A0A077ZER1_TRITR Loading...

TIA 1 ue

AlphaFold DB , UniProt , Accession A0A077ZER1, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 318 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
1M56.1Low71.1Confident81 Ų8170.8 Ų70.840%0.39939%0.387SS..  0148.60-168.3168.7-74.800107.7V5 L10 I25 P33 A35M1-V5 HydrophobicContact CG-CB 3.65Å; M1-V5 HydrophobicContact CG-CG1 3.8Å; M1-V5 HydrophobicContact CG-CG2 3.75Å; M1-V5 HydrophobicContact SD-CB 4.02Å; M1-V5 HydrophobicContact SD-CG1 3.57Å; M1-V5 VanDerWaalsContact SD-CG1 3.57Å; M1-L10 HydrophobicContact CE-CD1 4.22Å; M1-L10 HydrophobicContact CE-CD2 4.41Å; M1-L10 HydrophobicContact SD-CD1 4.04Å; M1-I25 HydrophobicContact SD-CD1 4.26Å; M1-I25 HydrophobicContact SD-CG1 4.36Å; M1-I25 HydrophobicContact SD-CG2 4.34Å; M1-P33 WeakPolarHBondContact CA-O 3.27Å; M1-P33 HydrophobicContact CB-CB 4.49Å; M1-P33 HydrophobicContact CB-CG 4.16Å; M1-P33 WeakPolarHBondContact CB-O 3.46Å; M1-P33 PolarHBondContact N-O 2.83Å; M1-P33 WeakPolarHBondContact O-CG 3.38Å; M1-A35 HydrophobicContact CE-CB 3.43Å; M1-A35 VanDerWaalsContact CE-CB 3.43Å; M1-A35 HydrophobicContact SD-CB 3.76Å
2E53.8Low71.9Confident53 Ų5371.5 Ų71.525%0.24840%0.401CS..  trans-75.2141.6177.5-164.4-168.3139.600109.2S4 V5E2-S4 WeakPolarHBondContact CG-OG 3.35Å; E2-S4 PolarHBondContact O-N 3.01Å; E2-S4 WeakPolarHBondContact OE1-CB 3.39Å; E2-S4 PolarHBondContact OE1-OG 3.36Å; E2-S4 PolarHBondContact OE2-OG 2.78Å; E2-V5 HydrophobicContact CB-CG2 4.14Å; E2-V5 WeakPolarHBondContact O-CB 3.47Å; E2-V5 WeakPolarHBondContact O-CG2 3.35Å; E2-V5 PolarHBondContact O-N 3.46Å
3P57.5Low72.4Confident110 Ų11067.8 Ų67.871%0.71438%0.379SS*.THydrogen-bonded Turntrans-58.1-16.5177.9-25.334000114.9
4S60.7Low73.3Confident76 Ų7664 Ų6453%0.53136%0.357SS..THydrogen-bonded Turntrans-80.7-14.2176.362.80000113.6E2 S6E2-S4 WeakPolarHBondContact CG-OG 3.35Å; E2-S4 PolarHBondContact O-N 3.01Å; E2-S4 WeakPolarHBondContact OE1-CB 3.39Å; E2-S4 PolarHBondContact OE1-OG 3.36Å; E2-S4 PolarHBondContact OE2-OG 2.78Å; S4-S6 PolarHBondContact O-N 3.31Å; S4-S6 VanDerWaalsContact O-N 3.13Å
5V67.2Low74.1Confident24 Ų2463.9 Ų63.915%0.14536%0.363CS..  trans-69.5113.6178176.30000108.3M1 E2 F9 L10 I25M1-V5 HydrophobicContact CG-CB 3.65Å; M1-V5 HydrophobicContact CG-CG1 3.8Å; M1-V5 HydrophobicContact CG-CG2 3.75Å; M1-V5 HydrophobicContact SD-CB 4.02Å; M1-V5 HydrophobicContact SD-CG1 3.57Å; M1-V5 VanDerWaalsContact SD-CG1 3.57Å; E2-V5 HydrophobicContact CB-CG2 4.14Å; E2-V5 WeakPolarHBondContact O-CB 3.47Å; E2-V5 WeakPolarHBondContact O-CG2 3.35Å; E2-V5 PolarHBondContact O-N 3.46Å; V5-F9 HydrophobicContact CG1-CD1 4.04Å; V5-L10 HydrophobicContact CG1-CD1 3.99Å; V5-L10 HydrophobicContact CG1-CD2 3.7Å; V5-L10 HydrophobicContact CG1-CG 3.65Å; V5-I25 HydrophobicContact CG1-CD1 4.12Å; V5-I25 WeakPolarHBondContact O-CD1 3.39Å
6S78.1Confident74.5Confident56 Ų5669.5 Ų69.539%0.39239%0.385SS..  trans-92.5154.9175.467.80000111.4S4 Q8 F9 L10S4-S6 PolarHBondContact O-N 3.31Å; S4-S6 VanDerWaalsContact O-N 3.13Å; S6-Q8 PolarHBondContact O-N 3Å; S6-F9 WeakPolarHBondContact O-CB 3.27Å; S6-F9 PolarHBondContact O-N 3.28Å; S6-F9 VanDerWaalsContact O-N 3.08Å; S6-F9 WeakPolarHBondContact OG-CB 3.3Å; S6-F9 PolarHBondContact OG-N 3.34Å; S6-F9 VanDerWaalsContact OG-N 3.07Å; S6-L10 PolarHBondContact O-N 3.42Å; S6-L10 VanDerWaalsContact O-N 3.1Å
7E82Confident74.9Confident89 Ų8967.8 Ų67.842%0.41637%0.374SS..Hα-helixtrans-56.3-36.7171.9-72.7174.8176.900111.1L10 V11 K24 I25E7-L10 PolarHBondContact O-N 2.8Å; E7-V11 WeakPolarHBondContact O-CB 3.28Å; E7-V11 VanDerWaalsContact O-CG2 3.24Å; E7-V11 WeakPolarHBondContact O-CG2 3.23Å; E7-V11 PolarHBondContact O-N 2.69Å; E7-K24 WeakPolarHBondContact OE1-CA 2.99Å; E7-I25 HydrophobicContact CG-CB 4.28Å; E7-I25 HydrophobicContact CG-CD1 3.94Å; E7-I25 HydrophobicContact CG-CG1 3.69Å; E7-I25 PolarHBondContact OE1-N 3.46Å
8Q78.9Confident75.5Confident166 Ų16665 Ų6578%0.77636%0.364SS*.Hα-helixtrans-64-40.2175.8-70.1-149.726.800113S6 V11 S12S6-Q8 PolarHBondContact O-N 3Å; Q8-V11 PolarHBondContact O-N 3.13Å; Q8-S12 WeakPolarHBondContact O-CB 3.45Å; Q8-S12 PolarHBondContact O-N 2.85Å
9F80.4Confident76.2Confident64 Ų6467.6 Ų67.628%0.28138%0.381SS..Hα-helixtrans-61.9-46.9175.2170.1-95.7000110.8V5 S6 S12 L13 L58V5-F9 HydrophobicContact CG1-CD1 4.04Å; S6-F9 WeakPolarHBondContact O-CB 3.27Å; S6-F9 PolarHBondContact O-N 3.28Å; S6-F9 VanDerWaalsContact O-N 3.08Å; S6-F9 WeakPolarHBondContact OG-CB 3.3Å; S6-F9 PolarHBondContact OG-N 3.34Å; S6-F9 VanDerWaalsContact OG-N 3.07Å; F9-S12 PolarHBondContact O-N 3.08Å; F9-L13 HydrophobicContact CE1-CD2 3.96Å; F9-L13 HydrophobicContact CZ-CD2 4.12Å; F9-L13 VanDerWaalsContact O-CB 3.27Å; F9-L13 WeakPolarHBondContact O-CB 3.24Å; F9-L13 PolarHBondContact O-N 3.2Å; F9-L58 HydrophobicContact CE2-CD2 4.33Å; F9-L58 HydrophobicContact CZ-CD1 4.23Å; F9-L58 HydrophobicContact CZ-CD2 3.75Å; F9-L58 HydrophobicContact CZ-CG 4.03Å
10L83.2Confident76.8Confident6 Ų665.4 Ų65.43%0.03137%0.369CS..Hα-helixtrans-61.3-47.4176.9-66.1176.9000110.9M1 V5 S6 E7 S12 L13 F14 C23 I25 A35 I37M1-L10 HydrophobicContact CE-CD1 4.22Å; M1-L10 HydrophobicContact CE-CD2 4.41Å; M1-L10 HydrophobicContact SD-CD1 4.04Å; V5-L10 HydrophobicContact CG1-CD1 3.99Å; V5-L10 HydrophobicContact CG1-CD2 3.7Å; V5-L10 HydrophobicContact CG1-CG 3.65Å; S6-L10 PolarHBondContact O-N 3.42Å; S6-L10 VanDerWaalsContact O-N 3.1Å; E7-L10 PolarHBondContact O-N 2.8Å; L10-S12 VanDerWaalsContact C-N 3.34Å; L10-S12 PolarHBondContact O-N 3.07Å; L10-L13 PolarHBondContact O-N 2.84Å; L10-F14 HydrophobicContact CB-CD2 4.46Å; L10-F14 HydrophobicContact CD2-CE2 4.1Å; L10-F14 WeakPolarHBondContact O-CB 3.47Å; L10-F14 VanDerWaalsContact O-CD2 3.22Å; L10-F14 WeakPolarHBondContact O-CD2 3.45Å; L10-F14 PolarHBondContact O-N 2.99Å; L10-C23 VanDerWaalsContact CB-SG 3.57Å; L10-I25 HydrophobicContact CD1-CD1 3.77Å; L10-I25 HydrophobicContact CD1-CG1 3.77Å; L10-A35 HydrophobicContact CD1-CB 3.38Å; L10-I37 HydrophobicContact CB-CD1 4.1Å; L10-I37 HydrophobicContact CD1-CD1 4.39Å; L10-I37 HydrophobicContact CD2-CD1 4.38Å
11V83.9Confident77.4Confident54 Ų5465.4 Ų65.433%0.32737%0.373SS..Hα-helixtrans-56.4-48.4176.5170.70000110.7E7 Q8 L13 F14 S15 V20 C23E7-V11 WeakPolarHBondContact O-CB 3.28Å; E7-V11 VanDerWaalsContact O-CG2 3.24Å; E7-V11 WeakPolarHBondContact O-CG2 3.23Å; E7-V11 PolarHBondContact O-N 2.69Å; Q8-V11 PolarHBondContact O-N 3.13Å; V11-L13 PolarHBondContact O-N 2.88Å; V11-F14 PolarHBondContact O-N 3.33Å; V11-S15 WeakPolarHBondContact O-CB 3.48Å; V11-S15 PolarHBondContact O-N 3.1Å; V11-S15 PolarHBondContact O-OG 3.26Å; V11-V20 HydrophobicContact CG2-CG1 4.14Å; V11-C23 HydrophobicContact CG2-CB 3.5Å
12S80.9Confident78.9Confident79 Ų7967.5 Ų67.555%0.55238%0.38SS*.Hα-helixtrans-62.2-44.2178.8-178.20000112.5Q8 F9 L10Q8-S12 WeakPolarHBondContact O-CB 3.45Å; Q8-S12 PolarHBondContact O-N 2.85Å; F9-S12 PolarHBondContact O-N 3.08Å; L10-S12 VanDerWaalsContact C-N 3.34Å; L10-S12 PolarHBondContact O-N 3.07Å
13L79.1Confident80.5Confident23 Ų2366 Ų6612%0.1238%0.375CS..Hα-helixtrans-61.2-49.5179177.564.8000111.5F9 L10 V11 F52 L57F9-L13 HydrophobicContact CE1-CD2 3.96Å; F9-L13 HydrophobicContact CZ-CD2 4.12Å; F9-L13 VanDerWaalsContact O-CB 3.27Å; F9-L13 WeakPolarHBondContact O-CB 3.24Å; F9-L13 PolarHBondContact O-N 3.2Å; L10-L13 PolarHBondContact O-N 2.84Å; V11-L13 PolarHBondContact O-N 2.88Å; L13-F52 HydrophobicContact CD1-CE1 4.07Å; L13-F52 HydrophobicContact CD1-CZ 4.01Å; L13-F52 HydrophobicContact CD2-CE1 4.46Å; L13-F52 HydrophobicContact CG-CE1 4.26Å; L13-F52 HydrophobicContact CG-CZ 4.04Å; L13-L57 HydrophobicContact CD2-CD2 3.72Å; L13-L57 VanDerWaalsContact CD2-O 3.23Å; L13-L57 WeakPolarHBondContact CD2-O 3.44Å
14F85Confident81.9Confident15 Ų1566.8 Ų66.87%0.06637%0.368CS..Hα-helixtrans-82.7-18.3-174.8-75.7-77.8000113.7L10 V11 Q16 I17 G18 V20 I37 F39 A48 F52 L57L10-F14 HydrophobicContact CB-CD2 4.46Å; L10-F14 HydrophobicContact CD2-CE2 4.1Å; L10-F14 WeakPolarHBondContact O-CB 3.47Å; L10-F14 VanDerWaalsContact O-CD2 3.22Å; L10-F14 WeakPolarHBondContact O-CD2 3.45Å; L10-F14 PolarHBondContact O-N 2.99Å; V11-F14 PolarHBondContact O-N 3.33Å; F14-Q16 PolarHBondContact O-N 2.74Å; F14-Q16 VanDerWaalsContact O-N 3.14Å; F14-I17 PolarHBondContact O-N 2.79Å; F14-G18 PolarHBondContact O-N 3.32Å; F14-V20 HydrophobicContact CB-CG2 3.79Å; F14-I37 HydrophobicContact CB-CG2 4.42Å; F14-I37 HydrophobicContact CD2-CD1 3.17Å; F14-I37 HydrophobicContact CE1-CD1 4.39Å; F14-I37 HydrophobicContact CE2-CD1 3.02Å; F14-I37 HydrophobicContact CG-CD1 3.95Å; F14-I37 HydrophobicContact CG-CG2 4.43Å; F14-I37 HydrophobicContact CZ-CD1 3.65Å; F14-F39 HydrophobicContact CB-CE1 4.06Å; F14-F39 HydrophobicContact CB-CZ 3.71Å; F14-F39 HydrophobicContact CD1-CE2 4.34Å; F14-F39 AromaticContact CD1-CZ 3.59Å; F14-F39 HydrophobicContact CD1-CZ 3.59Å; F14-F39 HydrophobicContact CE1-CZ 4.46Å; F14-F39 AromaticContact CG-CZ 3.96Å; F14-F39 HydrophobicContact CG-CZ 3.96Å; F14-A48 HydrophobicContact CD1-CB 3.96Å; F14-A48 HydrophobicContact CE1-CB 4.14Å; F14-F52 AromaticContact CD1-CD2 3.64Å; F14-F52 HydrophobicContact CD1-CD2 3.64Å; F14-F52 AromaticContact CD1-CE2 3.64Å; F14-F52 HydrophobicContact CD1-CE2 3.64Å; F14-F52 HydrophobicContact CE1-CB 4.12Å; F14-F52 AromaticContact CE1-CD2 3.33Å; F14-F52 HydrophobicContact CE1-CD2 3.33Å; F14-F52 AromaticContact CE1-CE2 3.8Å; F14-F52 HydrophobicContact CE1-CE2 3.8Å; F14-F52 AromaticContact CE1-CG 3.88Å; F14-F52 HydrophobicContact CE1-CG 3.88Å; F14-F52 HydrophobicContact CZ-CB 4.49Å; F14-F52 HydrophobicContact CZ-CD2 4.23Å; F14-F52 HydrophobicContact CZ-CG 4.41Å; F14-L57 HydrophobicContact CE1-CD2 3.97Å; F14-L57 HydrophobicContact CE2-CD2 3.8Å; F14-L57 HydrophobicContact CZ-CD1 3.96Å; F14-L57 HydrophobicContact CZ-CD2 3.3Å; F14-L57 HydrophobicContact CZ-CG 4.28Å
15S84.2Confident83.1Confident63 Ų6364 Ų6444%0.44135%0.346SS..THydrogen-bonded Turntrans-59.8-20.5170.4-67.90000113V11 I17 G18V11-S15 WeakPolarHBondContact O-CB 3.48Å; V11-S15 PolarHBondContact O-N 3.1Å; V11-S15 PolarHBondContact O-OG 3.26Å; S15-I17 PolarHBondContact O-N 3.38Å; S15-G18 WeakPolarHBondContact CA-O 3.19Å
16Q80.8Confident83.7Confident153 Ų15364.2 Ų64.272%0.71535%0.347SS*.THydrogen-bonded Turntrans-68.7-22173.3-59.6-17815.800113F14F14-Q16 PolarHBondContact O-N 2.74Å; F14-Q16 VanDerWaalsContact O-N 3.14Å
17I82Confident83.4Confident40 Ų4066.9 Ų66.921%0.20535%0.353CS..THydrogen-bonded Turntrans-98.2-34.7-179.5-58.1-60.5000111.8F14 S15 F39 H47 A48 A51 F52F14-I17 PolarHBondContact O-N 2.79Å; S15-I17 PolarHBondContact O-N 3.38Å; I17-F39 HydrophobicContact CB-CE1 4.49Å; I17-H47 HydrophobicContact CG2-CB 3.74Å; I17-A48 HydrophobicContact CB-CB 4.41Å; I17-A48 HydrophobicContact CG2-CB 3.95Å; I17-A51 HydrophobicContact CD1-CB 4.02Å; I17-F52 HydrophobicContact CD1-CE2 4.06Å; I17-F52 HydrophobicContact CG1-CD2 4.22Å; I17-F52 HydrophobicContact CG1-CE2 3.47Å; I17-F52 VanDerWaalsContact CG1-CE2 3.47Å; I17-F52 HydrophobicContact CG1-CZ 4.32Å
18G84.6Confident82.5Confident18 Ų1871.3 Ų71.319%0.18637%0.373CS..SBendtrans175.5176.1177.600000112.4F14 S15 V20F14-G18 PolarHBondContact O-N 3.32Å; S15-G18 WeakPolarHBondContact CA-O 3.19Å; G18-V20 PolarHBondContact O-N 3.33Å
19V88.9Confident81.5Confident114 Ų11465.9 Ų65.969%0.69135%0.351SS*.  trans-64.2119.2-177.8-178.90000110.1F39 G40V19-F39 CarbonylContact O-C 3.5Å; V19-F39 WeakPolarHBondContact O-CA 3.35Å; V19-G40 PolarHBondContact O-N 3.29Å
20V89.2Confident80.5Confident23 Ų2368.3 Ų68.314%0.13938%0.383CS..EExtended strand (participates in β ladder)trans-84.5117.5172.7-178.90000108.7V11 F14 G18 C23 I37 E38 F39V11-V20 HydrophobicContact CG2-CG1 4.14Å; F14-V20 HydrophobicContact CB-CG2 3.79Å; G18-V20 PolarHBondContact O-N 3.33Å; V20-C23 HydrophobicContact CG1-CB 4.33Å; V20-I37 HydrophobicContact CG1-CG2 3.8Å; V20-I37 HydrophobicContact CG2-CG2 4.29Å; V20-E38 CarbonylContact C-O 3.55Å; V20-F39 HydrophobicContact CG2-CD1 4.43Å; V20-F39 HydrophobicContact CG2-CE1 4.08Å
21S88.6Confident79.4Confident66 Ų6674.2 Ų74.246%0.46242%0.415SS..EExtended strand (participates in β ladder)trans-80.9-46.1178.2173.70000111.3E38S21-E38 PolarHBondContact N-O 2.63Å; S21-E38 PolarHBondContact OG-OE1 3.43Å
22K87.7Confident78.4Confident126 Ų12678.1 Ų78.155%0.54843%0.434SS..EExtended strand (participates in β ladder)trans-143145.5177.9-54.6-163.7-168.689.40110.7I37 E38K22-I37 CarbonylContact O-C 3.59Å; K22-I37 WeakPolarHBondContact O-CA 3.27Å; K22-E38 HydrophobicContact CB-CB 3.91Å; K22-E38 WeakPolarHBondContact CD-OE2 3.41Å; K22-E38 HydrophobicContact CG-CB 4.47Å; K22-E38 WeakPolarHBondContact CG-OE2 3.4Å; K22-E38 PolarHBondContact N-O 2.8Å; K22-E38 IonicContact NZ-OE1 3.31Å; K22-E38 PolarHBondContact NZ-OE1 2.89Å; K22-E38 IonicContact NZ-OE2 2.78Å; K22-E38 PolarHBondContact NZ-OE2 3.48Å; K22-E38 PolarHBondContact O-N 3.38Å
23C88.6Confident78Confident21 Ų2175.8 Ų75.814%0.14242%0.417CS..EExtended strand (participates in β ladder)trans-136.6131171.1-178.10000107.4L10 V11 V20 F36L10-C23 VanDerWaalsContact CB-SG 3.57Å; V11-C23 HydrophobicContact CG2-CB 3.5Å; V20-C23 HydrophobicContact CG1-CB 4.33Å; C23-F36 CarbonylContact C-O 3.53Å; C23-F36 VanDerWaalsContact CA-O 3.3Å; C23-F36 WeakPolarHBondContact CA-O 3.32Å
24K87.1Confident77.9Confident127 Ų12779 Ų7955%0.55243%0.428SS*.EExtended strand (participates in β ladder)trans-142.7126.4177.9-172.6172.9-176.31790111.2E7 I26 A35 F36E7-K24 WeakPolarHBondContact OE1-CA 2.99Å; K24-I26 HydrophobicContact CD-CD1 4.01Å; K24-I26 HydrophobicContact CG-CD1 4.02Å; K24-A35 CarbonylContact O-C 3.53Å; K24-A35 VanDerWaalsContact O-CA 3.23Å; K24-A35 WeakPolarHBondContact O-CA 3.2Å; K24-F36 PolarHBondContact N-O 3.2Å; K24-F36 PolarHBondContact O-N 2.85Å
25I84.7Confident77.9Confident16 Ų1679.6 Ų79.68%0.08244%0.435CS..EExtended strand (participates in β ladder)trans-98132.9174.7-57.8177.6000110M1 V5 E7 L10 H27 A35M1-I25 HydrophobicContact SD-CD1 4.26Å; M1-I25 HydrophobicContact SD-CG1 4.36Å; M1-I25 HydrophobicContact SD-CG2 4.34Å; V5-I25 HydrophobicContact CG1-CD1 4.12Å; V5-I25 WeakPolarHBondContact O-CD1 3.39Å; E7-I25 HydrophobicContact CG-CB 4.28Å; E7-I25 HydrophobicContact CG-CD1 3.94Å; E7-I25 HydrophobicContact CG-CG1 3.69Å; E7-I25 PolarHBondContact OE1-N 3.46Å; L10-I25 HydrophobicContact CD1-CD1 3.77Å; L10-I25 HydrophobicContact CD1-CG1 3.77Å; I25-H27 WeakPolarHBondContact CG2-CE1 3.37Å; I25-A35 HydrophobicContact CG1-CB 3.82Å
26I80.8Confident78Confident30 Ų3082.7 Ų82.715%0.15444%0.441CS..EExtended strand (participates in β ladder)trans-110.6121.1177.8-52.7-60.5000109.3K24 P33 Y34 F36K24-I26 HydrophobicContact CD-CD1 4.01Å; K24-I26 HydrophobicContact CG-CD1 4.02Å; I26-P33 WeakPolarHBondContact O-CA 3.44Å; I26-P33 WeakPolarHBondContact O-CB 3.27Å; I26-Y34 HydrophobicContact CB-CD1 4.2Å; I26-Y34 HydrophobicContact CB-CD2 4.44Å; I26-Y34 HydrophobicContact CB-CE1 3.73Å; I26-Y34 HydrophobicContact CB-CE2 4.05Å; I26-Y34 HydrophobicContact CG1-CE2 3.97Å; I26-Y34 HydrophobicContact CG2-CE1 3.68Å; I26-Y34 PolarHBondContact N-O 2.6Å; I26-Y34 PolarHBondContact O-N 3.2Å; I26-F36 HydrophobicContact CG1-CD2 4.29Å; I26-F36 HydrophobicContact CG1-CE2 4.23Å
27H71.6Confident78.4Confident112 Ų11277.5 Ų77.552%0.51942%0.418SS..  trans-106.7-9.6179.4-61.190.7000113.1I25 T29I25-H27 WeakPolarHBondContact CG2-CE1 3.37Å; H27-T29 PolarHBondContact O-N 3.49Å
28E62.1Low78.7Confident182 Ų18279.7 Ų79.785%0.8543%0.427SS*.  trans-84.12.7-164.1-76.9178165.500115.7
29T58.6Low79.1Confident51 Ų5180 Ų8031%0.31342%0.424SS..SBendtrans-92147.3179.350.80000111.7H27 N31 Y34H27-T29 PolarHBondContact O-N 3.49Å; T29-N31 PolarHBondContact O-N 3.42Å; T29-N31 PolarHBondContact OG1-O 2.86Å; T29-N31 VanDerWaalsContact OG1-O 3.05Å; T29-Y34 HydrophobicContact CG2-CE1 3.81Å
30A59.3Low79.1Confident115 Ų11577.6 Ų77.695%0.9542%0.421SS*.SBendtrans-61.5-3.5165.700000113.5
31N58.8Low79Confident130 Ų13078.8 Ų78.870%0.69543%0.431SS*.SBendtrans-102.2162.4174.7-67.2-33.3000110.9T29T29-N31 PolarHBondContact O-N 3.42Å; T29-N31 PolarHBondContact OG1-O 2.86Å; T29-N31 VanDerWaalsContact OG1-O 3.05Å
32D64.6Low78.9Confident137 Ų13783.2 Ų83.273%0.73344%0.444SS*.  trans-43.9135.4175.9-64-37.5000112.2
33P70.9Confident78.9Confident29 Ų2981.2 Ų81.219%0.18845%0.446CS..  trans-61.9146-179.528-35.6000109.6M1 I26M1-P33 WeakPolarHBondContact CA-O 3.27Å; M1-P33 HydrophobicContact CB-CB 4.49Å; M1-P33 HydrophobicContact CB-CG 4.16Å; M1-P33 WeakPolarHBondContact CB-O 3.46Å; M1-P33 PolarHBondContact N-O 2.83Å; M1-P33 WeakPolarHBondContact O-CG 3.38Å; I26-P33 WeakPolarHBondContact O-CA 3.44Å; I26-P33 WeakPolarHBondContact O-CB 3.27Å
34Y77.8Confident78.8Confident92 Ų9280.5 Ų80.536%0.36144%0.441SS..EExtended strand (participates in β ladder)trans-136.7160.6-174.562.8-79.4000110I26 T29 F36I26-Y34 HydrophobicContact CB-CD1 4.2Å; I26-Y34 HydrophobicContact CB-CD2 4.44Å; I26-Y34 HydrophobicContact CB-CE1 3.73Å; I26-Y34 HydrophobicContact CB-CE2 4.05Å; I26-Y34 HydrophobicContact CG1-CE2 3.97Å; I26-Y34 HydrophobicContact CG2-CE1 3.68Å; I26-Y34 PolarHBondContact N-O 2.6Å; I26-Y34 PolarHBondContact O-N 3.2Å; T29-Y34 HydrophobicContact CG2-CE1 3.81Å; Y34-F36 HydrophobicContact CD2-CD2 4.42Å; Y34-F36 AromaticContact CD2-CE2 3.91Å; Y34-F36 HydrophobicContact CD2-CE2 3.91Å; Y34-F36 HydrophobicContact CD2-CZ 4.09Å; Y34-F36 HydrophobicContact CE2-CD2 4.16Å; Y34-F36 AromaticContact CE2-CE2 3.29Å; Y34-F36 HydrophobicContact CE2-CE2 3.29Å; Y34-F36 AromaticContact CE2-CZ 3.53Å; Y34-F36 HydrophobicContact CE2-CZ 3.53Å
35A85Confident78.7Confident26 Ų2676.2 Ų76.222%0.21543%0.429CS..EExtended strand (participates in β ladder)trans-128.614917800000111.7M1 L10 K24 I25M1-A35 HydrophobicContact CE-CB 3.43Å; M1-A35 VanDerWaalsContact CE-CB 3.43Å; M1-A35 HydrophobicContact SD-CB 3.76Å; L10-A35 HydrophobicContact CD1-CB 3.38Å; K24-A35 CarbonylContact O-C 3.53Å; K24-A35 VanDerWaalsContact O-CA 3.23Å; K24-A35 WeakPolarHBondContact O-CA 3.2Å; I25-A35 HydrophobicContact CG1-CB 3.82Å
36F87.2Confident78.5Confident128 Ų12878.4 Ų78.456%0.56144%0.444SS*.EExtended strand (participates in β ladder)trans-106.6135.1168.9-67-75.7000110C23 K24 I26 Y34C23-F36 CarbonylContact C-O 3.53Å; C23-F36 VanDerWaalsContact CA-O 3.3Å; C23-F36 WeakPolarHBondContact CA-O 3.32Å; K24-F36 PolarHBondContact N-O 3.2Å; K24-F36 PolarHBondContact O-N 2.85Å; I26-F36 HydrophobicContact CG1-CD2 4.29Å; I26-F36 HydrophobicContact CG1-CE2 4.23Å; Y34-F36 HydrophobicContact CD2-CD2 4.42Å; Y34-F36 AromaticContact CD2-CE2 3.91Å; Y34-F36 HydrophobicContact CD2-CE2 3.91Å; Y34-F36 HydrophobicContact CD2-CZ 4.09Å; Y34-F36 HydrophobicContact CE2-CD2 4.16Å; Y34-F36 AromaticContact CE2-CE2 3.29Å; Y34-F36 HydrophobicContact CE2-CE2 3.29Å; Y34-F36 AromaticContact CE2-CZ 3.53Å; Y34-F36 HydrophobicContact CE2-CZ 3.53Å
37I89Confident78.4Confident44 Ų4482.1 Ų82.123%0.22646%0.46CS..EExtended strand (participates in β ladder)trans-131.1117.8179.8-51.8179.2000107.9L10 F14 V20 K22 F39L10-I37 HydrophobicContact CB-CD1 4.1Å; L10-I37 HydrophobicContact CD1-CD1 4.39Å; L10-I37 HydrophobicContact CD2-CD1 4.38Å; F14-I37 HydrophobicContact CB-CG2 4.42Å; F14-I37 HydrophobicContact CD2-CD1 3.17Å; F14-I37 HydrophobicContact CE1-CD1 4.39Å; F14-I37 HydrophobicContact CE2-CD1 3.02Å; F14-I37 HydrophobicContact CG-CD1 3.95Å; F14-I37 HydrophobicContact CG-CG2 4.43Å; F14-I37 HydrophobicContact CZ-CD1 3.65Å; V20-I37 HydrophobicContact CG1-CG2 3.8Å; V20-I37 HydrophobicContact CG2-CG2 4.29Å; K22-I37 CarbonylContact O-C 3.59Å; K22-I37 WeakPolarHBondContact O-CA 3.27Å; I37-F39 HydrophobicContact CG2-CD2 4.39Å; I37-F39 HydrophobicContact CG2-CE2 3.84Å; I37-F39 HydrophobicContact CG2-CZ 4.14Å
38E88.7Confident79Confident86 Ų8677 Ų7740%0.40244%0.437SS..EExtended strand (participates in β ladder)trans-100123.7177.7-173-171.913700108.4V20 S21 K22V20-E38 CarbonylContact C-O 3.55Å; S21-E38 PolarHBondContact N-O 2.63Å; S21-E38 PolarHBondContact OG-OE1 3.43Å; K22-E38 HydrophobicContact CB-CB 3.91Å; K22-E38 WeakPolarHBondContact CD-OE2 3.41Å; K22-E38 HydrophobicContact CG-CB 4.47Å; K22-E38 WeakPolarHBondContact CG-OE2 3.4Å; K22-E38 PolarHBondContact N-O 2.8Å; K22-E38 IonicContact NZ-OE1 3.31Å; K22-E38 PolarHBondContact NZ-OE1 2.89Å; K22-E38 IonicContact NZ-OE2 2.78Å; K22-E38 PolarHBondContact NZ-OE2 3.48Å; K22-E38 PolarHBondContact O-N 3.38Å
39F91.6Very high79.8Confident26 Ų2673.1 Ų73.111%0.11442%0.422CS..EExtended strand (participates in β ladder)trans-95.9147.9173.3-71.1-92.9000110.8F14 I17 V19 V20 I37 S41 A44 A45 A48F14-F39 HydrophobicContact CB-CE1 4.06Å; F14-F39 HydrophobicContact CB-CZ 3.71Å; F14-F39 HydrophobicContact CD1-CE2 4.34Å; F14-F39 AromaticContact CD1-CZ 3.59Å; F14-F39 HydrophobicContact CD1-CZ 3.59Å; F14-F39 HydrophobicContact CE1-CZ 4.46Å; F14-F39 AromaticContact CG-CZ 3.96Å; F14-F39 HydrophobicContact CG-CZ 3.96Å; I17-F39 HydrophobicContact CB-CE1 4.49Å; V19-F39 CarbonylContact O-C 3.5Å; V19-F39 WeakPolarHBondContact O-CA 3.35Å; V20-F39 HydrophobicContact CG2-CD1 4.43Å; V20-F39 HydrophobicContact CG2-CE1 4.08Å; I37-F39 HydrophobicContact CG2-CD2 4.39Å; I37-F39 HydrophobicContact CG2-CE2 3.84Å; I37-F39 HydrophobicContact CG2-CZ 4.14Å; F39-S41 PolarHBondContact O-N 3.43Å; F39-A44 HydrophobicContact CB-CB 4.04Å; F39-A44 HydrophobicContact CD1-CB 3.72Å; F39-A44 HydrophobicContact CG-CB 4.1Å; F39-A45 HydrophobicContact CB-CB 4.13Å; F39-A45 HydrophobicContact CD2-CB 3.92Å; F39-A45 HydrophobicContact CG-CB 4.3Å; F39-A48 HydrophobicContact CD2-CB 4.41Å; F39-A48 HydrophobicContact CE1-CB 4.04Å; F39-A48 HydrophobicContact CE2-CB 3.49Å; F39-A48 VanDerWaalsContact CE2-CB 3.49Å; F39-A48 HydrophobicContact CZ-CB 3.25Å
40G88.9Confident80.5Confident62 Ų6275.5 Ų75.564%0.63944%0.436SS*.SBendtrans-66.8-11.2174.100000114.1V19V19-G40 PolarHBondContact O-N 3.29Å
41S88.3Confident80.9Confident49 Ų4970.9 Ų70.934%0.34340%0.398SS..SBendtrans-138.9144.5174.171.60000112.2F39 S43 A44 A45F39-S41 PolarHBondContact O-N 3.43Å; S41-S43 VanDerWaalsContact C-N 3.26Å; S41-S43 PolarHBondContact O-N 3.05Å; S41-S43 PolarHBondContact OG-OG 2.96Å; S41-A44 PolarHBondContact O-N 3.32Å; S41-A44 WeakPolarHBondContact OG-CB 3.41Å; S41-A44 PolarHBondContact OG-N 3.34Å; S41-A44 VanDerWaalsContact OG-N 3.14Å; S41-A45 PolarHBondContact O-N 3.05Å
42H86.5Confident81.5Confident158 Ų15866.2 Ų66.273%0.73137%0.372SS*.Hα-helixtrans-60.5-37.9174.4-179.676.2000111.7A44 A45 V46H42-A44 PolarHBondContact O-N 2.87Å; H42-A45 PolarHBondContact O-N 2.83Å; H42-V46 WeakPolarHBondContact O-CG2 3.35Å; H42-V46 PolarHBondContact O-N 3.22Å
43S88Confident81.4Confident85 Ų8564.1 Ų64.159%0.59436%0.361SS*.Hα-helixtrans-61.7-41.6176.155.50000112.2S41 V46 H47S41-S43 VanDerWaalsContact C-N 3.26Å; S41-S43 PolarHBondContact O-N 3.05Å; S41-S43 PolarHBondContact OG-OG 2.96Å; S43-V46 PolarHBondContact O-N 3.2Å; S43-H47 VanDerWaalsContact O-CB 3.24Å; S43-H47 WeakPolarHBondContact O-CB 3.41Å; S43-H47 PolarHBondContact O-N 3.35Å
44A86.3Confident80.5Confident5 Ų569.6 Ų69.64%0.04138%0.381CS..Hα-helixtrans-67.5-38.1175.500000112F39 S41 H42 H47 A48F39-A44 HydrophobicContact CB-CB 4.04Å; F39-A44 HydrophobicContact CD1-CB 3.72Å; F39-A44 HydrophobicContact CG-CB 4.1Å; S41-A44 PolarHBondContact O-N 3.32Å; S41-A44 WeakPolarHBondContact OG-CB 3.41Å; S41-A44 PolarHBondContact OG-N 3.34Å; S41-A44 VanDerWaalsContact OG-N 3.14Å; H42-A44 PolarHBondContact O-N 2.87Å; A44-H47 PolarHBondContact O-N 3.1Å; A44-A48 VanDerWaalsContact O-CB 3.22Å; A44-A48 WeakPolarHBondContact O-CB 3.48Å; A44-A48 PolarHBondContact O-N 3.04Å
45A84.6Confident79.1Confident37 Ų3773.1 Ų73.131%0.30639%0.394SS..Hα-helixtrans-62.9-45.4174.700000112.3F39 S41 H42 A48 L49F39-A45 HydrophobicContact CB-CB 4.13Å; F39-A45 HydrophobicContact CD2-CB 3.92Å; F39-A45 HydrophobicContact CG-CB 4.3Å; S41-A45 PolarHBondContact O-N 3.05Å; H42-A45 PolarHBondContact O-N 2.83Å; A45-A48 PolarHBondContact O-N 3.18Å; A45-L49 WeakPolarHBondContact O-CB 3.46Å; A45-L49 PolarHBondContact O-N 3.12Å
46V80.5Confident77.2Confident63 Ų6377.6 Ų77.638%0.38241%0.414SS..Hα-helixtrans-67.4-38.6177174.30000111.2H42 S43 L49 T50H42-V46 WeakPolarHBondContact O-CG2 3.35Å; H42-V46 PolarHBondContact O-N 3.22Å; S43-V46 PolarHBondContact O-N 3.2Å; V46-L49 PolarHBondContact O-N 2.98Å; V46-T50 WeakPolarHBondContact O-CB 3.43Å; V46-T50 PolarHBondContact O-N 3.05Å; V46-T50 PolarHBondContact O-OG1 2.97Å
47H79.1Confident75Confident108 Ų10874.7 Ų74.750%0.540%0.404SS..Hα-helixtrans-65.5-42.9175.3-169.8-170000110.7I17 S43 A44 T50 A51I17-H47 HydrophobicContact CG2-CB 3.74Å; S43-H47 VanDerWaalsContact O-CB 3.24Å; S43-H47 WeakPolarHBondContact O-CB 3.41Å; S43-H47 PolarHBondContact O-N 3.35Å; A44-H47 PolarHBondContact O-N 3.1Å; H47-T50 PolarHBondContact O-N 3.33Å; H47-A51 WeakPolarHBondContact O-CA 3.05Å; H47-A51 WeakPolarHBondContact O-CB 3.4Å; H47-A51 PolarHBondContact O-N 3.02Å
48A83.8Confident72.6Confident3 Ų374.1 Ų74.13%0.02540%0.402CS..Hα-helixtrans-64.5-44.1176.500000110.7F14 I17 F39 A44 A45 T50 A51 F52F14-A48 HydrophobicContact CD1-CB 3.96Å; F14-A48 HydrophobicContact CE1-CB 4.14Å; I17-A48 HydrophobicContact CB-CB 4.41Å; I17-A48 HydrophobicContact CG2-CB 3.95Å; F39-A48 HydrophobicContact CD2-CB 4.41Å; F39-A48 HydrophobicContact CE1-CB 4.04Å; F39-A48 HydrophobicContact CE2-CB 3.49Å; F39-A48 VanDerWaalsContact CE2-CB 3.49Å; F39-A48 HydrophobicContact CZ-CB 3.25Å; A44-A48 VanDerWaalsContact O-CB 3.22Å; A44-A48 WeakPolarHBondContact O-CB 3.48Å; A44-A48 PolarHBondContact O-N 3.04Å; A45-A48 PolarHBondContact O-N 3.18Å; A48-T50 PolarHBondContact O-N 3.11Å; A48-A51 PolarHBondContact O-N 3.2Å; A48-F52 HydrophobicContact CB-CD2 4.39Å; A48-F52 WeakPolarHBondContact O-CA 3.38Å; A48-F52 WeakPolarHBondContact O-CB 3.41Å; A48-F52 WeakPolarHBondContact O-CD2 3.38Å; A48-F52 PolarHBondContact O-N 3.03Å
49L79Confident69.9Low102 Ų10274.2 Ų74.253%0.53443%0.425SS..Hα-helixtrans-58.4-49.3173-17071000110.1A45 V46 A51 F52 N53A45-L49 WeakPolarHBondContact O-CB 3.46Å; A45-L49 PolarHBondContact O-N 3.12Å; V46-L49 PolarHBondContact O-N 2.98Å; L49-A51 VanDerWaalsContact C-N 3.33Å; L49-A51 PolarHBondContact O-N 2.62Å; L49-F52 PolarHBondContact O-N 2.9Å; L49-N53 HydrophobicContact CD1-CB 3.95Å; L49-N53 HydrophobicContact CG-CB 4.11Å; L49-N53 VanDerWaalsContact O-CA 3.32Å; L49-N53 WeakPolarHBondContact O-CA 3.48Å; L49-N53 WeakPolarHBondContact O-CB 3.32Å; L49-N53 PolarHBondContact O-N 2.6Å
50T72Confident67.2Low100 Ų10080 Ų8061%0.61345%0.45SS*.Hα-helixtrans-68-35.1-179.2-510000112.4V46 H47 A48V46-T50 WeakPolarHBondContact O-CB 3.43Å; V46-T50 PolarHBondContact O-N 3.05Å; V46-T50 PolarHBondContact O-OG1 2.97Å; H47-T50 PolarHBondContact O-N 3.33Å; A48-T50 PolarHBondContact O-N 3.11Å
51A68.6Low64.5Low19 Ų1981.5 Ų81.516%0.15744%0.441CS..Hα-helixtrans-77.4-23.7-17900000112.9I17 H47 A48 L49 R55I17-A51 HydrophobicContact CD1-CB 4.02Å; H47-A51 WeakPolarHBondContact O-CA 3.05Å; H47-A51 WeakPolarHBondContact O-CB 3.4Å; H47-A51 PolarHBondContact O-N 3.02Å; A48-A51 PolarHBondContact O-N 3.2Å; L49-A51 VanDerWaalsContact C-N 3.33Å; L49-A51 PolarHBondContact O-N 2.62Å; A51-R55 WeakPolarHBondContact O-CD 3.31Å
52F71.9Confident62.2Low31 Ų3182.9 Ų82.914%0.13644%0.441CS..Hα-helixtrans-129.9-10.2-171.4-68.4-66.7000115.2L13 F14 I17 A48 L49 K54 R55 L57L13-F52 HydrophobicContact CD1-CE1 4.07Å; L13-F52 HydrophobicContact CD1-CZ 4.01Å; L13-F52 HydrophobicContact CD2-CE1 4.46Å; L13-F52 HydrophobicContact CG-CE1 4.26Å; L13-F52 HydrophobicContact CG-CZ 4.04Å; F14-F52 AromaticContact CD1-CD2 3.64Å; F14-F52 HydrophobicContact CD1-CD2 3.64Å; F14-F52 AromaticContact CD1-CE2 3.64Å; F14-F52 HydrophobicContact CD1-CE2 3.64Å; F14-F52 HydrophobicContact CE1-CB 4.12Å; F14-F52 AromaticContact CE1-CD2 3.33Å; F14-F52 HydrophobicContact CE1-CD2 3.33Å; F14-F52 AromaticContact CE1-CE2 3.8Å; F14-F52 HydrophobicContact CE1-CE2 3.8Å; F14-F52 AromaticContact CE1-CG 3.88Å; F14-F52 HydrophobicContact CE1-CG 3.88Å; F14-F52 HydrophobicContact CZ-CB 4.49Å; F14-F52 HydrophobicContact CZ-CD2 4.23Å; F14-F52 HydrophobicContact CZ-CG 4.41Å; I17-F52 HydrophobicContact CD1-CE2 4.06Å; I17-F52 HydrophobicContact CG1-CD2 4.22Å; I17-F52 HydrophobicContact CG1-CE2 3.47Å; I17-F52 VanDerWaalsContact CG1-CE2 3.47Å; I17-F52 HydrophobicContact CG1-CZ 4.32Å; A48-F52 HydrophobicContact CB-CD2 4.39Å; A48-F52 WeakPolarHBondContact O-CA 3.38Å; A48-F52 WeakPolarHBondContact O-CB 3.41Å; A48-F52 WeakPolarHBondContact O-CD2 3.38Å; A48-F52 PolarHBondContact O-N 3.03Å; L49-F52 PolarHBondContact O-N 2.9Å; F52-K54 PolarHBondContact O-N 3.2Å; F52-R55 PolarHBondContact O-N 2.81Å; F52-L57 HydrophobicContact CB-CD1 4.46Å; F52-L57 HydrophobicContact CB-CD2 3.48Å; F52-L57 VanDerWaalsContact CB-CD2 3.48Å; F52-L57 HydrophobicContact CB-CG 3.8Å; F52-L57 HydrophobicContact CD1-CD2 3.19Å; F52-L57 HydrophobicContact CD1-CG 4.04Å; F52-L57 HydrophobicContact CD2-CD2 4.2Å; F52-L57 HydrophobicContact CE1-CD2 3.83Å; F52-L57 HydrophobicContact CG-CD2 3.39Å; F52-L57 HydrophobicContact CG-CG 4.21Å
53N62.2Low60.2Low94 Ų9479.5 Ų79.550%0.50344%0.435SS..SBendtrans-71.7121.8176.4-168.42.7000109.4L49 R55L49-N53 HydrophobicContact CD1-CB 3.95Å; L49-N53 HydrophobicContact CG-CB 4.11Å; L49-N53 VanDerWaalsContact O-CA 3.32Å; L49-N53 WeakPolarHBondContact O-CA 3.48Å; L49-N53 WeakPolarHBondContact O-CB 3.32Å; L49-N53 PolarHBondContact O-N 2.6Å; N53-R55 PolarHBondContact O-N 2.79Å
54K52.3Low58.5Low144 Ų14480.5 Ų80.563%0.62643%0.43SS*.SBendtrans59.4-5.2-172.9-54.5-170.6177-166.10116.4F52 N56F52-K54 PolarHBondContact O-N 3.2Å; K54-N56 PolarHBondContact O-N 3.42Å
55R47Very low57.7Low165 Ų16582.4 Ų82.462%0.62344%0.438SS*.SBendtrans-69.3128.4155.5-85.4170.9161.8144.1-1.8106A51 F52 N53 L57A51-R55 WeakPolarHBondContact O-CD 3.31Å; F52-R55 PolarHBondContact O-N 2.81Å; N53-R55 PolarHBondContact O-N 2.79Å; R55-L57 PolarHBondContact O-N 2.91Å
56N44.8Very low57.6Low121 Ų12183.4 Ų83.465%0.64744%0.436SS*.  trans-43.7117.7156.2-91.6-13.1000105.4K54 L58K54-N56 PolarHBondContact O-N 3.42Å; N56-L58 CarbonylContact O-C 3.45Å; N56-L58 VanDerWaalsContact O-C 3.27Å; N56-L58 PolarHBondContact O-N 3.26Å
57L42.5Very low57.8Low66 Ų6682.5 Ų82.535%0.34643%0.427SS..SBendtrans-71.436.9-169.9-116.7168.3000111.9L13 F14 F52 R55L13-L57 HydrophobicContact CD2-CD2 3.72Å; L13-L57 VanDerWaalsContact CD2-O 3.23Å; L13-L57 WeakPolarHBondContact CD2-O 3.44Å; F14-L57 HydrophobicContact CE1-CD2 3.97Å; F14-L57 HydrophobicContact CE2-CD2 3.8Å; F14-L57 HydrophobicContact CZ-CD1 3.96Å; F14-L57 HydrophobicContact CZ-CD2 3.3Å; F14-L57 HydrophobicContact CZ-CG 4.28Å; F52-L57 HydrophobicContact CB-CD1 4.46Å; F52-L57 HydrophobicContact CB-CD2 3.48Å; F52-L57 VanDerWaalsContact CB-CD2 3.48Å; F52-L57 HydrophobicContact CB-CG 3.8Å; F52-L57 HydrophobicContact CD1-CD2 3.19Å; F52-L57 HydrophobicContact CD1-CG 4.04Å; F52-L57 HydrophobicContact CD2-CD2 4.2Å; F52-L57 HydrophobicContact CE1-CD2 3.83Å; F52-L57 HydrophobicContact CG-CD2 3.39Å; F52-L57 HydrophobicContact CG-CG 4.21Å; R55-L57 PolarHBondContact O-N 2.91Å
58L37.6Very low58.4Low33 Ų3377.3 Ų77.317%0.17340%0.403CS..  trans-167.789.4-175.5-87.4147.2000103.1F9 N56 K60 F62F9-L58 HydrophobicContact CE2-CD2 4.33Å; F9-L58 HydrophobicContact CZ-CD1 4.23Å; F9-L58 HydrophobicContact CZ-CD2 3.75Å; F9-L58 HydrophobicContact CZ-CG 4.03Å; N56-L58 CarbonylContact O-C 3.45Å; N56-L58 VanDerWaalsContact O-C 3.27Å; N56-L58 PolarHBondContact O-N 3.26Å; L58-K60 HydrophobicContact CB-CB 4.23Å; L58-K60 WeakPolarHBondContact CB-O 3.22Å; L58-K60 HydrophobicContact CD2-CB 3.56Å; L58-K60 HydrophobicContact CD2-CD 3.69Å; L58-K60 HydrophobicContact CD2-CG 3.88Å; L58-K60 CarbonylContact O-C 3.54Å; L58-K60 PolarHBondContact O-N 3.07Å; L58-F62 HydrophobicContact CB-CD2 4.29Å; L58-F62 HydrophobicContact CB-CE2 4Å; L58-F62 HydrophobicContact CD1-CD2 4.19Å; L58-F62 HydrophobicContact CD1-CE1 4.25Å; L58-F62 HydrophobicContact CD1-CE2 3.21Å; L58-F62 HydrophobicContact CD1-CZ 3.25Å; L58-F62 HydrophobicContact CG-CE2 4.21Å
59G33.3Very low58.8Low87 Ų8780.2 Ų80.290%0.89742%0.415SS*.SBendtrans-56.13.8148.600000112.5
60K33.8Very low59.5Low148 Ų14875.4 Ų75.464%0.64339%0.39SS*.SBendtrans-85.8105158.8-57.5-175.6175.7179.70108.8L58 F62L58-K60 HydrophobicContact CB-CB 4.23Å; L58-K60 WeakPolarHBondContact CB-O 3.22Å; L58-K60 HydrophobicContact CD2-CB 3.56Å; L58-K60 HydrophobicContact CD2-CD 3.69Å; L58-K60 HydrophobicContact CD2-CG 3.88Å; L58-K60 CarbonylContact O-C 3.54Å; L58-K60 PolarHBondContact O-N 3.07Å; K60-F62 PolarHBondContact O-N 3.23Å
61H32.6Very low60.5Low94 Ų9470.7 Ų70.744%0.43536%0.361SS..  trans2.585.7152.9-67.7-109.4000117.7S63 E64H61-S63 PolarHBondContact ND1-OG 3.42Å; H61-S63 PolarHBondContact O-N 2.95Å; H61-E64 HydrophobicContact CB-CB 3.51Å; H61-E64 HydrophobicContact CB-CG 3.69Å; H61-E64 IonicContact CD2-OE1 2.85Å; H61-E64 IonicContact CD2-OE2 3.34Å; H61-E64 IonicContact CE1-OE1 3.76Å; H61-E64 PolarHBondContact CE1-OE1 3.27Å; H61-E64 VanDerWaalsContact CE1-OE1 3.23Å; H61-E64 VanDerWaalsContact CG-CD 3.46Å; H61-E64 IonicContact CG-OE1 3.66Å; H61-E64 IonicContact CG-OE2 2.78Å; H61-E64 VanDerWaalsContact ND1-CD 3.33Å; H61-E64 VanDerWaalsContact ND1-CG 3.27Å; H61-E64 WeakPolarHBondContact ND1-CG 3.26Å; H61-E64 IonicContact ND1-OE1 3.98Å; H61-E64 PolarHBondContact ND1-OE1 3.4Å; H61-E64 IonicContact ND1-OE2 3.05Å; H61-E64 IonicContact NE2-OE1 3.9Å; H61-E64 PolarHBondContact O-N 3.14Å
62F39.4Very low61.6Low78 Ų7872.7 Ų72.734%0.34237%0.369SS..THydrogen-bonded Turntrans-71.69.8142.7-73.3-67000111.1L58 K60L58-F62 HydrophobicContact CB-CD2 4.29Å; L58-F62 HydrophobicContact CB-CE2 4Å; L58-F62 HydrophobicContact CD1-CD2 4.19Å; L58-F62 HydrophobicContact CD1-CE1 4.25Å; L58-F62 HydrophobicContact CD1-CE2 3.21Å; L58-F62 HydrophobicContact CD1-CZ 3.25Å; L58-F62 HydrophobicContact CG-CE2 4.21Å; K60-F62 PolarHBondContact O-N 3.23Å
63S44.1Very low62.6Low87 Ų8771.2 Ų71.261%0.60836%0.363SS*.THydrogen-bonded Turntrans-10310.7167.852.30000113.7H61H61-S63 PolarHBondContact ND1-OG 3.42Å; H61-S63 PolarHBondContact O-N 2.95Å
64E54Low64Low106 Ų10666.7 Ų66.750%0.49534%0.339SS..SBendtrans-118.33.6171.4-89.4172.9-178.800112.9H61 F66H61-E64 HydrophobicContact CB-CB 3.51Å; H61-E64 HydrophobicContact CB-CG 3.69Å; H61-E64 IonicContact CD2-OE1 2.85Å; H61-E64 IonicContact CD2-OE2 3.34Å; H61-E64 IonicContact CE1-OE1 3.76Å; H61-E64 PolarHBondContact CE1-OE1 3.27Å; H61-E64 VanDerWaalsContact CE1-OE1 3.23Å; H61-E64 VanDerWaalsContact CG-CD 3.46Å; H61-E64 IonicContact CG-OE1 3.66Å; H61-E64 IonicContact CG-OE2 2.78Å; H61-E64 VanDerWaalsContact ND1-CD 3.33Å; H61-E64 VanDerWaalsContact ND1-CG 3.27Å; H61-E64 WeakPolarHBondContact ND1-CG 3.26Å; H61-E64 IonicContact ND1-OE1 3.98Å; H61-E64 PolarHBondContact ND1-OE1 3.4Å; H61-E64 IonicContact ND1-OE2 3.05Å; H61-E64 IonicContact NE2-OE1 3.9Å; H61-E64 PolarHBondContact O-N 3.14Å; E64-F66 WeakPolarHBondContact O-CD2 3.44Å; E64-F66 WeakPolarHBondContact O-CE2 3.15Å
65H69.3Low65.7Low45 Ų4563.5 Ų63.521%0.20833%0.333CS..SBendtrans-76.2137.6163.6-68-39000110H67 S93 F114 V115H65-H67 PolarHBondContact O-CD2 3.19Å; H65-H67 VanDerWaalsContact O-CD2 3.31Å; H65-H67 PolarHBondContact O-N 3.14Å; H65-S93 PolarHBondContact CD2-OG 3.49Å; H65-F114 CarbonylContact C-O 3.57Å; H65-F114 VanDerWaalsContact CA-O 3.23Å; H65-F114 WeakPolarHBondContact CA-O 3.17Å; H65-F114 WeakPolarHBondContact CB-O 3.35Å; H65-F114 PolarHBondContact ND1-O 3.4Å; H65-V115 WeakPolarHBondContact ND1-CA 3.22Å
66F81.3Confident67.7Low58 Ų5859.9 Ų59.925%0.25432%0.323SS..EExtended strand (participates in β ladder)trans-95.9102.2-174.1-70.1-82000107.2E64 F114 T116 R117 A120 W141E64-F66 WeakPolarHBondContact O-CD2 3.44Å; E64-F66 WeakPolarHBondContact O-CE2 3.15Å; F66-F114 PolarHBondContact N-O 3.47Å; F66-F114 PolarHBondContact O-N 3.11Å; F66-T116 WeakPolarHBondContact CD2-O 3.24Å; F66-R117 HydrophobicContact CD1-CB 3.71Å; F66-R117 HydrophobicContact CD1-CG 3.62Å; F66-R117 HydrophobicContact CD2-CB 3.83Å; F66-R117 HydrophobicContact CE1-CB 3.51Å; F66-R117 HydrophobicContact CE1-CG 3.51Å; F66-R117 HydrophobicContact CE2-CB 3.61Å; F66-R117 VanDerWaalsContact CE2-N 3.28Å; F66-R117 HydrophobicContact CG-CB 3.87Å; F66-R117 HydrophobicContact CG-CG 4.19Å; F66-R117 HydrophobicContact CZ-CB 3.46Å; F66-R117 VanDerWaalsContact CZ-CB 3.46Å; F66-R117 HydrophobicContact CZ-CG 4Å; F66-A120 HydrophobicContact CB-CB 3.47Å; F66-A120 VanDerWaalsContact CB-CB 3.47Å; F66-W141 HydrophobicContact CB-CH2 4.19Å; F66-W141 HydrophobicContact CB-CZ3 3.82Å; F66-W141 AromaticContact CD1-CH2 3.94Å; F66-W141 HydrophobicContact CD1-CH2 3.94Å; F66-W141 AromaticContact CD1-CZ3 3.94Å; F66-W141 HydrophobicContact CD1-CZ3 3.94Å; F66-W141 HydrophobicContact CG-CH2 4.44Å; F66-W141 HydrophobicContact CG-CZ3 4.35Å
67H85.5Confident69.9Low43 Ų4354.4 Ų54.420%0.19929%0.294CS..EExtended strand (participates in β ladder)trans-85.9124.3-173.4-57.4-70.2000110.3H65 V112 S113 A142 R144H65-H67 PolarHBondContact O-CD2 3.19Å; H65-H67 VanDerWaalsContact O-CD2 3.31Å; H65-H67 PolarHBondContact O-N 3.14Å; H67-V112 WeakPolarHBondContact CA-O 3.23Å; H67-S113 PolarHBondContact CE1-OG 3.5Å; H67-S113 WeakPolarHBondContact ND1-CB 3.48Å; H67-S113 PolarHBondContact ND1-OG 3.47Å; H67-A142 HydrophobicContact CB-CB 3.6Å; H67-A142 WeakPolarHBondContact O-CB 3.48Å; H67-A142 PolarHBondContact O-N 2.85Å; H67-R144 PolarHBondContact NE2-NH2 2.93Å
68V91.5Very high72.2Confident0 Ų054.1 Ų54.10%029%0.292CS..EExtended strand (participates in β ladder)trans-99.6129.2173-179.30000108I70 F86 F111 V112 F114 A120 I124 T139 N140V68-I70 HydrophobicContact CB-CD1 4.49Å; V68-I70 HydrophobicContact CG1-CD1 4.27Å; V68-I70 HydrophobicContact CG1-CG1 4.33Å; V68-I70 VanDerWaalsContact O-CD1 3.28Å; V68-I70 WeakPolarHBondContact O-CD1 3.28Å; V68-F86 HydrophobicContact CG1-CE1 4.42Å; V68-F111 VanDerWaalsContact O-CA 3.3Å; V68-F111 WeakPolarHBondContact O-CA 3.43Å; V68-V112 PolarHBondContact N-O 2.98Å; V68-V112 PolarHBondContact O-N 2.82Å; V68-F114 HydrophobicContact CG2-CD2 3.86Å; V68-F114 HydrophobicContact CG2-CE2 3.87Å; V68-A120 HydrophobicContact CG2-CB 3.81Å; V68-I124 HydrophobicContact CB-CG1 4.38Å; V68-I124 HydrophobicContact CG1-CD1 4.48Å; V68-I124 HydrophobicContact CG1-CG1 3.72Å; V68-I124 HydrophobicContact CG2-CD1 4.04Å; V68-I124 HydrophobicContact CG2-CG1 3.85Å; V68-T139 HydrophobicContact CG1-CG2 4.43Å; V68-N140 CarbonylContact C-O 3.51Å; V68-N140 WeakPolarHBondContact CA-O 3.06Å
69F91.4Very high74.5Confident64 Ų6456 Ų5628%0.28130%0.302SS..EExtended strand (participates in β ladder)trans-83.9135.4167.1167.2-92.8000109.1Y109 F111 T139 N140 A142F69-Y109 HydrophobicContact CD2-CD2 4.44Å; F69-Y109 AromaticContact CE2-CD2 3.8Å; F69-Y109 HydrophobicContact CE2-CD2 3.8Å; F69-Y109 HydrophobicContact CE2-CG 4.06Å; F69-F111 HydrophobicContact CB-CD1 4.44Å; F69-F111 HydrophobicContact CB-CE1 4.29Å; F69-F111 HydrophobicContact CD2-CD1 4.5Å; F69-F111 AromaticContact CD2-CE1 3.84Å; F69-F111 HydrophobicContact CD2-CE1 3.84Å; F69-F111 HydrophobicContact CD2-CZ 4.18Å; F69-T139 VanDerWaalsContact O-CA 3.31Å; F69-T139 WeakPolarHBondContact O-CA 3.2Å; F69-N140 PolarHBondContact N-O 3.07Å; F69-N140 PolarHBondContact O-N 3.02Å; F69-A142 HydrophobicContact CB-CB 4.19Å
70I94.3Very high77.3Confident0 Ų058.1 Ų58.10%029%0.287CS..EExtended strand (participates in β ladder)trans-123.8111.8176.7-51.187.1000108.4V68 L73 L82 F86 Y109 G110 V112 I137 R138 T139V68-I70 HydrophobicContact CB-CD1 4.49Å; V68-I70 HydrophobicContact CG1-CD1 4.27Å; V68-I70 HydrophobicContact CG1-CG1 4.33Å; V68-I70 VanDerWaalsContact O-CD1 3.28Å; V68-I70 WeakPolarHBondContact O-CD1 3.28Å; I70-L73 HydrophobicContact CB-CD2 4.42Å; I70-L73 HydrophobicContact CG2-CD2 3.52Å; I70-L73 HydrophobicContact CG2-CG 4.18Å; I70-L82 HydrophobicContact CB-CD1 4.41Å; I70-L82 HydrophobicContact CD1-CD2 4.36Å; I70-L82 HydrophobicContact CG1-CD1 4.28Å; I70-L82 HydrophobicContact CG2-CD1 4.17Å; I70-F86 HydrophobicContact CD1-CZ 4.48Å; I70-F86 HydrophobicContact CG1-CE1 4.16Å; I70-F86 HydrophobicContact CG1-CE2 4.05Å; I70-F86 HydrophobicContact CG1-CZ 3.59Å; I70-F86 HydrophobicContact CG2-CE2 4.48Å; I70-F86 HydrophobicContact CG2-CZ 4.3Å; I70-Y109 CarbonylContact O-C 3.41Å; I70-Y109 WeakPolarHBondContact O-CA 3.06Å; I70-Y109 WeakPolarHBondContact O-CB 3.46Å; I70-G110 PolarHBondContact N-O 2.86Å; I70-G110 PolarHBondContact O-N 3.39Å; I70-V112 HydrophobicContact CD1-CB 3.86Å; I70-V112 HydrophobicContact CD1-CG2 3.55Å; I70-V112 HydrophobicContact CG1-CG2 4.48Å; I70-I137 HydrophobicContact CG2-CB 4.06Å; I70-I137 HydrophobicContact CG2-CD1 3.96Å; I70-I137 HydrophobicContact CG2-CG1 4.48Å; I70-I137 HydrophobicContact CG2-CG2 4.41Å; I70-R138 CarbonylContact C-O 3.6Å; I70-R138 WeakPolarHBondContact CA-O 3.32Å; I70-T139 HydrophobicContact CG1-CG2 4.4Å
71G92.7Very high80.1Confident1 Ų153.7 Ų53.71%0.0127%0.273CS..EExtended strand (participates in β ladder)trans-103.8169.1178.900000113.1L73 I137 R138G71-L73 PolarHBondContact O-N 3.26Å; G71-I137 WeakPolarHBondContact O-CA 3.27Å; G71-R138 PolarHBondContact N-O 2.95Å; G71-R138 PolarHBondContact O-N 2.81Å; G71-R138 VanDerWaalsContact O-N 3.08Å
72D92.9Very high83Confident61 Ų6149.2 Ų49.233%0.32625%0.252SS..SBendtrans57.829.2178.5-51.7-33.1000114.8S74 G108 R135 R138D72-S74 PolarHBondContact O-N 2.93Å; D72-G108 PolarHBondContact N-O 3.47Å; D72-R135 WeakPolarHBondContact O-CB 3.49Å; D72-R138 VanDerWaalsContact CG-NH2 3.34Å; D72-R138 IonicContact OD1-CZ 3.85Å; D72-R138 IonicContact OD1-NE 3.05Å; D72-R138 IonicContact OD1-NH2 3.16Å; D72-R138 PolarHBondContact OD1-NH2 3.09Å; D72-R138 WeakPolarHBondContact OD2-CD 3.47Å; D72-R138 IonicContact OD2-CZ 3.89Å; D72-R138 IonicContact OD2-NE 2.61Å; D72-R138 PolarHBondContact OD2-NE 3.21Å; D72-R138 IonicContact OD2-NH2 3.36Å; D72-R138 PolarHBondContact OD2-NH2 2.83Å
73L93Very high85.6Confident0 Ų050 Ų500%025%0.252CS..  trans-59.1138175.4-64.3-178.9000110.8I70 G71 I77 L82 V97 G108 L132 I137I70-L73 HydrophobicContact CB-CD2 4.42Å; I70-L73 HydrophobicContact CG2-CD2 3.52Å; I70-L73 HydrophobicContact CG2-CG 4.18Å; G71-L73 PolarHBondContact O-N 3.26Å; L73-I77 HydrophobicContact CB-CB 4.44Å; L73-I77 HydrophobicContact CD1-CG2 4.48Å; L73-I77 HydrophobicContact CD2-CG2 4.22Å; L73-L82 HydrophobicContact CD1-CD2 4.41Å; L73-L82 HydrophobicContact CD2-CD1 4.16Å; L73-V97 HydrophobicContact CD1-CG1 4.4Å; L73-V97 HydrophobicContact CD1-CG2 4.21Å; L73-G108 PolarHBondContact N-O 3.45Å; L73-L132 HydrophobicContact CD2-CD2 4.28Å; L73-I137 HydrophobicContact CD2-CG2 3.86Å
74S91Very high88Confident0 Ų050 Ų500%025%0.245CC..  trans-65.6144.6170-50.10000109.7D72 E76 I77 L132 R134 R135D72-S74 PolarHBondContact O-N 2.93Å; S74-E76 VanDerWaalsContact CB-CD 3.44Å; S74-E76 WeakPolarHBondContact CB-OE2 3.26Å; S74-E76 PolarHBondContact O-N 2.89Å; S74-E76 VanDerWaalsContact O-N 3.09Å; S74-I77 WeakPolarHBondContact O-CB 3.4Å; S74-I77 WeakPolarHBondContact O-CG1 3.43Å; S74-I77 PolarHBondContact O-N 3.5Å; S74-L132 PolarHBondContact OG-O 3.49Å; S74-R134 PolarHBondContact OG-N 2.72Å; S74-R135 PolarHBondContact OG-N 3.01Å
75P87.7Confident89.9Confident77 Ų7746 Ų4650%0.523%0.231SC..THydrogen-bonded Turntrans-56.3-27.6-176.6-26.834.8000115.2I77P75-I77 VanDerWaalsContact C-N 3.34Å
76E89.6Confident91.2Very high89 Ų8943.9 Ų43.942%0.41622%0.221SC..THydrogen-bonded Turntrans-74.1-17.4176.560.9-95.9-131.700114.3S74 D78 R134S74-E76 VanDerWaalsContact CB-CD 3.44Å; S74-E76 WeakPolarHBondContact CB-OE2 3.26Å; S74-E76 PolarHBondContact O-N 2.89Å; S74-E76 VanDerWaalsContact O-N 3.09Å; E76-D78 PolarHBondContact O-N 3.07Å; E76-R134 VanDerWaalsContact OE1-CD 3.26Å; E76-R134 WeakPolarHBondContact OE1-CD 3.3Å; E76-R134 VanDerWaalsContact OE1-CG 3.28Å; E76-R134 WeakPolarHBondContact OE1-CG 3.48Å; E76-R134 IonicContact OE1-NE 2.93Å; E76-R134 PolarHBondContact OE1-NE 3.37Å
77I91.5Very high91.8Very high6 Ų643.6 Ų43.63%0.03123%0.229CC..  trans-69.3128.1-178.8-58-58.3000109.8L73 S74 P75 T81 L82 R99 L132L73-I77 HydrophobicContact CB-CB 4.44Å; L73-I77 HydrophobicContact CD1-CG2 4.48Å; L73-I77 HydrophobicContact CD2-CG2 4.22Å; S74-I77 WeakPolarHBondContact O-CB 3.4Å; S74-I77 WeakPolarHBondContact O-CG1 3.43Å; S74-I77 PolarHBondContact O-N 3.5Å; P75-I77 VanDerWaalsContact C-N 3.34Å; I77-T81 HydrophobicContact CD1-CG2 3.85Å; I77-L82 HydrophobicContact CG2-CB 4.36Å; I77-R99 PolarHBondContact O-NH2 3.22Å; I77-L132 HydrophobicContact CD1-CG 3.98Å; I77-L132 HydrophobicContact CG2-CD2 4.39Å
78D89.2Confident92.3Very high60 Ų6046.6 Ų46.632%0.32125%0.253SS..  trans-115.5176.8177.570.4-8.8000111.9E76 K80 T81 L82E76-D78 PolarHBondContact O-N 3.07Å; D78-K80 PolarHBondContact O-N 3.18Å; D78-K80 PolarHBondContact OD1-N 2.74Å; D78-T81 PolarHBondContact O-N 3.27Å; D78-T81 WeakPolarHBondContact OD1-CB 3.43Å; D78-T81 PolarHBondContact OD1-N 3.06Å; D78-T81 PolarHBondContact OD1-OG1 2.79Å; D78-L82 WeakPolarHBondContact O-CB 3.13Å; D78-L82 PolarHBondContact O-N 3.21Å
79N87.6Confident92.4Very high71 Ų7148.4 Ų48.438%0.3826%0.26SS..Hα-helixtrans-58.2-36.8-179.7-63.1-40.8000111.8R83 V95 K96 V97N79-R83 WeakPolarHBondContact O-CB 3.37Å; N79-R83 PolarHBondContact O-N 2.85Å; N79-V95 HydrophobicContact CB-CG1 4.21Å; N79-K96 WeakPolarHBondContact OD1-CA 3.4Å; N79-V97 PolarHBondContact OD1-N 3.43Å
80K91.3Very high92.3Very high133 Ų13346.3 Ų46.358%0.57826%0.256SS*.Hα-helixtrans-67.8-52.3-179-174.9-175.7179.8-61.40111.1D78 L82 R83 D84D78-K80 PolarHBondContact O-N 3.18Å; D78-K80 PolarHBondContact OD1-N 2.74Å; K80-L82 PolarHBondContact O-N 2.77Å; K80-R83 PolarHBondContact O-N 3.18Å; K80-R83 VanDerWaalsContact O-N 3.12Å; K80-D84 IonicContact NZ-OD2 2.69Å; K80-D84 PolarHBondContact NZ-OD2 3.14Å; K80-D84 VanDerWaalsContact O-CG 3.26Å; K80-D84 PolarHBondContact O-N 2.94Å
81T92.4Very high92.1Very high55 Ų5553 Ų5334%0.33729%0.288SS..Hα-helixtrans-59.6-39.5179.1-52.60000111I77 D78 A85 L132I77-T81 HydrophobicContact CD1-CG2 3.85Å; D78-T81 PolarHBondContact O-N 3.27Å; D78-T81 WeakPolarHBondContact OD1-CB 3.43Å; D78-T81 PolarHBondContact OD1-N 3.06Å; D78-T81 PolarHBondContact OD1-OG1 2.79Å; T81-A85 WeakPolarHBondContact O-CB 3.22Å; T81-A85 PolarHBondContact O-N 3Å; T81-L132 HydrophobicContact CG2-CD1 4.48Å
82L92.6Very high91.9Very high0 Ų053.5 Ų53.50%029%0.29CS..Hα-helixtrans-67-41.2176.6-167.464.1000111.9I70 L73 I77 D78 K80 F86 V95 V97 V112 L132I70-L82 HydrophobicContact CB-CD1 4.41Å; I70-L82 HydrophobicContact CD1-CD2 4.36Å; I70-L82 HydrophobicContact CG1-CD1 4.28Å; I70-L82 HydrophobicContact CG2-CD1 4.17Å; L73-L82 HydrophobicContact CD1-CD2 4.41Å; L73-L82 HydrophobicContact CD2-CD1 4.16Å; I77-L82 HydrophobicContact CG2-CB 4.36Å; D78-L82 WeakPolarHBondContact O-CB 3.13Å; D78-L82 PolarHBondContact O-N 3.21Å; K80-L82 PolarHBondContact O-N 2.77Å; L82-F86 HydrophobicContact CD1-CD2 3.86Å; L82-F86 HydrophobicContact CD1-CE2 3.59Å; L82-F86 HydrophobicContact CG-CD2 4.38Å; L82-F86 VanDerWaalsContact O-CD2 3.27Å; L82-F86 WeakPolarHBondContact O-CD2 3.41Å; L82-F86 PolarHBondContact O-N 3.01Å; L82-V95 HydrophobicContact CB-CG2 3.88Å; L82-V95 HydrophobicContact CD2-CG2 3.77Å; L82-V95 HydrophobicContact CG-CG2 3.9Å; L82-V97 HydrophobicContact CB-CG2 4.5Å; L82-V97 HydrophobicContact CD2-CG2 3.96Å; L82-V112 HydrophobicContact CD1-CG2 4.48Å; L82-V112 HydrophobicContact CD2-CG2 3.96Å; L82-V112 HydrophobicContact CG-CG2 3.8Å; L82-L132 HydrophobicContact CD1-CD2 4Å
83R94Very high91.4Very high94 Ų9451.2 Ų51.236%0.35528%0.279SS..Hα-helixtrans-62.7-48.3173.6-179.9174.1-88-88.32.5111.6N79 K80 A85 F86 A87 I92 S93 V95N79-R83 WeakPolarHBondContact O-CB 3.37Å; N79-R83 PolarHBondContact O-N 2.85Å; K80-R83 PolarHBondContact O-N 3.18Å; K80-R83 VanDerWaalsContact O-N 3.12Å; R83-A85 VanDerWaalsContact C-N 3.28Å; R83-A85 PolarHBondContact O-N 2.78Å; R83-F86 PolarHBondContact O-N 2.88Å; R83-A87 VanDerWaalsContact O-CB 3.27Å; R83-A87 WeakPolarHBondContact O-CB 3.5Å; R83-A87 PolarHBondContact O-N 3.38Å; R83-I92 HydrophobicContact CG-CD1 4.14Å; R83-I92 PolarHBondContact NH1-O 3.36Å; R83-I92 PolarHBondContact NH2-O 2.97Å; R83-I92 VanDerWaalsContact NH2-O 3.1Å; R83-S93 PolarHBondContact NH2-O 3.45Å; R83-V95 HydrophobicContact CB-CG1 4.1Å; R83-V95 HydrophobicContact CB-CG2 4.5Å
84D95Very high90.9Very high86 Ų8655.1 Ų55.146%0.4630%0.3SS..Hα-helixtrans-60.6-38.7-178-66.9-15.9000111.4K80K80-D84 IonicContact NZ-OD2 2.69Å; K80-D84 PolarHBondContact NZ-OD2 3.14Å; K80-D84 VanDerWaalsContact O-CG 3.26Å; K80-D84 PolarHBondContact O-N 2.94Å
85A94.6Very high90.7Very high24 Ų2456 Ų5620%0.19831%0.305CS..Hα-helixtrans-70.6-31.8178.100000113.8T81 R83 M127 L132T81-A85 WeakPolarHBondContact O-CB 3.22Å; T81-A85 PolarHBondContact O-N 3Å; R83-A85 VanDerWaalsContact C-N 3.28Å; R83-A85 PolarHBondContact O-N 2.78Å; A85-M127 HydrophobicContact CB-CE 4.13Å; A85-L132 HydrophobicContact CB-CD1 3.66Å; A85-L132 HydrophobicContact CB-CD2 4.3Å
86F95.3Very high90.7Very high0 Ų058 Ų580%031%0.306CS..Hα-helixtrans-97.9-16.3-176.4-79.7-101.9000113.7V68 I70 L82 R83 P88 Y89 I92 V112 F114 A123 M127 I137 T139V68-F86 HydrophobicContact CG1-CE1 4.42Å; I70-F86 HydrophobicContact CD1-CZ 4.48Å; I70-F86 HydrophobicContact CG1-CE1 4.16Å; I70-F86 HydrophobicContact CG1-CE2 4.05Å; I70-F86 HydrophobicContact CG1-CZ 3.59Å; I70-F86 HydrophobicContact CG2-CE2 4.48Å; I70-F86 HydrophobicContact CG2-CZ 4.3Å; L82-F86 HydrophobicContact CD1-CD2 3.86Å; L82-F86 HydrophobicContact CD1-CE2 3.59Å; L82-F86 HydrophobicContact CG-CD2 4.38Å; L82-F86 VanDerWaalsContact O-CD2 3.27Å; L82-F86 WeakPolarHBondContact O-CD2 3.41Å; L82-F86 PolarHBondContact O-N 3.01Å; R83-F86 PolarHBondContact O-N 2.88Å; F86-P88 VanDerWaalsContact C-N 3.32Å; F86-Y89 WeakPolarHBondContact O-CD2 3.5Å; F86-Y89 PolarHBondContact O-N 2.76Å; F86-Y89 VanDerWaalsContact O-N 3.11Å; F86-I92 HydrophobicContact CB-CD1 3.7Å; F86-V112 HydrophobicContact CB-CG1 4.12Å; F86-V112 HydrophobicContact CB-CG2 4.32Å; F86-V112 HydrophobicContact CD1-CG1 4.46Å; F86-V112 HydrophobicContact CD1-CG2 4.39Å; F86-V112 HydrophobicContact CD2-CG2 4.26Å; F86-V112 HydrophobicContact CG-CG1 4.42Å; F86-V112 HydrophobicContact CG-CG2 4.07Å; F86-F114 HydrophobicContact CB-CZ 4.12Å; F86-F114 HydrophobicContact CD1-CE2 4.23Å; F86-F114 HydrophobicContact CD1-CZ 4.07Å; F86-A123 HydrophobicContact CD1-CB 4Å; F86-A123 HydrophobicContact CE1-CB 4.27Å; F86-M127 HydrophobicContact CD1-CG 4.49Å; F86-M127 HydrophobicContact CD2-CE 4.34Å; F86-M127 HydrophobicContact CE1-CB 4.07Å; F86-M127 HydrophobicContact CE1-CG 4.06Å; F86-M127 HydrophobicContact CE2-CE 3.92Å; F86-M127 HydrophobicContact CZ-CB 3.99Å; F86-M127 HydrophobicContact CZ-CE 4.23Å; F86-M127 HydrophobicContact CZ-CG 4.14Å; F86-I137 HydrophobicContact CE2-CD1 3.99Å; F86-I137 HydrophobicContact CZ-CD1 3.91Å; F86-T139 HydrophobicContact CE1-CG2 4.02Å; F86-T139 HydrophobicContact CZ-CG2 3.74Å
87A94.8Very high90.6Very high51 Ų5154.1 Ų54.142%0.42129%0.288SS..G310 helixtrans-56-33.9-179.400000114.7R83 Y89 G90 I92R83-A87 VanDerWaalsContact O-CB 3.27Å; R83-A87 WeakPolarHBondContact O-CB 3.5Å; R83-A87 PolarHBondContact O-N 3.38Å; A87-Y89 PolarHBondContact O-N 2.96Å; A87-G90 PolarHBondContact O-N 3.33Å; A87-I92 HydrophobicContact CB-CD1 4.37Å
88P95.7Very high90.3Very high107 Ų10755.2 Ų55.270%0.69529%0.294SS*.G310 helixtrans-63.7-19.1176.9-25.636.4000115F86F86-P88 VanDerWaalsContact C-N 3.32Å
89Y93.8Very high89.9Confident38 Ų3856.8 Ų56.815%0.14930%0.295CS..G310 helixtrans-85.5-21.9-176.5-61.1-75.3000113.4F86 A87 R122 A123 Q126 M127F86-Y89 WeakPolarHBondContact O-CD2 3.5Å; F86-Y89 PolarHBondContact O-N 2.76Å; F86-Y89 VanDerWaalsContact O-N 3.11Å; A87-Y89 PolarHBondContact O-N 2.96Å; Y89-R122 HydrophobicContact CD1-CB 4.49Å; Y89-R122 PolarHBondContact O-NH2 3.5Å; Y89-A123 HydrophobicContact CD1-CB 4.48Å; Y89-A123 HydrophobicContact CD2-CB 4.17Å; Y89-A123 HydrophobicContact CG-CB 3.88Å; Y89-Q126 HydrophobicContact CD1-CB 4.46Å; Y89-Q126 HydrophobicContact CE1-CB 3.54Å; Y89-Q126 HydrophobicContact CE1-CG 4.17Å; Y89-M127 HydrophobicContact CD2-CG 4.14Å; Y89-M127 HydrophobicContact CE2-CG 3.28Å; Y89-M127 HydrophobicContact CE2-SD 3.61Å; Y89-M127 WeakPolarHBondContact OH-CG 3.34Å; Y89-M127 PolarHBondContact OH-SD 2.78Å
90G90.5Very high89.1Confident20 Ų2055.6 Ų55.621%0.20629%0.289CS..SBendtrans161.7-174.9179.300000113.6A87 I92 D119A87-G90 PolarHBondContact O-N 3.33Å; G90-I92 PolarHBondContact O-N 3.44Å; G90-D119 WeakPolarHBondContact CA-OD2 3.23Å
91E90Very high88.3Confident140 Ų14057 Ų5765%0.65430%0.302SS*.  trans-74.7118.2-177.7-168.9177155.300111F114 V115E91-F114 WeakPolarHBondContact O-CA 3.45Å; E91-V115 HydrophobicContact CB-CB 4.33Å; E91-V115 HydrophobicContact CB-CG2 3.93Å; E91-V115 HydrophobicContact CG-CG2 3.86Å; E91-V115 PolarHBondContact O-N 3.12Å
92I88.6Confident86.8Confident12 Ų1263.2 Ų63.26%0.06233%0.327CS..EExtended strand (participates in β ladder)trans-92.8115.2179.1-61.6171.3000109.7R83 F86 A87 G90 D94 V95 V112 S113 F114R83-I92 HydrophobicContact CG-CD1 4.14Å; R83-I92 PolarHBondContact NH1-O 3.36Å; R83-I92 PolarHBondContact NH2-O 2.97Å; R83-I92 VanDerWaalsContact NH2-O 3.1Å; F86-I92 HydrophobicContact CB-CD1 3.7Å; A87-I92 HydrophobicContact CB-CD1 4.37Å; G90-I92 PolarHBondContact O-N 3.44Å; I92-D94 WeakPolarHBondContact CG2-O 3.48Å; I92-V95 HydrophobicContact CG2-CB 4.48Å; I92-V112 HydrophobicContact CD1-CG1 3.94Å; I92-V112 HydrophobicContact CG1-CG1 3.89Å; I92-V112 HydrophobicContact CG2-CG1 3.92Å; I92-S113 CarbonylContact C-O 3.41Å; I92-S113 WeakPolarHBondContact CA-O 3.27Å; I92-F114 HydrophobicContact CG1-CD1 4.21Å; I92-F114 HydrophobicContact CG1-CE1 3.79Å; I92-F114 HydrophobicContact CG1-CZ 4.24Å
93S82Confident86.3Confident13 Ų1367.1 Ų67.19%0.09135%0.351CS..EExtended strand (participates in β ladder)trans-73.8-51.5171.4520000111H65 R83 S113H65-S93 PolarHBondContact CD2-OG 3.49Å; R83-S93 PolarHBondContact NH2-O 3.45Å; S93-S113 PolarHBondContact N-O 3.02Å; S93-S113 VanDerWaalsContact OG-CB 3.3Å; S93-S113 WeakPolarHBondContact OG-CB 3.41Å; S93-S113 PolarHBondContact OG-O 2.83Å; S93-S113 VanDerWaalsContact OG-O 3.12Å
94D82.7Confident85.4Confident82 Ų8268.4 Ų68.444%0.43936%0.364SS..EExtended strand (participates in β ladder)trans-138151.3-176.8-170.129.1000113.1I92 V112 S113I92-D94 WeakPolarHBondContact CG2-O 3.48Å; D94-V112 CarbonylContact O-C 3.58Å; D94-V112 WeakPolarHBondContact O-CA 3Å; D94-S113 PolarHBondContact O-N 2.85Å
95V87Confident84.6Confident19 Ų1971.5 Ų71.512%0.11537%0.373CS..EExtended strand (participates in β ladder)trans-142.2132.9176.6640000110N79 L82 R83 I92 F111 V112N79-V95 HydrophobicContact CB-CG1 4.21Å; L82-V95 HydrophobicContact CB-CG2 3.88Å; L82-V95 HydrophobicContact CD2-CG2 3.77Å; L82-V95 HydrophobicContact CG-CG2 3.9Å; R83-V95 HydrophobicContact CB-CG1 4.1Å; R83-V95 HydrophobicContact CB-CG2 4.5Å; I92-V95 HydrophobicContact CG2-CB 4.48Å; V95-F111 CarbonylContact C-O 3.56Å; V95-F111 WeakPolarHBondContact CA-O 3.3Å; V95-V112 HydrophobicContact CG2-CG2 3.99Å
96K86Confident84Confident118 Ų11871.5 Ų71.551%0.51337%0.372SS..EExtended strand (participates in β ladder)trans-149.9116.7-178.8-167.1177.6-177.51690112.9N79 I98 G110 F111N79-K96 WeakPolarHBondContact OD1-CA 3.4Å; K96-I98 HydrophobicContact CD-CD1 3.96Å; K96-I98 HydrophobicContact CG-CD1 4Å; K96-G110 CarbonylContact O-C 3.59Å; K96-G110 WeakPolarHBondContact O-CA 3.48Å; K96-F111 PolarHBondContact N-O 3.16Å; K96-F111 PolarHBondContact O-N 3.45Å
97V88.1Confident83.6Confident8 Ų877 Ų775%0.04840%0.396CS..EExtended strand (participates in β ladder)trans-84.8127.2165.4177.90000108.6L73 N79 L82 R99L73-V97 HydrophobicContact CD1-CG1 4.4Å; L73-V97 HydrophobicContact CD1-CG2 4.21Å; N79-V97 PolarHBondContact OD1-N 3.43Å; L82-V97 HydrophobicContact CB-CG2 4.5Å; L82-V97 HydrophobicContact CD2-CG2 3.96Å; V97-R99 HydrophobicContact CG1-CG 4.48Å
98I85.1Confident83.3Confident29 Ų2975.3 Ų75.315%0.14938%0.384CS..EExtended strand (participates in β ladder)trans-82.7125.3179.3-54.7-53.3000109.6K96 K107 Y109 F111K96-I98 HydrophobicContact CD-CD1 3.96Å; K96-I98 HydrophobicContact CG-CD1 4Å; I98-K107 HydrophobicContact CG2-CB 4.42Å; I98-K107 HydrophobicContact CG2-CD 3.91Å; I98-K107 HydrophobicContact CG2-CG 4.28Å; I98-K107 PolarHBondContact O-N 3.25Å; I98-Y109 HydrophobicContact CB-CD2 4.21Å; I98-Y109 HydrophobicContact CB-CE1 4.14Å; I98-Y109 HydrophobicContact CB-CE2 3.81Å; I98-Y109 HydrophobicContact CG1-CD2 3.85Å; I98-Y109 HydrophobicContact CG1-CE2 3.41Å; I98-Y109 VanDerWaalsContact CG1-CE2 3.41Å; I98-Y109 HydrophobicContact CG2-CE1 4.18Å; I98-Y109 HydrophobicContact CG2-CE2 4.22Å; I98-Y109 PolarHBondContact N-O 2.79Å; I98-F111 HydrophobicContact CD1-CD2 4.14Å; I98-F111 HydrophobicContact CD1-CE2 4.11Å; I98-F111 HydrophobicContact CG1-CD2 4.14Å; I98-F111 HydrophobicContact CG1-CE2 3.85Å
99R81.3Confident83.1Confident93 Ų9373.3 Ų73.335%0.35136%0.363SS..EExtended strand (participates in β ladder)trans-118.5152.5176.5-61179.5-179.7-83.9-7.5109.8I77 V97 K105I77-R99 PolarHBondContact O-NH2 3.22Å; V97-R99 HydrophobicContact CG1-CG 4.48Å; R99-K105 CarbonylContact C-O 3.59Å; R99-K105 VanDerWaalsContact CA-O 3.23Å; R99-K105 WeakPolarHBondContact CA-O 3.23Å; R99-K105 WeakPolarHBondContact CB-O 2.98Å
100D71.3Confident82.9Confident46 Ų4671.5 Ų71.525%0.24636%0.356CS..  trans-70.1130.6171.2-178.7-90.9000110.2Q102 T103 L104 K105D100-Q102 VanDerWaalsContact C-N 3.29Å; D100-Q102 PolarHBondContact O-N 2.93Å; D100-Q102 PolarHBondContact OD1-N 2.97Å; D100-Q102 VanDerWaalsContact OD1-N 3.07Å; D100-T103 VanDerWaalsContact CB-OG1 3.32Å; D100-T103 WeakPolarHBondContact CB-OG1 3.44Å; D100-T103 PolarHBondContact OD1-N 3.33Å; D100-T103 PolarHBondContact OD1-OG1 2.68Å; D100-L104 WeakPolarHBondContact O-CA 3.34Å; D100-L104 PolarHBondContact O-N 2.81Å; D100-K105 PolarHBondContact N-O 3.47Å
101L72.8Confident82.9Confident162 Ų16273.6 Ų73.685%0.84836%0.359SS*.THydrogen-bonded Turntrans-71.8-24-171.7-172.561.8000112.9
102Q61.8Low83Confident186 Ų18667 Ų6787%0.86933%0.328SS*.THydrogen-bonded Turntrans-87.5-43.1-179.9-65.2-173.4-23.100111.5D100D100-Q102 VanDerWaalsContact C-N 3.29Å; D100-Q102 PolarHBondContact O-N 2.93Å; D100-Q102 PolarHBondContact OD1-N 2.97Å; D100-Q102 VanDerWaalsContact OD1-N 3.07Å
103T81.1Confident82.9Confident81 Ų8166.6 Ų66.650%0.49733%0.327SS..THydrogen-bonded Turntrans-99.2-11.6-173.763.50000113.9D100 K105D100-T103 VanDerWaalsContact CB-OG1 3.32Å; D100-T103 WeakPolarHBondContact CB-OG1 3.44Å; D100-T103 PolarHBondContact OD1-N 3.33Å; D100-T103 PolarHBondContact OD1-OG1 2.68Å; T103-K105 PolarHBondContact O-N 3.47Å; T103-K105 PolarHBondContact OG1-N 2.93Å
104L76.5Confident83.2Confident121 Ų12166 Ų6663%0.63432%0.322SS*.  trans55.79.7-171.6-60.5176.5000114.8D100D100-L104 WeakPolarHBondContact O-CA 3.34Å; D100-L104 PolarHBondContact O-N 2.81Å
105K77.5Confident83.3Confident151 Ų15164.7 Ų64.766%0.65732%0.317SS*.  trans-73.9143.4176.5-67.8-175.6178.3-178.10110.2R99 D100 T103 K107R99-K105 CarbonylContact C-O 3.59Å; R99-K105 VanDerWaalsContact CA-O 3.23Å; R99-K105 WeakPolarHBondContact CA-O 3.23Å; R99-K105 WeakPolarHBondContact CB-O 2.98Å; D100-K105 PolarHBondContact N-O 3.47Å; T103-K105 PolarHBondContact O-N 3.47Å; T103-K105 PolarHBondContact OG1-N 2.93Å; K105-K107 PolarHBondContact O-N 2.85Å
106S82.2Confident83.1Confident24 Ų2466 Ų6617%0.16833%0.326CS..EExtended strand (participates in β ladder)trans-61.3134.6173.7-1780000110.5G108S106-G108 PolarHBondContact O-N 3.39Å; S106-G108 PolarHBondContact OG-N 3.25Å; S106-G108 VanDerWaalsContact OG-N 3.11Å
107K86Confident83.2Confident115 Ų11566.3 Ų66.350%0.532%0.323SS..EExtended strand (participates in β ladder)trans-78.81.4170-64.8-164.4175.5-178.20112.3I98 K105 Y109I98-K107 HydrophobicContact CG2-CB 4.42Å; I98-K107 HydrophobicContact CG2-CD 3.91Å; I98-K107 HydrophobicContact CG2-CG 4.28Å; I98-K107 PolarHBondContact O-N 3.25Å; K105-K107 PolarHBondContact O-N 2.85Å; K107-Y109 VanDerWaalsContact C-N 3.35Å; K107-Y109 HydrophobicContact CB-CD1 3.75Å; K107-Y109 HydrophobicContact CB-CE1 3.48Å; K107-Y109 VanDerWaalsContact CB-CE1 3.48Å; K107-Y109 HydrophobicContact CD-CE1 4.03Å; K107-Y109 HydrophobicContact CG-CE1 4.38Å
108G89.2Confident83.3Confident16 Ų1671 Ų7117%0.16535%0.345CS..EExtended strand (participates in β ladder)trans78.516.6177.900000114.1D72 L73 S106D72-G108 PolarHBondContact N-O 3.47Å; L73-G108 PolarHBondContact N-O 3.45Å; S106-G108 PolarHBondContact O-N 3.39Å; S106-G108 PolarHBondContact OG-N 3.25Å; S106-G108 VanDerWaalsContact OG-N 3.11Å
109Y91.9Very high83.7Confident66 Ų6670.6 Ų70.626%0.25934%0.343SS..EExtended strand (participates in β ladder)trans-146.3161.1173.872.1-83.7000112.1F69 I70 I98 K107 F111F69-Y109 HydrophobicContact CD2-CD2 4.44Å; F69-Y109 AromaticContact CE2-CD2 3.8Å; F69-Y109 HydrophobicContact CE2-CD2 3.8Å; F69-Y109 HydrophobicContact CE2-CG 4.06Å; I70-Y109 CarbonylContact O-C 3.41Å; I70-Y109 WeakPolarHBondContact O-CA 3.06Å; I70-Y109 WeakPolarHBondContact O-CB 3.46Å; I98-Y109 HydrophobicContact CB-CD2 4.21Å; I98-Y109 HydrophobicContact CB-CE1 4.14Å; I98-Y109 HydrophobicContact CB-CE2 3.81Å; I98-Y109 HydrophobicContact CG1-CD2 3.85Å; I98-Y109 HydrophobicContact CG1-CE2 3.41Å; I98-Y109 VanDerWaalsContact CG1-CE2 3.41Å; I98-Y109 HydrophobicContact CG2-CE1 4.18Å; I98-Y109 HydrophobicContact CG2-CE2 4.22Å; I98-Y109 PolarHBondContact N-O 2.79Å; K107-Y109 VanDerWaalsContact C-N 3.35Å; K107-Y109 HydrophobicContact CB-CD1 3.75Å; K107-Y109 HydrophobicContact CB-CE1 3.48Å; K107-Y109 VanDerWaalsContact CB-CE1 3.48Å; K107-Y109 HydrophobicContact CD-CE1 4.03Å; K107-Y109 HydrophobicContact CG-CE1 4.38Å; Y109-F111 AromaticContact CD2-CE2 3.98Å; Y109-F111 HydrophobicContact CD2-CE2 3.98Å; Y109-F111 HydrophobicContact CD2-CZ 4.18Å; Y109-F111 AromaticContact CE2-CE2 3.78Å; Y109-F111 HydrophobicContact CE2-CE2 3.78Å; Y109-F111 HydrophobicContact CE2-CZ 4.04Å
110G89.3Confident84.2Confident0 Ų066.2 Ų66.20%033%0.326CS..EExtended strand (participates in β ladder)trans-156.5-177.5179.300000112.4I70 K96I70-G110 PolarHBondContact N-O 2.86Å; I70-G110 PolarHBondContact O-N 3.39Å; K96-G110 CarbonylContact O-C 3.59Å; K96-G110 WeakPolarHBondContact O-CA 3.48Å
111F90.9Very high85.2Confident64 Ų6466.8 Ų66.828%0.28133%0.328SS..EExtended strand (participates in β ladder)trans-134.3141.4-179.3-59-84.6000109.9V68 F69 V95 K96 I98 Y109 A142V68-F111 VanDerWaalsContact O-CA 3.3Å; V68-F111 WeakPolarHBondContact O-CA 3.43Å; F69-F111 HydrophobicContact CB-CD1 4.44Å; F69-F111 HydrophobicContact CB-CE1 4.29Å; F69-F111 HydrophobicContact CD2-CD1 4.5Å; F69-F111 AromaticContact CD2-CE1 3.84Å; F69-F111 HydrophobicContact CD2-CE1 3.84Å; F69-F111 HydrophobicContact CD2-CZ 4.18Å; V95-F111 CarbonylContact C-O 3.56Å; V95-F111 WeakPolarHBondContact CA-O 3.3Å; K96-F111 PolarHBondContact N-O 3.16Å; K96-F111 PolarHBondContact O-N 3.45Å; I98-F111 HydrophobicContact CD1-CD2 4.14Å; I98-F111 HydrophobicContact CD1-CE2 4.11Å; I98-F111 HydrophobicContact CG1-CD2 4.14Å; I98-F111 HydrophobicContact CG1-CE2 3.85Å; Y109-F111 AromaticContact CD2-CE2 3.98Å; Y109-F111 HydrophobicContact CD2-CE2 3.98Å; Y109-F111 HydrophobicContact CD2-CZ 4.18Å; Y109-F111 AromaticContact CE2-CE2 3.78Å; Y109-F111 HydrophobicContact CE2-CE2 3.78Å; Y109-F111 HydrophobicContact CE2-CZ 4.04Å; F111-A142 HydrophobicContact CD1-CB 3.92Å; F111-A142 HydrophobicContact CE1-CB 4.07Å
112V92.1Very high86.2Confident0 Ų064 Ų640%031%0.306CS..EExtended strand (participates in β ladder)trans-124.1132.4169.7174.30000106.9H67 V68 I70 L82 F86 I92 D94 V95 F114H67-V112 WeakPolarHBondContact CA-O 3.23Å; V68-V112 PolarHBondContact N-O 2.98Å; V68-V112 PolarHBondContact O-N 2.82Å; I70-V112 HydrophobicContact CD1-CB 3.86Å; I70-V112 HydrophobicContact CD1-CG2 3.55Å; I70-V112 HydrophobicContact CG1-CG2 4.48Å; L82-V112 HydrophobicContact CD1-CG2 4.48Å; L82-V112 HydrophobicContact CD2-CG2 3.96Å; L82-V112 HydrophobicContact CG-CG2 3.8Å; F86-V112 HydrophobicContact CB-CG1 4.12Å; F86-V112 HydrophobicContact CB-CG2 4.32Å; F86-V112 HydrophobicContact CD1-CG1 4.46Å; F86-V112 HydrophobicContact CD1-CG2 4.39Å; F86-V112 HydrophobicContact CD2-CG2 4.26Å; F86-V112 HydrophobicContact CG-CG1 4.42Å; F86-V112 HydrophobicContact CG-CG2 4.07Å; I92-V112 HydrophobicContact CD1-CG1 3.94Å; I92-V112 HydrophobicContact CG1-CG1 3.89Å; I92-V112 HydrophobicContact CG2-CG1 3.92Å; D94-V112 CarbonylContact O-C 3.58Å; D94-V112 WeakPolarHBondContact O-CA 3Å; V95-V112 HydrophobicContact CG2-CG2 3.99Å; V112-F114 HydrophobicContact CB-CE2 4.36Å; V112-F114 HydrophobicContact CG1-CD2 4.07Å; V112-F114 HydrophobicContact CG1-CE2 3.55Å; V112-F114 HydrophobicContact CG1-CZ 3.87Å
113S87.1Confident87.8Confident5 Ų555.1 Ų55.14%0.03526%0.264CS..EExtended strand (participates in β ladder)trans-110.6123-179.4-49.90000108.7H67 I92 S93 D94H67-S113 PolarHBondContact CE1-OG 3.5Å; H67-S113 WeakPolarHBondContact ND1-CB 3.48Å; H67-S113 PolarHBondContact ND1-OG 3.47Å; I92-S113 CarbonylContact C-O 3.41Å; I92-S113 WeakPolarHBondContact CA-O 3.27Å; S93-S113 PolarHBondContact N-O 3.02Å; S93-S113 VanDerWaalsContact OG-CB 3.3Å; S93-S113 WeakPolarHBondContact OG-CB 3.41Å; S93-S113 PolarHBondContact OG-O 2.83Å; S93-S113 VanDerWaalsContact OG-O 3.12Å; D94-S113 PolarHBondContact O-N 2.85Å
114F88.1Confident88.5Confident0 Ų052.2 Ų52.20%025%0.246CC..EExtended strand (participates in β ladder)trans-99.8151.6176-72.5-85.7000111.6H65 F66 V68 F86 E91 I92 V112 D119 A120 A123H65-F114 CarbonylContact C-O 3.57Å; H65-F114 VanDerWaalsContact CA-O 3.23Å; H65-F114 WeakPolarHBondContact CA-O 3.17Å; H65-F114 WeakPolarHBondContact CB-O 3.35Å; H65-F114 PolarHBondContact ND1-O 3.4Å; F66-F114 PolarHBondContact N-O 3.47Å; F66-F114 PolarHBondContact O-N 3.11Å; V68-F114 HydrophobicContact CG2-CD2 3.86Å; V68-F114 HydrophobicContact CG2-CE2 3.87Å; F86-F114 HydrophobicContact CB-CZ 4.12Å; F86-F114 HydrophobicContact CD1-CE2 4.23Å; F86-F114 HydrophobicContact CD1-CZ 4.07Å; E91-F114 WeakPolarHBondContact O-CA 3.45Å; I92-F114 HydrophobicContact CG1-CD1 4.21Å; I92-F114 HydrophobicContact CG1-CE1 3.79Å; I92-F114 HydrophobicContact CG1-CZ 4.24Å; V112-F114 HydrophobicContact CB-CE2 4.36Å; V112-F114 HydrophobicContact CG1-CD2 4.07Å; V112-F114 HydrophobicContact CG1-CE2 3.55Å; V112-F114 HydrophobicContact CG1-CZ 3.87Å; F114-D119 HydrophobicContact CB-CB 4.16Å; F114-D119 HydrophobicContact CD1-CB 3.66Å; F114-D119 HydrophobicContact CE1-CB 4.34Å; F114-D119 HydrophobicContact CG-CB 4.08Å; F114-A120 HydrophobicContact CB-CB 4.07Å; F114-A120 HydrophobicContact CD2-CB 3.81Å; F114-A120 HydrophobicContact CG-CB 4.2Å; F114-A123 HydrophobicContact CE2-CB 3.61Å; F114-A123 HydrophobicContact CZ-CB 3.59Å
115V83.9Confident89.3Confident55 Ų5553.7 Ų53.733%0.33325%0.25SC..SBendtrans-66.8-39.7174.2-179.90000111.5H65 E91H65-V115 WeakPolarHBondContact ND1-CA 3.22Å; E91-V115 HydrophobicContact CB-CB 4.33Å; E91-V115 HydrophobicContact CB-CG2 3.93Å; E91-V115 HydrophobicContact CG-CG2 3.86Å; E91-V115 PolarHBondContact O-N 3.12Å
116T83.6Confident90.1Very high47 Ų4751.3 Ų51.329%0.28824%0.241SC..SBendtrans-116.8158.7-176.976.10000112.3F66 D119 A120F66-T116 WeakPolarHBondContact CD2-O 3.24Å; T116-D119 WeakPolarHBondContact OG1-CB 3.5Å; T116-D119 PolarHBondContact OG1-N 2.89Å; T116-D119 PolarHBondContact OG1-OD1 2.89Å; T116-D119 PolarHBondContact OG1-OD2 3Å; T116-A120 PolarHBondContact O-N 3.27Å
117R86.9Confident90.7Very high123 Ų12350.8 Ų50.846%0.46424%0.236SC..Hα-helixtrans-70.8-41.6-179.4-171.7174.5167.1164.9-4.1110.8F66 D119 A120 E121 W141F66-R117 HydrophobicContact CD1-CB 3.71Å; F66-R117 HydrophobicContact CD1-CG 3.62Å; F66-R117 HydrophobicContact CD2-CB 3.83Å; F66-R117 HydrophobicContact CE1-CB 3.51Å; F66-R117 HydrophobicContact CE1-CG 3.51Å; F66-R117 HydrophobicContact CE2-CB 3.61Å; F66-R117 VanDerWaalsContact CE2-N 3.28Å; F66-R117 HydrophobicContact CG-CB 3.87Å; F66-R117 HydrophobicContact CG-CG 4.19Å; F66-R117 HydrophobicContact CZ-CB 3.46Å; F66-R117 VanDerWaalsContact CZ-CB 3.46Å; F66-R117 HydrophobicContact CZ-CG 4Å; R117-D119 VanDerWaalsContact C-N 3.29Å; R117-D119 PolarHBondContact O-N 2.85Å; R117-A120 WeakPolarHBondContact O-CB 3.44Å; R117-A120 PolarHBondContact O-N 3.08Å; R117-A120 VanDerWaalsContact O-N 3.16Å; R117-E121 HydrophobicContact CG-CG 4.33Å; R117-E121 IonicContact CZ-OE1 3.76Å; R117-E121 IonicContact NE-OE1 3.23Å; R117-E121 PolarHBondContact NE-OE1 2.88Å; R117-E121 IonicContact NH2-OE1 3.65Å; R117-E121 PolarHBondContact NH2-OE1 2.82Å; R117-E121 WeakPolarHBondContact O-CG 3.12Å; R117-E121 PolarHBondContact O-N 2.79Å; R117-W141 HydrophobicContact CG-CH2 3.91Å; R117-W141 HydrophobicContact CG-CZ2 4.33Å
118E90.7Very high91.1Very high106 Ų10649.4 Ų49.450%0.49523%0.234SC..Hα-helixtrans-63.5-39.2-175.6-61.570.2-154.600110E121 R122E118-E121 PolarHBondContact O-N 2.83Å; E118-R122 VanDerWaalsContact O-CG 3.31Å; E118-R122 WeakPolarHBondContact O-CG 3.35Å; E118-R122 PolarHBondContact O-N 3.06Å
119D93.4Very high91.3Very high22 Ų2250.3 Ų50.312%0.11824%0.243CC..Hα-helixtrans-64.5-43.9174.7-63-13.6000111.5G90 F114 T116 R117 R122 A123G90-D119 WeakPolarHBondContact CA-OD2 3.23Å; F114-D119 HydrophobicContact CB-CB 4.16Å; F114-D119 HydrophobicContact CD1-CB 3.66Å; F114-D119 HydrophobicContact CE1-CB 4.34Å; F114-D119 HydrophobicContact CG-CB 4.08Å; T116-D119 WeakPolarHBondContact OG1-CB 3.5Å; T116-D119 PolarHBondContact OG1-N 2.89Å; T116-D119 PolarHBondContact OG1-OD1 2.89Å; T116-D119 PolarHBondContact OG1-OD2 3Å; R117-D119 VanDerWaalsContact C-N 3.29Å; R117-D119 PolarHBondContact O-N 2.85Å; D119-R122 IonicContact OD1-CZ 3.41Å; D119-R122 IonicContact OD1-NH1 3.56Å; D119-R122 IonicContact OD1-NH2 2.6Å; D119-R122 PolarHBondContact OD1-NH2 3.09Å; D119-A123 WeakPolarHBondContact O-CB 3Å; D119-A123 PolarHBondContact O-N 2.78Å
120A91.3Very high91.4Very high0 Ų051.8 Ų51.80%025%0.252CS..Hα-helixtrans-65.5-40.9176.700000112.6F66 V68 F114 T116 R117 A123 I124 W141F66-A120 HydrophobicContact CB-CB 3.47Å; F66-A120 VanDerWaalsContact CB-CB 3.47Å; V68-A120 HydrophobicContact CG2-CB 3.81Å; F114-A120 HydrophobicContact CB-CB 4.07Å; F114-A120 HydrophobicContact CD2-CB 3.81Å; F114-A120 HydrophobicContact CG-CB 4.2Å; T116-A120 PolarHBondContact O-N 3.27Å; R117-A120 WeakPolarHBondContact O-CB 3.44Å; R117-A120 PolarHBondContact O-N 3.08Å; R117-A120 VanDerWaalsContact O-N 3.16Å; A120-A123 PolarHBondContact O-N 3.29Å; A120-I124 VanDerWaalsContact O-CG1 3.27Å; A120-I124 WeakPolarHBondContact O-CG1 3.14Å; A120-I124 PolarHBondContact O-N 3.31Å; A120-W141 HydrophobicContact CB-CH2 3.77Å; A120-W141 HydrophobicContact CB-CZ3 3.77Å
121E92.5Very high91.6Very high59 Ų5959.9 Ų59.928%0.27628%0.283SS..Hα-helixtrans-61.4-49.6176.4-76.8177.3166.600110.9R117 E118 A123 I124 E125 W141R117-E121 HydrophobicContact CG-CG 4.33Å; R117-E121 IonicContact CZ-OE1 3.76Å; R117-E121 IonicContact NE-OE1 3.23Å; R117-E121 PolarHBondContact NE-OE1 2.88Å; R117-E121 IonicContact NH2-OE1 3.65Å; R117-E121 PolarHBondContact NH2-OE1 2.82Å; R117-E121 WeakPolarHBondContact O-CG 3.12Å; R117-E121 PolarHBondContact O-N 2.79Å; E118-E121 PolarHBondContact O-N 2.83Å; E121-A123 VanDerWaalsContact C-N 3.31Å; E121-A123 PolarHBondContact O-N 2.86Å; E121-I124 PolarHBondContact O-N 3.43Å; E121-E125 WeakPolarHBondContact O-CG 3.46Å; E121-E125 PolarHBondContact O-N 2.8Å; E121-W141 HydrophobicContact CG-CH2 3.9Å; E121-W141 HydrophobicContact CG-CZ2 3.3Å
122R95.2Very high91.7Very high102 Ų10257.8 Ų57.839%0.38528%0.275SS..Hα-helixtrans-59.6-42.3175.9-70.3-168.7-49.5-97.85.7112Y89 E118 D119 E125 Q126Y89-R122 HydrophobicContact CD1-CB 4.49Å; Y89-R122 PolarHBondContact O-NH2 3.5Å; E118-R122 VanDerWaalsContact O-CG 3.31Å; E118-R122 WeakPolarHBondContact O-CG 3.35Å; E118-R122 PolarHBondContact O-N 3.06Å; D119-R122 IonicContact OD1-CZ 3.41Å; D119-R122 IonicContact OD1-NH1 3.56Å; D119-R122 IonicContact OD1-NH2 2.6Å; D119-R122 PolarHBondContact OD1-NH2 3.09Å; R122-E125 PolarHBondContact O-N 2.8Å; R122-Q126 WeakPolarHBondContact O-CB 3.28Å; R122-Q126 WeakPolarHBondContact O-CG 3.33Å; R122-Q126 PolarHBondContact O-N 3.21Å
123A95.6Very high91.7Very high0 Ų060.3 Ų60.30%030%0.301CS..Hα-helixtrans-62.7-43.4176.800000111.8F86 Y89 F114 D119 A120 E121 M127F86-A123 HydrophobicContact CD1-CB 4Å; F86-A123 HydrophobicContact CE1-CB 4.27Å; Y89-A123 HydrophobicContact CD1-CB 4.48Å; Y89-A123 HydrophobicContact CD2-CB 4.17Å; Y89-A123 HydrophobicContact CG-CB 3.88Å; F114-A123 HydrophobicContact CE2-CB 3.61Å; F114-A123 HydrophobicContact CZ-CB 3.59Å; D119-A123 WeakPolarHBondContact O-CB 3Å; D119-A123 PolarHBondContact O-N 2.78Å; A120-A123 PolarHBondContact O-N 3.29Å; E121-A123 VanDerWaalsContact C-N 3.31Å; E121-A123 PolarHBondContact O-N 2.86Å; A123-M127 WeakPolarHBondContact O-CB 3.31Å; A123-M127 PolarHBondContact O-N 3.27Å
124I94.2Very high91.9Very high21 Ų2169.8 Ų69.811%0.10834%0.335CS..Hα-helixtrans-60.6-51.1176.2-71.3162.7000110.1V68 A120 E121 N128 T139 W141V68-I124 HydrophobicContact CB-CG1 4.38Å; V68-I124 HydrophobicContact CG1-CD1 4.48Å; V68-I124 HydrophobicContact CG1-CG1 3.72Å; V68-I124 HydrophobicContact CG2-CD1 4.04Å; V68-I124 HydrophobicContact CG2-CG1 3.85Å; A120-I124 VanDerWaalsContact O-CG1 3.27Å; A120-I124 WeakPolarHBondContact O-CG1 3.14Å; A120-I124 PolarHBondContact O-N 3.31Å; E121-I124 PolarHBondContact O-N 3.43Å; I124-N128 VanDerWaalsContact O-CB 3.29Å; I124-N128 WeakPolarHBondContact O-CB 3.16Å; I124-N128 PolarHBondContact O-N 3.35Å; I124-T139 PolarHBondContact O-OG1 2.85Å; I124-W141 HydrophobicContact CD1-CD2 3.48Å; I124-W141 VanDerWaalsContact CD1-CD2 3.48Å; I124-W141 HydrophobicContact CD1-CE3 3.83Å; I124-W141 HydrophobicContact CD1-CG 3.79Å; I124-W141 HydrophobicContact CD1-CH2 4.46Å; I124-W141 HydrophobicContact CD1-CZ2 4.21Å; I124-W141 HydrophobicContact CD1-CZ3 4.28Å
125E94.1Very high92.1Very high152 Ų15275.9 Ų75.971%0.7136%0.359SS*.Hα-helixtrans-64.8-43-175.3-71.5177.1177.900113.2E121 R122E121-E125 WeakPolarHBondContact O-CG 3.46Å; E121-E125 PolarHBondContact O-N 2.8Å; R122-E125 PolarHBondContact O-N 2.8Å
126Q94.8Very high92.6Very high100 Ų10077.9 Ų77.947%0.46737%0.365SS..Hα-helixtrans-86.9-31.5-171.8-64.9-174.841.600113.6Y89 R122 Q130Y89-Q126 HydrophobicContact CD1-CB 4.46Å; Y89-Q126 HydrophobicContact CE1-CB 3.54Å; Y89-Q126 HydrophobicContact CE1-CG 4.17Å; R122-Q126 WeakPolarHBondContact O-CB 3.28Å; R122-Q126 WeakPolarHBondContact O-CG 3.33Å; R122-Q126 PolarHBondContact O-N 3.21Å; Q126-Q130 WeakPolarHBondContact O-CG 3.29Å; Q126-Q130 PolarHBondContact O-NE2 3.34Å
127M95Very high93.2Very high14 Ų1475.7 Ų75.77%0.06935%0.352CS..Hα-helixtrans-88.9-13.4-179.2-69.7-66.9-75.200113.8A85 F86 Y89 A123 G129 Q130 I137 T139A85-M127 HydrophobicContact CB-CE 4.13Å; F86-M127 HydrophobicContact CD1-CG 4.49Å; F86-M127 HydrophobicContact CD2-CE 4.34Å; F86-M127 HydrophobicContact CE1-CB 4.07Å; F86-M127 HydrophobicContact CE1-CG 4.06Å; F86-M127 HydrophobicContact CE2-CE 3.92Å; F86-M127 HydrophobicContact CZ-CB 3.99Å; F86-M127 HydrophobicContact CZ-CE 4.23Å; F86-M127 HydrophobicContact CZ-CG 4.14Å; Y89-M127 HydrophobicContact CD2-CG 4.14Å; Y89-M127 HydrophobicContact CE2-CG 3.28Å; Y89-M127 HydrophobicContact CE2-SD 3.61Å; Y89-M127 WeakPolarHBondContact OH-CG 3.34Å; Y89-M127 PolarHBondContact OH-SD 2.78Å; A123-M127 WeakPolarHBondContact O-CB 3.31Å; A123-M127 PolarHBondContact O-N 3.27Å; M127-G129 PolarHBondContact O-N 3.05Å; M127-Q130 WeakPolarHBondContact O-CB 3.17Å; M127-Q130 PolarHBondContact O-N 3.49Å; M127-Q130 HydrophobicContact SD-CB 4.32Å; M127-Q130 HydrophobicContact SD-CG 4.22Å; M127-I137 HydrophobicContact CB-CD1 4.29Å; M127-I137 HydrophobicContact CE-CD1 3.79Å; M127-I137 WeakPolarHBondContact O-CG1 2.76Å; M127-T139 HydrophobicContact CB-CG2 3.88Å
128N93.2Very high93.4Very high86 Ų8676.7 Ų76.746%0.4636%0.356SS..THydrogen-bonded Turntrans-63.5121.4178.5-166.843.2000110.5I124 Q130 T139I124-N128 VanDerWaalsContact O-CB 3.29Å; I124-N128 WeakPolarHBondContact O-CB 3.16Å; I124-N128 PolarHBondContact O-N 3.35Å; N128-Q130 VanDerWaalsContact C-N 3.3Å; N128-Q130 PolarHBondContact O-N 2.95Å; N128-T139 WeakPolarHBondContact CA-OG1 2.83Å; N128-T139 WeakPolarHBondContact CB-OG1 3.42Å; N128-T139 PolarHBondContact N-OG1 2.91Å; N128-T139 VanDerWaalsContact N-OG1 3.14Å; N128-T139 PolarHBondContact OD1-N 2.74Å; N128-T139 VanDerWaalsContact OD1-N 3.09Å; N128-T139 PolarHBondContact OD1-O 3.26Å
129G92.9Very high93.6Very high34 Ų3472 Ų7235%0.35133%0.334SS..THydrogen-bonded Turntrans80.72.1-177.700000115M127 M136 I137M127-G129 PolarHBondContact O-N 3.05Å; G129-M136 WeakPolarHBondContact O-CG 3.27Å; G129-I137 WeakPolarHBondContact CA-O 3.34Å; G129-I137 PolarHBondContact N-O 3.5Å
130Q94.8Very high93.5Very high97 Ų9775.6 Ų75.645%0.45335%0.354SS..  trans-73.7150.9175.7-64.7-60.3-23.500111.7Q126 M127 N128 L132 M136 I137Q126-Q130 WeakPolarHBondContact O-CG 3.29Å; Q126-Q130 PolarHBondContact O-NE2 3.34Å; M127-Q130 WeakPolarHBondContact O-CB 3.17Å; M127-Q130 PolarHBondContact O-N 3.49Å; M127-Q130 HydrophobicContact SD-CB 4.32Å; M127-Q130 HydrophobicContact SD-CG 4.22Å; N128-Q130 VanDerWaalsContact C-N 3.3Å; N128-Q130 PolarHBondContact O-N 2.95Å; Q130-L132 PolarHBondContact O-N 3.23Å; Q130-M136 CarbonylContact O-C 3.13Å; Q130-M136 VanDerWaalsContact O-CA 3.26Å; Q130-M136 WeakPolarHBondContact O-CA 3.4Å; Q130-I137 PolarHBondContact O-N 3.25Å
131W94Very high93.4Very high171 Ų17179.7 Ų79.765%0.64837%0.369SS*.EExtended strand (participates in β ladder)trans-75.2123.8174.5-70.788000110.9M136W131-M136 HydrophobicContact CD2-CG 3.88Å; W131-M136 VanDerWaalsContact CE2-CE 3.5Å; W131-M136 HydrophobicContact CE3-CG 4.38Å; W131-M136 HydrophobicContact CG-CG 4.18Å; W131-M136 HydrophobicContact CZ2-CE 3.68Å; W131-M136 HydrophobicContact CZ2-CG 4.13Å; W131-M136 HydrophobicContact CZ2-SD 4.48Å
132L92.4Very high92.8Very high20 Ų2078 Ų7811%0.10537%0.365CS..EExtended strand (participates in β ladder)trans-131.6105.9170.3-166.864.9000109.9L73 S74 I77 T81 L82 A85 Q130 R135 I137L73-L132 HydrophobicContact CD2-CD2 4.28Å; S74-L132 PolarHBondContact OG-O 3.49Å; I77-L132 HydrophobicContact CD1-CG 3.98Å; I77-L132 HydrophobicContact CG2-CD2 4.39Å; T81-L132 HydrophobicContact CG2-CD1 4.48Å; L82-L132 HydrophobicContact CD1-CD2 4Å; A85-L132 HydrophobicContact CB-CD1 3.66Å; A85-L132 HydrophobicContact CB-CD2 4.3Å; Q130-L132 PolarHBondContact O-N 3.23Å; L132-R135 PolarHBondContact N-O 3.39Å; L132-I137 HydrophobicContact CB-CD1 4.35Å; L132-I137 HydrophobicContact CB-CG2 3.54Å; L132-I137 HydrophobicContact CD2-CD1 4.22Å; L132-I137 HydrophobicContact CD2-CG2 4.2Å; L132-I137 HydrophobicContact CG-CG2 4.48Å
133G91.3Very high91.4Very high53 Ų5378.9 Ų78.955%0.54638%0.382SS..THydrogen-bonded Turntrans73.3-125-167.600000110.9
134R91.1Very high89.3Confident203 Ų20385.8 Ų85.877%0.76641%0.408SS*.THydrogen-bonded Turntrans-97.71.6-176.2-61.7177.3-159.4-134.2-1.9114.3S74 E76S74-R134 PolarHBondContact OG-N 2.72Å; E76-R134 VanDerWaalsContact OE1-CD 3.26Å; E76-R134 WeakPolarHBondContact OE1-CD 3.3Å; E76-R134 VanDerWaalsContact OE1-CG 3.28Å; E76-R134 WeakPolarHBondContact OE1-CG 3.48Å; E76-R134 IonicContact OE1-NE 2.93Å; E76-R134 PolarHBondContact OE1-NE 3.37Å
135R92.1Very high86.8Confident129 Ų12992.1 Ų92.149%0.48743%0.434SS..EExtended strand (participates in β ladder)trans-134.4150.5-174.6-65.6-178.5175.3177.7-4.2110.3D72 S74 L132D72-R135 WeakPolarHBondContact O-CB 3.49Å; S74-R135 PolarHBondContact OG-N 3.01Å; L132-R135 PolarHBondContact N-O 3.39Å
136M94.9Very high83.8Confident97 Ų9791.7 Ų91.748%0.47845%0.445SS..EExtended strand (participates in β ladder)trans-72.9136.7163.8-67.7175.5166.300109G129 Q130 W131G129-M136 WeakPolarHBondContact O-CG 3.27Å; Q130-M136 CarbonylContact O-C 3.13Å; Q130-M136 VanDerWaalsContact O-CA 3.26Å; Q130-M136 WeakPolarHBondContact O-CA 3.4Å; W131-M136 HydrophobicContact CD2-CG 3.88Å; W131-M136 VanDerWaalsContact CE2-CE 3.5Å; W131-M136 HydrophobicContact CE3-CG 4.38Å; W131-M136 HydrophobicContact CG-CG 4.18Å; W131-M136 HydrophobicContact CZ2-CE 3.68Å; W131-M136 HydrophobicContact CZ2-CG 4.13Å; W131-M136 HydrophobicContact CZ2-SD 4.48Å
137I96.5Very high80.8Confident1 Ų188.3 Ų88.31%0.00544%0.437CS..  trans-93.3153.9178.566.2177.8000111I70 G71 L73 F86 M127 G129 Q130 L132 T139I70-I137 HydrophobicContact CG2-CB 4.06Å; I70-I137 HydrophobicContact CG2-CD1 3.96Å; I70-I137 HydrophobicContact CG2-CG1 4.48Å; I70-I137 HydrophobicContact CG2-CG2 4.41Å; G71-I137 WeakPolarHBondContact O-CA 3.27Å; L73-I137 HydrophobicContact CD2-CG2 3.86Å; F86-I137 HydrophobicContact CE2-CD1 3.99Å; F86-I137 HydrophobicContact CZ-CD1 3.91Å; M127-I137 HydrophobicContact CB-CD1 4.29Å; M127-I137 HydrophobicContact CE-CD1 3.79Å; M127-I137 WeakPolarHBondContact O-CG1 2.76Å; G129-I137 WeakPolarHBondContact CA-O 3.34Å; G129-I137 PolarHBondContact N-O 3.5Å; Q130-I137 PolarHBondContact O-N 3.25Å; L132-I137 HydrophobicContact CB-CD1 4.35Å; L132-I137 HydrophobicContact CB-CG2 3.54Å; L132-I137 HydrophobicContact CD2-CD1 4.22Å; L132-I137 HydrophobicContact CD2-CG2 4.2Å; L132-I137 HydrophobicContact CG-CG2 4.48Å; I137-T139 HydrophobicContact CD1-CG2 4.23Å
138R92.3Very high77.9Confident144 Ų14491.6 Ų91.654%0.54345%0.454SS..EExtended strand (participates in β ladder)trans-106.5132.3166.9-74-174.1-67.1-177.7-9.6109.6I70 G71 D72I70-R138 CarbonylContact C-O 3.6Å; I70-R138 WeakPolarHBondContact CA-O 3.32Å; G71-R138 PolarHBondContact N-O 2.95Å; G71-R138 PolarHBondContact O-N 2.81Å; G71-R138 VanDerWaalsContact O-N 3.08Å; D72-R138 VanDerWaalsContact CG-NH2 3.34Å; D72-R138 IonicContact OD1-CZ 3.85Å; D72-R138 IonicContact OD1-NE 3.05Å; D72-R138 IonicContact OD1-NH2 3.16Å; D72-R138 PolarHBondContact OD1-NH2 3.09Å; D72-R138 WeakPolarHBondContact OD2-CD 3.47Å; D72-R138 IonicContact OD2-CZ 3.89Å; D72-R138 IonicContact OD2-NE 2.61Å; D72-R138 PolarHBondContact OD2-NE 3.21Å; D72-R138 IonicContact OD2-NH2 3.36Å; D72-R138 PolarHBondContact OD2-NH2 2.83Å
139T94Very high75.1Confident8 Ų893.4 Ų93.45%0.04947%0.471CS..EExtended strand (participates in β ladder)trans-115.4141.7173.752.90000109.7V68 F69 I70 F86 I124 M127 N128 I137V68-T139 HydrophobicContact CG1-CG2 4.43Å; F69-T139 VanDerWaalsContact O-CA 3.31Å; F69-T139 WeakPolarHBondContact O-CA 3.2Å; I70-T139 HydrophobicContact CG1-CG2 4.4Å; F86-T139 HydrophobicContact CE1-CG2 4.02Å; F86-T139 HydrophobicContact CZ-CG2 3.74Å; I124-T139 PolarHBondContact O-OG1 2.85Å; M127-T139 HydrophobicContact CB-CG2 3.88Å; N128-T139 WeakPolarHBondContact CA-OG1 2.83Å; N128-T139 WeakPolarHBondContact CB-OG1 3.42Å; N128-T139 PolarHBondContact N-OG1 2.91Å; N128-T139 VanDerWaalsContact N-OG1 3.14Å; N128-T139 PolarHBondContact OD1-N 2.74Å; N128-T139 VanDerWaalsContact OD1-N 3.09Å; N128-T139 PolarHBondContact OD1-O 3.26Å; I137-T139 HydrophobicContact CD1-CG2 4.23Å
140N91.6Very high72.7Confident97 Ų9795.1 Ų95.152%0.51949%0.488SS..EExtended strand (participates in β ladder)trans-155.6168.2173.2-154.5-21.9000109.2V68 F69 A142V68-N140 CarbonylContact C-O 3.51Å; V68-N140 WeakPolarHBondContact CA-O 3.06Å; F69-N140 PolarHBondContact N-O 3.07Å; F69-N140 PolarHBondContact O-N 3.02Å; N140-A142 PolarHBondContact O-N 2.94Å
141W87.8Confident70.5Confident86 Ų8694.2 Ų94.233%0.32649%0.49SS..EExtended strand (participates in β ladder)trans-55.7128.4164.7-73.8112.4000110.2F66 R117 A120 E121 I124 T143F66-W141 HydrophobicContact CB-CH2 4.19Å; F66-W141 HydrophobicContact CB-CZ3 3.82Å; F66-W141 AromaticContact CD1-CH2 3.94Å; F66-W141 HydrophobicContact CD1-CH2 3.94Å; F66-W141 AromaticContact CD1-CZ3 3.94Å; F66-W141 HydrophobicContact CD1-CZ3 3.94Å; F66-W141 HydrophobicContact CG-CH2 4.44Å; F66-W141 HydrophobicContact CG-CZ3 4.35Å; R117-W141 HydrophobicContact CG-CH2 3.91Å; R117-W141 HydrophobicContact CG-CZ2 4.33Å; A120-W141 HydrophobicContact CB-CH2 3.77Å; A120-W141 HydrophobicContact CB-CZ3 3.77Å; E121-W141 HydrophobicContact CG-CH2 3.9Å; E121-W141 HydrophobicContact CG-CZ2 3.3Å; I124-W141 HydrophobicContact CD1-CD2 3.48Å; I124-W141 VanDerWaalsContact CD1-CD2 3.48Å; I124-W141 HydrophobicContact CD1-CE3 3.83Å; I124-W141 HydrophobicContact CD1-CG 3.79Å; I124-W141 HydrophobicContact CD1-CH2 4.46Å; I124-W141 HydrophobicContact CD1-CZ2 4.21Å; I124-W141 HydrophobicContact CD1-CZ3 4.28Å; W141-T143 PolarHBondContact O-N 3.05Å
142A81.3Confident69Low22 Ų2290.5 Ų90.518%0.18248%0.482CS..  trans-68.1108.6174.100000108.4H67 F69 F111 N140 R144H67-A142 HydrophobicContact CB-CB 3.6Å; H67-A142 WeakPolarHBondContact O-CB 3.48Å; H67-A142 PolarHBondContact O-N 2.85Å; F69-A142 HydrophobicContact CB-CB 4.19Å; F111-A142 HydrophobicContact CD1-CB 3.92Å; F111-A142 HydrophobicContact CE1-CB 4.07Å; N140-A142 PolarHBondContact O-N 2.94Å; A142-R144 PolarHBondContact O-N 3.38Å
143T65.4Low67.9Low122 Ų12292 Ų9275%0.74849%0.491SS*.  trans-74.8110.7169.251.60000107.6W141 K145W141-T143 PolarHBondContact O-N 3.05Å; T143-K145 VanDerWaalsContact C-N 3.32Å; T143-K145 PolarHBondContact O-N 2.61Å
144R51.1Low67.3Low145 Ų14591.8 Ų91.855%0.54748%0.476SS..  trans-67.2102.5159.2-65.7-172.8-179.7-158.95.1105.1H67 A142 P146H67-R144 PolarHBondContact NE2-NH2 2.93Å; A142-R144 PolarHBondContact O-N 3.38Å; R144-P146 WeakPolarHBondContact O-CD 3.32Å
145K42.2Very low66.6Low153 Ų15387.9 Ų87.967%0.66547%0.47SS*.  trans-51126.9161.9-76.8-170.7176-174.70106.2T143 G147 L148T143-K145 VanDerWaalsContact C-N 3.32Å; T143-K145 PolarHBondContact O-N 2.61Å; K145-G147 VanDerWaalsContact C-N 3.29Å; K145-G147 WeakPolarHBondContact CB-O 3.37Å; K145-G147 CarbonylContact O-C 3.27Å; K145-G147 PolarHBondContact O-N 3.01Å; K145-L148 PolarHBondContact O-N 2.85Å
146P32Very low65.8Low144 Ų14485.3 Ų85.394%0.93547%0.466SS*.SBendtrans-57.8103164.6-14.627.6000105.5R144R144-P146 WeakPolarHBondContact O-CD 3.32Å
147G30.9Very low65.1Low29 Ų2980.9 Ų80.930%0.29944%0.444SS..SBendtrans108.977.1-156.400000110.6K145K145-G147 VanDerWaalsContact C-N 3.29Å; K145-G147 WeakPolarHBondContact CB-O 3.37Å; K145-G147 CarbonylContact O-C 3.27Å; K145-G147 PolarHBondContact O-N 3.01Å
148L34.2Very low64.4Low82 Ų8282.6 Ų82.643%0.42945%0.453SS..  trans-55.7137.2171.3-83.987.2000108.8K145 G150 T151K145-L148 PolarHBondContact O-N 2.85Å; L148-G150 PolarHBondContact O-N 3.38Å; L148-T151 VanDerWaalsContact CB-N 3.34Å; L148-T151 WeakPolarHBondContact CD2-OG1 3.47Å; L148-T151 PolarHBondContact O-N 3.13Å
149P34Very low63.9Low124 Ų12479.8 Ų79.881%0.80546%0.46SS*.THydrogen-bonded Turntrans-65.585.1149.629.5-29000107.1
150G44Very low63.2Low70 Ų7084.8 Ų84.872%0.72248%0.483SS*.THydrogen-bonded Turntrans143.6-15.1-176.700000116.1L148L148-G150 PolarHBondContact O-N 3.38Å
151T48.1Very low62.9Low79 Ų7981.2 Ų81.249%0.48547%0.465SS..SBendtrans-120100.5169.7-52.90000107.2L148 T153L148-T151 VanDerWaalsContact CB-N 3.34Å; L148-T151 WeakPolarHBondContact CD2-OG1 3.47Å; L148-T151 PolarHBondContact O-N 3.13Å; T151-T153 PolarHBondContact O-N 3.2Å
152I61.1Low62.7Low92 Ų9278.8 Ų78.847%0.47246%0.462SS..  trans-64.4118.7179.7-48.2177.4000107.2D156 I157I152-D156 HydrophobicContact CG2-CB 3.59Å; I152-I157 HydrophobicContact CB-CG1 4.17Å; I152-I157 HydrophobicContact CG2-CB 4.45Å; I152-I157 HydrophobicContact CG2-CD1 4.29Å; I152-I157 HydrophobicContact CG2-CG1 3.39Å
153T70.4Confident62.7Low51 Ų5182.8 Ų82.831%0.31349%0.486SS..  trans-73165.3175.566.40000110.6T151 D155 D156 I157T151-T153 PolarHBondContact O-N 3.2Å; T153-D155 PolarHBondContact O-N 3.08Å; T153-D156 WeakPolarHBondContact CB-OD2 3.46Å; T153-D156 WeakPolarHBondContact CG2-OD2 3.21Å; T153-D156 PolarHBondContact N-OD2 3.21Å; T153-D156 PolarHBondContact O-N 3.19Å; T153-D156 PolarHBondContact OG1-N 3.31Å; T153-D156 VanDerWaalsContact OG1-N 3.11Å; T153-D156 PolarHBondContact OG1-OD2 3.28Å; T153-I157 WeakPolarHBondContact O-CG1 3.43Å; T153-I157 PolarHBondContact O-N 2.93Å
154F78.5Confident63.6Low50 Ų5083 Ų8322%0.21948%0.483CS..Hα-helixtrans-56.9-42.4174-179.3-94.5000111.4D156 I157 M158 E212 A215 H216 M219F154-D156 PolarHBondContact O-N 2.88Å; F154-I157 PolarHBondContact O-N 2.86Å; F154-M158 HydrophobicContact CD1-CG 3.86Å; F154-M158 HydrophobicContact CE1-CE 4.43Å; F154-M158 HydrophobicContact CE1-CG 3.48Å; F154-M158 VanDerWaalsContact CE1-CG 3.48Å; F154-M158 HydrophobicContact CE1-SD 4.11Å; F154-M158 HydrophobicContact CE2-CG 4.44Å; F154-M158 HydrophobicContact CG-CG 4.5Å; F154-M158 HydrophobicContact CZ-CE 4.49Å; F154-M158 HydrophobicContact CZ-CG 3.82Å; F154-M158 HydrophobicContact CZ-SD 3.91Å; F154-M158 VanDerWaalsContact O-CG 3.29Å; F154-M158 WeakPolarHBondContact O-CG 3.2Å; F154-M158 PolarHBondContact O-N 3.05Å; F154-E212 HydrophobicContact CZ-CB 4.25Å; F154-A215 HydrophobicContact CD2-CB 4.14Å; F154-A215 HydrophobicContact CE2-CB 3.56Å; F154-A215 HydrophobicContact CZ-CB 4.02Å; F154-H216 AromaticContact CD2-CE1 3.69Å; F154-H216 AromaticContact CD2-ND1 3.73Å; F154-H216 HydrophobicContact CE2-CB 4.45Å; F154-H216 AromaticContact CE2-CD2 3.54Å; F154-H216 AromaticContact CE2-CE1 3.48Å; F154-H216 VanDerWaalsContact CE2-CE1 3.48Å; F154-H216 WeakPolarHBondContact CE2-CE1 3.17Å; F154-H216 AromaticContact CE2-CG 3.62Å; F154-H216 AromaticContact CE2-ND1 3.59Å; F154-H216 AromaticContact CE2-NE2 3.46Å; F154-H216 WeakPolarHBondContact CE2-NE2 3.24Å; F154-H216 AromaticContact CZ-NE2 3.82Å; F154-M219 HydrophobicContact CB-CE 4.47Å; F154-M219 HydrophobicContact CB-SD 4.13Å; F154-M219 HydrophobicContact CD2-CE 4.25Å
155D76Confident65.4Low121 Ų12176.6 Ų76.665%0.64746%0.459SS*.Hα-helixtrans-64.6-39.9177.5-63.8-42.5000111.9T153 I157 M158 A159T153-D155 PolarHBondContact O-N 3.08Å; D155-I157 VanDerWaalsContact C-N 3.34Å; D155-I157 PolarHBondContact O-N 3.35Å; D155-M158 PolarHBondContact O-N 2.91Å; D155-A159 WeakPolarHBondContact O-CB 3.35Å; D155-A159 PolarHBondContact O-N 3.05Å
156D75.7Confident67.8Low74 Ų7471.3 Ų71.340%0.39644%0.437SS..Hα-helixtrans-63.4-40.3174.1-64-45.9000111.6I152 T153 F154 A159 Q160I152-D156 HydrophobicContact CG2-CB 3.59Å; T153-D156 WeakPolarHBondContact CB-OD2 3.46Å; T153-D156 WeakPolarHBondContact CG2-OD2 3.21Å; T153-D156 PolarHBondContact N-OD2 3.21Å; T153-D156 PolarHBondContact O-N 3.19Å; T153-D156 PolarHBondContact OG1-N 3.31Å; T153-D156 VanDerWaalsContact OG1-N 3.11Å; T153-D156 PolarHBondContact OG1-OD2 3.28Å; F154-D156 PolarHBondContact O-N 2.88Å; D156-A159 PolarHBondContact O-N 3.04Å; D156-Q160 WeakPolarHBondContact O-CG 3.14Å; D156-Q160 PolarHBondContact O-N 3.26Å; D156-Q160 PolarHBondContact O-NE2 3.46Å; D156-Q160 VanDerWaalsContact O-NE2 3.08Å
157I81.2Confident70.8Confident4 Ų466.3 Ų66.32%0.02140%0.404CS..Hα-helixtrans-63.6-49.1174.7-65.8171.7000109I152 T153 F154 D155 A159 Q160 A215 I218 M219 W235I152-I157 HydrophobicContact CB-CG1 4.17Å; I152-I157 HydrophobicContact CG2-CB 4.45Å; I152-I157 HydrophobicContact CG2-CD1 4.29Å; I152-I157 HydrophobicContact CG2-CG1 3.39Å; T153-I157 WeakPolarHBondContact O-CG1 3.43Å; T153-I157 PolarHBondContact O-N 2.93Å; F154-I157 PolarHBondContact O-N 2.86Å; D155-I157 VanDerWaalsContact C-N 3.34Å; D155-I157 PolarHBondContact O-N 3.35Å; I157-A159 VanDerWaalsContact C-N 3.26Å; I157-A159 PolarHBondContact O-N 3.45Å; I157-Q160 WeakPolarHBondContact O-CB 3.29Å; I157-Q160 PolarHBondContact O-N 3.41Å; I157-Q160 VanDerWaalsContact O-N 3.12Å; I157-A215 HydrophobicContact CG2-CB 3.79Å; I157-I218 HydrophobicContact CD1-CG2 4.12Å; I157-I218 HydrophobicContact CG2-CB 4.18Å; I157-I218 HydrophobicContact CG2-CD1 4.18Å; I157-I218 HydrophobicContact CG2-CG2 4.07Å; I157-M219 HydrophobicContact CD1-CB 3.57Å; I157-M219 HydrophobicContact CD1-CG 3.97Å; I157-M219 HydrophobicContact CD1-SD 4.47Å; I157-W235 HydrophobicContact CG2-CZ2 3.79Å; I157-W235 PolarHBondContact O-NE1 3.35Å
158M81Confident73.8Confident37 Ų3764.9 Ų64.918%0.18239%0.39CS..Hα-helixtrans-58-38.3179.6-72.6-69.5-81.600112.2F154 D155 Q160 K211 E212 A215F154-M158 HydrophobicContact CD1-CG 3.86Å; F154-M158 HydrophobicContact CE1-CE 4.43Å; F154-M158 HydrophobicContact CE1-CG 3.48Å; F154-M158 VanDerWaalsContact CE1-CG 3.48Å; F154-M158 HydrophobicContact CE1-SD 4.11Å; F154-M158 HydrophobicContact CE2-CG 4.44Å; F154-M158 HydrophobicContact CG-CG 4.5Å; F154-M158 HydrophobicContact CZ-CE 4.49Å; F154-M158 HydrophobicContact CZ-CG 3.82Å; F154-M158 HydrophobicContact CZ-SD 3.91Å; F154-M158 VanDerWaalsContact O-CG 3.29Å; F154-M158 WeakPolarHBondContact O-CG 3.2Å; F154-M158 PolarHBondContact O-N 3.05Å; D155-M158 PolarHBondContact O-N 2.91Å; M158-Q160 VanDerWaalsContact C-N 3.32Å; M158-Q160 PolarHBondContact O-N 2.95Å; M158-K211 HydrophobicContact CE-CB 4.5Å; M158-K211 HydrophobicContact CE-CD 4.25Å; M158-K211 HydrophobicContact CE-CG 4.08Å; M158-K211 WeakPolarHBondContact O-CE 3.43Å; M158-K211 PolarHBondContact O-NZ 3.29Å; M158-K211 HydrophobicContact SD-CD 4.28Å; M158-K211 HydrophobicContact SD-CG 3.83Å; M158-E212 HydrophobicContact CE-CG 3.89Å; M158-E212 WeakPolarHBondContact CE-OE1 3.46Å; M158-A215 HydrophobicContact CG-CB 3.97Å; M158-A215 HydrophobicContact SD-CB 3.42Å; M158-A215 WeakPolarHBondContact SD-CB 3.49Å
159A82.2Confident76.7Confident85 Ų8564.7 Ų64.770%0.70238%0.384SS*.Hα-helixtrans-75-14.318000000114.5D155 D156 I157 S161D155-A159 WeakPolarHBondContact O-CB 3.35Å; D155-A159 PolarHBondContact O-N 3.05Å; D156-A159 PolarHBondContact O-N 3.04Å; I157-A159 VanDerWaalsContact C-N 3.26Å; I157-A159 PolarHBondContact O-N 3.45Å; A159-S161 VanDerWaalsContact C-N 3.33Å; A159-S161 PolarHBondContact O-N 2.78Å
160Q79Confident79.4Confident114 Ų11458.8 Ų58.853%0.53335%0.345SS..THydrogen-bonded Turntrans-78.5-10.1-177-80.6165.74100115.1D156 I157 M158D156-Q160 WeakPolarHBondContact O-CG 3.14Å; D156-Q160 PolarHBondContact O-N 3.26Å; D156-Q160 PolarHBondContact O-NE2 3.46Å; D156-Q160 VanDerWaalsContact O-NE2 3.08Å; I157-Q160 WeakPolarHBondContact O-CB 3.29Å; I157-Q160 PolarHBondContact O-N 3.41Å; I157-Q160 VanDerWaalsContact O-N 3.12Å; M158-Q160 VanDerWaalsContact C-N 3.32Å; M158-Q160 PolarHBondContact O-N 2.95Å
161S84.4Confident81.4Confident21 Ų2155.8 Ų55.815%0.14731%0.314CS..SBendtrans-135165.1-178.368.40000111.9A159 K211 W235A159-S161 VanDerWaalsContact C-N 3.33Å; A159-S161 PolarHBondContact O-N 2.78Å; S161-K211 PolarHBondContact O-NZ 2.86Å; S161-K211 WeakPolarHBondContact OG-CE 3.34Å; S161-K211 PolarHBondContact OG-NZ 3.48Å; S161-K211 VanDerWaalsContact OG-NZ 3.13Å; S161-W235 VanDerWaalsContact OG-CD2 3.27Å
162S84.3Confident83.1Confident35 Ų3554 Ų5425%0.24531%0.312CS..  trans-60.7154.5174.777.20000110.9N164 N165 K211 E238S162-N164 PolarHBondContact O-N 3.29Å; S162-N164 PolarHBondContact OG-N 2.91Å; S162-N165 PolarHBondContact O-N 3Å; S162-N165 PolarHBondContact OG-N 2.94Å; S162-K211 VanDerWaalsContact C-NZ 3.33Å; S162-K211 PolarHBondContact O-NZ 3.22Å; S162-E238 WeakPolarHBondContact CB-OE1 3.5Å; S162-E238 PolarHBondContact N-OE1 2.78Å; S162-E238 PolarHBondContact OG-OE1 3.21Å; S162-E238 PolarHBondContact OG-OE2 3.47Å
163P81.6Confident84.5Confident106 Ų10649.8 Ų49.869%0.68829%0.29SS*.THydrogen-bonded Turntrans-55.4-25.5176.6-25.634.7000113.7K211P163-K211 WeakPolarHBondContact O-CD 3.27Å
164N84.6Confident85Confident128 Ų12848.2 Ų48.268%0.68428%0.284SS*.THydrogen-bonded Turntrans-93.9-3.1-176.6-60.7-24.6000113.1S162 M166S162-N164 PolarHBondContact O-N 3.29Å; S162-N164 PolarHBondContact OG-N 2.91Å; N164-M166 WeakPolarHBondContact O-CE 3.31Å; N164-M166 PolarHBondContact O-N 2.78Å
165N88.6Confident85.4Confident10 Ų1053.3 Ų53.35%0.05331%0.309CS..  trans-78113.2178-160.8-20.4000110.4S162 T167 K211 W235 G236 E238S162-N165 PolarHBondContact O-N 3Å; S162-N165 PolarHBondContact OG-N 2.94Å; N165-T167 PolarHBondContact OD1-N 2.82Å; N165-T167 PolarHBondContact OD1-O 2.78Å; N165-K211 WeakPolarHBondContact O-CG 3.24Å; N165-W235 HydrophobicContact CB-CE3 4.38Å; N165-W235 VanDerWaalsContact O-CZ3 3.23Å; N165-W235 WeakPolarHBondContact O-CZ3 3.32Å; N165-G236 PolarHBondContact ND2-O 3.16Å; N165-E238 HydrophobicContact CB-CG 4.42Å; N165-E238 VanDerWaalsContact CB-OE1 3.3Å; N165-E238 WeakPolarHBondContact CB-OE1 3.23Å; N165-E238 PolarHBondContact ND2-OE1 3.36Å
166M92.9Very high85.9Confident42 Ų4254.1 Ų54.121%0.20731%0.313CS..  trans-117.113.2177.3-58167.4-89.700111.3N164 R207 F208 D209 K211N164-M166 WeakPolarHBondContact O-CE 3.31Å; N164-M166 PolarHBondContact O-N 2.78Å; M166-R207 WeakPolarHBondContact O-CA 3.49Å; M166-F208 VanDerWaalsContact CB-O 3.32Å; M166-F208 WeakPolarHBondContact CB-O 3.48Å; M166-F208 PolarHBondContact O-N 3.09Å; M166-D209 VanDerWaalsContact SD-O 3.37Å; M166-K211 HydrophobicContact CG-CB 4.42Å
167T94.6Very high86.5Confident38 Ų3850.6 Ų50.623%0.23329%0.294CS..EExtended strand (participates in β ladder)trans-104.7123.7-173.9-52.50000110.4N165 F205 G236N165-T167 PolarHBondContact OD1-N 2.82Å; N165-T167 PolarHBondContact OD1-O 2.78Å; T167-F205 HydrophobicContact CG2-CB 4.07Å; T167-F205 HydrophobicContact CG2-CD1 3.87Å; T167-F205 HydrophobicContact CG2-CG 4.36Å; T167-G236 PolarHBondContact O-N 3.05Å
168V94.4Very high87.1Confident0 Ų053.2 Ų53.20%031%0.311CS..EExtended strand (participates in β ladder)trans-96.5124.8172.9-177.30000108.8V170 F186 F205 V206 F208 A214 I218 C233 S234V168-V170 HydrophobicContact CG1-CG2 4.08Å; V168-F186 HydrophobicContact CG1-CE1 4.13Å; V168-F205 CarbonylContact O-C 3.59Å; V168-F205 VanDerWaalsContact O-CA 3.3Å; V168-F205 WeakPolarHBondContact O-CA 3.41Å; V168-V206 PolarHBondContact N-O 3.12Å; V168-V206 PolarHBondContact O-N 3.43Å; V168-F208 HydrophobicContact CG2-CD2 4.14Å; V168-F208 HydrophobicContact CG2-CE2 4Å; V168-A214 HydrophobicContact CG2-CB 3.68Å; V168-I218 HydrophobicContact CB-CG1 4.37Å; V168-I218 HydrophobicContact CG1-CD1 4.46Å; V168-I218 HydrophobicContact CG1-CG1 3.69Å; V168-I218 HydrophobicContact CG2-CD1 4.16Å; V168-I218 HydrophobicContact CG2-CG1 3.91Å; V168-C233 HydrophobicContact CG1-CB 3.84Å; V168-S234 CarbonylContact C-O 3.58Å; V168-S234 WeakPolarHBondContact CA-O 3.42Å
169Y93.4Very high87.7Confident78 Ų7855.8 Ų55.831%0.30632%0.322SS..EExtended strand (participates in β ladder)trans-79.9131.3162.4170.9-93.7000109.1Y203 F205 C233 S234Y169-Y203 HydrophobicContact CD2-CD2 4.33Å; Y169-Y203 HydrophobicContact CE2-CD1 4.19Å; Y169-Y203 AromaticContact CE2-CD2 3.78Å; Y169-Y203 HydrophobicContact CE2-CD2 3.78Å; Y169-Y203 AromaticContact CE2-CG 3.58Å; Y169-Y203 HydrophobicContact CE2-CG 3.58Å; Y169-F205 HydrophobicContact CD2-CD1 4.37Å; Y169-F205 AromaticContact CD2-CE1 3.72Å; Y169-F205 HydrophobicContact CD2-CE1 3.72Å; Y169-F205 AromaticContact CD2-CZ 3.95Å; Y169-F205 HydrophobicContact CD2-CZ 3.95Å; Y169-F205 HydrophobicContact CG-CE1 4.36Å; Y169-C233 CarbonylContact O-C 3.57Å; Y169-C233 VanDerWaalsContact O-CA 3.26Å; Y169-C233 WeakPolarHBondContact O-CA 3.38Å; Y169-S234 WeakPolarHBondContact CD1-OG 3.36Å; Y169-S234 PolarHBondContact N-O 3.29Å; Y169-S234 PolarHBondContact O-N 2.88Å
170V91.7Very high88.2Confident0 Ų056.8 Ų56.80%031%0.312CS..EExtended strand (participates in β ladder)trans-120.2101179.5-1710000107.6V168 V173 L182 F186 Y203 A204 V206 V231 R232V168-V170 HydrophobicContact CG1-CG2 4.08Å; V170-V173 HydrophobicContact CB-CG2 4.23Å; V170-V173 HydrophobicContact CG1-CG2 3.81Å; V170-V173 WeakPolarHBondContact O-CG2 3.49Å; V170-L182 HydrophobicContact CG1-CD2 4.37Å; V170-F186 HydrophobicContact CB-CZ 4.46Å; V170-F186 HydrophobicContact CG1-CE2 4.44Å; V170-F186 HydrophobicContact CG1-CZ 4.16Å; V170-F186 HydrophobicContact CG2-CE1 4.04Å; V170-F186 HydrophobicContact CG2-CE2 4.11Å; V170-F186 HydrophobicContact CG2-CZ 3.42Å; V170-F186 VanDerWaalsContact CG2-CZ 3.42Å; V170-Y203 CarbonylContact O-C 3.48Å; V170-Y203 WeakPolarHBondContact O-CA 3.29Å; V170-Y203 WeakPolarHBondContact O-CB 3.41Å; V170-A204 HydrophobicContact CB-CB 4.33Å; V170-A204 PolarHBondContact N-O 3.4Å; V170-A204 PolarHBondContact O-N 2.8Å; V170-V206 HydrophobicContact CG2-CG2 3.94Å; V170-V231 HydrophobicContact CG1-CB 3.71Å; V170-V231 HydrophobicContact CG1-CG1 3.9Å; V170-V231 HydrophobicContact CG1-CG2 4.21Å; V170-R232 CarbonylContact C-O 3.56Å; V170-R232 WeakPolarHBondContact CA-O 3.42Å
171G86.3Confident88.8Confident6 Ų653.3 Ų53.36%0.06230%0.297CS..EExtended strand (participates in β ladder)trans-88.9159.9174.600000112.1V231 R232G171-V231 CarbonylContact O-C 3.59Å; G171-V231 VanDerWaalsContact O-CA 3.24Å; G171-V231 WeakPolarHBondContact O-CA 3.39Å; G171-R232 PolarHBondContact N-O 2.68Å; G171-R232 PolarHBondContact O-N 3.2Å
172G83.6Confident89.3Confident42 Ų4252.3 Ų52.343%0.43329%0.29SS..  trans79.125.3179.500000113.3G174 G202 S229G172-G174 PolarHBondContact O-N 3.44Å; G172-G202 PolarHBondContact N-O 2.93Å; G172-S229 VanDerWaalsContact O-CB 3.24Å; G172-S229 WeakPolarHBondContact O-CB 3.16Å
173V89.3Confident89.8Confident3 Ų354.9 Ų54.92%0.01830%0.295CS..  trans-80.4109.61781800000108.5V170 V177 I197 G202 A204 V231V170-V173 HydrophobicContact CB-CG2 4.23Å; V170-V173 HydrophobicContact CG1-CG2 3.81Å; V170-V173 WeakPolarHBondContact O-CG2 3.49Å; V173-V177 HydrophobicContact CG1-CB 3.65Å; V173-V177 HydrophobicContact CG1-CG1 3.82Å; V173-V177 HydrophobicContact CG1-CG2 4.15Å; V173-I197 HydrophobicContact CG1-CG2 4.1Å; V173-G202 PolarHBondContact N-O 2.8Å; V173-G202 CarbonylContact O-C 3.38Å; V173-G202 VanDerWaalsContact O-CA 3.29Å; V173-G202 WeakPolarHBondContact O-CA 3.46Å; V173-A204 HydrophobicContact CG2-CB 4Å; V173-V231 HydrophobicContact CG2-CG1 4.32Å
174G81.6Confident90.3Very high19 Ų1958 Ų5820%0.19629%0.293CS..  trans-68.5164.9178.800000113.2G172 N176 V177 S229G172-G174 PolarHBondContact O-N 3.44Å; G174-N176 PolarHBondContact O-N 3.14Å; G174-V177 WeakPolarHBondContact O-CB 3.37Å; G174-V177 PolarHBondContact O-N 3.47Å; G174-V177 VanDerWaalsContact O-N 3.08Å; G174-S229 WeakPolarHBondContact CA-OG 3.42Å; G174-S229 PolarHBondContact N-OG 2.85Å; G174-S229 VanDerWaalsContact N-OG 3.13Å
175Q86.6Confident90.5Very high157 Ų15753 Ų5373%0.73427%0.269SS*.THydrogen-bonded Turntrans-63-27.1-176.6-61.7-169.247.800113.5
176N87.7Confident90.8Very high138 Ų13852.5 Ų52.574%0.73827%0.266SS*.THydrogen-bonded Turntrans-82.5-13.6-180-63.4-19.5000113.1G174 T178G174-N176 PolarHBondContact O-N 3.14Å; N176-T178 PolarHBondContact O-N 3.48Å
177V88.2Confident90.8Very high0 Ų053 Ų530%028%0.277CS..  trans-70.2125.3-179.4-1780000109.4V173 G174 D181 L182 I226V173-V177 HydrophobicContact CG1-CB 3.65Å; V173-V177 HydrophobicContact CG1-CG1 3.82Å; V173-V177 HydrophobicContact CG1-CG2 4.15Å; G174-V177 WeakPolarHBondContact O-CB 3.37Å; G174-V177 PolarHBondContact O-N 3.47Å; G174-V177 VanDerWaalsContact O-N 3.08Å; V177-D181 HydrophobicContact CG1-CB 4.15Å; V177-L182 HydrophobicContact CG1-CD2 4.2Å; V177-L182 HydrophobicContact CG1-CG 3.97Å; V177-I226 HydrophobicContact CG1-CG2 3.95Å; V177-I226 WeakPolarHBondContact CG2-O 3.43Å
178T92.5Very high90.7Very high59 Ų5958.5 Ų58.536%0.36230%0.298SS..  trans-97.9166.817868.50000111.5N176 E180 D181 L182N176-T178 PolarHBondContact O-N 3.48Å; T178-E180 PolarHBondContact O-N 3.26Å; T178-E180 PolarHBondContact OG1-N 3.31Å; T178-D181 WeakPolarHBondContact CB-OD2 3.49Å; T178-D181 PolarHBondContact N-OD2 2.66Å; T178-D181 PolarHBondContact O-N 3.08Å; T178-D181 PolarHBondContact OG1-N 3.44Å; T178-D181 PolarHBondContact OG1-OD2 3.3Å; T178-L182 PolarHBondContact O-N 2.87Å
179E93.6Very high90.5Very high91 Ų9160.4 Ų60.443%0.42531%0.306SS..Hα-helixtrans-60-36.8171.5-170.1-174.6148.100111.5D181 L182 R183 I195 I197E179-D181 VanDerWaalsContact C-N 3.32Å; E179-D181 PolarHBondContact O-N 2.79Å; E179-L182 PolarHBondContact O-N 2.8Å; E179-R183 VanDerWaalsContact O-CB 3.29Å; E179-R183 WeakPolarHBondContact O-CB 3.33Å; E179-R183 PolarHBondContact O-N 2.93Å; E179-R183 IonicContact OE1-CZ 3.74Å; E179-R183 IonicContact OE1-NE 3.85Å; E179-R183 IonicContact OE1-NH2 2.8Å; E179-R183 PolarHBondContact OE1-NH2 3.4Å; E179-I195 HydrophobicContact CG-CB 3.8Å; E179-I195 HydrophobicContact CG-CD1 3.88Å; E179-I195 HydrophobicContact CG-CG1 4.39Å; E179-I195 HydrophobicContact CG-CG2 3.86Å; E179-I197 HydrophobicContact CB-CD1 4.1Å
180E93.3Very high90.4Very high105 Ų10557.7 Ų57.749%0.49130%0.302SS..Hα-helixtrans-64-37.9179.1-170.457.8-151.500111.9T178 R183 R184T178-E180 PolarHBondContact O-N 3.26Å; T178-E180 PolarHBondContact OG1-N 3.31Å; E180-R183 PolarHBondContact O-N 3Å; E180-R184 VanDerWaalsContact O-CB 3.3Å; E180-R184 WeakPolarHBondContact O-CB 3.45Å; E180-R184 PolarHBondContact O-N 3.04Å
181D92.3Very high90.5Very high42 Ų4261 Ų6123%0.22533%0.325CS..Hα-helixtrans-64.4-45176.2-59.8-50.1000111.5V177 T178 E179 A185 I226V177-D181 HydrophobicContact CG1-CB 4.15Å; T178-D181 WeakPolarHBondContact CB-OD2 3.49Å; T178-D181 PolarHBondContact N-OD2 2.66Å; T178-D181 PolarHBondContact O-N 3.08Å; T178-D181 PolarHBondContact OG1-N 3.44Å; T178-D181 PolarHBondContact OG1-OD2 3.3Å; E179-D181 VanDerWaalsContact C-N 3.32Å; E179-D181 PolarHBondContact O-N 2.79Å; D181-A185 WeakPolarHBondContact O-CB 3.42Å; D181-A185 PolarHBondContact O-N 2.79Å; D181-I226 HydrophobicContact CB-CG2 3.8Å
182L93.3Very high91Very high0 Ų061.9 Ų61.90%033%0.328CS..Hα-helixtrans-65.4-44.8174.9-68.6175.6000110.9V170 V177 T178 E179 R184 A185 F186 I195 I197 A204 I226V170-L182 HydrophobicContact CG1-CD2 4.37Å; V177-L182 HydrophobicContact CG1-CD2 4.2Å; V177-L182 HydrophobicContact CG1-CG 3.97Å; T178-L182 PolarHBondContact O-N 2.87Å; E179-L182 PolarHBondContact O-N 2.8Å; L182-R184 VanDerWaalsContact C-N 3.34Å; L182-R184 PolarHBondContact O-N 2.77Å; L182-A185 PolarHBondContact O-N 3.27Å; L182-A185 VanDerWaalsContact O-N 3.16Å; L182-F186 HydrophobicContact CD2-CD2 4.43Å; L182-F186 HydrophobicContact CD2-CE2 3.95Å; L182-F186 WeakPolarHBondContact O-CB 3.26Å; L182-F186 VanDerWaalsContact O-CD2 3.23Å; L182-F186 WeakPolarHBondContact O-CD2 3.33Å; L182-F186 PolarHBondContact O-N 3.4Å; L182-I195 HydrophobicContact CB-CD1 4.33Å; L182-I195 HydrophobicContact CB-CG2 4.3Å; L182-I195 HydrophobicContact CD1-CG2 3.86Å; L182-I197 HydrophobicContact CD1-CD1 3.79Å; L182-I197 HydrophobicContact CD1-CG1 3.78Å; L182-A204 HydrophobicContact CD1-CB 3.61Å; L182-I226 HydrophobicContact CD2-CD1 4.05Å; L182-I226 HydrophobicContact CD2-CG2 4.25Å
183R95.3Very high91.4Very high89 Ų8964.8 Ų64.834%0.33633%0.333SS..Hα-helixtrans-57.8-48.1178.6-173.2171.8-67-80.1-0.7110.8E179 E180 A185 F186 A187 I192 I195E179-R183 VanDerWaalsContact O-CB 3.29Å; E179-R183 WeakPolarHBondContact O-CB 3.33Å; E179-R183 PolarHBondContact O-N 2.93Å; E179-R183 IonicContact OE1-CZ 3.74Å; E179-R183 IonicContact OE1-NE 3.85Å; E179-R183 IonicContact OE1-NH2 2.8Å; E179-R183 PolarHBondContact OE1-NH2 3.4Å; E180-R183 PolarHBondContact O-N 3Å; R183-A185 VanDerWaalsContact C-N 3.34Å; R183-A185 PolarHBondContact O-N 2.86Å; R183-F186 PolarHBondContact O-N 2.99Å; R183-A187 WeakPolarHBondContact O-CB 3.09Å; R183-A187 PolarHBondContact O-N 2.64Å; R183-I192 HydrophobicContact CG-CD1 4.35Å; R183-I195 HydrophobicContact CB-CD1 3.75Å; R183-I195 HydrophobicContact CG-CD1 4.4Å
184R92.2Very high91.6Very high171 Ų17168.6 Ų68.665%0.64535%0.351SS*.Hα-helixtrans-60.8-41.1176.6-170.6-176.3-57.4166.76.3112.5E180 L182E180-R184 VanDerWaalsContact O-CB 3.3Å; E180-R184 WeakPolarHBondContact O-CB 3.45Å; E180-R184 PolarHBondContact O-N 3.04Å; L182-R184 VanDerWaalsContact C-N 3.34Å; L182-R184 PolarHBondContact O-N 2.77Å
185A89.6Confident92.3Very high22 Ų2268.5 Ų68.518%0.18235%0.345CS..Hα-helixtrans-71.6-35.1-179.300000113.2D181 L182 R183 K188 F189 I226D181-A185 WeakPolarHBondContact O-CB 3.42Å; D181-A185 PolarHBondContact O-N 2.79Å; L182-A185 PolarHBondContact O-N 3.27Å; L182-A185 VanDerWaalsContact O-N 3.16Å; R183-A185 VanDerWaalsContact C-N 3.34Å; R183-A185 PolarHBondContact O-N 2.86Å; A185-K188 WeakPolarHBondContact O-CE 3.49Å; A185-F189 WeakPolarHBondContact O-CE2 3.37Å; A185-I226 HydrophobicContact CB-CD1 3.59Å; A185-I226 HydrophobicContact CB-CG1 4.09Å
186F93.8Very high92.6Very high0 Ų067.1 Ų67.10%033%0.334CS..Hα-helixtrans-97.3-26.5-173.1-77.5-100.6000113.8V168 V170 L182 R183 K188 F189 I192 V206 F208 A217 V221 I226V168-F186 HydrophobicContact CG1-CE1 4.13Å; V170-F186 HydrophobicContact CB-CZ 4.46Å; V170-F186 HydrophobicContact CG1-CE2 4.44Å; V170-F186 HydrophobicContact CG1-CZ 4.16Å; V170-F186 HydrophobicContact CG2-CE1 4.04Å; V170-F186 HydrophobicContact CG2-CE2 4.11Å; V170-F186 HydrophobicContact CG2-CZ 3.42Å; V170-F186 VanDerWaalsContact CG2-CZ 3.42Å; L182-F186 HydrophobicContact CD2-CD2 4.43Å; L182-F186 HydrophobicContact CD2-CE2 3.95Å; L182-F186 WeakPolarHBondContact O-CB 3.26Å; L182-F186 VanDerWaalsContact O-CD2 3.23Å; L182-F186 WeakPolarHBondContact O-CD2 3.33Å; L182-F186 PolarHBondContact O-N 3.4Å; R183-F186 PolarHBondContact O-N 2.99Å; F186-K188 PolarHBondContact O-N 3.4Å; F186-K188 VanDerWaalsContact O-N 3.09Å; F186-F189 WeakPolarHBondContact O-CD2 3.46Å; F186-F189 PolarHBondContact O-N 3.4Å; F186-I192 HydrophobicContact CB-CD1 3.64Å; F186-I192 HydrophobicContact CB-CG1 4.42Å; F186-V206 HydrophobicContact CB-CG1 4.1Å; F186-V206 HydrophobicContact CD1-CB 4.21Å; F186-V206 HydrophobicContact CD1-CG1 3.96Å; F186-V206 HydrophobicContact CD1-CG2 4.27Å; F186-V206 HydrophobicContact CD2-CG2 4.28Å; F186-V206 HydrophobicContact CE1-CB 4.42Å; F186-V206 HydrophobicContact CE1-CG2 4.32Å; F186-V206 HydrophobicContact CE2-CG2 4.32Å; F186-V206 HydrophobicContact CG-CG1 4.07Å; F186-V206 HydrophobicContact CG-CG2 4.26Å; F186-V206 HydrophobicContact CZ-CG2 4.35Å; F186-F208 HydrophobicContact CB-CZ 3.92Å; F186-F208 AromaticContact CD1-CE2 3.89Å; F186-F208 HydrophobicContact CD1-CE2 3.89Å; F186-F208 AromaticContact CD1-CZ 3.82Å; F186-F208 HydrophobicContact CD1-CZ 3.82Å; F186-F208 HydrophobicContact CG-CZ 4.38Å; F186-A217 HydrophobicContact CD1-CB 3.71Å; F186-A217 HydrophobicContact CE1-CB 3.93Å; F186-V221 HydrophobicContact CD1-CG2 4.46Å; F186-V221 HydrophobicContact CE1-CB 4.34Å; F186-V221 HydrophobicContact CE1-CG1 4.28Å; F186-V221 HydrophobicContact CE1-CG2 4.23Å; F186-V221 HydrophobicContact CE2-CG1 3.77Å; F186-V221 HydrophobicContact CZ-CB 4.13Å; F186-V221 HydrophobicContact CZ-CG1 3.6Å; F186-V221 HydrophobicContact CZ-CG2 4.32Å; F186-I226 HydrophobicContact CE2-CD1 3.93Å
187A93.3Very high92.9Very high52 Ų5262.7 Ų62.743%0.4331%0.309SS..G310 helixtrans-63.9-21.1-174.100000113.6R183 F189 G190 I192R183-A187 WeakPolarHBondContact O-CB 3.09Å; R183-A187 PolarHBondContact O-N 2.64Å; A187-F189 PolarHBondContact O-N 2.97Å; A187-G190 PolarHBondContact O-N 2.9Å; A187-I192 HydrophobicContact CB-CD1 4.14Å
188K92Very high93.1Very high155 Ų15565.2 Ų65.267%0.67432%0.32SS*.G310 helixtrans-67.7-15174.965.2-178.7176.2-179.10114.4A185 F186A185-K188 WeakPolarHBondContact O-CE 3.49Å; F186-K188 PolarHBondContact O-N 3.4Å; F186-K188 VanDerWaalsContact O-N 3.09Å
189F91.2Very high92.9Very high40 Ų4067.5 Ų67.518%0.17533%0.325CS..G310 helixtrans-97-17.4179.7-57.8-71.9000113.3A185 F186 A187 F208 S213 H216 A217 N220 V221A185-F189 WeakPolarHBondContact O-CE2 3.37Å; F186-F189 WeakPolarHBondContact O-CD2 3.46Å; F186-F189 PolarHBondContact O-N 3.4Å; A187-F189 PolarHBondContact O-N 2.97Å; F189-F208 HydrophobicContact CB-CE1 4.22Å; F189-F208 HydrophobicContact CB-CZ 4.34Å; F189-S213 VanDerWaalsContact O-CB 3.25Å; F189-S213 WeakPolarHBondContact O-CB 3.4Å; F189-S213 PolarHBondContact O-OG 3.25Å; F189-S213 VanDerWaalsContact O-OG 3.04Å; F189-H216 HydrophobicContact CB-CB 4.45Å; F189-H216 HydrophobicContact CD1-CB 3.93Å; F189-H216 HydrophobicContact CG-CB 4.5Å; F189-A217 HydrophobicContact CB-CB 4.26Å; F189-A217 HydrophobicContact CD2-CB 3.79Å; F189-A217 HydrophobicContact CE2-CB 4.38Å; F189-A217 HydrophobicContact CG-CB 4.07Å; F189-N220 HydrophobicContact CE1-CB 3.44Å; F189-N220 VanDerWaalsContact CE1-CB 3.44Å; F189-N220 HydrophobicContact CZ-CB 3.41Å; F189-N220 VanDerWaalsContact CZ-CB 3.41Å; F189-V221 HydrophobicContact CD2-CG2 4.09Å; F189-V221 HydrophobicContact CE2-CG2 3.2Å; F189-V221 HydrophobicContact CZ-CG2 3.72Å
190G91.5Very high92.6Very high21 Ų2172 Ų7222%0.21635%0.346CS..SBendtrans158.5-178.7-177.600000112.5A187 I192A187-G190 PolarHBondContact O-N 2.9Å; G190-I192 PolarHBondContact O-N 2.78Å
191S94.4Very high92.4Very high69 Ų6972.1 Ų72.148%0.48335%0.347SS..  trans-74.3127.8-177.6-32.60000110.9F208 D209S191-F208 WeakPolarHBondContact O-CA 3.3Å; S191-D209 WeakPolarHBondContact CB-OD2 3.23Å; S191-D209 PolarHBondContact O-N 2.86Å; S191-D209 PolarHBondContact OG-OD2 2.84Å
192I95Very high92.2Very high24 Ų2471.1 Ų71.112%0.12335%0.347CS..EExtended strand (participates in β ladder)trans-92.8119.2178.1-57.1171.7000109.2R183 F186 A187 G190 I195 V206 R207 F208R183-I192 HydrophobicContact CG-CD1 4.35Å; F186-I192 HydrophobicContact CB-CD1 3.64Å; F186-I192 HydrophobicContact CB-CG1 4.42Å; A187-I192 HydrophobicContact CB-CD1 4.14Å; G190-I192 PolarHBondContact O-N 2.78Å; I192-I195 HydrophobicContact CD1-CD1 4.27Å; I192-I195 HydrophobicContact CG2-CD1 4.06Å; I192-I195 HydrophobicContact CG2-CG1 3.59Å; I192-V206 HydrophobicContact CD1-CG1 4.31Å; I192-V206 HydrophobicContact CG1-CG1 4.28Å; I192-V206 HydrophobicContact CG2-CG1 3.9Å; I192-R207 CarbonylContact C-O 3.6Å; I192-F208 HydrophobicContact CG1-CD1 4.43Å; I192-F208 HydrophobicContact CG1-CE1 4.05Å; I192-F208 HydrophobicContact CG1-CZ 4.44Å
193L93.8Very high92.2Very high104 Ų10473.8 Ų73.855%0.54536%0.357SS..EExtended strand (participates in β ladder)trans-79.8-39.7174.8-65.1-177.6000112.3R207 F208 D209L193-R207 HydrophobicContact CB-CG 4.42Å; L193-R207 PolarHBondContact N-O 3.49Å; L193-F208 WeakPolarHBondContact CD1-O 3.48Å; L193-D209 HydrophobicContact CD1-CB 4.4Å; L193-D209 HydrophobicContact CD2-CB 4.13Å; L193-D209 HydrophobicContact CG-CB 4.13Å
194E93.3Very high92.2Very high83 Ų8369.6 Ų69.639%0.38834%0.341SS..EExtended strand (participates in β ladder)trans-153.4141.6-172.8-168.7-177.8-16800111.5R196 R207E194-R196 HydrophobicContact CG-CG 4.08Å; E194-R196 VanDerWaalsContact OE1-CD 3.27Å; E194-R196 WeakPolarHBondContact OE1-CD 3.14Å; E194-R207 HydrophobicContact CB-CB 4.05Å; E194-R207 PolarHBondContact N-O 3.39Å; E194-R207 PolarHBondContact O-N 3.3Å
195I95.2Very high92.4Very high16 Ų1663.9 Ų63.98%0.08232%0.321CS..EExtended strand (participates in β ladder)trans-126.7129.7168.6-56177.3000108.2E179 L182 R183 I192 I197 F205 V206E179-I195 HydrophobicContact CG-CB 3.8Å; E179-I195 HydrophobicContact CG-CD1 3.88Å; E179-I195 HydrophobicContact CG-CG1 4.39Å; E179-I195 HydrophobicContact CG-CG2 3.86Å; L182-I195 HydrophobicContact CB-CD1 4.33Å; L182-I195 HydrophobicContact CB-CG2 4.3Å; L182-I195 HydrophobicContact CD1-CG2 3.86Å; R183-I195 HydrophobicContact CB-CD1 3.75Å; R183-I195 HydrophobicContact CG-CD1 4.4Å; I192-I195 HydrophobicContact CD1-CD1 4.27Å; I192-I195 HydrophobicContact CG2-CD1 4.06Å; I192-I195 HydrophobicContact CG2-CG1 3.59Å; I195-I197 HydrophobicContact CG2-CG1 4.13Å; I195-F205 CarbonylContact C-O 3.57Å; I195-F205 WeakPolarHBondContact CA-O 3.18Å; I195-V206 HydrophobicContact CG1-CG1 4.44Å; I195-V206 HydrophobicContact CG1-CG2 4.5Å; I195-V206 HydrophobicContact CG2-CG2 4.44Å
196R94.3Very high92.7Very high129 Ų12962.8 Ų62.849%0.48731%0.313SS..EExtended strand (participates in β ladder)trans-128.3119176.5-64.6177.565175.31.7110E194 F198 A204 F205E194-R196 HydrophobicContact CG-CG 4.08Å; E194-R196 VanDerWaalsContact OE1-CD 3.27Å; E194-R196 WeakPolarHBondContact OE1-CD 3.14Å; R196-F198 HydrophobicContact CB-CE2 3.99Å; R196-A204 CarbonylContact O-C 3.57Å; R196-A204 WeakPolarHBondContact O-CA 3.04Å; R196-A204 WeakPolarHBondContact O-CB 3.48Å; R196-F205 HydrophobicContact CB-CB 4.48Å; R196-F205 PolarHBondContact N-O 3.32Å; R196-F205 PolarHBondContact O-N 2.71Å
197I93.4Very high92.8Very high44 Ų4466.6 Ų66.623%0.22633%0.327CS..EExtended strand (participates in β ladder)trans-107.9129.6-177.8-49.7178.2000110.3V173 E179 L182 I195 K199 A204V173-I197 HydrophobicContact CG1-CG2 4.1Å; E179-I197 HydrophobicContact CB-CD1 4.1Å; L182-I197 HydrophobicContact CD1-CD1 3.79Å; L182-I197 HydrophobicContact CD1-CG1 3.78Å; I195-I197 HydrophobicContact CG2-CG1 4.13Å; I197-K199 HydrophobicContact CG2-CG 3.76Å; I197-A204 HydrophobicContact CB-CB 4.44Å; I197-A204 HydrophobicContact CG1-CB 4.16Å; I197-A204 HydrophobicContact CG2-CB 4.48Å
198F92.6Very high92.9Very high54 Ų5464.1 Ų64.124%0.23731%0.307CS..EExtended strand (participates in β ladder)trans-110.975.7176.9-68.6-95.7000108.3R196 Q200 Q201 G202 Y203 F205R196-F198 HydrophobicContact CB-CE2 3.99Å; F198-Q200 VanDerWaalsContact C-N 3.29Å; F198-Q200 PolarHBondContact O-N 3.16Å; F198-Q201 HydrophobicContact CB-CB 4.28Å; F198-Q201 CarbonylContact O-C 3.53Å; F198-Q201 PolarHBondContact O-N 2.85Å; F198-G202 PolarHBondContact O-N 2.89Å; F198-Y203 CarbonylContact C-O 3.57Å; F198-Y203 WeakPolarHBondContact CA-O 3.25Å; F198-Y203 HydrophobicContact CB-CD1 4.49Å; F198-Y203 HydrophobicContact CB-CD2 3.85Å; F198-Y203 HydrophobicContact CB-CE1 4.25Å; F198-Y203 HydrophobicContact CB-CE2 3.51Å; F198-Y203 HydrophobicContact CB-CG 4.29Å; F198-Y203 WeakPolarHBondContact CB-O 3.35Å; F198-Y203 HydrophobicContact CD1-CE2 4.11Å; F198-Y203 AromaticContact CD2-CD2 3.82Å; F198-Y203 HydrophobicContact CD2-CD2 3.82Å; F198-Y203 AromaticContact CD2-CE2 3.28Å; F198-Y203 HydrophobicContact CD2-CE2 3.28Å; F198-Y203 AromaticContact CE2-CE2 3.98Å; F198-Y203 HydrophobicContact CE2-CE2 3.98Å; F198-Y203 HydrophobicContact CG-CD2 4.06Å; F198-Y203 AromaticContact CG-CE2 3.35Å; F198-Y203 HydrophobicContact CG-CE2 3.35Å; F198-Y203 AromaticContact CG-CZ 3.73Å; F198-Y203 PolarHBondContact N-O 3.38Å; F198-Y203 PolarHBondContact O-N 3.42Å; F198-F205 HydrophobicContact CD2-CD2 4.21Å; F198-F205 HydrophobicContact CD2-CE2 4.4Å; F198-F205 AromaticContact CE2-CD2 3.75Å; F198-F205 HydrophobicContact CE2-CD2 3.75Å; F198-F205 AromaticContact CE2-CE2 4Å; F198-F205 HydrophobicContact CE2-CE2 4Å
199K88Confident92.9Very high106 Ų10659.9 Ų59.946%0.46129%0.291SS..THydrogen-bonded Turntrans-57.1-38.5-170.9-67.2-168.4175.1-162.40113.6I197 Q201 G202I197-K199 HydrophobicContact CG2-CG 3.76Å; K199-Q201 VanDerWaalsContact C-N 3.28Å; K199-Q201 PolarHBondContact O-N 3.39Å; K199-G202 PolarHBondContact O-N 2.88Å
200Q86.1Confident93Very high186 Ų18660.3 Ų60.387%0.86930%0.295SS*.THydrogen-bonded Turntrans-68.2-31.4179.9-66.4-1776.400112.1F198F198-Q200 VanDerWaalsContact C-N 3.29Å; F198-Q200 PolarHBondContact O-N 3.16Å
201Q89.1Confident93Very high107 Ų10760 Ų6050%0.529%0.288SS..THydrogen-bonded Turntrans-95-8.2-178.2-60.678.45.400113.1F198 K199 Y203F198-Q201 HydrophobicContact CB-CB 4.28Å; F198-Q201 CarbonylContact O-C 3.53Å; F198-Q201 PolarHBondContact O-N 2.85Å; K199-Q201 VanDerWaalsContact C-N 3.28Å; K199-Q201 PolarHBondContact O-N 3.39Å; Q201-Y203 HydrophobicContact CB-CD1 3.46Å; Q201-Y203 VanDerWaalsContact CB-CD1 3.46Å; Q201-Y203 HydrophobicContact CB-CE1 3.14Å; Q201-Y203 HydrophobicContact CG-CE1 3.81Å
202G89Confident92.8Very high22 Ų2261.2 Ų61.223%0.22729%0.286CS..THydrogen-bonded Turntrans72.230.7176.100000114.4G172 V173 F198 K199G172-G202 PolarHBondContact N-O 2.93Å; V173-G202 PolarHBondContact N-O 2.8Å; V173-G202 CarbonylContact O-C 3.38Å; V173-G202 VanDerWaalsContact O-CA 3.29Å; V173-G202 WeakPolarHBondContact O-CA 3.46Å; F198-G202 PolarHBondContact O-N 2.89Å; K199-G202 PolarHBondContact O-N 2.88Å
203Y93.4Very high92.8Very high56 Ų5660.5 Ų60.522%0.2228%0.283CS..EExtended strand (participates in β ladder)trans-140.8165.3176.767.3-103.5000113.1Y169 V170 F198 Q201 F205Y169-Y203 HydrophobicContact CD2-CD2 4.33Å; Y169-Y203 HydrophobicContact CE2-CD1 4.19Å; Y169-Y203 AromaticContact CE2-CD2 3.78Å; Y169-Y203 HydrophobicContact CE2-CD2 3.78Å; Y169-Y203 AromaticContact CE2-CG 3.58Å; Y169-Y203 HydrophobicContact CE2-CG 3.58Å; V170-Y203 CarbonylContact O-C 3.48Å; V170-Y203 WeakPolarHBondContact O-CA 3.29Å; V170-Y203 WeakPolarHBondContact O-CB 3.41Å; F198-Y203 CarbonylContact C-O 3.57Å; F198-Y203 WeakPolarHBondContact CA-O 3.25Å; F198-Y203 HydrophobicContact CB-CD1 4.49Å; F198-Y203 HydrophobicContact CB-CD2 3.85Å; F198-Y203 HydrophobicContact CB-CE1 4.25Å; F198-Y203 HydrophobicContact CB-CE2 3.51Å; F198-Y203 HydrophobicContact CB-CG 4.29Å; F198-Y203 WeakPolarHBondContact CB-O 3.35Å; F198-Y203 HydrophobicContact CD1-CE2 4.11Å; F198-Y203 AromaticContact CD2-CD2 3.82Å; F198-Y203 HydrophobicContact CD2-CD2 3.82Å; F198-Y203 AromaticContact CD2-CE2 3.28Å; F198-Y203 HydrophobicContact CD2-CE2 3.28Å; F198-Y203 AromaticContact CE2-CE2 3.98Å; F198-Y203 HydrophobicContact CE2-CE2 3.98Å; F198-Y203 HydrophobicContact CG-CD2 4.06Å; F198-Y203 AromaticContact CG-CE2 3.35Å; F198-Y203 HydrophobicContact CG-CE2 3.35Å; F198-Y203 AromaticContact CG-CZ 3.73Å; F198-Y203 PolarHBondContact N-O 3.38Å; F198-Y203 PolarHBondContact O-N 3.42Å; Q201-Y203 HydrophobicContact CB-CD1 3.46Å; Q201-Y203 VanDerWaalsContact CB-CD1 3.46Å; Q201-Y203 HydrophobicContact CB-CE1 3.14Å; Q201-Y203 HydrophobicContact CG-CE1 3.81Å; Y203-F205 HydrophobicContact CD2-CD2 4.46Å; Y203-F205 HydrophobicContact CD2-CE2 4.02Å; Y203-F205 HydrophobicContact CE2-CD2 4.3Å; Y203-F205 AromaticContact CE2-CE2 3.61Å; Y203-F205 HydrophobicContact CE2-CE2 3.61Å; Y203-F205 HydrophobicContact CE2-CZ 4.26Å
204A95.1Very high92.7Very high0 Ų055.5 Ų55.50%026%0.257CS..EExtended strand (participates in β ladder)trans-139.3164173.200000111.4V170 V173 L182 R196 I197V170-A204 HydrophobicContact CB-CB 4.33Å; V170-A204 PolarHBondContact N-O 3.4Å; V170-A204 PolarHBondContact O-N 2.8Å; V173-A204 HydrophobicContact CG2-CB 4Å; L182-A204 HydrophobicContact CD1-CB 3.61Å; R196-A204 CarbonylContact O-C 3.57Å; R196-A204 WeakPolarHBondContact O-CA 3.04Å; R196-A204 WeakPolarHBondContact O-CB 3.48Å; I197-A204 HydrophobicContact CB-CB 4.44Å; I197-A204 HydrophobicContact CG1-CB 4.16Å; I197-A204 HydrophobicContact CG2-CB 4.48Å
205F96.1Very high92.6Very high51 Ų5151.6 Ų51.622%0.22424%0.239CC..EExtended strand (participates in β ladder)trans-117.8134.3166.7-66.6-78.7000109.5T167 V168 Y169 I195 R196 F198 Y203T167-F205 HydrophobicContact CG2-CB 4.07Å; T167-F205 HydrophobicContact CG2-CD1 3.87Å; T167-F205 HydrophobicContact CG2-CG 4.36Å; V168-F205 CarbonylContact O-C 3.59Å; V168-F205 VanDerWaalsContact O-CA 3.3Å; V168-F205 WeakPolarHBondContact O-CA 3.41Å; Y169-F205 HydrophobicContact CD2-CD1 4.37Å; Y169-F205 AromaticContact CD2-CE1 3.72Å; Y169-F205 HydrophobicContact CD2-CE1 3.72Å; Y169-F205 AromaticContact CD2-CZ 3.95Å; Y169-F205 HydrophobicContact CD2-CZ 3.95Å; Y169-F205 HydrophobicContact CG-CE1 4.36Å; I195-F205 CarbonylContact C-O 3.57Å; I195-F205 WeakPolarHBondContact CA-O 3.18Å; R196-F205 HydrophobicContact CB-CB 4.48Å; R196-F205 PolarHBondContact N-O 3.32Å; R196-F205 PolarHBondContact O-N 2.71Å; F198-F205 HydrophobicContact CD2-CD2 4.21Å; F198-F205 HydrophobicContact CD2-CE2 4.4Å; F198-F205 AromaticContact CE2-CD2 3.75Å; F198-F205 HydrophobicContact CE2-CD2 3.75Å; F198-F205 AromaticContact CE2-CE2 4Å; F198-F205 HydrophobicContact CE2-CE2 4Å; Y203-F205 HydrophobicContact CD2-CD2 4.46Å; Y203-F205 HydrophobicContact CD2-CE2 4.02Å; Y203-F205 HydrophobicContact CE2-CD2 4.3Å; Y203-F205 AromaticContact CE2-CE2 3.61Å; Y203-F205 HydrophobicContact CE2-CE2 3.61Å; Y203-F205 HydrophobicContact CE2-CZ 4.26Å
206V96Very high92.3Very high0 Ų054.4 Ų54.40%025%0.251CS..EExtended strand (participates in β ladder)trans-121.8117.5174.6-178.30000107.8V168 V170 F186 I192 I195 F208V168-V206 PolarHBondContact N-O 3.12Å; V168-V206 PolarHBondContact O-N 3.43Å; V170-V206 HydrophobicContact CG2-CG2 3.94Å; F186-V206 HydrophobicContact CB-CG1 4.1Å; F186-V206 HydrophobicContact CD1-CB 4.21Å; F186-V206 HydrophobicContact CD1-CG1 3.96Å; F186-V206 HydrophobicContact CD1-CG2 4.27Å; F186-V206 HydrophobicContact CD2-CG2 4.28Å; F186-V206 HydrophobicContact CE1-CB 4.42Å; F186-V206 HydrophobicContact CE1-CG2 4.32Å; F186-V206 HydrophobicContact CE2-CG2 4.32Å; F186-V206 HydrophobicContact CG-CG1 4.07Å; F186-V206 HydrophobicContact CG-CG2 4.26Å; F186-V206 HydrophobicContact CZ-CG2 4.35Å; I192-V206 HydrophobicContact CD1-CG1 4.31Å; I192-V206 HydrophobicContact CG1-CG1 4.28Å; I192-V206 HydrophobicContact CG2-CG1 3.9Å; I195-V206 HydrophobicContact CG1-CG1 4.44Å; I195-V206 HydrophobicContact CG1-CG2 4.5Å; I195-V206 HydrophobicContact CG2-CG2 4.44Å; V206-F208 HydrophobicContact CG1-CD2 4.32Å; V206-F208 HydrophobicContact CG1-CE2 3.83Å; V206-F208 HydrophobicContact CG1-CZ 4.28Å
207R95.3Very high92.1Very high80 Ų8048.3 Ų48.330%0.30223%0.228SC..EExtended strand (participates in β ladder)trans-102.7125.8178.9-173.8177.6173.2-176.4-1.9110.2M166 I192 L193 E194M166-R207 WeakPolarHBondContact O-CA 3.49Å; I192-R207 CarbonylContact C-O 3.6Å; L193-R207 HydrophobicContact CB-CG 4.42Å; L193-R207 PolarHBondContact N-O 3.49Å; E194-R207 HydrophobicContact CB-CB 4.05Å; E194-R207 PolarHBondContact N-O 3.39Å; E194-R207 PolarHBondContact O-N 3.3Å
208F95.9Very high91.8Very high0 Ų046.8 Ų46.80%022%0.22CC..EExtended strand (participates in β ladder)trans-93.7165.4174.5-73.7-90.8000111.8M166 V168 F186 F189 S191 I192 L193 V206 N210 S213 A214 A217M166-F208 VanDerWaalsContact CB-O 3.32Å; M166-F208 WeakPolarHBondContact CB-O 3.48Å; M166-F208 PolarHBondContact O-N 3.09Å; V168-F208 HydrophobicContact CG2-CD2 4.14Å; V168-F208 HydrophobicContact CG2-CE2 4Å; F186-F208 HydrophobicContact CB-CZ 3.92Å; F186-F208 AromaticContact CD1-CE2 3.89Å; F186-F208 HydrophobicContact CD1-CE2 3.89Å; F186-F208 AromaticContact CD1-CZ 3.82Å; F186-F208 HydrophobicContact CD1-CZ 3.82Å; F186-F208 HydrophobicContact CG-CZ 4.38Å; F189-F208 HydrophobicContact CB-CE1 4.22Å; F189-F208 HydrophobicContact CB-CZ 4.34Å; S191-F208 WeakPolarHBondContact O-CA 3.3Å; I192-F208 HydrophobicContact CG1-CD1 4.43Å; I192-F208 HydrophobicContact CG1-CE1 4.05Å; I192-F208 HydrophobicContact CG1-CZ 4.44Å; L193-F208 WeakPolarHBondContact CD1-O 3.48Å; V206-F208 HydrophobicContact CG1-CD2 4.32Å; V206-F208 HydrophobicContact CG1-CE2 3.83Å; V206-F208 HydrophobicContact CG1-CZ 4.28Å; F208-N210 VanDerWaalsContact C-N 3.32Å; F208-N210 VanDerWaalsContact CB-O 3.32Å; F208-N210 WeakPolarHBondContact CB-O 3.19Å; F208-S213 VanDerWaalsContact CD1-CB 3.48Å; F208-A214 HydrophobicContact CB-CB 4.29Å; F208-A214 HydrophobicContact CD2-CB 3.78Å; F208-A214 HydrophobicContact CG-CB 4.3Å; F208-A217 HydrophobicContact CE2-CB 3.73Å; F208-A217 HydrophobicContact CZ-CB 3.71Å
209D93.1Very high91.3Very high65 Ų6547.8 Ų47.835%0.34823%0.227SC..SBendtrans-76.4-18.9171.664.4-11.9000113.5M166 S191 L193M166-D209 VanDerWaalsContact SD-O 3.37Å; S191-D209 WeakPolarHBondContact CB-OD2 3.23Å; S191-D209 PolarHBondContact O-N 2.86Å; S191-D209 PolarHBondContact OG-OD2 2.84Å; L193-D209 HydrophobicContact CD1-CB 4.4Å; L193-D209 HydrophobicContact CD2-CB 4.13Å; L193-D209 HydrophobicContact CG-CB 4.13Å
210N92.9Very high91Very high49 Ų4946.2 Ų46.226%0.26222%0.224SC..SBendtrans-143.2160.6176.868.576.5000112.1F208 E212 S213F208-N210 VanDerWaalsContact C-N 3.32Å; F208-N210 VanDerWaalsContact CB-O 3.32Å; F208-N210 WeakPolarHBondContact CB-O 3.19Å; N210-E212 PolarHBondContact OD1-N 2.93Å; N210-E212 PolarHBondContact OD1-OE2 2.78Å; N210-S213 PolarHBondContact ND2-OG 3.11Å; N210-S213 VanDerWaalsContact OD1-CB 3.23Å; N210-S213 WeakPolarHBondContact OD1-CB 3.35Å; N210-S213 PolarHBondContact OD1-N 3.2Å; N210-S213 PolarHBondContact OD1-OG 2.88Å
211K91.1Very high90.9Very high16 Ų1637.6 Ų37.67%0.0718%0.183CC..Hα-helixtrans-77-34.8-173.6-178.8171.6173.1172.10111.8M158 S161 S162 P163 N165 M166 S213 A214 A215 W235M158-K211 HydrophobicContact CE-CB 4.5Å; M158-K211 HydrophobicContact CE-CD 4.25Å; M158-K211 HydrophobicContact CE-CG 4.08Å; M158-K211 WeakPolarHBondContact O-CE 3.43Å; M158-K211 PolarHBondContact O-NZ 3.29Å; M158-K211 HydrophobicContact SD-CD 4.28Å; M158-K211 HydrophobicContact SD-CG 3.83Å; S161-K211 PolarHBondContact O-NZ 2.86Å; S161-K211 WeakPolarHBondContact OG-CE 3.34Å; S161-K211 PolarHBondContact OG-NZ 3.48Å; S161-K211 VanDerWaalsContact OG-NZ 3.13Å; S162-K211 VanDerWaalsContact C-NZ 3.33Å; S162-K211 PolarHBondContact O-NZ 3.22Å; P163-K211 WeakPolarHBondContact O-CD 3.27Å; N165-K211 WeakPolarHBondContact O-CG 3.24Å; M166-K211 HydrophobicContact CG-CB 4.42Å; K211-S213 VanDerWaalsContact C-N 3.3Å; K211-S213 PolarHBondContact O-N 3.37Å; K211-A214 WeakPolarHBondContact O-CB 3.29Å; K211-A214 PolarHBondContact O-N 2.84Å; K211-A214 VanDerWaalsContact O-N 3.16Å; K211-A215 PolarHBondContact O-N 3.42Å; K211-W235 HydrophobicContact CD-CH2 4.37Å; K211-W235 HydrophobicContact CG-CH2 3.59Å; K211-W235 HydrophobicContact CG-CZ2 4.34Å; K211-W235 HydrophobicContact CG-CZ3 4.24Å
212E91.3Very high90.4Very high93 Ų9335.5 Ų35.544%0.43518%0.178SC..Hα-helixtrans-60.5-43.1-179.3-64.367.7-15100110.6F154 M158 N210 A215 H216F154-E212 HydrophobicContact CZ-CB 4.25Å; M158-E212 HydrophobicContact CE-CG 3.89Å; M158-E212 WeakPolarHBondContact CE-OE1 3.46Å; N210-E212 PolarHBondContact OD1-N 2.93Å; N210-E212 PolarHBondContact OD1-OE2 2.78Å; E212-A215 PolarHBondContact O-N 3.29Å; E212-H216 WeakPolarHBondContact O-CB 3.3Å; E212-H216 PolarHBondContact O-CD2 3.5Å; E212-H216 PolarHBondContact O-N 2.92Å
213S93.4Very high89.7Confident9 Ų936.6 Ų36.66%0.06319%0.189CC..Hα-helixtrans-63.7-42.5176-58.70000111.5F189 F208 N210 K211 H216 A217F189-S213 VanDerWaalsContact O-CB 3.25Å; F189-S213 WeakPolarHBondContact O-CB 3.4Å; F189-S213 PolarHBondContact O-OG 3.25Å; F189-S213 VanDerWaalsContact O-OG 3.04Å; F208-S213 VanDerWaalsContact CD1-CB 3.48Å; N210-S213 PolarHBondContact ND2-OG 3.11Å; N210-S213 VanDerWaalsContact OD1-CB 3.23Å; N210-S213 WeakPolarHBondContact OD1-CB 3.35Å; N210-S213 PolarHBondContact OD1-N 3.2Å; N210-S213 PolarHBondContact OD1-OG 2.88Å; K211-S213 VanDerWaalsContact C-N 3.3Å; K211-S213 PolarHBondContact O-N 3.37Å; S213-H216 PolarHBondContact O-N 3.47Å; S213-A217 WeakPolarHBondContact O-CB 3.35Å; S213-A217 PolarHBondContact O-N 3.29Å
214A93.5Very high88.8Confident0 Ų034.6 Ų34.60%018%0.184CC..Hα-helixtrans-63.1-42.8174.900000111.9V168 F208 K211 A217 I218 W235V168-A214 HydrophobicContact CG2-CB 3.68Å; F208-A214 HydrophobicContact CB-CB 4.29Å; F208-A214 HydrophobicContact CD2-CB 3.78Å; F208-A214 HydrophobicContact CG-CB 4.3Å; K211-A214 WeakPolarHBondContact O-CB 3.29Å; K211-A214 PolarHBondContact O-N 2.84Å; K211-A214 VanDerWaalsContact O-N 3.16Å; A214-A217 WeakPolarHBondContact O-CB 3.46Å; A214-A217 PolarHBondContact O-N 2.86Å; A214-I218 WeakPolarHBondContact O-CG1 3.25Å; A214-I218 PolarHBondContact O-N 3.44Å; A214-W235 HydrophobicContact CB-CH2 3.84Å; A214-W235 HydrophobicContact CB-CZ3 3.58Å
215A89.8Confident88Confident0 Ų039.4 Ų39.40%021%0.21CC..Hα-helixtrans-65.5-43.8177.300000112.1F154 I157 M158 K211 E212 A217 I218 M219 W235F154-A215 HydrophobicContact CD2-CB 4.14Å; F154-A215 HydrophobicContact CE2-CB 3.56Å; F154-A215 HydrophobicContact CZ-CB 4.02Å; I157-A215 HydrophobicContact CG2-CB 3.79Å; M158-A215 HydrophobicContact CG-CB 3.97Å; M158-A215 HydrophobicContact SD-CB 3.42Å; M158-A215 WeakPolarHBondContact SD-CB 3.49Å; K211-A215 PolarHBondContact O-N 3.42Å; E212-A215 PolarHBondContact O-N 3.29Å; A215-A217 VanDerWaalsContact C-N 3.3Å; A215-A217 PolarHBondContact O-N 2.8Å; A215-I218 PolarHBondContact O-N 3.03Å; A215-M219 WeakPolarHBondContact O-CB 3.3Å; A215-M219 PolarHBondContact O-N 3.29Å; A215-W235 HydrophobicContact CB-CH2 4.05Å; A215-W235 HydrophobicContact CB-CZ2 3.89Å
216H88.8Confident87.3Confident76 Ų7637.4 Ų37.435%0.35220%0.201SC..Hα-helixtrans-60.4-40.7173.2-81.6-57.5000111.7F154 F189 E212 S213 M219 N220F154-H216 AromaticContact CD2-CE1 3.69Å; F154-H216 AromaticContact CD2-ND1 3.73Å; F154-H216 HydrophobicContact CE2-CB 4.45Å; F154-H216 AromaticContact CE2-CD2 3.54Å; F154-H216 AromaticContact CE2-CE1 3.48Å; F154-H216 VanDerWaalsContact CE2-CE1 3.48Å; F154-H216 WeakPolarHBondContact CE2-CE1 3.17Å; F154-H216 AromaticContact CE2-CG 3.62Å; F154-H216 AromaticContact CE2-ND1 3.59Å; F154-H216 AromaticContact CE2-NE2 3.46Å; F154-H216 WeakPolarHBondContact CE2-NE2 3.24Å; F154-H216 AromaticContact CZ-NE2 3.82Å; F189-H216 HydrophobicContact CB-CB 4.45Å; F189-H216 HydrophobicContact CD1-CB 3.93Å; F189-H216 HydrophobicContact CG-CB 4.5Å; E212-H216 WeakPolarHBondContact O-CB 3.3Å; E212-H216 PolarHBondContact O-CD2 3.5Å; E212-H216 PolarHBondContact O-N 2.92Å; S213-H216 PolarHBondContact O-N 3.47Å; H216-M219 PolarHBondContact O-N 3.09Å; H216-N220 WeakPolarHBondContact O-CB 3.5Å; H216-N220 PolarHBondContact O-N 2.72Å; H216-N220 PolarHBondContact O-ND2 2.87Å
217A90.2Very high86.4Confident0 Ų039.3 Ų39.30%022%0.221CC..Hα-helixtrans-64.2-43.9175.500000111.9F186 F189 F208 S213 A214 A215 M219 N220 V221F186-A217 HydrophobicContact CD1-CB 3.71Å; F186-A217 HydrophobicContact CE1-CB 3.93Å; F189-A217 HydrophobicContact CB-CB 4.26Å; F189-A217 HydrophobicContact CD2-CB 3.79Å; F189-A217 HydrophobicContact CE2-CB 4.38Å; F189-A217 HydrophobicContact CG-CB 4.07Å; F208-A217 HydrophobicContact CE2-CB 3.73Å; F208-A217 HydrophobicContact CZ-CB 3.71Å; S213-A217 WeakPolarHBondContact O-CB 3.35Å; S213-A217 PolarHBondContact O-N 3.29Å; A214-A217 WeakPolarHBondContact O-CB 3.46Å; A214-A217 PolarHBondContact O-N 2.86Å; A215-A217 VanDerWaalsContact C-N 3.3Å; A215-A217 PolarHBondContact O-N 2.8Å; A217-M219 VanDerWaalsContact C-N 3.31Å; A217-M219 PolarHBondContact O-N 3.04Å; A217-N220 PolarHBondContact O-N 2.8Å; A217-V221 HydrophobicContact CB-CG2 4.43Å; A217-V221 WeakPolarHBondContact O-CA 3.17Å; A217-V221 WeakPolarHBondContact O-CB 3.22Å; A217-V221 VanDerWaalsContact O-CG2 3.25Å; A217-V221 WeakPolarHBondContact O-CG2 3.48Å; A217-V221 PolarHBondContact O-N 3.34Å
218I87.8Confident85.5Confident12 Ų1238.4 Ų38.46%0.06224%0.237CC..Hα-helixtrans-57.8-46.5175.5-70.4163.2000110.7I157 V168 A214 A215 T222 C233 W235I157-I218 HydrophobicContact CD1-CG2 4.12Å; I157-I218 HydrophobicContact CG2-CB 4.18Å; I157-I218 HydrophobicContact CG2-CD1 4.18Å; I157-I218 HydrophobicContact CG2-CG2 4.07Å; V168-I218 HydrophobicContact CB-CG1 4.37Å; V168-I218 HydrophobicContact CG1-CD1 4.46Å; V168-I218 HydrophobicContact CG1-CG1 3.69Å; V168-I218 HydrophobicContact CG2-CD1 4.16Å; V168-I218 HydrophobicContact CG2-CG1 3.91Å; A214-I218 WeakPolarHBondContact O-CG1 3.25Å; A214-I218 PolarHBondContact O-N 3.44Å; A215-I218 PolarHBondContact O-N 3.03Å; I218-T222 WeakPolarHBondContact O-CB 3.19Å; I218-T222 PolarHBondContact O-N 3.23Å; I218-T222 PolarHBondContact O-OG1 2.56Å; I218-C233 HydrophobicContact CB-CB 4.4Å; I218-C233 HydrophobicContact CG1-CB 4.25Å; I218-W235 HydrophobicContact CD1-CD2 3.46Å; I218-W235 VanDerWaalsContact CD1-CD2 3.46Å; I218-W235 HydrophobicContact CD1-CE3 3.77Å; I218-W235 HydrophobicContact CD1-CG 3.89Å; I218-W235 HydrophobicContact CD1-CH2 4.21Å; I218-W235 HydrophobicContact CD1-CZ2 3.97Å; I218-W235 HydrophobicContact CD1-CZ3 4.13Å
219M81.4Confident84.4Confident76 Ų7639.4 Ų39.437%0.37424%0.244SC..Hα-helixtrans-65.2-41.6-177.8-167.1169.962.300112.8F154 I157 A215 H216 A217F154-M219 HydrophobicContact CB-CE 4.47Å; F154-M219 HydrophobicContact CB-SD 4.13Å; F154-M219 HydrophobicContact CD2-CE 4.25Å; I157-M219 HydrophobicContact CD1-CB 3.57Å; I157-M219 HydrophobicContact CD1-CG 3.97Å; I157-M219 HydrophobicContact CD1-SD 4.47Å; A215-M219 WeakPolarHBondContact O-CB 3.3Å; A215-M219 PolarHBondContact O-N 3.29Å; H216-M219 PolarHBondContact O-N 3.09Å; A217-M219 VanDerWaalsContact C-N 3.31Å; A217-M219 PolarHBondContact O-N 3.04Å
220N81.6Confident83.7Confident73 Ų7340.8 Ų40.839%0.3926%0.255SS..Hα-helixtrans-100.5-22.1-168.5-71.6-81.9000114.6F189 H216 A217F189-N220 HydrophobicContact CE1-CB 3.44Å; F189-N220 VanDerWaalsContact CE1-CB 3.44Å; F189-N220 HydrophobicContact CZ-CB 3.41Å; F189-N220 VanDerWaalsContact CZ-CB 3.41Å; H216-N220 WeakPolarHBondContact O-CB 3.5Å; H216-N220 PolarHBondContact O-N 2.72Å; H216-N220 PolarHBondContact O-ND2 2.87Å; A217-N220 PolarHBondContact O-N 2.8Å
221V85Confident83.2Confident4 Ų438.4 Ų38.42%0.02424%0.242CC..Hα-helixtrans-94.7-22.2-178.3-173.60000111.9F186 F189 A217 G223 A224 I226 V231F186-V221 HydrophobicContact CD1-CG2 4.46Å; F186-V221 HydrophobicContact CE1-CB 4.34Å; F186-V221 HydrophobicContact CE1-CG1 4.28Å; F186-V221 HydrophobicContact CE1-CG2 4.23Å; F186-V221 HydrophobicContact CE2-CG1 3.77Å; F186-V221 HydrophobicContact CZ-CB 4.13Å; F186-V221 HydrophobicContact CZ-CG1 3.6Å; F186-V221 HydrophobicContact CZ-CG2 4.32Å; F189-V221 HydrophobicContact CD2-CG2 4.09Å; F189-V221 HydrophobicContact CE2-CG2 3.2Å; F189-V221 HydrophobicContact CZ-CG2 3.72Å; A217-V221 HydrophobicContact CB-CG2 4.43Å; A217-V221 WeakPolarHBondContact O-CA 3.17Å; A217-V221 WeakPolarHBondContact O-CB 3.22Å; A217-V221 VanDerWaalsContact O-CG2 3.25Å; A217-V221 WeakPolarHBondContact O-CG2 3.48Å; A217-V221 PolarHBondContact O-N 3.34Å; V221-G223 PolarHBondContact O-N 3Å; V221-G223 VanDerWaalsContact O-N 3.14Å; V221-A224 HydrophobicContact CG1-CB 4.15Å; V221-A224 WeakPolarHBondContact O-CB 3.34Å; V221-A224 PolarHBondContact O-N 3.42Å; V221-I226 HydrophobicContact CG1-CD1 3.91Å; V221-V231 HydrophobicContact CG1-CG2 3.74Å
222T78.3Confident82.6Confident64 Ų6446.7 Ų46.739%0.39327%0.273SS..THydrogen-bonded Turntrans-57.9121.6173.6-63.10000110.4I218 C233I218-T222 WeakPolarHBondContact O-CB 3.19Å; I218-T222 PolarHBondContact O-N 3.23Å; I218-T222 PolarHBondContact O-OG1 2.56Å; T222-C233 VanDerWaalsContact OG1-CB 3.31Å; T222-C233 WeakPolarHBondContact OG1-CB 3.23Å; T222-C233 PolarHBondContact OG1-N 2.9Å; T222-C233 VanDerWaalsContact OG1-N 3.09Å; T222-C233 PolarHBondContact OG1-O 3.46Å
223G73.9Confident82.3Confident44 Ų4442.8 Ų42.845%0.45426%0.256SS..THydrogen-bonded Turntrans845.3-17500000114.9V221 V231V221-G223 PolarHBondContact O-N 3Å; V221-G223 VanDerWaalsContact O-N 3.14Å; G223-V231 WeakPolarHBondContact CA-O 3.42Å; G223-V231 PolarHBondContact N-O 3.28Å
224A74.4Confident82.1Confident14 Ų1445 Ų4512%0.11627%0.271CS..  trans-76.5146.6172.400000111.2V221 T230 V231V221-A224 HydrophobicContact CG1-CB 4.15Å; V221-A224 WeakPolarHBondContact O-CB 3.34Å; V221-A224 PolarHBondContact O-N 3.42Å; A224-T230 WeakPolarHBondContact O-CA 3.38Å; A224-V231 HydrophobicContact CB-CG2 4.49Å; A224-V231 WeakPolarHBondContact O-CG2 3.44Å; A224-V231 PolarHBondContact O-N 3.45Å
225D78.3Confident82Confident101 Ų10146.2 Ų46.254%0.5428%0.276SS..EExtended strand (participates in β ladder)trans-83.9124.4167.1-170.1-93.1000109.7G228 S229D225-G228 VanDerWaalsContact OD1-CA 3.27Å; D225-G228 WeakPolarHBondContact OD1-CA 3.32Å; D225-G228 PolarHBondContact OD1-N 3.13Å; D225-G228 WeakPolarHBondContact OD2-CA 3.38Å; D225-S229 WeakPolarHBondContact CA-O 3.42Å; D225-S229 PolarHBondContact OD2-N 2.81Å
226I81.9Confident81.9Confident9 Ų946.3 Ų46.35%0.04628%0.277CS..EExtended strand (participates in β ladder)trans-128.3116.6174.6-55.6-179.4000106.9V177 D181 L182 A185 F186 V221 G228 S229 V231V177-I226 HydrophobicContact CG1-CG2 3.95Å; V177-I226 WeakPolarHBondContact CG2-O 3.43Å; D181-I226 HydrophobicContact CB-CG2 3.8Å; L182-I226 HydrophobicContact CD2-CD1 4.05Å; L182-I226 HydrophobicContact CD2-CG2 4.25Å; A185-I226 HydrophobicContact CB-CD1 3.59Å; A185-I226 HydrophobicContact CB-CG1 4.09Å; F186-I226 HydrophobicContact CE2-CD1 3.93Å; V221-I226 HydrophobicContact CG1-CD1 3.91Å; I226-G228 PolarHBondContact O-N 2.79Å; I226-S229 PolarHBondContact N-O 3.06Å; I226-S229 PolarHBondContact O-N 2.74Å; I226-V231 HydrophobicContact CB-CG1 4.21Å; I226-V231 HydrophobicContact CD1-CG1 4.11Å; I226-V231 HydrophobicContact CD1-CG2 3.64Å; I226-V231 HydrophobicContact CG1-CG1 4.29Å; I226-V231 HydrophobicContact CG1-CG2 4.05Å
227G76.9Confident81.5Confident40 Ų4052.4 Ų52.441%0.41230%0.302SS..THydrogen-bonded Turntrans58.333.8-179.700000113.9S229G227-S229 VanDerWaalsContact C-N 3.31Å
228G76.1Confident80.5Confident62 Ų6258.1 Ų58.164%0.63933%0.329SS*.THydrogen-bonded Turntrans77.513.5-177.400000114.3D225 I226D225-G228 VanDerWaalsContact OD1-CA 3.27Å; D225-G228 WeakPolarHBondContact OD1-CA 3.32Å; D225-G228 PolarHBondContact OD1-N 3.13Å; D225-G228 WeakPolarHBondContact OD2-CA 3.38Å; I226-G228 PolarHBondContact O-N 2.79Å
229S73.5Confident79Confident21 Ų2160.3 Ų60.315%0.14736%0.355CS..EExtended strand (participates in β ladder)trans-122.1128.1177.5-51.20000110.7G172 G174 D225 I226 G227 V231G172-S229 VanDerWaalsContact O-CB 3.24Å; G172-S229 WeakPolarHBondContact O-CB 3.16Å; G174-S229 WeakPolarHBondContact CA-OG 3.42Å; G174-S229 PolarHBondContact N-OG 2.85Å; G174-S229 VanDerWaalsContact N-OG 3.13Å; D225-S229 WeakPolarHBondContact CA-O 3.42Å; D225-S229 PolarHBondContact OD2-N 2.81Å; I226-S229 PolarHBondContact N-O 3.06Å; I226-S229 PolarHBondContact O-N 2.74Å; G227-S229 VanDerWaalsContact C-N 3.31Å; S229-V231 PolarHBondContact O-N 3.05Å
230T78.7Confident76.9Confident93 Ų9363.6 Ų63.657%0.57137%0.374SS*.EExtended strand (participates in β ladder)trans-76113.5174.2-53.80000110.1A224A224-T230 WeakPolarHBondContact O-CA 3.38Å
231V81.3Confident74.8Confident0 Ų063.3 Ų63.30%037%0.372CS..  trans-91.6151.2-177.6-600000112.3V170 G171 V173 V221 G223 A224 I226 S229V170-V231 HydrophobicContact CG1-CB 3.71Å; V170-V231 HydrophobicContact CG1-CG1 3.9Å; V170-V231 HydrophobicContact CG1-CG2 4.21Å; G171-V231 CarbonylContact O-C 3.59Å; G171-V231 VanDerWaalsContact O-CA 3.24Å; G171-V231 WeakPolarHBondContact O-CA 3.39Å; V173-V231 HydrophobicContact CG2-CG1 4.32Å; V221-V231 HydrophobicContact CG1-CG2 3.74Å; G223-V231 WeakPolarHBondContact CA-O 3.42Å; G223-V231 PolarHBondContact N-O 3.28Å; A224-V231 HydrophobicContact CB-CG2 4.49Å; A224-V231 WeakPolarHBondContact O-CG2 3.44Å; A224-V231 PolarHBondContact O-N 3.45Å; I226-V231 HydrophobicContact CB-CG1 4.21Å; I226-V231 HydrophobicContact CD1-CG1 4.11Å; I226-V231 HydrophobicContact CD1-CG2 3.64Å; I226-V231 HydrophobicContact CG1-CG1 4.29Å; I226-V231 HydrophobicContact CG1-CG2 4.05Å; S229-V231 PolarHBondContact O-N 3.05Å
232R78.4Confident72.5Confident189 Ų18968.2 Ų68.271%0.71340%0.404SS*.EExtended strand (participates in β ladder)trans-121.5127.9170.5-66.9-161.1-71.2168.1-5.8109.7V170 G171V170-R232 CarbonylContact C-O 3.56Å; V170-R232 WeakPolarHBondContact CA-O 3.42Å; G171-R232 PolarHBondContact N-O 2.68Å; G171-R232 PolarHBondContact O-N 3.2Å
233C85.9Confident70.7Confident12 Ų1269.6 Ų69.68%0.08142%0.416CS..EExtended strand (participates in β ladder)trans-107.6141.8-176.7-56.80000110.9V168 Y169 I218 T222V168-C233 HydrophobicContact CG1-CB 3.84Å; Y169-C233 CarbonylContact O-C 3.57Å; Y169-C233 VanDerWaalsContact O-CA 3.26Å; Y169-C233 WeakPolarHBondContact O-CA 3.38Å; I218-C233 HydrophobicContact CB-CB 4.4Å; I218-C233 HydrophobicContact CG1-CB 4.25Å; T222-C233 VanDerWaalsContact OG1-CB 3.31Å; T222-C233 WeakPolarHBondContact OG1-CB 3.23Å; T222-C233 PolarHBondContact OG1-N 2.9Å; T222-C233 VanDerWaalsContact OG1-N 3.09Å; T222-C233 PolarHBondContact OG1-O 3.46Å
234S88.1Confident69Low54 Ų5470.2 Ų70.238%0.37841%0.414SS..EExtended strand (participates in β ladder)trans-151173.417265.70000109.6V168 Y169 G236V168-S234 CarbonylContact C-O 3.58Å; V168-S234 WeakPolarHBondContact CA-O 3.42Å; Y169-S234 WeakPolarHBondContact CD1-OG 3.36Å; Y169-S234 PolarHBondContact N-O 3.29Å; Y169-S234 PolarHBondContact O-N 2.88Å; S234-G236 PolarHBondContact O-N 2.79Å
235W91.5Very high67.1Low27 Ų2773.9 Ų73.910%0.10243%0.432CS..EExtended strand (participates in β ladder)trans-61.7134.8170.1-67.3111.6000111.1I157 S161 N165 K211 A214 A215 I218I157-W235 HydrophobicContact CG2-CZ2 3.79Å; I157-W235 PolarHBondContact O-NE1 3.35Å; S161-W235 VanDerWaalsContact OG-CD2 3.27Å; N165-W235 HydrophobicContact CB-CE3 4.38Å; N165-W235 VanDerWaalsContact O-CZ3 3.23Å; N165-W235 WeakPolarHBondContact O-CZ3 3.32Å; K211-W235 HydrophobicContact CD-CH2 4.37Å; K211-W235 HydrophobicContact CG-CH2 3.59Å; K211-W235 HydrophobicContact CG-CZ2 4.34Å; K211-W235 HydrophobicContact CG-CZ3 4.24Å; A214-W235 HydrophobicContact CB-CH2 3.84Å; A214-W235 HydrophobicContact CB-CZ3 3.58Å; A215-W235 HydrophobicContact CB-CH2 4.05Å; A215-W235 HydrophobicContact CB-CZ2 3.89Å; I218-W235 HydrophobicContact CD1-CD2 3.46Å; I218-W235 VanDerWaalsContact CD1-CD2 3.46Å; I218-W235 HydrophobicContact CD1-CE3 3.77Å; I218-W235 HydrophobicContact CD1-CG 3.89Å; I218-W235 HydrophobicContact CD1-CH2 4.21Å; I218-W235 HydrophobicContact CD1-CZ2 3.97Å; I218-W235 HydrophobicContact CD1-CZ3 4.13Å
236G88.6Confident65.3Low2 Ų274.3 Ų74.32%0.02144%0.437CS..PPolyproline II helixtrans-67.8139168.800000109.8N165 T167 S234 E238N165-G236 PolarHBondContact ND2-O 3.16Å; T167-G236 PolarHBondContact O-N 3.05Å; S234-G236 PolarHBondContact O-N 2.79Å; G236-E238 PolarHBondContact O-N 3.41Å
237K80.6Confident63.3Low203 Ų20377.4 Ų77.488%0.88347%0.465SS*.PPolyproline II helixtrans-62.8129.8172.1-67.7-174.1178.1-178.10108.6G239K237-G239 PolarHBondContact O-N 2.66Å
238E67.6Low61.4Low120 Ų12081.5 Ų81.556%0.56148%0.477SS*.  trans-68.382169.6-68.2166.6-149.200108.1S162 N165 G236S162-E238 WeakPolarHBondContact CB-OE1 3.5Å; S162-E238 PolarHBondContact N-OE1 2.78Å; S162-E238 PolarHBondContact OG-OE1 3.21Å; S162-E238 PolarHBondContact OG-OE2 3.47Å; N165-E238 HydrophobicContact CB-CG 4.42Å; N165-E238 VanDerWaalsContact CB-OE1 3.3Å; N165-E238 WeakPolarHBondContact CB-OE1 3.23Å; N165-E238 PolarHBondContact ND2-OE1 3.36Å; G236-E238 PolarHBondContact O-N 3.41Å
239G56.6Low59.6Low59 Ų5981.5 Ų81.561%0.60847%0.471SS*.  trans-69.6143.3165.500000108.6K237 N241K237-G239 PolarHBondContact O-N 2.66Å; G239-N241 VanDerWaalsContact C-N 3.3Å; G239-N241 PolarHBondContact O-N 3.49Å
240N37.1Very low57.8Low144 Ų14488.1 Ų88.177%0.7750%0.501SS*.  trans-41.896.9166.6-93.8-3.4000109.1P242N240-P242 VanDerWaalsContact O-CD 3.24Å; N240-P242 WeakPolarHBondContact O-CD 3.24Å
241N38Very low55.9Low67 Ų6791.8 Ų91.836%0.35851%0.512SS..  trans-72.6118.4171.9-169.710.6000104.5G239 S243 S244G239-N241 VanDerWaalsContact C-N 3.3Å; G239-N241 PolarHBondContact O-N 3.49Å; N241-S243 PolarHBondContact O-N 2.78Å; N241-S244 WeakPolarHBondContact CB-OG 3.1Å; N241-S244 PolarHBondContact O-N 2.88Å; N241-S244 PolarHBondContact O-OG 3.01Å; N241-S244 VanDerWaalsContact O-OG 3.08Å
242P38Very low53.8Low107 Ų10796 Ų9670%0.69554%0.542SS*.THydrogen-bonded Turntrans-56.5-20.7176-19.330.5000111.4N240N240-P242 VanDerWaalsContact O-CD 3.24Å; N240-P242 WeakPolarHBondContact O-CD 3.24Å
243S39.3Very low51.5Low93 Ų9397.4 Ų97.465%0.6555%0.549SS*.THydrogen-bonded Turntrans-87.2-10.5179.2-50.50000115.3N241N241-S243 PolarHBondContact O-N 2.78Å
244S38.6Very low49Very low57 Ų5799.9 Ų99.940%0.39958%0.576SS.*THydrogen-bonded Turntrans-95.7-8.2175.156.20000113.7N241 V246N241-S244 WeakPolarHBondContact CB-OG 3.1Å; N241-S244 PolarHBondContact O-N 2.88Å; N241-S244 PolarHBondContact O-OG 3.01Å; N241-S244 VanDerWaalsContact O-OG 3.08Å; S244-V246 VanDerWaalsContact C-N 3.28Å; S244-V246 PolarHBondContact O-N 2.97Å
245N33.4Very low46.4Very low92 Ų92108 Ų10849%0.49261%0.605SS.*THydrogen-bonded Turntrans-82.21.4177.1-79.1-15.8000114.3A249N245-A249 WeakPolarHBondContact O-CB 3.43Å
246V42Very low43.7Very low109 Ų109110.4 Ų110.466%0.66164%0.638SS**THydrogen-bonded Turntrans-98.5-27.5177.5-159.60000112.1S244S244-V246 VanDerWaalsContact C-N 3.28Å; S244-V246 PolarHBondContact O-N 2.97Å
247A39.4Very low41.3Very low75 Ų75119.9 Ų119.962%0.6268%0.679SS**THydrogen-bonded Turntrans-95.1-26.4-177.300000114.2
248N37Very low39.4Very low125 Ų125115.8 Ų115.867%0.66867%0.673SS**SBendtrans-106.6-5.7179-93.2-46000114.6
249A38.2Very low38Very low62 Ų62114 Ų11451%0.51268%0.679SS.*SBendtrans-89.3-6.1168.800000113N245N245-A249 WeakPolarHBondContact O-CB 3.43Å
250M36.3Very low37.2Very low160 Ų160117 Ų11779%0.78869%0.691SS**SBendtrans-93.80.5-178.8-159.5166.7151.800113.3
251Q38.7Very low37.3Very low170 Ų170113.8 Ų113.879%0.79469%0.691SS**SBendtrans-114.58.8177.7-70.5-170.3-14.700114.1
252S35.6Very low37.4Very low89 Ų89122.4 Ų122.462%0.62272%0.721SS**SBendtrans-1100.8175.4-172.10000114.6
253Y31.7Very low37.5Very low219 Ų219120.7 Ų120.786%0.85972%0.722SS**SBendtrans-13882.2173.7-73-79.4000110
254G31.9Very low37.5Very low63 Ų63122.3 Ų122.365%0.64972%0.723SS**  trans-145.598.5170.800000108.6
255F35.6Very low37.8Very low225 Ų225128.5 Ų128.599%0.98774%0.739SS**  trans173.4118.8137.6-96.6-70.5000109.2
256G34.4Very low38.1Very low77 Ų77129.1 Ų129.179%0.79475%0.751SS**  trans122.768.5158.400000117.6
257F37.1Very low38.7Very low202 Ų202130.6 Ų130.689%0.88676%0.76SS**  trans-70.6162.1151.1-84-81.2000109.6
258P40.7Very low39.9Very low117 Ų117132.6 Ų132.676%0.7677%0.767SS**  cis-144.3157.337.737.1-15.1000119.1
259A38.8Very low41.4Very low82 Ų82132.4 Ų132.468%0.67877%0.772SS**  trans31127.1134.600000117.8
260S40.1Very low43.2Very low123 Ų123135.1 Ų135.186%0.8679%0.785SS**  cis178.3156.247.6-49.40000108
261G38.5Very low44.9Very low76 Ų76133.1 Ų133.178%0.78478%0.784SS**  trans12794.914900000118.5
262Y40.5Very low46.4Very low248 Ų248130.6 Ų130.697%0.97378%0.782SS**  trans-3.3140.8148-81.4-97.9000121.8
263G39.8Very low48.1Very low70 Ų70132.3 Ų132.372%0.72279%0.791SS**  trans121.391.6144.800000115.2
264N39.5Very low49.4Very low127 Ų127128.2 Ų128.268%0.67979%0.791SS**  86.9140.290.3-151.94.2000115.1
265Y44.1Very low50.1Low187 Ų187132.8 Ų132.873%0.73380%0.801SS**  trans91.390.4169.4-48.9-70.6000120.8
266S40.2Very low50.6Low106 Ų106126.8 Ų126.874%0.74179%0.793SS**  20.1125129.453.80000121.6
267T55.4Low50.9Low139 Ų139125.7 Ų125.785%0.85378%0.781SS**  trans-156.7146132.742.50000111.1
268P64.2Low51.2Low117 Ų117127.7 Ų127.776%0.7679%0.785SS**PPolyproline II helixtrans-87.2165.817935.4-32.3000112.7
269P69.1Low51.2Low121 Ų121125 Ų12579%0.78678%0.778SS**PPolyproline II helixtrans-79.7156.9-17433.1-34.5000113.4
270P75Confident51.2Low119 Ų119133.4 Ų133.477%0.77379%0.792SS**PPolyproline II helixtrans-84.2159.7-177.334.1-34.1000113.8
271P73Confident51.3Low118 Ų118130.4 Ų130.477%0.76678%0.781SS**PPolyproline II helixtrans-87.4167.6179.336.5-34000113.1
272P70.1Confident51.5Low118 Ų118134.2 Ų134.277%0.76678%0.779SS**PPolyproline II helixtrans-80.8157.4-178.232.9-34.3000113.7
273P71.3Confident51.6Low124 Ų124132.1 Ų132.181%0.80577%0.771SS**PPolyproline II helixtrans-81.1156.6-175.531.5-34.2000114.7
274P59.1Low52Low133 Ų133138 Ų13886%0.86478%0.777SS**PPolyproline II helixtrans-96164.8-170.537-33.4000116.2
275N45.8Very low52.7Low160 Ų160137.4 Ų137.486%0.85678%0.78SS**PPolyproline II helixtrans-72.7146.6-176.7179.538.2000116.3
276A46.2Very low52.7Low99 Ų99133.6 Ų133.682%0.81879%0.787SS**  trans-175.9140.6152.600000108.2
277G41.1Very low53.2Low53 Ų53132 Ų13255%0.54679%0.787SS.*  cis155144.15.100000108.4
278Y42.2Very low52.8Low244 Ų244132.2 Ų132.296%0.95779%0.791SS**  trans74.2138.4167.2-52.2-83.2000118.4
279G41.9Very low51.8Low60 Ų60130.1 Ų130.162%0.61979%0.79SS**  cis177162.41.100000112.1
280W37.6Very low50.5Low259 Ų259134.7 Ų134.798%0.98179%0.794SS**  trans55139158.4-48.9106.1000119.6
281G42.7Very low49.2Very low61 Ų61137.3 Ų137.363%0.62979%0.793SS**  cis-178150.44.400000107.3
282Q43.6Very low48.4Very low156 Ų156137.5 Ų137.573%0.72980%0.795SS**  106.8132.9114.1-80.2-89.940.200116.2
283Y42.2Very low47.3Very low204 Ų204137.6 Ų137.680%0.880%0.795SS**  trans92.6113.6165.2-65.9-79.7000121.8
284F47.6Very low45.8Very low193 Ų193139.2 Ų139.285%0.84680%0.797SS**  trans-91.1-164.8-176.4-86.1-85.4000112.8
285P53.9Low45Very low115 Ų115137.4 Ų137.475%0.74779%0.793SS**  cis-141.3-176-39.833.8-14.6000115.7
286A45.1Very low44.6Very low107 Ų107133.2 Ų133.288%0.88479%0.788SS**  trans95.9126.7146.900000117.8
287G49.9Very low44.2Very low73 Ų73137.6 Ų137.675%0.75379%0.794SS**  cis161.6-169.53.400000108.1
288P48Very low44.2Very low142 Ų142146 Ų14692%0.92281%0.811SS**  -102.1175.5-61.537.5-22.1000110.8
289G41.9Very low44.5Very low73 Ų73139.9 Ų139.975%0.75380%0.801SS**  cis156.1118.217.500000106.8
290Y41.8Very low44.7Very low218 Ų218142.6 Ų142.686%0.85581%0.807SS**  trans-106.8128.5175.2-110.8-111000108.7
291F48.4Very low44.7Very low174 Ų174139 Ų13976%0.76380%0.801SS**  trans46.8139.6156-69-99000122.3
292P55.5Low44.7Very low122 Ų122145.4 Ų145.479%0.79282%0.815SS**  trans-130.5170.9137.132.3-15.9000113.2
293P47.9Very low44.6Very low119 Ų119146.1 Ų146.177%0.77382%0.818SS**  trans-118.1170.9-135.435.1-19.9000116.8
294N40.1Very low44.7Very low158 Ų158142.3 Ų142.385%0.84581%0.812SS**  trans43110.1142.8-165.440.4000119.4
295A41.5Very low44.7Very low96 Ų96137 Ų13779%0.79380%0.797SS**  trans-177134.1137.900000109.4
296G37Very low44.4Very low72 Ų72139.1 Ų139.174%0.74279%0.79SS**  trans-78.6-178.7-168.900000116.4
297M39.3Very low44.6Very low190 Ų190142.2 Ų142.294%0.93679%0.786SS**  trans174.9132.4141.2-98.3-169.2159.600109.5
298Y40.2Very low44.6Very low230 Ų230142.4 Ų142.490%0.90278%0.776SS**  trans-58.3155.5172.4-81-98.8000112
299P49.5Very low44.6Very low116 Ų116144.1 Ų144.175%0.75377%0.765SS**  -151.8-176.8114.538.5-21000113.3
300P45.9Very low44.8Very low116 Ų116151.4 Ų151.475%0.75377%0.77SS**  -114.4170.7-62.733.4-18.1000111.7Q302P300-Q302 PolarHBondContact O-N 3.08Å
301Q37.6Very low45.3Very low184 Ų184144.6 Ų144.686%0.8676%0.759SS**  trans-49.3119.8174.6-73.4166.4-15.900112.8Q303Q301-Q303 PolarHBondContact O-N 3.32Å
302Q42.7Very low45.2Very low195 Ų195143.4 Ų143.491%0.91176%0.761SS**  trans-82.8107.3160.6-81.8-178.17.900108.8P300P300-Q302 PolarHBondContact O-N 3.08Å
303Q41Very low44.7Very low172 Ų172146.4 Ų146.480%0.80476%0.764SS**  trans-62.9130.3166.3-80.9170.9-9.100109.8Q301 P305Q301-Q303 PolarHBondContact O-N 3.32Å; Q303-P305 VanDerWaalsContact O-CD 3.27Å; Q303-P305 WeakPolarHBondContact O-CD 3.38Å
304N44.9Very low44.3Very low124 Ų124143.7 Ų143.766%0.66376%0.758SS**  trans-61117.4174.5-115.619.6000110.3W306N304-W306 PolarHBondContact O-N 3.3Å
305P46.5Very low44.5Very low82 Ų82142 Ų14253%0.53276%0.755SS.*THydrogen-bonded Turntrans-69.32.7-179.8-17.831.1000115.3Q303 S308Q303-P305 VanDerWaalsContact O-CD 3.27Å; Q303-P305 WeakPolarHBondContact O-CD 3.38Å; P305-S308 PolarHBondContact O-OG 3.43Å
306W48.6Very low44.4Very low158 Ų158145.9 Ų145.960%0.59876%0.757SS**THydrogen-bonded Turntrans-98.9-6.4-164-53.8112.5000115.2N304N304-W306 PolarHBondContact O-N 3.3Å
307Q48.3Very low44.7Very low173 Ų173147.3 Ų147.381%0.80875%0.753SS**SBendtrans-80.1-23.8175.5-79.8-177.8-1.800113.3A311Q307-A311 WeakPolarHBondContact O-CB 3.16Å
308S50Low44.7Very low77 Ų77151.2 Ų151.254%0.53877%0.769SS.*SBendtrans-86.7-21177.948.60000113.7P305 W310P305-S308 PolarHBondContact O-OG 3.43Å; S308-W310 PolarHBondContact O-N 3.48Å
309Y48Very low45Very low177 Ų177147.3 Ų147.369%0.69476%0.763SS**THydrogen-bonded Turntrans-73.8-24.8-175.1-127.9-90.7000113.9
310W45.8Very low44.7Very low226 Ų226148.9 Ų148.986%0.85676%0.763SS**THydrogen-bonded Turntrans-105.8-7178.7-57.8103.3000113.5S308S308-W310 PolarHBondContact O-N 3.48Å
311A53.2Low44.7Very low76 Ų76150.8 Ų150.863%0.62876%0.764SS**THydrogen-bonded Turntrans-94.2-8.6-178.900000113.7Q307Q307-A311 WeakPolarHBondContact O-CB 3.16Å
312N46.3Very low45.1Very low148 Ų148148.8 Ų148.879%0.79176%0.758SS**SBendtrans-110.718.1-173-125.52.4000114.8
313Q44.8Very low45.2Very low186 Ų186145.9 Ų145.987%0.86975%0.749SS**  trans-112.871.2159.5-62.9-146.88.700108.5
314G39.2Very low45.5Very low61 Ų61144.2 Ų144.263%0.62975%0.745SS**  trans-61.7164.8167.400000112.1
315P44.5Very low45.6Very low123 Ų123145.6 Ų145.680%0.79975%0.751SS**  trans-86.8172.9-161.735.3-33.3000112.8
316Q39.9Very low45.5Very low177 Ų177150.5 Ų150.583%0.82777%0.768SS**  trans110.2161.2156.9-65.4-160.7-18.100117.2
317P42.9Very low45.2Very low103 Ų103149.9 Ų149.967%0.66978%0.782SS**  cis-143.1150.7-40.336.3-20.2000113.8
318Q40.1Very low45Very low272 Ų272147.8 Ų147.8100%1.27178%0.779SS**  -179.30116.1-97.9-173.649.400108.9

Retrieved 318 of 318 residues in 245.7 ms (Link to these results)

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