064.5 Ų64.514%0.13538%0.379CS..EExtended strand (participates in β ladder)trans-153.2155.9178.766.10000112W34 F35 Y94 C115 A116C30-W34 WeakPolarHBondContact CA-O 3.36Å; C30-F35 HydrophobicContact CB-CD2 3.87Å; C30-F35 HydrophobicContact CB-CE2 4.42Å; C30-Y94 HydrophobicContact CB-CD2 4.19Å; C30-C115 HydrophobicContact CB-CB 3.66Å; C30-C115 WeakPolarHBondContact CB-SG 3.45Å; C30-C115 PolarHBondContact N-SG 3.46Å; C30-C115 WeakPolarHBondContact SG-CB 3.22Å; C30-C115 CovalentContact SG-SG 2.03Å; C30-C115 PolarHBondContact SG-SG 2.83Å; C30-A116 VanDerWaalsContact SG-C 3.6Å
31S94.1Very high88.6Confident40 Ų4058.4 Ų58.428%0.2834%0.338SS..  trans-131.7-173.5168.4-174.60000108.7D33 W34 Y94S31-D33 PolarHBondContact O-N 3.16Å; S31-W34 VanDerWaalsContact CB-NE1 3.34Å; S31-W34 PolarHBondContact N-O 3.07Å; S31-Y94 WeakPolarHBondContact O-CE2 3.38Å
32I93.3Very high90.4Very high57 Ų5756.4 Ų56.429%0.29232%0.315SS..SBendtrans-62.9-28.3172.157.4168.1000113V77 Y94 P118I32-V77 WeakPolarHBondContact O-CG2 3.42Å; I32-Y94 PolarHBondContact O-OH 3.05Å; I32-P118 WeakPolarHBondContact CG2-O 3.48Å
33D94.2Very high91.9Very high106 Ų10654.5 Ų54.557%0.56729%0.288SS*.SBendtrans-105.3-26-172.8-57.3-48.5000113.4S31 R76 V77S31-D33 PolarHBondContact O-N 3.16Å; D33-R76 VanDerWaalsContact O-CA 3.28Å; D33-R76 WeakPolarHBondContact O-CA 3.38Å; D33-V77 PolarHBondContact O-N 3.16Å; D33-V77 VanDerWaalsContact O-N 3.15Å
34W96.1Very high92.9Very high90 Ų9048.8 Ų48.834%0.34126%0.264SS..EExtended strand (participates in β ladder)trans-138153.5-170.762.7-98.7000113.5L29 C30 S31 M36 Y75L29-W34 VanDerWaalsContact C-CZ3 3.45Å; L29-W34 HydrophobicContact CB-CH2 3.74Å; L29-W34 HydrophobicContact CB-CZ3 3.69Å; L29-W34 WeakPolarHBondContact O-CZ3 3.22Å; C30-W34 WeakPolarHBondContact CA-O 3.36Å; S31-W34 VanDerWaalsContact CB-NE1 3.34Å; S31-W34 PolarHBondContact N-O 3.07Å; W34-M36 HydrophobicContact CE3-CB 3.7Å; W34-M36 HydrophobicContact CE3-CE 4.37Å; W34-M36 HydrophobicContact CH2-CE 4.5Å; W34-M36 HydrophobicContact CZ3-CB 3.4Å; W34-M36 HydrophobicContact CZ3-CE 4.12Å; W34-Y75 CarbonylContact C-O 3.55Å; W34-Y75 VanDerWaalsContact CA-O 3.3Å; W34-Y75 WeakPolarHBondContact CA-O 3.3Å
35F98.1Very high93.3Very high0 Ų048.9 Ų48.90%026%0.258CS..EExtended strand (participates in β ladder)trans-128.1126.8173.8-167.7-90.5000108.8V28 C30 V37 T74 Y75 V77 I82 Y94 T96 V113 C115V28-F35 HydrophobicContact CG1-CE1 3.94Å; V28-F35 HydrophobicContact CG1-CE2 4.02Å; V28-F35 HydrophobicContact CG1-CZ 3.47Å; V28-F35 VanDerWaalsContact CG1-CZ 3.47Å; C30-F35 HydrophobicContact CB-CD2 3.87Å; C30-F35 HydrophobicContact CB-CE2 4.42Å; F35-V37 HydrophobicContact CD1-CG2 3.88Å; F35-V37 HydrophobicContact CE1-CG2 3.37Å; F35-V37 HydrophobicContact CZ-CG2 4.4Å; F35-T74 WeakPolarHBondContact O-CA 3.26Å; F35-Y75 PolarHBondContact N-O 3.05Å; F35-Y75 PolarHBondContact O-N 2.98Å; F35-V77 HydrophobicContact CB-CG1 4.37Å; F35-I82 HydrophobicContact CB-CD1 3.67Å; F35-I82 HydrophobicContact CB-CG1 4.49Å; F35-I82 HydrophobicContact CD1-CD1 4.37Å; F35-I82 HydrophobicContact CD2-CG2 4.42Å; F35-I82 HydrophobicContact CG-CD1 4.18Å; F35-I82 HydrophobicContact CG-CG2 4.49Å; F35-Y94 HydrophobicContact CD2-CG 4.43Å; F35-T96 HydrophobicContact CD1-CG2 4.15Å; F35-T96 HydrophobicContact CE1-CG2 3.58Å; F35-T96 HydrophobicContact CZ-CG2 4.07Å; F35-V113 HydrophobicContact CE1-CG2 3.99Å; F35-V113 HydrophobicContact CZ-CB 4.48Å; F35-V113 HydrophobicContact CZ-CG2 4.1Å; F35-C115 HydrophobicContact CE2-CB 4.09Å
36M98.3Very high93Very high36 Ų3652.3 Ų52.318%0.17727%0.273CS..EExtended strand (participates in β ladder)trans-123.8127.3-176-171.1-177.4-67.100110.5V28 L29 W34 Q72 F73 T74V28-M36 CarbonylContact C-O 3.56Å; V28-M36 WeakPolarHBondContact CA-O 3.48Å; L29-M36 HydrophobicContact CB-CB 4.36Å; L29-M36 PolarHBondContact N-O 3.39Å; L29-M36 PolarHBondContact O-N 3.15Å; L29-M36 VanDerWaalsContact O-O 3.13Å; W34-M36 HydrophobicContact CE3-CB 3.7Å; W34-M36 HydrophobicContact CE3-CE 4.37Å; W34-M36 HydrophobicContact CH2-CE 4.5Å; W34-M36 HydrophobicContact CZ3-CB 3.4Å; W34-M36 HydrophobicContact CZ3-CE 4.12Å; M36-Q72 VanDerWaalsContact CE-NE2 3.3Å; M36-Q72 HydrophobicContact CG-CG 3.96Å; M36-Q72 HydrophobicContact SD-CG 4.38Å; M36-Q72 PolarHBondContact SD-NE2 3.39Å; M36-F73 CarbonylContact C-O 3.57Å; M36-F73 WeakPolarHBondContact CA-O 3.45Å; M36-T74 HydrophobicContact CB-CG2 4.48Å; M36-T74 HydrophobicContact CE-CG2 3.7Å
37V98Very high92.4Very high0 Ų056.2 Ų56.20%030%0.295CS..EExtended strand (participates in β ladder)trans-120.4126.8170.1-171.30000108.2T27 V28 F35 V39 L57 Q72 F73 I98 V113T27-V37 WeakPolarHBondContact O-CA 2.96Å; V28-V37 HydrophobicContact CG1-CG2 4.41Å; V28-V37 HydrophobicContact CG2-CG1 4.42Å; F35-V37 HydrophobicContact CD1-CG2 3.88Å; F35-V37 HydrophobicContact CE1-CG2 3.37Å; F35-V37 HydrophobicContact CZ-CG2 4.4Å; V37-V39 HydrophobicContact CG1-CG2 3.81Å; V37-L57 HydrophobicContact CG2-CD1 3.94Å; V37-Q72 CarbonylContact O-C 3.6Å; V37-Q72 WeakPolarHBondContact O-CA 3.31Å; V37-F73 HydrophobicContact CB-CB 4.35Å; V37-F73 HydrophobicContact CB-CD2 4.5Å; V37-F73 PolarHBondContact N-O 3.19Å; V37-F73 PolarHBondContact O-N 2.81Å; V37-I98 HydrophobicContact CB-CD1 4.41Å; V37-I98 HydrophobicContact CG1-CD1 4.1Å; V37-I98 HydrophobicContact CG1-CG1 4.2Å; V37-V113 HydrophobicContact CG2-CG2 4.1Å
38T97.3Very high91.7Very high40 Ų4056.3 Ų56.325%0.24530%0.295CS..EExtended strand (participates in β ladder)trans-111.3120.8171.9-560000108.2M26 T27 A70 Y71M26-T38 CarbonylContact C-O 3.52Å; M26-T38 WeakPolarHBondContact CA-O 3.31Å; T27-T38 PolarHBondContact N-O 2.65Å; T27-T38 PolarHBondContact O-N 3.39Å; T38-A70 HydrophobicContact CG2-CB 3.91Å; T38-Y71 CarbonylContact C-O 3.59Å; T38-Y71 WeakPolarHBondContact CA-O 3.42Å
39V95.9Very high91.3Very high1 Ų158.1 Ų58.11%0.00631%0.309CS..EExtended strand (participates in β ladder)trans-114.1131-175.2-179.90000109.2V37 M43 L55 A70 Y71 F73 I98V37-V39 HydrophobicContact CG1-CG2 3.81Å; V39-M43 HydrophobicContact CG1-CB 4.07Å; V39-M43 HydrophobicContact CG1-CG 3.94Å; V39-M43 HydrophobicContact CG1-SD 3.2Å; V39-M43 WeakPolarHBondContact CG1-SD 3.44Å; V39-L55 HydrophobicContact CG1-CD1 3.97Å; V39-A70 CarbonylContact O-C 3.58Å; V39-A70 WeakPolarHBondContact O-CA 3.48Å; V39-Y71 PolarHBondContact N-O 2.85Å; V39-Y71 PolarHBondContact O-N 2.89Å; V39-F73 HydrophobicContact CG2-CD2 4.36Å; V39-F73 HydrophobicContact CG2-CE2 4.07Å; V39-I98 HydrophobicContact CG2-CD1 4.44Å
40H94.5Very high91Very high77 Ų7754 Ų5436%0.35629%0.287SS..  trans-81.7132.8171.1-166.410.9000110P25 F42 M43 H69P25-H40 WeakPolarHBondContact O-CB 3.4Å; P25-H40 PolarHBondContact O-N 3.39Å; H40-F42 AromaticContact CE1-CD2 3.72Å; H40-F42 AromaticContact NE2-CD2 3.9Å; H40-F42 PolarHBondContact O-N 2.87Å; H40-M43 VanDerWaalsContact O-CB 3.27Å; H40-M43 WeakPolarHBondContact O-CB 2.99Å; H40-M43 PolarHBondContact O-N 2.97Å; H40-H69 PolarHBondContact ND1-O 3.27Å
41P92.4Very high90.9Very high1 Ų157.5 Ų57.51%0.00630%0.302CS..THydrogen-bonded Turntrans-46.7-28.8176.1-16.70.6000116.3M43 C49 V50 P68 H69 Y71P41-M43 VanDerWaalsContact C-N 3.3Å; P41-M43 PolarHBondContact O-N 3.04Å; P41-C49 VanDerWaalsContact CB-SG 3.51Å; P41-V50 WeakPolarHBondContact O-CB 3.33Å; P41-V50 PolarHBondContact O-N 3.43Å; P41-P68 WeakPolarHBondContact CG-O 3.43Å; P41-H69 WeakPolarHBondContact CD-O 3.47Å; P41-Y71 HydrophobicContact CB-CE2 3.96Å; P41-Y71 HydrophobicContact CG-CE1 4.21Å; P41-Y71 HydrophobicContact CG-CE2 4.05Å
42F90Very high90.9Very high76 Ų7658.3 Ų58.333%0.33330%0.3SS..THydrogen-bonded Turntrans-91.225.1178-59.7-70.9000114H40 L44 N45 N46 C49H40-F42 AromaticContact CE1-CD2 3.72Å; H40-F42 AromaticContact NE2-CD2 3.9Å; H40-F42 PolarHBondContact O-N 2.87Å; F42-L44 PolarHBondContact O-N 2.94Å; F42-L44 VanDerWaalsContact O-N 3.16Å; F42-N45 CarbonylContact O-C 3.6Å; F42-N45 PolarHBondContact O-N 2.7Å; F42-N46 WeakPolarHBondContact CD1-O 3.41Å; F42-C49 HydrophobicContact CD1-CB 4.4Å; F42-C49 HydrophobicContact CE1-CB 3.79Å; F42-C49 HydrophobicContact CZ-CB 4.24Å
43M87.8Confident90.9Very high25 Ų2560.4 Ų60.412%0.12331%0.308CS..SBendtrans-61.3-25.5-172.563.4169.9-137.300115.3P25 V39 H40 P41 V50 L55 I111P25-M43 HydrophobicContact CB-CB 3.94Å; V39-M43 HydrophobicContact CG1-CB 4.07Å; V39-M43 HydrophobicContact CG1-CG 3.94Å; V39-M43 HydrophobicContact CG1-SD 3.2Å; V39-M43 WeakPolarHBondContact CG1-SD 3.44Å; H40-M43 VanDerWaalsContact O-CB 3.27Å; H40-M43 WeakPolarHBondContact O-CB 2.99Å; H40-M43 PolarHBondContact O-N 2.97Å; P41-M43 VanDerWaalsContact C-N 3.3Å; P41-M43 PolarHBondContact O-N 3.04Å; M43-V50 HydrophobicContact CG-CG2 4.34Å; M43-L55 HydrophobicContact CE-CD2 3.54Å; M43-L55 HydrophobicContact SD-CD1 4.32Å; M43-L55 HydrophobicContact SD-CD2 4.02Å; M43-I111 HydrophobicContact CE-CD1 3.49Å; M43-I111 VanDerWaalsContact CE-CD1 3.49Å; M43-I111 HydrophobicContact SD-CD1 4.19Å
44L84.3Confident91Very high68 Ų6856.4 Ų56.436%0.35629%0.286SS..SBendtrans-92.8-42.9-178.3-64.3179000112.1F42 V50 Y100 F109F42-L44 PolarHBondContact O-N 2.94Å; F42-L44 VanDerWaalsContact O-N 3.16Å; L44-V50 HydrophobicContact CD1-CG2 3.79Å; L44-V50 HydrophobicContact CG-CG2 4.03Å; L44-Y100 HydrophobicContact CD1-CD1 3.95Å; L44-Y100 HydrophobicContact CD1-CD2 4.03Å; L44-Y100 HydrophobicContact CD1-CE1 3.79Å; L44-Y100 HydrophobicContact CD1-CE2 3.91Å; L44-Y100 HydrophobicContact CD1-CG 4.01Å; L44-F109 HydrophobicContact CD1-CD2 3.91Å; L44-F109 HydrophobicContact CD1-CE2 4.08Å; L44-F109 HydrophobicContact CD2-CD2 3.97Å; L44-F109 HydrophobicContact CD2-CE2 4.49Å; L44-F109 HydrophobicContact CD2-CG 4.47Å
45N80.8Confident91Very high76 Ų7652.1 Ų52.141%0.40627%0.27SS..BIsolated β-bridgetrans-157.5149.5176.3-172.46.7000108.9F42 D47 V48F42-N45 CarbonylContact O-C 3.6Å; F42-N45 PolarHBondContact O-N 2.7Å; N45-D47 PolarHBondContact ND2-OD2 3.17Å; N45-D47 PolarHBondContact O-N 2.82Å; N45-V48 PolarHBondContact O-N 3.29Å
46N80.3Confident90.9Very high133 Ų13354.9 Ų54.971%0.71128%0.283SS*.THydrogen-bonded Turntrans-65.1-19.9178.1-65.3-45.2000113.4F42F42-N46 WeakPolarHBondContact CD1-O 3.41Å
47D79.8Confident90.9Very high138 Ų13853.2 Ų53.274%0.73828%0.275SS*.THydrogen-bonded Turntrans-92.9-12.2-177.3-54.1-46.8000113.6N45N45-D47 PolarHBondContact ND2-OD2 3.17Å; N45-D47 PolarHBondContact O-N 2.82Å
48V81.4Confident90.9Very high76 Ų7654 Ų5446%0.46128%0.282SS..BIsolated β-bridgetrans-125.3112.9-173-176.90000109.8N45 V50N45-V48 PolarHBondContact O-N 3.29Å; V48-V50 PolarHBondContact O-N 3.18Å
49C87Confident90.9Very high73 Ų7359 Ų5949%0.49331%0.307SS..PPolyproline II helixtrans-79.1116.9173.3-173.60000109.5P41 F42P41-C49 VanDerWaalsContact CB-SG 3.51Å; F42-C49 HydrophobicContact CD1-CB 4.4Å; F42-C49 HydrophobicContact CE1-CB 3.79Å; F42-C49 HydrophobicContact CZ-CB 4.24Å
50V91.5Very high90.9Very high0 Ų060.9 Ų60.90%033%0.326CS..PPolyproline II helixtrans-74.1131170.5176.10000108.8P41 M43 L44 V48 E54 L55 Y71 Y100P41-V50 WeakPolarHBondContact O-CB 3.33Å; P41-V50 PolarHBondContact O-N 3.43Å; M43-V50 HydrophobicContact CG-CG2 4.34Å; L44-V50 HydrophobicContact CD1-CG2 3.79Å; L44-V50 HydrophobicContact CG-CG2 4.03Å; V48-V50 PolarHBondContact O-N 3.18Å; V50-E54 HydrophobicContact CG1-CB 4.23Å; V50-L55 HydrophobicContact CG1-CD1 3.72Å; V50-L55 HydrophobicContact CG1-CD2 3.94Å; V50-L55 HydrophobicContact CG1-CG 3.61Å; V50-Y71 WeakPolarHBondContact O-CE2 3.45Å; V50-Y71 PolarHBondContact O-OH 2.79Å; V50-Y100 HydrophobicContact CB-CE2 4.4Å; V50-Y100 HydrophobicContact CG1-CD2 3.67Å; V50-Y100 HydrophobicContact CG1-CE2 3.71Å; V50-Y100 HydrophobicContact CG2-CD2 4.27Å; V50-Y100 HydrophobicContact CG2-CE2 3.95Å
51H93.2Very high91Very high95 Ų9558.3 Ų58.344%0.4432%0.317SS..PPolyproline II helixtrans-81.5145.6175.2-161.9-103.3000110.6H53 E54H51-H53 AromaticContact CE1-CE1 3.93Å; H51-H53 AromaticContact CE1-ND1 3.13Å; H51-H53 PolarHBondContact CE1-ND1 3.25Å; H51-H53 AromaticContact ND1-CG 3.89Å; H51-H53 AromaticContact ND1-ND1 3.26Å; H51-H53 PolarHBondContact ND1-ND1 2.84Å; H51-H53 PolarHBondContact O-N 2.87Å; H51-H53 VanDerWaalsContact O-N 3.12Å; H51-E54 HydrophobicContact CB-CG 4.21Å; H51-E54 PolarHBondContact N-OE2 3.03Å; H51-E54 WeakPolarHBondContact O-CB 3.44Å; H51-E54 PolarHBondContact O-N 3.15Å
52F94.5Very high91.3Very high56 Ų5661.7 Ų61.725%0.24634%0.339CS..G310 helixtrans-61.1-26.9-176.270.1-91.1000114.1E54 L55 P63 V66 Y71F52-E54 PolarHBondContact O-N 3.42Å; F52-L55 PolarHBondContact O-N 2.94Å; F52-P63 HydrophobicContact CB-CG 3.91Å; F52-P63 HydrophobicContact CD2-CG 4.07Å; F52-P63 HydrophobicContact CG-CG 4.48Å; F52-V66 HydrophobicContact CB-CG1 4.09Å; F52-V66 HydrophobicContact CB-CG2 4.08Å; F52-V66 HydrophobicContact CD1-CG1 3.72Å; F52-V66 HydrophobicContact CD2-CG1 4.45Å; F52-V66 HydrophobicContact CD2-CG2 3.8Å; F52-V66 HydrophobicContact CE1-CG1 4.14Å; F52-V66 HydrophobicContact CE2-CG2 4.24Å; F52-V66 HydrophobicContact CG-CG1 3.86Å; F52-V66 HydrophobicContact CG-CG2 3.91Å; F52-Y71 HydrophobicContact CB-CD1 3.81Å; F52-Y71 HydrophobicContact CB-CD2 4.16Å; F52-Y71 HydrophobicContact CB-CE1 3.81Å; F52-Y71 HydrophobicContact CB-CE2 4.13Å; F52-Y71 HydrophobicContact CB-CG 3.97Å
53H94.7Very high91.6Very high101 Ų10158.8 Ų58.847%0.46833%0.328SS..G310 helixtrans-76-8.5174.9-69.594.1000114.4H51 L55 H56H51-H53 AromaticContact CE1-CE1 3.93Å; H51-H53 AromaticContact CE1-ND1 3.13Å; H51-H53 PolarHBondContact CE1-ND1 3.25Å; H51-H53 AromaticContact ND1-CG 3.89Å; H51-H53 AromaticContact ND1-ND1 3.26Å; H51-H53 PolarHBondContact ND1-ND1 2.84Å; H51-H53 PolarHBondContact O-N 2.87Å; H51-H53 VanDerWaalsContact O-N 3.12Å; H53-L55 VanDerWaalsContact C-N 3.32Å; H53-H56 PolarHBondContact O-NE2 2.02Å
54E94.9Very high92.1Very high22 Ų2261.3 Ų61.310%0.10334%0.342CS..G310 helixtrans-90.5-5.3174.3-63.3-179.4126.300111.3V50 H51 F52 Y100 S101 S102 K103V50-E54 HydrophobicContact CG1-CB 4.23Å; H51-E54 HydrophobicContact CB-CG 4.21Å; H51-E54 PolarHBondContact N-OE2 3.03Å; H51-E54 WeakPolarHBondContact O-CB 3.44Å; H51-E54 PolarHBondContact O-N 3.15Å; F52-E54 PolarHBondContact O-N 3.42Å; E54-Y100 HydrophobicContact CB-CD2 4.05Å; E54-Y100 HydrophobicContact CB-CE2 3.96Å; E54-Y100 CarbonylContact O-C 3.58Å; E54-Y100 VanDerWaalsContact O-CA 3.28Å; E54-Y100 WeakPolarHBondContact O-CA 3.41Å; E54-S101 WeakPolarHBondContact CB-O 3.2Å; E54-S101 PolarHBondContact O-N 2.88Å; E54-S102 WeakPolarHBondContact OE1-CA 3.23Å; E54-K103 HydrophobicContact CG-CG 3.97Å; E54-K103 PolarHBondContact OE1-N 2.68Å
55L95.9Very high92.7Very high0 Ų062.2 Ų62.20%034%0.344CS..EExtended strand (participates in β ladder)trans-115.9134.2-176.4-65.8173000111.9V39 M43 V50 F52 H53 Y71 F73 I98 H99 Y100V39-L55 HydrophobicContact CG1-CD1 3.97Å; M43-L55 HydrophobicContact CE-CD2 3.54Å; M43-L55 HydrophobicContact SD-CD1 4.32Å; M43-L55 HydrophobicContact SD-CD2 4.02Å; V50-L55 HydrophobicContact CG1-CD1 3.72Å; V50-L55 HydrophobicContact CG1-CD2 3.94Å; V50-L55 HydrophobicContact CG1-CG 3.61Å; F52-L55 PolarHBondContact O-N 2.94Å; H53-L55 VanDerWaalsContact C-N 3.32Å; L55-Y71 HydrophobicContact CD1-CD2 3.69Å; L55-Y71 HydrophobicContact CD1-CE2 4.19Å; L55-F73 HydrophobicContact CB-CZ 3.82Å; L55-I98 HydrophobicContact CD2-CG2 3.98Å; L55-H99 WeakPolarHBondContact CA-O 3.36Å; L55-Y100 HydrophobicContact CD2-CD2 4.09Å
56H97.1Very high93.5Very high59 Ų5961.5 Ų61.527%0.27334%0.342SS..EExtended strand (participates in β ladder)trans-139.9146176.1-57.4-91.3000111H53 G60 C61 H99H53-H56 PolarHBondContact O-NE2 2.02Å; H56-G60 PolarHBondContact ND1-O 3.28Å; H56-C61 CarbonylContact C-O 3.56Å; H56-C61 VanDerWaalsContact CA-O 3.31Å; H56-C61 WeakPolarHBondContact CA-O 3.45Å; H56-H99 PolarHBondContact N-O 2.76Å; H56-H99 PolarHBondContact O-N 3.16Å
57L98.1Very high94.1Very high0 Ų059.2 Ų59.20%033%0.327CS..EExtended strand (participates in β ladder)trans-94.1128.5173.5-170.580.7000110.1V37 L59 G60 C61 F73 Y75 C80 I82 T96 I98 V113V37-L57 HydrophobicContact CG2-CD1 3.94Å; L57-L59 PolarHBondContact O-N 2.92Å; L57-L59 VanDerWaalsContact O-N 3.07Å; L57-G60 PolarHBondContact O-N 2.8Å; L57-C61 HydrophobicContact CB-CB 4.27Å; L57-C61 PolarHBondContact N-O 2.53Å; L57-C61 WeakPolarHBondContact O-CB 3.44Å; L57-C61 PolarHBondContact O-N 2.83Å; L57-F73 HydrophobicContact CB-CB 4.38Å; L57-F73 HydrophobicContact CB-CD1 3.72Å; L57-F73 HydrophobicContact CB-CE1 4.34Å; L57-F73 HydrophobicContact CB-CG 4.26Å; L57-F73 HydrophobicContact CD2-CB 4.21Å; L57-Y75 HydrophobicContact CD2-CD2 3.71Å; L57-Y75 HydrophobicContact CD2-CE2 4.4Å; L57-C80 HydrophobicContact CD2-CB 4.2Å; L57-I82 HydrophobicContact CD2-CD1 4.44Å; L57-T96 HydrophobicContact CD1-CG2 3.54Å; L57-T96 HydrophobicContact CD2-CG2 4.32Å; L57-T96 HydrophobicContact CG-CG2 3.96Å; L57-I98 HydrophobicContact CB-CD1 4.36Å; L57-I98 HydrophobicContact CD1-CD1 3.41Å; L57-I98 VanDerWaalsContact CD1-CD1 3.41Å; L57-I98 HydrophobicContact CD1-CG1 4.16Å; L57-V113 HydrophobicContact CD1-CG2 4.48Å
58G97.5Very high94.6Very high16 Ų1657.8 Ų57.817%0.16533%0.326CS..THydrogen-bonded Turntrans46.3-110.5175.500000112.8G60 C80 E97 H99G58-G60 PolarHBondContact O-N 2.79Å; G58-C80 WeakPolarHBondContact CA-O 3.49Å; G58-E97 PolarHBondContact N-O 3.25Å; G58-H99 PolarHBondContact O-CD2 3.44Å; G58-H99 PolarHBondContact O-NE2 3Å
59L96.7Very high95Very high146 Ų14660.6 Ų60.676%0.76433%0.333SS*.THydrogen-bonded Turntrans-72.927-176.3-58.3177.4000115.1L57 C80L57-L59 PolarHBondContact O-N 2.92Å; L57-L59 VanDerWaalsContact O-N 3.07Å; L59-C80 PolarHBondContact N-O 3.32Å
60G96.3Very high95.3Very high40 Ų4058 Ų5841%0.41232%0.317SS..THydrogen-bonded Turntrans96.111.3176.900000115.1H56 L57 G58H56-G60 PolarHBondContact ND1-O 3.28Å; L57-G60 PolarHBondContact O-N 2.8Å; G58-G60 PolarHBondContact O-N 2.79Å
61C97.9Very high95.6Very high24 Ų2458.6 Ų58.616%0.16232%0.32CS..BIsolated β-bridgetrans-67127.4-176.7-71.70000112.1H56 L57 Y75 C80H56-C61 CarbonylContact C-O 3.56Å; H56-C61 VanDerWaalsContact CA-O 3.31Å; H56-C61 WeakPolarHBondContact CA-O 3.45Å; L57-C61 HydrophobicContact CB-CB 4.27Å; L57-C61 PolarHBondContact N-O 2.53Å; L57-C61 WeakPolarHBondContact O-CB 3.44Å; L57-C61 PolarHBondContact O-N 2.83Å; C61-Y75 HydrophobicContact CB-CD2 4.45Å; C61-Y75 HydrophobicContact CB-CE1 4.21Å; C61-Y75 HydrophobicContact CB-CE2 3.8Å; C61-C80 HydrophobicContact CB-CB 3.77Å; C61-C80 WeakPolarHBondContact CB-SG 3.37Å; C61-C80 WeakPolarHBondContact SG-CA 3.19Å; C61-C80 WeakPolarHBondContact SG-CB 3.47Å; C61-C80 CovalentContact SG-SG 2.02Å; C61-C80 PolarHBondContact SG-SG 3.26Å
62P97.6Very high95.8Very high71 Ų7156.1 Ų56.146%0.46131%0.308SS..PPolyproline II helixtrans-73.9168.5-179.431.3-35.7000112.2F73 Y75P62-F73 VanDerWaalsContact C-CE1 3.46Å; P62-F73 WeakPolarHBondContact O-CD1 3.43Å; P62-Y75 WeakPolarHBondContact O-CE2 3.28Å; P62-Y75 PolarHBondContact O-OH 2.87Å
63P97.4Very high96Very high16 Ų1653.5 Ų53.510%0.10430%0.297CS..PPolyproline II helixtrans-66.8138.6168.223.2-26.9000110.2F52 V66 Q72 F73F52-P63 HydrophobicContact CB-CG 3.91Å; F52-P63 HydrophobicContact CD2-CG 4.07Å; F52-P63 HydrophobicContact CG-CG 4.48Å; P63-V66 HydrophobicContact CB-CG2 4.11Å; P63-V66 HydrophobicContact CG-CG2 3.94Å; P63-Q72 CarbonylContact C-O 3.55Å; P63-Q72 WeakPolarHBondContact CA-O 3.47Å; P63-F73 HydrophobicContact CB-CD1 4.19Å; P63-F73 HydrophobicContact CB-CD2 4.4Å; P63-F73 HydrophobicContact CB-CE1 3.83Å; P63-F73 HydrophobicContact CB-CE2 4.03Å; P63-F73 HydrophobicContact CB-CG 4.46Å; P63-F73 HydrophobicContact CB-CZ 3.72Å; P63-F73 HydrophobicContact CG-CE1 4.14Å; P63-F73 HydrophobicContact CG-CZ 3.98Å
64N97.1Very high96.2Very high77 Ų7750.7 Ų50.741%0.41229%0.287SS..SBendtrans-93.8-17.2177.952.645.7000113.6Q72 T74N64-Q72 PolarHBondContact N-O 2.91Å; N64-Q72 PolarHBondContact OD1-O 2.89Å; N64-T74 VanDerWaalsContact ND2-C 3.27Å; N64-T74 WeakPolarHBondContact ND2-CA 3.34Å; N64-T74 PolarHBondContact ND2-N 2.83Å; N64-T74 PolarHBondContact ND2-O 2.82Å; N64-T74 PolarHBondContact OD1-N 3.42Å
65H96.8Very high96.3Very high88 Ų8851.6 Ų51.641%0.40729%0.289SS..EExtended strand (participates in β ladder)trans-135.4122.7172.2-168.9-95.1000109.9Q67 Q72H65-Q67 WeakPolarHBondContact CE1-CG 3.22Å; H65-Q67 PolarHBondContact CE1-NE2 3Å; H65-Q67 WeakPolarHBondContact ND1-CG 2.96Å; H65-Q67 PolarHBondContact ND1-NE2 2.97Å; H65-Q67 VanDerWaalsContact ND1-NE2 3.19Å; H65-Q72 HydrophobicContact CB-CB 4.14Å; H65-Q72 PolarHBondContact N-O 3.18Å; H65-Q72 PolarHBondContact O-N 2.03Å
66V96.9Very high96.4Very high60 Ų6059.5 Ų59.536%0.36432%0.319SS..EExtended strand (participates in β ladder)trans-117.9118.7-175.3178.60000108.1F52 P63 Y71F52-V66 HydrophobicContact CB-CG1 4.09Å; F52-V66 HydrophobicContact CB-CG2 4.08Å; F52-V66 HydrophobicContact CD1-CG1 3.72Å; F52-V66 HydrophobicContact CD2-CG1 4.45Å; F52-V66 HydrophobicContact CD2-CG2 3.8Å; F52-V66 HydrophobicContact CE1-CG1 4.14Å; F52-V66 HydrophobicContact CE2-CG2 4.24Å; F52-V66 HydrophobicContact CG-CG1 3.86Å; F52-V66 HydrophobicContact CG-CG2 3.91Å; P63-V66 HydrophobicContact CB-CG2 4.11Å; P63-V66 HydrophobicContact CG-CG2 3.94Å; V66-Y71 HydrophobicContact CG1-CD1 3.84Å; V66-Y71 HydrophobicContact CG1-CE1 3.91Å
67Q94Very high96.4Very high86 Ų8657.6 Ų57.640%0.40231%0.312SS..EExtended strand (participates in β ladder)trans-119.8157.6172.5-56.7177.624.200109H65 H69 A70H65-Q67 WeakPolarHBondContact CE1-CG 3.22Å; H65-Q67 PolarHBondContact CE1-NE2 3Å; H65-Q67 WeakPolarHBondContact ND1-CG 2.96Å; H65-Q67 PolarHBondContact ND1-NE2 2.97Å; H65-Q67 VanDerWaalsContact ND1-NE2 3.19Å; Q67-H69 PolarHBondContact O-N 2.82Å; Q67-A70 WeakPolarHBondContact CA-O 3.38Å; Q67-A70 HydrophobicContact CB-CB 4.45Å; Q67-A70 WeakPolarHBondContact CB-O 3.06Å; Q67-A70 PolarHBondContact N-O 3.26Å; Q67-A70 PolarHBondContact O-N 2.83Å; Q67-A70 VanDerWaalsContact O-O 3.11Å
68P89.6Confident96.3Very high108 Ų10863.5 Ų63.570%0.70135%0.348SS*.THydrogen-bonded Turntrans-54.8-25.1177.4-27.735.8000114.6P41P41-P68 WeakPolarHBondContact CG-O 3.43Å
69H90.1Very high96.3Very high135 Ų13566.5 Ų66.563%0.62536%0.358SS*.THydrogen-bonded Turntrans-118-1.3-175.3-50.8-42.4000113.5H40 P41 Q67H40-H69 PolarHBondContact ND1-O 3.27Å; P41-H69 WeakPolarHBondContact CD-O 3.47Å; Q67-H69 PolarHBondContact O-N 2.82Å
70A94.6Very high96.3Very high19 Ų1960.2 Ų60.216%0.15733%0.326CS..EExtended strand (participates in β ladder)trans-158.2132.5-175.500000111.9T38 V39 Q67T38-A70 HydrophobicContact CG2-CB 3.91Å; V39-A70 CarbonylContact O-C 3.58Å; V39-A70 WeakPolarHBondContact O-CA 3.48Å; Q67-A70 WeakPolarHBondContact CA-O 3.38Å; Q67-A70 HydrophobicContact CB-CB 4.45Å; Q67-A70 WeakPolarHBondContact CB-O 3.06Å; Q67-A70 PolarHBondContact N-O 3.26Å; Q67-A70 PolarHBondContact O-N 2.83Å; Q67-A70 VanDerWaalsContact O-O 3.11Å
71Y97.1Very high96.3Very high12 Ų1259.8 Ų59.85%0.04732%0.321CS..EExtended strand (participates in β ladder)trans-110.6126.2169.1-47.3-41.1000108.9T38 V39 P41 V50 F52 L55 V66T38-Y71 CarbonylContact C-O 3.59Å; T38-Y71 WeakPolarHBondContact CA-O 3.42Å; V39-Y71 PolarHBondContact N-O 2.85Å; V39-Y71 PolarHBondContact O-N 2.89Å; P41-Y71 HydrophobicContact CB-CE2 3.96Å; P41-Y71 HydrophobicContact CG-CE1 4.21Å; P41-Y71 HydrophobicContact CG-CE2 4.05Å; V50-Y71 WeakPolarHBondContact O-CE2 3.45Å; V50-Y71 PolarHBondContact O-OH 2.79Å; F52-Y71 HydrophobicContact CB-CD1 3.81Å; F52-Y71 HydrophobicContact CB-CD2 4.16Å; F52-Y71 HydrophobicContact CB-CE1 3.81Å; F52-Y71 HydrophobicContact CB-CE2 4.13Å; F52-Y71 HydrophobicContact CB-CG 3.97Å; L55-Y71 HydrophobicContact CD1-CD2 3.69Å; L55-Y71 HydrophobicContact CD1-CE2 4.19Å; V66-Y71 HydrophobicContact CG1-CD1 3.84Å; V66-Y71 HydrophobicContact CG1-CE1 3.91Å
72Q97.9Very high96.3Very high43 Ų4359.4 Ų59.420%0.20132%0.317CS..EExtended strand (participates in β ladder)trans-116.9131.5-173.1-171.1-179.3-20.100110.9M36 V37 P63 N64 H65 T74M36-Q72 VanDerWaalsContact CE-NE2 3.3Å; M36-Q72 HydrophobicContact CG-CG 3.96Å; M36-Q72 HydrophobicContact SD-CG 4.38Å; M36-Q72 PolarHBondContact SD-NE2 3.39Å; V37-Q72 CarbonylContact O-C 3.6Å; V37-Q72 WeakPolarHBondContact O-CA 3.31Å; P63-Q72 CarbonylContact C-O 3.55Å; P63-Q72 WeakPolarHBondContact CA-O 3.47Å; N64-Q72 PolarHBondContact N-O 2.91Å; N64-Q72 PolarHBondContact OD1-O 2.89Å; H65-Q72 HydrophobicContact CB-CB 4.14Å; H65-Q72 PolarHBondContact N-O 3.18Å; H65-Q72 PolarHBondContact O-N 2.03Å; Q72-T74 WeakPolarHBondContact CG-OG1 3.34Å; Q72-T74 PolarHBondContact NE2-OG1 2.81Å
73F98.4Very high96.3Very high0 Ų062.3 Ų62.30%032%0.319CS..EExtended strand (participates in β ladder)trans-115.697.7176.4-58.1-101000107.3M36 V37 V39 L55 L57 P62 P63 Y75 I98M36-F73 CarbonylContact C-O 3.57Å; M36-F73 WeakPolarHBondContact CA-O 3.45Å; V37-F73 HydrophobicContact CB-CB 4.35Å; V37-F73 HydrophobicContact CB-CD2 4.5Å; V37-F73 PolarHBondContact N-O 3.19Å; V37-F73 PolarHBondContact O-N 2.81Å; V39-F73 HydrophobicContact CG2-CD2 4.36Å; V39-F73 HydrophobicContact CG2-CE2 4.07Å; L55-F73 HydrophobicContact CB-CZ 3.82Å; L57-F73 HydrophobicContact CB-CB 4.38Å; L57-F73 HydrophobicContact CB-CD1 3.72Å; L57-F73 HydrophobicContact CB-CE1 4.34Å; L57-F73 HydrophobicContact CB-CG 4.26Å; L57-F73 HydrophobicContact CD2-CB 4.21Å; P62-F73 VanDerWaalsContact C-CE1 3.46Å; P62-F73 WeakPolarHBondContact O-CD1 3.43Å; P63-F73 HydrophobicContact CB-CD1 4.19Å; P63-F73 HydrophobicContact CB-CD2 4.4Å; P63-F73 HydrophobicContact CB-CE1 3.83Å; P63-F73 HydrophobicContact CB-CE2 4.03Å; P63-F73 HydrophobicContact CB-CG 4.46Å; P63-F73 HydrophobicContact CB-CZ 3.72Å; P63-F73 HydrophobicContact CG-CE1 4.14Å; P63-F73 HydrophobicContact CG-CZ 3.98Å; F73-Y75 HydrophobicContact CB-CD2 4.22Å; F73-Y75 HydrophobicContact CB-CE2 4.14Å; F73-Y75 HydrophobicContact CD1-CE2 4.29Å; F73-I98 HydrophobicContact CD2-CD1 4.15Å; F73-I98 HydrophobicContact CE2-CD1 4.2Å; F73-I98 HydrophobicContact CG-CD1 4.46Å
74T98Very high96.3Very high43 Ų4365.8 Ų65.826%0.26434%0.34SS..EExtended strand (participates in β ladder)trans-111.699.6177.8-47.50000110.1F35 M36 N64 Q72F35-T74 WeakPolarHBondContact O-CA 3.26Å; M36-T74 HydrophobicContact CB-CG2 4.48Å; M36-T74 HydrophobicContact CE-CG2 3.7Å; N64-T74 VanDerWaalsContact ND2-C 3.27Å; N64-T74 WeakPolarHBondContact ND2-CA 3.34Å; N64-T74 PolarHBondContact ND2-N 2.83Å; N64-T74 PolarHBondContact ND2-O 2.82Å; N64-T74 PolarHBondContact OD1-N 3.42Å; Q72-T74 WeakPolarHBondContact CG-OG1 3.34Å; Q72-T74 PolarHBondContact NE2-OG1 2.81Å
75Y98.3Very high96.2Very high40 Ų4069.3 Ų69.316%0.15735%0.352CS..EExtended strand (participates in β ladder)trans-121.9161.3-176.5-73.7-78.4000111.6W34 F35 L57 C61 P62 F73 C80W34-Y75 CarbonylContact C-O 3.55Å; W34-Y75 VanDerWaalsContact CA-O 3.3Å; W34-Y75 WeakPolarHBondContact CA-O 3.3Å; F35-Y75 PolarHBondContact N-O 3.05Å; F35-Y75 PolarHBondContact O-N 2.98Å; L57-Y75 HydrophobicContact CD2-CD2 3.71Å; L57-Y75 HydrophobicContact CD2-CE2 4.4Å; C61-Y75 HydrophobicContact CB-CD2 4.45Å; C61-Y75 HydrophobicContact CB-CE1 4.21Å; C61-Y75 HydrophobicContact CB-CE2 3.8Å; P62-Y75 WeakPolarHBondContact O-CE2 3.28Å; P62-Y75 PolarHBondContact O-OH 2.87Å; F73-Y75 HydrophobicContact CB-CD2 4.22Å; F73-Y75 HydrophobicContact CB-CE2 4.14Å; F73-Y75 HydrophobicContact CD1-CE2 4.29Å; Y75-C80 WeakPolarHBondContact CD1-SG 3.34Å; Y75-C80 VanDerWaalsContact CE1-SG 3.58Å; Y75-C80 HydrophobicContact CG-CB 4.4Å
76R97.6Very high96.1Very high166 Ų16668.5 Ų68.563%0.62636%0.361SS*.EExtended strand (participates in β ladder)trans-68.3147.9170-61.9-176.3179.3-169.1-0109.6D33 T78 E79 I82D33-R76 VanDerWaalsContact O-CA 3.28Å; D33-R76 WeakPolarHBondContact O-CA 3.38Å; R76-T78 PolarHBondContact O-N 3.23Å; R76-E79 HydrophobicContact CB-CB 4.47Å; R76-E79 HydrophobicContact CB-CG 4.04Å; R76-E79 WeakPolarHBondContact CD-OE1 3.42Å; R76-E79 PolarHBondContact N-OE2 3.4Å; R76-E79 PolarHBondContact O-N 3.07Å; R76-I82 WeakPolarHBondContact O-CD1 3.13Å
77V96.7Very high95.9Very high20 Ų2070 Ų7012%0.12137%0.37CS..THydrogen-bonded Turntrans-63.8-14.3-179.2-640000114.1I32 D33 F35 I82 Y94I32-V77 WeakPolarHBondContact O-CG2 3.42Å; D33-V77 PolarHBondContact O-N 3.16Å; D33-V77 VanDerWaalsContact O-N 3.15Å; F35-V77 HydrophobicContact CB-CG1 4.37Å; V77-I82 HydrophobicContact CB-CG2 4.49Å; V77-I82 WeakPolarHBondContact O-CB 3.45Å; V77-Y94 HydrophobicContact CB-CD1 3.75Å; V77-Y94 HydrophobicContact CB-CE1 3.44Å; V77-Y94 VanDerWaalsContact CB-CE1 3.44Å; V77-Y94 HydrophobicContact CG1-CD1 3.71Å; V77-Y94 HydrophobicContact CG1-CD2 4.21Å; V77-Y94 HydrophobicContact CG1-CE1 3.55Å; V77-Y94 HydrophobicContact CG1-CE2 4.05Å; V77-Y94 HydrophobicContact CG1-CG 4.04Å; V77-Y94 HydrophobicContact CG2-CE1 3.82Å
78T96.4Very high95.7Very high123 Ų12368.9 Ų68.976%0.75537%0.371SS*.THydrogen-bonded Turntrans-91.7-3.1176.156.40000113.5R76R76-T78 PolarHBondContact O-N 3.23Å
79E96.8Very high95.6Very high80 Ų8072.3 Ų72.337%0.37438%0.378SS..SBendtrans-109.1171.3-174.7-68.1170.8179.900111.3R76 G81 I82R76-E79 HydrophobicContact CB-CB 4.47Å; R76-E79 HydrophobicContact CB-CG 4.04Å; R76-E79 WeakPolarHBondContact CD-OE1 3.42Å; R76-E79 PolarHBondContact N-OE2 3.4Å; R76-E79 PolarHBondContact O-N 3.07Å; E79-G81 PolarHBondContact O-N 3.13Å; E79-I82 WeakPolarHBondContact O-CD1 3.5Å; E79-I82 WeakPolarHBondContact O-CG1 3.35Å; E79-I82 PolarHBondContact O-N 3.12Å
80C96.9Very high95.6Very high13 Ų1369 Ų699%0.08837%0.365CS..THydrogen-bonded Turntrans54.922.6170.1-59.50000115.9L57 G58 L59 C61 Y75 I82L57-C80 HydrophobicContact CD2-CB 4.2Å; G58-C80 WeakPolarHBondContact CA-O 3.49Å; L59-C80 PolarHBondContact N-O 3.32Å; C61-C80 HydrophobicContact CB-CB 3.77Å; C61-C80 WeakPolarHBondContact CB-SG 3.37Å; C61-C80 WeakPolarHBondContact SG-CA 3.19Å; C61-C80 WeakPolarHBondContact SG-CB 3.47Å; C61-C80 CovalentContact SG-SG 2.02Å; C61-C80 PolarHBondContact SG-SG 3.26Å; Y75-C80 WeakPolarHBondContact CD1-SG 3.34Å; Y75-C80 VanDerWaalsContact CE1-SG 3.58Å; Y75-C80 HydrophobicContact CG-CB 4.4Å; C80-I82 VanDerWaalsContact C-N 3.28Å; C80-I82 PolarHBondContact O-N 2.76Å
81G96.1Very high95.6Very high31 Ų3172.4 Ų72.432%0.3238%0.378SS..THydrogen-bonded Turntrans68.724-178.100000114E79 R83E79-G81 PolarHBondContact O-N 3.13Å; G81-R83 PolarHBondContact O-N 3.34Å
82I98.2Very high95.5Very high16 Ų1672.1 Ų72.18%0.08238%0.378CS..  trans-65.9121.4173.2-64.5156.8000108.9F35 L57 R76 V77 E79 C80 Y94 T96F35-I82 HydrophobicContact CB-CD1 3.67Å; F35-I82 HydrophobicContact CB-CG1 4.49Å; F35-I82 HydrophobicContact CD1-CD1 4.37Å; F35-I82 HydrophobicContact CD2-CG2 4.42Å; F35-I82 HydrophobicContact CG-CD1 4.18Å; F35-I82 HydrophobicContact CG-CG2 4.49Å; L57-I82 HydrophobicContact CD2-CD1 4.44Å; R76-I82 WeakPolarHBondContact O-CD1 3.13Å; V77-I82 HydrophobicContact CB-CG2 4.49Å; V77-I82 WeakPolarHBondContact O-CB 3.45Å; E79-I82 WeakPolarHBondContact O-CD1 3.5Å; E79-I82 WeakPolarHBondContact O-CG1 3.35Å; E79-I82 PolarHBondContact O-N 3.12Å; C80-I82 VanDerWaalsContact C-N 3.28Å; C80-I82 PolarHBondContact O-N 2.76Å; I82-Y94 HydrophobicContact CG2-CD1 4.08Å; I82-Y94 HydrophobicContact CG2-CG 4.5Å; I82-T96 HydrophobicContact CG1-CG2 4.09Å
83R97.8Very high95.5Very high132 Ų13273 Ų7350%0.49838%0.384SS..EExtended strand (participates in β ladder)trans-94.2133.4-178.8-58177.9-68.8-130.6-3.4109.2G81 Y94 S95 E97G81-R83 PolarHBondContact O-N 3.34Å; R83-Y94 CarbonylContact O-C 3.5Å; R83-Y94 WeakPolarHBondContact O-CA 3.28Å; R83-S95 PolarHBondContact N-O 3.43Å; R83-S95 PolarHBondContact O-N 2.78Å; R83-E97 IonicContact CZ-OE1 3.41Å; R83-E97 IonicContact NH1-OE1 3.05Å; R83-E97 PolarHBondContact NH1-OE1 2.93Å; R83-E97 IonicContact NH2-OE1 2.82Å; R83-E97 PolarHBondContact NH2-OE1 2.83Å
84V96.4Very high95.5Very high89 Ų8973.8 Ų73.854%0.53939%0.387SS..EExtended strand (participates in β ladder)trans-109.2137.5175.763.70000110.9V92 I93 Y94V84-V92 HydrophobicContact CG2-CB 4.04Å; V84-V92 HydrophobicContact CG2-CG1 4.24Å; V84-I93 CarbonylContact C-O 3.48Å; V84-I93 WeakPolarHBondContact CA-O 3.42Å; V84-Y94 HydrophobicContact CB-CD1 3.81Å; V84-Y94 HydrophobicContact CB-CE1 3.68Å; V84-Y94 HydrophobicContact CG2-CD1 3.84Å; V84-Y94 HydrophobicContact CG2-CE1 3.42Å; V84-Y94 VanDerWaalsContact CG2-CE1 3.42Å
85K96.1Very high95.5Very high151 Ų15173.2 Ų73.266%0.65738%0.384SS*.EExtended strand (participates in β ladder)trans-133.7120.8172.9-174.8177.2180-179.80109.9V87 V92 I93K85-V87 PolarHBondContact O-N 2.91Å; K85-V92 WeakPolarHBondContact O-CA 3.18Å; K85-I93 PolarHBondContact N-O 2.91Å; K85-I93 PolarHBondContact O-N 3.24Å
86A93.5Very high95.5Very high72 Ų7271.4 Ų71.460%0.59538%0.377SS*.EExtended strand (participates in β ladder)trans-68.3126.5168.800000109.7V92A86-V92 HydrophobicContact CB-CG1 4.41Å
87V92.9Very high95.5Very high92 Ų9266.1 Ų66.156%0.55836%0.36SS*.  trans-104.7-31.1178-177.90000110.8K85 M91 I93K85-V87 PolarHBondContact O-N 2.91Å; V87-M91 PolarHBondContact N-O 2.99Å; V87-I93 HydrophobicContact CG2-CB 4.15Å; V87-I93 HydrophobicContact CG2-CD1 3.51Å; V87-I93 HydrophobicContact CG2-CG1 3.56Å
88S90.8Very high95.6Very high61 Ų6165.2 Ų65.243%0.42735%0.354SS..SBendtrans-146.6180171.575.50000110.1D90 M91S88-D90 PolarHBondContact O-N 2.81Å; S88-D90 PolarHBondContact OG-N 2.84Å; S88-M91 PolarHBondContact N-O 2.84Å; S88-M91 WeakPolarHBondContact OG-CB 3.45Å; S88-M91 PolarHBondContact OG-N 3.22Å
89Q87.4Confident95.6Very high181 Ų18161.9 Ų61.985%0.84633%0.33SS*.SBendtrans-59.8-24.7177.9-70.3179-13.500113.6
90D89.9Confident95.5Very high66 Ų6658.9 Ų58.935%0.35332%0.315SS..SBendtrans-121.7-0.2-173.4-68.6-42000113.5S88 P118 L119 K120S88-D90 PolarHBondContact O-N 2.81Å; S88-D90 PolarHBondContact OG-N 2.84Å; D90-P118 CarbonylContact O-C 3.6Å; D90-P118 WeakPolarHBondContact O-CA 3.36Å; D90-L119 PolarHBondContact O-N 3.4Å; D90-K120 WeakPolarHBondContact OD1-CE 3.43Å; D90-K120 IonicContact OD1-NZ 2.65Å; D90-K120 PolarHBondContact OD1-NZ 3.24Å
91M93.9Very high95.4Very high89 Ų8960.5 Ų60.544%0.43833%0.327SS..EExtended strand (participates in β ladder)trans-131.9134.2-176.8-66.2-70.8-179.300112V87 S88 P118V87-M91 PolarHBondContact N-O 2.99Å; S88-M91 PolarHBondContact N-O 2.84Å; S88-M91 WeakPolarHBondContact OG-CB 3.45Å; S88-M91 PolarHBondContact OG-N 3.22Å; M91-P118 HydrophobicContact CE-CB 4.19Å; M91-P118 HydrophobicContact SD-CB 4Å
92V96.3Very high95.1Very high7 Ų760.4 Ų60.44%0.04232%0.321CS..EExtended strand (participates in β ladder)trans-120.9145.6173.4-70.60000110V84 K85 A86 Y94 A116 A117 L119V84-V92 HydrophobicContact CG2-CB 4.04Å; V84-V92 HydrophobicContact CG2-CG1 4.24Å; K85-V92 WeakPolarHBondContact O-CA 3.18Å; A86-V92 HydrophobicContact CB-CG1 4.41Å; V92-Y94 HydrophobicContact CG2-CD2 4.33Å; V92-Y94 HydrophobicContact CG2-CE2 3.55Å; V92-A116 CarbonylContact O-C 3.5Å; V92-A116 VanDerWaalsContact O-CA 3.28Å; V92-A116 WeakPolarHBondContact O-CA 3.2Å; V92-A117 WeakPolarHBondContact CG2-O 3.44Å; V92-A117 PolarHBondContact N-O 2.83Å; V92-A117 PolarHBondContact O-N 2.97Å; V92-L119 HydrophobicContact CG1-CD1 3.64Å; V92-L119 HydrophobicContact CG1-CD2 4.14Å; V92-L119 HydrophobicContact CG1-CG 3.7Å; V92-L119 HydrophobicContact CG2-CG 4.42Å
93I97.6Very high94.6Very high62 Ų6267.4 Ų67.432%0.31835%0.351SS..EExtended strand (participates in β ladder)trans-105.3125168.1-68.4-179.6000108.2V84 K85 V87 C115 A116V84-I93 CarbonylContact C-O 3.48Å; V84-I93 WeakPolarHBondContact CA-O 3.42Å; K85-I93 PolarHBondContact N-O 2.91Å; K85-I93 PolarHBondContact O-N 3.24Å; V87-I93 HydrophobicContact CG2-CB 4.15Å; V87-I93 HydrophobicContact CG2-CD1 3.51Å; V87-I93 HydrophobicContact CG2-CG1 3.56Å; I93-C115 WeakPolarHBondContact CA-O 3.27Å; I93-A116 HydrophobicContact CG1-CB 4.02Å
94Y98.3Very high93.9Very high16 Ų1664.6 Ų64.66%0.06336%0.364CS..EExtended strand (participates in β ladder)trans-94.7138165.9-63-74.4000109.2C30 S31 I32 F35 V77 I82 R83 V84 V92 S114 C115 A117C30-Y94 HydrophobicContact CB-CD2 4.19Å; S31-Y94 WeakPolarHBondContact O-CE2 3.38Å; I32-Y94 PolarHBondContact O-OH 3.05Å; F35-Y94 HydrophobicContact CD2-CG 4.43Å; V77-Y94 HydrophobicContact CB-CD1 3.75Å; V77-Y94 HydrophobicContact CB-CE1 3.44Å; V77-Y94 VanDerWaalsContact CB-CE1 3.44Å; V77-Y94 HydrophobicContact CG1-CD1 3.71Å; V77-Y94 HydrophobicContact CG1-CD2 4.21Å; V77-Y94 HydrophobicContact CG1-CE1 3.55Å; V77-Y94 HydrophobicContact CG1-CE2 4.05Å; V77-Y94 HydrophobicContact CG1-CG 4.04Å; V77-Y94 HydrophobicContact CG2-CE1 3.82Å; I82-Y94 HydrophobicContact CG2-CD1 4.08Å; I82-Y94 HydrophobicContact CG2-CG 4.5Å; R83-Y94 CarbonylContact O-C 3.5Å; R83-Y94 WeakPolarHBondContact O-CA 3.28Å; V84-Y94 HydrophobicContact CB-CD1 3.81Å; V84-Y94 HydrophobicContact CB-CE1 3.68Å; V84-Y94 HydrophobicContact CG2-CD1 3.84Å; V84-Y94 HydrophobicContact CG2-CE1 3.42Å; V84-Y94 VanDerWaalsContact CG2-CE1 3.42Å; V92-Y94 HydrophobicContact CG2-CD2 4.33Å; V92-Y94 HydrophobicContact CG2-CE2 3.55Å; Y94-S114 CarbonylContact O-C 3.52Å; Y94-S114 WeakPolarHBondContact O-CA 3.38Å; Y94-S114 WeakPolarHBondContact O-CB 3.27Å; Y94-C115 PolarHBondContact N-O 3.41Å; Y94-C115 PolarHBondContact O-N 2.82Å; Y94-A117 HydrophobicContact CD2-CB 4.47Å; Y94-A117 HydrophobicContact CE2-CB 4.17Å
95S98Very high93.4Very high30 Ų3063.7 Ų63.721%0.2136%0.358CS..EExtended strand (participates in β ladder)trans-144.1141.9-179.562.30000111.6R83 V113R83-S95 PolarHBondContact N-O 3.43Å; R83-S95 PolarHBondContact O-N 2.78Å; S95-V113 CarbonylContact C-O 3.57Å; S95-V113 VanDerWaalsContact CA-O 3.3Å; S95-V113 WeakPolarHBondContact CA-O 3.41Å
96T98.1Very high93Very high3 Ų362.6 Ų62.62%0.01837%0.367CS..EExtended strand (participates in β ladder)trans-156.5-169174.3-170.60000108.5F35 L57 I82 V113F35-T96 HydrophobicContact CD1-CG2 4.15Å; F35-T96 HydrophobicContact CE1-CG2 3.58Å; F35-T96 HydrophobicContact CZ-CG2 4.07Å; L57-T96 HydrophobicContact CD1-CG2 3.54Å; L57-T96 HydrophobicContact CD2-CG2 4.32Å; L57-T96 HydrophobicContact CG-CG2 3.96Å; I82-T96 HydrophobicContact CG1-CG2 4.09Å; T96-V113 HydrophobicContact CG2-CG2 3.58Å; T96-V113 PolarHBondContact N-O 2.91Å; T96-V113 WeakPolarHBondContact O-CG2 3.36Å; T96-V113 PolarHBondContact O-N 2.84Å
97E98.1Very high92.7Very high55 Ų5561.6 Ų61.626%0.25736%0.355SS..EExtended strand (participates in β ladder)trans-130.8140.5-174.4-73.8154.6-141.700109.8G58 R83 H99 V110 I111G58-E97 PolarHBondContact N-O 3.25Å; R83-E97 IonicContact CZ-OE1 3.41Å; R83-E97 IonicContact NH1-OE1 3.05Å; R83-E97 PolarHBondContact NH1-OE1 2.93Å; R83-E97 IonicContact NH2-OE1 2.82Å; R83-E97 PolarHBondContact NH2-OE1 2.83Å; E97-H99 WeakPolarHBondContact CB-NE2 3.41Å; E97-H99 IonicContact OE2-CE1 3.73Å; E97-H99 IonicContact OE2-NE2 3.76Å; E97-V110 HydrophobicContact CB-CG1 3.77Å; E97-V110 HydrophobicContact CG-CG1 3.79Å; E97-V110 WeakPolarHBondContact OE2-CG1 3.35Å; E97-I111 CarbonylContact C-O 3.55Å; E97-I111 WeakPolarHBondContact CA-O 3.47Å
98I97.5Very high92.7Very high1 Ų164.7 Ų64.71%0.00536%0.361CS..EExtended strand (participates in β ladder)trans-95.1122.2164.4-67.4-72.9000107.4V37 V39 L55 L57 F73 V110 I111 V113V37-I98 HydrophobicContact CB-CD1 4.41Å; V37-I98 HydrophobicContact CG1-CD1 4.1Å; V37-I98 HydrophobicContact CG1-CG1 4.2Å; V39-I98 HydrophobicContact CG2-CD1 4.44Å; L55-I98 HydrophobicContact CD2-CG2 3.98Å; L57-I98 HydrophobicContact CB-CD1 4.36Å; L57-I98 HydrophobicContact CD1-CD1 3.41Å; L57-I98 VanDerWaalsContact CD1-CD1 3.41Å; L57-I98 HydrophobicContact CD1-CG1 4.16Å; F73-I98 HydrophobicContact CD2-CD1 4.15Å; F73-I98 HydrophobicContact CE2-CD1 4.2Å; F73-I98 HydrophobicContact CG-CD1 4.46Å; I98-V110 CarbonylContact O-C 3.51Å; I98-V110 WeakPolarHBondContact O-CA 3.26Å; I98-I111 HydrophobicContact CB-CB 4.28Å; I98-I111 PolarHBondContact N-O 2.82Å; I98-I111 PolarHBondContact O-N 2.87Å; I98-V113 HydrophobicContact CG1-CG1 4.22Å; I98-V113 HydrophobicContact CG1-CG2 4.41Å
99H96.8Very high92.8Very high53 Ų5366.6 Ų66.625%0.24536%0.362CS..EExtended strand (participates in β ladder)trans-100.1121.4177.3-63.5-96.3000109L55 H56 G58 E97L55-H99 WeakPolarHBondContact CA-O 3.36Å; H56-H99 PolarHBondContact N-O 2.76Å; H56-H99 PolarHBondContact O-N 3.16Å; G58-H99 PolarHBondContact O-CD2 3.44Å; G58-H99 PolarHBondContact O-NE2 3Å; E97-H99 WeakPolarHBondContact CB-NE2 3.41Å; E97-H99 IonicContact OE2-CE1 3.73Å; E97-H99 IonicContact OE2-NE2 3.76Å
100Y95.3Very high93.2Very high17 Ų1761.8 Ų61.87%0.06735%0.345CS..EExtended strand (participates in β ladder)trans-101.1133.1166.6168.3-95.4000109.6L44 V50 E54 L55 S102 K108 F109L44-Y100 HydrophobicContact CD1-CD1 3.95Å; L44-Y100 HydrophobicContact CD1-CD2 4.03Å; L44-Y100 HydrophobicContact CD1-CE1 3.79Å; L44-Y100 HydrophobicContact CD1-CE2 3.91Å; L44-Y100 HydrophobicContact CD1-CG 4.01Å; V50-Y100 HydrophobicContact CB-CE2 4.4Å; V50-Y100 HydrophobicContact CG1-CD2 3.67Å; V50-Y100 HydrophobicContact CG1-CE2 3.71Å; V50-Y100 HydrophobicContact CG2-CD2 4.27Å; V50-Y100 HydrophobicContact CG2-CE2 3.95Å; E54-Y100 HydrophobicContact CB-CD2 4.05Å; E54-Y100 HydrophobicContact CB-CE2 3.96Å; E54-Y100 CarbonylContact O-C 3.58Å; E54-Y100 VanDerWaalsContact O-CA 3.28Å; E54-Y100 WeakPolarHBondContact O-CA 3.41Å; L55-Y100 HydrophobicContact CD2-CD2 4.09Å; Y100-S102 WeakPolarHBondContact OH-CB 3.37Å; Y100-K108 VanDerWaalsContact O-CA 3.26Å; Y100-K108 WeakPolarHBondContact O-CA 3.37Å; Y100-F109 HydrophobicContact CD1-CB 4.38Å; Y100-F109 AromaticContact CD1-CD2 3.33Å; Y100-F109 HydrophobicContact CD1-CD2 3.33Å; Y100-F109 AromaticContact CD1-CE2 4Å; Y100-F109 HydrophobicContact CD1-CE2 4Å; Y100-F109 HydrophobicContact CD1-CG 4.27Å; Y100-F109 AromaticContact CE1-CD2 3.74Å; Y100-F109 HydrophobicContact CE1-CD2 3.74Å; Y100-F109 AromaticContact CE1-CE2 3.92Å; Y100-F109 HydrophobicContact CE1-CE2 3.92Å; Y100-F109 HydrophobicContact CG-CD2 4.22Å; Y100-F109 PolarHBondContact N-O 2.96Å; Y100-F109 PolarHBondContact O-N 2.94Å
101S94Very high93.4Very high47 Ų4760.6 Ų60.633%0.32934%0.338SS..EExtended strand (participates in β ladder)trans-137.5113.8170.2-68.70000109.3E54E54-S101 WeakPolarHBondContact CB-O 3.2Å; E54-S101 PolarHBondContact O-N 2.88Å
102S91.1Very high93.6Very high28 Ų2861.1 Ų61.120%0.19635%0.348CS..  trans-64.8143.9178.2-172.50000111.3E54 Y100 G104 T105 S107E54-S102 WeakPolarHBondContact OE1-CA 3.23Å; Y100-S102 WeakPolarHBondContact OH-CB 3.37Å; S102-G104 PolarHBondContact OG-N 3.23Å; S102-T105 WeakPolarHBondContact CB-OG1 3.35Å; S102-T105 PolarHBondContact OG-OG1 2.9Å; S102-S107 PolarHBondContact N-O 3.01Å; S102-S107 VanDerWaalsContact N-O 3.12Å
103K86.6Confident93.6Very high163 Ų16361 Ų6171%0.70935%0.347SS*.SBendtrans-74.4-27.2172.9-67.8-64.2-179.5-178.10113.7E54E54-K103 HydrophobicContact CG-CG 3.97Å; E54-K103 PolarHBondContact OE1-N 2.68Å
104G83.7Confident93.6Very high74 Ų7461.6 Ų61.676%0.76336%0.357SS*.SBendtrans-111.2-11.3-171.500000114.9S102S102-G104 PolarHBondContact OG-N 3.23Å
105T85.6Confident93.5Very high69 Ų6961.9 Ų61.942%0.42336%0.361SS..SBendtrans-131.7157.8-178.273.20000110.6S102 S107S102-T105 WeakPolarHBondContact CB-OG1 3.35Å; S102-T105 PolarHBondContact OG-OG1 2.9Å; T105-S107 PolarHBondContact O-N 3.12Å; T105-S107 VanDerWaalsContact OG1-CB 3.23Å; T105-S107 WeakPolarHBondContact OG1-CB 2.91Å; T105-S107 PolarHBondContact OG1-N 2.91Å; T105-S107 PolarHBondContact OG1-OG 3.01Å
106P88.1Confident93.4Very high129 Ų12963.5 Ų63.584%0.83838%0.376SS*.SBendtrans-71.28.517330.7-36.2000113.2K108P106-K108 PolarHBondContact O-N 3Å
107S87.4Confident93.3Very high51 Ų5163.5 Ų63.536%0.35738%0.376SS..  trans-68.7123.2-178-56.30000111.1S102 T105S102-S107 PolarHBondContact N-O 3.01Å; S102-S107 VanDerWaalsContact N-O 3.12Å; T105-S107 PolarHBondContact O-N 3.12Å; T105-S107 VanDerWaalsContact OG1-CB 3.23Å; T105-S107 WeakPolarHBondContact OG1-CB 2.91Å; T105-S107 PolarHBondContact OG1-N 2.91Å; T105-S107 PolarHBondContact OG1-OG 3.01Å
108K92.9Very high93Very high157 Ų15763.4 Ų63.468%0.68338%0.381SS*.EExtended strand (participates in β ladder)trans-131.4134.2174.6-62.1-178.3-179178.50109.5Y100 P106Y100-K108 VanDerWaalsContact O-CA 3.26Å; Y100-K108 WeakPolarHBondContact O-CA 3.37Å; P106-K108 PolarHBondContact O-N 3Å
109F91.9Very high92.5Very high100 Ų10067.2 Ų67.244%0.43940%0.4SS..EExtended strand (participates in β ladder)trans-128.3146.4175.9-58.1-70.9000110L44 Y100L44-F109 HydrophobicContact CD1-CD2 3.91Å; L44-F109 HydrophobicContact CD1-CE2 4.08Å; L44-F109 HydrophobicContact CD2-CD2 3.97Å; L44-F109 HydrophobicContact CD2-CE2 4.49Å; L44-F109 HydrophobicContact CD2-CG 4.47Å; Y100-F109 HydrophobicContact CD1-CB 4.38Å; Y100-F109 AromaticContact CD1-CD2 3.33Å; Y100-F109 HydrophobicContact CD1-CD2 3.33Å; Y100-F109 AromaticContact CD1-CE2 4Å; Y100-F109 HydrophobicContact CD1-CE2 4Å; Y100-F109 HydrophobicContact CD1-CG 4.27Å; Y100-F109 AromaticContact CE1-CD2 3.74Å; Y100-F109 HydrophobicContact CE1-CD2 3.74Å; Y100-F109 AromaticContact CE1-CE2 3.92Å; Y100-F109 HydrophobicContact CE1-CE2 3.92Å; Y100-F109 HydrophobicContact CG-CD2 4.22Å; Y100-F109 PolarHBondContact N-O 2.96Å; Y100-F109 PolarHBondContact O-N 2.94Å
110V95.4Very high91.7Very high80 Ų8069.6 Ų69.649%0.48541%0.41SS..EExtended strand (participates in β ladder)trans-124.6120.2175.2-175.80000107.4E97 I98E97-V110 HydrophobicContact CB-CG1 3.77Å; E97-V110 HydrophobicContact CG-CG1 3.79Å; E97-V110 WeakPolarHBondContact OE2-CG1 3.35Å; I98-V110 CarbonylContact O-C 3.51Å; I98-V110 WeakPolarHBondContact O-CA 3.26Å
111I95.1Very high90.5Very high42 Ų4270.6 Ų70.622%0.21542%0.42CS..EExtended strand (participates in β ladder)trans-113.8109.3-176.2-57.5166.4000107.6M26 M43 E97 I98M26-I111 HydrophobicContact CE-CG2 3.85Å; M26-I111 HydrophobicContact SD-CG2 3.85Å; M43-I111 HydrophobicContact CE-CD1 3.49Å; M43-I111 VanDerWaalsContact CE-CD1 3.49Å; M43-I111 HydrophobicContact SD-CD1 4.19Å; E97-I111 CarbonylContact C-O 3.55Å; E97-I111 WeakPolarHBondContact CA-O 3.47Å; I98-I111 HydrophobicContact CB-CB 4.28Å; I98-I111 PolarHBondContact N-O 2.82Å; I98-I111 PolarHBondContact O-N 2.87Å
112P96.9Very high89.3Confident100 Ų10073.7 Ų73.765%0.64944%0.439SS*.EExtended strand (participates in β ladder)trans-68.8136177.328.9-33.5000109.9
113V96.9Very high88Confident4 Ų483 Ų832%0.02447%0.47CS..EExtended strand (participates in β ladder)trans-128.7140.2176.7-690000109.6M26 V28 F35 V37 L57 S95 T96 I98M26-V113 HydrophobicContact CE-CG1 3.95Å; M26-V113 HydrophobicContact SD-CG1 3.74Å; V28-V113 HydrophobicContact CG2-CB 3.94Å; V28-V113 HydrophobicContact CG2-CG1 3.98Å; F35-V113 HydrophobicContact CE1-CG2 3.99Å; F35-V113 HydrophobicContact CZ-CB 4.48Å; F35-V113 HydrophobicContact CZ-CG2 4.1Å; V37-V113 HydrophobicContact CG2-CG2 4.1Å; L57-V113 HydrophobicContact CD1-CG2 4.48Å; S95-V113 CarbonylContact C-O 3.57Å; S95-V113 VanDerWaalsContact CA-O 3.3Å; S95-V113 WeakPolarHBondContact CA-O 3.41Å; T96-V113 HydrophobicContact CG2-CG2 3.58Å; T96-V113 PolarHBondContact N-O 2.91Å; T96-V113 WeakPolarHBondContact O-CG2 3.36Å; T96-V113 PolarHBondContact O-N 2.84Å; I98-V113 HydrophobicContact CG1-CG1 4.22Å; I98-V113 HydrophobicContact CG1-CG2 4.41Å
114S97.4Very high87Confident75 Ų7581.3 Ų81.352%0.52447%0.468SS..EExtended strand (participates in β ladder)trans-149.8152.6178.862.80000111.6Y94Y94-S114 CarbonylContact O-C 3.52Å; Y94-S114 WeakPolarHBondContact O-CA 3.38Å; Y94-S114 WeakPolarHBondContact O-CB 3.27Å
115C96.8Very high85.9Confident21 Ų2181.3 Ų81.314%0.14245%0.453CS..EExtended strand (participates in β ladder)trans-145.6146.3174.4164.30000109.7V28 C30 F35 I93 Y94V28-C115 HydrophobicContact CG1-CB 3.8Å; C30-C115 HydrophobicContact CB-CB 3.66Å; C30-C115 WeakPolarHBondContact CB-SG 3.45Å; C30-C115 PolarHBondContact N-SG 3.46Å; C30-C115 WeakPolarHBondContact SG-CB 3.22Å; C30-C115 CovalentContact SG-SG 2.03Å; C30-C115 PolarHBondContact SG-SG 2.83Å; F35-C115 HydrophobicContact CE2-CB 4.09Å; I93-C115 WeakPolarHBondContact CA-O 3.27Å; Y94-C115 PolarHBondContact N-O 3.41Å; Y94-C115 PolarHBondContact O-N 2.82Å
116A95.8Very high84.9Confident65 Ų6585.2 Ų85.254%0.53746%0.464SS..EExtended strand (participates in β ladder)trans-101.5134.3174.700000109.9C30 V92 I93C30-A116 VanDerWaalsContact SG-C 3.6Å; V92-A116 CarbonylContact O-C 3.5Å; V92-A116 VanDerWaalsContact O-CA 3.28Å; V92-A116 WeakPolarHBondContact O-CA 3.2Å; I93-A116 HydrophobicContact CG1-CB 4.02Å
117A94.9Very high83.6Confident2 Ų284.3 Ų84.32%0.01746%0.458CS..EExtended strand (participates in β ladder)trans-131.2147.2175.600000110.8V92 Y94V92-A117 WeakPolarHBondContact CG2-O 3.44Å; V92-A117 PolarHBondContact N-O 2.83Å; V92-A117 PolarHBondContact O-N 2.97Å; Y94-A117 HydrophobicContact CD2-CB 4.47Å; Y94-A117 HydrophobicContact CE2-CB 4.17Å
118P92.4Very high82.7Confident54 Ų5485.8 Ų85.835%0.35147%0.468SS..EExtended strand (participates in β ladder)trans-70.8138.1171.830.1-33.5000110.6I32 D90 M91 K120I32-P118 WeakPolarHBondContact CG2-O 3.48Å; D90-P118 CarbonylContact O-C 3.6Å; D90-P118 WeakPolarHBondContact O-CA 3.36Å; M91-P118 HydrophobicContact CE-CB 4.19Å; M91-P118 HydrophobicContact SD-CB 4Å; P118-K120 PolarHBondContact O-N 3.35Å
119L86.4Confident81.3Confident80 Ų8083.5 Ų83.542%0.41947%0.471SS..SBendtrans-65.5-27.6174.9-93.9148.1000112.6D90 V92D90-L119 PolarHBondContact O-N 3.4Å; V92-L119 HydrophobicContact CG1-CD1 3.64Å; V92-L119 HydrophobicContact CG1-CD2 4.14Å; V92-L119 HydrophobicContact CG1-CG 3.7Å; V92-L119 HydrophobicContact CG2-CG 4.42Å
120K82Confident79.3Confident103 Ų10386 Ų8645%0.44849%0.486SS..SBendtrans-106.3130.8179.7-66.3170.4-176.2148.40108.4D90 P118 P122D90-K120 WeakPolarHBondContact OD1-CE 3.43Å; D90-K120 IonicContact OD1-NZ 2.65Å; D90-K120 PolarHBondContact OD1-NZ 3.24Å; P118-K120 PolarHBondContact O-N 3.35Å; K120-P122 WeakPolarHBondContact O-CD 3.25Å
121S69.9Low77.4Confident39 Ų3987.9 Ų87.927%0.27350%0.498SS..  trans-63.9127.2170.1174.60000108.8W123 L124S121-W123 PolarHBondContact O-N 3.16Å; S121-W123 PolarHBondContact OG-N 3.49Å; S121-W123 VanDerWaalsContact OG-N 3.16Å; S121-L124 PolarHBondContact O-N 3.29Å; S121-L124 VanDerWaalsContact O-N 3.16Å
122P67Low75.1Confident111 Ų11192.2 Ų92.272%0.72153%0.526SS*.THydrogen-bonded Turntrans-57-21.3170.8-23.333.5000112.7K120K120-P122 WeakPolarHBondContact O-CD 3.25Å
123W65.7Low72.6Confident224 Ų22491.7 Ų91.785%0.84853%0.53SS*.THydrogen-bonded Turntrans-92.8-15.9-176.4-51.2105.6000113.7S121S121-W123 PolarHBondContact O-N 3.16Å; S121-W123 PolarHBondContact OG-N 3.49Å; S121-W123 VanDerWaalsContact OG-N 3.16Å
124L63.8Low70.3Confident127 Ų12796.4 Ų96.467%0.66556%0.563SS**  trans-104.597.5179.7-62.3173.6000109.2S121S121-L124 PolarHBondContact O-N 3.29Å; S121-L124 VanDerWaalsContact O-N 3.16Å
125T62.4Low68.1Low74 Ų74102.3 Ų102.345%0.45458%0.583SS.*PPolyproline II helixtrans-62.5140.6170.9-19.30000109.2
126K64.2Low65.5Low151 Ų151106.3 Ų106.366%0.65761%0.611SS**PPolyproline II helixtrans-58130.8176.6-70.1-178.9-177.8173.40109.2C128K126-C128 PolarHBondContact O-N 3.19Å
127P59.5Low63Low110 Ų110115.1 Ų115.171%0.71463%0.63SS**PPolyproline II helixtrans-62132.5171.823.6-29.9000109.1S129P127-S129 PolarHBondContact O-N 3.33Å
128C69.1Low60.2Low83 Ų83119.4 Ų119.456%0.56167%0.666SS**PPolyproline II helixtrans-61.6126.2174.3-88.20000109.9K126 M130 C146K126-C128 PolarHBondContact O-N 3.19Å; C128-M130 PolarHBondContact O-N 3.36Å; C128-M130 VanDerWaalsContact O-N 3.07Å; C128-C146 HydrophobicContact CB-CB 4.13Å; C128-C146 WeakPolarHBondContact CB-SG 3.34Å; C128-C146 PolarHBondContact N-SG 3.4Å; C128-C146 WeakPolarHBondContact SG-CB 3.44Å; C128-C146 CovalentContact SG-SG 2.01Å; C128-C146 PolarHBondContact SG-SG 3.03Å
129S63.7Low58Low108 Ų108124.7 Ų124.776%0.75569%0.69SS**  trans-65108.5165.555.90000108.1P127 T131P127-S129 PolarHBondContact O-N 3.33Å; S129-T131 VanDerWaalsContact C-N 3.31Å; S129-T131 PolarHBondContact O-N 2.96Å
130M50.4Low55.6Low152 Ų152125.5 Ų125.575%0.74971%0.708SS**  trans-68.495.7165.8-83.2-171.7172.100107.7C128 V132C128-M130 PolarHBondContact O-N 3.36Å; C128-M130 VanDerWaalsContact O-N 3.07Å; M130-V132 PolarHBondContact O-N 3.32Å; M130-V132 VanDerWaalsContact O-N 3.15Å
131T54.6Low54.2Low121 Ų121129.7 Ų129.774%0.74273%0.729SS**  trans-66.6108.6157-52.20000105.6S129 A133S129-T131 VanDerWaalsContact C-N 3.31Å; S129-T131 PolarHBondContact O-N 2.96Å; T131-A133 PolarHBondContact O-N 3.41Å
132V46.9Very low52.7Low133 Ų133137.5 Ų137.581%0.80676%0.758SS**  trans-56.7103.5171.5176.30000106.9M130 S134M130-V132 PolarHBondContact O-N 3.32Å; M130-V132 VanDerWaalsContact O-N 3.15Å; V132-S134 PolarHBondContact O-N 3.36Å
133A44.8Very low52.2Low88 Ų88139.6 Ų139.673%0.72776%0.763SS**  trans-69.996.9174.800000107.6T131 Q135T131-A133 PolarHBondContact O-N 3.41Å; A133-Q135 PolarHBondContact O-N 3.34Å
134S49.4Very low51.5Low103 Ų103137.2 Ų137.272%0.7276%0.761SS**  trans-59.4122.1154.971.80000106.3V132 S136V132-S134 PolarHBondContact O-N 3.36Å; S134-S136 PolarHBondContact O-N 3.36Å
135Q50.2Low50.7Low199 Ų199140.3 Ų140.393%0.9377%0.77SS**SBendtrans-34105.7-175.7-74.5175.2-0.500113.4A133A133-Q135 PolarHBondContact O-N 3.34Å
136S42.8Very low49.9Very low106 Ų106139.4 Ų139.474%0.74177%0.765SS**  trans-160.1112.2158.1176.80000107.9S134 A138S134-S136 PolarHBondContact O-N 3.36Å; S136-A138 PolarHBondContact O-N 2.99Å; S136-A138 VanDerWaalsContact O-N 3.16Å
137R42.8Very low49.4Very low249 Ų249139 Ų13994%0.9476%0.761SS**  trans-56.9111.2179.1174.1-174-90.4164.6-8.8109.7
138A36.8Very low48.8Very low93 Ų93140.6 Ų140.677%0.76976%0.759SS**  trans-143.6127.6160.100000110.2S136S136-A138 PolarHBondContact O-N 2.99Å; S136-A138 VanDerWaalsContact O-N 3.16Å
139I45.5Very low47.7Very low165 Ų165141.5 Ų141.585%0.84676%0.762SS**  trans-69.9130176.3-66.8160.9000108.6
140A35.5Very low46.6Very low96 Ų96145.2 Ų145.279%0.79376%0.764SS**  trans-147108.715800000109.7
141Q53.5Low46.1Very low192 Ų192143.1 Ų143.190%0.89777%0.765SS**  trans-66.4128.4160.1-75.8179.6-4200108.7
142K38.1Very low45.4Very low203 Ų203145.6 Ų145.688%0.88377%0.772SS**  trans-160.8124.8134.3-157.9167.2179.4178.60110.4E144K142-E144 PolarHBondContact O-N 3.41Å
143D57.4Low45Very low155 Ų155144.2 Ų144.283%0.82977%0.769SS**  trans-59.3117.1174-174.228.8000111.4
144E50.4Low45.1Very low174 Ų174149 Ų14981%0.81378%0.776SS**  trans-154.5124.8153.9-141.3173.9169.500106.1K142 C146K142-E144 PolarHBondContact O-N 3.41Å; E144-C146 PolarHBondContact O-N 2.98Å
145K47.6Very low44.5Very low192 Ų192148.6 Ų148.684%0.83577%0.773SS**  trans-63.582.9180-88.5-175.2175177.90110.5
146C45.1Very low44.5Very low54 Ų54144.8 Ų144.837%0.36577%0.768SS.*PPolyproline II helixtrans-86.2126.1163.3-119.30000108.3C128 E144C128-C146 HydrophobicContact CB-CB 4.13Å; C128-C146 WeakPolarHBondContact CB-SG 3.34Å; C128-C146 PolarHBondContact N-SG 3.4Å; C128-C146 WeakPolarHBondContact SG-CB 3.44Å; C128-C146 CovalentContact SG-SG 2.01Å; C128-C146 PolarHBondContact SG-SG 3.03Å; E144-C146 PolarHBondContact O-N 2.98Å
147Y53.6Low44.6Very low143 Ų143147.4 Ų147.456%0.56177%0.769SS**PPolyproline II helixtrans-95.2142.1166.660.6-87.3000108.6V149Y147-V149 HydrophobicContact CE2-CG2 4.34Å; Y147-V149 PolarHBondContact O-N 2.92Å
148E47.6Very low44.5Very low144 Ų144147 Ų14767%0.67377%0.767SS**PPolyproline II helixtrans-66.2124.5172.4-73.7-154.3153.300109.6F150E148-F150 PolarHBondContact O-N 3.41Å
149V45.3Very low44.7Very low102 Ų102147.3 Ų147.362%0.61876%0.761SS**  trans-71.9111.6162.2175.90000105.4Y147 S151Y147-V149 HydrophobicContact CE2-CG2 4.34Å; Y147-V149 PolarHBondContact O-N 2.92Å; V149-S151 PolarHBondContact O-N 2.98Å
150F39.6Very low45Very low186 Ų186145.9 Ų145.982%0.81676%0.755SS**  trans-50.6118.2169.8-69.3-79.3000107.6E148 L152E148-F150 PolarHBondContact O-N 3.41Å; F150-L152 PolarHBondContact O-N 3.26Å
151S41.3Very low45.4Very low108 Ų108145.7 Ų145.776%0.75575%0.747SS**  trans-55.6110.9170.5-66.80000106.3V149 S153V149-S151 PolarHBondContact O-N 2.98Å; S151-S153 PolarHBondContact O-N 3.43Å
152L38.9Very low45.2Very low172 Ų172143 Ų14390%0.90174%0.739SS**  trans-54.499.2159.9-92.9160.5000104.3F150 Q154F150-L152 PolarHBondContact O-N 3.26Å; L152-Q154 PolarHBondContact O-N 2.98Å
153S39.4Very low45.6Very low104 Ų104138.3 Ų138.373%0.72773%0.731SS**  trans-53.5118.9172-56.10000103.8S151 S155S151-S153 PolarHBondContact O-N 3.43Å; S153-S155 PolarHBondContact O-N 3.08Å
154Q46.6Very low45.5Very low190 Ų190136.2 Ų136.289%0.88873%0.725SS**  trans-55.994.6164.5-87.7-179.2-5.400105.3L152 S156L152-Q154 PolarHBondContact O-N 2.98Å; Q154-S156 PolarHBondContact O-N 3.37Å
155S37.3Very low45.2Very low94 Ų94133.4 Ų133.466%0.65772%0.722SS**  trans-6886.7170.9-178.90000105.3S153 Q157S153-S155 PolarHBondContact O-N 3.08Å; S155-Q157 PolarHBondContact O-N 2.8Å; S155-Q157 VanDerWaalsContact O-N 3.17Å; S155-Q157 PolarHBondContact OG-O 2.92Å
156S49Very low45Very low118 Ų118129.9 Ų129.983%0.82572%0.721SS**  trans-7514.1173.974.60000112.3Q154Q154-S156 PolarHBondContact O-N 3.37Å
157Q45.8Very low44.6Very low161 Ų161132.7 Ų132.775%0.75274%0.736SS**SBendtrans-117.7101.4167.2-88.6162.6-21.800108.6S155 P159S155-Q157 PolarHBondContact O-N 2.8Å; S155-Q157 VanDerWaalsContact O-N 3.17Å; S155-Q157 PolarHBondContact OG-O 2.92Å; Q157-P159 WeakPolarHBondContact O-CD 3.16Å
158R40.6Very low44Very low242 Ų242135.1 Ų135.191%0.91375%0.75SS**  trans-50.1116.3159.2-84.2-178.3170.4111.9-2.9107.8
159P41.3Very low43.6Very low99 Ų99134.3 Ų134.364%0.64375%0.75SS**  trans-67.3130.1149-120.3000105.7Q157 C161Q157-P159 WeakPolarHBondContact O-CD 3.16Å; P159-C161 PolarHBondContact O-N 3.37Å
160N50.4Low43.6Very low134 Ų134138.9 Ų138.972%0.71777%0.765SS**  trans-63.788.7169.2-172.856.8000107.9D162N160-D162 PolarHBondContact ND2-OD2 3.02Å; N160-D162 VanDerWaalsContact ND2-OD2 3.16Å
161C45.1Very low43.4Very low92 Ų92137.6 Ų137.662%0.62276%0.761SS**  trans-91.3100.3169.2-62.80000106.6P159 C163P159-C161 PolarHBondContact O-N 3.37Å; C161-C163 PolarHBondContact O-N 3.44Å
162D48.6Very low43.2Very low136 Ų136141 Ų14173%0.72777%0.765SS**  trans-67.383.9163.8-72.6-54.1000107.8N160 P164N160-D162 PolarHBondContact ND2-OD2 3.02Å; N160-D162 VanDerWaalsContact ND2-OD2 3.16Å; D162-P164 WeakPolarHBondContact O-CD 3.23Å
163C45.7Very low42.9Very low105 Ų105141 Ų14171%0.70976%0.76SS**PPolyproline II helixtrans-72.4119.9166.9-68.20000107.5C161C161-C163 PolarHBondContact O-N 3.44Å
164P57Low42.5Very low110 Ų110141.1 Ų141.171%0.71476%0.757SS**PPolyproline II helixtrans-61.8146.6169.525.9-30.9000109.1D162 C166D162-P164 WeakPolarHBondContact O-CD 3.23Å; P164-C166 PolarHBondContact O-N 2.97Å
165P44.1Very low41.9Very low116 Ų116140.7 Ų140.775%0.75376%0.755SS**PPolyproline II helixtrans-63.6136.8-17826.9-32.3000109.7V167P165-V167 PolarHBondContact O-N 3.29Å
166C42.4Very low41.5Very low118 Ų118143.7 Ų143.780%0.79776%0.763SS**  trans-62.4106.8172.5-48.60000108.4P164 F168P164-C166 PolarHBondContact O-N 2.97Å; C166-F168 PolarHBondContact O-N 3.39Å
167V38Very low40.8Very low113 Ų113142.9 Ų142.969%0.68576%0.755SS**  trans-74.6110.3167.4-1800000106.6P165 N169P165-V167 PolarHBondContact O-N 3.29Å; V167-N169 PolarHBondContact O-N 3.46Å
168F41Very low40Very low193 Ų193141.4 Ų141.485%0.84676%0.761SS**  trans-69.1106.7163.4-87-94.4000107.1C166 E170C166-F168 PolarHBondContact O-N 3.39Å; F168-E170 PolarHBondContact O-N 2.94Å
169N37.2Very low39.7Very low128 Ų128138.9 Ų138.968%0.68476%0.759SS**  trans-77.2105.5164.8-69.4-32.7000107.4V167 E171V167-N169 PolarHBondContact O-N 3.46Å; N169-E171 HydrophobicContact CB-CG 4.48Å; N169-E171 PolarHBondContact O-N 3.03Å; N169-E171 VanDerWaalsContact O-N 3.11Å
170E45.7Very low39.4Very low198 Ų198143.2 Ų143.293%0.92577%0.771SS**  trans-69.289.8151.6-107.5173111.500106.5F168 E172F168-E170 PolarHBondContact O-N 2.94Å; E170-E172 PolarHBondContact O-N 3.01Å
171E35.9Very low38.5Very low159 Ų159141.9 Ų141.974%0.74378%0.779SS**  trans-82.599161.2-83-176.1150.800108.1N169 H173N169-E171 HydrophobicContact CB-CG 4.48Å; N169-E171 PolarHBondContact O-N 3.03Å; N169-E171 VanDerWaalsContact O-N 3.11Å; E171-H173 PolarHBondContact O-N 3.25Å
172E38Very low37.8Very low180 Ų180141.4 Ų141.484%0.84179%0.789SS**  trans-55.486.7157.5-172.9-179.213400109E170 T174E170-E172 PolarHBondContact O-N 3.01Å; E172-T174 PolarHBondContact O-N 3.31Å
173H32.6Very low36.9Very low170 Ų170139.9 Ų139.979%0.78780%0.796SS**  trans-89.289.7166.3-122.694.2000109.3E171E171-H173 PolarHBondContact O-N 3.25Å
174T30.7Very low36.2Very low107 Ų107143.9 Ų143.966%0.65680%0.804SS**  trans-20.5128151.6-48.50000113.2E172E172-T174 PolarHBondContact O-N 3.31Å
175Q33.6Very low34.9Very low181 Ų181147.5 Ų147.585%0.84681%0.812SS**  trans-52.6132.3169.4-67.2164.9-79.600111.2
176D28.1Very low34.1Very low157 Ų157146.5 Ų146.584%0.8481%0.813SS**  trans-111.2113.1161.6-125.4-19.1000109.1
177P34.2Very low33.5Very low101 Ų101149.8 Ų149.866%0.65682%0.816SS**PPolyproline II helixtrans-77.2134.2175.9-11.427.1000111.7H179P177-H179 PolarHBondContact O-N 3.44Å; P177-H179 VanDerWaalsContact O-N 3.15Å
178C29.9Very low33.4Very low131 Ų131149.3 Ų149.389%0.88582%0.816SS**PPolyproline II helixtrans-59.2119168-80.40000111Q180C178-Q180 PolarHBondContact O-N 3.18Å
179H33.8Very low32.8Very low188 Ų188147.9 Ų147.987%0.8782%0.816SS**PPolyproline II helixtrans-47.7123.8173.2-65.6-74.6000113.4P177P177-H179 PolarHBondContact O-N 3.44Å; P177-H179 VanDerWaalsContact O-N 3.15Å
180Q36Very low32.5Very low190 Ų190149.9 Ų149.989%0.88882%0.821SS**PPolyproline II helixtrans-87.8134.6153.4-85.2-157.4-35.900109.8C178C178-Q180 PolarHBondContact O-N 3.18Å
181A31.4Very low32Very low106 Ų106145.7 Ų145.788%0.87681%0.811SS**PPolyproline II helixtrans-71.3129.4168.200000109.9
182G30.3Very low31.8Very low82 Ų82141.5 Ų141.585%0.84580%0.8SS**PPolyproline II helixtrans-81.5150.6-179.600000114.1
183A29.2Very low31.4Very low104 Ų104141.2 Ų141.286%0.8680%0.798SS**  trans-134.6133.7145.700000107.6
184Q31.5Very low31.4Very low189 Ų189143.2 Ų143.288%0.88381%0.805SS**  trans-60.2153.1-177.8-66.3154.5-31.600110.5
185E28.5Very low31.5Very low187 Ų187145.6 Ų145.687%0.87481%0.813SS**  -177.9153.969.7-150.5174137.400111.4
186A28.9Very low31.5Very low94 Ų94144.4 Ų144.478%0.77781%0.812SS**  trans76.9102.7158.200000121.5
187Q28.2Very low31.7Very low187 Ų187143.3 Ų143.387%0.87481%0.805SS**  trans-73.1175.8148.9-74.3178.7-82.200110.6
188P36.8Very low31.6Very low104 Ų104143.7 Ų143.768%0.67581%0.809SS**  cis-139.7162.512.827.1-2.2000116.5
189L28.7Very low31.9Very low162 Ų162144.5 Ų144.585%0.84880%0.8SS**  161.6124.5123.7-105.692.4000110.8
190Q30.9Very low31.7Very low171 Ų171141.6 Ų141.680%0.79979%0.791SS**  trans-84158.4154.6-129.6-168.7-10.600108
191P33.8Very low31.5Very low110 Ų110142.1 Ų142.171%0.71479%0.785SS**  -147163.873.936.6-16.3000116.6
192S32.6Very low31.6Very low71 Ų71141.8 Ų141.850%0.49778%0.777SS.*  trans-0.9141.1153.456.70000118.8
193H30.5Very low31.8Very low174 Ų174144.5 Ų144.581%0.80677%0.771SS**  -173.4118114.4-79.4-54.9000109.6
194F32.3Very low32Very low212 Ų212147.7 Ų147.793%0.9377%0.768SS**  trans-65.5129158.5-90.9-102.6000108.6
195L33.1Very low32.1Very low157 Ų157144.7 Ų144.782%0.82276%0.762SS**  trans-139.8111.3153.6-88.9174.2000109.2
196D32.9Very low32.4Very low156 Ų156142.2 Ų142.283%0.83476%0.755SS**  trans-71.1122.4165.3-150.8-4.9000107.6
197I31.5Very low32.9Very low134 Ų134144.5 Ų144.569%0.68775%0.754SS**  trans-133.1102.6168.2-60.7-179.4000108E199I197-E199 HydrophobicContact CG2-CG 4.05Å
198S33Very low33.4Very low108 Ų108144.6 Ų144.676%0.75576%0.757SS**  trans-79.1121.1164159.70000109.6
199E35.1Very low33.6Very low148 Ų148148 Ų14869%0.69277%0.767SS**  trans-138.289.4161.7-67.1-174.4132.600107.5I197I197-E199 HydrophobicContact CG2-CG 4.05Å
200D31.1Very low34.1Very low127 Ų127143.8 Ų143.868%0.67976%0.764SS**  20.3102.7108.1-167.429000115.1S202D200-S202 PolarHBondContact OD1-OG 3.38Å
201W31.2Very low34.6Very low201 Ų201141.1 Ų141.176%0.76176%0.764SS**  trans-133.680.9161.8-77.395.9000109.3L203W201-L203 HydrophobicContact CE3-CD1 4.06Å; W201-L203 HydrophobicContact CE3-CG 4.2Å; W201-L203 HydrophobicContact CZ3-CD1 4.37Å
202S32.6Very low34.7Very low100 Ų100148.2 Ų148.270%0.69979%0.79SS**  trans-84.4104.5161.8-59.40000108.9D200D200-S202 PolarHBondContact OD1-OG 3.38Å
203L34.6Very low34.8Very low139 Ų139152.1 Ų152.173%0.72881%0.805SS**  trans-116.995.7170.6-73.3179.1000111.6W201W201-L203 HydrophobicContact CE3-CD1 4.06Å; W201-L203 HydrophobicContact CE3-CG 4.2Å; W201-L203 HydrophobicContact CZ3-CD1 4.37Å
204H33.4Very low35Very low171 Ų171150.9 Ų150.979%0.79281%0.805SS**  trans11.3108.5138.2-143.6-32.7000116.8
205V35.3Very low35.1Very low125 Ų125147.5 Ų147.576%0.75880%0.798SS**  trans-83.8121.6154.3175.90000106.2
206D35Very low35.3Very low135 Ų135146.9 Ų146.972%0.72280%0.797SS**  trans-179.5149.1138-94.2-36.4000112.9
207D37.5Very low35.4Very low143 Ų143146.4 Ų146.477%0.76579%0.794SS**  trans70.1109167.3-86.2-21.9000121.1
208M40.4Very low35.7Very low189 Ų189147.2 Ų147.293%0.93180%0.801SS**  -166.4102.3106.1-97.7-170-66.100111.1
209I40.8Very low35.9Very low174 Ų174150 Ų15089%0.89281%0.805SS**  trans-92.2124.9150.2-77.5162.6000106.1
210G38.6Very low35.9Very low75 Ų75150.2 Ų150.277%0.77381%0.813SS**  trans-165.190.5-178.500000113.3
211S41.1Very low36.3Very low114 Ų114152.1 Ų152.180%0.79782%0.824SS**  trans-31127.9166.7-169.90000116.8
212M35.6Very low36.8Very low259 Ų259147.6 Ų147.6100%1.27683%0.83SS**  177.60120.9-94.8-175.9-172.200110.4

Retrieved 212 of 212 residues in 462.7 ms (Link to these results)