A0A077Z554_TRITR Loading...

Ubiquitin fusion degradation protein 1 like prote in

AlphaFold DB , UniProt , Accession A0A077Z554, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 252 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M85.2Confident89.4Confident138 Ų13862.6 Ų62.668%0.6835%0.352SS*.  01340-170.2173.8-176.700107.2F3 F24 L53M1-F3 HydrophobicContact CB-CE2 4.31Å; M1-F3 HydrophobicContact CE-CE1 3.88Å; M1-F3 HydrophobicContact CE-CE2 4.35Å; M1-F3 HydrophobicContact CE-CZ 3.45Å; M1-F3 VanDerWaalsContact CE-CZ 3.45Å; M1-F3 HydrophobicContact CG-CE2 3.75Å; M1-F3 HydrophobicContact CG-CZ 3.82Å; M1-F3 HydrophobicContact SD-CE2 3.99Å; M1-F3 HydrophobicContact SD-CZ 3.6Å; M1-F24 HydrophobicContact SD-CZ 4.31Å; M1-L53 HydrophobicContact CE-CD1 3.48Å; M1-L53 VanDerWaalsContact CE-CD1 3.48Å; M1-L53 HydrophobicContact CE-CD2 3.78Å; M1-L53 HydrophobicContact CE-CG 4.18Å; M1-L53 HydrophobicContact CG-CD1 3.56Å; M1-L53 HydrophobicContact SD-CD1 4.36Å
2M92.6Very high88.2Confident45 Ų4557.8 Ų57.822%0.22233%0.326CS..EExtended strand (participates in β ladder)trans-120.5141.9-173.9-46.6-68.1-102.700109.5L53 V54 L56 S89 C90M2-L53 WeakPolarHBondContact O-CD1 3.48Å; M2-V54 WeakPolarHBondContact CB-O 3.42Å; M2-V54 PolarHBondContact O-N 2.88Å; M2-V54 VanDerWaalsContact O-O 3.14Å; M2-L56 HydrophobicContact CB-CD1 4.32Å; M2-L56 HydrophobicContact CE-CD1 4.16Å; M2-S89 WeakPolarHBondContact CE-O 3.28Å; M2-C90 HydrophobicContact CE-CB 3.98Å; M2-C90 WeakPolarHBondContact CE-SG 3.15Å; M2-C90 PolarHBondContact SD-SG 2.96Å
3F95.1Very high87.3Confident25 Ų2567.5 Ų67.511%0.1136%0.362CS..EExtended strand (participates in β ladder)trans-124.6145.1179.7-62.6-89.5000110M1 H18 C19 V21 F24 V51 Q52 L53M1-F3 HydrophobicContact CB-CE2 4.31Å; M1-F3 HydrophobicContact CE-CE1 3.88Å; M1-F3 HydrophobicContact CE-CE2 4.35Å; M1-F3 HydrophobicContact CE-CZ 3.45Å; M1-F3 VanDerWaalsContact CE-CZ 3.45Å; M1-F3 HydrophobicContact CG-CE2 3.75Å; M1-F3 HydrophobicContact CG-CZ 3.82Å; M1-F3 HydrophobicContact SD-CE2 3.99Å; M1-F3 HydrophobicContact SD-CZ 3.6Å; F3-H18 CarbonylContact O-C 3.53Å; F3-H18 VanDerWaalsContact O-CA 3.24Å; F3-H18 WeakPolarHBondContact O-CA 3.42Å; F3-C19 PolarHBondContact N-O 3.42Å; F3-C19 PolarHBondContact O-N 3.5Å; F3-V21 HydrophobicContact CD2-CB 4.41Å; F3-V21 HydrophobicContact CD2-CG2 3.43Å; F3-V21 VanDerWaalsContact CD2-CG2 3.43Å; F3-V21 HydrophobicContact CE2-CB 3.95Å; F3-V21 HydrophobicContact CE2-CG2 3.18Å; F3-V21 HydrophobicContact CG-CG2 4.47Å; F3-V21 HydrophobicContact CZ-CG2 4.07Å; F3-F24 HydrophobicContact CE2-CZ 4.25Å; F3-F24 HydrophobicContact CZ-CE1 4.26Å; F3-F24 HydrophobicContact CZ-CZ 4.12Å; F3-V51 HydrophobicContact CB-CG1 4Å; F3-V51 HydrophobicContact CD1-CG1 3.69Å; F3-V51 HydrophobicContact CG-CG1 4.12Å; F3-Q52 CarbonylContact C-O 3.56Å; F3-Q52 VanDerWaalsContact CA-O 3.22Å; F3-Q52 WeakPolarHBondContact CA-O 3.23Å; F3-L53 HydrophobicContact CE1-CB 4.48Å; F3-L53 HydrophobicContact CE1-CD1 4.3Å
4K94.7Very high86.8Confident54 Ų5471.5 Ų71.524%0.23538%0.383CS..EExtended strand (participates in β ladder)trans-101.5118.4167.9179.7-176.9178.9-176.20107.6T6 F16 V51 Q52 V54K4-T6 HydrophobicContact CD-CG2 4.38Å; K4-T6 HydrophobicContact CG-CG2 4.24Å; K4-F16 HydrophobicContact CD-CD2 4.47Å; K4-F16 HydrophobicContact CG-CB 4.46Å; K4-F16 HydrophobicContact CG-CD2 4.38Å; K4-V51 WeakPolarHBondContact O-CA 3.45Å; K4-Q52 HydrophobicContact CB-CB 4.42Å; K4-Q52 PolarHBondContact N-O 2.94Å; K4-Q52 PolarHBondContact O-N 3.21Å; K4-V54 HydrophobicContact CB-CG2 3.63Å
5I94.4Very high87Confident4 Ų473.7 Ų73.72%0.02138%0.384CS..EExtended strand (participates in β ladder)trans-99.2127.8174.6-57.5-174.3000107.6F16 T17 C19 L33 L37 L41 V49 N50 V51I5-F16 CarbonylContact O-C 3.49Å; I5-F16 WeakPolarHBondContact O-CA 3.24Å; I5-F16 WeakPolarHBondContact O-CB 3.4Å; I5-T17 HydrophobicContact CB-CG2 4.26Å; I5-T17 PolarHBondContact N-O 3.36Å; I5-T17 PolarHBondContact O-N 2.87Å; I5-C19 WeakPolarHBondContact CD1-SG 3.27Å; I5-L33 HydrophobicContact CD1-CD1 4.24Å; I5-L33 HydrophobicContact CD1-CD2 3.41Å; I5-L33 VanDerWaalsContact CD1-CD2 3.41Å; I5-L33 HydrophobicContact CD1-CG 4.49Å; I5-L37 HydrophobicContact CD1-CD2 4.35Å; I5-L41 HydrophobicContact CB-CD1 4.23Å; I5-L41 HydrophobicContact CG2-CD1 3.63Å; I5-V49 HydrophobicContact CG2-CB 3.81Å; I5-V49 HydrophobicContact CG2-CG1 3.99Å; I5-V49 HydrophobicContact CG2-CG2 4.2Å; I5-N50 WeakPolarHBondContact CA-O 3.48Å; I5-V51 HydrophobicContact CG1-CG2 4.42Å
6T93.9Very high87.4Confident22 Ų2274.8 Ų74.814%0.13539%0.385CS..EExtended strand (participates in β ladder)trans-121.9129.4179.743.80000109.1K4 F16 V49 N50K4-T6 HydrophobicContact CD-CG2 4.38Å; K4-T6 HydrophobicContact CG-CG2 4.24Å; T6-F16 HydrophobicContact CG2-CB 3.58Å; T6-V49 WeakPolarHBondContact O-CA 3.23Å; T6-N50 PolarHBondContact N-O 2.96Å; T6-N50 PolarHBondContact O-N 2.97Å; T6-N50 VanDerWaalsContact OG1-CB 3.28Å; T6-N50 WeakPolarHBondContact OG1-CB 3.45Å; T6-N50 PolarHBondContact OG1-O 2.86Å
7N92.3Very high87.8Confident3 Ų370.4 Ų70.42%0.01636%0.362CS..EExtended strand (participates in β ladder)trans-74.1127.8171.6-170.5-12.4000108.9D9 A12 R15 L41 L43N7-D9 WeakPolarHBondContact OD1-CB 3.4Å; N7-D9 PolarHBondContact OD1-N 2.81Å; N7-D9 PolarHBondContact OD1-OD2 2.96Å; N7-A12 HydrophobicContact CB-CB 4.15Å; N7-A12 WeakPolarHBondContact ND2-CB 3.4Å; N7-R15 PolarHBondContact N-O 2.86Å; N7-L41 PolarHBondContact ND2-O 3.16Å; N7-L43 HydrophobicContact CB-CD2 4.07Å; N7-L43 WeakPolarHBondContact ND2-CD2 3.33Å
8L88.4Confident88.1Confident95 Ų9568 Ų6850%0.49735%0.349SS..  trans-85.8-13.4179.6-68.3172.9000113L48 N50L8-L48 HydrophobicContact CD1-CB 4.26Å; L8-N50 HydrophobicContact CD1-CB 4.15Å; L8-N50 HydrophobicContact CD2-CB 3.8Å; L8-N50 HydrophobicContact CG-CB 4.03Å
9D86.5Confident88.4Confident64 Ų6465.6 Ų65.634%0.34234%0.339SS..  trans-67.9126.2-178-68.9-30.6000111.3N7 S11 A12N7-D9 WeakPolarHBondContact OD1-CB 3.4Å; N7-D9 PolarHBondContact OD1-N 2.81Å; N7-D9 PolarHBondContact OD1-OD2 2.96Å; D9-S11 PolarHBondContact O-N 3.48Å; D9-S11 VanDerWaalsContact O-N 3.11Å; D9-A12 HydrophobicContact CB-CB 4.38Å; D9-A12 PolarHBondContact O-N 3.13Å
10P80.3Confident88.6Confident123 Ų12363.6 Ų63.680%0.79934%0.335SS*.G310 helixtrans-57.4-31179.4-25.133000113.4A12P10-A12 VanDerWaalsContact C-N 3.25Å; P10-A12 PolarHBondContact O-N 3.06Å
11S80.5Confident88.8Confident116 Ų11663.3 Ų63.381%0.81134%0.335SS*.G310 helixtrans-65.3-26.9179.2-58.30000113.1D9 K13D9-S11 PolarHBondContact O-N 3.48Å; D9-S11 VanDerWaalsContact O-N 3.11Å; S11-K13 VanDerWaalsContact C-N 3.35Å; S11-K13 PolarHBondContact O-N 3.3Å
12A74Confident89.1Confident5 Ų564.6 Ų64.64%0.04134%0.344CS..G310 helixtrans-90.812.7-170.400000114.4N7 D9 P10 N14 R15 L42N7-A12 HydrophobicContact CB-CB 4.15Å; N7-A12 WeakPolarHBondContact ND2-CB 3.4Å; D9-A12 HydrophobicContact CB-CB 4.38Å; D9-A12 PolarHBondContact O-N 3.13Å; P10-A12 VanDerWaalsContact C-N 3.25Å; P10-A12 PolarHBondContact O-N 3.06Å; A12-N14 VanDerWaalsContact C-N 3.26Å; A12-N14 PolarHBondContact O-N 2.79Å; A12-R15 VanDerWaalsContact O-CG 3.3Å; A12-R15 WeakPolarHBondContact O-CG 3.36Å; A12-R15 PolarHBondContact O-N 3.28Å; A12-L42 HydrophobicContact CB-CB 4.49Å
13K77.5Confident89.1Confident183 Ų18368.3 Ų68.380%0.79636%0.361SS*.THydrogen-bonded Turntrans5335.4175.5-59.1-177.1179.6179.70114.5S11 R15S11-K13 VanDerWaalsContact C-N 3.35Å; S11-K13 PolarHBondContact O-N 3.3Å; K13-R15 PolarHBondContact O-N 2.77Å
14N79.8Confident88.9Confident124 Ų12474.6 Ų74.666%0.66339%0.389SS*.THydrogen-bonded Turntrans52.339.6-179.1-63.7-28.4000113.4A12A12-N14 VanDerWaalsContact C-N 3.26Å; A12-N14 PolarHBondContact O-N 2.79Å
15R89.9Confident88.7Confident105 Ų10577.9 Ų77.940%0.39640%0.404SS..  trans-60.3141.2173-78.2-176.2-173.4-161.22.3110.4N7 A12 K13 N40 L41N7-R15 PolarHBondContact N-O 2.86Å; A12-R15 VanDerWaalsContact O-CG 3.3Å; A12-R15 WeakPolarHBondContact O-CG 3.36Å; A12-R15 PolarHBondContact O-N 3.28Å; K13-R15 PolarHBondContact O-N 2.77Å; R15-N40 VanDerWaalsContact CD-O 3.23Å; R15-N40 WeakPolarHBondContact CD-O 3.42Å; R15-N40 PolarHBondContact NH1-O 3.18Å; R15-L41 HydrophobicContact CB-CD2 4.18Å
16F93Very high88.5Confident90 Ų9080.6 Ų80.640%0.39542%0.417SS..EExtended strand (participates in β ladder)trans-140.8153.1177.971.1-93.5000110.3K4 I5 T6 H18 T92K4-F16 HydrophobicContact CD-CD2 4.47Å; K4-F16 HydrophobicContact CG-CB 4.46Å; K4-F16 HydrophobicContact CG-CD2 4.38Å; I5-F16 CarbonylContact O-C 3.49Å; I5-F16 WeakPolarHBondContact O-CA 3.24Å; I5-F16 WeakPolarHBondContact O-CB 3.4Å; T6-F16 HydrophobicContact CG2-CB 3.58Å; F16-H18 AromaticContact CD2-CE1 3.93Å; F16-H18 AromaticContact CE2-CE1 3.66Å; F16-T92 HydrophobicContact CD2-CG2 4.26Å; F16-T92 HydrophobicContact CE2-CG2 3.8Å
17T93.7Very high88.3Confident0 Ų084.6 Ų84.60%044%0.441CS..EExtended strand (participates in β ladder)trans-142.6155.5175.6-177.20000108.8I5 L37 L41 D95I5-T17 HydrophobicContact CB-CG2 4.26Å; I5-T17 PolarHBondContact N-O 3.36Å; I5-T17 PolarHBondContact O-N 2.87Å; T17-L37 HydrophobicContact CG2-CD1 3.75Å; T17-L37 HydrophobicContact CG2-CD2 4Å; T17-L37 HydrophobicContact CG2-CG 3.83Å; T17-L41 HydrophobicContact CG2-CD1 3.67Å; T17-L41 HydrophobicContact CG2-CD2 3.8Å; T17-L41 HydrophobicContact CG2-CG 3.83Å; T17-D95 PolarHBondContact OG1-OD2 2.7Å
18H94.2Very high88.2Confident28 Ų2893.3 Ų93.313%0.1348%0.482CS..EExtended strand (participates in β ladder)trans-104137.3173.4-5787.6000109.9F3 F16 L56 C90 T92F3-H18 CarbonylContact O-C 3.53Å; F3-H18 VanDerWaalsContact O-CA 3.24Å; F3-H18 WeakPolarHBondContact O-CA 3.42Å; F16-H18 AromaticContact CD2-CE1 3.93Å; F16-H18 AromaticContact CE2-CE1 3.66Å; H18-L56 HydrophobicContact CB-CD1 3.84Å; H18-C90 HydrophobicContact CB-CB 3.92Å; H18-C90 WeakPolarHBondContact O-CB 3.36Å; H18-T92 PolarHBondContact N-OG1 2.94Å; H18-T92 WeakPolarHBondContact ND1-CG2 3.34Å; H18-T92 PolarHBondContact ND1-OG1 2.95Å
19C93.1Very high88.3Confident23 Ų2392.4 Ų92.416%0.15550%0.495CS..EExtended strand (participates in β ladder)trans-141.1153.9177.864.50000111.3F3 I5 L37 C90F3-C19 PolarHBondContact N-O 3.42Å; F3-C19 PolarHBondContact O-N 3.5Å; I5-C19 WeakPolarHBondContact CD1-SG 3.27Å; C19-L37 HydrophobicContact CB-CD1 4.2Å; C19-C90 VanDerWaalsContact CA-SG 3.59Å
20G93.2Very high88.5Confident24 Ų2494.6 Ų94.625%0.24751%0.506CS..EExtended strand (participates in β ladder)trans-83.3170.6163.600000110.8S89 C90G20-S89 VanDerWaalsContact CA-OG 3.3Å; G20-S89 WeakPolarHBondContact CA-OG 3.36Å; G20-S89 PolarHBondContact N-OG 2.98Å; G20-C90 PolarHBondContact N-SG 2.65Å
21V92.7Very high89.1Confident58 Ų5891.9 Ų91.935%0.35249%0.49SS..  trans-106.9135.6167.7169.30000108.9F3 E23 F24F3-V21 HydrophobicContact CD2-CB 4.41Å; F3-V21 HydrophobicContact CD2-CG2 3.43Å; F3-V21 VanDerWaalsContact CD2-CG2 3.43Å; F3-V21 HydrophobicContact CE2-CB 3.95Å; F3-V21 HydrophobicContact CE2-CG2 3.18Å; F3-V21 HydrophobicContact CG-CG2 4.47Å; F3-V21 HydrophobicContact CZ-CG2 4.07Å; V21-E23 WeakPolarHBondContact CG1-O 3.28Å; V21-F24 HydrophobicContact CB-CE1 4.19Å; V21-F24 HydrophobicContact CB-CE2 4.21Å; V21-F24 HydrophobicContact CB-CZ 3.78Å; V21-F24 HydrophobicContact CG1-CD1 4Å; V21-F24 HydrophobicContact CG1-CD2 3.95Å; V21-F24 HydrophobicContact CG1-CE1 3.66Å; V21-F24 HydrophobicContact CG1-CE2 3.6Å; V21-F24 HydrophobicContact CG1-CG 4.15Å; V21-F24 HydrophobicContact CG1-CZ 3.46Å; V21-F24 VanDerWaalsContact CG1-CZ 3.46Å; V21-F24 HydrophobicContact CG2-CE1 4.03Å; V21-F24 HydrophobicContact CG2-CZ 4Å
22L91.4Very high89.7Confident166 Ų16694.8 Ų94.887%0.86948%0.484SS*.SBendtrans-82.2-55.6172.3-174.362.2000110.1
23E92.4Very high90.5Very high123 Ų12396.1 Ų96.158%0.57549%0.49SS*.  trans-148.4155.8-176.2-71174.7-168.800111.8V21 H25V21-E23 WeakPolarHBondContact CG1-O 3.28Å; E23-H25 WeakPolarHBondContact CB-ND1 3.3Å; E23-H25 IonicContact OE2-CE1 3.35Å; E23-H25 PolarHBondContact OE2-CE1 3.41Å; E23-H25 IonicContact OE2-CG 3.98Å; E23-H25 IonicContact OE2-ND1 2.86Å; E23-H25 PolarHBondContact OE2-ND1 3.35Å
24F90.8Very high91.1Very high157 Ų15790.4 Ų90.469%0.68947%0.472SS*.  trans-114.662.6177.5-62.2-83.6000110.6M1 F3 V21M1-F24 HydrophobicContact SD-CZ 4.31Å; F3-F24 HydrophobicContact CE2-CZ 4.25Å; F3-F24 HydrophobicContact CZ-CE1 4.26Å; F3-F24 HydrophobicContact CZ-CZ 4.12Å; V21-F24 HydrophobicContact CB-CE1 4.19Å; V21-F24 HydrophobicContact CB-CE2 4.21Å; V21-F24 HydrophobicContact CB-CZ 3.78Å; V21-F24 HydrophobicContact CG1-CD1 4Å; V21-F24 HydrophobicContact CG1-CD2 3.95Å; V21-F24 HydrophobicContact CG1-CE1 3.66Å; V21-F24 HydrophobicContact CG1-CE2 3.6Å; V21-F24 HydrophobicContact CG1-CG 4.15Å; V21-F24 HydrophobicContact CG1-CZ 3.46Å; V21-F24 VanDerWaalsContact CG1-CZ 3.46Å; V21-F24 HydrophobicContact CG2-CE1 4.03Å; V21-F24 HydrophobicContact CG2-CZ 4Å
25H90.3Very high91.5Very high122 Ų12290.8 Ų90.857%0.56547%0.469SS*.  trans-107.7-0.5179.365.4-101000113.3E23E23-H25 WeakPolarHBondContact CB-ND1 3.3Å; E23-H25 IonicContact OE2-CE1 3.35Å; E23-H25 PolarHBondContact OE2-CE1 3.41Å; E23-H25 IonicContact OE2-CG 3.98Å; E23-H25 IonicContact OE2-ND1 2.86Å; E23-H25 PolarHBondContact OE2-ND1 3.35Å
26Q90Very high91.4Very high62 Ų6289.3 Ų89.329%0.2946%0.464SS..SBendtrans-81.9153-177.5-70-52.1-48.800113.2Y32Q26-Y32 HydrophobicContact CG-CD2 3.68Å; Q26-Y32 HydrophobicContact CG-CE2 3.95Å
27V90.9Very high91.3Very high105 Ų10585.2 Ų85.264%0.63645%0.446SS*.PPolyproline II helixtrans-63.5144.3173.5-178.20000109.3L30V27-L30 HydrophobicContact CB-CD1 4.35Å; V27-L30 PolarHBondContact O-N 3.11Å; V27-L30 VanDerWaalsContact O-N 3.11Å
28E89.9Confident91.1Very high187 Ų18787.4 Ų87.487%0.87446%0.457SS*.THydrogen-bonded Turntrans-54.7140.8177.1-62.2-179.2170.100111.5L30E28-L30 PolarHBondContact O-N 3.01Å
29G89.8Confident90.9Very high75 Ų7589.9 Ų89.977%0.77347%0.471SS*.THydrogen-bonded Turntrans80.1-4.4-175.600000115.1
30L91.7Very high90.6Very high111 Ų11189.4 Ų89.458%0.58147%0.467SS*.  trans-116.9139.5175.1-65172.1000111V27 E28V27-L30 HydrophobicContact CB-CD1 4.35Å; V27-L30 PolarHBondContact O-N 3.11Å; V27-L30 VanDerWaalsContact O-N 3.11Å; E28-L30 PolarHBondContact O-N 3.01Å
31C91.8Very high90.5Very high66 Ų6688.3 Ų88.345%0.44646%0.455SS..  trans-135142.7169.768.20000110
32Y93.4Very high90.4Very high176 Ų17690 Ų9069%0.6946%0.462SS*.  trans-99.5128.5172.8-69.5-47.3000110.2Q26Q26-Y32 HydrophobicContact CG-CD2 3.68Å; Q26-Y32 HydrophobicContact CG-CE2 3.95Å
33L91.8Very high90.3Very high33 Ų3383 Ų8317%0.17343%0.425CS..  trans-116.3145.4177.3-57.2179.4000109I5 L37 M38 L43I5-L33 HydrophobicContact CD1-CD1 4.24Å; I5-L33 HydrophobicContact CD1-CD2 3.41Å; I5-L33 VanDerWaalsContact CD1-CD2 3.41Å; I5-L33 HydrophobicContact CD1-CG 4.49Å; L33-L37 HydrophobicContact CB-CD2 3.91Å; L33-L37 HydrophobicContact CD1-CD2 3.72Å; L33-L37 HydrophobicContact CD2-CD2 3.96Å; L33-L37 HydrophobicContact CG-CD2 4.06Å; L33-M38 HydrophobicContact CB-CE 4.4Å; L33-M38 HydrophobicContact CB-CG 4.02Å; L33-M38 WeakPolarHBondContact O-CE 3.49Å; L33-L43 HydrophobicContact CD1-CD1 4.07Å
34P89.8Confident90.1Very high63 Ų6381.9 Ų81.941%0.40943%0.43SS..  trans-61.1146.9169.1-24.335.1000111.4W36 L37 M38P34-W36 VanDerWaalsContact C-N 3.28Å; P34-W36 VanDerWaalsContact CB-CD1 3.47Å; P34-W36 HydrophobicContact CB-CD2 4.49Å; P34-W36 HydrophobicContact CB-CG 4.25Å; P34-W36 HydrophobicContact CG-CZ2 4.46Å; P34-W36 PolarHBondContact O-N 2.9Å; P34-L37 WeakPolarHBondContact O-CB 3.12Å; P34-L37 PolarHBondContact O-N 3.1Å; P34-M38 PolarHBondContact O-N 2.85Å; P34-M38 VanDerWaalsContact O-N 3.13Å
35H88.3Confident90.2Very high132 Ų13283.1 Ų83.161%0.61144%0.438SS*.Hα-helixtrans-54.9-41.3-178.7-177.266.7000113.2L37 M38 N39H35-L37 VanDerWaalsContact C-N 3.25Å; H35-L37 PolarHBondContact O-N 2.91Å; H35-M38 WeakPolarHBondContact O-CB 3.37Å; H35-M38 PolarHBondContact O-N 2.97Å; H35-N39 PolarHBondContact CD2-ND2 3.49Å; H35-N39 PolarHBondContact NE2-ND2 3.22Å; H35-N39 PolarHBondContact O-N 2.82Å
36W87.6Confident90.1Very high75 Ų7581.3 Ų81.328%0.28445%0.452SS..Hα-helixtrans-60.2-35.117766.1-98.2000112.7P34 N39 N40 F88 F97P34-W36 VanDerWaalsContact C-N 3.28Å; P34-W36 VanDerWaalsContact CB-CD1 3.47Å; P34-W36 HydrophobicContact CB-CD2 4.49Å; P34-W36 HydrophobicContact CB-CG 4.25Å; P34-W36 HydrophobicContact CG-CZ2 4.46Å; P34-W36 PolarHBondContact O-N 2.9Å; W36-N39 PolarHBondContact O-N 2.87Å; W36-N40 PolarHBondContact O-N 3.22Å; W36-F88 HydrophobicContact CH2-CD1 4.4Å; W36-F88 HydrophobicContact CH2-CE1 4.15Å; W36-F88 HydrophobicContact CZ2-CD1 4.25Å; W36-F88 AromaticContact CZ2-CE1 3.77Å; W36-F88 HydrophobicContact CZ2-CE1 3.77Å; W36-F97 HydrophobicContact CE3-CB 4.2Å; W36-F97 HydrophobicContact CZ3-CB 4.28Å
37L90.1Very high90Very high3 Ų379.9 Ų79.92%0.01645%0.454CS..Hα-helixtrans-75.6-36.4-179.4-170.8134.3000111I5 T17 C19 L33 P34 H35 N39 N40 L41I5-L37 HydrophobicContact CD1-CD2 4.35Å; T17-L37 HydrophobicContact CG2-CD1 3.75Å; T17-L37 HydrophobicContact CG2-CD2 4Å; T17-L37 HydrophobicContact CG2-CG 3.83Å; C19-L37 HydrophobicContact CB-CD1 4.2Å; L33-L37 HydrophobicContact CB-CD2 3.91Å; L33-L37 HydrophobicContact CD1-CD2 3.72Å; L33-L37 HydrophobicContact CD2-CD2 3.96Å; L33-L37 HydrophobicContact CG-CD2 4.06Å; P34-L37 WeakPolarHBondContact O-CB 3.12Å; P34-L37 PolarHBondContact O-N 3.1Å; H35-L37 VanDerWaalsContact C-N 3.25Å; H35-L37 PolarHBondContact O-N 2.91Å; L37-N39 VanDerWaalsContact C-N 3.34Å; L37-N40 PolarHBondContact O-N 3.2Å; L37-L41 HydrophobicContact CD2-CD1 3.88Å; L37-L41 WeakPolarHBondContact O-CG 3.16Å; L37-L41 PolarHBondContact O-N 3.49Å; L37-L41 VanDerWaalsContact O-N 3.1Å
38M90.3Very high90Very high46 Ų4679.8 Ų79.823%0.22745%0.449CS..Hα-helixtrans-60.3-44.7169.4-60.2-172.6-137.200111.1L33 P34 H35 N40 L41 L42 L43L33-M38 HydrophobicContact CB-CE 4.4Å; L33-M38 HydrophobicContact CB-CG 4.02Å; L33-M38 WeakPolarHBondContact O-CE 3.49Å; P34-M38 PolarHBondContact O-N 2.85Å; P34-M38 VanDerWaalsContact O-N 3.13Å; H35-M38 WeakPolarHBondContact O-CB 3.37Å; H35-M38 PolarHBondContact O-N 2.97Å; M38-N40 PolarHBondContact O-N 2.72Å; M38-L41 CarbonylContact O-C 3.25Å; M38-L41 PolarHBondContact O-N 3.09Å; M38-L42 PolarHBondContact O-N 3.33Å; M38-L43 HydrophobicContact CB-CB 4.29Å; M38-L43 PolarHBondContact O-N 3.02Å
39N88.6Confident90.1Very high81 Ų8172.4 Ų72.443%0.43342%0.417SS..Hα-helixtrans-62.5-40.6177.8-69.1-12.4000112.1H35 W36 L37 L41 L42H35-N39 PolarHBondContact CD2-ND2 3.49Å; H35-N39 PolarHBondContact NE2-ND2 3.22Å; H35-N39 PolarHBondContact O-N 2.82Å; W36-N39 PolarHBondContact O-N 2.87Å; L37-N39 VanDerWaalsContact C-N 3.34Å; N39-L41 PolarHBondContact O-N 3.49Å; N39-L42 PolarHBondContact O-N 2.83Å
40N88.3Confident90.3Very high12 Ų1271.7 Ų71.76%0.06440%0.395CS..Hα-helixtrans-60-45.6175.1-75.8-13000112.4R15 W36 L37 M38 L42 M96R15-N40 VanDerWaalsContact CD-O 3.23Å; R15-N40 WeakPolarHBondContact CD-O 3.42Å; R15-N40 PolarHBondContact NH1-O 3.18Å; W36-N40 PolarHBondContact O-N 3.22Å; L37-N40 PolarHBondContact O-N 3.2Å; M38-N40 PolarHBondContact O-N 2.72Å; N40-L42 VanDerWaalsContact C-N 3.26Å; N40-L42 PolarHBondContact O-N 3.04Å; N40-M96 VanDerWaalsContact CG-O 3.26Å; N40-M96 PolarHBondContact ND2-N 2.82Å; N40-M96 PolarHBondContact ND2-O 2.72Å; N40-M96 WeakPolarHBondContact OD1-CB 3.35Å; N40-M96 PolarHBondContact OD1-N 3.34Å; N40-M96 PolarHBondContact OD1-O 2.85Å
41L90.3Very high90.4Very high1 Ų169.7 Ų69.71%0.00539%0.387CS..Hα-helixtrans-79.8-6.1-179.5-67.5178.1000113.5I5 N7 R15 T17 L37 M38 N39 L43I5-L41 HydrophobicContact CB-CD1 4.23Å; I5-L41 HydrophobicContact CG2-CD1 3.63Å; N7-L41 PolarHBondContact ND2-O 3.16Å; R15-L41 HydrophobicContact CB-CD2 4.18Å; T17-L41 HydrophobicContact CG2-CD1 3.67Å; T17-L41 HydrophobicContact CG2-CD2 3.8Å; T17-L41 HydrophobicContact CG2-CG 3.83Å; L37-L41 HydrophobicContact CD2-CD1 3.88Å; L37-L41 WeakPolarHBondContact O-CG 3.16Å; L37-L41 PolarHBondContact O-N 3.49Å; L37-L41 VanDerWaalsContact O-N 3.1Å; M38-L41 CarbonylContact O-C 3.25Å; M38-L41 PolarHBondContact O-N 3.09Å; N39-L41 PolarHBondContact O-N 3.49Å; L41-L43 VanDerWaalsContact C-N 3.26Å; L41-L43 HydrophobicContact CB-CD1 3.62Å; L41-L43 HydrophobicContact CB-CG 3.7Å; L41-L43 HydrophobicContact CD1-CD1 3.54Å; L41-L43 HydrophobicContact CD1-CG 4.48Å; L41-L43 HydrophobicContact CG-CD1 4.25Å; L41-L43 PolarHBondContact O-N 3.1Å
42L90.7Very high90.6Very high94 Ų9470.6 Ų70.649%0.49239%0.385SS..THydrogen-bonded Turntrans54.642.8-172-55.9173.8000112A12 M38 N39 N40A12-L42 HydrophobicContact CB-CB 4.49Å; M38-L42 PolarHBondContact O-N 3.33Å; N39-L42 PolarHBondContact O-N 2.83Å; N40-L42 VanDerWaalsContact C-N 3.26Å; N40-L42 PolarHBondContact O-N 3.04Å
43L90.3Very high90.7Very high19 Ų1967.6 Ų67.610%0.09938%0.38CS..PPolyproline II helixtrans-89.7142.6177.7-70.1166.1000110.8N7 L33 M38 L41 V49N7-L43 HydrophobicContact CB-CD2 4.07Å; N7-L43 WeakPolarHBondContact ND2-CD2 3.33Å; L33-L43 HydrophobicContact CD1-CD1 4.07Å; M38-L43 HydrophobicContact CB-CB 4.29Å; M38-L43 PolarHBondContact O-N 3.02Å; L41-L43 VanDerWaalsContact C-N 3.26Å; L41-L43 HydrophobicContact CB-CD1 3.62Å; L41-L43 HydrophobicContact CB-CG 3.7Å; L41-L43 HydrophobicContact CD1-CD1 3.54Å; L41-L43 HydrophobicContact CD1-CG 4.48Å; L41-L43 HydrophobicContact CG-CD1 4.25Å; L41-L43 PolarHBondContact O-N 3.1Å; L43-V49 HydrophobicContact CD1-CG1 3.38Å; L43-V49 HydrophobicContact CD2-CG1 3.55Å; L43-V49 HydrophobicContact CG-CG1 4.12Å
44C88.4Confident90.8Very high99 Ų9967.9 Ų67.967%0.66938%0.383SS*.PPolyproline II helixtrans-95.8160.4164.4-64.20000110.2G46 G47C44-G46 PolarHBondContact O-N 3.46Å; C44-G47 PolarHBondContact O-N 3.39Å
45E90.9Very high91Very high184 Ų18474.7 Ų74.786%0.8641%0.407SS*.THydrogen-bonded Turntrans-56.4132.4171.6-63.4176.6-177.900110.2G47E45-G47 VanDerWaalsContact C-N 3.26Å; E45-G47 PolarHBondContact O-N 2.88Å
46G88.9Confident91.2Very high83 Ų8371.6 Ų71.686%0.85639%0.394SS*.THydrogen-bonded Turntrans78.71.6-173.900000115.2C44C44-G46 PolarHBondContact O-N 3.46Å
47G88.3Confident91.4Very high32 Ų3273.1 Ų73.133%0.3341%0.414SS..  trans-63.2143.7173.900000112.6C44 E45C44-G47 PolarHBondContact O-N 3.39Å; E45-G47 VanDerWaalsContact C-N 3.26Å; E45-G47 PolarHBondContact O-N 2.88Å
48L90.7Very high91.4Very high103 Ų10380.8 Ų80.854%0.53945%0.453SS..  trans-84.2133.3178.2-67.4174.1000110.6L8L8-L48 HydrophobicContact CD1-CB 4.26Å
49V92.7Very high91.3Very high32 Ų3280.7 Ų80.719%0.19446%0.464CS..EExtended strand (participates in β ladder)trans-127.1144.7177.2-67.10000110.4I5 T6 L43 V51I5-V49 HydrophobicContact CG2-CB 3.81Å; I5-V49 HydrophobicContact CG2-CG1 3.99Å; I5-V49 HydrophobicContact CG2-CG2 4.2Å; T6-V49 WeakPolarHBondContact O-CA 3.23Å; L43-V49 HydrophobicContact CD1-CG1 3.38Å; L43-V49 HydrophobicContact CD2-CG1 3.55Å; L43-V49 HydrophobicContact CG-CG1 4.12Å; V49-V51 HydrophobicContact CG2-CG2 4.15Å
50N93.6Very high91.3Very high60 Ų6082 Ų8232%0.32148%0.475SS..EExtended strand (participates in β ladder)trans-96.9124.5170.4174.78.8000109.5I5 T6 L8I5-N50 WeakPolarHBondContact CA-O 3.48Å; T6-N50 PolarHBondContact N-O 2.96Å; T6-N50 PolarHBondContact O-N 2.97Å; T6-N50 VanDerWaalsContact OG1-CB 3.28Å; T6-N50 WeakPolarHBondContact OG1-CB 3.45Å; T6-N50 PolarHBondContact OG1-O 2.86Å; L8-N50 HydrophobicContact CD1-CB 4.15Å; L8-N50 HydrophobicContact CD2-CB 3.8Å; L8-N50 HydrophobicContact CG-CB 4.03Å
51V94.3Very high91.4Very high69 Ų6987.2 Ų87.242%0.41850%0.495SS..EExtended strand (participates in β ladder)trans-111.1117.6-175.7-176.90000108.9F3 K4 I5 V49F3-V51 HydrophobicContact CB-CG1 4Å; F3-V51 HydrophobicContact CD1-CG1 3.69Å; F3-V51 HydrophobicContact CG-CG1 4.12Å; K4-V51 WeakPolarHBondContact O-CA 3.45Å; I5-V51 HydrophobicContact CG1-CG2 4.42Å; V49-V51 HydrophobicContact CG2-CG2 4.15Å
52Q94.8Very high91.2Very high86 Ų8689.6 Ų89.640%0.40251%0.509SS..EExtended strand (participates in β ladder)trans-117.2135.6-179.4-63.9-179.8-14.200110.8F3 K4 V54F3-Q52 CarbonylContact C-O 3.56Å; F3-Q52 VanDerWaalsContact CA-O 3.22Å; F3-Q52 WeakPolarHBondContact CA-O 3.23Å; K4-Q52 HydrophobicContact CB-CB 4.42Å; K4-Q52 PolarHBondContact N-O 2.94Å; K4-Q52 PolarHBondContact O-N 3.21Å; Q52-V54 HydrophobicContact CB-CG2 4.45Å; Q52-V54 PolarHBondContact O-N 3.44Å
53L95.7Very high90.9Very high112 Ų11289 Ų8959%0.58650%0.503SS*.EExtended strand (participates in β ladder)trans-73.2124171.4176.758.7000110M1 M2 F3M1-L53 HydrophobicContact CE-CD1 3.48Å; M1-L53 VanDerWaalsContact CE-CD1 3.48Å; M1-L53 HydrophobicContact CE-CD2 3.78Å; M1-L53 HydrophobicContact CE-CG 4.18Å; M1-L53 HydrophobicContact CG-CD1 3.56Å; M1-L53 HydrophobicContact SD-CD1 4.36Å; M2-L53 WeakPolarHBondContact O-CD1 3.48Å; F3-L53 HydrophobicContact CE1-CB 4.48Å; F3-L53 HydrophobicContact CE1-CD1 4.3Å
54V95.2Very high90.7Very high39 Ų3990.2 Ų90.224%0.23651%0.509CS..EExtended strand (participates in β ladder)trans-129.1144.5-178.3-177.70000110.5M2 K4 Q52 L56M2-V54 WeakPolarHBondContact CB-O 3.42Å; M2-V54 PolarHBondContact O-N 2.88Å; M2-V54 VanDerWaalsContact O-O 3.14Å; K4-V54 HydrophobicContact CB-CG2 3.63Å; Q52-V54 HydrophobicContact CB-CG2 4.45Å; Q52-V54 PolarHBondContact O-N 3.44Å; V54-L56 HydrophobicContact CG1-CD2 3.72Å; V54-L56 HydrophobicContact CG1-CG 4.12Å
55K93.6Very high90.6Very high207 Ų20791.1 Ų91.190%0.950%0.502SS*.  trans-99.7117.9167-68.4-178.4-179.61750108.5
56L91.2Very high90.2Very high67 Ų6784.7 Ų84.735%0.35148%0.476SS..  trans-105.8139.2179.7-63.7175.6000110.6M2 H18 V54M2-L56 HydrophobicContact CB-CD1 4.32Å; M2-L56 HydrophobicContact CE-CD1 4.16Å; H18-L56 HydrophobicContact CB-CD1 3.84Å; V54-L56 HydrophobicContact CG1-CD2 3.72Å; V54-L56 HydrophobicContact CG1-CG 4.12Å
57P92Very high89.8Confident107 Ų10784.9 Ų84.970%0.69545%0.454SS*.PPolyproline II helixtrans-71.1158171.831.3-34.5000111.2G59P57-G59 PolarHBondContact O-N 3.47Å
58I91.3Very high89.3Confident163 Ų16386.4 Ų86.484%0.83646%0.455SS*.PPolyproline II helixtrans-73.1126.4174.5-61.2171.6000108.6
59G86.9Confident88.6Confident44 Ų4486.4 Ų86.445%0.45446%0.462SS..PPolyproline II helixtrans-74.3137.6174.300000111.4P57P57-G59 PolarHBondContact O-N 3.47Å
60T90.3Very high87.7Confident109 Ų10988.2 Ų88.267%0.66947%0.47SS*.SBendtrans-88.9-29.5176.248.70000112.3
61Y88.6Confident86.9Confident121 Ų12187.1 Ų87.148%0.47547%0.465SS..  trans-152.6141.6-173.3176.8-102.3000111.7K63Y61-K63 HydrophobicContact CE1-CD 3.66Å; Y61-K63 VanDerWaalsContact CE1-CE 3.43Å; Y61-K63 HydrophobicContact CE1-CG 3.47Å; Y61-K63 VanDerWaalsContact CE1-CG 3.47Å; Y61-K63 WeakPolarHBondContact OH-CE 3.02Å; Y61-K63 WeakPolarHBondContact OH-CG 3.46Å
62V86.8Confident86.2Confident51 Ų5188.7 Ų88.731%0.30948%0.479SS..  trans-136.6130179.61790000109.5L64 L91 V112V62-L64 HydrophobicContact CG1-CD2 3.64Å; V62-L64 HydrophobicContact CG1-CG 4Å; V62-L91 HydrophobicContact CG1-CD1 4.03Å; V62-L91 HydrophobicContact CG2-CD1 4.23Å; V62-V112 HydrophobicContact CG1-CG2 4.43Å; V62-V112 HydrophobicContact CG2-CG2 4.38Å
63K85.5Confident85.6Confident82 Ų8294.3 Ų94.336%0.35750%0.496SS..  trans-95.1124.2168.9-79.8154.4176.4150.40108.7Y61 P110 E113Y61-K63 HydrophobicContact CE1-CD 3.66Å; Y61-K63 VanDerWaalsContact CE1-CE 3.43Å; Y61-K63 HydrophobicContact CE1-CG 3.47Å; Y61-K63 VanDerWaalsContact CE1-CG 3.47Å; Y61-K63 WeakPolarHBondContact OH-CE 3.02Å; Y61-K63 WeakPolarHBondContact OH-CG 3.46Å; K63-P110 WeakPolarHBondContact CB-O 3.48Å; K63-P110 WeakPolarHBondContact O-CD 3.14Å; K63-P110 VanDerWaalsContact O-O 3.04Å; K63-E113 IonicContact NZ-OE2 2.9Å; K63-E113 PolarHBondContact NZ-OE2 3.1Å
64L86Confident84.9Confident44 Ų4490.4 Ų90.423%0.2348%0.476CS..  trans-113.9137.7176.1-61.2179.7000109V62 L81 L85 F97 T109V62-L64 HydrophobicContact CG1-CD2 3.64Å; V62-L64 HydrophobicContact CG1-CG 4Å; L64-L81 HydrophobicContact CD1-CD2 4.13Å; L64-L85 HydrophobicContact CD1-CD1 4.08Å; L64-L85 HydrophobicContact CD1-CD2 4.41Å; L64-F97 HydrophobicContact CD1-CZ 4.12Å; L64-F97 HydrophobicContact CD2-CE1 3.93Å; L64-F97 HydrophobicContact CD2-CZ 4.02Å; L64-T109 HydrophobicContact CD2-CG2 3.72Å
65K84.5Confident84.5Confident119 Ų11993.3 Ų93.352%0.51750%0.498SS..EExtended strand (participates in β ladder)trans-114.9117.5173.3173.2-178.4-179.9-168.20108.8D108 P110K65-D108 PolarHBondContact N-O 3.29Å; K65-D108 PolarHBondContact O-N 3.13Å; K65-P110 HydrophobicContact CB-CG 3.56Å; K65-P110 VanDerWaalsContact N-CD 3.3Å
66P84.1Confident84.3Confident48 Ų4888.4 Ų88.431%0.31248%0.481SS..EExtended strand (participates in β ladder)trans-67.9136.9172.829.9-34.2000109.8L71 F107P66-L71 HydrophobicContact CB-CB 4.06Å; P66-L71 HydrophobicContact CB-CD2 4.12Å; P66-L71 HydrophobicContact CG-CB 4.41Å; P66-L71 HydrophobicContact CG-CD2 3.91Å; P66-F107 HydrophobicContact CB-CD1 4.11Å; P66-F107 HydrophobicContact CB-CE1 4.03Å
67Q80.1Confident84.1Confident88 Ų8887.1 Ų87.141%0.41148%0.477SS..SBendtrans-78.1-38.5170.2-76.5-66.8-17.200111.3E106 D108Q67-E106 HydrophobicContact CB-CB 4.15Å; Q67-E106 WeakPolarHBondContact CB-O 2.88Å; Q67-E106 HydrophobicContact CG-CB 4.48Å; Q67-E106 PolarHBondContact N-O 3.4Å; Q67-D108 VanDerWaalsContact CG-OD1 3.22Å; Q67-D108 WeakPolarHBondContact CG-OD1 3.43Å; Q67-D108 PolarHBondContact NE2-OD1 2.95Å; Q67-D108 PolarHBondContact NE2-OD2 3.23Å
68N77.8Confident83.8Confident63 Ų6386 Ų8634%0.33747%0.471SS..SBendtrans-101.1143.3-176-66.4-32.5000111.9L70N68-L70 HydrophobicContact CB-CB 4.46Å; N68-L70 HydrophobicContact CB-CG 4.37Å; N68-L70 PolarHBondContact O-N 3.38Å
69C76.2Confident83.8Confident103 Ų10380.8 Ų80.870%0.69645%0.453SS*.G310 helixtrans-66.9-1172.9-56.40000113.6L71 S72C69-L71 PolarHBondContact O-N 3.24Å; C69-S72 PolarHBondContact O-N 3.25Å; C69-S72 PolarHBondContact O-OG 3.47Å
70L74.1Confident83.8Confident70 Ų7079.4 Ų79.437%0.36644%0.436SS..G310 helixtrans-64.3-29.3-179.8-67.3178.5000112.5N68 S72 R73 V105N68-L70 HydrophobicContact CB-CB 4.46Å; N68-L70 HydrophobicContact CB-CG 4.37Å; N68-L70 PolarHBondContact O-N 3.38Å; L70-S72 PolarHBondContact O-N 2.93Å; L70-R73 WeakPolarHBondContact O-CB 3.24Å; L70-R73 PolarHBondContact O-N 2.9Å; L70-V105 HydrophobicContact CB-CG2 3.81Å; L70-V105 HydrophobicContact CD1-CG2 4.27Å
71L76.2Confident83.6Confident38 Ų3875.7 Ų75.720%0.19941%0.411CS..G310 helixtrans-56.9-35.8175.3-163.785.5000112.1P66 C69 R73 L74 P77 L81 F107P66-L71 HydrophobicContact CB-CB 4.06Å; P66-L71 HydrophobicContact CB-CD2 4.12Å; P66-L71 HydrophobicContact CG-CB 4.41Å; P66-L71 HydrophobicContact CG-CD2 3.91Å; C69-L71 PolarHBondContact O-N 3.24Å; L71-R73 PolarHBondContact O-N 3.45Å; L71-L74 PolarHBondContact O-N 3.38Å; L71-P77 HydrophobicContact CD1-CB 4.13Å; L71-P77 HydrophobicContact CD2-CB 4.33Å; L71-P77 HydrophobicContact CG-CB 3.93Å; L71-L81 HydrophobicContact CD1-CD1 4.47Å; L71-F107 HydrophobicContact CD1-CE1 3.51Å; L71-F107 HydrophobicContact CD1-CZ 3.34Å; L71-F107 HydrophobicContact CD2-CE1 4.34Å; L71-F107 HydrophobicContact CG-CE1 4.47Å
72S79.3Confident83.7Confident102 Ų10275.9 Ų75.971%0.71342%0.417SS*.G310 helixtrans-75.3-10.9-177.876.70000113.4C69 L70C69-S72 PolarHBondContact O-N 3.25Å; C69-S72 PolarHBondContact O-OG 3.47Å; L70-S72 PolarHBondContact O-N 2.93Å
73R81.7Confident83.8Confident203 Ų20379.3 Ų79.377%0.76643%0.43SS*.G310 helixtrans-89.2-13177.8-62.9-176.3178.1176.6-1.3112.8L70 L71L70-R73 WeakPolarHBondContact O-CB 3.24Å; L70-R73 PolarHBondContact O-N 2.9Å; L71-R73 PolarHBondContact O-N 3.45Å
74L82.3Confident83.9Confident31 Ų3177.9 Ų77.916%0.16242%0.423CS..  trans-79.4138.3180-177.553.6000110.2L71 P77 V80 Y101L71-L74 PolarHBondContact O-N 3.38Å; L74-P77 HydrophobicContact CD2-CB 4.28Å; L74-V80 HydrophobicContact CD1-CG2 4.16Å; L74-V80 HydrophobicContact CD2-CB 3.61Å; L74-V80 HydrophobicContact CD2-CG1 4.11Å; L74-V80 HydrophobicContact CD2-CG2 3.36Å; L74-V80 HydrophobicContact CG-CG2 4.26Å; L74-Y101 HydrophobicContact CD1-CD1 4.23Å; L74-Y101 HydrophobicContact CD1-CE1 3.4Å; L74-Y101 HydrophobicContact CD2-CD1 4.44Å; L74-Y101 HydrophobicContact CD2-CE1 4.33Å; L74-Y101 HydrophobicContact CG-CE1 4.46Å
75S86.9Confident84Confident100 Ų10078.1 Ų78.170%0.69943%0.425SS*.SBendtrans-61.9-46.5175.758.50000111.5
76D88.8Confident84.2Confident103 Ų10382.1 Ų82.155%0.55144%0.436SS*.  trans-129.575.6-173.1-58.6-62.4000111.4S78 A79 V80D76-S78 VanDerWaalsContact C-N 3.27Å; D76-S78 PolarHBondContact O-N 2.81Å; D76-A79 HydrophobicContact CB-CB 4.15Å; D76-A79 PolarHBondContact O-N 3.36Å; D76-V80 PolarHBondContact O-N 2.94Å
77P87.1Confident84.4Confident41 Ų4186.1 Ų86.127%0.26646%0.455SS..Hα-helixtrans-61.4-33.3-177.224.4-33.9000113.4L71 L74 L81L71-P77 HydrophobicContact CD1-CB 4.13Å; L71-P77 HydrophobicContact CD2-CB 4.33Å; L71-P77 HydrophobicContact CG-CB 3.93Å; L74-P77 HydrophobicContact CD2-CB 4.28Å; P77-L81 WeakPolarHBondContact O-CB 3.46Å; P77-L81 WeakPolarHBondContact O-CG 3.44Å; P77-L81 PolarHBondContact O-N 3.44Å
78S86.5Confident84.8Confident82 Ų8284.2 Ų84.257%0.57345%0.446SS*.Hα-helixtrans-63.7-43.1178.3-54.70000112.4D76 V80 L81 E82D76-S78 VanDerWaalsContact C-N 3.27Å; D76-S78 PolarHBondContact O-N 2.81Å; S78-V80 PolarHBondContact O-N 3.14Å; S78-L81 PolarHBondContact O-N 3.44Å; S78-E82 WeakPolarHBondContact O-CG 3.22Å; S78-E82 PolarHBondContact O-N 3.14Å
79A90.2Very high85.3Confident54 Ų5484.9 Ų84.945%0.44646%0.455SS..Hα-helixtrans-65.5-41.3-178.400000111.7D76 E82 Q83D76-A79 HydrophobicContact CB-CB 4.15Å; D76-A79 PolarHBondContact O-N 3.36Å; A79-E82 PolarHBondContact O-N 2.91Å; A79-Q83 WeakPolarHBondContact O-CB 3.3Å; A79-Q83 PolarHBondContact O-N 2.91Å
80V86.6Confident86Confident16 Ų1680.8 Ų80.810%0.09743%0.427CS..Hα-helixtrans-65.7-41.9176.3172.70000111.2L74 D76 S78 Q83 K84 Y101L74-V80 HydrophobicContact CD1-CG2 4.16Å; L74-V80 HydrophobicContact CD2-CB 3.61Å; L74-V80 HydrophobicContact CD2-CG1 4.11Å; L74-V80 HydrophobicContact CD2-CG2 3.36Å; L74-V80 HydrophobicContact CG-CG2 4.26Å; D76-V80 PolarHBondContact O-N 2.94Å; S78-V80 PolarHBondContact O-N 3.14Å; V80-Q83 PolarHBondContact O-N 3.22Å; V80-K84 HydrophobicContact CG1-CG 4.26Å; V80-K84 VanDerWaalsContact O-CB 3.31Å; V80-K84 WeakPolarHBondContact O-CB 3.22Å; V80-K84 WeakPolarHBondContact O-CG 3.26Å; V80-K84 PolarHBondContact O-N 3.2Å; V80-Y101 HydrophobicContact CB-CD2 4.24Å; V80-Y101 HydrophobicContact CB-CE2 4.38Å; V80-Y101 HydrophobicContact CG1-CD2 3.47Å; V80-Y101 VanDerWaalsContact CG1-CD2 3.47Å; V80-Y101 HydrophobicContact CG1-CE2 4.09Å; V80-Y101 HydrophobicContact CG1-CG 3.77Å; V80-Y101 HydrophobicContact CG2-CD2 3.68Å; V80-Y101 HydrophobicContact CG2-CE1 4.46Å; V80-Y101 HydrophobicContact CG2-CE2 3.36Å; V80-Y101 HydrophobicContact CG2-CG 4.34Å
81L87.4Confident86.8Confident30 Ų3080.1 Ų80.116%0.15742%0.424CS..Hα-helixtrans-62.3-46.8175.1-76.3167.3000111.4L64 L71 P77 S78 Q83 K84 L85 I99 F107L64-L81 HydrophobicContact CD1-CD2 4.13Å; L71-L81 HydrophobicContact CD1-CD1 4.47Å; P77-L81 WeakPolarHBondContact O-CB 3.46Å; P77-L81 WeakPolarHBondContact O-CG 3.44Å; P77-L81 PolarHBondContact O-N 3.44Å; S78-L81 PolarHBondContact O-N 3.44Å; L81-Q83 VanDerWaalsContact C-N 3.32Å; L81-Q83 PolarHBondContact O-N 3.21Å; L81-K84 PolarHBondContact O-N 3.02Å; L81-L85 HydrophobicContact CB-CD1 4.49Å; L81-L85 WeakPolarHBondContact O-CB 3.22Å; L81-L85 WeakPolarHBondContact O-CG 2.93Å; L81-L85 PolarHBondContact O-N 3.47Å; L81-I99 HydrophobicContact CD2-CD1 3.5Å; L81-F107 HydrophobicContact CD1-CE1 4.47Å; L81-F107 HydrophobicContact CD2-CD1 4.37Å; L81-F107 HydrophobicContact CD2-CE1 3.73Å; L81-F107 HydrophobicContact CD2-CE2 4.31Å; L81-F107 HydrophobicContact CD2-CZ 3.67Å
82E88.9Confident87.5Confident125 Ų12578.9 Ų78.958%0.58442%0.418SS*.Hα-helixtrans-60-40.5177.1-76.8-180-166.300112.8S78 A79 R86S78-E82 WeakPolarHBondContact O-CG 3.22Å; S78-E82 PolarHBondContact O-N 3.14Å; A79-E82 PolarHBondContact O-N 2.91Å; E82-R86 WeakPolarHBondContact O-CG 3.33Å
83Q89.5Confident87.9Confident124 Ų12480.1 Ų80.158%0.57941%0.41SS*.Hα-helixtrans-66.9-43.6177.5-176.1178.30.200111.4A79 V80 L81A79-Q83 WeakPolarHBondContact O-CB 3.3Å; A79-Q83 PolarHBondContact O-N 2.91Å; V80-Q83 PolarHBondContact O-N 3.22Å; L81-Q83 VanDerWaalsContact C-N 3.32Å; L81-Q83 PolarHBondContact O-N 3.21Å
84K87.3Confident88.1Confident52 Ų5273.2 Ų73.223%0.22640%0.402CS..Hα-helixtrans-80.2-35.1-172.9-66.6-79176.6167.90112.2V80 L81 R86 N87 F88 I99 E100V80-K84 HydrophobicContact CG1-CG 4.26Å; V80-K84 VanDerWaalsContact O-CB 3.31Å; V80-K84 WeakPolarHBondContact O-CB 3.22Å; V80-K84 WeakPolarHBondContact O-CG 3.26Å; V80-K84 PolarHBondContact O-N 3.2Å; L81-K84 PolarHBondContact O-N 3.02Å; K84-R86 PolarHBondContact O-N 2.88Å; K84-N87 WeakPolarHBondContact O-CB 3.5Å; K84-N87 PolarHBondContact O-N 3Å; K84-N87 VanDerWaalsContact O-N 3.08Å; K84-F88 WeakPolarHBondContact O-CD2 3.5Å; K84-I99 HydrophobicContact CB-CD1 4.18Å; K84-I99 HydrophobicContact CB-CG1 4.43Å; K84-I99 HydrophobicContact CB-CG2 3.51Å; K84-I99 HydrophobicContact CD-CG2 3.7Å; K84-I99 HydrophobicContact CG-CG2 3.33Å; K84-E100 WeakPolarHBondContact CE-O 3.35Å; K84-E100 PolarHBondContact NZ-O 3.02Å
85L88.2Confident88.4Confident49 Ų4972.6 Ų72.626%0.25740%0.399SS..Hα-helixtrans-63.3-23.9174.9-72175.2000112.9L64 L81 N87 F88 L91 F97L64-L85 HydrophobicContact CD1-CD1 4.08Å; L64-L85 HydrophobicContact CD1-CD2 4.41Å; L81-L85 HydrophobicContact CB-CD1 4.49Å; L81-L85 WeakPolarHBondContact O-CB 3.22Å; L81-L85 WeakPolarHBondContact O-CG 2.93Å; L81-L85 PolarHBondContact O-N 3.47Å; L85-N87 PolarHBondContact O-N 2.78Å; L85-F88 PolarHBondContact O-N 3.01Å; L85-F88 VanDerWaalsContact O-O 3.1Å; L85-L91 HydrophobicContact CD2-CD1 4.21Å; L85-L91 HydrophobicContact CD2-CD2 4.38Å; L85-F97 HydrophobicContact CD2-CE2 3.89Å; L85-F97 HydrophobicContact CD2-CZ 3.82Å
86R89.6Confident88.3Confident202 Ų20271.7 Ų71.776%0.76239%0.385SS*.THydrogen-bonded Turntrans-60.3-25.8172.3-72.1170.3-169.7-153.63.1113.5E82 K84 F88E82-R86 WeakPolarHBondContact O-CG 3.33Å; K84-R86 PolarHBondContact O-N 2.88Å; R86-F88 VanDerWaalsContact C-N 3.29Å
87N87.5Confident88Confident132 Ų13267 Ų6771%0.70636%0.36SS*.THydrogen-bonded Turntrans-79.3-15.8178.3-62.9-12.2000112.3K84 L85K84-N87 WeakPolarHBondContact O-CB 3.5Å; K84-N87 PolarHBondContact O-N 3Å; K84-N87 VanDerWaalsContact O-N 3.08Å; L85-N87 PolarHBondContact O-N 2.78Å
88F88.1Confident87.6Confident49 Ų4966.8 Ų66.822%0.21536%0.362CS..  trans-97.6126.1177.8-64.3-90.3000109.4W36 K84 L85 R86 L91 F97W36-F88 HydrophobicContact CH2-CD1 4.4Å; W36-F88 HydrophobicContact CH2-CE1 4.15Å; W36-F88 HydrophobicContact CZ2-CD1 4.25Å; W36-F88 AromaticContact CZ2-CE1 3.77Å; W36-F88 HydrophobicContact CZ2-CE1 3.77Å; K84-F88 WeakPolarHBondContact O-CD2 3.5Å; L85-F88 PolarHBondContact O-N 3.01Å; L85-F88 VanDerWaalsContact O-O 3.1Å; R86-F88 VanDerWaalsContact C-N 3.29Å; F88-L91 HydrophobicContact CB-CD2 4.48Å; F88-F97 HydrophobicContact CD2-CD2 4.47Å; F88-F97 HydrophobicContact CE1-CB 3.99Å; F88-F97 HydrophobicContact CE1-CD2 4.03Å; F88-F97 HydrophobicContact CE1-CG 4.27Å; F88-F97 AromaticContact CE2-CD2 3.84Å; F88-F97 HydrophobicContact CE2-CD2 3.84Å; F88-F97 HydrophobicContact CE2-CE2 4.21Å; F88-F97 HydrophobicContact CZ-CB 4.17Å; F88-F97 AromaticContact CZ-CD2 3.59Å; F88-F97 HydrophobicContact CZ-CD2 3.59Å; F88-F97 HydrophobicContact CZ-CE2 4.4Å; F88-F97 HydrophobicContact CZ-CG 4.25Å
89S89Confident87.2Confident77 Ų7763.1 Ų63.154%0.53834%0.336SS..SBendtrans-81-33.7176.947.10000112.5M2 G20M2-S89 WeakPolarHBondContact CE-O 3.28Å; G20-S89 VanDerWaalsContact CA-OG 3.3Å; G20-S89 WeakPolarHBondContact CA-OG 3.36Å; G20-S89 PolarHBondContact N-OG 2.98Å
90C90.6Very high86.4Confident16 Ų1667.4 Ų67.411%0.10835%0.346CS..  trans-132.1152.5-174-40.90000109.7M2 H18 C19 G20M2-C90 HydrophobicContact CE-CB 3.98Å; M2-C90 WeakPolarHBondContact CE-SG 3.15Å; M2-C90 PolarHBondContact SD-SG 2.96Å; H18-C90 HydrophobicContact CB-CB 3.92Å; H18-C90 WeakPolarHBondContact O-CB 3.36Å; C19-C90 VanDerWaalsContact CA-SG 3.59Å; G20-C90 PolarHBondContact N-SG 2.65Å
91L90.7Very high85.5Confident57 Ų5771.1 Ų71.130%0.29836%0.359SS..  trans-129.7127.5163.5-64174.5000108.2V62 L85 F88 F97V62-L91 HydrophobicContact CG1-CD1 4.03Å; V62-L91 HydrophobicContact CG2-CD1 4.23Å; L85-L91 HydrophobicContact CD2-CD1 4.21Å; L85-L91 HydrophobicContact CD2-CD2 4.38Å; F88-L91 HydrophobicContact CB-CD2 4.48Å; L91-F97 HydrophobicContact CD2-CD1 4.41Å; L91-F97 HydrophobicContact CD2-CE1 4.08Å; L91-F97 HydrophobicContact CD2-CZ 4.33Å
92T90.7Very high84.4Confident11 Ų1177.6 Ų77.67%0.06739%0.394CS..  trans-100.9143.3170.8-36.30000108.8F16 H18 G94 D95 T109F16-T92 HydrophobicContact CD2-CG2 4.26Å; F16-T92 HydrophobicContact CE2-CG2 3.8Å; H18-T92 PolarHBondContact N-OG1 2.94Å; H18-T92 WeakPolarHBondContact ND1-CG2 3.34Å; H18-T92 PolarHBondContact ND1-OG1 2.95Å; T92-G94 PolarHBondContact O-N 3.38Å; T92-D95 WeakPolarHBondContact CB-OD2 3.2Å; T92-D95 PolarHBondContact O-N 2.62Å; T92-D95 PolarHBondContact OG1-OD2 3.33Å; T92-T109 PolarHBondContact O-OG1 3.37Å
93K88.3Confident83Confident128 Ų12873.6 Ų73.656%0.55739%0.386SS*.THydrogen-bonded Turntrans-63.6127.4173.4175.4-178.7175.6-175.50110.2F111K93-F111 HydrophobicContact CD-CD2 3.95Å; K93-F111 VanDerWaalsContact NZ-CD2 3.27Å
94G86.1Confident81.5Confident58 Ų5871.1 Ų71.160%0.59838%0.382SS*.THydrogen-bonded Turntrans88.50.717900000114.8T92 T109T92-G94 PolarHBondContact O-N 3.38Å; G94-T109 PolarHBondContact N-O 3.03Å; G94-T109 PolarHBondContact N-OG1 2.97Å
95D88.6Confident80.2Confident18 Ų1869.2 Ų69.210%0.09638%0.375CS..  trans-74.3148.6171.2-75.6-9000110.8T17 T92 T109T17-D95 PolarHBondContact OG1-OD2 2.7Å; T92-D95 WeakPolarHBondContact CB-OD2 3.2Å; T92-D95 PolarHBondContact O-N 2.62Å; T92-D95 PolarHBondContact OG1-OD2 3.33Å; D95-T109 PolarHBondContact N-OG1 3.45Å; D95-T109 PolarHBondContact O-N 2.85Å; D95-T109 PolarHBondContact O-OG1 3.4Å
96M85.3Confident79.2Confident82 Ų8271.6 Ų71.640%0.40439%0.385SS..EExtended strand (participates in β ladder)trans-110128.2171-53.8-178.4-66.300109N40 F107 D108N40-M96 VanDerWaalsContact CG-O 3.26Å; N40-M96 PolarHBondContact ND2-N 2.82Å; N40-M96 PolarHBondContact ND2-O 2.72Å; N40-M96 WeakPolarHBondContact OD1-CB 3.35Å; N40-M96 PolarHBondContact OD1-N 3.34Å; N40-M96 PolarHBondContact OD1-O 2.85Å; M96-F107 CarbonylContact C-O 3.48Å; M96-F107 WeakPolarHBondContact CA-O 3.01Å; M96-D108 VanDerWaalsContact CG-OD1 3.26Å; M96-D108 WeakPolarHBondContact CG-OD1 2.89Å
97F83.2Confident77.9Confident4 Ų462.2 Ų62.22%0.01835%0.35CS..EExtended strand (participates in β ladder)trans-131.3143177.264.9-80.8000110.3W36 L64 L85 F88 L91 I99 F107 T109W36-F97 HydrophobicContact CE3-CB 4.2Å; W36-F97 HydrophobicContact CZ3-CB 4.28Å; L64-F97 HydrophobicContact CD1-CZ 4.12Å; L64-F97 HydrophobicContact CD2-CE1 3.93Å; L64-F97 HydrophobicContact CD2-CZ 4.02Å; L85-F97 HydrophobicContact CD2-CE2 3.89Å; L85-F97 HydrophobicContact CD2-CZ 3.82Å; F88-F97 HydrophobicContact CD2-CD2 4.47Å; F88-F97 HydrophobicContact CE1-CB 3.99Å; F88-F97 HydrophobicContact CE1-CD2 4.03Å; F88-F97 HydrophobicContact CE1-CG 4.27Å; F88-F97 AromaticContact CE2-CD2 3.84Å; F88-F97 HydrophobicContact CE2-CD2 3.84Å; F88-F97 HydrophobicContact CE2-CE2 4.21Å; F88-F97 HydrophobicContact CZ-CB 4.17Å; F88-F97 AromaticContact CZ-CD2 3.59Å; F88-F97 HydrophobicContact CZ-CD2 3.59Å; F88-F97 HydrophobicContact CZ-CE2 4.4Å; F88-F97 HydrophobicContact CZ-CG 4.25Å; L91-F97 HydrophobicContact CD2-CD1 4.41Å; L91-F97 HydrophobicContact CD2-CE1 4.08Å; L91-F97 HydrophobicContact CD2-CZ 4.33Å; F97-I99 HydrophobicContact CD2-CD1 4.37Å; F97-I99 HydrophobicContact CD2-CG1 3.89Å; F97-I99 HydrophobicContact CE2-CD1 3.67Å; F97-I99 HydrophobicContact CE2-CG1 3.7Å; F97-F107 HydrophobicContact CD1-CB 4.49Å; F97-F107 HydrophobicContact CE1-CB 4.07Å; F97-F107 HydrophobicContact CE2-CB 4.46Å; F97-F107 HydrophobicContact CZ-CB 4.07Å; F97-F107 PolarHBondContact N-O 3.23Å; F97-F107 PolarHBondContact O-N 2.98Å; F97-T109 HydrophobicContact CD1-CG2 3.94Å; F97-T109 HydrophobicContact CE1-CG2 3.51Å
98A77.9Confident76.8Confident37 Ų3757.8 Ų57.831%0.30633%0.326SS..EExtended strand (participates in β ladder)trans-92.4134.6177.500000109.6E106A98-E106 HydrophobicContact CB-CG 4.23Å
99I77Confident75.3Confident5 Ų555.5 Ų55.53%0.02632%0.316CS..EExtended strand (participates in β ladder)trans-112121.6169.9-57.4-176.9000107.6L81 K84 F97 Y101 V105 F107L81-I99 HydrophobicContact CD2-CD1 3.5Å; K84-I99 HydrophobicContact CB-CD1 4.18Å; K84-I99 HydrophobicContact CB-CG1 4.43Å; K84-I99 HydrophobicContact CB-CG2 3.51Å; K84-I99 HydrophobicContact CD-CG2 3.7Å; K84-I99 HydrophobicContact CG-CG2 3.33Å; F97-I99 HydrophobicContact CD2-CD1 4.37Å; F97-I99 HydrophobicContact CD2-CG1 3.89Å; F97-I99 HydrophobicContact CE2-CD1 3.67Å; F97-I99 HydrophobicContact CE2-CG1 3.7Å; I99-Y101 PolarHBondContact O-N 3.35Å; I99-V105 PolarHBondContact N-O 2.99Å; I99-V105 PolarHBondContact O-N 3.11Å; I99-F107 HydrophobicContact CB-CD2 4.22Å; I99-F107 HydrophobicContact CB-CE2 3.8Å; I99-F107 HydrophobicContact CD1-CD2 3.61Å; I99-F107 HydrophobicContact CD1-CE2 3.34Å; I99-F107 HydrophobicContact CD1-CG 4.45Å; I99-F107 HydrophobicContact CD1-CZ 3.95Å; I99-F107 HydrophobicContact CG1-CD2 3.71Å; I99-F107 HydrophobicContact CG1-CE2 3.65Å
100E74.6Confident73.4Confident143 Ų14354.5 Ų54.567%0.66831%0.308SS*.EExtended strand (participates in β ladder)trans-80.8116.4173.7-63.4174-177.400109.9K84K84-E100 WeakPolarHBondContact CE-O 3.35Å; K84-E100 PolarHBondContact NZ-O 3.02Å
101Y67.9Low71.2Confident94 Ų9457.8 Ų57.837%0.36932%0.32SS..SBendtrans-150.7105.4171.6-173.1-88.1000110.2L74 V80 I99 G103L74-Y101 HydrophobicContact CD1-CD1 4.23Å; L74-Y101 HydrophobicContact CD1-CE1 3.4Å; L74-Y101 HydrophobicContact CD2-CD1 4.44Å; L74-Y101 HydrophobicContact CD2-CE1 4.33Å; L74-Y101 HydrophobicContact CG-CE1 4.46Å; V80-Y101 HydrophobicContact CB-CD2 4.24Å; V80-Y101 HydrophobicContact CB-CE2 4.38Å; V80-Y101 HydrophobicContact CG1-CD2 3.47Å; V80-Y101 VanDerWaalsContact CG1-CD2 3.47Å; V80-Y101 HydrophobicContact CG1-CE2 4.09Å; V80-Y101 HydrophobicContact CG1-CG 3.77Å; V80-Y101 HydrophobicContact CG2-CD2 3.68Å; V80-Y101 HydrophobicContact CG2-CE1 4.46Å; V80-Y101 HydrophobicContact CG2-CE2 3.36Å; V80-Y101 HydrophobicContact CG2-CG 4.34Å; I99-Y101 PolarHBondContact O-N 3.35Å; Y101-G103 CarbonylContact C-O 3.55Å; Y101-G103 VanDerWaalsContact C-O 3.25Å; Y101-G103 PolarHBondContact N-O 2.7Å; Y101-G103 CarbonylContact O-C 3.59Å; Y101-G103 PolarHBondContact O-N 3.38Å
102D64Low69.3Low167 Ų16757 Ų5789%0.89332%0.318SS*.SBendtrans41.335.6-175.4-72.9-10000113.5
103G59.8Low67.1Low41 Ų4159.5 Ų59.542%0.42333%0.329SS..SBendtrans135.6161.3-163.700000111.7Y101Y101-G103 CarbonylContact C-O 3.55Å; Y101-G103 VanDerWaalsContact C-O 3.25Å; Y101-G103 PolarHBondContact N-O 2.7Å; Y101-G103 CarbonylContact O-C 3.59Å; Y101-G103 PolarHBondContact O-N 3.38Å
104S57.6Low65.2Low71 Ų7157 Ų5750%0.49733%0.328SS..EExtended strand (participates in β ladder)trans-89.8116.9178.5-55.20000110.5
105V60.6Low63.2Low12 Ų1259.7 Ų59.77%0.07332%0.324CS..EExtended strand (participates in β ladder)trans-104.6118172-172.30000108.4L70 I99 F107L70-V105 HydrophobicContact CB-CG2 3.81Å; L70-V105 HydrophobicContact CD1-CG2 4.27Å; I99-V105 PolarHBondContact N-O 2.99Å; I99-V105 PolarHBondContact O-N 3.11Å; V105-F107 HydrophobicContact CB-CE2 3.79Å; V105-F107 HydrophobicContact CB-CZ 4.32Å; V105-F107 HydrophobicContact CG1-CD2 4.23Å; V105-F107 HydrophobicContact CG1-CE1 4.47Å; V105-F107 HydrophobicContact CG1-CE2 3.47Å; V105-F107 VanDerWaalsContact CG1-CE2 3.47Å; V105-F107 HydrophobicContact CG1-CZ 3.66Å; V105-F107 WeakPolarHBondContact O-CD2 3.3Å; V105-F107 WeakPolarHBondContact O-CE2 3.44Å
106E65.9Low60.9Low100 Ų10061 Ų6147%0.46734%0.343SS..EExtended strand (participates in β ladder)trans-90.7138.8177.2-66.2175.5-177.400110.3Q67 A98Q67-E106 HydrophobicContact CB-CB 4.15Å; Q67-E106 WeakPolarHBondContact CB-O 2.88Å; Q67-E106 HydrophobicContact CG-CB 4.48Å; Q67-E106 PolarHBondContact N-O 3.4Å; A98-E106 HydrophobicContact CB-CG 4.23Å
107F63Low58.5Low4 Ų463.9 Ų63.92%0.01837%0.367CS..EExtended strand (participates in β ladder)trans-125.7138.4178.4-64.8-98.1000110P66 L71 L81 M96 F97 I99 V105P66-F107 HydrophobicContact CB-CD1 4.11Å; P66-F107 HydrophobicContact CB-CE1 4.03Å; L71-F107 HydrophobicContact CD1-CE1 3.51Å; L71-F107 HydrophobicContact CD1-CZ 3.34Å; L71-F107 HydrophobicContact CD2-CE1 4.34Å; L71-F107 HydrophobicContact CG-CE1 4.47Å; L81-F107 HydrophobicContact CD1-CE1 4.47Å; L81-F107 HydrophobicContact CD2-CD1 4.37Å; L81-F107 HydrophobicContact CD2-CE1 3.73Å; L81-F107 HydrophobicContact CD2-CE2 4.31Å; L81-F107 HydrophobicContact CD2-CZ 3.67Å; M96-F107 CarbonylContact C-O 3.48Å; M96-F107 WeakPolarHBondContact CA-O 3.01Å; F97-F107 HydrophobicContact CD1-CB 4.49Å; F97-F107 HydrophobicContact CE1-CB 4.07Å; F97-F107 HydrophobicContact CE2-CB 4.46Å; F97-F107 HydrophobicContact CZ-CB 4.07Å; F97-F107 PolarHBondContact N-O 3.23Å; F97-F107 PolarHBondContact O-N 2.98Å; I99-F107 HydrophobicContact CB-CD2 4.22Å; I99-F107 HydrophobicContact CB-CE2 3.8Å; I99-F107 HydrophobicContact CD1-CD2 3.61Å; I99-F107 HydrophobicContact CD1-CE2 3.34Å; I99-F107 HydrophobicContact CD1-CG 4.45Å; I99-F107 HydrophobicContact CD1-CZ 3.95Å; I99-F107 HydrophobicContact CG1-CD2 3.71Å; I99-F107 HydrophobicContact CG1-CE2 3.65Å; V105-F107 HydrophobicContact CB-CE2 3.79Å; V105-F107 HydrophobicContact CB-CZ 4.32Å; V105-F107 HydrophobicContact CG1-CD2 4.23Å; V105-F107 HydrophobicContact CG1-CE1 4.47Å; V105-F107 HydrophobicContact CG1-CE2 3.47Å; V105-F107 VanDerWaalsContact CG1-CE2 3.47Å; V105-F107 HydrophobicContact CG1-CZ 3.66Å; V105-F107 WeakPolarHBondContact O-CD2 3.3Å; V105-F107 WeakPolarHBondContact O-CE2 3.44Å
108D64.3Low56.4Low39 Ų3970 Ų7021%0.20940%0.4CS..EExtended strand (participates in β ladder)trans-92.6147.8161.9-71.720.4000109K65 Q67 M96 P110K65-D108 PolarHBondContact N-O 3.29Å; K65-D108 PolarHBondContact O-N 3.13Å; Q67-D108 VanDerWaalsContact CG-OD1 3.22Å; Q67-D108 WeakPolarHBondContact CG-OD1 3.43Å; Q67-D108 PolarHBondContact NE2-OD1 2.95Å; Q67-D108 PolarHBondContact NE2-OD2 3.23Å; M96-D108 VanDerWaalsContact CG-OD1 3.26Å; M96-D108 WeakPolarHBondContact CG-OD1 2.89Å; D108-P110 WeakPolarHBondContact O-CD 3.42Å
109T57.3Low54.5Low2 Ų275.5 Ų75.51%0.01242%0.424CS..  trans-9584.1167.957.80000111.5L64 T92 G94 D95 F97 F111L64-T109 HydrophobicContact CD2-CG2 3.72Å; T92-T109 PolarHBondContact O-OG1 3.37Å; G94-T109 PolarHBondContact N-O 3.03Å; G94-T109 PolarHBondContact N-OG1 2.97Å; D95-T109 PolarHBondContact N-OG1 3.45Å; D95-T109 PolarHBondContact O-N 2.85Å; D95-T109 PolarHBondContact O-OG1 3.4Å; F97-T109 HydrophobicContact CD1-CG2 3.94Å; F97-T109 HydrophobicContact CE1-CG2 3.51Å; T109-F111 PolarHBondContact O-N 2.63Å; T109-F111 VanDerWaalsContact O-N 3.14Å
110P48.9Very low52.7Low56 Ų5683 Ų8336%0.36446%0.464SS..  trans-75.8107.8168.732.8-35.8000109.8K63 K65 D108K63-P110 WeakPolarHBondContact CB-O 3.48Å; K63-P110 WeakPolarHBondContact O-CD 3.14Å; K63-P110 VanDerWaalsContact O-O 3.04Å; K65-P110 HydrophobicContact CB-CG 3.56Å; K65-P110 VanDerWaalsContact N-CD 3.3Å; D108-P110 WeakPolarHBondContact O-CD 3.42Å
111F43.4Very low51.2Low84 Ų8485.2 Ų85.237%0.36848%0.475SS..  trans66113.8161.8-164.6-135.3000116.7K93 T109 E113K93-F111 HydrophobicContact CD-CD2 3.95Å; K93-F111 VanDerWaalsContact NZ-CD2 3.27Å; T109-F111 PolarHBondContact O-N 2.63Å; T109-F111 VanDerWaalsContact O-N 3.14Å; F111-E113 HydrophobicContact CD1-CG 3.85Å; F111-E113 HydrophobicContact CE1-CG 3.22Å; F111-E113 WeakPolarHBondContact CE1-OE1 3.35Å; F111-E113 HydrophobicContact CE2-CG 4.27Å; F111-E113 HydrophobicContact CZ-CG 3.45Å; F111-E113 VanDerWaalsContact CZ-CG 3.45Å
112V52Low49.7Very low40 Ų4090.5 Ų90.524%0.24250%0.499CS..  trans-99.6119165.2-179.50000107V62V62-V112 HydrophobicContact CG1-CG2 4.43Å; V62-V112 HydrophobicContact CG2-CG2 4.38Å
113E43.3Very low48.4Very low65 Ų6587.5 Ų87.530%0.30449%0.489SS..  trans-92.6101163.6-77.8164.8148.300106.5K63 F111 E115K63-E113 IonicContact NZ-OE2 2.9Å; K63-E113 PolarHBondContact NZ-OE2 3.1Å; F111-E113 HydrophobicContact CD1-CG 3.85Å; F111-E113 HydrophobicContact CE1-CG 3.22Å; F111-E113 WeakPolarHBondContact CE1-OE1 3.35Å; F111-E113 HydrophobicContact CE2-CG 4.27Å; F111-E113 HydrophobicContact CZ-CG 3.45Å; F111-E113 VanDerWaalsContact CZ-CG 3.45Å; E113-E115 PolarHBondContact O-N 3.32Å
114S47.9Very low47.3Very low76 Ų7695.6 Ų95.653%0.53151%0.513SS..  trans-85.189.3160.362.50000106.8G116S114-G116 VanDerWaalsContact C-N 3.34Å; S114-G116 PolarHBondContact O-N 3.35Å
115E44.4Very low46Very low113 Ų11396.7 Ų96.753%0.52853%0.526SS..  trans-62.3104.9161.3-59.2-64.8148.200105.5E113E113-E115 PolarHBondContact O-N 3.32Å
116G41.7Very low44.9Very low47 Ų47102.9 Ų102.949%0.48556%0.563SS.*  trans-54.4166.715900000108.8S114 L118S114-G116 VanDerWaalsContact C-N 3.34Å; S114-G116 PolarHBondContact O-N 3.35Å; G116-L118 PolarHBondContact O-N 2.98Å
117P34.2Very low43.6Very low141 Ų141106.3 Ų106.392%0.91658%0.579SS**  trans-62.189.7179.525.8-31.9000109.7N119P117-N119 PolarHBondContact O-N 3.37Å
118L38.3Very low42.1Very low134 Ų134110.6 Ų110.670%0.70261%0.61SS**  trans-90.3102.2-179.3-157.580.7000106.5G116 N120G116-L118 PolarHBondContact O-N 2.98Å; L118-N120 PolarHBondContact O-N 2.98Å
119N39Very low40.7Very low151 Ų151116.6 Ų116.681%0.80764%0.642SS**  trans-50.7134.6163.5-76.9-29000109.4P117 E121P117-N119 PolarHBondContact O-N 3.37Å; N119-E121 PolarHBondContact O-N 3.17Å
120N37.9Very low39.9Very low164 Ų164126 Ų12688%0.87768%0.683SS**SBendtrans-55.595.8-179.2-69.8-41.4000113L118L118-N120 PolarHBondContact O-N 2.98Å
121E44.2Very low39.3Very low189 Ų189132.6 Ų132.688%0.88371%0.709SS**  trans-146.4117.5150.2-69.4-161.9159.800110.8N119N119-E121 PolarHBondContact O-N 3.17Å
122K35.2Very low38.9Very low204 Ų204133 Ų13389%0.88773%0.728SS**  trans-88.4169.9176.3-136.4-173.3-173.8174.90109
123P36.9Very low38.3Very low105 Ų105136.4 Ų136.468%0.68275%0.748SS**  -114.4175-96.738.7-23.9000111.9
124K38.3Very low37.9Very low210 Ų210143 Ų14391%0.91378%0.779SS**  trans-165.6133.5151.4-108158-170.5-176.90112.6
125A29.8Very low37.7Very low94 Ų94142.7 Ų142.778%0.77778%0.781SS**  trans-62.8153.6176.600000112.8
126V37.2Very low37.8Very low142 Ų142143.2 Ų143.286%0.86179%0.788SS**  trans172.6157134.4156.80000108.7
127Q39.5Very low38.1Very low172 Ų172150 Ų15080%0.80480%0.804SS**  trans-82.9165.1-146.6-64.3159.1-17.900115.7
128S30.2Very low38.7Very low94 Ų94147.2 Ų147.266%0.65779%0.792SS**  trans6.3133.6154.755.40000119.1
129D36.1Very low39.2Very low165 Ų165143.7 Ų143.788%0.88278%0.783SS**  -160.4146.4110.3-80-29.8000110.8
130K40.3Very low39.8Very low200 Ų200142.1 Ų142.187%0.8777%0.774SS**  trans-89.9135-179.8-63169.8176.2173.90108.8
131E36Very low40.1Very low194 Ų194142 Ų14291%0.90777%0.768SS**  trans164.6147.9133.4-97.2173.2162.300112.5
132A35Very low40.4Very low94 Ų94137.3 Ų137.378%0.77776%0.756SS**  trans68.6132.8175.100000114
133V39.4Very low41.3Very low110 Ų110135 Ų13567%0.66775%0.749SS**  -155.4121.260.1172.50000109.7A135V133-A135 HydrophobicContact CG1-CB 3.62Å
134E35.1Very low42.1Very low203 Ų203137.3 Ų137.395%0.94975%0.754SS**  trans-89.789.8166-175.6151-172.800107.2
135A43.8Very low43.3Very low70 Ų70136 Ų13658%0.57975%0.749SS**  trans-158.8-13.5176.400000116.9V133V133-A135 HydrophobicContact CG1-CB 3.62Å
136D46.3Very low44.1Very low124 Ų124140.2 Ų140.266%0.66375%0.75SS**  trans-97.63.4-161.1-65.5-19.4000116.7
137K46.8Very low45.5Very low191 Ų191139.4 Ų139.483%0.8375%0.748SS**Hα-helixtrans-79.5-29.8-177.2-110-176.6177.2-173.40114.7
138A47Very low46.5Very low81 Ų81133.3 Ų133.367%0.66973%0.73SS**Hα-helixtrans-76.8-24.1-179.100000113.2
139A49.4Very low48.5Very low60 Ų60135.3 Ų135.350%0.49674%0.739SS.*Hα-helixtrans-73.2-33.7179.900000112.3S142A139-S142 PolarHBondContact O-N 2.76Å; A139-S142 PolarHBondContact O-OG 2.9Å
140L50.7Low49.7Very low119 Ų119130.5 Ų130.562%0.62373%0.728SS**Hα-helixtrans-74.5-29.8-176-147.683.4000113Q143L140-Q143 PolarHBondContact O-N 3.33Å
141E44.8Very low51.1Low160 Ų160132.4 Ų132.475%0.74873%0.73SS**Hα-helixtrans-74.3-26.5177.5-77.1-179.516100112.8Q143E141-Q143 VanDerWaalsContact C-N 3.27Å; E141-Q143 PolarHBondContact O-N 3.47Å
142S50.5Low52.6Low91 Ų91130 Ų13064%0.63671%0.712SS**Hα-helixtrans-71.8-19.7175.574.30000113.8A139A139-S142 PolarHBondContact O-N 2.76Å; A139-S142 PolarHBondContact O-OG 2.9Å
143Q55Low54.3Low157 Ų157133 Ų13373%0.73472%0.721SS**THydrogen-bonded Turntrans-91.1-5.2-177-81.9-170.1-43.600115L140 E141L140-Q143 PolarHBondContact O-N 3.33Å; E141-Q143 VanDerWaalsContact C-N 3.27Å; E141-Q143 PolarHBondContact O-N 3.47Å
144L52.6Low56Low152 Ų152131.5 Ų131.580%0.79671%0.709SS**THydrogen-bonded Turntrans-98.27-177.9-66.9176.3000114.4
145K64.3Low57.7Low184 Ų184125.4 Ų125.480%0.870%0.7SS**SBendtrans-80.8121.4173.2-157.1166.7-172.2175.30109.9P147K145-P147 WeakPolarHBondContact O-CD 3.42Å
146F45.5Very low59.1Low181 Ų181129.2 Ų129.279%0.79470%0.704SS**  trans-54.9119.4179.2-160.5-98000109.8G148F146-G148 PolarHBondContact O-N 3.5Å
147P66.3Low59.7Low126 Ų126132.5 Ų132.582%0.81872%0.715SS**  trans-77.5-1.2-175.831.3-35.5000112.9K145 V149K145-P147 WeakPolarHBondContact O-CD 3.42Å; P147-V149 PolarHBondContact O-N 3.5Å
148G61.3Low60.2Low43 Ų43127.2 Ų127.244%0.44370%0.699SS.*  trans-79.6116.7-173.900000112.8F146 G150F146-G148 PolarHBondContact O-N 3.5Å; G148-G150 PolarHBondContact O-N 2.88Å
149V72Confident60.5Low137 Ų137127 Ų12783%0.8370%0.697SS**  trans-71.7115.7164.3-176.70000108.3P147 R151P147-V149 PolarHBondContact O-N 3.5Å; V149-R151 PolarHBondContact O-N 2.81Å
150G61Low60.4Low64 Ų64133 Ų13366%0.6672%0.715SS**PPolyproline II helixtrans-64.2121.6177.100000111.3G148G148-G150 PolarHBondContact O-N 2.88Å
151R70.1Confident60.3Low239 Ų239136 Ų13690%0.90273%0.725SS**PPolyproline II helixtrans-90.2132.5169.8-71.8-171.3178.4-165.1-0.4109.3V149V149-R151 PolarHBondContact O-N 2.81Å
152R67.5Low59.9Low143 Ų143136.3 Ų136.354%0.5473%0.732SS.*PPolyproline II helixtrans-65.9137.7173.1-54.9172.358.999.2-0.1109.6D154 G155 V158R152-D154 WeakPolarHBondContact CB-OD1 3.15Å; R152-D154 IonicContact CZ-OD1 3.91Å; R152-D154 IonicContact CZ-OD2 3.4Å; R152-D154 IonicContact NE-OD1 2.98Å; R152-D154 PolarHBondContact NE-OD1 2.99Å; R152-D154 IonicContact NE-OD2 3.17Å; R152-D154 PolarHBondContact NE-OD2 2.85Å; R152-D154 VanDerWaalsContact NE-OD2 3.17Å; R152-D154 IonicContact NH2-OD1 3.95Å; R152-D154 IonicContact NH2-OD2 2.76Å; R152-D154 PolarHBondContact NH2-OD2 2.88Å; R152-D154 PolarHBondContact O-N 2.9Å; R152-G155 PolarHBondContact O-N 2.88Å; R152-V158 HydrophobicContact CG-CG2 3.8Å
153V70.2Confident59.4Low159 Ų159135 Ų13596%0.96473%0.733SS**THydrogen-bonded Turntrans-70-13.9-179.8-144.20000112.3G155V153-G155 VanDerWaalsContact C-N 3.33Å
154D76.4Confident58.6Low78 Ų78135.4 Ų135.442%0.41774%0.74SS.*THydrogen-bonded Turntrans-86.95.8178.465-8.5000113.8R152 K156R152-D154 WeakPolarHBondContact CB-OD1 3.15Å; R152-D154 IonicContact CZ-OD1 3.91Å; R152-D154 IonicContact CZ-OD2 3.4Å; R152-D154 IonicContact NE-OD1 2.98Å; R152-D154 PolarHBondContact NE-OD1 2.99Å; R152-D154 IonicContact NE-OD2 3.17Å; R152-D154 PolarHBondContact NE-OD2 2.85Å; R152-D154 VanDerWaalsContact NE-OD2 3.17Å; R152-D154 IonicContact NH2-OD1 3.95Å; R152-D154 IonicContact NH2-OD2 2.76Å; R152-D154 PolarHBondContact NH2-OD2 2.88Å; R152-D154 PolarHBondContact O-N 2.9Å; D154-K156 PolarHBondContact O-N 3.04Å
155G69.4Low58Low74 Ų74132.7 Ų132.776%0.76374%0.74SS**  trans67.55.5173.800000115.2R152 V153R152-G155 PolarHBondContact O-N 2.88Å; V153-G155 VanDerWaalsContact C-N 3.33Å
156K74.9Confident57.1Low151 Ų151129.9 Ų129.966%0.65774%0.74SS**  trans-84.6133.7175.7-73-179.7178.8176.10110.1D154 V158D154-K156 PolarHBondContact O-N 3.04Å; K156-V158 PolarHBondContact O-N 3.36Å
157H58.6Low56.6Low192 Ų192124.9 Ų124.989%0.88974%0.74SS**  trans-57.4129.4175.2-125.4-95.5000109.7A159H157-A159 PolarHBondContact O-N 3.26Å
158V55.6Low54.9Low81 Ų81125.5 Ų125.549%0.49175%0.746SS.*  trans-65.8115.5170.5178.50000106.5R152 K156 E160R152-V158 HydrophobicContact CG-CG2 3.8Å; K156-V158 PolarHBondContact O-N 3.36Å; V158-E160 PolarHBondContact O-N 3.03Å
159A55.2Low53.9Low76 Ų76128.6 Ų128.663%0.62876%0.761SS**  trans-69.5119.5168.700000107.8H157 Q161H157-A159 PolarHBondContact O-N 3.26Å; A159-Q161 PolarHBondContact O-N 2.86Å
160E46.2Very low52Low187 Ų187126.8 Ų126.887%0.87476%0.76SS**  trans-60.3104.3170.5-71.6177.5157.700108.5V158V158-E160 PolarHBondContact O-N 3.03Å
161Q48.8Very low50.8Low180 Ų180129.4 Ų129.484%0.84177%0.768SS**  trans-108.198.7164.6-70.4-1703.400107.7A159 G163A159-Q161 PolarHBondContact O-N 2.86Å; Q161-G163 PolarHBondContact O-N 3.35Å
162N35.5Very low49.1Very low167 Ų167124.8 Ų124.889%0.89377%0.767SS**  trans-67.2107.7155.2-71-31.6000106.7
163G41.8Very low47.7Very low65 Ų65122.3 Ų122.367%0.6777%0.772SS**  trans-175.9120176.800000111.8Q161Q161-G163 PolarHBondContact O-N 3.35Å
164D38.3Very low46Very low164 Ų164124.3 Ų124.388%0.87776%0.762SS**PPolyproline II helixtrans-53.5136.7174-60.1-67.3000111.4
165A40.2Very low44Very low95 Ų95132.1 Ų132.179%0.78579%0.786SS**PPolyproline II helixtrans-66.7131.1174.200000109.9
166P44.2Very low42.3Very low125 Ų125132.7 Ų132.781%0.81278%0.783SS**PPolyproline II helixtrans-75.8133.917629.8-30000110.1
167G36.2Very low40.8Very low77 Ų77133.6 Ų133.679%0.79480%0.795SS**PPolyproline II helixtrans-61.5136.5178.800000113.1S169G167-S169 PolarHBondContact O-N 3.34Å
168C29.3Very low39.5Very low138 Ų138130.4 Ų130.493%0.93279%0.79SS**  trans-78.3110.9174.4-171.10000109.6
169S40.8Very low38.9Very low109 Ų109133 Ų13376%0.76281%0.805SS**  trans-92.8129.9171.457.80000110.8G167G167-S169 PolarHBondContact O-N 3.34Å
170A32.1Very low37.8Very low98 Ų98138 Ų13881%0.8182%0.815SS**  trans-60.2141.9179.600000114.1
171S36.7Very low37.5Very low119 Ų119135.8 Ų135.883%0.83281%0.814SS**  trans-137.7113.4161.576.30000110.6
172T33Very low36.8Very low142 Ų142130.5 Ų130.587%0.87181%0.808SS**  trans-103.1122.8173.9-41.40000108.7
173S37.7Very low36.6Very low92 Ų92132 Ų13264%0.64381%0.81SS**  trans-164.4143155.159.30000112.8
174R35Very low36.3Very low201 Ų201132.4 Ų132.476%0.75881%0.814SS**  trans82.4127.1167.1-55.1174.9-167151.55.9114.7
175W35.7Very low36Very low241 Ų241134.3 Ų134.391%0.91382%0.817SS**  cis-152.4146.941.6-71.4-81.6000112.8
176A32.3Very low35.7Very low86 Ų86139.4 Ų139.471%0.71183%0.825SS**  trans-103150.7165.900000109.6
177N42.9Very low35Very low170 Ų170138.2 Ų138.291%0.90983%0.826SS**  trans-152.7125.7153.4-92-25.4000110.6
178T32.6Very low34.7Very low126 Ų126144.6 Ų144.677%0.77383%0.831SS**  trans-107.5142.8175.2-67.10000108.8
179V42.7Very low34.8Very low134 Ų134149.4 Ų149.481%0.81283%0.83SS**  trans-133.3131.9165.5-179.60000109.5V181V179-V181 HydrophobicContact CG1-CG2 4.45Å
180Q32.3Very low34.5Very low181 Ų181154.7 Ų154.785%0.84684%0.835SS**  trans-102.6139.6171.5-66.8-155.3-20.300110.6
181V39.5Very low34.8Very low141 Ų141156 Ų15686%0.85584%0.835SS**  trans-138.2125.8163-176.40000108.5V179V179-V181 HydrophobicContact CG1-CG2 4.45Å
182G33.9Very low34.9Very low69 Ų69154.6 Ų154.671%0.71182%0.824SS**  trans-90.4170.9-173.700000115.8
183E32.1Very low35.5Very low200 Ų200156.5 Ų156.594%0.93583%0.829SS**SBendtrans46.2107.9163.3-62.3-169.815400120.1
184G34.9Very low35.5Very low72 Ų72160.3 Ų160.374%0.74284%0.837SS**SBendtrans90.1107.2146.600000116.5
185Q33.1Very low35.6Very low204 Ų204159.3 Ų159.395%0.95384%0.84SS**  trans85.9130.5164.2-57.2-176.7-29.700118.2
186Q32.8Very low35.8Very low203 Ų203151.5 Ų151.595%0.94982%0.82SS**  trans-79.6137.6-162.5-70169.7-24.700113.4
187A29.8Very low35.9Very low100 Ų100150.8 Ų150.883%0.82682%0.822SS**  trans-136133.3158.400000110.4
188K28.9Very low35.6Very low210 Ų210152.7 Ų152.791%0.91382%0.818SS**  trans-73.6123.2178.4-63.4174.8179.1176.70109.8
189R32.9Very low35.7Very low239 Ų239156.4 Ų156.490%0.90282%0.819SS**  trans-142.9125.1152.9-80-164.4174.8-174.6-2.2110.4
190Y32.8Very low35.7Very low220 Ų220156 Ų15686%0.86381%0.811SS**  trans-58.9126.9163.3-84.5-94.8000107.9C192Y190-C192 PolarHBondContact O-N 3.02Å; Y190-C192 VanDerWaalsContact O-N 3.14Å
191P39.3Very low36.2Very low127 Ų127152.3 Ų152.383%0.82580%0.803SS**SBendtrans-85.236.8176.334.4-32.5000111.7
192C38.5Very low36.4Very low88 Ų88153 Ų15360%0.59580%0.802SS**  trans-147.6110.2177.7-53.60000111.1Y190Y190-C192 PolarHBondContact O-N 3.02Å; Y190-C192 VanDerWaalsContact O-N 3.14Å
193D45.4Very low36.3Very low182 Ų182159 Ų15997%0.97380%0.803SS**  trans-85.619.7160.5-71-44.8000111.4
194E39.2Very low36.6Very low172 Ų172156.5 Ų156.580%0.80480%0.796SS**SBendtrans-123.3135.8-174-83.6173.3151.100112.9
195H35.8Very low36.7Very low181 Ų181160.2 Ų160.284%0.83879%0.789SS**  trans-54.3150.8175.1-66.8-59.7000111.4G197H195-G197 PolarHBondContact O-N 3.2Å
196P40.2Very low36.9Very low76 Ų76156.5 Ų156.549%0.49478%0.775SS.*  trans-52.6105.2179.422-32.6000110.2Y198P196-Y198 PolarHBondContact O-N 2.88Å; P196-Y198 VanDerWaalsContact O-N 3.1Å
197G34.6Very low37.4Very low72 Ų72155 Ų15574%0.74277%0.768SS**  trans-59.7113.2177.600000109.1H195 Y199H195-G197 PolarHBondContact O-N 3.2Å; G197-Y199 PolarHBondContact O-N 2.81Å
198Y36.9Very low38.3Very low209 Ų209157.5 Ų157.582%0.8277%0.768SS**  trans-63.6131169-75.2-92.2000108.2P196 I200P196-Y198 PolarHBondContact O-N 2.88Å; P196-Y198 VanDerWaalsContact O-N 3.1Å; Y198-I200 PolarHBondContact O-N 2.88Å; Y198-I200 VanDerWaalsContact O-N 3.09Å
199Y34.5Very low38.9Very low204 Ų204153.5 Ų153.580%0.876%0.755SS**  trans-57.2112.4164.3-117.2-96.5000107.5G197 P201G197-Y199 PolarHBondContact O-N 2.81Å; Y199-P201 VanDerWaalsContact O-CD 3.24Å; Y199-P201 WeakPolarHBondContact O-CD 3.19Å
200I42.7Very low39.1Very low126 Ų126148.1 Ų148.165%0.64674%0.743SS**  trans-96.795.7164.7-58.7173.8000104.4Y198Y198-I200 PolarHBondContact O-N 2.88Å; Y198-I200 VanDerWaalsContact O-N 3.09Å
201P42.4Very low39.4Very low103 Ų103142 Ų14267%0.66973%0.729SS**  trans-63140172.527.2-32.2000108.9Y199Y199-P201 VanDerWaalsContact O-CD 3.24Å; Y199-P201 WeakPolarHBondContact O-CD 3.19Å
202D42.7Very low39.8Very low157 Ų157144.9 Ų144.984%0.8473%0.729SS**  trans-43.7134.2-165.5-66-53.7000114.4N204D202-N204 VanDerWaalsContact C-N 3.35Å; D202-N204 PolarHBondContact O-N 3.48Å
203W32Very low40.3Very low194 Ų194150 Ų15074%0.73574%0.737SS**  trans-54.693169-74.612.1000110.6Y205W203-Y205 HydrophobicContact CB-CD2 3.97Å; W203-Y205 HydrophobicContact CB-CE2 4.2Å; W203-Y205 HydrophobicContact CD2-CD2 4.04Å; W203-Y205 AromaticContact CD2-CE2 3.43Å; W203-Y205 HydrophobicContact CD2-CE2 3.43Å; W203-Y205 VanDerWaalsContact CD2-CE2 3.43Å; W203-Y205 AromaticContact CE2-CE2 3.75Å; W203-Y205 HydrophobicContact CE3-CD2 4.07Å; W203-Y205 AromaticContact CE3-CE2 3.58Å; W203-Y205 HydrophobicContact CE3-CE2 3.58Å; W203-Y205 HydrophobicContact CG-CD2 4.02Å; W203-Y205 AromaticContact CG-CE2 3.73Å; W203-Y205 HydrophobicContact CG-CE2 3.73Å; W203-Y205 HydrophobicContact CH2-CE2 4.29Å; W203-Y205 HydrophobicContact CZ2-CE2 4.18Å; W203-Y205 HydrophobicContact CZ3-CE2 4.01Å
204N38.4Very low41Very low148 Ų148145.2 Ų145.279%0.79172%0.716SS**  trans-106.887.8148.7-15123.3000106.8D202 D206D202-N204 VanDerWaalsContact C-N 3.35Å; D202-N204 PolarHBondContact O-N 3.48Å; N204-D206 VanDerWaalsContact C-N 3.32Å; N204-D206 PolarHBondContact O-N 3.41Å
205Y37.5Very low41.9Very low150 Ų150139.9 Ų139.959%0.58870%0.696SS**  trans-67.588.9174.2-92.5-99000109W203W203-Y205 HydrophobicContact CB-CD2 3.97Å; W203-Y205 HydrophobicContact CB-CE2 4.2Å; W203-Y205 HydrophobicContact CD2-CD2 4.04Å; W203-Y205 AromaticContact CD2-CE2 3.43Å; W203-Y205 HydrophobicContact CD2-CE2 3.43Å; W203-Y205 VanDerWaalsContact CD2-CE2 3.43Å; W203-Y205 AromaticContact CE2-CE2 3.75Å; W203-Y205 HydrophobicContact CE3-CD2 4.07Å; W203-Y205 AromaticContact CE3-CE2 3.58Å; W203-Y205 HydrophobicContact CE3-CE2 3.58Å; W203-Y205 HydrophobicContact CG-CD2 4.02Å; W203-Y205 AromaticContact CG-CE2 3.73Å; W203-Y205 HydrophobicContact CG-CE2 3.73Å; W203-Y205 HydrophobicContact CH2-CE2 4.29Å; W203-Y205 HydrophobicContact CZ2-CE2 4.18Å; W203-Y205 HydrophobicContact CZ3-CE2 4.01Å
206D37.6Very low43.2Very low126 Ų126137.6 Ų137.667%0.67470%0.701SS**  trans-93.1110.7143.2-79.3-23.8000105.8N204 N208N204-D206 VanDerWaalsContact C-N 3.32Å; N204-D206 PolarHBondContact O-N 3.41Å; D206-N208 PolarHBondContact O-N 2.86Å
207E43.5Very low44.2Very low171 Ų171142.1 Ų142.180%0.79971%0.708SS**THydrogen-bonded Turntrans-61.514.2-166.7-63.3-177.915400116.2
208N47.7Very low45.7Very low153 Ų153142.3 Ų142.382%0.81869%0.689SS**THydrogen-bonded Turntrans-141.17.8-170.3-73.2-49.2000116.4D206D206-N208 PolarHBondContact O-N 2.86Å
209I41.6Very low47Very low125 Ų125138 Ų13864%0.64167%0.674SS**  trans-142.2106.2-177.5-54179.4000112T211I209-T211 HydrophobicContact CG2-CG2 3.74Å
210L37.6Very low48.3Very low126 Ų126137 Ų13766%0.6668%0.677SS**  trans-106.198.5162.8-82.2164.7000108.3
211T40.2Very low49.6Very low91 Ų91134 Ų13456%0.55868%0.678SS**  trans-106113.8173.746.80000111I209 Y213I209-T211 HydrophobicContact CG2-CG2 3.74Å; T211-Y213 PolarHBondContact O-N 3.38Å; T211-Y213 VanDerWaalsContact O-N 3.1Å
212F47.5Very low51Low188 Ų188133.6 Ų133.683%0.82567%0.667SS**  trans-81.950.9175.7-72-84.7000112.8
213Y49.2Very low52.2Low196 Ų196128.2 Ų128.277%0.76964%0.637SS**PPolyproline II helixtrans-85.8124.2169.4-74.4-72.3000109.8T211T211-Y213 PolarHBondContact O-N 3.38Å; T211-Y213 VanDerWaalsContact O-N 3.1Å
214P59.5Low54.1Low82 Ų82120.8 Ų120.853%0.53261%0.612SS.*PPolyproline II helixtrans-57.8136.9169.223.8-30.9000108.6F218P214-F218 HydrophobicContact CB-CB 4.01Å; P214-F218 HydrophobicContact CB-CD1 3.59Å; P214-F218 HydrophobicContact CB-CE1 4.33Å; P214-F218 HydrophobicContact CB-CG 3.97Å; P214-F218 HydrophobicContact CG-CD1 4.48Å
215P58.8Low55.2Low59 Ų59119.3 Ų119.338%0.38362%0.62SS.*PPolyproline II helixtrans-53.6151177.6-25.333000111.6W217 F218P215-W217 HydrophobicContact CB-CD2 3.79Å; P215-W217 HydrophobicContact CB-CG 4.07Å; P215-W217 HydrophobicContact CB-CH2 4.4Å; P215-W217 HydrophobicContact CB-CZ2 3.67Å; P215-W217 VanDerWaalsContact CB-NE1 3.27Å; P215-W217 HydrophobicContact CG-CD2 4.48Å; P215-W217 HydrophobicContact CG-CH2 4.05Å; P215-W217 HydrophobicContact CG-CZ2 3.53Å; P215-W217 PolarHBondContact O-N 2.81Å; P215-F218 VanDerWaalsContact O-CB 3.28Å; P215-F218 WeakPolarHBondContact O-CB 3.46Å; P215-F218 PolarHBondContact O-N 3.25Å
216S61.4Low56.4Low134 Ų134119.1 Ų119.194%0.93762%0.618SS**THydrogen-bonded Turntrans-58.7-18.6-178.459.10000114.7
217W62.6Low57.3Low171 Ų171115 Ų11565%0.64861%0.605SS**THydrogen-bonded Turntrans-88.6-10.7174.753.9-103.8000113.9P215 K219 M223P215-W217 HydrophobicContact CB-CD2 3.79Å; P215-W217 HydrophobicContact CB-CG 4.07Å; P215-W217 HydrophobicContact CB-CH2 4.4Å; P215-W217 HydrophobicContact CB-CZ2 3.67Å; P215-W217 VanDerWaalsContact CB-NE1 3.27Å; P215-W217 HydrophobicContact CG-CD2 4.48Å; P215-W217 HydrophobicContact CG-CH2 4.05Å; P215-W217 HydrophobicContact CG-CZ2 3.53Å; P215-W217 PolarHBondContact O-N 2.81Å; W217-K219 PolarHBondContact O-N 3.26Å; W217-M223 HydrophobicContact CE3-CE 4.09Å; W217-M223 HydrophobicContact CZ3-CE 3.64Å
218F65.1Low58.3Low76 Ų76113.5 Ų113.533%0.33359%0.592SS.*  trans-76.4122.1176.8-177.9-92.1000109.7P214 P215 M223P214-F218 HydrophobicContact CB-CB 4.01Å; P214-F218 HydrophobicContact CB-CD1 3.59Å; P214-F218 HydrophobicContact CB-CE1 4.33Å; P214-F218 HydrophobicContact CB-CG 3.97Å; P214-F218 HydrophobicContact CG-CD1 4.48Å; P215-F218 VanDerWaalsContact O-CB 3.28Å; P215-F218 WeakPolarHBondContact O-CB 3.46Å; P215-F218 PolarHBondContact O-N 3.25Å; F218-M223 HydrophobicContact CD2-CG 4.42Å; F218-M223 HydrophobicContact CE2-CB 4.2Å; F218-M223 HydrophobicContact CE2-CG 4.4Å
219K64.3Low59.3Low119 Ų119110.5 Ų110.552%0.51758%0.581SS.*  trans-115.1121.5172.7-65.3-166.5-162161.10110.1W217 G221 E222W217-K219 PolarHBondContact O-N 3.26Å; K219-G221 PolarHBondContact O-N 3.21Å; K219-E222 HydrophobicContact CB-CB 4.1Å; K219-E222 HydrophobicContact CB-CG 4.02Å; K219-E222 WeakPolarHBondContact CD-OE2 3.31Å; K219-E222 IonicContact NZ-OE1 3.65Å; K219-E222 IonicContact NZ-OE2 3.87Å; K219-E222 PolarHBondContact O-N 3.08Å
220E61.9Low60.4Low182 Ų182109.4 Ų109.485%0.8558%0.576SS**THydrogen-bonded Turntrans-56.4125.2176-158.3118.1-13200109.9
221G69.9Low61.8Low64 Ų64111.3 Ų111.366%0.6658%0.579SS**THydrogen-bonded Turntrans84.50.9-177.800000116.4K219 L230K219-G221 PolarHBondContact O-N 3.21Å; G221-L230 WeakPolarHBondContact O-CD1 3.34Å
222E72.7Confident62.4Low94 Ų94114.6 Ų114.644%0.43959%0.591SS.*THydrogen-bonded Turntrans-101.6-11.1170.9-69.1-169.6179.300113.6K219 P229 L230K219-E222 HydrophobicContact CB-CB 4.1Å; K219-E222 HydrophobicContact CB-CG 4.02Å; K219-E222 WeakPolarHBondContact CD-OE2 3.31Å; K219-E222 IonicContact NZ-OE1 3.65Å; K219-E222 IonicContact NZ-OE2 3.87Å; K219-E222 PolarHBondContact O-N 3.08Å; E222-P229 CarbonylContact O-C 3.51Å; E222-P229 WeakPolarHBondContact O-CA 3.18Å; E222-L230 PolarHBondContact O-N 3.04Å
223M66.6Low62.3Low44 Ų44115 Ų11522%0.21759%0.593CS.*BIsolated β-bridgetrans-124.3143.8-176.5-62.3-75.9-132.200111.9W217 F218 G227 R228 P229 L230W217-M223 HydrophobicContact CE3-CE 4.09Å; W217-M223 HydrophobicContact CZ3-CE 3.64Å; F218-M223 HydrophobicContact CD2-CG 4.42Å; F218-M223 HydrophobicContact CE2-CB 4.2Å; F218-M223 HydrophobicContact CE2-CG 4.4Å; M223-G227 VanDerWaalsContact CE-O 3.27Å; M223-G227 WeakPolarHBondContact CE-O 3.09Å; M223-R228 CarbonylContact C-O 3.47Å; M223-R228 VanDerWaalsContact CA-O 3.23Å; M223-R228 WeakPolarHBondContact CA-O 3.41Å; M223-P229 HydrophobicContact SD-CG 4.21Å; M223-L230 VanDerWaalsContact C-CG 3.5Å; M223-L230 WeakPolarHBondContact O-CD1 3.49Å
224D72.2Confident61.9Low38 Ų38114.9 Ų114.920%0.20360%0.597CS.*  trans-72.3170.1167.975.61.7000110.7R226 G227 R228 L230D224-R226 PolarHBondContact O-N 2.96Å; D224-R226 WeakPolarHBondContact OD1-CA 3.39Å; D224-R226 WeakPolarHBondContact OD1-CB 3.35Å; D224-R226 PolarHBondContact OD1-N 3.39Å; D224-G227 PolarHBondContact O-N 3.32Å; D224-G227 PolarHBondContact OD1-N 3.05Å; D224-R228 PolarHBondContact N-O 2.78Å; D224-R228 WeakPolarHBondContact OD1-CB 3.46Å; D224-R228 PolarHBondContact OD1-N 3.22Å; D224-R228 IonicContact OD1-NE 3.78Å; D224-R228 IonicContact OD2-CZ 3.19Å; D224-R228 IonicContact OD2-NE 2.82Å; D224-R228 PolarHBondContact OD2-NE 2.9Å; D224-R228 IonicContact OD2-NH2 2.72Å; D224-R228 PolarHBondContact OD2-NH2 3.28Å; D224-L230 HydrophobicContact CB-CD2 3.83Å
225A61.8Low60.9Low116 Ų116119.1 Ų119.196%0.95961%0.611SS**THydrogen-bonded Turntrans-61.2-1.6179.200000114.5
226R61.6Low60.2Low147 Ų147121.8 Ų121.856%0.55563%0.629SS**THydrogen-bonded Turntrans-111.210175.5-58.1-175.9-179-172.2-0.1112.5D224D224-R226 PolarHBondContact O-N 2.96Å; D224-R226 WeakPolarHBondContact OD1-CA 3.39Å; D224-R226 WeakPolarHBondContact OD1-CB 3.35Å; D224-R226 PolarHBondContact OD1-N 3.39Å
227G58Low58.9Low39 Ų39120.6 Ų120.640%0.40262%0.621SS.*SBendtrans74.620.5179.500000114.5M223 D224M223-G227 VanDerWaalsContact CE-O 3.27Å; M223-G227 WeakPolarHBondContact CE-O 3.09Å; D224-G227 PolarHBondContact O-N 3.32Å; D224-G227 PolarHBondContact OD1-N 3.05Å
228R64.2Low57.9Low139 Ų139120.5 Ų120.553%0.52563%0.627SS.*  trans-97.1141.5176.3-58.1179.9-63.8179.32.5110.7M223 D224 L230M223-R228 CarbonylContact C-O 3.47Å; M223-R228 VanDerWaalsContact CA-O 3.23Å; M223-R228 WeakPolarHBondContact CA-O 3.41Å; D224-R228 PolarHBondContact N-O 2.78Å; D224-R228 WeakPolarHBondContact OD1-CB 3.46Å; D224-R228 PolarHBondContact OD1-N 3.22Å; D224-R228 IonicContact OD1-NE 3.78Å; D224-R228 IonicContact OD2-CZ 3.19Å; D224-R228 IonicContact OD2-NE 2.82Å; D224-R228 PolarHBondContact OD2-NE 2.9Å; D224-R228 IonicContact OD2-NH2 2.72Å; D224-R228 PolarHBondContact OD2-NH2 3.28Å; R228-L230 PolarHBondContact O-N 2.7Å
229P68.8Low56.6Low91 Ų91124 Ų12459%0.59165%0.649SS**BIsolated β-bridgetrans-57.7126.9178.1-21.530.6000112E222 M223 K231E222-P229 CarbonylContact O-C 3.51Å; E222-P229 WeakPolarHBondContact O-CA 3.18Å; M223-P229 HydrophobicContact SD-CG 4.21Å; P229-K231 PolarHBondContact O-N 3.48Å
230L65.3Low55.4Low102 Ų102124 Ų12453%0.53466%0.664SS.*SBendtrans-68.1-20.6175-73.3168.6000112.4G221 E222 M223 D224 R228G221-L230 WeakPolarHBondContact O-CD1 3.34Å; E222-L230 PolarHBondContact O-N 3.04Å; M223-L230 VanDerWaalsContact C-CG 3.5Å; M223-L230 WeakPolarHBondContact O-CD1 3.49Å; D224-L230 HydrophobicContact CB-CD2 3.83Å; R228-L230 PolarHBondContact O-N 2.7Å
231K65.4Low54.7Low166 Ų166119.5 Ų119.572%0.72266%0.658SS**SBendtrans-107.1104.6175.8-68.8178.4-176.8170.30109.6P229 F233P229-K231 PolarHBondContact O-N 3.48Å; K231-F233 PolarHBondContact O-N 3.3Å; K231-F233 VanDerWaalsContact O-N 3.13Å
232I53.7Low53.4Low159 Ų159124.3 Ų124.382%0.81567%0.669SS**  trans-61.2113.2162.8-62168.8000106.3K234I232-K234 PolarHBondContact O-N 2.97Å
233F44.6Very low51.5Low197 Ų197125.2 Ų125.286%0.86469%0.685SS**  trans-55.7101.5168.7-110.6-89.9000107.8K231 M235K231-F233 PolarHBondContact O-N 3.3Å; K231-F233 VanDerWaalsContact O-N 3.13Å; F233-M235 PolarHBondContact O-N 3.29Å
234K41.5Very low50.5Low194 Ų194129 Ų12984%0.84371%0.712SS**  trans-74.7104.5169.9-156.6177.8-174.7-1770105.4I232I232-K234 PolarHBondContact O-N 2.97Å
235M38.6Very low48.9Very low170 Ų170136.2 Ų136.284%0.83774%0.742SS**  trans-57.1134174-72.9-161173.500109F233 S237F233-M235 PolarHBondContact O-N 3.29Å; M235-S237 PolarHBondContact O-N 3.4Å; M235-S237 VanDerWaalsContact O-N 3.16Å
236P43.8Very low48.3Very low115 Ų115136.4 Ų136.475%0.74774%0.736SS**  trans-69.8113177.627-30.1000109E238P236-E238 PolarHBondContact O-N 3.45Å
237S33.2Very low47.7Very low110 Ų110137.6 Ų137.677%0.76975%0.748SS**  trans-84.397.9163.156.40000108.3M235M235-S237 PolarHBondContact O-N 3.4Å; M235-S237 VanDerWaalsContact O-N 3.16Å
238E42Very low47.2Very low169 Ų169143.5 Ų143.579%0.7977%0.765SS**  trans-136.9101.7169.3-66.7-173.417000106.7P236P236-E238 PolarHBondContact O-N 3.45Å
239N39.1Very low46.4Very low149 Ų149143.2 Ų143.280%0.79777%0.774SS**  71.9124.891.5-76.8-18.2000114.5
240S38.7Very low45.5Very low119 Ų119144.5 Ų144.583%0.83278%0.776SS**  trans62.2114.8157.362.10000119
241A47.7Very low45Very low88 Ų88147.4 Ų147.473%0.72779%0.787SS**  170.7122.8114.800000111.5
242D42.1Very low44.1Very low164 Ų164152.6 Ų152.688%0.87781%0.813SS**  trans57118.1140.2-64.2-35.1000122.5
243C32.2Very low43.6Very low114 Ų114152.3 Ų152.377%0.7781%0.813SS**  trans-82.3152.3167.4-160.50000110
244P45.6Very low43.6Very low122 Ų122149.9 Ų149.979%0.79281%0.811SS**  trans-129.7138.3133.433.9-23.1000112.7
245K38.8Very low43.7Very low191 Ų191147.4 Ų147.483%0.8381%0.809SS**  trans-71.7142168.2-62.7175.1177178.60109.7
246S49.1Very low44Very low120 Ų120146.1 Ų146.184%0.83981%0.807SS**  trans-150.9125.3145.154.90000109.5
247E48.9Very low44Very low172 Ų172148.1 Ų148.180%0.80481%0.811SS**  trans-67.8146.3-174.9-69.6161.2154.400112.9
248E48.1Very low44.7Very low162 Ų162150.6 Ų150.676%0.75781%0.814SS**  53.3108.7124.3-147.3170.1-148.700118.4
249N46.9Very low44.9Very low134 Ų134149.3 Ų149.372%0.71782%0.815SS**  179.9140112-96.1-37.4000114.6
250D50.4Low45.3Very low117 Ų117149.3 Ų149.363%0.62682%0.817SS**  trans78.8112.5139-72.5-45.6000123.4
251Q54.1Low45.9Very low164 Ų164151.8 Ų151.877%0.76682%0.816SS**  80.397.5127.1-65167.636.100119.8
252Q46.9Very low45.7Very low274 Ų274157.6 Ų157.6100%1.2882%0.824SS**  -168.60107.2-108171.9-0.900111.8

Retrieved 252 of 252 residues in 52.9 ms (Link to these results)