X5J510_MOUSE Loading...

IgM heavy chain VDJ region

AlphaFold DB , UniProt , Accession X5J510, Species MOUSE (Mus musculus, Mouse), Gene n/a, Length 112 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
1A83.3Confident95.4Very high110 Ų11073.9 Ų73.991%0.90945%0.45SS*.  0142.6000000107.6T107A1-T107 CarbonylContact C-O 3.52Å; A1-T107 WeakPolarHBondContact CA-O 3.31Å
2E92.3Very high95.6Very high87 Ų8768.1 Ų68.141%0.40741%0.414SS..EExtended strand (participates in β ladder)trans-117.9136.5-176.8-68.8-65.6163.200109.2V10 L12 T106 T107 L108 T109E2-V10 HydrophobicContact CB-CG2 4.16Å; E2-V10 HydrophobicContact CG-CG2 4.07Å; E2-L12 HydrophobicContact CG-CD2 3.82Å; E2-T106 HydrophobicContact CG-CG2 4.05Å; E2-T107 PolarHBondContact N-O 3.3Å; E2-L108 HydrophobicContact CB-CD1 3.75Å; E2-L108 WeakPolarHBondContact O-CA 3.32Å; E2-T109 PolarHBondContact O-N 2.9Å
3L95.4Very high95.7Very high126 Ų12668.5 Ų68.566%0.6642%0.422SS*.EExtended strand (participates in β ladder)trans-116.3124.5175-177.565.7000108.6T109 S111L3-T109 WeakPolarHBondContact CA-O 3.48Å; L3-T109 HydrophobicContact CD1-CG2 3.96Å; L3-S111 WeakPolarHBondContact CD1-OG 3.43Å
4A96.6Very high95.8Very high14 Ų1464.6 Ų64.612%0.11640%0.399CS..EExtended strand (participates in β ladder)trans-134.3154.8-177.900000111.5L78 L108 T109 V110 S111A4-L78 HydrophobicContact CB-CD1 3.5Å; A4-L78 VanDerWaalsContact CB-CD1 3.5Å; A4-L108 HydrophobicContact CB-CD1 4.19Å; A4-T109 PolarHBondContact N-O 2.68Å; A4-V110 CarbonylContact O-C 3.54Å; A4-V110 VanDerWaalsContact O-CA 3.25Å; A4-V110 WeakPolarHBondContact O-CA 3.42Å; A4-S111 PolarHBondContact O-N 2.76Å
5K97.1Very high95.8Very high135 Ų13570.7 Ų70.759%0.58742%0.417SS*.  trans-88.3153.6171.8-67.3-172.6175.3-170.90110.8G7 A8K5-G7 PolarHBondContact O-N 3.28Å; K5-A8 WeakPolarHBondContact O-CB 3.34Å; K5-A8 PolarHBondContact O-N 3.01Å; K5-A8 VanDerWaalsContact O-N 3.12Å
6P97.8Very high95.7Very high53 Ų5366.9 Ų66.934%0.34440%0.396SS..THydrogen-bonded Turntrans-51.9139.5168.8-24.833.3000111.7A8 L78 Y80 V110P6-A8 PolarHBondContact O-N 3.24Å; P6-L78 CarbonylContact C-O 3.59Å; P6-L78 WeakPolarHBondContact CA-O 3.44Å; P6-Y80 HydrophobicContact CG-CD1 4.43Å; P6-Y80 HydrophobicContact CG-CE1 3.74Å; P6-Y80 HydrophobicContact CG-CE2 4.12Å; P6-V110 HydrophobicContact CB-CG1 4.47Å; P6-V110 HydrophobicContact CG-CG1 4.05Å
7G96.8Very high95.5Very high54 Ų5468.8 Ų68.856%0.55741%0.414SS*.THydrogen-bonded Turntrans82.6-15.6-176.600000115.1K5 L78K5-G7 PolarHBondContact O-N 3.28Å; G7-L78 PolarHBondContact N-O 3.04Å
8A97.4Very high95.2Very high38 Ų3869.8 Ų69.831%0.31444%0.44SS..  trans-69.5169.8176.400000112.1K5 P6 S77 L78K5-A8 WeakPolarHBondContact O-CB 3.34Å; K5-A8 PolarHBondContact O-N 3.01Å; K5-A8 VanDerWaalsContact O-N 3.12Å; P6-A8 PolarHBondContact O-N 3.24Å; A8-S77 PolarHBondContact O-N 3.24Å; A8-L78 WeakPolarHBondContact O-CB 3.45Å; A8-L78 VanDerWaalsContact O-CG 3.29Å; A8-L78 WeakPolarHBondContact O-CG 3.32Å; A8-L78 PolarHBondContact O-N 2.97Å
9S97.4Very high94.8Very high67 Ų6768.9 Ų68.947%0.46943%0.428SS..  trans-116.8146.5168.4-59.40000109.9L75S9-L75 CarbonylContact C-O 3.57Å; S9-L75 WeakPolarHBondContact CA-O 3.36Å; S9-L75 WeakPolarHBondContact CB-O 3.13Å
10V97.5Very high94.7Very high15 Ų1569.9 Ų69.99%0.09143%0.434CS..EExtended strand (participates in β ladder)trans-129.2145.2175.769.50000109.9E2 L12 Q74 L75 L78 L108E2-V10 HydrophobicContact CB-CG2 4.16Å; E2-V10 HydrophobicContact CG-CG2 4.07Å; V10-L12 HydrophobicContact CG1-CD2 4.48Å; V10-L12 HydrophobicContact CG2-CD2 4.07Å; V10-Q74 CarbonylContact O-C 3.55Å; V10-Q74 VanDerWaalsContact O-CA 3.31Å; V10-Q74 WeakPolarHBondContact O-CA 3.2Å; V10-L75 HydrophobicContact CG1-CB 4.1Å; V10-L75 HydrophobicContact CG1-CD1 4.35Å; V10-L75 PolarHBondContact N-O 3.12Å; V10-L75 PolarHBondContact O-N 3.29Å; V10-L78 HydrophobicContact CB-CD1 4.15Å; V10-L78 HydrophobicContact CG1-CD1 3.91Å; V10-L78 HydrophobicContact CG1-CD2 4.39Å; V10-L108 HydrophobicContact CB-CD1 4.48Å; V10-L108 HydrophobicContact CG1-CD1 4.03Å; V10-L108 HydrophobicContact CG1-CD2 3.82Å; V10-L108 HydrophobicContact CG2-CD1 4.42Å
11K97.7Very high94.6Very high114 Ų11466.9 Ų66.950%0.49641%0.414SS..EExtended strand (participates in β ladder)trans-114.8109.4175.5-175177178.3-179.80109.4Y72K11-Y72 HydrophobicContact CD-CD1 4.32Å; K11-Y72 VanDerWaalsContact CE-CB 3.49Å; K11-Y72 HydrophobicContact CG-CD1 4.27Å
12L97.9Very high95.2Very high4 Ų464 Ų642%0.02139%0.385CS..EExtended strand (participates in β ladder)trans-88.1145.8174.3-54.4-175.1000109.7E2 V10 W28 Y72 M73 Y86 T106E2-L12 HydrophobicContact CG-CD2 3.82Å; V10-L12 HydrophobicContact CG1-CD2 4.48Å; V10-L12 HydrophobicContact CG2-CD2 4.07Å; L12-W28 HydrophobicContact CB-CH2 4.14Å; L12-W28 HydrophobicContact CB-CZ3 4Å; L12-Y72 CarbonylContact O-C 3.41Å; L12-Y72 WeakPolarHBondContact O-CA 3.33Å; L12-M73 HydrophobicContact CD1-CE 3.72Å; L12-M73 HydrophobicContact CG-CE 4.47Å; L12-M73 PolarHBondContact N-O 2.81Å; L12-M73 PolarHBondContact O-N 3.09Å; L12-Y86 HydrophobicContact CD1-CD1 4.37Å; L12-Y86 HydrophobicContact CD1-CD2 4.01Å; L12-Y86 HydrophobicContact CD1-CG 3.71Å; L12-T106 HydrophobicContact CD2-CG2 4.03Å
13S97.4Very high95.1Very high74 Ų7462.5 Ų62.552%0.51739%0.385SS..EExtended strand (participates in β ladder)trans-121.6149.8179.466.20000111.4A71 Y72S13-A71 CarbonylContact C-O 3.55Å; S13-A71 WeakPolarHBondContact CA-O 3.48Å; S13-Y72 VanDerWaalsContact CB-CD1 3.5Å; S13-Y72 VanDerWaalsContact CB-CE1 3.48Å
14C96.9Very high94.9Very high14 Ų1459.1 Ų59.110%0.09536%0.364CS..EExtended strand (participates in β ladder)trans-138.3106.1173.8179.20000108.9W28 T70 A71 C88C14-W28 HydrophobicContact CB-CH2 3.84Å; C14-W28 HydrophobicContact CB-CZ2 3.98Å; C14-T70 WeakPolarHBondContact O-CA 3.37Å; C14-A71 PolarHBondContact N-O 3.03Å; C14-A71 PolarHBondContact O-N 2.94Å; C14-C88 HydrophobicContact CB-CB 3.44Å; C14-C88 VanDerWaalsContact CB-CB 3.44Å; C14-C88 WeakPolarHBondContact CB-SG 3.46Å; C14-C88 WeakPolarHBondContact SG-CB 3.48Å; C14-C88 CovalentContact SG-SG 2.03Å; C14-C88 PolarHBondContact SG-SG 2.81Å
15K96.2Very high94.8Very high156 Ų15660.1 Ų60.168%0.67836%0.364SS*.EExtended strand (participates in β ladder)trans-90.6122.8-179.1-174.3172.6-176.5179.20110.3T70K15-T70 HydrophobicContact CB-CG2 4.45Å
16A93.8Very high94.8Very high10 Ų1053.9 Ų53.98%0.08334%0.337CS..  trans-73.9145173.400000111Y19 F21 S69A16-Y19 HydrophobicContact CB-CE1 3.7Å; A16-Y19 HydrophobicContact CB-CE2 3.98Å; A16-Y19 VanDerWaalsContact CB-OH 3.28Å; A16-Y19 WeakPolarHBondContact CB-OH 3.45Å; A16-F21 HydrophobicContact CB-CB 3.99Å; A16-F21 HydrophobicContact CB-CD2 3.49Å; A16-F21 VanDerWaalsContact CB-CD2 3.49Å; A16-F21 HydrophobicContact CB-CE2 4.27Å; A16-F21 HydrophobicContact CB-CG 4.02Å; A16-S69 WeakPolarHBondContact CB-O 3.25Å; A16-S69 PolarHBondContact N-O 2.92Å
17S91.4Very high94.7Very high99 Ų9951.6 Ų51.669%0.69232%0.322SS*.  trans-149.1141.5174.661.40000110.4Y19S17-Y19 WeakPolarHBondContact O-CD1 3.42Å
18G90.3Very high94.8Very high86 Ų8649.2 Ų49.289%0.88730%0.296SS*.SBendtrans78.215.5177.400000115.8
19Y88.3Confident94.8Very high54 Ų5447.6 Ų47.621%0.21228%0.283CS..SBendtrans-159.1164.8175.364.8-82.3000112.1A16 S17 F21 Y24 R90A16-Y19 HydrophobicContact CB-CE1 3.7Å; A16-Y19 HydrophobicContact CB-CE2 3.98Å; A16-Y19 VanDerWaalsContact CB-OH 3.28Å; A16-Y19 WeakPolarHBondContact CB-OH 3.45Å; S17-Y19 WeakPolarHBondContact O-CD1 3.42Å; Y19-F21 PolarHBondContact O-N 3.24Å; Y19-F21 VanDerWaalsContact O-N 3.12Å; Y19-Y24 AromaticContact CD2-CD2 3.29Å; Y19-Y24 HydrophobicContact CD2-CD2 3.29Å; Y19-Y24 AromaticContact CD2-CE2 3.53Å; Y19-Y24 HydrophobicContact CD2-CE2 3.53Å; Y19-Y24 HydrophobicContact CD2-CG 4.16Å; Y19-Y24 AromaticContact CE2-CD2 3.63Å; Y19-Y24 HydrophobicContact CE2-CD2 3.63Å; Y19-Y24 HydrophobicContact CE2-CE2 4.28Å; Y19-Y24 HydrophobicContact CE2-CG 4.09Å; Y19-Y24 HydrophobicContact CG-CD2 4.33Å; Y19-Y24 HydrophobicContact CG-CE2 4.17Å; Y19-R90 VanDerWaalsContact CE1-NH1 3.26Å
20T92.6Very high94.8Very high88 Ų8844.5 Ų44.554%0.5426%0.261SS..  trans-71.4101.6172.7-55.40000110.1T22 S23 Y24T20-T22 PolarHBondContact O-N 3.17Å; T20-T22 VanDerWaalsContact O-N 3.1Å; T20-S23 WeakPolarHBondContact CG2-OG 3.31Å; T20-S23 WeakPolarHBondContact O-CB 3.42Å; T20-S23 PolarHBondContact O-N 2.95Å; T20-Y24 WeakPolarHBondContact O-CD2 3.44Å
21F93.8Very high94.8Very high7 Ų747 Ų473%0.03127%0.271CS..G310 helixtrans-52.5-36.4-174.6175.6-127.1000114.2A16 Y19 S23 M26 P45 A64 A71A16-F21 HydrophobicContact CB-CB 3.99Å; A16-F21 HydrophobicContact CB-CD2 3.49Å; A16-F21 VanDerWaalsContact CB-CD2 3.49Å; A16-F21 HydrophobicContact CB-CE2 4.27Å; A16-F21 HydrophobicContact CB-CG 4.02Å; Y19-F21 PolarHBondContact O-N 3.24Å; Y19-F21 VanDerWaalsContact O-N 3.12Å; F21-S23 VanDerWaalsContact C-N 3.28Å; F21-S23 PolarHBondContact O-N 3.43Å; F21-M26 HydrophobicContact CE2-CE 4.02Å; F21-P45 HydrophobicContact CD1-CB 3.81Å; F21-P45 HydrophobicContact CD1-CG 4.31Å; F21-P45 HydrophobicContact CD2-CG 4.13Å; F21-P45 HydrophobicContact CE1-CB 3.44Å; F21-P45 VanDerWaalsContact CE1-CB 3.44Å; F21-P45 HydrophobicContact CE1-CG 3.89Å; F21-P45 HydrophobicContact CE2-CB 4.17Å; F21-P45 HydrophobicContact CE2-CG 3.66Å; F21-P45 HydrophobicContact CG-CB 4.36Å; F21-P45 HydrophobicContact CG-CG 4.44Å; F21-P45 HydrophobicContact CZ-CB 3.63Å; F21-P45 HydrophobicContact CZ-CG 3.53Å; F21-A64 HydrophobicContact CE1-CB 4.17Å; F21-A64 HydrophobicContact CZ-CB 4.1Å; F21-A71 HydrophobicContact CE2-CB 4.26Å; F21-A71 HydrophobicContact CZ-CB 3.98Å
22T93.9Very high94.7Very high48 Ų4844.2 Ų44.229%0.29426%0.258SS..G310 helixtrans-76.7-9.1-17952.50000114.6T20 Y24 K66T20-T22 PolarHBondContact O-N 3.17Å; T20-T22 VanDerWaalsContact O-N 3.1Å; T22-Y24 VanDerWaalsContact C-N 3.3Å; T22-K66 HydrophobicContact CG2-CG 4.25Å
23S91.2Very high94.3Very high57 Ų5749.7 Ų49.740%0.39929%0.294SS..G310 helixtrans-87.93.3178.3-59.70000113.3T20 F21 V93T20-S23 WeakPolarHBondContact CG2-OG 3.31Å; T20-S23 WeakPolarHBondContact O-CB 3.42Å; T20-S23 PolarHBondContact O-N 2.95Å; F21-S23 VanDerWaalsContact C-N 3.28Å; F21-S23 PolarHBondContact O-N 3.43Å; S23-V93 VanDerWaalsContact C-CG2 3.45Å; S23-V93 WeakPolarHBondContact O-CG2 3.41Å
24Y91.6Very high94Very high55 Ų5550.6 Ų50.622%0.21632%0.315CS..EExtended strand (participates in β ladder)trans-136149.1-176.4-64.6-92.3000110.8Y19 T20 T22 P45 R90 R91Y19-Y24 AromaticContact CD2-CD2 3.29Å; Y19-Y24 HydrophobicContact CD2-CD2 3.29Å; Y19-Y24 AromaticContact CD2-CE2 3.53Å; Y19-Y24 HydrophobicContact CD2-CE2 3.53Å; Y19-Y24 HydrophobicContact CD2-CG 4.16Å; Y19-Y24 AromaticContact CE2-CD2 3.63Å; Y19-Y24 HydrophobicContact CE2-CD2 3.63Å; Y19-Y24 HydrophobicContact CE2-CE2 4.28Å; Y19-Y24 HydrophobicContact CE2-CG 4.09Å; Y19-Y24 HydrophobicContact CG-CD2 4.33Å; Y19-Y24 HydrophobicContact CG-CE2 4.17Å; T20-Y24 WeakPolarHBondContact O-CD2 3.44Å; T22-Y24 VanDerWaalsContact C-N 3.3Å; Y24-P45 WeakPolarHBondContact O-CD 3.47Å; Y24-R90 HydrophobicContact CD1-CB 4.43Å; Y24-R90 HydrophobicContact CD1-CG 4.07Å; Y24-R90 HydrophobicContact CG-CB 4.5Å; Y24-R90 HydrophobicContact CG-CG 4.48Å; Y24-R91 CarbonylContact C-O 3.52Å; Y24-R91 VanDerWaalsContact CA-O 3.26Å; Y24-R91 WeakPolarHBondContact CA-O 3.4Å; Y24-R91 WeakPolarHBondContact CB-O 3.5Å
25W94Very high93.8Very high35 Ų3554.8 Ų54.813%0.13333%0.333CS..EExtended strand (participates in β ladder)trans-82.3139.5166.3-62.24.6000109.2Y42 N44 R90 R91W25-Y42 HydrophobicContact CB-CD2 4.43Å; W25-Y42 HydrophobicContact CD2-CD2 4.08Å; W25-Y42 AromaticContact CD2-CE2 3.93Å; W25-Y42 HydrophobicContact CD2-CE2 3.93Å; W25-Y42 HydrophobicContact CE3-CD1 4.09Å; W25-Y42 AromaticContact CE3-CD2 3.7Å; W25-Y42 HydrophobicContact CE3-CD2 3.7Å; W25-Y42 AromaticContact CE3-CE1 3.88Å; W25-Y42 HydrophobicContact CE3-CE1 3.88Å; W25-Y42 AromaticContact CE3-CE2 3.42Å; W25-Y42 HydrophobicContact CE3-CE2 3.42Å; W25-Y42 VanDerWaalsContact CE3-CE2 3.42Å; W25-Y42 HydrophobicContact CE3-CG 4.06Å; W25-Y42 AromaticContact CE3-CZ 3.54Å; W25-Y42 HydrophobicContact CG-CD2 4.41Å; W25-Y42 HydrophobicContact CH2-CE2 4.32Å; W25-Y42 HydrophobicContact CZ3-CD1 4.45Å; W25-Y42 HydrophobicContact CZ3-CD2 4.36Å; W25-Y42 AromaticContact CZ3-CE1 3.79Å; W25-Y42 HydrophobicContact CZ3-CE1 3.79Å; W25-Y42 AromaticContact CZ3-CE2 3.65Å; W25-Y42 HydrophobicContact CZ3-CE2 3.65Å; W25-Y42 AromaticContact CZ3-CZ 3.34Å; W25-Y42 WeakPolarHBondContact CZ3-OH 3.48Å; W25-N44 PolarHBondContact NE1-ND2 3.13Å; W25-R90 WeakPolarHBondContact O-CA 3.16Å; W25-R91 PolarHBondContact N-O 3.46Å; W25-R91 PolarHBondContact O-N 3.41Å
26M96.3Very high93.6Very high4 Ų450 Ų502%0.0233%0.328CS..EExtended strand (participates in β ladder)trans-100.9113.9174.3-172.461.867.600109.7F21 Y42 I43 A71 C88F21-M26 HydrophobicContact CE2-CE 4.02Å; M26-Y42 CarbonylContact O-C 3.51Å; M26-Y42 WeakPolarHBondContact O-CA 3Å; M26-Y42 WeakPolarHBondContact O-CB 3.24Å; M26-I43 HydrophobicContact CB-CG2 4.02Å; M26-I43 PolarHBondContact N-O 2.94Å; M26-I43 PolarHBondContact O-N 2.96Å; M26-A71 HydrophobicContact CB-CB 3.99Å; M26-A71 HydrophobicContact CG-CB 3.56Å; M26-C88 HydrophobicContact CG-CB 4.44Å; M26-C88 HydrophobicContact SD-CB 3.71Å
27H97Very high93.7Very high5 Ų554.1 Ų54.12%0.02335%0.348CS..EExtended strand (participates in β ladder)trans-95.9147.9177.8-68.8-115.3000110.7W39 G41 Y42 C88 A89 F99H27-W39 AromaticContact CG-NE1 3.94Å; H27-W39 AromaticContact ND1-CD1 3.91Å; H27-W39 AromaticContact ND1-CE2 3.99Å; H27-W39 AromaticContact ND1-NE1 3.14Å; H27-W39 PolarHBondContact ND1-NE1 3.36Å; H27-W39 VanDerWaalsContact ND1-NE1 3.14Å; H27-G41 WeakPolarHBondContact CA-O 3.25Å; H27-Y42 AromaticContact CE1-CD1 3.39Å; H27-Y42 WeakPolarHBondContact CE1-CD1 3.34Å; H27-Y42 AromaticContact CE1-CG 3.79Å; H27-Y42 AromaticContact ND1-CD1 3.86Å; H27-Y42 AromaticContact NE2-CD1 3.96Å; H27-Y42 AromaticContact NE2-CG 3.97Å; H27-C88 CarbonylContact O-C 3.58Å; H27-C88 WeakPolarHBondContact O-CA 3.42Å; H27-A89 PolarHBondContact N-O 2.87Å; H27-A89 PolarHBondContact O-N 2.78Å; H27-F99 HydrophobicContact CB-CE1 3.73Å; H27-F99 HydrophobicContact CB-CZ 4.12Å; H27-F99 AromaticContact CD2-CE1 3.51Å; H27-F99 AromaticContact CE1-CE1 3.71Å; H27-F99 AromaticContact CE1-CZ 3.88Å; H27-F99 AromaticContact CG-CE1 3.28Å; H27-F99 AromaticContact CG-CZ 3.73Å; H27-F99 AromaticContact ND1-CE1 3.42Å; H27-F99 WeakPolarHBondContact ND1-CE1 3.21Å; H27-F99 AromaticContact ND1-CZ 3.43Å; H27-F99 WeakPolarHBondContact ND1-CZ 3.46Å; H27-F99 AromaticContact NE2-CE1 3.78Å
28W98.1Very high94Very high4 Ų451 Ų512%0.01532%0.322CS..EExtended strand (participates in β ladder)trans-118.9136.4174.4-69.489.7000110.1L12 C14 I40 G41 L62 A71 M73 Y87 C88L12-W28 HydrophobicContact CB-CH2 4.14Å; L12-W28 HydrophobicContact CB-CZ3 4Å; C14-W28 HydrophobicContact CB-CH2 3.84Å; C14-W28 HydrophobicContact CB-CZ2 3.98Å; W28-I40 HydrophobicContact CB-CB 4.12Å; W28-I40 HydrophobicContact CB-CD1 4.27Å; W28-I40 WeakPolarHBondContact O-CB 3.5Å; W28-I40 PolarHBondContact O-N 2.83Å; W28-G41 PolarHBondContact N-O 2.82Å; W28-L62 VanDerWaalsContact CD1-CD2 3.48Å; W28-L62 HydrophobicContact CG-CD2 4.01Å; W28-A71 HydrophobicContact CZ2-CB 4.33Å; W28-M73 HydrophobicContact CB-SD 3.96Å; W28-M73 HydrophobicContact CD2-CB 3.63Å; W28-M73 HydrophobicContact CD2-CE 4.43Å; W28-M73 HydrophobicContact CD2-CG 4.46Å; W28-M73 HydrophobicContact CD2-SD 4.15Å; W28-M73 HydrophobicContact CE3-CB 3.87Å; W28-M73 HydrophobicContact CE3-CE 3.86Å; W28-M73 HydrophobicContact CE3-SD 4.18Å; W28-M73 HydrophobicContact CG-CB 4.14Å; W28-M73 HydrophobicContact CG-SD 4.09Å; W28-M73 HydrophobicContact CH2-CB 4.09Å; W28-M73 HydrophobicContact CZ2-CB 3.88Å; W28-M73 HydrophobicContact CZ3-CB 4.1Å; W28-M73 HydrophobicContact CZ3-CE 4.34Å; W28-Y87 WeakPolarHBondContact CA-O 3.16Å; W28-C88 HydrophobicContact CD2-CB 4.49Å; W28-C88 HydrophobicContact CE3-CB 4.32Å; W28-C88 HydrophobicContact CH2-CB 4.43Å; W28-C88 HydrophobicContact CZ3-CB 4.29Å
29V97.8Very high94.3Very high4 Ų450.4 Ų50.42%0.02429%0.293CS..EExtended strand (participates in β ladder)trans-138.2135.7-173.6-176.40000109.2L37 E38 Y86 Y87 W102V29-L37 HydrophobicContact CG1-CB 3.78Å; V29-L37 HydrophobicContact CG1-CD2 3.94Å; V29-L37 HydrophobicContact CG1-CG 4.32Å; V29-E38 CarbonylContact C-O 3.54Å; V29-E38 WeakPolarHBondContact CA-O 3.41Å; V29-Y86 CarbonylContact O-C 3.59Å; V29-Y86 WeakPolarHBondContact O-CA 2.95Å; V29-Y87 PolarHBondContact N-O 3.38Å; V29-Y87 PolarHBondContact O-N 2.96Å; V29-W102 HydrophobicContact CB-CH2 4.14Å; V29-W102 HydrophobicContact CB-CZ3 3.86Å; V29-W102 HydrophobicContact CG1-CH2 4.1Å; V29-W102 HydrophobicContact CG1-CZ3 4.04Å; V29-W102 HydrophobicContact CG2-CH2 3.75Å; V29-W102 HydrophobicContact CG2-CZ3 3.87Å
30K97.6Very high94.7Very high2 Ų247.8 Ų47.81%0.00928%0.283CS..EExtended strand (participates in β ladder)trans-102.1138.4174.7-177.6178.3-177.6176.60109.5E38 I40 F56 E81 D82 A84 Y86K30-E38 HydrophobicContact CB-CB 4.35Å; K30-E38 PolarHBondContact N-O 2.77Å; K30-E38 PolarHBondContact O-N 3.48Å; K30-I40 HydrophobicContact CB-CD1 4.05Å; K30-I40 HydrophobicContact CB-CG1 4.22Å; K30-F56 HydrophobicContact CD-CE1 4Å; K30-F56 HydrophobicContact CD-CZ 4.1Å; K30-E81 WeakPolarHBondContact CE-O 3.34Å; K30-E81 PolarHBondContact NZ-O 2.77Å; K30-D82 IonicContact NZ-OD1 3.43Å; K30-D82 PolarHBondContact NZ-OD1 3.45Å; K30-A84 HydrophobicContact CD-CB 4.25Å; K30-A84 HydrophobicContact CG-CB 3.59Å; K30-Y86 HydrophobicContact CB-CD1 4.16Å; K30-Y86 HydrophobicContact CB-CE1 3.92Å; K30-Y86 HydrophobicContact CD-CE1 4Å; K30-Y86 HydrophobicContact CG-CD1 4.34Å; K30-Y86 HydrophobicContact CG-CE1 3.81Å
31Q97.4Very high95Very high67 Ų6743.6 Ų43.631%0.31326%0.258SS..EExtended strand (participates in β ladder)trans-129.1115.7170.3-167.8-178.629.100110L37 A84 V85 Y87Q31-L37 HydrophobicContact CB-CD2 3.86Å; Q31-L37 HydrophobicContact CG-CD2 3.94Å; Q31-A84 WeakPolarHBondContact O-CA 3.47Å; Q31-A84 VanDerWaalsContact O-CB 3.31Å; Q31-A84 WeakPolarHBondContact O-CB 3.19Å; Q31-V85 PolarHBondContact N-O 2.85Å; Q31-V85 PolarHBondContact O-N 3.05Å; Q31-Y87 HydrophobicContact CB-CD2 4.34Å; Q31-Y87 HydrophobicContact CB-CE2 3.78Å; Q31-Y87 PolarHBondContact OE1-OH 3.12Å
32R94.9Very high95.1Very high55 Ų5544.4 Ų44.421%0.20826%0.26CS..  trans-86.1149.4170.1-65.7-171.3-175.6126.9-12.2110.3G34 Q35 E38 E81 A84R32-G34 PolarHBondContact O-N 3.49Å; R32-Q35 HydrophobicContact CB-CB 4.02Å; R32-Q35 HydrophobicContact CB-CG 4.03Å; R32-Q35 PolarHBondContact O-N 2.9Å; R32-E38 IonicContact NH1-OE1 2.92Å; R32-E38 PolarHBondContact NH1-OE1 3.05Å; R32-E81 PolarHBondContact NE-O 2.95Å; R32-E81 PolarHBondContact NH2-O 2.81Å; R32-E81 VanDerWaalsContact NH2-O 3.13Å; R32-E81 IonicContact NH2-OE2 3.17Å; R32-A84 HydrophobicContact CG-CB 4.21Å
33P90.4Very high95.3Very high120 Ų12042.3 Ų42.378%0.77925%0.248SC*.THydrogen-bonded Turntrans-52.8126.9173.3-25.534.6000111.4Q35P33-Q35 PolarHBondContact O-N 2.91Å
34G91.2Very high95.5Very high93 Ų9340.7 Ų40.796%0.95923%0.234SC*.THydrogen-bonded Turntrans72.55.3-179.700000115.8R32R32-G34 PolarHBondContact O-N 3.49Å
35Q92.6Very high95.8Very high101 Ų10138.2 Ų38.247%0.47223%0.225SC..SBendtrans-113.9161.5176-57.6-171.72.400111.7R32 P33R32-Q35 HydrophobicContact CB-CB 4.02Å; R32-Q35 HydrophobicContact CB-CG 4.03Å; R32-Q35 PolarHBondContact O-N 2.9Å; P33-Q35 PolarHBondContact O-N 2.91Å
36G92.7Very high95.8Very high56 Ų5639.5 Ų39.558%0.57724%0.239SC*.  trans-68.1174.9173.400000113.2
37L95.3Very high95.8Very high97 Ų9743.1 Ų43.151%0.50827%0.265SS..EExtended strand (participates in β ladder)trans-73.2127.4174.6-64.6175.5000110.4V29 Q31 W102V29-L37 HydrophobicContact CG1-CB 3.78Å; V29-L37 HydrophobicContact CG1-CD2 3.94Å; V29-L37 HydrophobicContact CG1-CG 4.32Å; Q31-L37 HydrophobicContact CB-CD2 3.86Å; Q31-L37 HydrophobicContact CG-CD2 3.94Å; L37-W102 HydrophobicContact CD1-CH2 3.85Å; L37-W102 HydrophobicContact CD1-CZ2 4.48Å; L37-W102 HydrophobicContact CD1-CZ3 4.35Å
38E96.7Very high95.7Very high33 Ų3344.9 Ų44.915%0.15429%0.285CS..EExtended strand (participates in β ladder)trans-107112.3174.2-66.3-168.1-9000109.9V29 K30 R32 I40 K55 F56V29-E38 CarbonylContact C-O 3.54Å; V29-E38 WeakPolarHBondContact CA-O 3.41Å; K30-E38 HydrophobicContact CB-CB 4.35Å; K30-E38 PolarHBondContact N-O 2.77Å; K30-E38 PolarHBondContact O-N 3.48Å; R32-E38 IonicContact NH1-OE1 2.92Å; R32-E38 PolarHBondContact NH1-OE1 3.05Å; E38-I40 PolarHBondContact O-N 2.81Å; E38-K55 IonicContact OE2-NZ 3.61Å; E38-K55 PolarHBondContact OE2-NZ 2.88Å; E38-K55 VanDerWaalsContact OE2-NZ 3.17Å; E38-F56 HydrophobicContact CB-CE2 4.45Å; E38-F56 HydrophobicContact CB-CZ 4.38Å
39W96.8Very high95.6Very high73 Ų7351 Ų5128%0.27731%0.309SS..EExtended strand (participates in β ladder)trans-70.5126.6175.5179.170.5000110.8H27 G41 Y42 K51 N53H27-W39 AromaticContact CG-NE1 3.94Å; H27-W39 AromaticContact ND1-CD1 3.91Å; H27-W39 AromaticContact ND1-CE2 3.99Å; H27-W39 AromaticContact ND1-NE1 3.14Å; H27-W39 PolarHBondContact ND1-NE1 3.36Å; H27-W39 VanDerWaalsContact ND1-NE1 3.14Å; W39-G41 PolarHBondContact NE1-O 2.89Å; W39-Y42 HydrophobicContact CH2-CD1 4.21Å; W39-Y42 HydrophobicContact CH2-CE1 4.46Å; W39-Y42 AromaticContact CZ2-CD1 3.44Å; W39-Y42 HydrophobicContact CZ2-CD1 3.44Å; W39-Y42 VanDerWaalsContact CZ2-CD1 3.44Å; W39-Y42 HydrophobicContact CZ2-CE1 4.08Å; W39-Y42 HydrophobicContact CZ2-CG 4.28Å; W39-K51 HydrophobicContact CH2-CB 4.4Å; W39-K51 HydrophobicContact CH2-CD 4.38Å; W39-K51 HydrophobicContact CH2-CG 4.14Å; W39-N53 HydrophobicContact CE3-CB 3.84Å; W39-N53 HydrophobicContact CZ3-CB 3.94Å; W39-N53 WeakPolarHBondContact O-CB 3.43Å; W39-N53 PolarHBondContact O-ND2 2.7Å
40I98Very high95.6Very high0 Ų052.9 Ų52.90%032%0.321CS..EExtended strand (participates in β ladder)trans-90.6-49.7-177.9-61.1175.2000110.5W28 K30 E38 N53 F56 A60 M73 Y86W28-I40 HydrophobicContact CB-CB 4.12Å; W28-I40 HydrophobicContact CB-CD1 4.27Å; W28-I40 WeakPolarHBondContact O-CB 3.5Å; W28-I40 PolarHBondContact O-N 2.83Å; K30-I40 HydrophobicContact CB-CD1 4.05Å; K30-I40 HydrophobicContact CB-CG1 4.22Å; E38-I40 PolarHBondContact O-N 2.81Å; I40-N53 WeakPolarHBondContact O-CB 3.39Å; I40-N53 PolarHBondContact O-N 2.85Å; I40-F56 HydrophobicContact CB-CD2 4.31Å; I40-F56 HydrophobicContact CB-CG 4.29Å; I40-F56 HydrophobicContact CG1-CD1 4.23Å; I40-F56 HydrophobicContact CG1-CD2 4.24Å; I40-F56 HydrophobicContact CG1-CE1 4.22Å; I40-F56 HydrophobicContact CG1-CE2 4.21Å; I40-F56 HydrophobicContact CG1-CG 4.24Å; I40-F56 HydrophobicContact CG1-CZ 4.21Å; I40-F56 HydrophobicContact CG2-CB 3.74Å; I40-F56 HydrophobicContact CG2-CD1 4.27Å; I40-F56 HydrophobicContact CG2-CD2 4.36Å; I40-F56 HydrophobicContact CG2-CG 3.88Å; I40-A60 HydrophobicContact CG2-CB 3.79Å; I40-M73 HydrophobicContact CD1-CE 3.99Å; I40-M73 HydrophobicContact CD1-SD 3.56Å; I40-M73 VanDerWaalsContact CD1-SD 3.56Å; I40-M73 HydrophobicContact CG2-SD 3.99Å; I40-Y86 HydrophobicContact CD1-CD1 3.75Å; I40-Y86 HydrophobicContact CD1-CE1 3.79Å
41G97.4Very high95.6Very high0 Ų057.8 Ų57.80%034%0.342CS..EExtended strand (participates in β ladder)trans172177.2-169.400000112.3H27 W28 W39 K51H27-G41 WeakPolarHBondContact CA-O 3.25Å; W28-G41 PolarHBondContact N-O 2.82Å; W39-G41 PolarHBondContact NE1-O 2.89Å; G41-K51 CarbonylContact C-O 3.5Å; G41-K51 WeakPolarHBondContact CA-O 3.21Å
42Y97.1Very high95.6Very high23 Ų2357.2 Ų57.29%0.0934%0.337CS..EExtended strand (participates in β ladder)trans-141159.6167.267.8-108.5000111.8W25 M26 H27 W39 Y49 T50 K51W25-Y42 HydrophobicContact CB-CD2 4.43Å; W25-Y42 HydrophobicContact CD2-CD2 4.08Å; W25-Y42 AromaticContact CD2-CE2 3.93Å; W25-Y42 HydrophobicContact CD2-CE2 3.93Å; W25-Y42 HydrophobicContact CE3-CD1 4.09Å; W25-Y42 AromaticContact CE3-CD2 3.7Å; W25-Y42 HydrophobicContact CE3-CD2 3.7Å; W25-Y42 AromaticContact CE3-CE1 3.88Å; W25-Y42 HydrophobicContact CE3-CE1 3.88Å; W25-Y42 AromaticContact CE3-CE2 3.42Å; W25-Y42 HydrophobicContact CE3-CE2 3.42Å; W25-Y42 VanDerWaalsContact CE3-CE2 3.42Å; W25-Y42 HydrophobicContact CE3-CG 4.06Å; W25-Y42 AromaticContact CE3-CZ 3.54Å; W25-Y42 HydrophobicContact CG-CD2 4.41Å; W25-Y42 HydrophobicContact CH2-CE2 4.32Å; W25-Y42 HydrophobicContact CZ3-CD1 4.45Å; W25-Y42 HydrophobicContact CZ3-CD2 4.36Å; W25-Y42 AromaticContact CZ3-CE1 3.79Å; W25-Y42 HydrophobicContact CZ3-CE1 3.79Å; W25-Y42 AromaticContact CZ3-CE2 3.65Å; W25-Y42 HydrophobicContact CZ3-CE2 3.65Å; W25-Y42 AromaticContact CZ3-CZ 3.34Å; W25-Y42 WeakPolarHBondContact CZ3-OH 3.48Å; M26-Y42 CarbonylContact O-C 3.51Å; M26-Y42 WeakPolarHBondContact O-CA 3Å; M26-Y42 WeakPolarHBondContact O-CB 3.24Å; H27-Y42 AromaticContact CE1-CD1 3.39Å; H27-Y42 WeakPolarHBondContact CE1-CD1 3.34Å; H27-Y42 AromaticContact CE1-CG 3.79Å; H27-Y42 AromaticContact ND1-CD1 3.86Å; H27-Y42 AromaticContact NE2-CD1 3.96Å; H27-Y42 AromaticContact NE2-CG 3.97Å; W39-Y42 HydrophobicContact CH2-CD1 4.21Å; W39-Y42 HydrophobicContact CH2-CE1 4.46Å; W39-Y42 AromaticContact CZ2-CD1 3.44Å; W39-Y42 HydrophobicContact CZ2-CD1 3.44Å; W39-Y42 VanDerWaalsContact CZ2-CD1 3.44Å; W39-Y42 HydrophobicContact CZ2-CE1 4.08Å; W39-Y42 HydrophobicContact CZ2-CG 4.28Å; Y42-Y49 AromaticContact CE2-CD1 3.95Å; Y42-Y49 HydrophobicContact CE2-CD1 3.95Å; Y42-Y49 AromaticContact CE2-CE1 3.91Å; Y42-Y49 HydrophobicContact CE2-CE1 3.91Å; Y42-T50 VanDerWaalsContact O-CA 3.28Å; Y42-T50 WeakPolarHBondContact O-CA 3.12Å; Y42-K51 HydrophobicContact CD1-CB 4.2Å; Y42-K51 HydrophobicContact CD2-CB 4.5Å; Y42-K51 HydrophobicContact CE1-CB 3.64Å; Y42-K51 HydrophobicContact CE1-CD 3.75Å; Y42-K51 HydrophobicContact CE1-CG 4.26Å; Y42-K51 HydrophobicContact CE2-CB 4.01Å; Y42-K51 PolarHBondContact N-O 3.12Å; Y42-K51 PolarHBondContact O-N 2.92Å
43I97.5Very high95.7Very high5 Ų556.8 Ų56.83%0.02634%0.339CS..EExtended strand (participates in β ladder)trans-125.3135.9169.1-174.7165.4000109.7M26 P45 Y49 T50 L62 A64M26-I43 HydrophobicContact CB-CG2 4.02Å; M26-I43 PolarHBondContact N-O 2.94Å; M26-I43 PolarHBondContact O-N 2.96Å; I43-P45 VanDerWaalsContact O-CD 3.32Å; I43-P45 WeakPolarHBondContact O-CD 3.25Å; I43-Y49 CarbonylContact C-O 3.57Å; I43-Y49 WeakPolarHBondContact CA-O 3.22Å; I43-T50 HydrophobicContact CB-CG2 3.9Å; I43-T50 HydrophobicContact CD1-CG2 3.92Å; I43-T50 HydrophobicContact CG1-CG2 3.78Å; I43-L62 HydrophobicContact CB-CB 4.16Å; I43-L62 HydrophobicContact CG2-CB 4.48Å; I43-A64 HydrophobicContact CD1-CB 3.89Å; I43-A64 HydrophobicContact CG1-CB 4.5Å
44N96.1Very high96Very high22 Ų2257.7 Ų57.712%0.11833%0.333CS..  trans-84.6110.1163.5179.7-24.7000108.1W25 S46 S47 G48 Y49W25-N44 PolarHBondContact NE1-ND2 3.13Å; N44-S46 PolarHBondContact O-N 2.69Å; N44-S46 WeakPolarHBondContact OD1-CA 3.49Å; N44-S46 WeakPolarHBondContact OD1-CB 3.37Å; N44-S46 PolarHBondContact OD1-N 2.89Å; N44-S47 PolarHBondContact O-N 2.99Å; N44-S47 PolarHBondContact OD1-N 2.83Å; N44-G48 VanDerWaalsContact O-CA 3.31Å; N44-G48 WeakPolarHBondContact O-CA 3.27Å; N44-G48 PolarHBondContact O-N 3.43Å; N44-Y49 PolarHBondContact N-O 3.35Å
45P96Very high96.1Very high3 Ų360.4 Ų60.42%0.01932%0.318CS..THydrogen-bonded Turntrans-64.7-21.8-177.7-20.934.8000113.7F21 Y24 I43 A64 K66F21-P45 HydrophobicContact CD1-CB 3.81Å; F21-P45 HydrophobicContact CD1-CG 4.31Å; F21-P45 HydrophobicContact CD2-CG 4.13Å; F21-P45 HydrophobicContact CE1-CB 3.44Å; F21-P45 VanDerWaalsContact CE1-CB 3.44Å; F21-P45 HydrophobicContact CE1-CG 3.89Å; F21-P45 HydrophobicContact CE2-CB 4.17Å; F21-P45 HydrophobicContact CE2-CG 3.66Å; F21-P45 HydrophobicContact CG-CB 4.36Å; F21-P45 HydrophobicContact CG-CG 4.44Å; F21-P45 HydrophobicContact CZ-CB 3.63Å; F21-P45 HydrophobicContact CZ-CG 3.53Å; Y24-P45 WeakPolarHBondContact O-CD 3.47Å; I43-P45 VanDerWaalsContact O-CD 3.32Å; I43-P45 WeakPolarHBondContact O-CD 3.25Å; P45-A64 HydrophobicContact CB-CB 4Å; P45-K66 WeakPolarHBondContact O-CE 3.29Å
46S94.9Very high96.3Very high62 Ų6256.1 Ų56.143%0.43430%0.298SS..THydrogen-bonded Turntrans-72.3-50177.6-172.10000111.9N44 K66N44-S46 PolarHBondContact O-N 2.69Å; N44-S46 WeakPolarHBondContact OD1-CA 3.49Å; N44-S46 WeakPolarHBondContact OD1-CB 3.37Å; N44-S46 PolarHBondContact OD1-N 2.89Å; S46-K66 VanDerWaalsContact O-CE 3.29Å; S46-K66 WeakPolarHBondContact O-CE 3.38Å; S46-K66 PolarHBondContact O-NZ 2.83Å
47S95.3Very high96.4Very high80 Ų8059 Ų5956%0.55930%0.295SS*.THydrogen-bonded Turntrans-99-16.8-175.162.70000114.5N44 Y49N44-S47 PolarHBondContact O-N 2.99Å; N44-S47 PolarHBondContact OD1-N 2.83Å; S47-Y49 PolarHBondContact O-N 2.78Å; S47-Y49 WeakPolarHBondContact OG-CB 3.42Å; S47-Y49 PolarHBondContact OG-N 3.47Å
48G95.7Very high96.4Very high43 Ų4361.3 Ų61.344%0.44331%0.307SS..  trans74.33.8-169.500000113.8N44 T50N44-G48 VanDerWaalsContact O-CA 3.31Å; N44-G48 WeakPolarHBondContact O-CA 3.27Å; N44-G48 PolarHBondContact O-N 3.43Å; G48-T50 PolarHBondContact O-N 3.15Å
49Y96.4Very high96.3Very high131 Ų13161.4 Ų61.451%0.51431%0.308SS..  trans-61.3133.2177177.1-95000110.6Y42 I43 N44 S47 K51Y42-Y49 AromaticContact CE2-CD1 3.95Å; Y42-Y49 HydrophobicContact CE2-CD1 3.95Å; Y42-Y49 AromaticContact CE2-CE1 3.91Å; Y42-Y49 HydrophobicContact CE2-CE1 3.91Å; I43-Y49 CarbonylContact C-O 3.57Å; I43-Y49 WeakPolarHBondContact CA-O 3.22Å; N44-Y49 PolarHBondContact N-O 3.35Å; S47-Y49 PolarHBondContact O-N 2.78Å; S47-Y49 WeakPolarHBondContact OG-CB 3.42Å; S47-Y49 PolarHBondContact OG-N 3.47Å; Y49-K51 HydrophobicContact CE1-CB 4.27Å
50T97.6Very high96.4Very high45 Ų4558 Ų5828%0.27630%0.295SS..EExtended strand (participates in β ladder)trans-124145.4179.652.30000111.3Y42 I43 G48 Y52 L62Y42-T50 VanDerWaalsContact O-CA 3.28Å; Y42-T50 WeakPolarHBondContact O-CA 3.12Å; I43-T50 HydrophobicContact CB-CG2 3.9Å; I43-T50 HydrophobicContact CD1-CG2 3.92Å; I43-T50 HydrophobicContact CG1-CG2 3.78Å; G48-T50 PolarHBondContact O-N 3.15Å; T50-Y52 WeakPolarHBondContact OG1-CE2 3.41Å; T50-L62 HydrophobicContact CG2-CB 3.99Å
51K97.2Very high96.4Very high105 Ų10561.4 Ų61.446%0.45732%0.316SS..EExtended strand (participates in β ladder)trans-131.3138.8168.8-169.4179.7-179.5176.30108.7W39 G41 Y42 Y49W39-K51 HydrophobicContact CH2-CB 4.4Å; W39-K51 HydrophobicContact CH2-CD 4.38Å; W39-K51 HydrophobicContact CH2-CG 4.14Å; G41-K51 CarbonylContact C-O 3.5Å; G41-K51 WeakPolarHBondContact CA-O 3.21Å; Y42-K51 HydrophobicContact CD1-CB 4.2Å; Y42-K51 HydrophobicContact CD2-CB 4.5Å; Y42-K51 HydrophobicContact CE1-CB 3.64Å; Y42-K51 HydrophobicContact CE1-CD 3.75Å; Y42-K51 HydrophobicContact CE1-CG 4.26Å; Y42-K51 HydrophobicContact CE2-CB 4.01Å; Y42-K51 PolarHBondContact N-O 3.12Å; Y42-K51 PolarHBondContact O-N 2.92Å; Y49-K51 HydrophobicContact CE1-CB 4.27Å
52Y98Very high96.5Very high55 Ų5561.8 Ų61.822%0.21632%0.318CS..EExtended strand (participates in β ladder)trans-119.9149.9-177.9-62.8-90.9000110.6T50 A60 L62T50-Y52 WeakPolarHBondContact OG1-CE2 3.41Å; Y52-A60 HydrophobicContact CE1-CB 4.44Å; Y52-A60 WeakPolarHBondContact CE1-O 3.41Å; Y52-L62 HydrophobicContact CE1-CD1 4.06Å; Y52-L62 HydrophobicContact CE1-CG 3.68Å; Y52-L62 PolarHBondContact OH-N 3.06Å
53N97.1Very high96.5Very high46 Ų4663.6 Ų63.625%0.24633%0.331CS..  trans-70.9137155.5179.3-22.3000108.5W39 I40 K55 F56 K57W39-N53 HydrophobicContact CE3-CB 3.84Å; W39-N53 HydrophobicContact CZ3-CB 3.94Å; W39-N53 WeakPolarHBondContact O-CB 3.43Å; W39-N53 PolarHBondContact O-ND2 2.7Å; I40-N53 WeakPolarHBondContact O-CB 3.39Å; I40-N53 PolarHBondContact O-N 2.85Å; N53-K55 PolarHBondContact O-N 3.23Å; N53-K55 VanDerWaalsContact O-N 3.09Å; N53-K55 PolarHBondContact OD1-N 2.94Å; N53-K55 VanDerWaalsContact OD1-N 3.15Å; N53-F56 HydrophobicContact CB-CD2 4.07Å; N53-F56 PolarHBondContact O-N 3.25Å; N53-K57 PolarHBondContact O-N 2.92Å
54Q96Very high96.5Very high139 Ų13965 Ų6565%0.6534%0.344SS*.G310 helixtrans-54.2-33.5-176.2-169.460.826.300112.9F56Q54-F56 PolarHBondContact O-N 3.09Å
55K94.2Very high96.6Very high149 Ų14966.7 Ų66.765%0.64835%0.353SS*.G310 helixtrans-61.4-25.9177.1-67.2-173.9-177.3-178.30114.2E38 N53E38-K55 IonicContact OE2-NZ 3.61Å; E38-K55 PolarHBondContact OE2-NZ 2.88Å; E38-K55 VanDerWaalsContact OE2-NZ 3.17Å; N53-K55 PolarHBondContact O-N 3.23Å; N53-K55 VanDerWaalsContact O-N 3.09Å; N53-K55 PolarHBondContact OD1-N 2.94Å; N53-K55 VanDerWaalsContact OD1-N 3.15Å
56F96.1Very high96.6Very high12 Ų1272.3 Ų72.35%0.05338%0.377CS..G310 helixtrans-115.1-1.7-171.8-61.3-83.2000113.5K30 E38 I40 N53 Q54 D58 K59 A60K30-F56 HydrophobicContact CD-CE1 4Å; K30-F56 HydrophobicContact CD-CZ 4.1Å; E38-F56 HydrophobicContact CB-CE2 4.45Å; E38-F56 HydrophobicContact CB-CZ 4.38Å; I40-F56 HydrophobicContact CB-CD2 4.31Å; I40-F56 HydrophobicContact CB-CG 4.29Å; I40-F56 HydrophobicContact CG1-CD1 4.23Å; I40-F56 HydrophobicContact CG1-CD2 4.24Å; I40-F56 HydrophobicContact CG1-CE1 4.22Å; I40-F56 HydrophobicContact CG1-CE2 4.21Å; I40-F56 HydrophobicContact CG1-CG 4.24Å; I40-F56 HydrophobicContact CG1-CZ 4.21Å; I40-F56 HydrophobicContact CG2-CB 3.74Å; I40-F56 HydrophobicContact CG2-CD1 4.27Å; I40-F56 HydrophobicContact CG2-CD2 4.36Å; I40-F56 HydrophobicContact CG2-CG 3.88Å; N53-F56 HydrophobicContact CB-CD2 4.07Å; N53-F56 PolarHBondContact O-N 3.25Å; Q54-F56 PolarHBondContact O-N 3.09Å; F56-D58 VanDerWaalsContact C-N 3.26Å; F56-D58 PolarHBondContact O-N 3.45Å; F56-K59 PolarHBondContact O-N 3.42Å; F56-A60 HydrophobicContact CB-CB 4.4Å; F56-A60 PolarHBondContact O-N 2.81Å
57K94.4Very high96.6Very high117 Ų11774.6 Ų74.651%0.50939%0.393SS..THydrogen-bonded Turntrans-56.9-38.4-173.5-170.9179.9-179.8-175.50113.2N53N53-K57 PolarHBondContact O-N 2.92Å
58D95Very high96.6Very high144 Ų14472.6 Ų72.677%0.7738%0.379SS*.THydrogen-bonded Turntrans-95-1.3-179.9-53.5-41.1000112.7F56F56-D58 VanDerWaalsContact C-N 3.26Å; F56-D58 PolarHBondContact O-N 3.45Å
59K96.3Very high96.7Very high36 Ų3672.5 Ų72.516%0.15737%0.371CS..THydrogen-bonded Turntrans-107.4-36.5-173.1-17268.4175.8-166.20113F56 L75 S76 S77 D82F56-K59 PolarHBondContact O-N 3.42Å; K59-L75 HydrophobicContact CG-CD2 4.25Å; K59-L75 WeakPolarHBondContact O-CA 3.36Å; K59-S76 VanDerWaalsContact CD-O 3.24Å; K59-S76 WeakPolarHBondContact CD-O 3.39Å; K59-S76 WeakPolarHBondContact CE-O 3.38Å; K59-S76 PolarHBondContact NZ-O 2.92Å; K59-S76 PolarHBondContact O-N 2.88Å; K59-S76 PolarHBondContact O-OG 2.89Å; K59-S77 PolarHBondContact NZ-O 3.23Å; K59-D82 WeakPolarHBondContact CE-OD2 3.36Å; K59-D82 IonicContact NZ-OD2 3.78Å; K59-D82 PolarHBondContact NZ-OD2 2.9Å
60A97.9Very high96.8Very high2 Ų266.6 Ų66.62%0.01735%0.349CS..EExtended strand (participates in β ladder)trans-115.8135.4-172.700000110.9I40 Y52 F56 M73 Q74 L75I40-A60 HydrophobicContact CG2-CB 3.79Å; Y52-A60 HydrophobicContact CE1-CB 4.44Å; Y52-A60 WeakPolarHBondContact CE1-O 3.41Å; F56-A60 HydrophobicContact CB-CB 4.4Å; F56-A60 PolarHBondContact O-N 2.81Å; A60-M73 HydrophobicContact CB-CG 4.26Å; A60-M73 HydrophobicContact CB-SD 4.3Å; A60-Q74 CarbonylContact C-O 3.42Å; A60-Q74 VanDerWaalsContact CA-O 3.32Å; A60-Q74 WeakPolarHBondContact CA-O 3.32Å; A60-L75 HydrophobicContact CB-CD2 4.01Å
61T98.4Very high96.8Very high71 Ų7164.5 Ų64.544%0.43634%0.336SS..EExtended strand (participates in β ladder)trans-116.9119.2169.5-58.10000108.9T63 M73 Q74T61-T63 HydrophobicContact CG2-CG2 4.37Å; T61-M73 WeakPolarHBondContact O-CA 3.43Å; T61-Q74 PolarHBondContact N-O 2.98Å; T61-Q74 PolarHBondContact O-N 2.97Å
62L98.6Very high96.8Very high8 Ų861.9 Ų61.94%0.04232%0.324CS..EExtended strand (participates in β ladder)trans-96.8131.5178.7-53.1-175.5000110.7W28 I43 T50 Y52 Y72 M73W28-L62 VanDerWaalsContact CD1-CD2 3.48Å; W28-L62 HydrophobicContact CG-CD2 4.01Å; I43-L62 HydrophobicContact CB-CB 4.16Å; I43-L62 HydrophobicContact CG2-CB 4.48Å; T50-L62 HydrophobicContact CG2-CB 3.99Å; Y52-L62 HydrophobicContact CE1-CD1 4.06Å; Y52-L62 HydrophobicContact CE1-CG 3.68Å; Y52-L62 PolarHBondContact OH-N 3.06Å; L62-Y72 WeakPolarHBondContact CA-O 3.36Å; L62-M73 HydrophobicContact CD2-CB 3.71Å; L62-M73 HydrophobicContact CD2-CG 3.62Å; L62-M73 HydrophobicContact CD2-SD 4.22Å
63T98.3Very high96.9Very high60 Ų6059.2 Ų59.237%0.36831%0.313SS..EExtended strand (participates in β ladder)trans-137.5161.5175.855.60000110.5T61 A71 Y72T61-T63 HydrophobicContact CG2-CG2 4.37Å; T63-A71 CarbonylContact O-C 3.6Å; T63-A71 WeakPolarHBondContact O-CA 3.26Å; T63-Y72 PolarHBondContact N-O 3.16Å; T63-Y72 PolarHBondContact O-N 2.94Å
64A97.9Very high96.9Very high36 Ų3661.1 Ų61.130%0.29832%0.321SS..EExtended strand (participates in β ladder)trans-141.5137.6176.900000110.3F21 I43 P45F21-A64 HydrophobicContact CE1-CB 4.17Å; F21-A64 HydrophobicContact CZ-CB 4.1Å; I43-A64 HydrophobicContact CD1-CB 3.89Å; I43-A64 HydrophobicContact CG1-CB 4.5Å; P45-A64 HydrophobicContact CB-CB 4Å
65D97.4Very high97Very high56 Ų5654.5 Ų54.530%0.29929%0.29SS..EExtended strand (participates in β ladder)trans-109.2112.9170.9175.310.2000109.2S67 S68 S69 T70 Y72D65-S67 VanDerWaalsContact C-N 3.33Å; D65-S67 WeakPolarHBondContact OD1-CB 3.16Å; D65-S67 PolarHBondContact OD1-N 3.38Å; D65-S67 PolarHBondContact OD1-OG 2.83Å; D65-S67 PolarHBondContact OD2-OG 2.78Å; D65-S68 WeakPolarHBondContact CB-OG 3Å; D65-S68 VanDerWaalsContact OD2-CB 3.32Å; D65-S68 WeakPolarHBondContact OD2-CB 3.18Å; D65-S68 PolarHBondContact OD2-OG 2.89Å; D65-S69 WeakPolarHBondContact O-CA 3Å; D65-S69 PolarHBondContact O-N 2.8Å; D65-S69 VanDerWaalsContact O-N 3.07Å; D65-T70 PolarHBondContact N-O 3.04Å; D65-T70 PolarHBondContact O-N 3.14Å; D65-Y72 HydrophobicContact CB-CE2 4.02Å
66K95.4Very high97.2Very high122 Ų12249.1 Ų49.153%0.5327%0.271SS..THydrogen-bonded Turntrans-67.2-35.8-179.7-64.1174.9178.3176.80111.7T22 P45 S46 S69T22-K66 HydrophobicContact CG2-CG 4.25Å; P45-K66 WeakPolarHBondContact O-CE 3.29Å; S46-K66 VanDerWaalsContact O-CE 3.29Å; S46-K66 WeakPolarHBondContact O-CE 3.38Å; S46-K66 PolarHBondContact O-NZ 2.83Å; K66-S69 PolarHBondContact O-N 2.71Å
67S94.8Very high97.2Very high109 Ų10952.3 Ų52.376%0.76229%0.294SS*.THydrogen-bonded Turntrans-67.9-42.3-174.770.90000111.7D65D65-S67 VanDerWaalsContact C-N 3.33Å; D65-S67 WeakPolarHBondContact OD1-CB 3.16Å; D65-S67 PolarHBondContact OD1-N 3.38Å; D65-S67 PolarHBondContact OD1-OG 2.83Å; D65-S67 PolarHBondContact OD2-OG 2.78Å
68S96.8Very high97.3Very high39 Ų3946.8 Ų46.827%0.27327%0.271SS..THydrogen-bonded Turntrans-90.9-0.2176.665.80000113.7D65 T70D65-S68 WeakPolarHBondContact CB-OG 3Å; D65-S68 VanDerWaalsContact OD2-CB 3.32Å; D65-S68 WeakPolarHBondContact OD2-CB 3.18Å; D65-S68 PolarHBondContact OD2-OG 2.89Å; S68-T70 PolarHBondContact O-N 2.9Å; S68-T70 PolarHBondContact O-OG1 2.88Å; S68-T70 WeakPolarHBondContact OG-CB 2.99Å; S68-T70 PolarHBondContact OG-OG1 2.86Å
69S96.9Very high97.4Very high40 Ų4042.9 Ų42.928%0.2825%0.252SS..THydrogen-bonded Turntrans5042.6-173.8-650000112.7A16 D65 K66A16-S69 WeakPolarHBondContact CB-O 3.25Å; A16-S69 PolarHBondContact N-O 2.92Å; D65-S69 WeakPolarHBondContact O-CA 3Å; D65-S69 PolarHBondContact O-N 2.8Å; D65-S69 VanDerWaalsContact O-N 3.07Å; K66-S69 PolarHBondContact O-N 2.71Å
70T97.9Very high97.4Very high8 Ų847.9 Ų47.95%0.04927%0.271CS..EExtended strand (participates in β ladder)trans-123.6127.6-173.2-56.90000110.9C14 K15 D65 S68 Y72C14-T70 WeakPolarHBondContact O-CA 3.37Å; K15-T70 HydrophobicContact CB-CG2 4.45Å; D65-T70 PolarHBondContact N-O 3.04Å; D65-T70 PolarHBondContact O-N 3.14Å; S68-T70 PolarHBondContact O-N 2.9Å; S68-T70 PolarHBondContact O-OG1 2.88Å; S68-T70 WeakPolarHBondContact OG-CB 2.99Å; S68-T70 PolarHBondContact OG-OG1 2.86Å; T70-Y72 HydrophobicContact CG2-CD1 4.18Å; T70-Y72 HydrophobicContact CG2-CD2 4.43Å; T70-Y72 HydrophobicContact CG2-CE1 3.56Å; T70-Y72 HydrophobicContact CG2-CE2 3.83Å; T70-Y72 WeakPolarHBondContact CG2-OH 3.4Å
71A97.9Very high97.2Very high0 Ų054.1 Ų54.10%030%0.3CS..EExtended strand (participates in β ladder)trans-92.3151167.600000110.1S13 C14 F21 M26 W28 T63S13-A71 CarbonylContact C-O 3.55Å; S13-A71 WeakPolarHBondContact CA-O 3.48Å; C14-A71 PolarHBondContact N-O 3.03Å; C14-A71 PolarHBondContact O-N 2.94Å; F21-A71 HydrophobicContact CE2-CB 4.26Å; F21-A71 HydrophobicContact CZ-CB 3.98Å; M26-A71 HydrophobicContact CB-CB 3.99Å; M26-A71 HydrophobicContact CG-CB 3.56Å; W28-A71 HydrophobicContact CZ2-CB 4.33Å; T63-A71 CarbonylContact O-C 3.6Å; T63-A71 WeakPolarHBondContact O-CA 3.26Å
72Y98.4Very high97.1Very high50 Ų5051.2 Ų51.220%0.19628%0.281CS..EExtended strand (participates in β ladder)trans-132.9147.3177.6-54.6-86000111.2K11 L12 S13 L62 T63 D65 T70K11-Y72 HydrophobicContact CD-CD1 4.32Å; K11-Y72 VanDerWaalsContact CE-CB 3.49Å; K11-Y72 HydrophobicContact CG-CD1 4.27Å; L12-Y72 CarbonylContact O-C 3.41Å; L12-Y72 WeakPolarHBondContact O-CA 3.33Å; S13-Y72 VanDerWaalsContact CB-CD1 3.5Å; S13-Y72 VanDerWaalsContact CB-CE1 3.48Å; L62-Y72 WeakPolarHBondContact CA-O 3.36Å; T63-Y72 PolarHBondContact N-O 3.16Å; T63-Y72 PolarHBondContact O-N 2.94Å; D65-Y72 HydrophobicContact CB-CE2 4.02Å; T70-Y72 HydrophobicContact CG2-CD1 4.18Å; T70-Y72 HydrophobicContact CG2-CD2 4.43Å; T70-Y72 HydrophobicContact CG2-CE1 3.56Å; T70-Y72 HydrophobicContact CG2-CE2 3.83Å; T70-Y72 WeakPolarHBondContact CG2-OH 3.4Å
73M98.4Very high97.1Very high0 Ų052.6 Ų52.60%029%0.292CS..EExtended strand (participates in β ladder)trans-124120.6166.4177.3179.968.800108.5L12 W28 I40 A60 T61 L62 L75 Y86L12-M73 HydrophobicContact CD1-CE 3.72Å; L12-M73 HydrophobicContact CG-CE 4.47Å; L12-M73 PolarHBondContact N-O 2.81Å; L12-M73 PolarHBondContact O-N 3.09Å; W28-M73 HydrophobicContact CB-SD 3.96Å; W28-M73 HydrophobicContact CD2-CB 3.63Å; W28-M73 HydrophobicContact CD2-CE 4.43Å; W28-M73 HydrophobicContact CD2-CG 4.46Å; W28-M73 HydrophobicContact CD2-SD 4.15Å; W28-M73 HydrophobicContact CE3-CB 3.87Å; W28-M73 HydrophobicContact CE3-CE 3.86Å; W28-M73 HydrophobicContact CE3-SD 4.18Å; W28-M73 HydrophobicContact CG-CB 4.14Å; W28-M73 HydrophobicContact CG-SD 4.09Å; W28-M73 HydrophobicContact CH2-CB 4.09Å; W28-M73 HydrophobicContact CZ2-CB 3.88Å; W28-M73 HydrophobicContact CZ3-CB 4.1Å; W28-M73 HydrophobicContact CZ3-CE 4.34Å; I40-M73 HydrophobicContact CD1-CE 3.99Å; I40-M73 HydrophobicContact CD1-SD 3.56Å; I40-M73 VanDerWaalsContact CD1-SD 3.56Å; I40-M73 HydrophobicContact CG2-SD 3.99Å; A60-M73 HydrophobicContact CB-CG 4.26Å; A60-M73 HydrophobicContact CB-SD 4.3Å; T61-M73 WeakPolarHBondContact O-CA 3.43Å; L62-M73 HydrophobicContact CD2-CB 3.71Å; L62-M73 HydrophobicContact CD2-CG 3.62Å; L62-M73 HydrophobicContact CD2-SD 4.22Å; M73-L75 HydrophobicContact CE-CD1 3.87Å; M73-L75 HydrophobicContact CE-CD2 4.2Å; M73-L75 HydrophobicContact CE-CG 3.96Å; M73-L75 HydrophobicContact CG-CD2 4.46Å; M73-L75 HydrophobicContact CG-CG 4.42Å; M73-L75 HydrophobicContact SD-CD2 4.13Å; M73-L75 HydrophobicContact SD-CG 4.4Å; M73-Y86 HydrophobicContact CE-CD1 3.52Å; M73-Y86 HydrophobicContact CE-CE1 3.99Å; M73-Y86 HydrophobicContact CE-CG 4.15Å
74Q98.3Very high97.1Very high86 Ų8650 Ų5040%0.40228%0.277SS..EExtended strand (participates in β ladder)trans-96.6124.7169.6-177.6173.9-7.500109.2V10 A60 T61V10-Q74 CarbonylContact O-C 3.55Å; V10-Q74 VanDerWaalsContact O-CA 3.31Å; V10-Q74 WeakPolarHBondContact O-CA 3.2Å; A60-Q74 CarbonylContact C-O 3.42Å; A60-Q74 VanDerWaalsContact CA-O 3.32Å; A60-Q74 WeakPolarHBondContact CA-O 3.32Å; T61-Q74 PolarHBondContact N-O 2.98Å; T61-Q74 PolarHBondContact O-N 2.97Å
75L97.9Very high97.1Very high0 Ų050 Ų500%027%0.273CS..EExtended strand (participates in β ladder)trans-102.3128.6171.1-66.4167.9000108.8S9 V10 K59 A60 M73 L78 Y86 L108S9-L75 CarbonylContact C-O 3.57Å; S9-L75 WeakPolarHBondContact CA-O 3.36Å; S9-L75 WeakPolarHBondContact CB-O 3.13Å; V10-L75 HydrophobicContact CG1-CB 4.1Å; V10-L75 HydrophobicContact CG1-CD1 4.35Å; V10-L75 PolarHBondContact N-O 3.12Å; V10-L75 PolarHBondContact O-N 3.29Å; K59-L75 HydrophobicContact CG-CD2 4.25Å; K59-L75 WeakPolarHBondContact O-CA 3.36Å; A60-L75 HydrophobicContact CB-CD2 4.01Å; M73-L75 HydrophobicContact CE-CD1 3.87Å; M73-L75 HydrophobicContact CE-CD2 4.2Å; M73-L75 HydrophobicContact CE-CG 3.96Å; M73-L75 HydrophobicContact CG-CD2 4.46Å; M73-L75 HydrophobicContact CG-CG 4.42Å; M73-L75 HydrophobicContact SD-CD2 4.13Å; M73-L75 HydrophobicContact SD-CG 4.4Å; L75-L78 HydrophobicContact CB-CD2 3.79Å; L75-L78 HydrophobicContact CD1-CD2 4.38Å; L75-Y86 HydrophobicContact CD1-CD1 4.32Å; L75-Y86 HydrophobicContact CD1-CE1 3.64Å; L75-Y86 HydrophobicContact CD1-CE2 4.13Å; L75-L108 HydrophobicContact CD1-CD2 3.97Å
76S97.2Very high97.1Very high35 Ų3547.4 Ų47.425%0.24526%0.259CS..PPolyproline II helixtrans-103.4159.2-179.957.10000112.5K59 L78K59-S76 VanDerWaalsContact CD-O 3.24Å; K59-S76 WeakPolarHBondContact CD-O 3.39Å; K59-S76 WeakPolarHBondContact CE-O 3.38Å; K59-S76 PolarHBondContact NZ-O 2.92Å; K59-S76 PolarHBondContact O-N 2.88Å; K59-S76 PolarHBondContact O-OG 2.89Å; S76-L78 VanDerWaalsContact C-N 3.3Å; S76-L78 PolarHBondContact O-N 3.28Å; S76-L78 VanDerWaalsContact O-N 3.16Å
77S96.7Very high97.2Very high79 Ų7943.9 Ų43.955%0.55224%0.242SC*.SBendtrans48.149.8170.2-56.80000113.1A8 K59A8-S77 PolarHBondContact O-N 3.24Å; K59-S77 PolarHBondContact NZ-O 3.23Å
78L97.5Very high97.3Very high2 Ų239.4 Ų39.41%0.0121%0.211CC..  trans-55.3140.6-170.4-71.9172.4000112.7A4 P6 G7 A8 V10 L75 S76 D82 L108 V110A4-L78 HydrophobicContact CB-CD1 3.5Å; A4-L78 VanDerWaalsContact CB-CD1 3.5Å; P6-L78 CarbonylContact C-O 3.59Å; P6-L78 WeakPolarHBondContact CA-O 3.44Å; G7-L78 PolarHBondContact N-O 3.04Å; A8-L78 WeakPolarHBondContact O-CB 3.45Å; A8-L78 VanDerWaalsContact O-CG 3.29Å; A8-L78 WeakPolarHBondContact O-CG 3.32Å; A8-L78 PolarHBondContact O-N 2.97Å; V10-L78 HydrophobicContact CB-CD1 4.15Å; V10-L78 HydrophobicContact CG1-CD1 3.91Å; V10-L78 HydrophobicContact CG1-CD2 4.39Å; L75-L78 HydrophobicContact CB-CD2 3.79Å; L75-L78 HydrophobicContact CD1-CD2 4.38Å; S76-L78 VanDerWaalsContact C-N 3.3Å; S76-L78 PolarHBondContact O-N 3.28Å; S76-L78 VanDerWaalsContact O-N 3.16Å; L78-D82 WeakPolarHBondContact CA-OD2 3.28Å; L78-D82 HydrophobicContact CD2-CB 3.76Å; L78-L108 HydrophobicContact CD1-CD2 4.4Å; L78-L108 HydrophobicContact CD2-CD2 3.91Å; L78-V110 HydrophobicContact CB-CG1 4.24Å; L78-V110 HydrophobicContact CB-CG2 4.06Å; L78-V110 HydrophobicContact CD1-CG2 4.25Å; L78-V110 HydrophobicContact CD2-CG2 4.45Å; L78-V110 HydrophobicContact CG-CG2 4.5Å
79T96.9Very high97.3Very high62 Ų6237.6 Ų37.638%0.3820%0.199SC..  trans-119.5167.4172.5710000109.7E81 D82 V110T79-E81 PolarHBondContact O-N 2.81Å; T79-E81 VanDerWaalsContact O-N 3.12Å; T79-E81 PolarHBondContact OG1-N 3.05Å; T79-D82 PolarHBondContact N-OD2 2.93Å; T79-D82 WeakPolarHBondContact O-CB 3.31Å; T79-D82 PolarHBondContact O-N 3.48Å; T79-D82 PolarHBondContact OG1-OD2 2.03Å; T79-V110 WeakPolarHBondContact O-CB 3.44Å; T79-V110 WeakPolarHBondContact O-CG2 3.29Å
80Y96.4Very high97Very high141 Ų14137.2 Ų37.255%0.55319%0.191SC*.G310 helixtrans-54.7-32175.9-62.2-70.3000112.7P6 D82 S83 V110P6-Y80 HydrophobicContact CG-CD1 4.43Å; P6-Y80 HydrophobicContact CG-CE1 3.74Å; P6-Y80 HydrophobicContact CG-CE2 4.12Å; Y80-D82 PolarHBondContact O-N 2.79Å; Y80-S83 WeakPolarHBondContact O-CB 3.14Å; Y80-S83 PolarHBondContact O-N 2.88Å; Y80-S83 VanDerWaalsContact O-N 3.09Å; Y80-S83 PolarHBondContact O-OG 2.86Å; Y80-V110 WeakPolarHBondContact CD1-O 2.86Å
81E94.3Very high96.5Very high133 Ų13339.6 Ų39.662%0.62120%0.199SC*.G310 helixtrans-69.1-12.6178.3-61.5-170.5-173.700114.4K30 R32 T79 S83K30-E81 WeakPolarHBondContact CE-O 3.34Å; K30-E81 PolarHBondContact NZ-O 2.77Å; R32-E81 PolarHBondContact NE-O 2.95Å; R32-E81 PolarHBondContact NH2-O 2.81Å; R32-E81 VanDerWaalsContact NH2-O 3.13Å; R32-E81 IonicContact NH2-OE2 3.17Å; T79-E81 PolarHBondContact O-N 2.81Å; T79-E81 VanDerWaalsContact O-N 3.12Å; T79-E81 PolarHBondContact OG1-N 3.05Å; E81-S83 VanDerWaalsContact C-N 3.27Å
82D96.3Very high95.6Very high9 Ų939.8 Ų39.85%0.04820%0.201CC..G310 helixtrans-80.9-6.8172.5-63.7-47.4000112.7K30 K59 L78 T79 Y80 A84 Y86 V110K30-D82 IonicContact NZ-OD1 3.43Å; K30-D82 PolarHBondContact NZ-OD1 3.45Å; K59-D82 WeakPolarHBondContact CE-OD2 3.36Å; K59-D82 IonicContact NZ-OD2 3.78Å; K59-D82 PolarHBondContact NZ-OD2 2.9Å; L78-D82 WeakPolarHBondContact CA-OD2 3.28Å; L78-D82 HydrophobicContact CD2-CB 3.76Å; T79-D82 PolarHBondContact N-OD2 2.93Å; T79-D82 WeakPolarHBondContact O-CB 3.31Å; T79-D82 PolarHBondContact O-N 3.48Å; T79-D82 PolarHBondContact OG1-OD2 2.03Å; Y80-D82 PolarHBondContact O-N 2.79Å; D82-A84 PolarHBondContact O-N 3.42Å; D82-A84 VanDerWaalsContact O-N 3.12Å; D82-Y86 VanDerWaalsContact O-CE2 3.31Å; D82-Y86 WeakPolarHBondContact O-CE2 3.42Å; D82-Y86 PolarHBondContact O-OH 2.87Å; D82-V110 HydrophobicContact CB-CG2 4.17Å
83S97.6Very high94.2Very high38 Ų3840.5 Ų40.527%0.26621%0.211SC..  trans-65114.3171.7-55.70000110.4Y80 E81 L108 V110Y80-S83 WeakPolarHBondContact O-CB 3.14Å; Y80-S83 PolarHBondContact O-N 2.88Å; Y80-S83 VanDerWaalsContact O-N 3.09Å; Y80-S83 PolarHBondContact O-OG 2.86Å; E81-S83 VanDerWaalsContact C-N 3.27Å; S83-L108 CarbonylContact C-O 3.6Å; S83-L108 VanDerWaalsContact CA-O 3.25Å; S83-L108 WeakPolarHBondContact CA-O 3.36Å; S83-V110 PolarHBondContact OG-N 3.05Å
84A97.8Very high92.8Very high6 Ų646.3 Ų46.35%0.0524%0.242CC..EExtended strand (participates in β ladder)trans-169171.4-172.100000110.8K30 Q31 R32 D82 Y86 L108K30-A84 HydrophobicContact CD-CB 4.25Å; K30-A84 HydrophobicContact CG-CB 3.59Å; Q31-A84 WeakPolarHBondContact O-CA 3.47Å; Q31-A84 VanDerWaalsContact O-CB 3.31Å; Q31-A84 WeakPolarHBondContact O-CB 3.19Å; R32-A84 HydrophobicContact CG-CB 4.21Å; D82-A84 PolarHBondContact O-N 3.42Å; D82-A84 VanDerWaalsContact O-N 3.12Å; A84-Y86 HydrophobicContact CB-CD2 4.32Å; A84-Y86 HydrophobicContact CB-CE2 3.8Å; A84-L108 PolarHBondContact N-O 3.2Å; A84-L108 PolarHBondContact O-N 2.63Å
85V98.2Very high90.8Very high34 Ų3447.1 Ų47.121%0.20625%0.249CC..EExtended strand (participates in β ladder)trans-92.3129.9161-169.60000108.6Q31 Y87Q31-V85 PolarHBondContact N-O 2.85Å; Q31-V85 PolarHBondContact O-N 3.05Å; V85-Y87 HydrophobicContact CB-CE2 3.75Å; V85-Y87 HydrophobicContact CG1-CD2 4.25Å; V85-Y87 HydrophobicContact CG1-CE1 3.9Å; V85-Y87 HydrophobicContact CG1-CE2 3.54Å; V85-Y87 WeakPolarHBondContact CG1-OH 3.42Å
86Y98.3Very high89.1Confident3 Ų357.6 Ų57.61%0.01229%0.29CS..EExtended strand (participates in β ladder)trans-108.6124178.7-71.2-89.6000110L12 V29 K30 I40 M73 L75 D82 A84 G105 T106 L108L12-Y86 HydrophobicContact CD1-CD1 4.37Å; L12-Y86 HydrophobicContact CD1-CD2 4.01Å; L12-Y86 HydrophobicContact CD1-CG 3.71Å; V29-Y86 CarbonylContact O-C 3.59Å; V29-Y86 WeakPolarHBondContact O-CA 2.95Å; K30-Y86 HydrophobicContact CB-CD1 4.16Å; K30-Y86 HydrophobicContact CB-CE1 3.92Å; K30-Y86 HydrophobicContact CD-CE1 4Å; K30-Y86 HydrophobicContact CG-CD1 4.34Å; K30-Y86 HydrophobicContact CG-CE1 3.81Å; I40-Y86 HydrophobicContact CD1-CD1 3.75Å; I40-Y86 HydrophobicContact CD1-CE1 3.79Å; M73-Y86 HydrophobicContact CE-CD1 3.52Å; M73-Y86 HydrophobicContact CE-CE1 3.99Å; M73-Y86 HydrophobicContact CE-CG 4.15Å; L75-Y86 HydrophobicContact CD1-CD1 4.32Å; L75-Y86 HydrophobicContact CD1-CE1 3.64Å; L75-Y86 HydrophobicContact CD1-CE2 4.13Å; D82-Y86 VanDerWaalsContact O-CE2 3.31Å; D82-Y86 WeakPolarHBondContact O-CE2 3.42Å; D82-Y86 PolarHBondContact O-OH 2.87Å; A84-Y86 HydrophobicContact CB-CD2 4.32Å; A84-Y86 HydrophobicContact CB-CE2 3.8Å; Y86-G105 CarbonylContact O-C 3.49Å; Y86-G105 VanDerWaalsContact O-CA 3.25Å; Y86-G105 WeakPolarHBondContact O-CA 3.31Å; Y86-T106 PolarHBondContact N-O 2.87Å; Y86-T106 PolarHBondContact O-N 3.07Å; Y86-L108 HydrophobicContact CD2-CB 3.86Å; Y86-L108 HydrophobicContact CD2-CD2 4.4Å; Y86-L108 HydrophobicContact CE2-CB 3.75Å; Y86-L108 HydrophobicContact CE2-CD2 3.72Å; Y86-L108 HydrophobicContact CE2-CG 4.32Å
87Y97.8Very high87.5Confident47 Ų4759.1 Ų59.118%0.18430%0.296CS..EExtended strand (participates in β ladder)trans-109.9146.5-179.4-59.9-86.4000110.4W28 V29 Q31 V85 W102 G103 G105W28-Y87 WeakPolarHBondContact CA-O 3.16Å; V29-Y87 PolarHBondContact N-O 3.38Å; V29-Y87 PolarHBondContact O-N 2.96Å; Q31-Y87 HydrophobicContact CB-CD2 4.34Å; Q31-Y87 HydrophobicContact CB-CE2 3.78Å; Q31-Y87 PolarHBondContact OE1-OH 3.12Å; V85-Y87 HydrophobicContact CB-CE2 3.75Å; V85-Y87 HydrophobicContact CG1-CD2 4.25Å; V85-Y87 HydrophobicContact CG1-CE1 3.9Å; V85-Y87 HydrophobicContact CG1-CE2 3.54Å; V85-Y87 WeakPolarHBondContact CG1-OH 3.42Å; Y87-W102 HydrophobicContact CD1-CE3 4.46Å; Y87-W102 HydrophobicContact CG-CE3 4.1Å; Y87-W102 HydrophobicContact CG-CZ3 4.3Å; Y87-G103 WeakPolarHBondContact CD1-O 3.28Å; Y87-G105 VanDerWaalsContact CD1-CA 3.44Å
88C96.6Very high86.1Confident16 Ų1659.7 Ų59.711%0.10830%0.297CS..EExtended strand (participates in β ladder)trans-103.7146.3159.161.80000109.3C14 M26 H27 W28 W102 G103C14-C88 HydrophobicContact CB-CB 3.44Å; C14-C88 VanDerWaalsContact CB-CB 3.44Å; C14-C88 WeakPolarHBondContact CB-SG 3.46Å; C14-C88 WeakPolarHBondContact SG-CB 3.48Å; C14-C88 CovalentContact SG-SG 2.03Å; C14-C88 PolarHBondContact SG-SG 2.81Å; M26-C88 HydrophobicContact CG-CB 4.44Å; M26-C88 HydrophobicContact SD-CB 3.71Å; H27-C88 CarbonylContact O-C 3.58Å; H27-C88 WeakPolarHBondContact O-CA 3.42Å; W28-C88 HydrophobicContact CD2-CB 4.49Å; W28-C88 HydrophobicContact CE3-CB 4.32Å; W28-C88 HydrophobicContact CH2-CB 4.43Å; W28-C88 HydrophobicContact CZ3-CB 4.29Å; C88-W102 WeakPolarHBondContact O-CA 3.34Å; C88-G103 PolarHBondContact O-N 3.1Å
89A95.1Very high85.1Confident1 Ų163.3 Ų63.31%0.00831%0.313CS..EExtended strand (participates in β ladder)trans-139.8145.4174.900000109.9H27 F99 Y101 W102H27-A89 PolarHBondContact N-O 2.87Å; H27-A89 PolarHBondContact O-N 2.78Å; A89-F99 HydrophobicContact CB-CB 4.41Å; A89-F99 HydrophobicContact CB-CD1 3.95Å; A89-F99 HydrophobicContact CB-CG 4.23Å; A89-Y101 CarbonylContact C-O 3.59Å; A89-Y101 VanDerWaalsContact CA-O 3.22Å; A89-Y101 WeakPolarHBondContact CA-O 2.94Å; A89-W102 HydrophobicContact CB-CD2 3.74Å; A89-W102 HydrophobicContact CB-CE3 4.07Å; A89-W102 HydrophobicContact CB-CG 4.09Å; A89-W102 HydrophobicContact CB-CH2 4.48Å; A89-W102 HydrophobicContact CB-CZ2 4.19Å; A89-W102 HydrophobicContact CB-CZ3 4.43Å
90R91.6Very high84.1Confident32 Ų3263.4 Ų63.412%0.12131%0.311CS..EExtended strand (participates in β ladder)trans-99.6147.7176.184.2-178.5-168-160.81.3111.2Y19 Y24 W25 D100 Y101Y19-R90 VanDerWaalsContact CE1-NH1 3.26Å; Y24-R90 HydrophobicContact CD1-CB 4.43Å; Y24-R90 HydrophobicContact CD1-CG 4.07Å; Y24-R90 HydrophobicContact CG-CB 4.5Å; Y24-R90 HydrophobicContact CG-CG 4.48Å; W25-R90 WeakPolarHBondContact O-CA 3.16Å; R90-D100 PolarHBondContact O-N 2.98Å; R90-Y101 PolarHBondContact N-O 2.97Å
91R86.7Confident83.6Confident57 Ų5763.8 Ų63.822%0.21531%0.313CS..EExtended strand (participates in β ladder)trans-135.9141.3170.4-175.3171174.4-146-13.1109.7Y24 W25 D95 D97 F99Y24-R91 CarbonylContact C-O 3.52Å; Y24-R91 VanDerWaalsContact CA-O 3.26Å; Y24-R91 WeakPolarHBondContact CA-O 3.4Å; Y24-R91 WeakPolarHBondContact CB-O 3.5Å; W25-R91 PolarHBondContact N-O 3.46Å; W25-R91 PolarHBondContact O-N 3.41Å; R91-D95 IonicContact CZ-OD1 3.62Å; R91-D95 IonicContact NH1-OD1 2.69Å; R91-D95 PolarHBondContact NH2-O 3.39Å; R91-D95 IonicContact NH2-OD1 3.48Å; R91-D95 PolarHBondContact NH2-OD1 2.87Å; R91-D97 WeakPolarHBondContact CD-O 3.46Å; R91-D97 VanDerWaalsContact CG-O 3.27Å; R91-D97 WeakPolarHBondContact CG-O 3.47Å; R91-D97 PolarHBondContact NE-O 3.12Å; R91-F99 HydrophobicContact CB-CD1 4.02Å; R91-F99 HydrophobicContact CB-CE1 4.05Å
92G78.7Confident83.6Confident5 Ų562.2 Ų62.25%0.05230%0.301CS..EExtended strand (participates in β ladder)trans-54.2152.1174.500000111.9D94G92-D94 PolarHBondContact O-N 3.26Å
93V69.2Low83.5Confident64 Ų6463.1 Ų63.139%0.38831%0.313SS..SBendtrans-71-22.1174.7174.70000111.1S23S23-V93 VanDerWaalsContact C-CG2 3.45Å; S23-V93 WeakPolarHBondContact O-CG2 3.41Å
94D68.8Low83.3Confident123 Ų12370.2 Ų70.266%0.65834%0.342SS*.SBendtrans-79123.3169.8-62.1-42.4000109.5G92 Y96 D97G92-D94 PolarHBondContact O-N 3.26Å; D94-Y96 PolarHBondContact O-N 2.79Å; D94-D97 PolarHBondContact O-N 3.4Å
95D58.3Low83.2Confident103 Ų10371.2 Ų71.255%0.55135%0.353SS*.THydrogen-bonded Turntrans-66.17.4-164.7-118.2-30.7000115.4R91R91-D95 IonicContact CZ-OD1 3.62Å; R91-D95 IonicContact NH1-OD1 2.69Å; R91-D95 PolarHBondContact NH2-O 3.39Å; R91-D95 IonicContact NH2-OD1 3.48Å; R91-D95 PolarHBondContact NH2-OD1 2.87Å
96Y61.9Low83.2Confident219 Ų21971.6 Ų71.686%0.85936%0.355SS*.THydrogen-bonded Turntrans-101-10.5-177.6-64.9-77.9000114.3D94D94-Y96 PolarHBondContact O-N 2.79Å
97D62.8Low83.2Confident68 Ų6874.5 Ų74.536%0.36437%0.373SS..  trans-83.7133.9-176.4-72.1-19.1000112.2R91 D94R91-D97 WeakPolarHBondContact CD-O 3.46Å; R91-D97 VanDerWaalsContact CG-O 3.27Å; R91-D97 WeakPolarHBondContact CG-O 3.47Å; R91-D97 PolarHBondContact NE-O 3.12Å; D94-D97 PolarHBondContact O-N 3.4Å
98P67.6Low83.2Confident91 Ų9172.3 Ų72.359%0.59137%0.365SS*.  trans-67.2177.2168.429-31.9000111.5D100P98-D100 VanDerWaalsContact C-N 3.35Å; P98-D100 PolarHBondContact O-N 3.37Å
99F75.9Confident83.2Confident78 Ų7874.5 Ų74.534%0.34238%0.378SS..  trans-7093.4170.8-70.7-54.3000110.2H27 A89 R91 Y101 W102H27-F99 HydrophobicContact CB-CE1 3.73Å; H27-F99 HydrophobicContact CB-CZ 4.12Å; H27-F99 AromaticContact CD2-CE1 3.51Å; H27-F99 AromaticContact CE1-CE1 3.71Å; H27-F99 AromaticContact CE1-CZ 3.88Å; H27-F99 AromaticContact CG-CE1 3.28Å; H27-F99 AromaticContact CG-CZ 3.73Å; H27-F99 AromaticContact ND1-CE1 3.42Å; H27-F99 WeakPolarHBondContact ND1-CE1 3.21Å; H27-F99 AromaticContact ND1-CZ 3.43Å; H27-F99 WeakPolarHBondContact ND1-CZ 3.46Å; H27-F99 AromaticContact NE2-CE1 3.78Å; A89-F99 HydrophobicContact CB-CB 4.41Å; A89-F99 HydrophobicContact CB-CD1 3.95Å; A89-F99 HydrophobicContact CB-CG 4.23Å; R91-F99 HydrophobicContact CB-CD1 4.02Å; R91-F99 HydrophobicContact CB-CE1 4.05Å; F99-Y101 PolarHBondContact O-N 3.28Å; F99-W102 HydrophobicContact CB-CZ2 4.22Å; F99-W102 AromaticContact CD2-CZ2 3.9Å; F99-W102 HydrophobicContact CD2-CZ2 3.9Å; F99-W102 HydrophobicContact CG-CZ2 4.2Å
100D75.9Confident83.3Confident64 Ų6474.7 Ų74.734%0.34238%0.379SS..  trans-68.7-34.4-172.3-58.2-31.7000113.1R90 P98R90-D100 PolarHBondContact O-N 2.98Å; P98-D100 VanDerWaalsContact C-N 3.35Å; P98-D100 PolarHBondContact O-N 3.37Å
101Y86.6Confident83.5Confident148 Ų14875.5 Ų75.558%0.5839%0.389SS*.EExtended strand (participates in β ladder)trans-143.7138-175.8-68.9-92.9000112.3A89 R90 F99A89-Y101 CarbonylContact C-O 3.59Å; A89-Y101 VanDerWaalsContact CA-O 3.22Å; A89-Y101 WeakPolarHBondContact CA-O 2.94Å; R90-Y101 PolarHBondContact N-O 2.97Å; F99-Y101 PolarHBondContact O-N 3.28Å
102W93.6Very high83.7Confident101 Ų10179 Ų7938%0.38342%0.422SS..EExtended strand (participates in β ladder)trans-115.9140.7176.9-69.169.9000110.3V29 L37 Y87 C88 A89 F99V29-W102 HydrophobicContact CB-CH2 4.14Å; V29-W102 HydrophobicContact CB-CZ3 3.86Å; V29-W102 HydrophobicContact CG1-CH2 4.1Å; V29-W102 HydrophobicContact CG1-CZ3 4.04Å; V29-W102 HydrophobicContact CG2-CH2 3.75Å; V29-W102 HydrophobicContact CG2-CZ3 3.87Å; L37-W102 HydrophobicContact CD1-CH2 3.85Å; L37-W102 HydrophobicContact CD1-CZ2 4.48Å; L37-W102 HydrophobicContact CD1-CZ3 4.35Å; Y87-W102 HydrophobicContact CD1-CE3 4.46Å; Y87-W102 HydrophobicContact CG-CE3 4.1Å; Y87-W102 HydrophobicContact CG-CZ3 4.3Å; C88-W102 WeakPolarHBondContact O-CA 3.34Å; A89-W102 HydrophobicContact CB-CD2 3.74Å; A89-W102 HydrophobicContact CB-CE3 4.07Å; A89-W102 HydrophobicContact CB-CG 4.09Å; A89-W102 HydrophobicContact CB-CH2 4.48Å; A89-W102 HydrophobicContact CB-CZ2 4.19Å; A89-W102 HydrophobicContact CB-CZ3 4.43Å; F99-W102 HydrophobicContact CB-CZ2 4.22Å; F99-W102 AromaticContact CD2-CZ2 3.9Å; F99-W102 HydrophobicContact CD2-CZ2 3.9Å; F99-W102 HydrophobicContact CG-CZ2 4.2Å
103G93.8Very high83.9Confident28 Ų2882.7 Ų82.729%0.28944%0.441SS..  trans-68.6162.6166.500000111.2Y87 C88 G105Y87-G103 WeakPolarHBondContact CD1-O 3.28Å; C88-G103 PolarHBondContact O-N 3.1Å; G103-G105 PolarHBondContact O-N 3Å
104Q94.4Very high84.7Confident187 Ų18783.7 Ų83.787%0.87444%0.444SS*.  trans-62.8-15.5179.6-64.4-61.8-41.500113.8
105G95.7Very high85.6Confident27 Ų2781.5 Ų81.528%0.27843%0.432SS..  trans84.5151.1-17700000112.5Y86 Y87 G103Y86-G105 CarbonylContact O-C 3.49Å; Y86-G105 VanDerWaalsContact O-CA 3.25Å; Y86-G105 WeakPolarHBondContact O-CA 3.31Å; Y87-G105 VanDerWaalsContact CD1-CA 3.44Å; G103-G105 PolarHBondContact O-N 3Å
106T97.5Very high87.2Confident41 Ų4180.2 Ų80.225%0.25243%0.425SS..EExtended strand (participates in β ladder)trans-120.4116.6174.9-61.50000108.8E2 L12 Y86 L108E2-T106 HydrophobicContact CG-CG2 4.05Å; L12-T106 HydrophobicContact CD2-CG2 4.03Å; Y86-T106 PolarHBondContact N-O 2.87Å; Y86-T106 PolarHBondContact O-N 3.07Å; T106-L108 PolarHBondContact O-N 3.23Å
107T97.8Very high88.8Confident65 Ų6571.6 Ų71.640%0.39940%0.398SS..EExtended strand (participates in β ladder)trans-68122169.4-49.70000109.3A1 E2A1-T107 CarbonylContact C-O 3.52Å; A1-T107 WeakPolarHBondContact CA-O 3.31Å; E2-T107 PolarHBondContact N-O 3.3Å
108L97.7Very high90.5Very high1 Ų171.8 Ų71.81%0.00540%0.4CS..EExtended strand (participates in β ladder)trans-106.5127.1166.8173.864000107.9E2 A4 V10 L75 L78 S83 A84 Y86 T106 V110E2-L108 HydrophobicContact CB-CD1 3.75Å; E2-L108 WeakPolarHBondContact O-CA 3.32Å; A4-L108 HydrophobicContact CB-CD1 4.19Å; V10-L108 HydrophobicContact CB-CD1 4.48Å; V10-L108 HydrophobicContact CG1-CD1 4.03Å; V10-L108 HydrophobicContact CG1-CD2 3.82Å; V10-L108 HydrophobicContact CG2-CD1 4.42Å; L75-L108 HydrophobicContact CD1-CD2 3.97Å; L78-L108 HydrophobicContact CD1-CD2 4.4Å; L78-L108 HydrophobicContact CD2-CD2 3.91Å; S83-L108 CarbonylContact C-O 3.6Å; S83-L108 VanDerWaalsContact CA-O 3.25Å; S83-L108 WeakPolarHBondContact CA-O 3.36Å; A84-L108 PolarHBondContact N-O 3.2Å; A84-L108 PolarHBondContact O-N 2.63Å; Y86-L108 HydrophobicContact CD2-CB 3.86Å; Y86-L108 HydrophobicContact CD2-CD2 4.4Å; Y86-L108 HydrophobicContact CE2-CB 3.75Å; Y86-L108 HydrophobicContact CE2-CD2 3.72Å; Y86-L108 HydrophobicContact CE2-CG 4.32Å; T106-L108 PolarHBondContact O-N 3.23Å; L108-V110 HydrophobicContact CD2-CG2 4.45Å; L108-V110 HydrophobicContact CG-CG2 4.28Å
109T97.8Very high92.1Very high62 Ų6270.4 Ų70.438%0.3839%0.386SS..EExtended strand (participates in β ladder)trans-114.7125.6172.8-58.80000108.7E2 L3 A4E2-T109 PolarHBondContact O-N 2.9Å; L3-T109 WeakPolarHBondContact CA-O 3.48Å; L3-T109 HydrophobicContact CD1-CG2 3.96Å; A4-T109 PolarHBondContact N-O 2.68Å
110V97.3Very high93.4Very high5 Ų569.8 Ų69.83%0.0339%0.39CS..EExtended strand (participates in β ladder)trans-106.1111.7174.2-173.90000108.6A4 P6 L78 T79 Y80 D82 S83 L108A4-V110 CarbonylContact O-C 3.54Å; A4-V110 VanDerWaalsContact O-CA 3.25Å; A4-V110 WeakPolarHBondContact O-CA 3.42Å; P6-V110 HydrophobicContact CB-CG1 4.47Å; P6-V110 HydrophobicContact CG-CG1 4.05Å; L78-V110 HydrophobicContact CB-CG1 4.24Å; L78-V110 HydrophobicContact CB-CG2 4.06Å; L78-V110 HydrophobicContact CD1-CG2 4.25Å; L78-V110 HydrophobicContact CD2-CG2 4.45Å; L78-V110 HydrophobicContact CG-CG2 4.5Å; T79-V110 WeakPolarHBondContact O-CB 3.44Å; T79-V110 WeakPolarHBondContact O-CG2 3.29Å; Y80-V110 WeakPolarHBondContact CD1-O 2.86Å; D82-V110 HydrophobicContact CB-CG2 4.17Å; S83-V110 PolarHBondContact OG-N 3.05Å; L108-V110 HydrophobicContact CD2-CG2 4.45Å; L108-V110 HydrophobicContact CG-CG2 4.28Å
111S95.3Very high94.8Very high49 Ų4970.3 Ų70.334%0.34339%0.393SS..  trans-147156.3-178.864.40000111.8L3 A4L3-S111 WeakPolarHBondContact CD1-OG 3.43Å; A4-S111 PolarHBondContact O-N 2.76Å
112S90.6Very high95.6Very high130 Ų13063.3 Ų63.391%0.90938%0.376SS*.  trans-78.40178.758.10000113.3

Retrieved 112 of 112 residues in 31.2 ms (Link to these results)

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