A0A087XM49_POEFO Loading...

Scavenger receptor class F member 1

AlphaFold DB , UniProt , Accession A0A087XM49, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 890 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
1M50.9Low48.6Very low228 Ų228137.7 Ų137.7100%1.12368%0.684SS**  071.20-62.7172.9174.700112.2
2R46.9Very low48.1Very low228 Ų228134.1 Ų134.186%0.8668%0.68SS**  trans-127.1-37.2168.6-74.8-172178.5176.40.2113.1R5R2-R5 PolarHBondContact O-N 3.36Å
3F45.8Very low47.5Very low176 Ų176132.1 Ų132.177%0.77268%0.684SS**Hα-helixtrans-63.3-39.9177-93.9-95.7000115.3R5 A6 L7F3-R5 PolarHBondContact O-N 3.27Å; F3-A6 WeakPolarHBondContact O-CB 3.47Å; F3-A6 PolarHBondContact O-N 2.88Å; F3-L7 PolarHBondContact O-N 3.14Å
4L50.1Low47.3Very low142 Ų142128.9 Ų128.974%0.74368%0.678SS**Hα-helixtrans-63.4-27.5-179.4-8583.6000113.5S8L4-S8 WeakPolarHBondContact O-CB 3.09Å; L4-S8 PolarHBondContact O-N 3.04Å
5R49.8Very low47.1Very low216 Ų216130 Ų13082%0.81568%0.684SS**Hα-helixtrans-75-26.3174.7-77.4-173.7173.9173.5-1.6113R2 F3 A9R2-R5 PolarHBondContact O-N 3.36Å; F3-R5 PolarHBondContact O-N 3.27Å; R5-A9 PolarHBondContact O-N 2.03Å
6A50.2Low46.8Very low51 Ų51128.6 Ų128.642%0.42169%0.689SS.*Hα-helixtrans-73.1-44.5173.400000111.5F3 S8 A9 L10F3-A6 WeakPolarHBondContact O-CB 3.47Å; F3-A6 PolarHBondContact O-N 2.88Å; A6-S8 PolarHBondContact O-N 3.45Å; A6-A9 PolarHBondContact O-N 3.48Å; A6-A9 VanDerWaalsContact O-N 3.16Å; A6-L10 PolarHBondContact O-N 2.91Å
7L50.3Low46.6Very low100 Ų100126.5 Ų126.552%0.52469%0.686SS.*Hα-helixtrans-62.5-41.3174.4-88.3156.4000112.4F3 A9 L10 L11F3-L7 PolarHBondContact O-N 3.14Å; L7-A9 PolarHBondContact O-N 3.34Å; L7-L10 PolarHBondContact O-N 3.34Å; L7-L11 HydrophobicContact CD2-CD1 4.25Å; L7-L11 WeakPolarHBondContact O-CD1 3.04Å; L7-L11 PolarHBondContact O-N 3.33Å
8S48.3Very low46.8Very low78 Ų78125.4 Ų125.455%0.54569%0.686SS.*Hα-helixtrans-66.1-23.1175-1710000113.8L4 A6 C12L4-S8 WeakPolarHBondContact O-CB 3.09Å; L4-S8 PolarHBondContact O-N 3.04Å; A6-S8 PolarHBondContact O-N 3.45Å; S8-C12 PolarHBondContact O-SG 3.43Å; S8-C12 VanDerWaalsContact O-SG 3.32Å
9A47.9Very low47.4Very low56 Ų56125.7 Ų125.746%0.46368%0.683SS.*Hα-helixtrans-80.1-42.4172.400000111.3R5 A6 L7 C12R5-A9 PolarHBondContact O-N 2.03Å; A6-A9 PolarHBondContact O-N 3.48Å; A6-A9 VanDerWaalsContact O-N 3.16Å; L7-A9 PolarHBondContact O-N 3.34Å; A9-C12 PolarHBondContact O-N 2.8Å
10L48.4Very low48.5Very low128 Ų128125.1 Ų125.167%0.6768%0.683SS**Hα-helixtrans-67.1-34.9-179.4-79.2160.5000113.4A6 L7A6-L10 PolarHBondContact O-N 2.91Å; L7-L10 PolarHBondContact O-N 3.34Å
11L46.3Very low49.6Very low112 Ų112119.7 Ų119.759%0.58665%0.654SS**THydrogen-bonded Turntrans-74.6-22175.1-90.277.8000113.9L7 S14L7-L11 HydrophobicContact CD2-CD1 4.25Å; L7-L11 WeakPolarHBondContact O-CD1 3.04Å; L7-L11 PolarHBondContact O-N 3.33Å; L11-S14 PolarHBondContact O-OG 2.03Å
12C42.2Very low51Low94 Ų94112.3 Ų112.364%0.63562%0.619SS**G310 helixtrans-76.8-22.1176.3-760000113.1S8 A9 S14S8-C12 PolarHBondContact O-SG 3.43Å; S8-C12 VanDerWaalsContact O-SG 3.32Å; A9-C12 PolarHBondContact O-N 2.8Å; C12-S14 VanDerWaalsContact C-N 3.35Å
13C40Very low52.3Low108 Ų108106.3 Ų106.373%0.7361%0.609SS**G310 helixtrans-83.9-5.5178.9-67.50000114.2
14S44.5Very low53.7Low87 Ų87101.3 Ų101.361%0.60861%0.608SS**G310 helixtrans-100.113178.148.50000114.4L11 C12L11-S14 PolarHBondContact O-OG 2.03Å; C12-S14 VanDerWaalsContact C-N 3.35Å
15L45.4Very low55.2Low146 Ų14695.2 Ų95.276%0.76458%0.579SS**  trans-122.427.5179.7-82.9166.6000113.7S17L15-S17 PolarHBondContact O-N 2.84Å
16S41.4Very low56.5Low108 Ų10891 Ų9176%0.75557%0.566SS**  trans-70.776.5158.659.90000109.8
17S43.8Very low58Low93 Ų9391.2 Ų91.265%0.6556%0.56SS**  trans-55.4134.4170.8-162.80000109L15 Q19L15-S17 PolarHBondContact O-N 2.84Å; S17-Q19 PolarHBondContact O-N 2.8Å; S17-Q19 VanDerWaalsContact O-N 3.07Å
18P49.3Very low59.7Low106 Ų10687.7 Ų87.769%0.68854%0.543SS*.  trans-58.9119.2174.325.5-32.9000108.1T20P18-T20 VanDerWaalsContact C-N 3.31Å; P18-T20 PolarHBondContact O-N 2.84Å
19Q58.8Low61.3Low131 Ų13186.3 Ų86.361%0.61253%0.533SS*.  trans-70.392.4-179.8-69.8-174.137.300108.3S17 L21 Q42S17-Q19 PolarHBondContact O-N 2.8Å; S17-Q19 VanDerWaalsContact O-N 3.07Å; Q19-L21 PolarHBondContact O-N 3.26Å; Q19-Q42 VanDerWaalsContact CB-NE2 3.31Å; Q19-Q42 PolarHBondContact O-NE2 2.03Å
20T69.5Low62.8Low113 Ų11391.9 Ų91.969%0.69355%0.546SS*.  trans-58.3109.7179.552.20000109.2P18P18-T20 VanDerWaalsContact C-N 3.31Å; P18-T20 PolarHBondContact O-N 2.84Å
21L72.1Confident63.5Low12 Ų1293 Ų936%0.06355%0.553CS.*  trans-60140.8172.6-75.6167.5000109.7Q19 V28 P34 Q42 K45 C47Q19-L21 PolarHBondContact O-N 3.26Å; L21-V28 HydrophobicContact CB-CG1 4.15Å; L21-V28 HydrophobicContact CB-CG2 4.19Å; L21-V28 HydrophobicContact CD2-CG2 4.28Å; L21-P34 HydrophobicContact CB-CB 4.07Å; L21-P34 HydrophobicContact CB-CG 4.49Å; L21-P34 WeakPolarHBondContact O-CG 3.24Å; L21-Q42 HydrophobicContact CD2-CB 4.34Å; L21-Q42 HydrophobicContact CD2-CG 3.74Å; L21-K45 WeakPolarHBondContact CD2-O 3.47Å; L21-C47 VanDerWaalsContact CD2-SG 3.56Å
22D79.3Confident64.6Low74 Ų7493.1 Ų93.140%0.39656%0.564SS.*  trans-72.4124.7176.8-163.4-51.8000109.1G24 G25 V28 K45D22-G24 PolarHBondContact O-N 3.42Å; D22-G24 VanDerWaalsContact O-N 3.17Å; D22-G24 PolarHBondContact OD1-N 3.46Å; D22-G25 WeakPolarHBondContact O-CA 3.48Å; D22-G25 PolarHBondContact O-N 3.29Å; D22-V28 WeakPolarHBondContact O-CG2 3.41Å; D22-K45 HydrophobicContact CB-CB 4.48Å; D22-K45 PolarHBondContact N-O 3.38Å
23P74.6Confident66.1Low102 Ų10291.6 Ų91.666%0.66255%0.554SS**THydrogen-bonded Turntrans-66.2-12.5178.928.4-35.7000113.8
24G76.2Confident67.9Low71 Ų7188.8 Ų88.873%0.73253%0.534SS*.THydrogen-bonded Turntrans-96.60.6166.900000114.4D22D22-G24 PolarHBondContact O-N 3.42Å; D22-G24 VanDerWaalsContact O-N 3.17Å; D22-G24 PolarHBondContact OD1-N 3.46Å
25G79.9Confident69.8Low13 Ų1387.3 Ų87.313%0.13452%0.522CS..SBendtrans-71.9153.7-17600000114D22 N27 V28D22-G25 WeakPolarHBondContact O-CA 3.48Å; D22-G25 PolarHBondContact O-N 3.29Å; G25-N27 PolarHBondContact O-N 3.11Å; G25-V28 PolarHBondContact O-N 3.29Å
26K78.8Confident71.7Confident127 Ų12781.9 Ų81.955%0.55250%0.495SS*.THydrogen-bonded Turntrans-63.5133.3-178.5-63.7179.3-159.789.20111.4V28 E46 C47K26-V28 PolarHBondContact O-N 3.37Å; K26-E46 VanDerWaalsContact CB-OE2 3.26Å; K26-E46 WeakPolarHBondContact CB-OE2 3.3Å; K26-E46 WeakPolarHBondContact CD-OE2 3.5Å; K26-E46 WeakPolarHBondContact CG-OE2 3.36Å; K26-E46 PolarHBondContact N-OE2 3.42Å; K26-E46 IonicContact NZ-OE1 3.06Å; K26-E46 IonicContact NZ-OE2 2.67Å; K26-E46 PolarHBondContact NZ-OE2 2.91Å; K26-C47 WeakPolarHBondContact O-CB 3.3Å; K26-C47 PolarHBondContact O-N 3.32Å
27N80.9Confident73.7Confident56 Ų5677.9 Ų77.930%0.29947%0.467SS..THydrogen-bonded Turntrans54.831.8-177.9-42.9-53.2000114.2G25 C37 W40 C47G25-N27 PolarHBondContact O-N 3.11Å; N27-C37 VanDerWaalsContact C-SG 3.52Å; N27-C37 WeakPolarHBondContact O-CB 3.32Å; N27-C37 PolarHBondContact O-N 3.26Å; N27-C37 PolarHBondContact O-SG 3.35Å; N27-W40 HydrophobicContact CB-CB 4.11Å; N27-W40 HydrophobicContact CB-CD2 3.83Å; N27-W40 HydrophobicContact CB-CG 3.61Å; N27-W40 VanDerWaalsContact CG-CE2 3.44Å; N27-W40 VanDerWaalsContact ND2-CE2 3.35Å; N27-W40 WeakPolarHBondContact ND2-CZ3 3.06Å; N27-C47 HydrophobicContact CB-CB 4.07Å; N27-C47 WeakPolarHBondContact CB-O 3.37Å; N27-C47 PolarHBondContact ND2-O 3.43Å; N27-C47 WeakPolarHBondContact O-CB 3.47Å
28V85.4Confident75.6Confident26 Ų2680 Ų8016%0.15848%0.476CS..EExtended strand (participates in β ladder)trans-91.5125.7169.9-179.80000109.3L21 D22 G25 K26 P34 V35 C37L21-V28 HydrophobicContact CB-CG1 4.15Å; L21-V28 HydrophobicContact CB-CG2 4.19Å; L21-V28 HydrophobicContact CD2-CG2 4.28Å; D22-V28 WeakPolarHBondContact O-CG2 3.41Å; G25-V28 PolarHBondContact O-N 3.29Å; K26-V28 PolarHBondContact O-N 3.37Å; V28-P34 HydrophobicContact CG1-CB 3.76Å; V28-V35 CarbonylContact C-O 3.51Å; V28-V35 WeakPolarHBondContact CA-O 3.35Å; V28-C37 VanDerWaalsContact C-SG 3.53Å
29C82.8Confident77.1Confident49 Ų4976.3 Ų76.333%0.33146%0.458SS..EExtended strand (participates in β ladder)trans-109.1162.4177.1-82.90000110.3V35 C37C29-V35 PolarHBondContact N-O 3.08Å; C29-V35 PolarHBondContact O-N 2.85Å; C29-V35 VanDerWaalsContact O-O 3.1Å; C29-C37 HydrophobicContact CB-CB 3.98Å; C29-C37 WeakPolarHBondContact CB-SG 3.05Å; C29-C37 PolarHBondContact N-SG 2.81Å; C29-C37 VanDerWaalsContact N-SG 3.35Å; C29-C37 WeakPolarHBondContact SG-CA 3.28Å; C29-C37 WeakPolarHBondContact SG-CB 3.34Å; C29-C37 CovalentContact SG-SG 2.04Å; C29-C37 PolarHBondContact SG-SG 2.84Å
30K79.4Confident78.3Confident173 Ų17372 Ų7275%0.75244%0.436SS*.EExtended strand (participates in β ladder)trans-13975.7-167.8-169.2-174.1177.8-178.30112.6
31D62.2Low79Confident151 Ų15173.2 Ų73.281%0.80743%0.428SS*.SBendtrans-87.6-20.2174.4-77.7-52.6000113.8
32S69.8Low79.7Confident116 Ų11676.2 Ų76.281%0.81144%0.441SS*.SBendtrans-166.7-43170.147.10000112
33S73.4Confident79.9Confident61 Ų6178 Ų7843%0.42745%0.448SS..SBendtrans-116.8164.5164.555.30000109.5V35S33-V35 PolarHBondContact O-N 3.07Å
34P79.4Confident80.3Confident49 Ų4975 Ų7532%0.31844%0.435SS..EExtended strand (participates in β ladder)trans-67.5118.1170.828.5-33.9000109.5L21 V28L21-P34 HydrophobicContact CB-CB 4.07Å; L21-P34 HydrophobicContact CB-CG 4.49Å; L21-P34 WeakPolarHBondContact O-CG 3.24Å; V28-P34 HydrophobicContact CG1-CB 3.76Å
35V84.5Confident80.5Confident57 Ų5778.6 Ų78.635%0.34543%0.43SS..EExtended strand (participates in β ladder)trans-129.6159.7-178.3-68.50000109.4V28 C29 S33 C37V28-V35 CarbonylContact C-O 3.51Å; V28-V35 WeakPolarHBondContact CA-O 3.35Å; C29-V35 PolarHBondContact N-O 3.08Å; C29-V35 PolarHBondContact O-N 2.85Å; C29-V35 VanDerWaalsContact O-O 3.1Å; S33-V35 PolarHBondContact O-N 3.07Å; V35-C37 PolarHBondContact O-N 3.1Å
36C83.6Confident80.6Confident31 Ų3180.9 Ų80.921%0.20944%0.437CS..EExtended strand (participates in β ladder)trans-66.7136.8171.2-64.40000110.7W40 Q42 C47C36-W40 HydrophobicContact CB-CB 4.35Å; C36-W40 WeakPolarHBondContact CB-O 2.99Å; C36-Q42 PolarHBondContact SG-N 3.18Å; C36-C47 WeakPolarHBondContact CA-SG 3.5Å; C36-C47 HydrophobicContact CB-CB 3.66Å; C36-C47 WeakPolarHBondContact CB-SG 3.45Å; C36-C47 WeakPolarHBondContact SG-CB 3.43Å; C36-C47 CovalentContact SG-SG 2.03Å; C36-C47 PolarHBondContact SG-SG 3.29Å
37C84.6Confident80.9Confident25 Ų2574.8 Ų74.817%0.16941%0.411CS..PPolyproline II helixtrans-57.2149.5170.3-65.30000110.6N27 V28 C29 V35 G39 W40N27-C37 VanDerWaalsContact C-SG 3.52Å; N27-C37 WeakPolarHBondContact O-CB 3.32Å; N27-C37 PolarHBondContact O-N 3.26Å; N27-C37 PolarHBondContact O-SG 3.35Å; V28-C37 VanDerWaalsContact C-SG 3.53Å; C29-C37 HydrophobicContact CB-CB 3.98Å; C29-C37 WeakPolarHBondContact CB-SG 3.05Å; C29-C37 PolarHBondContact N-SG 2.81Å; C29-C37 VanDerWaalsContact N-SG 3.35Å; C29-C37 WeakPolarHBondContact SG-CA 3.28Å; C29-C37 WeakPolarHBondContact SG-CB 3.34Å; C29-C37 CovalentContact SG-SG 2.04Å; C29-C37 PolarHBondContact SG-SG 2.84Å; V35-C37 PolarHBondContact O-N 3.1Å; C37-G39 PolarHBondContact O-N 3.4Å; C37-W40 PolarHBondContact O-N 3.49Å
38T84.4Confident81Confident137 Ų13774.8 Ų74.884%0.8441%0.413SS*.THydrogen-bonded Turntrans-49123.7-178.651.80000111.7
39G80.3Confident80.9Confident29 Ų2976.1 Ų76.130%0.29942%0.418SS..THydrogen-bonded Turntrans87.67-17800000115.5C37 V51 P67C37-G39 PolarHBondContact O-N 3.4Å; G39-V51 WeakPolarHBondContact O-CB 3.28Å; G39-V51 PolarHBondContact O-N 2.89Å; G39-P67 VanDerWaalsContact O-CB 3.29Å; G39-P67 WeakPolarHBondContact O-CB 3.45Å; G39-P67 WeakPolarHBondContact O-CG 3.45Å
40W84.1Confident81Confident41 Ų4174.8 Ų74.816%0.15541%0.409CS..EExtended strand (participates in β ladder)trans-119.2148.9169.7-62.488.7000110.9N27 C36 C37 C47 P50 F66 P67N27-W40 HydrophobicContact CB-CB 4.11Å; N27-W40 HydrophobicContact CB-CD2 3.83Å; N27-W40 HydrophobicContact CB-CG 3.61Å; N27-W40 VanDerWaalsContact CG-CE2 3.44Å; N27-W40 VanDerWaalsContact ND2-CE2 3.35Å; N27-W40 WeakPolarHBondContact ND2-CZ3 3.06Å; C36-W40 HydrophobicContact CB-CB 4.35Å; C36-W40 WeakPolarHBondContact CB-O 2.99Å; C37-W40 PolarHBondContact O-N 3.49Å; W40-C47 HydrophobicContact CB-CB 4Å; W40-P50 HydrophobicContact CE3-CB 4.06Å; W40-P50 HydrophobicContact CH2-CB 4.23Å; W40-P50 HydrophobicContact CZ3-CB 3.82Å; W40-P50 HydrophobicContact CZ3-CG 4.33Å; W40-F66 HydrophobicContact CH2-CD2 4.08Å; W40-F66 AromaticContact CZ2-CD2 3.61Å; W40-F66 HydrophobicContact CZ2-CD2 3.61Å; W40-F66 AromaticContact CZ2-CE2 3.71Å; W40-F66 HydrophobicContact CZ2-CE2 3.71Å; W40-F66 HydrophobicContact CZ2-CG 4.31Å; W40-F66 HydrophobicContact CZ2-CZ 4.47Å; W40-P67 HydrophobicContact CD2-CG 4.47Å; W40-P67 VanDerWaalsContact CE2-CD 3.5Å; W40-P67 HydrophobicContact CZ2-CG 4.27Å
41R84.5Confident81.3Confident137 Ų13768.1 Ų68.152%0.51738%0.383SS..EExtended strand (participates in β ladder)trans-122.1150.1175.164.7-174.6-80.4-177.3-1.3111.3I49 V51R41-I49 HydrophobicContact CG-CB 3.6Å; R41-I49 HydrophobicContact CG-CG2 3.62Å; R41-I49 PolarHBondContact N-O 2.91Å; R41-V51 HydrophobicContact CB-CG2 3.73Å; R41-V51 HydrophobicContact CG-CG2 3.81Å
42Q86.1Confident82.3Confident75 Ų7561.8 Ų61.835%0.3535%0.35SS..EExtended strand (participates in β ladder)trans-66.2137.4-173.8-180165.119.900112.3Q19 L21 C36 G44Q19-Q42 VanDerWaalsContact CB-NE2 3.31Å; Q19-Q42 PolarHBondContact O-NE2 2.03Å; L21-Q42 HydrophobicContact CD2-CB 4.34Å; L21-Q42 HydrophobicContact CD2-CG 3.74Å; C36-Q42 PolarHBondContact SG-N 3.18Å; Q42-G44 VanDerWaalsContact CG-O 3.24Å; Q42-G44 WeakPolarHBondContact CG-O 3.49Å; Q42-G44 PolarHBondContact NE2-O 3.49Å
43Q83.8Confident82.7Confident113 Ų11362.6 Ų62.653%0.52834%0.341SS..EExtended strand (participates in β ladder)trans-13789.8170.3-169.91772500108.6K45 E46 T48 I49Q43-K45 PolarHBondContact O-N 3.15Å; Q43-E46 PolarHBondContact N-O 3.13Å; Q43-T48 WeakPolarHBondContact CB-OG1 3.36Å; Q43-T48 PolarHBondContact OE1-OG1 3.45Å; Q43-I49 HydrophobicContact CB-CD1 3.83Å; Q43-I49 HydrophobicContact CB-CG1 3.96Å; Q43-I49 HydrophobicContact CG-CD1 3.92Å; Q43-I49 HydrophobicContact CG-CG1 4.25Å; Q43-I49 VanDerWaalsContact OE1-CG1 3.31Å
44G82.4Confident82.9Confident38 Ų3862.7 Ų62.739%0.39235%0.352SS..THydrogen-bonded Turntrans71.9-123.6-170.200000111.3Q42Q42-G44 VanDerWaalsContact CG-O 3.24Å; Q42-G44 WeakPolarHBondContact CG-O 3.49Å; Q42-G44 PolarHBondContact NE2-O 3.49Å
45K80.9Confident82.6Confident146 Ų14670.3 Ų70.364%0.63538%0.383SS*.THydrogen-bonded Turntrans-89.8-11.5-177.2-65.8-172.8177.2-173.90115.1L21 D22 Q43L21-K45 WeakPolarHBondContact CD2-O 3.47Å; D22-K45 HydrophobicContact CB-CB 4.48Å; D22-K45 PolarHBondContact N-O 3.38Å; Q43-K45 PolarHBondContact O-N 3.15Å
46E82.4Confident81.9Confident61 Ų6173.9 Ų73.929%0.28540%0.396SS..EExtended strand (participates in β ladder)trans-116.7169.8-179.3-65.5-175.3-138.500111.1K26 Q43 T48K26-E46 VanDerWaalsContact CB-OE2 3.26Å; K26-E46 WeakPolarHBondContact CB-OE2 3.3Å; K26-E46 WeakPolarHBondContact CD-OE2 3.5Å; K26-E46 WeakPolarHBondContact CG-OE2 3.36Å; K26-E46 PolarHBondContact N-OE2 3.42Å; K26-E46 IonicContact NZ-OE1 3.06Å; K26-E46 IonicContact NZ-OE2 2.67Å; K26-E46 PolarHBondContact NZ-OE2 2.91Å; Q43-E46 PolarHBondContact N-O 3.13Å; E46-T48 HydrophobicContact CB-CG2 3.94Å
47C84.6Confident81.8Confident0 Ų075 Ų750%041%0.407CS..EExtended strand (participates in β ladder)trans-110.963.1178.4-60.70000110.4L21 K26 N27 C36 W40L21-C47 VanDerWaalsContact CD2-SG 3.56Å; K26-C47 WeakPolarHBondContact O-CB 3.3Å; K26-C47 PolarHBondContact O-N 3.32Å; N27-C47 HydrophobicContact CB-CB 4.07Å; N27-C47 WeakPolarHBondContact CB-O 3.37Å; N27-C47 PolarHBondContact ND2-O 3.43Å; N27-C47 WeakPolarHBondContact O-CB 3.47Å; C36-C47 WeakPolarHBondContact CA-SG 3.5Å; C36-C47 HydrophobicContact CB-CB 3.66Å; C36-C47 WeakPolarHBondContact CB-SG 3.45Å; C36-C47 WeakPolarHBondContact SG-CB 3.43Å; C36-C47 CovalentContact SG-SG 2.03Å; C36-C47 PolarHBondContact SG-SG 3.29Å; W40-C47 HydrophobicContact CB-CB 4Å
48T82.6Confident81.6Confident55 Ų5575.3 Ų75.334%0.33741%0.41SS..EExtended strand (participates in β ladder)trans-87.7-13-171.945.90000115.1Q43 E46Q43-T48 WeakPolarHBondContact CB-OG1 3.36Å; Q43-T48 PolarHBondContact OE1-OG1 3.45Å; E46-T48 HydrophobicContact CB-CG2 3.94Å
49I82.9Confident81.5Confident54 Ų5472.9 Ų72.928%0.27739%0.391SS..EExtended strand (participates in β ladder)trans-93120.6177.8-59.1170.1000108.8R41 Q43R41-I49 HydrophobicContact CG-CB 3.6Å; R41-I49 HydrophobicContact CG-CG2 3.62Å; R41-I49 PolarHBondContact N-O 2.91Å; Q43-I49 HydrophobicContact CB-CD1 3.83Å; Q43-I49 HydrophobicContact CB-CG1 3.96Å; Q43-I49 HydrophobicContact CG-CD1 3.92Å; Q43-I49 HydrophobicContact CG-CG1 4.25Å; Q43-I49 VanDerWaalsContact OE1-CG1 3.31Å
50P85.2Confident81.1Confident21 Ų2180.9 Ų80.914%0.13642%0.421CS..EExtended strand (participates in β ladder)trans-74151.2173.233-36.1000111.1W40 C64W40-P50 HydrophobicContact CE3-CB 4.06Å; W40-P50 HydrophobicContact CH2-CB 4.23Å; W40-P50 HydrophobicContact CZ3-CB 3.82Å; W40-P50 HydrophobicContact CZ3-CG 4.33Å; P50-C64 HydrophobicContact CG-CB 4.28Å; P50-C64 VanDerWaalsContact CG-O 3.27Å; P50-C64 WeakPolarHBondContact CG-O 3.45Å
51V85Confident80.7Confident34 Ų3482.3 Ų82.321%0.20643%0.431CS..  trans-111117.6179.5-176.10000109.1G39 R41 E53 P67G39-V51 WeakPolarHBondContact O-CB 3.28Å; G39-V51 PolarHBondContact O-N 2.89Å; R41-V51 HydrophobicContact CB-CG2 3.73Å; R41-V51 HydrophobicContact CG-CG2 3.81Å; V51-E53 HydrophobicContact CG1-CB 3.99Å; V51-E53 HydrophobicContact CG1-CG 3.71Å; V51-P67 WeakPolarHBondContact O-CA 3.04Å
52C82.9Confident80.7Confident18 Ų1877.9 Ų77.912%0.12242%0.417CS..  trans-121.285.5172.2-60.20000107Q56 A57 C58 C64 F66C52-Q56 WeakPolarHBondContact CB-O 3.47Å; C52-A57 WeakPolarHBondContact O-CA 3.04Å; C52-C58 WeakPolarHBondContact CB-SG 3.49Å; C52-C64 HydrophobicContact CB-CB 3.67Å; C52-C64 WeakPolarHBondContact CB-SG 3.16Å; C52-C64 PolarHBondContact N-SG 3.39Å; C52-C64 WeakPolarHBondContact SG-CB 3.34Å; C52-C64 CovalentContact SG-SG 2.04Å; C52-C64 PolarHBondContact SG-SG 3.39Å; C52-F66 PolarHBondContact SG-O 2.72Å
53E79.6Confident80.7Confident132 Ų13277.9 Ų77.962%0.61742%0.421SS*.  trans-133.6154.8-175.4-66.9176.9-162.200109.1V51V51-E53 HydrophobicContact CG1-CB 3.99Å; V51-E53 HydrophobicContact CG1-CG 3.71Å
54G77.9Confident80.8Confident63 Ų6374 Ų7465%0.64941%0.407SS*.G310 helixtrans78.7-142.1-174.500000113.3Q56 A57G54-Q56 PolarHBondContact O-N 3.27Å; G54-A57 VanDerWaalsContact O-CB 3.24Å; G54-A57 WeakPolarHBondContact O-CB 3.4Å; G54-A57 PolarHBondContact O-N 2.97Å; G54-A57 VanDerWaalsContact O-N 3.08Å
55E73Confident80.8Confident209 Ų20975.7 Ų75.798%0.97741%0.406SS*.G310 helixtrans-66.4-16.1-176.4-62-171.8154.200114.1
56Q69.5Low80.8Confident132 Ų13274 Ų7462%0.61740%0.399SS*.G310 helixtrans-110.530.8173.9-60.9-175.5-15.600111.9C52 G54C52-Q56 WeakPolarHBondContact CB-O 3.47Å; G54-Q56 PolarHBondContact O-N 3.27Å
57A80.9Confident80.9Confident54 Ų5472.4 Ų72.445%0.44639%0.394SS..PPolyproline II helixtrans-68.7137.9171.800000111.7C52 G54C52-A57 WeakPolarHBondContact O-CA 3.04Å; G54-A57 VanDerWaalsContact O-CB 3.24Å; G54-A57 WeakPolarHBondContact O-CB 3.4Å; G54-A57 PolarHBondContact O-N 2.97Å; G54-A57 VanDerWaalsContact O-N 3.08Å
58C81.4Confident80.5Confident32 Ų3273.6 Ų73.622%0.21641%0.406CS..PPolyproline II helixtrans-70.9147.6175.2-57.90000111.5C52 E62 C70C52-C58 WeakPolarHBondContact CB-SG 3.49Å; C58-E62 HydrophobicContact CB-CB 3.86Å; C58-C70 WeakPolarHBondContact CA-SG 3.5Å; C58-C70 HydrophobicContact CB-CB 3.76Å; C58-C70 WeakPolarHBondContact CB-SG 3.37Å; C58-C70 WeakPolarHBondContact SG-CB 3.25Å; C58-C70 CovalentContact SG-SG 2.03Å; C58-C70 PolarHBondContact SG-SG 3.07Å
59L80.6Confident80.6Confident86 Ų8673.9 Ų73.945%0.4541%0.408SS..PPolyproline II helixtrans-69.1162173.6-59179.4000110.9N61 E62 Q80L59-N61 PolarHBondContact O-N 3.3Å; L59-E62 HydrophobicContact CB-CG 4.23Å; L59-E62 PolarHBondContact N-OE2 3.42Å; L59-E62 WeakPolarHBondContact O-CB 3.26Å; L59-E62 PolarHBondContact O-N 3.36Å; L59-Q80 HydrophobicContact CD1-CG 4.04Å
60E73.6Confident80.7Confident197 Ų19773 Ų7392%0.92141%0.406SS*.THydrogen-bonded Turntrans-54.1-24-172.6-169.3174.5-160.600115.2
61N75.6Confident80.7Confident71 Ų7176.3 Ų76.338%0.3842%0.416SS..THydrogen-bonded Turntrans-106.39.1179.1-60.9-30.5000113.9L59 P73 Q80 C81L59-N61 PolarHBondContact O-N 3.3Å; N61-P73 WeakPolarHBondContact O-CD 3.36Å; N61-Q80 PolarHBondContact ND2-O 3.46Å; N61-C81 HydrophobicContact CB-CB 3.94Å
62E84.2Confident80.7Confident45 Ų4575 Ų7521%0.2141%0.408CS..  trans-109.2149.5-176-72.7171.3174.800111.8C58 L59 C70 C81C58-E62 HydrophobicContact CB-CB 3.86Å; L59-E62 HydrophobicContact CB-CG 4.23Å; L59-E62 PolarHBondContact N-OE2 3.42Å; L59-E62 WeakPolarHBondContact O-CB 3.26Å; L59-E62 PolarHBondContact O-N 3.36Å; E62-C70 HydrophobicContact CB-CB 4.18Å; E62-C70 WeakPolarHBondContact OE2-CB 3.49Å; E62-C81 VanDerWaalsContact CG-SG 3.54Å
63V84.9Confident80.7Confident74 Ų7476 Ų7645%0.44841%0.414SS..EExtended strand (participates in β ladder)trans-106.9124.7177.7-175.10000109.1I65 R71 P73V63-I65 HydrophobicContact CG1-CG2 4.35Å; V63-I65 PolarHBondContact O-N 3.27Å; V63-R71 PolarHBondContact N-O 2.78Å; V63-R71 PolarHBondContact O-N 3.05Å; V63-P73 HydrophobicContact CG2-CB 4.27Å
64C86.2Confident80.8Confident32 Ų3272.3 Ų72.322%0.21640%0.402CS..EExtended strand (participates in β ladder)trans-68115.7168.2-172.70000108.9P50 C52P50-C64 HydrophobicContact CG-CB 4.28Å; P50-C64 VanDerWaalsContact CG-O 3.27Å; P50-C64 WeakPolarHBondContact CG-O 3.45Å; C52-C64 HydrophobicContact CB-CB 3.67Å; C52-C64 WeakPolarHBondContact CB-SG 3.16Å; C52-C64 PolarHBondContact N-SG 3.39Å; C52-C64 WeakPolarHBondContact SG-CB 3.34Å; C52-C64 CovalentContact SG-SG 2.04Å; C52-C64 PolarHBondContact SG-SG 3.39Å
65I82Confident80.8Confident74 Ų7469.4 Ų69.438%0.37937%0.372SS..EExtended strand (participates in β ladder)trans-108.5-17.4-178.758.5145.6000113.5V63 V69 R71V63-I65 HydrophobicContact CG1-CG2 4.35Å; V63-I65 PolarHBondContact O-N 3.27Å; I65-V69 HydrophobicContact CD1-CG1 4.31Å; I65-V69 HydrophobicContact CG1-CG1 4.25Å; I65-V69 WeakPolarHBondContact CG1-O 3.44Å; I65-V69 PolarHBondContact N-O 3.45Å; I65-V69 VanDerWaalsContact N-O 3.1Å; I65-R71 HydrophobicContact CD1-CG 3.93Å; I65-R71 HydrophobicContact CG1-CG 4.19Å
66F81.8Confident81.3Confident109 Ų10963.4 Ų63.448%0.47834%0.343SS..EExtended strand (participates in β ladder)trans-160.4149.7178.2-171.8-86.2000106.2W40 C52 G68 V69W40-F66 HydrophobicContact CH2-CD2 4.08Å; W40-F66 AromaticContact CZ2-CD2 3.61Å; W40-F66 HydrophobicContact CZ2-CD2 3.61Å; W40-F66 AromaticContact CZ2-CE2 3.71Å; W40-F66 HydrophobicContact CZ2-CE2 3.71Å; W40-F66 HydrophobicContact CZ2-CG 4.31Å; W40-F66 HydrophobicContact CZ2-CZ 4.47Å; C52-F66 PolarHBondContact SG-O 2.72Å; F66-G68 PolarHBondContact O-N 3.05Å; F66-V69 HydrophobicContact CB-CB 4.14Å; F66-V69 HydrophobicContact CB-CG2 4.42Å; F66-V69 HydrophobicContact CD1-CG2 4.2Å; F66-V69 PolarHBondContact O-N 2.85Å
67P83.6Confident81.9Confident29 Ų2961 Ų6119%0.18833%0.329CS..THydrogen-bonded Turntrans-47.7127.3179.53.9-19.4000114G39 W40 V51 V69G39-P67 VanDerWaalsContact O-CB 3.29Å; G39-P67 WeakPolarHBondContact O-CB 3.45Å; G39-P67 WeakPolarHBondContact O-CG 3.45Å; W40-P67 HydrophobicContact CD2-CG 4.47Å; W40-P67 VanDerWaalsContact CE2-CD 3.5Å; W40-P67 HydrophobicContact CZ2-CG 4.27Å; V51-P67 WeakPolarHBondContact O-CA 3.04Å; P67-V69 PolarHBondContact O-N 2.04Å
68G78.2Confident81.8Confident25 Ų2560.2 Ų60.226%0.25833%0.326SS..THydrogen-bonded Turntrans67.35.6-177.200000116F66F66-G68 PolarHBondContact O-N 3.05Å
69V84.3Confident81.4Confident61 Ų6163.1 Ų63.137%0.3735%0.353SS..EExtended strand (participates in β ladder)trans-120.4104.5-178.2-174.30000110.9I65 F66 P67I65-V69 HydrophobicContact CD1-CG1 4.31Å; I65-V69 HydrophobicContact CG1-CG1 4.25Å; I65-V69 WeakPolarHBondContact CG1-O 3.44Å; I65-V69 PolarHBondContact N-O 3.45Å; I65-V69 VanDerWaalsContact N-O 3.1Å; F66-V69 HydrophobicContact CB-CB 4.14Å; F66-V69 HydrophobicContact CB-CG2 4.42Å; F66-V69 HydrophobicContact CD1-CG2 4.2Å; F66-V69 PolarHBondContact O-N 2.85Å; P67-V69 PolarHBondContact O-N 2.04Å
70C84.4Confident81.1Confident36 Ų3663.7 Ų63.724%0.24335%0.353CS..EExtended strand (participates in β ladder)trans-94.1146.1176.9-53.10000110.8C58 E62C58-C70 WeakPolarHBondContact CA-SG 3.5Å; C58-C70 HydrophobicContact CB-CB 3.76Å; C58-C70 WeakPolarHBondContact CB-SG 3.37Å; C58-C70 WeakPolarHBondContact SG-CB 3.25Å; C58-C70 CovalentContact SG-SG 2.03Å; C58-C70 PolarHBondContact SG-SG 3.07Å; E62-C70 HydrophobicContact CB-CB 4.18Å; E62-C70 WeakPolarHBondContact OE2-CB 3.49Å
71R84.3Confident81.2Confident89 Ų8954.6 Ų54.634%0.33631%0.311SS..EExtended strand (participates in β ladder)trans-142.6162.1171-71.8-167.6-171.8175.410.1110.9V63 I65 D94V63-R71 PolarHBondContact N-O 2.78Å; V63-R71 PolarHBondContact O-N 3.05Å; I65-R71 HydrophobicContact CD1-CG 3.93Å; I65-R71 HydrophobicContact CG1-CG 4.19Å; R71-D94 VanDerWaalsContact CD-OD2 3.26Å; R71-D94 WeakPolarHBondContact CD-OD2 3.3Å; R71-D94 WeakPolarHBondContact CG-OD2 3.26Å; R71-D94 IonicContact NE-OD2 3.75Å
72C86Confident81Confident6 Ų658.3 Ų58.34%0.04132%0.324CS..PPolyproline II helixtrans-68.7148.5171.5-65.10000112.1F76 G78 C81 P93 D94C72-F76 HydrophobicContact CB-CB 4.08Å; C72-F76 VanDerWaalsContact CB-O 3.27Å; C72-F76 WeakPolarHBondContact CB-O 3.49Å; C72-G78 PolarHBondContact SG-O 3.3Å; C72-G78 VanDerWaalsContact SG-O 3.36Å; C72-C81 WeakPolarHBondContact CA-SG 3.23Å; C72-C81 HydrophobicContact CB-CB 3.79Å; C72-C81 WeakPolarHBondContact CB-SG 3.04Å; C72-C81 WeakPolarHBondContact SG-CA 3.11Å; C72-C81 WeakPolarHBondContact SG-CB 3.39Å; C72-C81 CovalentContact SG-SG 2.04Å; C72-C81 PolarHBondContact SG-SG 2.95Å; C72-P93 WeakPolarHBondContact O-CB 3.32Å; C72-D94 WeakPolarHBondContact CB-OD1 3.42Å; C72-D94 PolarHBondContact N-OD1 2.98Å
73P82.1Confident80.1Confident39 Ų3958.7 Ų58.725%0.25333%0.329SS..PPolyproline II helixtrans-56.9155.4168.523.8-32.9000110.9N61 V63 G75 F76N61-P73 WeakPolarHBondContact O-CD 3.36Å; V63-P73 HydrophobicContact CG2-CB 4.27Å; P73-G75 PolarHBondContact O-N 2.03Å; P73-F76 HydrophobicContact CB-CD2 4.46Å; P73-F76 HydrophobicContact CG-CB 4.33Å; P73-F76 HydrophobicContact CG-CD2 3.87Å; P73-F76 HydrophobicContact CG-CG 4.34Å; P73-F76 PolarHBondContact O-N 3.29Å; P73-F76 VanDerWaalsContact O-N 3.14Å
74P82.6Confident79.2Confident55 Ų5563.2 Ų63.236%0.35735%0.346SS..THydrogen-bonded Turntrans-52.1133.7177.9-21.929.7000111.5P93 V110P74-P93 HydrophobicContact CB-CG 4.35Å; P74-P93 HydrophobicContact CG-CG 3.99Å; P74-V110 HydrophobicContact CB-CB 4.38Å; P74-V110 HydrophobicContact CB-CG1 4.08Å
75G78Confident78.6Confident3 Ų369.1 Ų69.13%0.03137%0.37CS..THydrogen-bonded Turntrans92.7-6.9-17900000115.9P73 C86 A109P73-G75 PolarHBondContact O-N 2.03Å; G75-C86 WeakPolarHBondContact CA-SG 3.02Å; G75-C86 PolarHBondContact O-N 3.06Å; G75-C86 PolarHBondContact O-SG 3.02Å; G75-C86 VanDerWaalsContact O-SG 3.34Å; G75-A109 WeakPolarHBondContact CA-O 3.04Å; G75-A109 PolarHBondContact N-O 3.2Å
76F83.3Confident78.5Confident82 Ų8266 Ų6636%0.3636%0.355SS..  trans-121.1156.7178.8-63.2-91.6000111.8C72 P73 C81 D94C72-F76 HydrophobicContact CB-CB 4.08Å; C72-F76 VanDerWaalsContact CB-O 3.27Å; C72-F76 WeakPolarHBondContact CB-O 3.49Å; P73-F76 HydrophobicContact CB-CD2 4.46Å; P73-F76 HydrophobicContact CG-CB 4.33Å; P73-F76 HydrophobicContact CG-CD2 3.87Å; P73-F76 HydrophobicContact CG-CG 4.34Å; P73-F76 PolarHBondContact O-N 3.29Å; P73-F76 VanDerWaalsContact O-N 3.14Å; F76-C81 HydrophobicContact CB-CB 4.39Å; F76-D94 VanDerWaalsContact O-CA 3.23Å; F76-D94 WeakPolarHBondContact O-CA 3.38Å; F76-D94 PolarHBondContact O-N 3.36Å
77Y82.6Confident78.6Confident81 Ų8163.4 Ų63.432%0.31835%0.349SS..  trans-153.9169.2178.773.8-67.4000112.7T83 P87 C95Y77-T83 HydrophobicContact CD1-CG2 4.34Å; Y77-T83 HydrophobicContact CE1-CG2 3.59Å; Y77-T83 HydrophobicContact CE2-CG2 4.49Å; Y77-T83 WeakPolarHBondContact O-CB 3.47Å; Y77-T83 PolarHBondContact O-OG1 2.84Å; Y77-P87 HydrophobicContact CE1-CG 4.18Å; Y77-C95 WeakPolarHBondContact CD1-SG 3.21Å; Y77-C95 HydrophobicContact CG-CB 4.4Å
78G78.8Confident78.4Confident38 Ų3866.7 Ų66.739%0.39236%0.364SS..SBendtrans92.4159.6179.400000113.2C72 Q80 C81C72-G78 PolarHBondContact SG-O 3.3Å; C72-G78 VanDerWaalsContact SG-O 3.36Å; G78-Q80 PolarHBondContact O-N 3.42Å; G78-C81 PolarHBondContact O-N 3.26Å
79A72.9Confident78.7Confident94 Ų9466.5 Ų66.578%0.77736%0.36SS*.THydrogen-bonded Turntrans-68.112.8-162.500000117.6
80Q74Confident78.8Confident97 Ų9767.7 Ų67.745%0.45336%0.36SS..THydrogen-bonded Turntrans-149.28.9168.6-61.6-168.3-5.400112L59 N61 G78 K82L59-Q80 HydrophobicContact CD1-CG 4.04Å; N61-Q80 PolarHBondContact ND2-O 3.46Å; G78-Q80 PolarHBondContact O-N 3.42Å; Q80-K82 HydrophobicContact CB-CD 4Å; Q80-K82 HydrophobicContact CB-CG 4.17Å; Q80-K82 PolarHBondContact O-N 2.96Å
81C75.6Confident79Confident7 Ų768.4 Ų68.45%0.04736%0.358CS..SBendtrans53.722.7-175.9-44.50000115.6N61 E62 C72 F76 G78N61-C81 HydrophobicContact CB-CB 3.94Å; E62-C81 VanDerWaalsContact CG-SG 3.54Å; C72-C81 WeakPolarHBondContact CA-SG 3.23Å; C72-C81 HydrophobicContact CB-CB 3.79Å; C72-C81 WeakPolarHBondContact CB-SG 3.04Å; C72-C81 WeakPolarHBondContact SG-CA 3.11Å; C72-C81 WeakPolarHBondContact SG-CB 3.39Å; C72-C81 CovalentContact SG-SG 2.04Å; C72-C81 PolarHBondContact SG-SG 2.95Å; F76-C81 HydrophobicContact CB-CB 4.39Å; G78-C81 PolarHBondContact O-N 3.26Å
82K70.3Confident78.9Confident149 Ų14964.6 Ų64.665%0.64835%0.346SS*.  trans-89.93.1-178.8-74.1173-175.2170.30114.3Q80Q80-K82 HydrophobicContact CB-CD 4Å; Q80-K82 HydrophobicContact CB-CG 4.17Å; Q80-K82 PolarHBondContact O-N 2.96Å
83T66.9Low78.8Confident52 Ų5266.6 Ų66.632%0.31936%0.358SS..SBendtrans-76147179.8-37.30000110.2Y77Y77-T83 HydrophobicContact CD1-CG2 4.34Å; Y77-T83 HydrophobicContact CE1-CG2 3.59Å; Y77-T83 HydrophobicContact CE2-CG2 4.49Å; Y77-T83 WeakPolarHBondContact O-CB 3.47Å; Y77-T83 PolarHBondContact O-OG1 2.84Å
84E65.4Low78.8Confident170 Ų17066.2 Ų66.279%0.79435%0.354SS*.  trans-51.6160.7163.3-59.1-76.1134.200111.1
85E72.6Confident79Confident155 Ų15564 Ų6472%0.72434%0.34SS*.SBendtrans-44150.8-171.5-56.8-178.1154.100115.2
86C80.6Confident79.2Confident9 Ų971.6 Ų71.66%0.06137%0.368CS..  trans-41.3133177.7-74.80000113.4G75 L88 C95 A109G75-C86 WeakPolarHBondContact CA-SG 3.02Å; G75-C86 PolarHBondContact O-N 3.06Å; G75-C86 PolarHBondContact O-SG 3.02Å; G75-C86 VanDerWaalsContact O-SG 3.34Å; C86-L88 PolarHBondContact O-N 3.12Å; C86-C95 WeakPolarHBondContact CA-SG 3.31Å; C86-C95 HydrophobicContact CB-CB 3.87Å; C86-C95 WeakPolarHBondContact CB-SG 3.49Å; C86-C95 VanDerWaalsContact SG-CA 3.59Å; C86-C95 WeakPolarHBondContact SG-CB 2.98Å; C86-C95 CovalentContact SG-SG 2.03Å; C86-C95 PolarHBondContact SG-SG 3.02Å; C86-A109 HydrophobicContact CB-CB 3.88Å
87P84.9Confident79.4Confident54 Ų5472.7 Ų72.735%0.35137%0.374SS..  trans-56.4140.8177.7-22.832.7000110.8Y77 A89 F90Y77-P87 HydrophobicContact CE1-CG 4.18Å; P87-A89 PolarHBondContact O-N 3.4Å; P87-F90 HydrophobicContact CB-CD2 4.35Å; P87-F90 PolarHBondContact O-N 2.02Å
88L79.6Confident79.8Confident99 Ų9973.2 Ų73.252%0.51839%0.386SS..THydrogen-bonded Turntrans-54-12.1-166.3-60175.1000117.3C86 R106C86-L88 PolarHBondContact O-N 3.12Å; L88-R106 HydrophobicContact CD2-CB 4.13Å
89A83.3Confident80.3Confident20 Ų2071.5 Ų71.517%0.16537%0.368CS..THydrogen-bonded Turntrans-92.5-1174.200000113.8P87 V98 C99P87-A89 PolarHBondContact O-N 3.4Å; A89-V98 CarbonylContact O-C 3.55Å; A89-V98 WeakPolarHBondContact O-CA 3.43Å; A89-C99 PolarHBondContact O-N 3.47Å
90F86.4Confident81Confident87 Ų8770.6 Ų70.638%0.38235%0.354SS..EExtended strand (participates in β ladder)trans-140.2160.8-169.3-62.2-85000113.7P87 C95 Q97 V98P87-F90 HydrophobicContact CB-CD2 4.35Å; P87-F90 PolarHBondContact O-N 2.02Å; F90-C95 HydrophobicContact CB-CB 4.06Å; F90-C95 WeakPolarHBondContact CB-O 3.4Å; F90-Q97 CarbonylContact C-O 3.5Å; F90-Q97 WeakPolarHBondContact CA-O 3.1Å; F90-V98 HydrophobicContact CD1-CG2 4.21Å; F90-V98 HydrophobicContact CE1-CG2 3.91Å
91W88.3Confident81.7Confident51 Ų5166.1 Ų66.119%0.19333%0.333CS..EExtended strand (participates in β ladder)trans-160.4-178.3-18065.3-74.7000112.1C95 R96 Q97 V98 C107 G112W91-C95 CarbonylContact O-C 3.45Å; W91-C95 VanDerWaalsContact O-C 3.29Å; W91-C95 WeakPolarHBondContact O-CA 3.43Å; W91-R96 PolarHBondContact O-N 3.42Å; W91-Q97 HydrophobicContact CD2-CB 4.16Å; W91-Q97 HydrophobicContact CG-CB 4.35Å; W91-Q97 HydrophobicContact CZ2-CB 4.17Å; W91-Q97 PolarHBondContact N-O 2.94Å; W91-Q97 PolarHBondContact O-N 3.29Å; W91-Q97 VanDerWaalsContact O-N 3.08Å; W91-V98 PolarHBondContact NE1-O 3.4Å; W91-C107 HydrophobicContact CB-CB 4Å; W91-C107 HydrophobicContact CG-CB 4.19Å; W91-G112 VanDerWaalsContact CE3-N 3.32Å
92A83.7Confident82.4Confident9 Ų970.2 Ų70.27%0.07435%0.351CS..SBendtrans73177.8-177.400000113.7C95 Q97 A109A92-C95 WeakPolarHBondContact O-CA 2.99Å; A92-C95 PolarHBondContact O-N 3.24Å; A92-Q97 HydrophobicContact CB-CB 4.24Å; A92-Q97 HydrophobicContact CB-CG 4.07Å; A92-A109 PolarHBondContact N-O 2.85Å
93P83.6Confident83.2Confident47 Ų4766.9 Ų66.931%0.30535%0.345SS..G310 helixtrans-53.5136.2176.2-31.138.5000113.6C72 P74 C95 R96C72-P93 WeakPolarHBondContact O-CB 3.32Å; P74-P93 HydrophobicContact CB-CG 4.35Å; P74-P93 HydrophobicContact CG-CG 3.99Å; P93-C95 PolarHBondContact O-N 3.37Å; P93-C95 VanDerWaalsContact O-N 3.09Å; P93-R96 WeakPolarHBondContact O-CG 3.36Å; P93-R96 PolarHBondContact O-N 2.94Å
94D82.5Confident84.2Confident31 Ų3167.8 Ų67.817%0.16635%0.345CS..G310 helixtrans49.821.7-169.2-29.1-56.2000114.5R71 C72 F76 R96R71-D94 VanDerWaalsContact CD-OD2 3.26Å; R71-D94 WeakPolarHBondContact CD-OD2 3.3Å; R71-D94 WeakPolarHBondContact CG-OD2 3.26Å; R71-D94 IonicContact NE-OD2 3.75Å; C72-D94 WeakPolarHBondContact CB-OD1 3.42Å; C72-D94 PolarHBondContact N-OD1 2.98Å; F76-D94 VanDerWaalsContact O-CA 3.23Å; F76-D94 WeakPolarHBondContact O-CA 3.38Å; F76-D94 PolarHBondContact O-N 3.36Å; D94-R96 HydrophobicContact CB-CG 3.97Å; D94-R96 PolarHBondContact O-N 3.45Å; D94-R96 IonicContact OD2-CZ 3.05Å; D94-R96 IonicContact OD2-NE 4Å; D94-R96 PolarHBondContact OD2-NE 3.36Å; D94-R96 IonicContact OD2-NH2 2.76Å; D94-R96 PolarHBondContact OD2-NH2 3.43Å
95C85Confident85.3Confident10 Ų1059.7 Ų59.77%0.06831%0.307CS..G310 helixtrans5335-177.2-48.50000114.2Y77 C86 F90 W91 A92 P93 Q97Y77-C95 WeakPolarHBondContact CD1-SG 3.21Å; Y77-C95 HydrophobicContact CG-CB 4.4Å; C86-C95 WeakPolarHBondContact CA-SG 3.31Å; C86-C95 HydrophobicContact CB-CB 3.87Å; C86-C95 WeakPolarHBondContact CB-SG 3.49Å; C86-C95 VanDerWaalsContact SG-CA 3.59Å; C86-C95 WeakPolarHBondContact SG-CB 2.98Å; C86-C95 CovalentContact SG-SG 2.03Å; C86-C95 PolarHBondContact SG-SG 3.02Å; F90-C95 HydrophobicContact CB-CB 4.06Å; F90-C95 WeakPolarHBondContact CB-O 3.4Å; W91-C95 CarbonylContact O-C 3.45Å; W91-C95 VanDerWaalsContact O-C 3.29Å; W91-C95 WeakPolarHBondContact O-CA 3.43Å; A92-C95 WeakPolarHBondContact O-CA 2.99Å; A92-C95 PolarHBondContact O-N 3.24Å; P93-C95 PolarHBondContact O-N 3.37Å; P93-C95 VanDerWaalsContact O-N 3.09Å; C95-Q97 PolarHBondContact O-N 2.96Å
96R83.9Confident86Confident162 Ų16258.5 Ų58.561%0.61130%0.296SS*.  trans-78-15.4-172.2-59.2-176.1-167.5-130.73.1115.2W91 P93 D94W91-R96 PolarHBondContact O-N 3.42Å; P93-R96 WeakPolarHBondContact O-CG 3.36Å; P93-R96 PolarHBondContact O-N 2.94Å; D94-R96 HydrophobicContact CB-CG 3.97Å; D94-R96 PolarHBondContact O-N 3.45Å; D94-R96 IonicContact OD2-CZ 3.05Å; D94-R96 IonicContact OD2-NE 4Å; D94-R96 PolarHBondContact OD2-NE 3.36Å; D94-R96 IonicContact OD2-NH2 2.76Å; D94-R96 PolarHBondContact OD2-NH2 3.43Å
97Q87.3Confident86.5Confident105 Ų10558.8 Ų58.849%0.49130%0.298SS..EExtended strand (participates in β ladder)trans-100.5145.6179.7-63.4-157.922.900111.7F90 W91 A92 C95F90-Q97 CarbonylContact C-O 3.5Å; F90-Q97 WeakPolarHBondContact CA-O 3.1Å; W91-Q97 HydrophobicContact CD2-CB 4.16Å; W91-Q97 HydrophobicContact CG-CB 4.35Å; W91-Q97 HydrophobicContact CZ2-CB 4.17Å; W91-Q97 PolarHBondContact N-O 2.94Å; W91-Q97 PolarHBondContact O-N 3.29Å; W91-Q97 VanDerWaalsContact O-N 3.08Å; A92-Q97 HydrophobicContact CB-CB 4.24Å; A92-Q97 HydrophobicContact CB-CG 4.07Å; C95-Q97 PolarHBondContact O-N 2.96Å
98V89.5Confident86.6Confident92 Ų9259.4 Ų59.456%0.55830%0.299SS*.EExtended strand (participates in β ladder)trans-84.9140.4179.3-177.40000110.4A89 F90 W91 P100A89-V98 CarbonylContact O-C 3.55Å; A89-V98 WeakPolarHBondContact O-CA 3.43Å; F90-V98 HydrophobicContact CD1-CG2 4.21Å; F90-V98 HydrophobicContact CE1-CG2 3.91Å; W91-V98 PolarHBondContact NE1-O 3.4Å; V98-P100 VanDerWaalsContact O-CD 3.25Å; V98-P100 WeakPolarHBondContact O-CD 3.45Å
99C89.4Confident86.8Confident2 Ų255.5 Ų55.51%0.01428%0.281CS..  trans-65.6111.6171.3150.60000109.3A89 C101 H102 C107A89-C99 PolarHBondContact O-N 3.47Å; C99-C101 WeakPolarHBondContact CB-SG 3.45Å; C99-C101 PolarHBondContact O-N 2.96Å; C99-C101 VanDerWaalsContact O-N 3.1Å; C99-C101 VanDerWaalsContact SG-C 3.53Å; C99-C101 WeakPolarHBondContact SG-CB 3.49Å; C99-C101 CovalentContact SG-SG 2.05Å; C99-C101 PolarHBondContact SG-SG 2.95Å; C99-H102 HydrophobicContact CB-CB 4.16Å; C99-H102 WeakPolarHBondContact O-CB 3.44Å; C99-H102 PolarHBondContact O-N 2.83Å; C99-H102 PolarHBondContact SG-N 3.47Å; C99-C107 WeakPolarHBondContact CA-SG 3.4Å; C99-C107 HydrophobicContact CB-CB 3.96Å; C99-C107 WeakPolarHBondContact CB-SG 3.29Å
100P88.1Confident86.8Confident75 Ų7558.4 Ų58.449%0.48730%0.296SS..THydrogen-bonded Turntrans-67.8-10.9177.631.2-36.4000112.1V98 L124V98-P100 VanDerWaalsContact O-CD 3.25Å; V98-P100 WeakPolarHBondContact O-CD 3.45Å; P100-L124 HydrophobicContact CB-CD2 3.95Å; P100-L124 HydrophobicContact CG-CD2 3.81Å
101C89.7Confident86.9Confident2 Ų258 Ų581%0.01430%0.301CS..THydrogen-bonded Turntrans-74.9-16.6168.334.60000115.4C99 H104 G105 R106 C107 C114C99-C101 WeakPolarHBondContact CB-SG 3.45Å; C99-C101 PolarHBondContact O-N 2.96Å; C99-C101 VanDerWaalsContact O-N 3.1Å; C99-C101 VanDerWaalsContact SG-C 3.53Å; C99-C101 WeakPolarHBondContact SG-CB 3.49Å; C99-C101 CovalentContact SG-SG 2.05Å; C99-C101 PolarHBondContact SG-SG 2.95Å; C101-H104 CarbonylContact O-C 3.57Å; C101-H104 WeakPolarHBondContact O-CA 3.11Å; C101-H104 PolarHBondContact O-N 2.77Å; C101-G105 PolarHBondContact O-N 3.35Å; C101-R106 VanDerWaalsContact SG-C 3.51Å; C101-C107 PolarHBondContact SG-N 3.17Å; C101-C107 VanDerWaalsContact SG-N 3.35Å; C101-C107 PolarHBondContact SG-SG 3.04Å; C101-C114 HydrophobicContact CB-CB 3.89Å; C101-C114 VanDerWaalsContact CB-SG 3.55Å
102H89.4Confident86.7Confident93 Ų9356 Ų5643%0.43130%0.297SS..THydrogen-bonded Turntrans-78.8135.5-168.1-16579.3000110.9C99C99-H102 HydrophobicContact CB-CB 4.16Å; C99-H102 WeakPolarHBondContact O-CB 3.44Å; C99-H102 PolarHBondContact O-N 2.83Å; C99-H102 PolarHBondContact SG-N 3.47Å
103P87.8Confident86.9Confident80 Ų8061.7 Ų61.752%0.51932%0.322SS..THydrogen-bonded Turncis-102.434.6640.3-34.8000113.1
104H87.6Confident87.1Confident70 Ų7060.7 Ų60.732%0.32432%0.316SS..THydrogen-bonded Turntrans-113.1-9.7-171.3-72.7-1.6000114.1C101 Y117 R120 C125C101-H104 CarbonylContact O-C 3.57Å; C101-H104 WeakPolarHBondContact O-CA 3.11Å; C101-H104 PolarHBondContact O-N 2.77Å; H104-Y117 VanDerWaalsContact C-CD2 3.44Å; H104-Y117 VanDerWaalsContact O-CD2 3.26Å; H104-Y117 WeakPolarHBondContact O-CD2 3.01Å; H104-Y117 PolarHBondContact O-N 3.48Å; H104-R120 HydrophobicContact CB-CG 4.03Å; H104-R120 PolarHBondContact CD2-NE 3.24Å; H104-R120 VanDerWaalsContact CD2-NE 3.27Å; H104-R120 PolarHBondContact CE1-NH2 3.01Å; H104-R120 PolarHBondContact NE2-NH2 2.04Å; H104-C125 HydrophobicContact CB-CB 4.09Å
105G87.5Confident87.4Confident0 Ų061.4 Ų61.40%032%0.321CS..EExtended strand (participates in β ladder)trans-152.9-166.2161.600000110.3C101 T115C101-G105 PolarHBondContact O-N 3.35Å; G105-T115 CarbonylContact C-O 3.47Å; G105-T115 WeakPolarHBondContact CA-O 3.18Å
106R88.7Confident87.6Confident130 Ų13061.4 Ų61.449%0.49132%0.321SS..EExtended strand (participates in β ladder)trans-128.2144.8174.465.2-175-177162.87.6109.8L88 C101 T115L88-R106 HydrophobicContact CD2-CB 4.13Å; C101-R106 VanDerWaalsContact SG-C 3.51Å; R106-T115 WeakPolarHBondContact CG-OG1 3.48Å; R106-T115 PolarHBondContact N-O 2.87Å; R106-T115 PolarHBondContact NE-OG1 3.48Å; R106-T115 PolarHBondContact O-N 3.18Å; R106-T115 PolarHBondContact O-OG1 3.04Å
107C89.9Confident87.8Confident16 Ų1658 Ų5811%0.10831%0.309CS..EExtended strand (participates in β ladder)trans-73.2154.5170.3-86.30000111.1W91 C99 C101 G112 E113W91-C107 HydrophobicContact CB-CB 4Å; W91-C107 HydrophobicContact CG-CB 4.19Å; C99-C107 WeakPolarHBondContact CA-SG 3.4Å; C99-C107 HydrophobicContact CB-CB 3.96Å; C99-C107 WeakPolarHBondContact CB-SG 3.29Å; C101-C107 PolarHBondContact SG-N 3.17Å; C101-C107 VanDerWaalsContact SG-N 3.35Å; C101-C107 PolarHBondContact SG-SG 3.04Å; C107-G112 PolarHBondContact SG-O 2.9Å; C107-E113 CarbonylContact C-O 3.56Å; C107-E113 WeakPolarHBondContact CA-O 3.11Å
108N88.6Confident87.6Confident66 Ų6657.6 Ų57.635%0.35332%0.315SS..  trans-66.1123.8147.7178.4-31.5000108.2V110 T111 G112 E113N108-V110 PolarHBondContact O-N 2.88Å; N108-V110 WeakPolarHBondContact OD1-CB 3.38Å; N108-V110 PolarHBondContact OD1-N 3.05Å; N108-T111 WeakPolarHBondContact CB-OG1 3.38Å; N108-T111 PolarHBondContact ND2-OG1 2.97Å; N108-T111 PolarHBondContact O-N 2.82Å; N108-T111 PolarHBondContact OD1-N 2.91Å; N108-G112 WeakPolarHBondContact O-CA 3.4Å; N108-G112 PolarHBondContact O-N 2.95Å; N108-E113 HydrophobicContact CB-CB 4.16Å; N108-E113 PolarHBondContact N-O 3.34Å
109A83.1Confident87.3Confident17 Ų1757.3 Ų57.314%0.1431%0.314CS..THydrogen-bonded Turntrans-60.6-29.6-174.400000113.4G75 C86 A92G75-A109 WeakPolarHBondContact CA-O 3.04Å; G75-A109 PolarHBondContact N-O 3.2Å; C86-A109 HydrophobicContact CB-CB 3.88Å; A92-A109 PolarHBondContact N-O 2.85Å
110V84Confident87.2Confident81 Ų8159.6 Ų59.649%0.49132%0.322SS..THydrogen-bonded Turntrans-83.9-51179.3174.80000111.6P74 N108P74-V110 HydrophobicContact CB-CB 4.38Å; P74-V110 HydrophobicContact CB-CG1 4.08Å; N108-V110 PolarHBondContact O-N 2.88Å; N108-V110 WeakPolarHBondContact OD1-CB 3.38Å; N108-V110 PolarHBondContact OD1-N 3.05Å
111T86.8Confident87.3Confident79 Ų7959.5 Ų59.549%0.48531%0.312SS..THydrogen-bonded Turntrans-102.5-13.4-166.564.70000115.2N108 E113N108-T111 WeakPolarHBondContact CB-OG1 3.38Å; N108-T111 PolarHBondContact ND2-OG1 2.97Å; N108-T111 PolarHBondContact O-N 2.82Å; N108-T111 PolarHBondContact OD1-N 2.91Å; T111-E113 PolarHBondContact O-N 2.82Å; T111-E113 WeakPolarHBondContact OG1-CB 3.42Å; T111-E113 PolarHBondContact OG1-N 3.05Å
112G84.2Confident87.2Confident10 Ų1059.8 Ų59.810%0.10332%0.315CS..  trans761.2-172.800000114.8W91 C107 N108 C114W91-G112 VanDerWaalsContact CE3-N 3.32Å; C107-G112 PolarHBondContact SG-O 2.9Å; N108-G112 WeakPolarHBondContact O-CA 3.4Å; N108-G112 PolarHBondContact O-N 2.95Å; G112-C114 PolarHBondContact O-N 3.19Å
113E88.6Confident87Confident128 Ų12860.3 Ų60.360%0.59833%0.327SS*.  trans-62.6131.1-178.5-171.3-177.6179.800112.1C107 N108 T111C107-E113 CarbonylContact C-O 3.56Å; C107-E113 WeakPolarHBondContact CA-O 3.11Å; N108-E113 HydrophobicContact CB-CB 4.16Å; N108-E113 PolarHBondContact N-O 3.34Å; T111-E113 PolarHBondContact O-N 2.82Å; T111-E113 WeakPolarHBondContact OG1-CB 3.42Å; T111-E113 PolarHBondContact OG1-N 3.05Å
114C88.3Confident87Confident26 Ų2660.3 Ų60.318%0.17632%0.322CS..EExtended strand (participates in β ladder)trans-84.6121.2-172.5-65.40000112.4C101 G112 P123C101-C114 HydrophobicContact CB-CB 3.89Å; C101-C114 VanDerWaalsContact CB-SG 3.55Å; G112-C114 PolarHBondContact O-N 3.19Å; C114-P123 VanDerWaalsContact CB-O 3.3Å; C114-P123 WeakPolarHBondContact CB-O 3.06Å
115T88.9Confident87.1Confident46 Ų4657 Ų5728%0.28231%0.307SS..EExtended strand (participates in β ladder)trans-110.7116.7171.362.90000111.4G105 R106G105-T115 CarbonylContact C-O 3.47Å; G105-T115 WeakPolarHBondContact CA-O 3.18Å; R106-T115 WeakPolarHBondContact CG-OG1 3.48Å; R106-T115 PolarHBondContact N-O 2.87Å; R106-T115 PolarHBondContact NE-OG1 3.48Å; R106-T115 PolarHBondContact O-N 3.18Å; R106-T115 PolarHBondContact O-OG1 3.04Å
116C89.1Confident87.1Confident9 Ų961.7 Ų61.76%0.06133%0.329CS..EExtended strand (participates in β ladder)trans-83.5146.4-170.3-51.70000114.3R120 G122 C125C116-R120 HydrophobicContact CB-CB 4.17Å; C116-R120 WeakPolarHBondContact CB-O 3.18Å; C116-G122 PolarHBondContact SG-O 3.44Å; C116-C125 WeakPolarHBondContact CA-SG 3.25Å; C116-C125 HydrophobicContact CB-CB 3.68Å; C116-C125 WeakPolarHBondContact CB-SG 3.03Å; C116-C125 WeakPolarHBondContact SG-CA 3.5Å; C116-C125 WeakPolarHBondContact SG-CB 3.01Å; C116-C125 CovalentContact SG-SG 2.04Å; C116-C125 PolarHBondContact SG-SG 3.02Å
117Y87.2Confident87.1Confident92 Ų9258.3 Ų58.336%0.36132%0.32SS..  trans-67.7155.7169.2-63.1-53.6000111.1H104 T119 R120H104-Y117 VanDerWaalsContact C-CD2 3.44Å; H104-Y117 VanDerWaalsContact O-CD2 3.26Å; H104-Y117 WeakPolarHBondContact O-CD2 3.01Å; H104-Y117 PolarHBondContact O-N 3.48Å; Y117-T119 PolarHBondContact O-N 2.97Å; Y117-R120 PolarHBondContact O-N 3.39Å
118P82.6Confident87Confident96 Ų9661.3 Ų61.362%0.62334%0.338SS*.THydrogen-bonded Turntrans-58.9-16.3-169.8-27.436000117
119T83.4Confident86.9Confident86 Ų8659.3 Ų59.353%0.52833%0.329SS..THydrogen-bonded Turntrans-95.89.3177620000113.3Y117 C129Y117-T119 PolarHBondContact O-N 2.97Å; T119-C129 VanDerWaalsContact C-SG 3.59Å; T119-C129 PolarHBondContact O-N 3.07Å
120R88.6Confident87Confident50 Ų5065 Ų6519%0.18935%0.353CS..EExtended strand (participates in β ladder)trans-137.3149.3-174.5-66.5-63.9-167.2-77-0.6112.7H104 C116 Y117 C125 N127 C129H104-R120 HydrophobicContact CB-CG 4.03Å; H104-R120 PolarHBondContact CD2-NE 3.24Å; H104-R120 VanDerWaalsContact CD2-NE 3.27Å; H104-R120 PolarHBondContact CE1-NH2 3.01Å; H104-R120 PolarHBondContact NE2-NH2 2.04Å; C116-R120 HydrophobicContact CB-CB 4.17Å; C116-R120 WeakPolarHBondContact CB-O 3.18Å; Y117-R120 PolarHBondContact O-N 3.39Å; R120-C125 HydrophobicContact CB-CB 4.12Å; R120-C125 WeakPolarHBondContact CD-O 3.4Å; R120-N127 CarbonylContact C-O 3.55Å; R120-N127 VanDerWaalsContact CA-O 3.25Å; R120-N127 WeakPolarHBondContact CA-O 3.05Å; R120-N127 WeakPolarHBondContact CD-O 3.34Å; R120-C129 PolarHBondContact N-SG 3.11Å
121W90.3Very high87.1Confident72 Ų7262.6 Ų62.627%0.27334%0.339SS..EExtended strand (participates in β ladder)trans-148.9170.6177.869.6-86000112.2C125 Q126 N127 T128 R139W121-C125 CarbonylContact O-C 3.48Å; W121-Q126 PolarHBondContact O-N 3.03Å; W121-N127 HydrophobicContact CD2-CB 3.66Å; W121-N127 HydrophobicContact CE3-CB 4.38Å; W121-N127 HydrophobicContact CG-CB 3.93Å; W121-N127 HydrophobicContact CH2-CB 4.47Å; W121-N127 VanDerWaalsContact CH2-ND2 3.27Å; W121-N127 WeakPolarHBondContact CH2-ND2 3.42Å; W121-N127 HydrophobicContact CZ2-CB 3.76Å; W121-N127 WeakPolarHBondContact CZ2-ND2 3.44Å; W121-N127 WeakPolarHBondContact CZ3-ND2 3.49Å; W121-N127 PolarHBondContact N-O 2.89Å; W121-N127 VanDerWaalsContact NE1-CB 3.3Å; W121-N127 WeakPolarHBondContact O-CB 3.48Å; W121-N127 PolarHBondContact O-N 3.29Å; W121-N127 VanDerWaalsContact O-N 3.1Å; W121-T128 PolarHBondContact NE1-O 3.39Å; W121-R139 VanDerWaalsContact CA-O 3.31Å; W121-R139 WeakPolarHBondContact CA-O 3.12Å; W121-R139 WeakPolarHBondContact CB-O 3.26Å
122G87Confident86.8Confident8 Ų860.4 Ų60.48%0.08233%0.327CS..SBendtrans94.8166.9-177.400000112.6C116 L124 C125 R139C116-G122 PolarHBondContact SG-O 3.44Å; G122-L124 PolarHBondContact O-N 3.44Å; G122-L124 VanDerWaalsContact O-N 3.1Å; G122-C125 PolarHBondContact O-N 3.27Å; G122-R139 PolarHBondContact N-O 2.8Å
123P84.7Confident86.7Confident104 Ų10463.8 Ų63.868%0.67536%0.362SS*.THydrogen-bonded Turntrans-63.6-21.7-167.324.8-35.5000114.7C114C114-P123 VanDerWaalsContact CB-O 3.3Å; C114-P123 WeakPolarHBondContact CB-O 3.06Å
124L87.8Confident86.5Confident81 Ų8160.1 Ų60.142%0.42435%0.347SS..THydrogen-bonded Turntrans-120.618.4175.2-59.7179.7000111.6P100 G122 Q126P100-L124 HydrophobicContact CB-CD2 3.95Å; P100-L124 HydrophobicContact CG-CD2 3.81Å; G122-L124 PolarHBondContact O-N 3.44Å; G122-L124 VanDerWaalsContact O-N 3.1Å; L124-Q126 PolarHBondContact O-N 3.32Å; L124-Q126 VanDerWaalsContact O-N 3.15Å
125C89.4Confident86.3Confident0 Ų059.5 Ų59.50%035%0.345CS..SBendtrans58.126.1-178.3-47.50000114.1H104 C116 R120 W121 G122H104-C125 HydrophobicContact CB-CB 4.09Å; C116-C125 WeakPolarHBondContact CA-SG 3.25Å; C116-C125 HydrophobicContact CB-CB 3.68Å; C116-C125 WeakPolarHBondContact CB-SG 3.03Å; C116-C125 WeakPolarHBondContact SG-CA 3.5Å; C116-C125 WeakPolarHBondContact SG-CB 3.01Å; C116-C125 CovalentContact SG-SG 2.04Å; C116-C125 PolarHBondContact SG-SG 3.02Å; R120-C125 HydrophobicContact CB-CB 4.12Å; R120-C125 WeakPolarHBondContact CD-O 3.4Å; W121-C125 CarbonylContact O-C 3.48Å; G122-C125 PolarHBondContact O-N 3.27Å
126Q88.4Confident86.3Confident98 Ų9863.2 Ų63.246%0.45836%0.358SS..  trans-75.8-26.8-171.867.8-88.747.700113.7W121 L124W121-Q126 PolarHBondContact O-N 3.03Å; L124-Q126 PolarHBondContact O-N 3.32Å; L124-Q126 VanDerWaalsContact O-N 3.15Å
127N88.2Confident86.3Confident59 Ų5963.7 Ų63.732%0.31636%0.362SS..EExtended strand (participates in β ladder)trans-93.7139.4-174.2-62.5-29.1000111R120 W121R120-N127 CarbonylContact C-O 3.55Å; R120-N127 VanDerWaalsContact CA-O 3.25Å; R120-N127 WeakPolarHBondContact CA-O 3.05Å; R120-N127 WeakPolarHBondContact CD-O 3.34Å; W121-N127 HydrophobicContact CD2-CB 3.66Å; W121-N127 HydrophobicContact CE3-CB 4.38Å; W121-N127 HydrophobicContact CG-CB 3.93Å; W121-N127 HydrophobicContact CH2-CB 4.47Å; W121-N127 VanDerWaalsContact CH2-ND2 3.27Å; W121-N127 WeakPolarHBondContact CH2-ND2 3.42Å; W121-N127 HydrophobicContact CZ2-CB 3.76Å; W121-N127 WeakPolarHBondContact CZ2-ND2 3.44Å; W121-N127 WeakPolarHBondContact CZ3-ND2 3.49Å; W121-N127 PolarHBondContact N-O 2.89Å; W121-N127 VanDerWaalsContact NE1-CB 3.3Å; W121-N127 WeakPolarHBondContact O-CB 3.48Å; W121-N127 PolarHBondContact O-N 3.29Å; W121-N127 VanDerWaalsContact O-N 3.1Å
128T87.3Confident86.3Confident80 Ų8061.6 Ų61.649%0.49136%0.357SS..EExtended strand (participates in β ladder)trans-81.1135.8173.353.20000111.8W121W121-T128 PolarHBondContact NE1-O 3.39Å
129C86.9Confident86.2Confident23 Ų2363.8 Ų63.816%0.15535%0.353CS..PPolyproline II helixtrans-75.2132.5169-620000110.6T119 R120 C137T119-C129 VanDerWaalsContact C-SG 3.59Å; T119-C129 PolarHBondContact O-N 3.07Å; R120-C129 PolarHBondContact N-SG 3.11Å; C129-C137 HydrophobicContact CB-CB 3.56Å; C129-C137 WeakPolarHBondContact CB-SG 3.49Å; C129-C137 WeakPolarHBondContact SG-CB 3.4Å; C129-C137 CovalentContact SG-SG 2.03Å; C129-C137 PolarHBondContact SG-SG 2.94Å
130Q85.4Confident86.1Confident136 Ų13665.2 Ų65.264%0.63636%0.361SS*.  trans-101.621.2179.5-63.1-175.8-4.100113
131C86.3Confident85.9Confident31 Ų3166.6 Ų66.621%0.20938%0.375CS..  trans-70.9136.1179.2-46.50000110.5C144C131-C144 WeakPolarHBondContact CA-SG 3.42Å; C131-C144 HydrophobicContact CB-CB 3.86Å; C131-C144 WeakPolarHBondContact CB-SG 3.03Å; C131-C144 VanDerWaalsContact SG-CA 3.51Å; C131-C144 WeakPolarHBondContact SG-CB 3.38Å; C131-C144 CovalentContact SG-SG 2.04Å; C131-C144 PolarHBondContact SG-SG 2.88Å
132S80.4Confident85.6Confident33 Ų3363.9 Ų63.923%0.23137%0.37CS..  trans-63.7162.116374.60000109.8N134 G135 M154 C155S132-N134 PolarHBondContact O-N 2.85Å; S132-G135 PolarHBondContact O-N 2.03Å; S132-M154 WeakPolarHBondContact CB-O 3.29Å; S132-M154 PolarHBondContact N-O 3.21Å; S132-M154 PolarHBondContact OG-O 3.32Å; S132-M154 VanDerWaalsContact OG-O 3.06Å; S132-C155 PolarHBondContact OG-O 2.85Å
133G82.3Confident85.6Confident81 Ų8168.8 Ų68.884%0.83539%0.389SS*.SBendtrans-66.210.6-179.600000116.4
134N83.6Confident85.7Confident52 Ų5264.4 Ų64.428%0.27836%0.361SS..SBendtrans-11235.5175.8-48.2-53.5000110.9S132 D147 W150S132-N134 PolarHBondContact O-N 2.85Å; N134-D147 WeakPolarHBondContact CA-OD2 3.33Å; N134-D147 PolarHBondContact O-N 2.92Å; N134-W150 HydrophobicContact CB-CB 4.17Å; N134-W150 HydrophobicContact CB-CD2 3.61Å; N134-W150 HydrophobicContact CB-CE3 4.23Å; N134-W150 HydrophobicContact CB-CG 3.54Å; N134-W150 VanDerWaalsContact CG-CE2 3.46Å; N134-W150 WeakPolarHBondContact ND2-CH2 3.46Å; N134-W150 VanDerWaalsContact ND2-CZ2 3.33Å; N134-W150 WeakPolarHBondContact ND2-CZ2 3.44Å; N134-W150 WeakPolarHBondContact ND2-CZ3 3.43Å
135G85.6Confident85.8Confident13 Ų1365.6 Ų65.613%0.13437%0.366CS..EExtended strand (participates in β ladder)trans-177.2156.5-179.600000113S132 I145 D147S132-G135 PolarHBondContact O-N 2.03Å; G135-I145 CarbonylContact C-O 3.45Å; G135-I145 WeakPolarHBondContact CA-O 3.43Å; G135-D147 PolarHBondContact N-OD2 2.76Å
136H87.4Confident85.8Confident123 Ų12366.6 Ų66.657%0.56937%0.373SS*.EExtended strand (participates in β ladder)trans-109.5139.9-174.2-67.377.9000110.5I145 D147H136-I145 PolarHBondContact N-O 2.81Å; H136-I145 WeakPolarHBondContact O-CB 3.24Å; H136-I145 PolarHBondContact O-N 3.32Å; H136-D147 IonicContact CE1-OD1 3.78Å; H136-D147 PolarHBondContact CE1-OD1 3.17Å; H136-D147 IonicContact CE1-OD2 2.65Å; H136-D147 IonicContact ND1-OD1 2.69Å; H136-D147 PolarHBondContact ND1-OD1 3.39Å
137C88.5Confident85.8Confident19 Ų1964.8 Ų64.813%0.12837%0.366CS..EExtended strand (participates in β ladder)trans-85.5130.8-178.6-168.30000111.7C129 R139C129-C137 HydrophobicContact CB-CB 3.56Å; C129-C137 WeakPolarHBondContact CB-SG 3.49Å; C129-C137 WeakPolarHBondContact SG-CB 3.4Å; C129-C137 CovalentContact SG-SG 2.03Å; C129-C137 PolarHBondContact SG-SG 2.94Å; C137-R139 PolarHBondContact O-N 3.43Å
138D87.2Confident85.8Confident49 Ų4971 Ų7126%0.26239%0.391SS..  trans-66.3119.9164.2177.5-3.4000109.6V140 T141 G142 K143D138-V140 PolarHBondContact O-N 2.94Å; D138-V140 PolarHBondContact OD1-N 3.43Å; D138-T141 VanDerWaalsContact CG-OG1 3.25Å; D138-T141 PolarHBondContact OD1-N 3.27Å; D138-T141 WeakPolarHBondContact OD2-CB 3.5Å; D138-T141 VanDerWaalsContact OD2-CG2 3.28Å; D138-T141 WeakPolarHBondContact OD2-CG2 3.34Å; D138-T141 PolarHBondContact OD2-OG1 3.01Å; D138-G142 VanDerWaalsContact O-CA 3.26Å; D138-G142 WeakPolarHBondContact O-CA 3.36Å; D138-G142 PolarHBondContact O-N 3.33Å; D138-K143 HydrophobicContact CB-CB 4.48Å; D138-K143 WeakPolarHBondContact CB-O 3.42Å; D138-K143 PolarHBondContact N-O 3.3Å
139R82.2Confident85.8Confident141 Ų14167.9 Ų67.953%0.53237%0.374SS..THydrogen-bonded Turntrans-65.8-25-177.3-59.9178.2-174161.71.7113W121 G122 C137W121-R139 VanDerWaalsContact CA-O 3.31Å; W121-R139 WeakPolarHBondContact CA-O 3.12Å; W121-R139 WeakPolarHBondContact CB-O 3.26Å; G122-R139 PolarHBondContact N-O 2.8Å; C137-R139 PolarHBondContact O-N 3.43Å
140V81.2Confident86Confident117 Ų11770 Ų7071%0.70938%0.379SS*.THydrogen-bonded Turntrans-91.1-53-178.6-1760000110.5D138D138-V140 PolarHBondContact O-N 2.94Å; D138-V140 PolarHBondContact OD1-N 3.43Å
141T84.4Confident86.3Confident79 Ų7966.4 Ų66.449%0.48536%0.359SS..THydrogen-bonded Turntrans-94.5-12.1-17372.30000115.1D138 K143D138-T141 VanDerWaalsContact CG-OG1 3.25Å; D138-T141 PolarHBondContact OD1-N 3.27Å; D138-T141 WeakPolarHBondContact OD2-CB 3.5Å; D138-T141 VanDerWaalsContact OD2-CG2 3.28Å; D138-T141 WeakPolarHBondContact OD2-CG2 3.34Å; D138-T141 PolarHBondContact OD2-OG1 3.01Å; T141-K143 PolarHBondContact O-N 3.06Å; T141-K143 VanDerWaalsContact OG1-CB 3.27Å; T141-K143 WeakPolarHBondContact OG1-CB 3.44Å; T141-K143 PolarHBondContact OG1-N 3.48Å
142G84.3Confident86.4Confident15 Ų1565.7 Ų65.716%0.15536%0.355CS..  trans72.31.2-17400000115.1D138D138-G142 VanDerWaalsContact O-CA 3.26Å; D138-G142 WeakPolarHBondContact O-CA 3.36Å; D138-G142 PolarHBondContact O-N 3.33Å
143K86Confident86.7Confident111 Ų11172.5 Ų72.548%0.48338%0.383SS..  trans-72.1133.6-178.9-174.9-179.9176.9-1760110.8D138 T141D138-K143 HydrophobicContact CB-CB 4.48Å; D138-K143 WeakPolarHBondContact CB-O 3.42Å; D138-K143 PolarHBondContact N-O 3.3Å; T141-K143 PolarHBondContact O-N 3.06Å; T141-K143 VanDerWaalsContact OG1-CB 3.27Å; T141-K143 WeakPolarHBondContact OG1-CB 3.44Å; T141-K143 PolarHBondContact OG1-N 3.48Å
144C87.7Confident86.9Confident12 Ų1272.6 Ų72.68%0.08136%0.362CS..EExtended strand (participates in β ladder)trans-76.4130.4173.3-55.70000111.4C131 Q153C131-C144 WeakPolarHBondContact CA-SG 3.42Å; C131-C144 HydrophobicContact CB-CB 3.86Å; C131-C144 WeakPolarHBondContact CB-SG 3.03Å; C131-C144 VanDerWaalsContact SG-CA 3.51Å; C131-C144 WeakPolarHBondContact SG-CB 3.38Å; C131-C144 CovalentContact SG-SG 2.04Å; C131-C144 PolarHBondContact SG-SG 2.88Å; C144-Q153 WeakPolarHBondContact CB-O 3.31Å; C144-Q153 PolarHBondContact SG-O 2.03Å
145I89.1Confident87.3Confident106 Ų10670.1 Ų70.154%0.54435%0.349SS..EExtended strand (participates in β ladder)trans-103.7108.3172.9-56.4174000106.2G135 H136G135-I145 CarbonylContact C-O 3.45Å; G135-I145 WeakPolarHBondContact CA-O 3.43Å; H136-I145 PolarHBondContact N-O 2.81Å; H136-I145 WeakPolarHBondContact O-CB 3.24Å; H136-I145 PolarHBondContact O-N 3.32Å
146C89.9Confident87.4Confident20 Ų2072.7 Ų72.714%0.13537%0.365CS..EExtended strand (participates in β ladder)trans-79.7144.4-171.3-50.50000112.8W150 S152 C155 P173C146-W150 HydrophobicContact CB-CB 4.23Å; C146-W150 VanDerWaalsContact CB-O 3.26Å; C146-W150 WeakPolarHBondContact CB-O 3.24Å; C146-S152 PolarHBondContact SG-O 3.36Å; C146-C155 WeakPolarHBondContact CA-SG 3.46Å; C146-C155 HydrophobicContact CB-CB 3.64Å; C146-C155 WeakPolarHBondContact CB-SG 3.03Å; C146-C155 PolarHBondContact N-SG 2.89Å; C146-C155 WeakPolarHBondContact SG-CA 2.97Å; C146-C155 WeakPolarHBondContact SG-CB 3.27Å; C146-C155 CovalentContact SG-SG 2.04Å; C146-C155 PolarHBondContact SG-SG 2.79Å; C146-P173 HydrophobicContact CB-CB 3.88Å
147D89Confident87.5Confident60 Ų6072 Ų7232%0.32136%0.361SS..PPolyproline II helixtrans-71.5160.2173.6-58.4-32.4000110.2N134 G135 H136 G149 W150N134-D147 WeakPolarHBondContact CA-OD2 3.33Å; N134-D147 PolarHBondContact O-N 2.92Å; G135-D147 PolarHBondContact N-OD2 2.76Å; H136-D147 IonicContact CE1-OD1 3.78Å; H136-D147 PolarHBondContact CE1-OD1 3.17Å; H136-D147 IonicContact CE1-OD2 2.65Å; H136-D147 IonicContact ND1-OD1 2.69Å; H136-D147 PolarHBondContact ND1-OD1 3.39Å; D147-G149 PolarHBondContact O-N 3.06Å; D147-W150 PolarHBondContact O-N 2.98Å
148K87.9Confident87.6Confident191 Ų19177 Ų7783%0.8338%0.382SS*.THydrogen-bonded Turntrans-56.4130.2-175.1-66.2-173.1179.5-174.50111.3
149G87.6Confident87.8Confident13 Ų1375.4 Ų75.413%0.13437%0.374CS..THydrogen-bonded Turntrans87.95.2-176.100000115D147 Q158 C159D147-G149 PolarHBondContact O-N 3.06Å; G149-Q158 CarbonylContact O-C 3.51Å; G149-Q158 WeakPolarHBondContact O-CA 3.23Å; G149-Q158 WeakPolarHBondContact O-CG 3.19Å; G149-C159 VanDerWaalsContact CA-SG 3.53Å; G149-C159 PolarHBondContact O-N 3.2Å; G149-C159 PolarHBondContact O-SG 3.05Å; G149-C159 VanDerWaalsContact O-SG 3.41Å
150W90.4Very high88.2Confident68 Ų6874.4 Ų74.426%0.25838%0.376SS..EExtended strand (participates in β ladder)trans-125.9151.7176.6-64.588.2000113N134 C146 D147 C155 K157 Q158N134-W150 HydrophobicContact CB-CB 4.17Å; N134-W150 HydrophobicContact CB-CD2 3.61Å; N134-W150 HydrophobicContact CB-CE3 4.23Å; N134-W150 HydrophobicContact CB-CG 3.54Å; N134-W150 VanDerWaalsContact CG-CE2 3.46Å; N134-W150 WeakPolarHBondContact ND2-CH2 3.46Å; N134-W150 VanDerWaalsContact ND2-CZ2 3.33Å; N134-W150 WeakPolarHBondContact ND2-CZ2 3.44Å; N134-W150 WeakPolarHBondContact ND2-CZ3 3.43Å; C146-W150 HydrophobicContact CB-CB 4.23Å; C146-W150 VanDerWaalsContact CB-O 3.26Å; C146-W150 WeakPolarHBondContact CB-O 3.24Å; D147-W150 PolarHBondContact O-N 2.98Å; W150-C155 VanDerWaalsContact CE3-O 3.3Å; W150-K157 CarbonylContact C-O 3.5Å; W150-K157 WeakPolarHBondContact CA-O 3.25Å; W150-Q158 HydrophobicContact CD2-CB 4.48Å; W150-Q158 HydrophobicContact CE3-CB 4.2Å; W150-Q158 HydrophobicContact CH2-CB 4.16Å; W150-Q158 HydrophobicContact CZ2-CB 4.44Å; W150-Q158 HydrophobicContact CZ2-CG 4.38Å; W150-Q158 HydrophobicContact CZ3-CB 4.04Å
151W90.8Very high88.7Confident60 Ų6069.9 Ų69.923%0.22735%0.349CS..EExtended strand (participates in β ladder)trans-151.7179.9-176.871-82.5000113.1C155 S156 K157 Q158 P173 G176W151-C155 CarbonylContact O-C 3.52Å; W151-C155 VanDerWaalsContact O-CA 3.28Å; W151-C155 WeakPolarHBondContact O-CA 3.05Å; W151-S156 PolarHBondContact O-N 2.88Å; W151-K157 HydrophobicContact CD2-CB 3.99Å; W151-K157 HydrophobicContact CD2-CD 4.46Å; W151-K157 HydrophobicContact CG-CB 4.21Å; W151-K157 HydrophobicContact CH2-CD 3.75Å; W151-K157 HydrophobicContact CZ2-CB 4.02Å; W151-K157 HydrophobicContact CZ2-CD 3.58Å; W151-K157 HydrophobicContact CZ2-CG 4.45Å; W151-K157 HydrophobicContact CZ3-CD 4.23Å; W151-K157 PolarHBondContact N-O 3.22Å; W151-K157 PolarHBondContact O-N 3Å; W151-Q158 PolarHBondContact NE1-O 2.91Å; W151-P173 CarbonylContact C-O 3.5Å; W151-P173 WeakPolarHBondContact CA-O 3.43Å; W151-P173 WeakPolarHBondContact CB-O 3.42Å; W151-G176 VanDerWaalsContact CE3-CA 3.45Å
152S89.2Confident89Confident17 Ų1768 Ų6812%0.11934%0.339CS..SBendtrans83.3164.4-170.780.10000114C146 M154 C155 S156 P173C146-S152 PolarHBondContact SG-O 3.36Å; S152-M154 PolarHBondContact O-N 3.05Å; S152-C155 PolarHBondContact O-N 3.25Å; S152-S156 PolarHBondContact OG-N 3.47Å; S152-S156 PolarHBondContact OG-OG 3.5Å; S152-P173 PolarHBondContact N-O 3.16Å
153Q86.8Confident88.9Confident175 Ų17573 Ų7382%0.81837%0.372SS*.THydrogen-bonded Turntrans-55.3-21.2-177-67.5171.7-27.600114.7C144C144-Q153 WeakPolarHBondContact CB-O 3.31Å; C144-Q153 PolarHBondContact SG-O 2.03Å
154M87.3Confident88.8Confident83 Ų8370.2 Ų70.241%0.40937%0.374SS..THydrogen-bonded Turntrans-1178.7178-60.8170.2-177.300112.6S132 S152 S156S132-M154 WeakPolarHBondContact CB-O 3.29Å; S132-M154 PolarHBondContact N-O 3.21Å; S132-M154 PolarHBondContact OG-O 3.32Å; S132-M154 VanDerWaalsContact OG-O 3.06Å; S152-M154 PolarHBondContact O-N 3.05Å; M154-S156 PolarHBondContact O-N 2.96Å; M154-S156 VanDerWaalsContact O-N 3.08Å
155C90.2Very high88.7Confident0 Ų069.6 Ų69.60%037%0.37CS..SBendtrans56.721.3-176.1-50.70000114.9S132 C146 W150 W151 S152 K157S132-C155 PolarHBondContact OG-O 2.85Å; C146-C155 WeakPolarHBondContact CA-SG 3.46Å; C146-C155 HydrophobicContact CB-CB 3.64Å; C146-C155 WeakPolarHBondContact CB-SG 3.03Å; C146-C155 PolarHBondContact N-SG 2.89Å; C146-C155 WeakPolarHBondContact SG-CA 2.97Å; C146-C155 WeakPolarHBondContact SG-CB 3.27Å; C146-C155 CovalentContact SG-SG 2.04Å; C146-C155 PolarHBondContact SG-SG 2.79Å; W150-C155 VanDerWaalsContact CE3-O 3.3Å; W151-C155 CarbonylContact O-C 3.52Å; W151-C155 VanDerWaalsContact O-CA 3.28Å; W151-C155 WeakPolarHBondContact O-CA 3.05Å; S152-C155 PolarHBondContact O-N 3.25Å; C155-K157 PolarHBondContact O-N 3.32Å
156S89.6Confident88.7Confident67 Ų6764.7 Ų64.747%0.46935%0.345SS..  trans-85.3-2-171.658.30000114.8W151 S152 M154W151-S156 PolarHBondContact O-N 2.88Å; S152-S156 PolarHBondContact OG-N 3.47Å; S152-S156 PolarHBondContact OG-OG 3.5Å; M154-S156 PolarHBondContact O-N 2.96Å; M154-S156 VanDerWaalsContact O-N 3.08Å
157K89Confident88.6Confident110 Ų11066.9 Ų66.948%0.47836%0.358SS..EExtended strand (participates in β ladder)trans-117131.9-179.3-63.7-175.9-179.4178.40110.8W150 W151 C155W150-K157 CarbonylContact C-O 3.5Å; W150-K157 WeakPolarHBondContact CA-O 3.25Å; W151-K157 HydrophobicContact CD2-CB 3.99Å; W151-K157 HydrophobicContact CD2-CD 4.46Å; W151-K157 HydrophobicContact CG-CB 4.21Å; W151-K157 HydrophobicContact CH2-CD 3.75Å; W151-K157 HydrophobicContact CZ2-CB 4.02Å; W151-K157 HydrophobicContact CZ2-CD 3.58Å; W151-K157 HydrophobicContact CZ2-CG 4.45Å; W151-K157 HydrophobicContact CZ3-CD 4.23Å; W151-K157 PolarHBondContact N-O 3.22Å; W151-K157 PolarHBondContact O-N 3Å; C155-K157 PolarHBondContact O-N 3.32Å
158Q90.3Very high88.4Confident123 Ų12368.3 Ų68.358%0.57537%0.365SS*.EExtended strand (participates in β ladder)trans-77.1147173.3-160.7178.58.300110.7G149 W150 W151G149-Q158 CarbonylContact O-C 3.51Å; G149-Q158 WeakPolarHBondContact O-CA 3.23Å; G149-Q158 WeakPolarHBondContact O-CG 3.19Å; W150-Q158 HydrophobicContact CD2-CB 4.48Å; W150-Q158 HydrophobicContact CE3-CB 4.2Å; W150-Q158 HydrophobicContact CH2-CB 4.16Å; W150-Q158 HydrophobicContact CZ2-CB 4.44Å; W150-Q158 HydrophobicContact CZ2-CG 4.38Å; W150-Q158 HydrophobicContact CZ3-CB 4.04Å; W151-Q158 PolarHBondContact NE1-O 2.91Å
159C90.7Very high88.2Confident15 Ų1563 Ų6310%0.10135%0.352CS..  trans-62.6134.4169.8-62.80000110.1G149 S169 C171G149-C159 VanDerWaalsContact CA-SG 3.53Å; G149-C159 PolarHBondContact O-N 3.2Å; G149-C159 PolarHBondContact O-SG 3.05Å; G149-C159 VanDerWaalsContact O-SG 3.41Å; C159-S169 VanDerWaalsContact CB-O 3.28Å; C159-S169 WeakPolarHBondContact CB-O 3.19Å; C159-C171 VanDerWaalsContact CA-SG 3.56Å; C159-C171 HydrophobicContact CB-CB 3.71Å; C159-C171 WeakPolarHBondContact CB-SG 3.05Å; C159-C171 WeakPolarHBondContact SG-CB 3.48Å; C159-C171 PolarHBondContact SG-N 3.43Å; C159-C171 CovalentContact SG-SG 2.03Å; C159-C171 PolarHBondContact SG-SG 2.93Å
160Q91.4Very high88.2Confident121 Ų12164.3 Ų64.357%0.56536%0.359SS*.  trans-114.954.8-177.1-65.7-170.9-8.800111.2K188Q160-K188 HydrophobicContact CB-CD 3.99Å; Q160-K188 HydrophobicContact CB-CG 4.41Å; Q160-K188 VanDerWaalsContact O-CB 3.26Å; Q160-K188 WeakPolarHBondContact O-CB 3.06Å; Q160-K188 VanDerWaalsContact O-CG 3.31Å; Q160-K188 WeakPolarHBondContact O-CG 3.11Å
161C90.4Very high88.1Confident22 Ų2261.7 Ų61.715%0.14935%0.351CS..  trans-83.3138.1-173.8-52.50000112.5S163 S166 S169 C178C161-S163 PolarHBondContact O-N 3.14Å; C161-S166 WeakPolarHBondContact CB-OG 3.43Å; C161-S169 PolarHBondContact SG-O 2.03Å; C161-S169 VanDerWaalsContact SG-O 3.37Å; C161-C178 WeakPolarHBondContact CA-SG 3.41Å; C161-C178 HydrophobicContact CB-CB 3.73Å; C161-C178 WeakPolarHBondContact CB-SG 3.31Å; C161-C178 WeakPolarHBondContact SG-CB 3.46Å; C161-C178 CovalentContact SG-SG 2.03Å; C161-C178 PolarHBondContact SG-SG 3.48Å
162S90.6Very high88.1Confident39 Ų3961.8 Ų61.827%0.27336%0.356SS..  trans-73.5112.4178.2179.80000111.2G164 G165 S166 K188 C189S162-G164 PolarHBondContact O-N 2.78Å; S162-G165 PolarHBondContact O-N 3.4Å; S162-S166 PolarHBondContact O-N 3.04Å; S162-S166 PolarHBondContact O-OG 3.43Å; S162-K188 WeakPolarHBondContact CB-O 3.37Å; S162-K188 PolarHBondContact N-O 2.78Å; S162-C189 VanDerWaalsContact CB-O 3.23Å; S162-C189 WeakPolarHBondContact CB-O 3.24Å
163S84.1Confident87.9Confident121 Ų12163.6 Ų63.685%0.84637%0.368SS*.THydrogen-bonded Turntrans-57.5-19.2-173.1-42.10000115.9C161C161-S163 PolarHBondContact O-N 3.14Å
164G83.3Confident87.8Confident51 Ų5159.8 Ų59.853%0.52635%0.353SS..THydrogen-bonded Turntrans-98.8-21.1172.100000114.6S162S162-G164 PolarHBondContact O-N 2.78Å
165G84.5Confident87.8Confident0 Ų059.1 Ų59.10%035%0.353CS..THydrogen-bonded Turntrans-106-16.2-173.700000115.2S162 R181 C189S162-G165 PolarHBondContact O-N 3.4Å; G165-R181 PolarHBondContact O-N 2.81Å; G165-C189 WeakPolarHBondContact O-CB 3.37Å
166S89.8Confident87.7Confident3 Ų359.5 Ų59.52%0.02136%0.357CS..EExtended strand (participates in β ladder)trans-103.8155.1175.368.60000112.8C161 S162 D168 Q179 R181C161-S166 WeakPolarHBondContact CB-OG 3.43Å; S162-S166 PolarHBondContact O-N 3.04Å; S162-S166 PolarHBondContact O-OG 3.43Å; S166-D168 WeakPolarHBondContact CB-O 3.34Å; S166-D168 PolarHBondContact OG-O 3.4Å; S166-Q179 CarbonylContact C-O 3.59Å; S166-Q179 WeakPolarHBondContact CA-O 2.93Å; S166-Q179 VanDerWaalsContact CB-O 3.25Å; S166-Q179 WeakPolarHBondContact CB-O 3.42Å; S166-R181 PolarHBondContact O-NE 3.02Å; S166-R181 PolarHBondContact O-NH2 2.67Å
167V87.4Confident87.7Confident66 Ų6659.1 Ų59.140%0.435%0.346SS..EExtended strand (participates in β ladder)trans-67.1-44.2177.7-179.70000110.7Q179 R181V167-Q179 HydrophobicContact CB-CG 4.48Å; V167-Q179 HydrophobicContact CG2-CG 4.01Å; V167-Q179 PolarHBondContact N-O 2.04Å; V167-R181 HydrophobicContact CG2-CG 4.16Å; V167-R181 PolarHBondContact O-NH2 3.08Å
168D84.8Confident87.8Confident89 Ų8954 Ų5448%0.47632%0.324SS..EExtended strand (participates in β ladder)trans-138.5171176-177.720.7000109.5S166 S170S166-D168 WeakPolarHBondContact CB-O 3.34Å; S166-D168 PolarHBondContact OG-O 3.4Å; D168-S170 VanDerWaalsContact C-N 3.26Å; D168-S170 VanDerWaalsContact OD2-CB 3.32Å; D168-S170 WeakPolarHBondContact OD2-CB 3.01Å
169S84.2Confident87.8Confident80 Ų8054 Ų5456%0.55932%0.324SS*.EExtended strand (participates in β ladder)trans-67.3-18.6166.661.10000114.3C159 C161C159-S169 VanDerWaalsContact CB-O 3.28Å; C159-S169 WeakPolarHBondContact CB-O 3.19Å; C161-S169 PolarHBondContact SG-O 2.03Å; C161-S169 VanDerWaalsContact SG-O 3.37Å
170S87.1Confident87.8Confident40 Ų4053.5 Ų53.528%0.2832%0.32SS..EExtended strand (participates in β ladder)trans-71.6148.7177.7-164.20000112.6D168D168-S170 VanDerWaalsContact C-N 3.26Å; D168-S170 VanDerWaalsContact OD2-CB 3.32Å; D168-S170 WeakPolarHBondContact OD2-CB 3.01Å
171C89.4Confident87.7Confident13 Ų1353.5 Ų53.59%0.08832%0.315CS..EExtended strand (participates in β ladder)trans-133.916717669.90000110.8C159 R177C159-C171 VanDerWaalsContact CA-SG 3.56Å; C159-C171 HydrophobicContact CB-CB 3.71Å; C159-C171 WeakPolarHBondContact CB-SG 3.05Å; C159-C171 WeakPolarHBondContact SG-CB 3.48Å; C159-C171 PolarHBondContact SG-N 3.43Å; C159-C171 CovalentContact SG-SG 2.03Å; C159-C171 PolarHBondContact SG-SG 2.93Å; C171-R177 CarbonylContact C-O 3.56Å; C171-R177 VanDerWaalsContact CA-O 3.3Å; C171-R177 WeakPolarHBondContact CA-O 3.41Å; C171-R177 VanDerWaalsContact CB-O 3.31Å; C171-R177 WeakPolarHBondContact CB-O 3.42Å
172D89.6Confident87.6Confident62 Ų6263.3 Ų63.333%0.33235%0.349SS..  trans-57.8122.1170.9167.90.6000110.1L174 T175 G176 R177D172-L174 PolarHBondContact O-N 2.94Å; D172-L174 VanDerWaalsContact O-N 3.17Å; D172-L174 PolarHBondContact OD1-N 2.91Å; D172-T175 VanDerWaalsContact CG-OG1 3.23Å; D172-T175 PolarHBondContact OD1-N 3.43Å; D172-T175 VanDerWaalsContact OD2-CB 3.31Å; D172-T175 WeakPolarHBondContact OD2-CB 3.03Å; D172-T175 WeakPolarHBondContact OD2-CG2 3.32Å; D172-T175 PolarHBondContact OD2-N 3.08Å; D172-T175 PolarHBondContact OD2-OG1 3.19Å; D172-G176 VanDerWaalsContact O-CA 3.31Å; D172-G176 WeakPolarHBondContact O-CA 3.09Å; D172-G176 PolarHBondContact O-N 3.2Å; D172-R177 PolarHBondContact N-O 3.42Å
173P85.9Confident87.4Confident56 Ų5663 Ų6336%0.36435%0.352SS..THydrogen-bonded Turntrans-65.8-18.6-175.628-36.2000113.5C146 W151 S152C146-P173 HydrophobicContact CB-CB 3.88Å; W151-P173 CarbonylContact C-O 3.5Å; W151-P173 WeakPolarHBondContact CA-O 3.43Å; W151-P173 WeakPolarHBondContact CB-O 3.42Å; S152-P173 PolarHBondContact N-O 3.16Å
174L83.9Confident87.7Confident95 Ų9560.8 Ų60.850%0.49733%0.325SS..THydrogen-bonded Turntrans-91.2-51.2177.6-58.2179.1000111.7D172D172-L174 PolarHBondContact O-N 2.94Å; D172-L174 VanDerWaalsContact O-N 3.17Å; D172-L174 PolarHBondContact OD1-N 2.91Å
175T87.8Confident88.1Confident69 Ų6962.5 Ų62.542%0.42332%0.316SS..THydrogen-bonded Turntrans-92.9-15.1-173.970.30000114.8D172 R177 M187D172-T175 VanDerWaalsContact CG-OG1 3.23Å; D172-T175 PolarHBondContact OD1-N 3.43Å; D172-T175 VanDerWaalsContact OD2-CB 3.31Å; D172-T175 WeakPolarHBondContact OD2-CB 3.03Å; D172-T175 WeakPolarHBondContact OD2-CG2 3.32Å; D172-T175 PolarHBondContact OD2-N 3.08Å; D172-T175 PolarHBondContact OD2-OG1 3.19Å; T175-R177 PolarHBondContact O-N 2.87Å; T175-R177 WeakPolarHBondContact OG1-CB 3.28Å; T175-R177 PolarHBondContact OG1-N 3.32Å; T175-M187 WeakPolarHBondContact O-CE 3.4Å
176G88.1Confident88.3Confident8 Ų863.1 Ų63.18%0.08232%0.323CS..  trans73.412.5-174.600000114.5W151 D172W151-G176 VanDerWaalsContact CE3-CA 3.45Å; D172-G176 VanDerWaalsContact O-CA 3.31Å; D172-G176 WeakPolarHBondContact O-CA 3.09Å; D172-G176 PolarHBondContact O-N 3.2Å
177R89.6Confident88.2Confident59 Ų5967.4 Ų67.422%0.22334%0.344CS..PPolyproline II helixtrans-84.9126.5-174.4-177.2164.6175.2-119.3-12.3112.2C171 D172 T175 M187 E202 R203C171-R177 CarbonylContact C-O 3.56Å; C171-R177 VanDerWaalsContact CA-O 3.3Å; C171-R177 WeakPolarHBondContact CA-O 3.41Å; C171-R177 VanDerWaalsContact CB-O 3.31Å; C171-R177 WeakPolarHBondContact CB-O 3.42Å; D172-R177 PolarHBondContact N-O 3.42Å; T175-R177 PolarHBondContact O-N 2.87Å; T175-R177 WeakPolarHBondContact OG1-CB 3.28Å; T175-R177 PolarHBondContact OG1-N 3.32Å; R177-M187 HydrophobicContact CB-CE 3.72Å; R177-M187 HydrophobicContact CB-SD 3.95Å; R177-M187 HydrophobicContact CG-CE 4.41Å; R177-M187 HydrophobicContact CG-SD 3.99Å; R177-E202 VanDerWaalsContact NH2-CB 3.3Å; R177-E202 PolarHBondContact NH2-O 3.3Å; R177-R203 VanDerWaalsContact NH2-N 3.18Å
178C90.7Very high88.4Confident3 Ų369.2 Ų69.22%0.0235%0.346CS..EExtended strand (participates in β ladder)trans-75.8149174.3-54.60000111.6C161 M187C161-C178 WeakPolarHBondContact CA-SG 3.41Å; C161-C178 HydrophobicContact CB-CB 3.73Å; C161-C178 WeakPolarHBondContact CB-SG 3.31Å; C161-C178 WeakPolarHBondContact SG-CB 3.46Å; C161-C178 CovalentContact SG-SG 2.03Å; C161-C178 PolarHBondContact SG-SG 3.48Å; C178-M187 PolarHBondContact N-O 3.23Å; C178-M187 PolarHBondContact SG-O 3.44Å
179Q91.2Very high88.7Confident123 Ų12365 Ų6558%0.57532%0.323SS*.EExtended strand (participates in β ladder)trans-81.9124.6169.2-175.5178.112.600109.6S166 V167S166-Q179 CarbonylContact C-O 3.59Å; S166-Q179 WeakPolarHBondContact CA-O 2.93Å; S166-Q179 VanDerWaalsContact CB-O 3.25Å; S166-Q179 WeakPolarHBondContact CB-O 3.42Å; V167-Q179 HydrophobicContact CB-CG 4.48Å; V167-Q179 HydrophobicContact CG2-CG 4.01Å; V167-Q179 PolarHBondContact N-O 2.04Å
180C90.4Very high89Confident4 Ų471.5 Ų71.53%0.02734%0.336CS..EExtended strand (participates in β ladder)trans-90.9158.6-173.5-56.60000112.2Y184 C189 E202C180-Y184 VanDerWaalsContact CB-O 3.26Å; C180-Y184 WeakPolarHBondContact CB-O 3.11Å; C180-C189 WeakPolarHBondContact CA-SG 3.48Å; C180-C189 HydrophobicContact CB-CB 3.77Å; C180-C189 WeakPolarHBondContact CB-SG 3.46Å; C180-C189 PolarHBondContact N-SG 3.02Å; C180-C189 VanDerWaalsContact SG-CA 3.58Å; C180-C189 WeakPolarHBondContact SG-CB 3.29Å; C180-C189 CovalentContact SG-SG 2.04Å; C180-C189 PolarHBondContact SG-SG 3.16Å; C180-E202 HydrophobicContact CB-CB 4.15Å; C180-E202 HydrophobicContact CB-CG 3.94Å; C180-E202 PolarHBondContact N-OE2 2.84Å
181R88.8Confident89.1Confident121 Ų12171.4 Ų71.446%0.45734%0.338SS..PPolyproline II helixtrans-83.6154.1165.4-64.5-179.8-175.7-95-8.9108.5G165 S166 V167 G183 Y184G165-R181 PolarHBondContact O-N 2.81Å; S166-R181 PolarHBondContact O-NE 3.02Å; S166-R181 PolarHBondContact O-NH2 2.67Å; V167-R181 HydrophobicContact CG2-CG 4.16Å; V167-R181 PolarHBondContact O-NH2 3.08Å; R181-G183 PolarHBondContact O-N 2.69Å; R181-Y184 HydrophobicContact CB-CD2 4.27Å; R181-Y184 PolarHBondContact O-N 3.13Å
182R87.8Confident89.2Confident228 Ų22875.2 Ų75.286%0.8636%0.361SS*.THydrogen-bonded Turntrans-49.5132.3173.3-69.4-176176.1-174.4-3.1110
183G86.6Confident89.1Confident32 Ų3273.5 Ų73.533%0.3335%0.353SS..THydrogen-bonded Turntrans85.73.8-175.300000115.5R181 T192 C193R181-G183 PolarHBondContact O-N 2.69Å; G183-T192 CarbonylContact O-C 3.52Å; G183-T192 VanDerWaalsContact O-CA 3.29Å; G183-T192 WeakPolarHBondContact O-CA 3.26Å; G183-C193 PolarHBondContact O-N 2.83Å
184Y90.8Very high89.3Confident75 Ų7577 Ų7729%0.29437%0.368SS..EExtended strand (participates in β ladder)trans-125148.8173.3-68.8-93.3000112C180 R181 A191 T192C180-Y184 VanDerWaalsContact CB-O 3.26Å; C180-Y184 WeakPolarHBondContact CB-O 3.11Å; R181-Y184 HydrophobicContact CB-CD2 4.27Å; R181-Y184 PolarHBondContact O-N 3.13Å; Y184-A191 CarbonylContact C-O 3.49Å; Y184-A191 WeakPolarHBondContact CA-O 3.48Å; Y184-T192 HydrophobicContact CD1-CG2 3.94Å; Y184-T192 HydrophobicContact CE1-CG2 3.52Å
185W91.4Very high89.5Confident86 Ų8672.7 Ų72.733%0.32635%0.347SS..EExtended strand (participates in β ladder)trans-147.3172-177.271.2-82.3000114.7C189 A191 T192 E202 T204 G205W185-C189 WeakPolarHBondContact O-CA 3.47Å; W185-A191 HydrophobicContact CD2-CB 4.06Å; W185-A191 HydrophobicContact CG-CB 4.24Å; W185-A191 HydrophobicContact CZ2-CB 3.99Å; W185-A191 PolarHBondContact N-O 3.03Å; W185-A191 VanDerWaalsContact NE1-CB 3.35Å; W185-T192 PolarHBondContact NE1-O 3.26Å; W185-T192 VanDerWaalsContact NE1-O 3.14Å; W185-E202 WeakPolarHBondContact CA-O 3.21Å; W185-T204 WeakPolarHBondContact CZ3-O 3.23Å; W185-G205 VanDerWaalsContact CG-CA 3.44Å
186G90.1Very high89.4Confident14 Ų1473.8 Ų73.814%0.14435%0.35CS..THydrogen-bonded Turntrans84.2169.1177.700000113.1K188 C189 E202G186-K188 PolarHBondContact O-N 2.04Å; G186-C189 PolarHBondContact O-N 3.08Å; G186-E202 PolarHBondContact N-O 2.86Å
187M87.1Confident89Confident93 Ų9382.3 Ų82.346%0.45839%0.388SS..THydrogen-bonded Turntrans-51.5-28.5-168.7-66-63.1-70.600115.8T175 R177 C178T175-M187 WeakPolarHBondContact O-CE 3.4Å; R177-M187 HydrophobicContact CB-CE 3.72Å; R177-M187 HydrophobicContact CB-SD 3.95Å; R177-M187 HydrophobicContact CG-CE 4.41Å; R177-M187 HydrophobicContact CG-SD 3.99Å; C178-M187 PolarHBondContact N-O 3.23Å; C178-M187 PolarHBondContact SG-O 3.44Å
188K90.4Very high88.7Confident103 Ų10380.2 Ų80.245%0.44838%0.382SS..THydrogen-bonded Turntrans-113.3-0.2-176.7-58.4-172-169.3-175.50113.9Q160 S162 G186 R190Q160-K188 HydrophobicContact CB-CD 3.99Å; Q160-K188 HydrophobicContact CB-CG 4.41Å; Q160-K188 VanDerWaalsContact O-CB 3.26Å; Q160-K188 WeakPolarHBondContact O-CB 3.06Å; Q160-K188 VanDerWaalsContact O-CG 3.31Å; Q160-K188 WeakPolarHBondContact O-CG 3.11Å; S162-K188 WeakPolarHBondContact CB-O 3.37Å; S162-K188 PolarHBondContact N-O 2.78Å; G186-K188 PolarHBondContact O-N 2.04Å; K188-R190 VanDerWaalsContact C-N 3.27Å; K188-R190 PolarHBondContact O-N 3.42Å
189C92.2Very high88.6Confident0 Ų083 Ų830%040%0.399CS..THydrogen-bonded Turntrans53.239.9-173.7-460000113.8S162 G165 C180 W185 G186S162-C189 VanDerWaalsContact CB-O 3.23Å; S162-C189 WeakPolarHBondContact CB-O 3.24Å; G165-C189 WeakPolarHBondContact O-CB 3.37Å; C180-C189 WeakPolarHBondContact CA-SG 3.48Å; C180-C189 HydrophobicContact CB-CB 3.77Å; C180-C189 WeakPolarHBondContact CB-SG 3.46Å; C180-C189 PolarHBondContact N-SG 3.02Å; C180-C189 VanDerWaalsContact SG-CA 3.58Å; C180-C189 WeakPolarHBondContact SG-CB 3.29Å; C180-C189 CovalentContact SG-SG 2.04Å; C180-C189 PolarHBondContact SG-SG 3.16Å; W185-C189 WeakPolarHBondContact O-CA 3.47Å; G186-C189 PolarHBondContact O-N 3.08Å
190R90.6Very high88.5Confident217 Ų21777.8 Ų77.882%0.81938%0.376SS*.  trans-94.9-28.6179.7-174176.4-179.5-165.60.3112.9K188K188-R190 VanDerWaalsContact C-N 3.27Å; K188-R190 PolarHBondContact O-N 3.42Å
191A89.9Confident88.5Confident39 Ų3980.2 Ų80.232%0.32239%0.388SS..EExtended strand (participates in β ladder)trans-84.1135177.800000109.6Y184 W185Y184-A191 CarbonylContact C-O 3.49Å; Y184-A191 WeakPolarHBondContact CA-O 3.48Å; W185-A191 HydrophobicContact CD2-CB 4.06Å; W185-A191 HydrophobicContact CG-CB 4.24Å; W185-A191 HydrophobicContact CZ2-CB 3.99Å; W185-A191 PolarHBondContact N-O 3.03Å; W185-A191 VanDerWaalsContact NE1-CB 3.35Å
192T89.9Confident88.4Confident93 Ų9377.7 Ų77.757%0.57138%0.382SS*.EExtended strand (participates in β ladder)trans-83.8153.4168.844.60000110.5G183 Y184 W185G183-T192 CarbonylContact O-C 3.52Å; G183-T192 VanDerWaalsContact O-CA 3.29Å; G183-T192 WeakPolarHBondContact O-CA 3.26Å; Y184-T192 HydrophobicContact CD1-CG2 3.94Å; Y184-T192 HydrophobicContact CE1-CG2 3.52Å; W185-T192 PolarHBondContact NE1-O 3.26Å; W185-T192 VanDerWaalsContact NE1-O 3.14Å
193C88.8Confident88.3Confident26 Ų2674.9 Ų74.918%0.17637%0.371CS..PPolyproline II helixtrans-89.2144171.9-58.30000110.4G183 C200G183-C193 PolarHBondContact O-N 2.83Å; C193-C200 HydrophobicContact CB-CB 3.43Å; C193-C200 VanDerWaalsContact CB-CB 3.43Å; C193-C200 WeakPolarHBondContact CB-SG 3.45Å; C193-C200 WeakPolarHBondContact SG-CB 3.45Å; C193-C200 CovalentContact SG-SG 2.02Å; C193-C200 PolarHBondContact SG-SG 3.4Å
194N88.4Confident88.3Confident128 Ų12876.8 Ų76.868%0.68438%0.377SS*.  trans-118.772.5177.6-173.141.9000110S217N194-S217 WeakPolarHBondContact O-CA 3.49Å; N194-S217 VanDerWaalsContact O-CB 3.29Å; N194-S217 WeakPolarHBondContact O-CB 3.49Å
195C88.3Confident88.1Confident6 Ų674 Ų744%0.04137%0.371CS..SBendtrans-118.524.9-166.3-57.60000113.6Q197 S198 C207 S217C195-Q197 PolarHBondContact O-N 3.1Å; C195-S198 WeakPolarHBondContact CB-O 3.49Å; C195-S198 WeakPolarHBondContact O-CA 3.36Å; C195-S198 WeakPolarHBondContact O-CB 3.27Å; C195-S198 PolarHBondContact O-N 3.31Å; C195-C207 WeakPolarHBondContact CA-SG 3.31Å; C195-C207 HydrophobicContact CB-CB 3.58Å; C195-C207 WeakPolarHBondContact CB-SG 3.34Å; C195-C207 WeakPolarHBondContact SG-CA 3.3Å; C195-C207 WeakPolarHBondContact SG-CB 3.31Å; C195-C207 CovalentContact SG-SG 2.03Å; C195-C207 PolarHBondContact SG-SG 3.41Å; C195-S217 CarbonylContact C-O 3.06Å; C195-S217 VanDerWaalsContact CA-O 3.29Å; C195-S217 WeakPolarHBondContact CA-O 3.24Å
196N85.5Confident88Confident91 Ų9174.4 Ų74.449%0.48738%0.383SS..THydrogen-bonded Turntrans45.359.3177.8-169.829.3000113.2S198 S217 C218N196-S198 PolarHBondContact O-N 3.02Å; N196-S217 WeakPolarHBondContact CB-O 3.25Å; N196-S217 PolarHBondContact N-O 2.03Å; N196-C218 WeakPolarHBondContact CB-O 3.02Å; N196-C218 PolarHBondContact ND2-O 2.85Å
197Q81.4Confident88Confident188 Ų18874.7 Ų74.788%0.87938%0.382SS*.THydrogen-bonded Turntrans69.6-22.4-174.4-53.5172.581.800116.4C195C195-Q197 PolarHBondContact O-N 3.1Å
198S82.7Confident88.1Confident14 Ų1474.5 Ų74.510%0.09838%0.38CS..SBendtrans-62.8159.9174.8-59.10000112.5C195 N196 E210C195-S198 WeakPolarHBondContact CB-O 3.49Å; C195-S198 WeakPolarHBondContact O-CA 3.36Å; C195-S198 WeakPolarHBondContact O-CB 3.27Å; C195-S198 PolarHBondContact O-N 3.31Å; N196-S198 PolarHBondContact O-N 3.02Å; S198-E210 PolarHBondContact OG-N 2.82Å
199T88.6Confident88Confident61 Ų6170.9 Ų70.937%0.37437%0.367SS..EExtended strand (participates in β ladder)trans-67165.9174.232.70000113.2E208T199-E208 PolarHBondContact O-N 2.69Å; T199-E208 PolarHBondContact OG1-O 2.85Å
200C89.7Confident87.8Confident14 Ų1476.7 Ų76.710%0.09539%0.394CS..EExtended strand (participates in β ladder)trans-141.8151.4177.563.70000111.2C193 E202 V206C193-C200 HydrophobicContact CB-CB 3.43Å; C193-C200 VanDerWaalsContact CB-CB 3.43Å; C193-C200 WeakPolarHBondContact CB-SG 3.45Å; C193-C200 WeakPolarHBondContact SG-CB 3.45Å; C193-C200 CovalentContact SG-SG 2.02Å; C193-C200 PolarHBondContact SG-SG 3.4Å; C200-E202 PolarHBondContact O-N 3.34Å; C200-V206 WeakPolarHBondContact CA-O 3.27Å
201N89.1Confident87.5Confident55 Ų5571 Ų7129%0.29439%0.394SS..  trans-73.3114.4178.1-161.9-83.6000111.1R203 T204 G205 V206 E208N201-R203 PolarHBondContact O-N 3.47Å; N201-R203 WeakPolarHBondContact OD1-CB 3.16Å; N201-R203 PolarHBondContact OD1-N 2.92Å; N201-R203 VanDerWaalsContact OD1-N 3.16Å; N201-T204 WeakPolarHBondContact CB-OG1 3.05Å; N201-T204 PolarHBondContact O-N 3.29Å; N201-G205 PolarHBondContact O-N 2.04Å; N201-V206 PolarHBondContact N-O 2.8Å; N201-E208 VanDerWaalsContact CB-OE1 3.29Å; N201-E208 WeakPolarHBondContact CB-OE1 3Å; N201-E208 PolarHBondContact ND2-OE1 3.42Å
202E87.1Confident87.3Confident68 Ų6869.5 Ų69.532%0.31838%0.382SS..THydrogen-bonded Turntrans-56.1-16.9-178.9-63.2-176.5-151.100114.3R177 C180 W185 G186 C200R177-E202 VanDerWaalsContact NH2-CB 3.3Å; R177-E202 PolarHBondContact NH2-O 3.3Å; C180-E202 HydrophobicContact CB-CB 4.15Å; C180-E202 HydrophobicContact CB-CG 3.94Å; C180-E202 PolarHBondContact N-OE2 2.84Å; W185-E202 WeakPolarHBondContact CA-O 3.21Å; G186-E202 PolarHBondContact N-O 2.86Å; C200-E202 PolarHBondContact O-N 3.34Å
203R85.4Confident87.3Confident170 Ų17065.8 Ų65.864%0.64236%0.36SS*.THydrogen-bonded Turntrans-91.2-49.7-179.8-175-177.7169.21010.6112R177 N201R177-R203 VanDerWaalsContact NH2-N 3.18Å; N201-R203 PolarHBondContact O-N 3.47Å; N201-R203 WeakPolarHBondContact OD1-CB 3.16Å; N201-R203 PolarHBondContact OD1-N 2.92Å; N201-R203 VanDerWaalsContact OD1-N 3.16Å
204T87.2Confident87.4Confident72 Ų7267.5 Ų67.544%0.44236%0.363SS..THydrogen-bonded Turntrans-105.5-15.2-168.356.80000114W185 N201 V206W185-T204 WeakPolarHBondContact CZ3-O 3.23Å; N201-T204 WeakPolarHBondContact CB-OG1 3.05Å; N201-T204 PolarHBondContact O-N 3.29Å; T204-V206 PolarHBondContact O-N 2.87Å; T204-V206 PolarHBondContact OG1-N 2.94Å
205G86.7Confident87.5Confident17 Ų1761.7 Ų61.718%0.17533%0.333CS..  trans74.6-0.9-17400000114.6W185 N201W185-G205 VanDerWaalsContact CG-CA 3.44Å; N201-G205 PolarHBondContact O-N 2.04Å
206V89.3Confident87.4Confident94 Ų9466.7 Ų66.757%0.5737%0.365SS*.  trans-64.9135.1175.6177.50000109.3C200 N201 T204C200-V206 WeakPolarHBondContact CA-O 3.27Å; N201-V206 PolarHBondContact N-O 2.8Å; T204-V206 PolarHBondContact O-N 2.87Å; T204-V206 PolarHBondContact OG1-N 2.94Å
207C89.4Confident87.6Confident19 Ų1964 Ų6413%0.12835%0.354CS..EExtended strand (participates in β ladder)trans-75.5140.7179.5-58.80000111.9C195 P216 C218C195-C207 WeakPolarHBondContact CA-SG 3.31Å; C195-C207 HydrophobicContact CB-CB 3.58Å; C195-C207 WeakPolarHBondContact CB-SG 3.34Å; C195-C207 WeakPolarHBondContact SG-CA 3.3Å; C195-C207 WeakPolarHBondContact SG-CB 3.31Å; C195-C207 CovalentContact SG-SG 2.03Å; C195-C207 PolarHBondContact SG-SG 3.41Å; C207-P216 PolarHBondContact SG-O 3.31Å; C207-C218 WeakPolarHBondContact CB-SG 3.43Å
208E89.8Confident88Confident89 Ų8955.1 Ų55.142%0.41631%0.313SS..EExtended strand (participates in β ladder)trans-112.487.9178.7-68.4172.1-176.900106.4T199 N201T199-E208 PolarHBondContact O-N 2.69Å; T199-E208 PolarHBondContact OG1-O 2.85Å; N201-E208 VanDerWaalsContact CB-OE1 3.29Å; N201-E208 WeakPolarHBondContact CB-OE1 3Å; N201-E208 PolarHBondContact ND2-OE1 3.42Å
209C88.9Confident88.4Confident27 Ų2758.2 Ų58.218%0.18233%0.328CS..PPolyproline II helixtrans-69.8141.7-165.3-59.40000114.2S213 C218 P233C209-S213 WeakPolarHBondContact CB-O 3.38Å; C209-S213 WeakPolarHBondContact CB-OG 3.13Å; C209-C218 WeakPolarHBondContact CA-SG 3.36Å; C209-C218 HydrophobicContact CB-CB 3.77Å; C209-C218 WeakPolarHBondContact CB-SG 3.25Å; C209-C218 VanDerWaalsContact SG-CA 3.53Å; C209-C218 WeakPolarHBondContact SG-CB 3.05Å; C209-C218 CovalentContact SG-SG 2.04Å; C209-C218 PolarHBondContact SG-SG 3.38Å; C209-P233 HydrophobicContact CB-CB 4Å
210E87.3Confident88.4Confident122 Ų12259.4 Ų59.457%0.5733%0.328SS*.PPolyproline II helixtrans-70.3155.3174.2-66.8-171.9168.400112.1S198 G212 S213S198-E210 PolarHBondContact OG-N 2.82Å; E210-G212 PolarHBondContact O-N 2.78Å; E210-S213 PolarHBondContact N-OG 2.84Å; E210-S213 PolarHBondContact O-N 2.82Å; E210-S213 PolarHBondContact O-OG 3.23Å
211A84Confident88.4Confident98 Ų9865 Ų6581%0.8136%0.357SS*.THydrogen-bonded Turntrans-56.8121-171.400000112.5
212G85.4Confident88.4Confident7 Ų763.2 Ų63.27%0.07235%0.349CS..THydrogen-bonded Turntrans89.96.2-175.600000115E210 N221 C222E210-G212 PolarHBondContact O-N 2.78Å; G212-N221 CarbonylContact O-C 3.42Å; G212-N221 VanDerWaalsContact O-CA 3.31Å; G212-N221 WeakPolarHBondContact O-CA 3.03Å; G212-C222 PolarHBondContact O-N 3.34Å; G212-C222 PolarHBondContact O-SG 2.91Å
213S90.4Very high88.6Confident15 Ų1569.4 Ų69.411%0.10538%0.375CS..EExtended strand (participates in β ladder)trans-115.3150.6167.369.50000111.9C209 E210 K220C209-S213 WeakPolarHBondContact CB-O 3.38Å; C209-S213 WeakPolarHBondContact CB-OG 3.13Å; E210-S213 PolarHBondContact N-OG 2.84Å; E210-S213 PolarHBondContact O-N 2.82Å; E210-S213 PolarHBondContact O-OG 3.23Å; S213-K220 CarbonylContact C-O 3.56Å; S213-K220 VanDerWaalsContact CA-O 3.25Å; S213-K220 WeakPolarHBondContact CA-O 3.29Å
214W91.2Very high88.8Confident63 Ų6362.3 Ų62.324%0.23935%0.351CS..EExtended strand (participates in β ladder)trans-151.6172.2-17672-78.9000112.5K220 N221 P233 S235W214-K220 HydrophobicContact CD2-CB 4.02Å; W214-K220 HydrophobicContact CD2-CD 4.18Å; W214-K220 HydrophobicContact CE3-CD 4.28Å; W214-K220 HydrophobicContact CG-CB 4.15Å; W214-K220 HydrophobicContact CH2-CD 3.73Å; W214-K220 HydrophobicContact CZ2-CB 4.08Å; W214-K220 HydrophobicContact CZ2-CD 3.57Å; W214-K220 HydrophobicContact CZ2-CG 4.45Å; W214-K220 HydrophobicContact CZ3-CD 4.08Å; W214-K220 PolarHBondContact N-O 2.94Å; W214-K220 VanDerWaalsContact NE1-CB 3.34Å; W214-K220 PolarHBondContact O-N 3.03Å; W214-N221 PolarHBondContact NE1-O 3.02Å; W214-N221 VanDerWaalsContact NE1-O 3.11Å; W214-P233 WeakPolarHBondContact CA-O 3.49Å; W214-P233 WeakPolarHBondContact CB-O 3.4Å; W214-S235 WeakPolarHBondContact CZ3-O 3.34Å
215G89.3Confident88.9Confident6 Ų661.6 Ų61.66%0.06234%0.344CS..SBendtrans94.1167-178.200000112.7S217 C218 P233G215-S217 PolarHBondContact O-N 3.5Å; G215-C218 PolarHBondContact O-N 2.8Å; G215-C218 VanDerWaalsContact O-N 3.08Å; G215-P233 PolarHBondContact N-O 3.08Å
216P87.6Confident88.8Confident110 Ų11064.9 Ų64.971%0.71436%0.357SS*.THydrogen-bonded Turntrans-65.5-15.3-170.628-36.2000114.2C207C207-P216 PolarHBondContact SG-O 3.31Å
217S88.3Confident88.8Confident36 Ų3663.8 Ų63.825%0.25235%0.354SS..THydrogen-bonded Turntrans-119.78.5177.6-450000112.9N194 C195 N196 G215 D219N194-S217 WeakPolarHBondContact O-CA 3.49Å; N194-S217 VanDerWaalsContact O-CB 3.29Å; N194-S217 WeakPolarHBondContact O-CB 3.49Å; C195-S217 CarbonylContact C-O 3.06Å; C195-S217 VanDerWaalsContact CA-O 3.29Å; C195-S217 WeakPolarHBondContact CA-O 3.24Å; N196-S217 WeakPolarHBondContact CB-O 3.25Å; N196-S217 PolarHBondContact N-O 2.03Å; G215-S217 PolarHBondContact O-N 3.5Å; S217-D219 PolarHBondContact N-OD1 3.17Å; S217-D219 PolarHBondContact O-N 2.57Å
218C90.9Very high88.8Confident1 Ų165.7 Ų65.71%0.00736%0.361CS..SBendtrans51.533.5-170-43.80000113.1N196 C207 C209 G215N196-C218 WeakPolarHBondContact CB-O 3.02Å; N196-C218 PolarHBondContact ND2-O 2.85Å; C207-C218 WeakPolarHBondContact CB-SG 3.43Å; C209-C218 WeakPolarHBondContact CA-SG 3.36Å; C209-C218 HydrophobicContact CB-CB 3.77Å; C209-C218 WeakPolarHBondContact CB-SG 3.25Å; C209-C218 VanDerWaalsContact SG-CA 3.53Å; C209-C218 WeakPolarHBondContact SG-CB 3.05Å; C209-C218 CovalentContact SG-SG 2.04Å; C209-C218 PolarHBondContact SG-SG 3.38Å; G215-C218 PolarHBondContact O-N 2.8Å; G215-C218 VanDerWaalsContact O-N 3.08Å
219D90Very high88.8Confident79 Ų7961.6 Ų61.642%0.42234%0.342SS..  trans-83.8-8.7-174.155.4-65.1000113.7S217S217-D219 PolarHBondContact N-OD1 3.17Å; S217-D219 PolarHBondContact O-N 2.57Å
220K89.3Confident88.9Confident85 Ų8563.1 Ų63.137%0.3735%0.353SS..EExtended strand (participates in β ladder)trans-123.7137.4-172.1-54.5174.1-169.2172.30110.6S213 W214S213-K220 CarbonylContact C-O 3.56Å; S213-K220 VanDerWaalsContact CA-O 3.25Å; S213-K220 WeakPolarHBondContact CA-O 3.29Å; W214-K220 HydrophobicContact CD2-CB 4.02Å; W214-K220 HydrophobicContact CD2-CD 4.18Å; W214-K220 HydrophobicContact CE3-CD 4.28Å; W214-K220 HydrophobicContact CG-CB 4.15Å; W214-K220 HydrophobicContact CH2-CD 3.73Å; W214-K220 HydrophobicContact CZ2-CB 4.08Å; W214-K220 HydrophobicContact CZ2-CD 3.57Å; W214-K220 HydrophobicContact CZ2-CG 4.45Å; W214-K220 HydrophobicContact CZ3-CD 4.08Å; W214-K220 PolarHBondContact N-O 2.94Å; W214-K220 VanDerWaalsContact NE1-CB 3.34Å; W214-K220 PolarHBondContact O-N 3.03Å
221N90Very high89.1Confident131 Ų13158.3 Ų58.370%0.70133%0.332SS*.EExtended strand (participates in β ladder)trans-89.2150.2171.8-65.685.5000111.6G212 W214G212-N221 CarbonylContact O-C 3.42Å; G212-N221 VanDerWaalsContact O-CA 3.31Å; G212-N221 WeakPolarHBondContact O-CA 3.03Å; W214-N221 PolarHBondContact NE1-O 3.02Å; W214-N221 VanDerWaalsContact NE1-O 3.11Å
222C90.1Very high89.4Confident19 Ų1955.8 Ų55.813%0.12831%0.306CS..  trans-88.9146176.9-43.70000111G212 C224 C231G212-C222 PolarHBondContact O-N 3.34Å; G212-C222 PolarHBondContact O-SG 2.91Å; C222-C224 HydrophobicContact CB-CB 4.44Å; C222-C224 WeakPolarHBondContact CB-SG 3.15Å; C222-C224 PolarHBondContact O-N 2.81Å; C222-C231 HydrophobicContact CB-CB 3.67Å; C222-C231 WeakPolarHBondContact CB-SG 3.33Å; C222-C231 WeakPolarHBondContact SG-CB 3.02Å; C222-C231 CovalentContact SG-SG 2.02Å; C222-C231 PolarHBondContact SG-SG 3.09Å
223K89.8Confident89.4Confident198 Ų19858.5 Ų58.586%0.86132%0.322SS*.  trans-92.449.2178.7-64.5-173.4178-176.70111.8S248K223-S248 WeakPolarHBondContact O-CB 3.4Å
224C89.6Confident89.2Confident20 Ų2061.6 Ų61.614%0.13535%0.348CS..SBendtrans-115146.8-171.1-46.70000111.4C222 L226 S229 C238C222-C224 HydrophobicContact CB-CB 4.44Å; C222-C224 WeakPolarHBondContact CB-SG 3.15Å; C222-C224 PolarHBondContact O-N 2.81Å; C224-L226 HydrophobicContact CB-CD2 4.16Å; C224-L226 PolarHBondContact O-N 3.18Å; C224-S229 WeakPolarHBondContact CB-OG 3.45Å; C224-C238 WeakPolarHBondContact CA-SG 3.36Å; C224-C238 HydrophobicContact CB-CB 3.75Å; C224-C238 WeakPolarHBondContact CB-SG 3.26Å; C224-C238 WeakPolarHBondContact SG-CA 3.48Å; C224-C238 WeakPolarHBondContact SG-CB 3.33Å; C224-C238 CovalentContact SG-SG 2.03Å; C224-C238 PolarHBondContact SG-SG 2.03Å
225D89.6Confident89.1Confident57 Ų5760.9 Ų60.931%0.30535%0.353SS..  trans-76.6102161.7-172.8-22000109.2S227 H228 S229 S248D225-S227 PolarHBondContact O-N 3.14Å; D225-S227 WeakPolarHBondContact OD1-CB 3.2Å; D225-S227 PolarHBondContact OD1-N 3.33Å; D225-S227 PolarHBondContact OD1-OG 3.23Å; D225-H228 CarbonylContact O-C 3.54Å; D225-H228 PolarHBondContact O-N 2.04Å; D225-H228 VanDerWaalsContact O-N 3.11Å; D225-H228 IonicContact OD2-CD2 3.3Å; D225-S229 PolarHBondContact O-N 3.36Å; D225-S229 PolarHBondContact O-OG 3.38Å; D225-S248 PolarHBondContact N-O 3.36Å
226L85.9Confident89.1Confident86 Ų8661.3 Ų61.345%0.4536%0.357SS..THydrogen-bonded Turntrans-71.3-8.6-175.7-57.9175.4000113.6C224 H228C224-L226 HydrophobicContact CB-CD2 4.16Å; C224-L226 PolarHBondContact O-N 3.18Å; L226-H228 VanDerWaalsContact C-N 3.34Å
227S88.8Confident89.2Confident72 Ų7262.4 Ų62.450%0.50335%0.352SS..THydrogen-bonded Turntrans-76.4-26.5170.373.60000112D225D225-S227 PolarHBondContact O-N 3.14Å; D225-S227 WeakPolarHBondContact OD1-CB 3.2Å; D225-S227 PolarHBondContact OD1-N 3.33Å; D225-S227 PolarHBondContact OD1-OG 3.23Å
228H88Confident89.3Confident58 Ų5861.9 Ų61.927%0.26935%0.349SS..SBendtrans-126.812.4-171.9-61.1-28.3000113D225 L226 H241 Y244D225-H228 CarbonylContact O-C 3.54Å; D225-H228 PolarHBondContact O-N 2.04Å; D225-H228 VanDerWaalsContact O-N 3.11Å; D225-H228 IonicContact OD2-CD2 3.3Å; L226-H228 VanDerWaalsContact C-N 3.34Å; H228-H241 WeakPolarHBondContact O-CB 2.99Å; H228-H241 PolarHBondContact O-N 3.28Å; H228-Y244 HydrophobicContact CB-CD1 3.76Å; H228-Y244 HydrophobicContact CB-CD2 4.14Å; H228-Y244 HydrophobicContact CB-CE1 3.86Å; H228-Y244 HydrophobicContact CB-CE2 4.26Å; H228-Y244 HydrophobicContact CB-CG 3.89Å; H228-Y244 AromaticContact CD2-CD1 3.86Å; H228-Y244 AromaticContact CD2-CE1 3.13Å; H228-Y244 WeakPolarHBondContact CD2-CE1 3.3Å; H228-Y244 AromaticContact CD2-CZ 3.45Å; H228-Y244 VanDerWaalsContact CD2-CZ 3.45Å; H228-Y244 AromaticContact CE1-CZ 3.67Å; H228-Y244 PolarHBondContact CE1-OH 2.98Å; H228-Y244 AromaticContact CG-CD1 3.89Å; H228-Y244 AromaticContact CG-CE1 3.43Å; H228-Y244 VanDerWaalsContact CG-CE1 3.43Å; H228-Y244 AromaticContact CG-CE2 3.96Å; H228-Y244 AromaticContact CG-CZ 3.46Å; H228-Y244 VanDerWaalsContact CG-CZ 3.46Å; H228-Y244 AromaticContact ND1-CE2 3.98Å; H228-Y244 AromaticContact ND1-CZ 3.61Å; H228-Y244 AromaticContact NE2-CE1 3.62Å; H228-Y244 AromaticContact NE2-CZ 3.54Å; H228-Y244 PolarHBondContact NE2-OH 2.03Å
229S91.3Very high89.3Confident4 Ų466.4 Ų66.43%0.02837%0.372CS..EExtended strand (participates in β ladder)trans-157.5159.6173.962.80000113.4C224 D225 L239 C249C224-S229 WeakPolarHBondContact CB-OG 3.45Å; D225-S229 PolarHBondContact O-N 3.36Å; D225-S229 PolarHBondContact O-OG 3.38Å; S229-L239 WeakPolarHBondContact CA-O 3.31Å; S229-L239 WeakPolarHBondContact CB-O 3.42Å; S229-C249 VanDerWaalsContact CB-SG 3.54Å
230S91Very high89.5Confident58 Ų5863 Ų6341%0.40636%0.355SS..EExtended strand (participates in β ladder)trans-104147.4162.653.40000109.3L239S230-L239 PolarHBondContact N-O 3.49Å; S230-L239 WeakPolarHBondContact O-CA 3.26Å; S230-L239 WeakPolarHBondContact O-CB 3.03Å; S230-L239 PolarHBondContact O-N 3Å
231C91.1Very high89.6Confident21 Ų2162.8 Ų62.814%0.14236%0.355CS..EExtended strand (participates in β ladder)trans-93.8135.7172.9-175.90000110.3C222 P233C222-C231 HydrophobicContact CB-CB 3.67Å; C222-C231 WeakPolarHBondContact CB-SG 3.33Å; C222-C231 WeakPolarHBondContact SG-CB 3.02Å; C222-C231 CovalentContact SG-SG 2.02Å; C222-C231 PolarHBondContact SG-SG 3.09Å; C231-P233 WeakPolarHBondContact O-CD 3.44Å
232D89.9Confident89.8Confident46 Ų4659.4 Ų59.425%0.24634%0.34CS..PPolyproline II helixtrans-70.3116.6167.3168.627.3000110.1A234 S235 G236 Q237 L239D232-A234 PolarHBondContact O-N 2.91Å; D232-A234 WeakPolarHBondContact OD1-CB 3.48Å; D232-A234 PolarHBondContact OD1-N 3.02Å; D232-S235 WeakPolarHBondContact OD2-CB 3.41Å; D232-S235 PolarHBondContact OD2-N 3.35Å; D232-S235 PolarHBondContact OD2-OG 2.85Å; D232-G236 WeakPolarHBondContact O-CA 3.07Å; D232-G236 PolarHBondContact O-N 2.95Å; D232-Q237 PolarHBondContact N-O 3.23Å; D232-L239 HydrophobicContact CB-CD1 4.43Å
233P86.2Confident89.9Confident64 Ų6458.6 Ų58.642%0.41634%0.335SS..THydrogen-bonded Turntrans-66.3-17.6-179.529.2-36.8000113.4C209 W214 G215 C231C209-P233 HydrophobicContact CB-CB 4Å; W214-P233 WeakPolarHBondContact CA-O 3.49Å; W214-P233 WeakPolarHBondContact CB-O 3.4Å; G215-P233 PolarHBondContact N-O 3.08Å; C231-P233 WeakPolarHBondContact O-CD 3.44Å
234A86.5Confident90Very high79 Ų7951.9 Ų51.965%0.65330%0.304SS*.THydrogen-bonded Turntrans-82.5-51.7177.800000112.7D232D232-A234 PolarHBondContact O-N 2.91Å; D232-A234 WeakPolarHBondContact OD1-CB 3.48Å; D232-A234 PolarHBondContact OD1-N 3.02Å
235S88.8Confident90.1Very high49 Ų4952.8 Ų52.834%0.34331%0.307SS..THydrogen-bonded Turntrans-102.2-14.6-17471.40000115.7W214 D232 Q237W214-S235 WeakPolarHBondContact CZ3-O 3.34Å; D232-S235 WeakPolarHBondContact OD2-CB 3.41Å; D232-S235 PolarHBondContact OD2-N 3.35Å; D232-S235 PolarHBondContact OD2-OG 2.85Å; S235-Q237 VanDerWaalsContact C-N 3.25Å; S235-Q237 PolarHBondContact O-N 3.28Å; S235-Q237 WeakPolarHBondContact OG-CB 3.44Å; S235-Q237 WeakPolarHBondContact OG-CG 3.39Å; S235-Q237 PolarHBondContact OG-N 3.36Å
236G88.4Confident90.1Very high14 Ų1451.8 Ų51.814%0.14431%0.31CS..  trans75.18.8-173.300000114.8D232D232-G236 WeakPolarHBondContact O-CA 3.07Å; D232-G236 PolarHBondContact O-N 2.95Å
237Q89.6Confident90.2Very high133 Ų13352.4 Ų52.462%0.62133%0.328SS*.  trans-75.7143.4178.3-68.7-176.815.100112.1D232 S235D232-Q237 PolarHBondContact N-O 3.23Å; S235-Q237 VanDerWaalsContact C-N 3.25Å; S235-Q237 PolarHBondContact O-N 3.28Å; S235-Q237 WeakPolarHBondContact OG-CB 3.44Å; S235-Q237 WeakPolarHBondContact OG-CG 3.39Å; S235-Q237 PolarHBondContact OG-N 3.36Å
238C90.9Very high90.2Very high26 Ų2651 Ų5118%0.17632%0.318CS..EExtended strand (participates in β ladder)trans-84.9113.4178.1-48.90000110.6C224 C240 A247C224-C238 WeakPolarHBondContact CA-SG 3.36Å; C224-C238 HydrophobicContact CB-CB 3.75Å; C224-C238 WeakPolarHBondContact CB-SG 3.26Å; C224-C238 WeakPolarHBondContact SG-CA 3.48Å; C224-C238 WeakPolarHBondContact SG-CB 3.33Å; C224-C238 CovalentContact SG-SG 2.03Å; C224-C238 PolarHBondContact SG-SG 2.03Å; C238-C240 PolarHBondContact O-N 3.02Å; C238-A247 WeakPolarHBondContact CB-O 3.25Å; C238-A247 PolarHBondContact SG-O 2.98Å
239L91.6Very high90.4Very high95 Ų9548.3 Ų48.350%0.49731%0.306SS..EExtended strand (participates in β ladder)trans-90.195.6174.3-58.4177.9000108.7S229 S230 D232S229-L239 WeakPolarHBondContact CA-O 3.31Å; S229-L239 WeakPolarHBondContact CB-O 3.42Å; S230-L239 PolarHBondContact N-O 3.49Å; S230-L239 WeakPolarHBondContact O-CA 3.26Å; S230-L239 WeakPolarHBondContact O-CB 3.03Å; S230-L239 PolarHBondContact O-N 3Å; D232-L239 HydrophobicContact CB-CD1 4.43Å
240C92.4Very high90.4Very high9 Ų951.4 Ų51.46%0.06133%0.328CS..EExtended strand (participates in β ladder)trans-63.5137.5-175.9-48.20000112.2C238 Y244 C249 S260C238-C240 PolarHBondContact O-N 3.02Å; C240-Y244 VanDerWaalsContact CB-O 3.26Å; C240-Y244 WeakPolarHBondContact CB-O 3.33Å; C240-C249 WeakPolarHBondContact CA-SG 3Å; C240-C249 HydrophobicContact CB-CB 3.61Å; C240-C249 WeakPolarHBondContact CB-SG 3.01Å; C240-C249 PolarHBondContact N-SG 2.8Å; C240-C249 VanDerWaalsContact SG-CA 3.54Å; C240-C249 WeakPolarHBondContact SG-CB 3.49Å; C240-C249 CovalentContact SG-SG 2.04Å; C240-C249 PolarHBondContact SG-SG 3.36Å; C240-S260 VanDerWaalsContact O-CB 3.23Å; C240-S260 WeakPolarHBondContact O-CB 3.42Å
241H92.9Very high90.4Very high79 Ų7954.5 Ų54.537%0.36633%0.33SS..PPolyproline II helixtrans-62.5155.4167.8-63.5161.2000110.2H228 G243 Y244H228-H241 WeakPolarHBondContact O-CB 2.99Å; H228-H241 PolarHBondContact O-N 3.28Å; H241-G243 PolarHBondContact O-N 3.5Å; H241-Y244 PolarHBondContact O-N 3.34Å; H241-Y244 VanDerWaalsContact O-N 3.15Å
242P93.4Very high90.4Very high61 Ų6157.7 Ų57.740%0.39635%0.349SS..THydrogen-bonded Turntrans-60137179.1-1931.8000110.8T278P242-T278 HydrophobicContact CB-CG2 3.83Å; P242-T278 VanDerWaalsContact CB-O 3.26Å; P242-T278 WeakPolarHBondContact CB-O 3.28Å
243G91.7Very high90.6Very high1 Ų156.3 Ų56.31%0.0134%0.343CS..THydrogen-bonded Turntrans96.6-6-171.400000114.9H241 T252 C253 G259 S277H241-G243 PolarHBondContact O-N 3.5Å; G243-T252 CarbonylContact O-C 3.43Å; G243-T252 VanDerWaalsContact O-CA 3.3Å; G243-T252 WeakPolarHBondContact O-CA 3.18Å; G243-C253 VanDerWaalsContact CA-SG 3.52Å; G243-C253 PolarHBondContact O-N 3.03Å; G243-C253 PolarHBondContact O-SG 2.71Å; G243-G259 PolarHBondContact N-O 3.41Å; G243-G259 VanDerWaalsContact N-O 3.13Å; G243-S277 WeakPolarHBondContact CA-O 3.25Å; G243-S277 PolarHBondContact N-O 2.84Å; G243-S277 VanDerWaalsContact N-O 3.16Å
244Y93.5Very high90.9Very high57 Ų5758.4 Ų58.422%0.22435%0.347CS..EExtended strand (participates in β ladder)trans-129150.9-175.8-65.9-95.5000114.1H228 C240 H241 C249 R251 T252 S261H228-Y244 HydrophobicContact CB-CD1 3.76Å; H228-Y244 HydrophobicContact CB-CD2 4.14Å; H228-Y244 HydrophobicContact CB-CE1 3.86Å; H228-Y244 HydrophobicContact CB-CE2 4.26Å; H228-Y244 HydrophobicContact CB-CG 3.89Å; H228-Y244 AromaticContact CD2-CD1 3.86Å; H228-Y244 AromaticContact CD2-CE1 3.13Å; H228-Y244 WeakPolarHBondContact CD2-CE1 3.3Å; H228-Y244 AromaticContact CD2-CZ 3.45Å; H228-Y244 VanDerWaalsContact CD2-CZ 3.45Å; H228-Y244 AromaticContact CE1-CZ 3.67Å; H228-Y244 PolarHBondContact CE1-OH 2.98Å; H228-Y244 AromaticContact CG-CD1 3.89Å; H228-Y244 AromaticContact CG-CE1 3.43Å; H228-Y244 VanDerWaalsContact CG-CE1 3.43Å; H228-Y244 AromaticContact CG-CE2 3.96Å; H228-Y244 AromaticContact CG-CZ 3.46Å; H228-Y244 VanDerWaalsContact CG-CZ 3.46Å; H228-Y244 AromaticContact ND1-CE2 3.98Å; H228-Y244 AromaticContact ND1-CZ 3.61Å; H228-Y244 AromaticContact NE2-CE1 3.62Å; H228-Y244 AromaticContact NE2-CZ 3.54Å; H228-Y244 PolarHBondContact NE2-OH 2.03Å; C240-Y244 VanDerWaalsContact CB-O 3.26Å; C240-Y244 WeakPolarHBondContact CB-O 3.33Å; H241-Y244 PolarHBondContact O-N 3.34Å; H241-Y244 VanDerWaalsContact O-N 3.15Å; Y244-C249 WeakPolarHBondContact CD1-O 3.15Å; Y244-R251 CarbonylContact C-O 3.57Å; Y244-R251 VanDerWaalsContact CA-O 3.26Å; Y244-R251 WeakPolarHBondContact CA-O 3.12Å; Y244-T252 HydrophobicContact CD1-CG2 4.23Å; Y244-T252 HydrophobicContact CE1-CG2 3.8Å; Y244-S261 VanDerWaalsContact O-CA 3.22Å; Y244-S261 WeakPolarHBondContact O-CA 3.36Å; Y244-S261 PolarHBondContact O-N 3.41Å
245M91.6Very high91Very high39 Ų3958.9 Ų58.919%0.19235%0.351CS..EExtended strand (participates in β ladder)trans-150.8177.7-175.562.4179.9-65.800113.5C249 R251 C262M245-C249 CarbonylContact O-C 3.55Å; M245-C249 WeakPolarHBondContact O-CA 3.4Å; M245-R251 HydrophobicContact CG-CB 4.02Å; M245-R251 PolarHBondContact N-O 2.97Å; M245-R251 PolarHBondContact O-N 3.22Å; M245-C262 HydrophobicContact CB-CB 4.22Å; M245-C262 VanDerWaalsContact CB-SG 3.58Å; M245-C262 HydrophobicContact CG-CB 4.41Å; M245-C262 HydrophobicContact SD-CB 3.83Å; M245-C262 VanDerWaalsContact SD-SG 3.69Å
246G89.3Confident91Very high36 Ų3657.9 Ų57.937%0.37135%0.349SS..SBendtrans89.5162.4-174.300000112.3S248 C249G246-S248 PolarHBondContact O-N 3.35Å; G246-C249 PolarHBondContact O-N 2.77Å
247A87.6Confident91.2Very high99 Ų9961.1 Ų61.182%0.81836%0.357SS*.THydrogen-bonded Turntrans-62.8-25.2-17400000114.1C238C238-A247 WeakPolarHBondContact CB-O 3.25Å; C238-A247 PolarHBondContact SG-O 2.98Å
248S88.8Confident91.3Very high44 Ų4455.1 Ų55.131%0.30833%0.329SS..THydrogen-bonded Turntrans-101.6-2175.252.70000113.8K223 D225 G246 S250K223-S248 WeakPolarHBondContact O-CB 3.4Å; D225-S248 PolarHBondContact N-O 3.36Å; G246-S248 PolarHBondContact O-N 3.35Å; S248-S250 PolarHBondContact O-N 2.9Å; S248-S250 PolarHBondContact OG-OG 3.29Å
249C92.2Very high91.4Very high0 Ų054.4 Ų54.40%033%0.326CS..SBendtrans5916.9-174.7-54.40000116.5S229 C240 Y244 M245 G246S229-C249 VanDerWaalsContact CB-SG 3.54Å; C240-C249 WeakPolarHBondContact CA-SG 3Å; C240-C249 HydrophobicContact CB-CB 3.61Å; C240-C249 WeakPolarHBondContact CB-SG 3.01Å; C240-C249 PolarHBondContact N-SG 2.8Å; C240-C249 VanDerWaalsContact SG-CA 3.54Å; C240-C249 WeakPolarHBondContact SG-CB 3.49Å; C240-C249 CovalentContact SG-SG 2.04Å; C240-C249 PolarHBondContact SG-SG 3.36Å; Y244-C249 WeakPolarHBondContact CD1-O 3.15Å; M245-C249 CarbonylContact O-C 3.55Å; M245-C249 WeakPolarHBondContact O-CA 3.4Å; G246-C249 PolarHBondContact O-N 2.77Å
250S90.8Very high91.4Very high70 Ų7053.3 Ų53.349%0.4933%0.326SS..  trans-88.62.1-178.956.30000114.8S248S248-S250 PolarHBondContact O-N 2.9Å; S248-S250 PolarHBondContact OG-OG 3.29Å
251R91.6Very high91.2Very high122 Ų12255 Ų5546%0.4634%0.338SS..EExtended strand (participates in β ladder)trans-101.3136.3172.2-67.6-178.957.6-155.2-12.6110Y244 M245 E254Y244-R251 CarbonylContact C-O 3.57Å; Y244-R251 VanDerWaalsContact CA-O 3.26Å; Y244-R251 WeakPolarHBondContact CA-O 3.12Å; M245-R251 HydrophobicContact CG-CB 4.02Å; M245-R251 PolarHBondContact N-O 2.97Å; M245-R251 PolarHBondContact O-N 3.22Å; R251-E254 IonicContact CZ-OE1 3.67Å; R251-E254 IonicContact NH2-OE1 2.65Å; R251-E254 PolarHBondContact NH2-OE1 3.45Å
252T91.6Very high91.2Very high88 Ų8851.7 Ų51.754%0.5432%0.324SS..EExtended strand (participates in β ladder)trans-74.5162.8167.848.20000111.9G243 Y244G243-T252 CarbonylContact O-C 3.43Å; G243-T252 VanDerWaalsContact O-CA 3.3Å; G243-T252 WeakPolarHBondContact O-CA 3.18Å; Y244-T252 HydrophobicContact CD1-CG2 4.23Å; Y244-T252 HydrophobicContact CE1-CG2 3.8Å
253C93.4Very high91.1Very high17 Ų1756.8 Ų56.812%0.11534%0.34CS..PPolyproline II helixtrans-64.3143.2173.4-61.20000113G243 Y257 C262G243-C253 VanDerWaalsContact CA-SG 3.52Å; G243-C253 PolarHBondContact O-N 3.03Å; G243-C253 PolarHBondContact O-SG 2.71Å; C253-Y257 WeakPolarHBondContact CB-O 3.37Å; C253-C262 WeakPolarHBondContact CA-SG 3.07Å; C253-C262 HydrophobicContact CB-CB 3.76Å; C253-C262 WeakPolarHBondContact CB-SG 3.48Å; C253-C262 WeakPolarHBondContact SG-CB 3.27Å; C253-C262 CovalentContact SG-SG 2.02Å; C253-C262 PolarHBondContact SG-SG 2.67Å
254E92.2Very high91.1Very high108 Ų10861.4 Ų61.451%0.50536%0.362SS..PPolyproline II helixtrans-71.8147.7170-66.8166.7-153.500110.5R251 G256 Y257R251-E254 IonicContact CZ-OE1 3.67Å; R251-E254 IonicContact NH2-OE1 2.65Å; R251-E254 PolarHBondContact NH2-OE1 3.45Å; E254-G256 PolarHBondContact O-N 3.3Å; E254-Y257 WeakPolarHBondContact O-CB 3.34Å; E254-Y257 PolarHBondContact O-N 3.13Å
255A88.8Confident91Very high89 Ų8967.1 Ų67.174%0.73638%0.383SS*.THydrogen-bonded Turntrans-58.5131.8-177.100000111.5P274A255-P274 HydrophobicContact CB-CB 4.34Å
256G88.7Confident91Very high29 Ų2966.7 Ų66.730%0.29938%0.384SS..THydrogen-bonded Turntrans96.3-6-171.200000114.3E254 R265 C266E254-G256 PolarHBondContact O-N 3.3Å; G256-R265 CarbonylContact O-C 3.32Å; G256-R265 WeakPolarHBondContact O-CA 3.3Å; G256-C266 WeakPolarHBondContact CA-SG 3.09Å; G256-C266 PolarHBondContact O-N 2.83Å
257Y92.2Very high91.1Very high81 Ų8165.9 Ų65.932%0.31838%0.375SS..EExtended strand (participates in β ladder)trans-125150.7178.5-65.4-92.5000113C253 E254 C262 M264 R265C253-Y257 WeakPolarHBondContact CB-O 3.37Å; E254-Y257 WeakPolarHBondContact O-CB 3.34Å; E254-Y257 PolarHBondContact O-N 3.13Å; Y257-C262 WeakPolarHBondContact CD1-O 3.2Å; Y257-M264 CarbonylContact C-O 3.29Å; Y257-M264 WeakPolarHBondContact CA-O 3.49Å; Y257-M264 WeakPolarHBondContact CD1-O 3.22Å; Y257-R265 HydrophobicContact CD1-CG 3.89Å; Y257-R265 HydrophobicContact CE1-CG 3.53Å; Y257-R265 PolarHBondContact OH-NE 3.07Å; Y257-R265 PolarHBondContact OH-NH2 2.94Å
258Y93.3Very high91.2Very high8 Ų867.3 Ų67.33%0.03136%0.363CS..EExtended strand (participates in β ladder)trans-149.8174.1-179.770.7-99.4000113.4C262 M264 R265 S276 S277 G280 R293Y258-C262 CarbonylContact O-C 3.57Å; Y258-C262 WeakPolarHBondContact O-CA 3.5Å; Y258-M264 HydrophobicContact CD1-CB 4.11Å; Y258-M264 HydrophobicContact CD2-CB 3.69Å; Y258-M264 HydrophobicContact CD2-CG 4.28Å; Y258-M264 HydrophobicContact CE1-CB 3.83Å; Y258-M264 HydrophobicContact CE2-CB 3.29Å; Y258-M264 HydrophobicContact CE2-CG 3.75Å; Y258-M264 HydrophobicContact CG-CB 4.05Å; Y258-M264 PolarHBondContact N-O 2.03Å; Y258-M264 WeakPolarHBondContact O-CB 3.46Å; Y258-M264 PolarHBondContact O-N 3.1Å; Y258-R265 VanDerWaalsContact CE1-C 3.41Å; Y258-R265 WeakPolarHBondContact CE1-O 3.38Å; Y258-S276 WeakPolarHBondContact CB-O 3.38Å; Y258-S277 CarbonylContact C-O 3.47Å; Y258-S277 WeakPolarHBondContact CA-O 3.38Å; Y258-S277 VanDerWaalsContact CB-O 3.23Å; Y258-S277 WeakPolarHBondContact CB-O 3.31Å; Y258-G280 VanDerWaalsContact CE1-CA 3.45Å; Y258-R293 VanDerWaalsContact CE2-NH2 3.28Å; Y258-R293 PolarHBondContact OH-NE 3.09Å; Y258-R293 PolarHBondContact OH-NH1 3.09Å
259G91.9Very high91.3Very high10 Ų1065.5 Ų65.510%0.10335%0.35CS..SBendtrans89.4-176.8174.100000113.2G243 S261 C262 S277 T278G243-G259 PolarHBondContact N-O 3.41Å; G243-G259 VanDerWaalsContact N-O 3.13Å; G259-S261 PolarHBondContact O-N 3.1Å; G259-C262 PolarHBondContact O-N 2.62Å; G259-C262 VanDerWaalsContact O-N 3.09Å; G259-S277 PolarHBondContact N-O 3.15Å; G259-T278 PolarHBondContact N-O 2.04Å
260S91.8Very high91.2Very high72 Ų7268.3 Ų68.350%0.50336%0.362SS..G310 helixtrans-66.9128177.247.80000110.7C240 C262C240-S260 VanDerWaalsContact O-CB 3.23Å; C240-S260 WeakPolarHBondContact O-CB 3.42Å; S260-C262 PolarHBondContact O-N 2.67Å; S260-C262 VanDerWaalsContact O-N 3.14Å
261S88.6Confident91.1Very high45 Ų4570.1 Ų70.132%0.31537%0.367SS..G310 helixtrans57.718.4-170.5-450000114.8Y244 G259 K263Y244-S261 VanDerWaalsContact O-CA 3.22Å; Y244-S261 WeakPolarHBondContact O-CA 3.36Å; Y244-S261 PolarHBondContact O-N 3.41Å; G259-S261 PolarHBondContact O-N 3.1Å; S261-K263 VanDerWaalsContact C-N 3.25Å; S261-K263 PolarHBondContact O-N 2.78Å; S261-K263 VanDerWaalsContact O-N 3.16Å
262C92.3Very high90.8Very high10 Ų1073 Ų737%0.06838%0.383CS..G310 helixtrans55.732.2172.4-48.20000115.1M245 C253 Y257 Y258 G259 S260M245-C262 HydrophobicContact CB-CB 4.22Å; M245-C262 VanDerWaalsContact CB-SG 3.58Å; M245-C262 HydrophobicContact CG-CB 4.41Å; M245-C262 HydrophobicContact SD-CB 3.83Å; M245-C262 VanDerWaalsContact SD-SG 3.69Å; C253-C262 WeakPolarHBondContact CA-SG 3.07Å; C253-C262 HydrophobicContact CB-CB 3.76Å; C253-C262 WeakPolarHBondContact CB-SG 3.48Å; C253-C262 WeakPolarHBondContact SG-CB 3.27Å; C253-C262 CovalentContact SG-SG 2.02Å; C253-C262 PolarHBondContact SG-SG 2.67Å; Y257-C262 WeakPolarHBondContact CD1-O 3.2Å; Y258-C262 CarbonylContact O-C 3.57Å; Y258-C262 WeakPolarHBondContact O-CA 3.5Å; G259-C262 PolarHBondContact O-N 2.62Å; G259-C262 VanDerWaalsContact O-N 3.09Å; S260-C262 PolarHBondContact O-N 2.67Å; S260-C262 VanDerWaalsContact O-N 3.14Å
263K92Very high90.6Very high168 Ų16876.4 Ų76.473%0.7339%0.385SS*.  trans-78.6-17.8-175-67.3175.8179.7169.80114.1S261S261-K263 VanDerWaalsContact C-N 3.25Å; S261-K263 PolarHBondContact O-N 2.78Å; S261-K263 VanDerWaalsContact O-N 3.16Å
264M91.4Very high90.3Very high97 Ų9780.2 Ų80.248%0.47841%0.41SS..EExtended strand (participates in β ladder)trans-95.5151.4-177.5-56.9-64.1-69.400110.7Y257 Y258Y257-M264 CarbonylContact C-O 3.29Å; Y257-M264 WeakPolarHBondContact CA-O 3.49Å; Y257-M264 WeakPolarHBondContact CD1-O 3.22Å; Y258-M264 HydrophobicContact CD1-CB 4.11Å; Y258-M264 HydrophobicContact CD2-CB 3.69Å; Y258-M264 HydrophobicContact CD2-CG 4.28Å; Y258-M264 HydrophobicContact CE1-CB 3.83Å; Y258-M264 HydrophobicContact CE2-CB 3.29Å; Y258-M264 HydrophobicContact CE2-CG 3.75Å; Y258-M264 HydrophobicContact CG-CB 4.05Å; Y258-M264 PolarHBondContact N-O 2.03Å; Y258-M264 WeakPolarHBondContact O-CB 3.46Å; Y258-M264 PolarHBondContact O-N 3.1Å
265R91.8Very high90.3Very high178 Ų17875.7 Ų75.767%0.67239%0.39SS*.EExtended strand (participates in β ladder)trans-107138.7178.1-71.7-179.9173.1176.21.6111.5G256 Y257 Y258G256-R265 CarbonylContact O-C 3.32Å; G256-R265 WeakPolarHBondContact O-CA 3.3Å; Y257-R265 HydrophobicContact CD1-CG 3.89Å; Y257-R265 HydrophobicContact CE1-CG 3.53Å; Y257-R265 PolarHBondContact OH-NE 3.07Å; Y257-R265 PolarHBondContact OH-NH2 2.94Å; Y258-R265 VanDerWaalsContact CE1-C 3.41Å; Y258-R265 WeakPolarHBondContact CE1-O 3.38Å
266C91.9Very high90.6Very high30 Ų3073.4 Ų73.420%0.20337%0.369CS..  trans-54.3147.9171.2-60.10000111.5G256 C275G256-C266 WeakPolarHBondContact CA-SG 3.09Å; G256-C266 PolarHBondContact O-N 2.83Å; C266-C275 VanDerWaalsContact CA-SG 3.58Å; C266-C275 HydrophobicContact CB-CB 3.72Å; C266-C275 WeakPolarHBondContact CB-SG 3.22Å; C266-C275 WeakPolarHBondContact SG-CB 3.15Å; C266-C275 CovalentContact SG-SG 2.03Å; C266-C275 PolarHBondContact SG-SG 2.85Å
267G89.5Confident90.7Very high18 Ų1874.2 Ų74.219%0.18637%0.37CS..  trans-79.1-167.8160.500000111.9C269 R293 C294G267-C269 PolarHBondContact O-N 3.32Å; G267-C269 VanDerWaalsContact O-N 3.09Å; G267-R293 VanDerWaalsContact CA-O 3.22Å; G267-R293 WeakPolarHBondContact CA-O 2.93Å; G267-R293 PolarHBondContact N-O 2.03Å; G267-C294 WeakPolarHBondContact CA-O 3.23Å
268F90.4Very high90.7Very high130 Ų13073.1 Ų73.157%0.5737%0.372SS*.  trans-8880.7-172.2-54.1-94.4000111.5E286 L289 C294F268-E286 HydrophobicContact CB-CG 4.15Å; F268-E286 PolarHBondContact O-N 2.92Å; F268-E286 VanDerWaalsContact O-N 3.07Å; F268-L289 HydrophobicContact CB-CD1 3.58Å; F268-L289 HydrophobicContact CD2-CD1 3.7Å; F268-L289 HydrophobicContact CG-CD1 3.97Å; F268-C294 PolarHBondContact N-O 3Å; F268-C294 VanDerWaalsContact O-CB 3.3Å; F268-C294 WeakPolarHBondContact O-CB 3.26Å
269C91.2Very high90.6Very high5 Ų577.1 Ų77.13%0.03439%0.394CS..BIsolated β-bridgetrans-63.2145.8171.2-52.70000111.5G267 K272 R273 C275 C282G267-C269 PolarHBondContact O-N 3.32Å; G267-C269 VanDerWaalsContact O-N 3.09Å; C269-K272 PolarHBondContact O-N 3.45Å; C269-K272 VanDerWaalsContact O-N 3.08Å; C269-R273 VanDerWaalsContact CB-O 3.31Å; C269-R273 WeakPolarHBondContact CB-O 3.47Å; C269-C275 VanDerWaalsContact SG-CB 3.59Å; C269-C282 WeakPolarHBondContact CA-SG 3.31Å; C269-C282 HydrophobicContact CB-CB 3.68Å; C269-C282 WeakPolarHBondContact CB-SG 3.47Å; C269-C282 WeakPolarHBondContact SG-CB 3.44Å; C269-C282 CovalentContact SG-SG 2.03Å; C269-C282 PolarHBondContact SG-SG 3.43Å
270K90.3Very high90.6Very high59 Ų5976.7 Ų76.726%0.25739%0.389SS..G310 helixtrans-53.1142175.3-158.8171.2-170.9176.10111.6K272 R273 A284 E305K270-K272 PolarHBondContact O-N 2.75Å; K270-K272 VanDerWaalsContact O-N 3.09Å; K270-R273 VanDerWaalsContact O-CG 3.31Å; K270-R273 WeakPolarHBondContact O-CG 3.26Å; K270-R273 PolarHBondContact O-N 3.35Å; K270-R273 VanDerWaalsContact O-N 3.17Å; K270-A284 HydrophobicContact CB-CB 4Å; K270-A284 HydrophobicContact CD-CB 4.01Å; K270-A284 PolarHBondContact N-O 2.8Å; K270-E305 WeakPolarHBondContact CE-OE1 3.49Å; K270-E305 IonicContact NZ-OE1 3.8Å; K270-E305 PolarHBondContact NZ-OE1 3.05Å; K270-E305 IonicContact NZ-OE2 3.47Å; K270-E305 PolarHBondContact NZ-OE2 3.27Å
271D88.4Confident90.6Very high108 Ų10874.9 Ų74.958%0.57838%0.378SS*.G310 helixtrans53.919.4-174.3-36.1-43.1000115.2R273D271-R273 HydrophobicContact CB-CG 4.22Å; D271-R273 PolarHBondContact O-N 2.8Å; D271-R273 IonicContact OD2-CZ 2.68Å; D271-R273 VanDerWaalsContact OD2-CZ 3.22Å; D271-R273 IonicContact OD2-NE 2.7Å; D271-R273 PolarHBondContact OD2-NE 3.18Å; D271-R273 IonicContact OD2-NH2 3.97Å; D271-R273 PolarHBondContact OD2-NH2 3.18Å
272K84.9Confident90.8Very high184 Ų18473.7 Ų73.780%0.837%0.37SS*.G310 helixtrans57.926.7-173.2-53174.7-176.4173.30113.6C269 K270C269-K272 PolarHBondContact O-N 3.45Å; C269-K272 VanDerWaalsContact O-N 3.08Å; K270-K272 PolarHBondContact O-N 2.75Å; K270-K272 VanDerWaalsContact O-N 3.09Å
273R86.6Confident90.6Very high158 Ų15880.3 Ų80.360%0.59641%0.41SS*.PPolyproline II helixtrans-60.6145.7175.7-65.5172.4-166.5-134.14.5110.3C269 K270 D271 C275C269-R273 VanDerWaalsContact CB-O 3.31Å; C269-R273 WeakPolarHBondContact CB-O 3.47Å; K270-R273 VanDerWaalsContact O-CG 3.31Å; K270-R273 WeakPolarHBondContact O-CG 3.26Å; K270-R273 PolarHBondContact O-N 3.35Å; K270-R273 VanDerWaalsContact O-N 3.17Å; D271-R273 HydrophobicContact CB-CG 4.22Å; D271-R273 PolarHBondContact O-N 2.8Å; D271-R273 IonicContact OD2-CZ 2.68Å; D271-R273 VanDerWaalsContact OD2-CZ 3.22Å; D271-R273 IonicContact OD2-NE 2.7Å; D271-R273 PolarHBondContact OD2-NE 3.18Å; D271-R273 IonicContact OD2-NH2 3.97Å; D271-R273 PolarHBondContact OD2-NH2 3.18Å; R273-C275 PolarHBondContact O-N 2.94Å
274P88.8Confident90.4Very high97 Ų9773.8 Ų73.863%0.6339%0.387SS*.PPolyproline II helixtrans-62.9137.1175.327.3-34.4000110.6A255A255-P274 HydrophobicContact CB-CB 4.34Å
275C92.3Very high90.4Very high13 Ų1369.6 Ų69.69%0.08837%0.367CS..PPolyproline II helixtrans-75.6164.117178.50000111.5C266 C269 R273 S277 G280 A281C266-C275 VanDerWaalsContact CA-SG 3.58Å; C266-C275 HydrophobicContact CB-CB 3.72Å; C266-C275 WeakPolarHBondContact CB-SG 3.22Å; C266-C275 WeakPolarHBondContact SG-CB 3.15Å; C266-C275 CovalentContact SG-SG 2.03Å; C266-C275 PolarHBondContact SG-SG 2.85Å; C269-C275 VanDerWaalsContact SG-CB 3.59Å; R273-C275 PolarHBondContact O-N 2.94Å; C275-S277 PolarHBondContact O-N 2.05Å; C275-G280 WeakPolarHBondContact CB-O 3.37Å; C275-A281 CarbonylContact C-O 3.5Å; C275-A281 WeakPolarHBondContact CA-O 3.26Å; C275-A281 WeakPolarHBondContact CB-O 3.27Å
276S93.7Very high90.4Very high42 Ų4263.6 Ų63.629%0.29435%0.347SS..PPolyproline II helixtrans-55121.3171.9172.30000110.6Y258 T278 D279 G280 A281Y258-S276 WeakPolarHBondContact CB-O 3.38Å; S276-T278 PolarHBondContact O-N 2.79Å; S276-T278 PolarHBondContact OG-N 3.18Å; S276-D279 PolarHBondContact O-N 2.97Å; S276-G280 VanDerWaalsContact O-CA 3.31Å; S276-G280 WeakPolarHBondContact O-CA 3.36Å; S276-G280 PolarHBondContact O-N 3.45Å; S276-A281 PolarHBondContact N-O 3.1Å
277S92.3Very high90.3Very high45 Ų4564.3 Ų64.332%0.31535%0.351SS..THydrogen-bonded Turntrans-63.4-23.7177.653.50000112.9G243 Y258 G259 C275G243-S277 WeakPolarHBondContact CA-O 3.25Å; G243-S277 PolarHBondContact N-O 2.84Å; G243-S277 VanDerWaalsContact N-O 3.16Å; Y258-S277 CarbonylContact C-O 3.47Å; Y258-S277 WeakPolarHBondContact CA-O 3.38Å; Y258-S277 VanDerWaalsContact CB-O 3.23Å; Y258-S277 WeakPolarHBondContact CB-O 3.31Å; G259-S277 PolarHBondContact N-O 3.15Å; C275-S277 PolarHBondContact O-N 2.05Å
278T91.4Very high90.3Very high58 Ų5863.6 Ų63.636%0.35634%0.344SS..THydrogen-bonded Turntrans-71.4-59.9176-45.30000110.8P242 G259 S276P242-T278 HydrophobicContact CB-CG2 3.83Å; P242-T278 VanDerWaalsContact CB-O 3.26Å; P242-T278 WeakPolarHBondContact CB-O 3.28Å; G259-T278 PolarHBondContact N-O 2.04Å; S276-T278 PolarHBondContact O-N 2.79Å; S276-T278 PolarHBondContact OG-N 3.18Å
279D91.8Very high90.3Very high93 Ų9358.6 Ų58.650%0.49732%0.323SS..THydrogen-bonded Turntrans-113.6-16.1-161.7-47.7-64000114.5S276 R293S276-D279 PolarHBondContact O-N 2.97Å; D279-R293 PolarHBondContact O-NE 3.17Å; D279-R293 PolarHBondContact O-NH2 3.08Å
280G91.6Very high90.1Very high0 Ų061.3 Ų61.30%034%0.337CS..  trans87.38.4-171.400000115.2Y258 C275 S276Y258-G280 VanDerWaalsContact CE1-CA 3.45Å; C275-G280 WeakPolarHBondContact CB-O 3.37Å; S276-G280 VanDerWaalsContact O-CA 3.31Å; S276-G280 WeakPolarHBondContact O-CA 3.36Å; S276-G280 PolarHBondContact O-N 3.45Å
281A92.3Very high90Very high34 Ų3459.8 Ų59.828%0.28134%0.338SS..  trans-74.6137.8-171.600000113.7C275 S276 T292C275-A281 CarbonylContact C-O 3.5Å; C275-A281 WeakPolarHBondContact CA-O 3.26Å; C275-A281 WeakPolarHBondContact CB-O 3.27Å; S276-A281 PolarHBondContact N-O 3.1Å; A281-T292 CarbonylContact C-O 3.57Å; A281-T292 WeakPolarHBondContact CA-O 3.4Å
282C91.6Very high90Very high20 Ų2060 Ų6014%0.13534%0.343CS..  trans-98.3155.1170.2-60.60000110.6C269 T292 C294C269-C282 WeakPolarHBondContact CA-SG 3.31Å; C269-C282 HydrophobicContact CB-CB 3.68Å; C269-C282 WeakPolarHBondContact CB-SG 3.47Å; C269-C282 WeakPolarHBondContact SG-CB 3.44Å; C269-C282 CovalentContact SG-SG 2.03Å; C269-C282 PolarHBondContact SG-SG 3.43Å; C282-T292 PolarHBondContact N-O 3.38Å; C282-C294 WeakPolarHBondContact CB-SG 3.37Å
283V88Confident90.3Very high150 Ų15055.1 Ų55.191%0.90932%0.32SS*.SBendtrans-77.4-32.5172.5179.40000111.9
284A88.3Confident90.5Very high31 Ų3147.6 Ų47.626%0.25629%0.292SS..SBendtrans-155.9158.6173.700000109K270K270-A284 HydrophobicContact CB-CB 4Å; K270-A284 HydrophobicContact CD-CB 4.01Å; K270-A284 PolarHBondContact N-O 2.8Å
285C91.4Very high90.6Very high9 Ų946.9 Ų46.96%0.06128%0.282CS..BIsolated β-bridgetrans-95.8161.7178.9-60.70000113.3L289 G291 C294C285-L289 HydrophobicContact CB-CB 4.16Å; C285-G291 PolarHBondContact SG-O 2.7Å; C285-C294 WeakPolarHBondContact CA-SG 3.31Å; C285-C294 HydrophobicContact CB-CB 3.66Å; C285-C294 WeakPolarHBondContact CB-SG 3.05Å; C285-C294 WeakPolarHBondContact SG-CA 3.07Å; C285-C294 WeakPolarHBondContact SG-CB 3.31Å; C285-C294 CovalentContact SG-SG 2.03Å; C285-C294 PolarHBondContact SG-SG 3.16Å
286E91.1Very high90.5Very high52 Ų5251.8 Ų51.824%0.24330%0.304CS..PPolyproline II helixtrans-61148.4154.8-69.7-168.2176.500110.4F268 G288 L289 K323F268-E286 HydrophobicContact CB-CG 4.15Å; F268-E286 PolarHBondContact O-N 2.92Å; F268-E286 VanDerWaalsContact O-N 3.07Å; E286-G288 PolarHBondContact O-N 3.5Å; E286-L289 HydrophobicContact CB-CD1 4.41Å; E286-L289 PolarHBondContact O-N 2.88Å; E286-K323 IonicContact OE2-NZ 2.91Å; E286-K323 PolarHBondContact OE2-NZ 3.43Å
287P90.4Very high90.3Very high45 Ų4554.2 Ų54.229%0.29232%0.319SS..THydrogen-bonded Turntrans-52.7140.8175.2-25.833.2000112.6G304 E305 K323P287-G304 WeakPolarHBondContact CA-O 3.44Å; P287-E305 HydrophobicContact CG-CG 4.15Å; P287-K323 WeakPolarHBondContact O-CD 3.36Å; P287-K323 WeakPolarHBondContact O-CE 3.47Å; P287-K323 VanDerWaalsContact O-CG 3.31Å; P287-K323 WeakPolarHBondContact O-CG 3.13Å
288G88.6Confident90.2Very high3 Ų352.9 Ų52.93%0.03131%0.309CS..THydrogen-bonded Turntrans84.12.4-177.800000116.3E286 C298 G304 P322E286-G288 PolarHBondContact O-N 3.5Å; G288-C298 VanDerWaalsContact CA-SG 3.5Å; G288-C298 PolarHBondContact O-N 3.24Å; G288-G304 PolarHBondContact N-O 3.43Å; G288-P322 VanDerWaalsContact CA-C 3.43Å; G288-P322 WeakPolarHBondContact CA-O 3.19Å; G288-P322 PolarHBondContact N-O 2.99Å
289L91.2Very high90Very high25 Ų2552.7 Ų52.713%0.13131%0.314CS..EExtended strand (participates in β ladder)trans-118150.5173.2-67.3165.4000111.3F268 C285 E286 C294 Q296F268-L289 HydrophobicContact CB-CD1 3.58Å; F268-L289 HydrophobicContact CD2-CD1 3.7Å; F268-L289 HydrophobicContact CG-CD1 3.97Å; C285-L289 HydrophobicContact CB-CB 4.16Å; E286-L289 HydrophobicContact CB-CD1 4.41Å; E286-L289 PolarHBondContact O-N 2.88Å; L289-C294 HydrophobicContact CB-CB 4.41Å; L289-Q296 CarbonylContact C-O 3.51Å; L289-Q296 VanDerWaalsContact CA-O 3.26Å; L289-Q296 WeakPolarHBondContact CA-O 3.14Å; L289-Q296 VanDerWaalsContact CD2-O 3.26Å; L289-Q296 WeakPolarHBondContact CD2-O 3.34Å
290N88.1Confident89.6Confident62 Ų6251.9 Ų51.933%0.33232%0.315SS..EExtended strand (participates in β ladder)trans-132.6176.4-175.4-151.6-18.1000111.1Q296 C307N290-Q296 PolarHBondContact N-O 3.24Å; N290-C307 VanDerWaalsContact CB-SG 3.57Å
291G87.4Confident89.3Confident27 Ų2753.3 Ų53.328%0.27833%0.33SS..THydrogen-bonded Turntrans78.8156.9-178.400000111.9C285 R293 C294C285-G291 PolarHBondContact SG-O 2.7Å; G291-R293 PolarHBondContact O-N 2.89Å; G291-C294 PolarHBondContact O-N 3.35Å; G291-C294 VanDerWaalsContact O-N 3.16Å
292T89.1Confident89.2Confident112 Ų11255.3 Ų55.369%0.68733%0.333SS*.THydrogen-bonded Turntrans-62-10-176.452.60000114.3A281 C282A281-T292 CarbonylContact C-O 3.57Å; A281-T292 WeakPolarHBondContact CA-O 3.4Å; C282-T292 PolarHBondContact N-O 3.38Å
293R90.5Very high89.1Confident81 Ų8155.6 Ų55.631%0.30633%0.331SS..THydrogen-bonded Turntrans-112.3-10.4-177.6-66.7179.4155.4176.6-0.6114.7Y258 G267 D279 G291 D295Y258-R293 VanDerWaalsContact CE2-NH2 3.28Å; Y258-R293 PolarHBondContact OH-NE 3.09Å; Y258-R293 PolarHBondContact OH-NH1 3.09Å; G267-R293 VanDerWaalsContact CA-O 3.22Å; G267-R293 WeakPolarHBondContact CA-O 2.93Å; G267-R293 PolarHBondContact N-O 2.03Å; D279-R293 PolarHBondContact O-NE 3.17Å; D279-R293 PolarHBondContact O-NH2 3.08Å; G291-R293 PolarHBondContact O-N 2.89Å; R293-D295 VanDerWaalsContact C-N 3.25Å; R293-D295 HydrophobicContact CB-CB 4.38Å; R293-D295 WeakPolarHBondContact CB-OD1 3.16Å; R293-D295 WeakPolarHBondContact CD-OD2 3.01Å; R293-D295 PolarHBondContact O-N 2.77Å
294C91.6Very high89.1Confident1 Ų148.8 Ų48.81%0.00729%0.291CS..THydrogen-bonded Turntrans56.839.3-176.2-440000113.2G267 F268 C282 C285 L289 G291G267-C294 WeakPolarHBondContact CA-O 3.23Å; F268-C294 PolarHBondContact N-O 3Å; F268-C294 VanDerWaalsContact O-CB 3.3Å; F268-C294 WeakPolarHBondContact O-CB 3.26Å; C282-C294 WeakPolarHBondContact CB-SG 3.37Å; C285-C294 WeakPolarHBondContact CA-SG 3.31Å; C285-C294 HydrophobicContact CB-CB 3.66Å; C285-C294 WeakPolarHBondContact CB-SG 3.05Å; C285-C294 WeakPolarHBondContact SG-CA 3.07Å; C285-C294 WeakPolarHBondContact SG-CB 3.31Å; C285-C294 CovalentContact SG-SG 2.03Å; C285-C294 PolarHBondContact SG-SG 3.16Å; L289-C294 HydrophobicContact CB-CB 4.41Å; G291-C294 PolarHBondContact O-N 3.35Å; G291-C294 VanDerWaalsContact O-N 3.16Å
295D89.8Confident89Confident81 Ų8151.6 Ų51.643%0.43330%0.299SS..  trans-108.4-6.9177.158.4-8000113R293R293-D295 VanDerWaalsContact C-N 3.25Å; R293-D295 HydrophobicContact CB-CB 4.38Å; R293-D295 WeakPolarHBondContact CB-OD1 3.16Å; R293-D295 WeakPolarHBondContact CD-OD2 3.01Å; R293-D295 PolarHBondContact O-N 2.77Å
296Q89.9Confident88.7Confident116 Ų11654.3 Ų54.354%0.54231%0.313SS..EExtended strand (participates in β ladder)trans-111140.8178-62.3-180-6.600110.8L289 N290L289-Q296 CarbonylContact C-O 3.51Å; L289-Q296 VanDerWaalsContact CA-O 3.26Å; L289-Q296 WeakPolarHBondContact CA-O 3.14Å; L289-Q296 VanDerWaalsContact CD2-O 3.26Å; L289-Q296 WeakPolarHBondContact CD2-O 3.34Å; N290-Q296 PolarHBondContact N-O 3.24Å
297P89.1Confident88.6Confident94 Ų9452.2 Ų52.261%0.6130%0.304SS*.EExtended strand (participates in β ladder)trans-70.2164.7169.831.6-35.4000111.8
298C90.5Very high88.5Confident16 Ų1656.9 Ų56.911%0.10832%0.32CS..PPolyproline II helixtrans-56.4151.6169.4-68.90000112.9G288 F302 C307 P322G288-C298 VanDerWaalsContact CA-SG 3.5Å; G288-C298 PolarHBondContact O-N 3.24Å; C298-F302 VanDerWaalsContact CB-O 3.25Å; C298-F302 WeakPolarHBondContact CB-O 3.36Å; C298-C307 WeakPolarHBondContact CA-SG 3.29Å; C298-C307 HydrophobicContact CB-CB 3.74Å; C298-C307 WeakPolarHBondContact CB-SG 3.03Å; C298-C307 WeakPolarHBondContact SG-CB 3.19Å; C298-C307 CovalentContact SG-SG 2.03Å; C298-C307 PolarHBondContact SG-SG 3.36Å; C298-P322 HydrophobicContact CB-CB 3.91Å
299A87.8Confident88.5Confident55 Ų5560.3 Ų60.346%0.45534%0.337SS..PPolyproline II helixtrans-63155.117400000111.1G301 F302A299-G301 PolarHBondContact O-N 3.31Å; A299-F302 HydrophobicContact CB-CD2 4.07Å; A299-F302 PolarHBondContact O-N 2.98Å
300S83.8Confident88.3Confident75 Ų7565.9 Ų65.952%0.52436%0.36SS..THydrogen-bonded Turntrans-61.9128.3176-57.90000109.5R319S300-R319 PolarHBondContact OG-NE 2.91Å
301G85.4Confident88.3Confident30 Ų3064.1 Ų64.131%0.30935%0.353SS..THydrogen-bonded Turntrans88.97.3-173.400000115.2A299 K310 C311A299-G301 PolarHBondContact O-N 3.31Å; G301-K310 CarbonylContact O-C 3.57Å; G301-K310 WeakPolarHBondContact O-CA 3.48Å; G301-C311 VanDerWaalsContact CA-SG 3.57Å; G301-C311 PolarHBondContact O-N 2.86Å
302F88.8Confident88.2Confident76 Ų7664 Ų6433%0.33335%0.347SS..EExtended strand (participates in β ladder)trans-135149.8177.7-66.3-93.5000113.1C298 A299 C307 D309 K310C298-F302 VanDerWaalsContact CB-O 3.25Å; C298-F302 WeakPolarHBondContact CB-O 3.36Å; A299-F302 HydrophobicContact CB-CD2 4.07Å; A299-F302 PolarHBondContact O-N 2.98Å; F302-C307 HydrophobicContact CB-CB 4.27Å; F302-C307 VanDerWaalsContact CD1-O 3.31Å; F302-C307 WeakPolarHBondContact CD1-O 3.22Å; F302-D309 CarbonylContact C-O 3.56Å; F302-D309 VanDerWaalsContact CA-O 3.24Å; F302-D309 WeakPolarHBondContact CA-O 3.03Å; F302-K310 HydrophobicContact CD1-CG 4.18Å; F302-K310 HydrophobicContact CE1-CG 3.74Å; F302-K310 HydrophobicContact CZ-CG 4.29Å
303Y90.1Very high88Confident27 Ų2763.1 Ų63.111%0.10633%0.331CS..EExtended strand (participates in β ladder)trans-147.6179.7178.876.4-91.9000111.9C307 D309 K310 P322 G325 R338Y303-C307 CarbonylContact O-C 3.56Å; Y303-C307 WeakPolarHBondContact O-CA 3.5Å; Y303-D309 HydrophobicContact CD1-CB 4Å; Y303-D309 HydrophobicContact CD2-CB 4.07Å; Y303-D309 HydrophobicContact CE1-CB 3.67Å; Y303-D309 HydrophobicContact CE2-CB 3.69Å; Y303-D309 HydrophobicContact CG-CB 4.18Å; Y303-D309 VanDerWaalsContact CZ-CB 3.47Å; Y303-D309 PolarHBondContact N-O 2.82Å; Y303-D309 PolarHBondContact O-N 3.49Å; Y303-K310 VanDerWaalsContact CE1-O 3.28Å; Y303-K310 WeakPolarHBondContact CE1-O 3.43Å; Y303-P322 CarbonylContact C-O 3.48Å; Y303-P322 VanDerWaalsContact CA-O 3.31Å; Y303-P322 WeakPolarHBondContact CA-O 3.48Å; Y303-P322 VanDerWaalsContact CB-O 3.3Å; Y303-P322 WeakPolarHBondContact CB-O 3.38Å; Y303-G325 VanDerWaalsContact CD2-CA 3.44Å; Y303-R338 PolarHBondContact OH-NE 3.34Å; Y303-R338 PolarHBondContact OH-NH2 2.04Å
304G87.5Confident87.7Confident6 Ų659.4 Ų59.46%0.06232%0.317CS..SBendtrans92.1-154.5166.500000114.1P287 G288 P322P287-G304 WeakPolarHBondContact CA-O 3.44Å; G288-G304 PolarHBondContact N-O 3.43Å; G304-P322 PolarHBondContact N-O 2.57Å
305E87.6Confident87.4Confident90 Ų9062 Ų6242%0.42133%0.327SS..G310 helixtrans-79.7132.8175-67-158.8-178.900111.1K270 P287 C307 K308K270-E305 WeakPolarHBondContact CE-OE1 3.49Å; K270-E305 IonicContact NZ-OE1 3.8Å; K270-E305 PolarHBondContact NZ-OE1 3.05Å; K270-E305 IonicContact NZ-OE2 3.47Å; K270-E305 PolarHBondContact NZ-OE2 3.27Å; P287-E305 HydrophobicContact CG-CG 4.15Å; E305-C307 PolarHBondContact O-N 2.95Å; E305-K308 PolarHBondContact O-N 2.88Å
306D84.1Confident86.8Confident66 Ų6663.9 Ų63.935%0.35334%0.337SS..G310 helixtrans49.820.9-172.1-49.5-36.5000114.5K308D306-K308 VanDerWaalsContact C-N 3.25Å; D306-K308 HydrophobicContact CB-CD 4.01Å; D306-K308 HydrophobicContact CB-CG 4.19Å; D306-K308 PolarHBondContact O-N 3.37Å; D306-K308 IonicContact OD2-NZ 3.94Å; D306-K308 PolarHBondContact OD2-NZ 3.23Å
307C89.1Confident86Confident9 Ų963.7 Ų63.76%0.06135%0.349CS..G310 helixtrans54.235.4-176.4-50.30000114.3N290 C298 F302 Y303 E305N290-C307 VanDerWaalsContact CB-SG 3.57Å; C298-C307 WeakPolarHBondContact CA-SG 3.29Å; C298-C307 HydrophobicContact CB-CB 3.74Å; C298-C307 WeakPolarHBondContact CB-SG 3.03Å; C298-C307 WeakPolarHBondContact SG-CB 3.19Å; C298-C307 CovalentContact SG-SG 2.03Å; C298-C307 PolarHBondContact SG-SG 3.36Å; F302-C307 HydrophobicContact CB-CB 4.27Å; F302-C307 VanDerWaalsContact CD1-O 3.31Å; F302-C307 WeakPolarHBondContact CD1-O 3.22Å; Y303-C307 CarbonylContact O-C 3.56Å; Y303-C307 WeakPolarHBondContact O-CA 3.5Å; E305-C307 PolarHBondContact O-N 2.95Å
308K88.3Confident85.4Confident143 Ų14363.5 Ų63.562%0.62234%0.34SS*.  trans-79.3-27.6-177.4-73.5160.8177.1157.30113.7E305 D306E305-K308 PolarHBondContact O-N 2.88Å; D306-K308 VanDerWaalsContact C-N 3.25Å; D306-K308 HydrophobicContact CB-CD 4.01Å; D306-K308 HydrophobicContact CB-CG 4.19Å; D306-K308 PolarHBondContact O-N 3.37Å; D306-K308 IonicContact OD2-NZ 3.94Å; D306-K308 PolarHBondContact OD2-NZ 3.23Å
309D88.6Confident84.8Confident75 Ų7571.4 Ų71.440%0.40137%0.368SS..EExtended strand (participates in β ladder)trans-83.7129.9-175.3-57.4-45.4000110.1F302 Y303F302-D309 CarbonylContact C-O 3.56Å; F302-D309 VanDerWaalsContact CA-O 3.24Å; F302-D309 WeakPolarHBondContact CA-O 3.03Å; Y303-D309 HydrophobicContact CD1-CB 4Å; Y303-D309 HydrophobicContact CD2-CB 4.07Å; Y303-D309 HydrophobicContact CE1-CB 3.67Å; Y303-D309 HydrophobicContact CE2-CB 3.69Å; Y303-D309 HydrophobicContact CG-CB 4.18Å; Y303-D309 VanDerWaalsContact CZ-CB 3.47Å; Y303-D309 PolarHBondContact N-O 2.82Å; Y303-D309 PolarHBondContact O-N 3.49Å
310K88.3Confident84.8Confident141 Ų14169.1 Ų69.161%0.61335%0.348SS*.EExtended strand (participates in β ladder)trans-77.4137175.1-71.9-171.8175.5-1700110.4G301 F302 Y303G301-K310 CarbonylContact O-C 3.57Å; G301-K310 WeakPolarHBondContact O-CA 3.48Å; F302-K310 HydrophobicContact CD1-CG 4.18Å; F302-K310 HydrophobicContact CE1-CG 3.74Å; F302-K310 HydrophobicContact CZ-CG 4.29Å; Y303-K310 VanDerWaalsContact CE1-O 3.28Å; Y303-K310 WeakPolarHBondContact CE1-O 3.43Å
311C87.8Confident85Confident26 Ų2668.1 Ų68.118%0.17634%0.337CS..PPolyproline II helixtrans-53.4139.5170.4-70.40000110.3G301 C320G301-C311 VanDerWaalsContact CA-SG 3.57Å; G301-C311 PolarHBondContact O-N 2.86Å; C311-C320 VanDerWaalsContact CA-SG 3.54Å; C311-C320 HydrophobicContact CB-CB 3.78Å; C311-C320 WeakPolarHBondContact CB-SG 3.34Å; C311-C320 WeakPolarHBondContact SG-CB 3.26Å; C311-C320 PolarHBondContact SG-N 2.86Å; C311-C320 VanDerWaalsContact SG-N 3.42Å; C311-C320 CovalentContact SG-SG 2.04Å; C311-C320 PolarHBondContact SG-SG 2.9Å
312P85.4Confident85.1Confident25 Ų2568.9 Ų68.916%0.16234%0.336CS..  trans-78-166.4174.335.1-35.7000110.8C314 R338 E340P312-C314 PolarHBondContact O-N 3.19Å; P312-R338 WeakPolarHBondContact CB-O 3Å; P312-R338 HydrophobicContact CG-CB 4.14Å; P312-R338 WeakPolarHBondContact CG-O 3.26Å; P312-E340 HydrophobicContact CB-CG 4.16Å
313R83.8Confident85Confident92 Ų9269.9 Ų69.935%0.34734%0.34SS..  trans-74.765.1-173.4-63.9-169.7-166.1176.911.5113.8D331 W334 C339 H498R313-D331 HydrophobicContact CB-CB 4.4Å; R313-D331 PolarHBondContact O-N 3.35Å; R313-D331 VanDerWaalsContact O-N 3.08Å; R313-W334 VanDerWaalsContact NH1-CZ2 3.33Å; R313-C339 VanDerWaalsContact O-CB 3.31Å; R313-C339 WeakPolarHBondContact O-CB 3.19Å; R313-H498 PolarHBondContact NH2-CD2 2.87Å; R313-H498 PolarHBondContact NH2-CE1 2.85Å; R313-H498 PolarHBondContact NH2-NE2 2.95Å
314C85.4Confident84.9Confident3 Ų372.2 Ų72.22%0.0236%0.358CS..BIsolated β-bridgetrans-67.7140.2165.9-52.80000109.8P312 N316 S317 E318 C327 R329P312-C314 PolarHBondContact O-N 3.19Å; C314-N316 PolarHBondContact O-N 3.46Å; C314-S317 PolarHBondContact O-N 3.34Å; C314-E318 WeakPolarHBondContact CB-O 3.44Å; C314-C327 WeakPolarHBondContact CA-SG 3.3Å; C314-C327 HydrophobicContact CB-CB 3.74Å; C314-C327 WeakPolarHBondContact CB-SG 3.22Å; C314-C327 PolarHBondContact N-SG 3.01Å; C314-C327 VanDerWaalsContact N-SG 3.42Å; C314-C327 WeakPolarHBondContact SG-CB 3Å; C314-C327 CovalentContact SG-SG 2.04Å; C314-C327 PolarHBondContact SG-SG 2.03Å; C314-R329 WeakPolarHBondContact CA-O 3.23Å
315W83.4Confident84.9Confident55 Ų5572 Ų7221%0.20836%0.355CS..G310 helixtrans-43.8131.8178.5-179.7-86.6000112.1S317 E318 R329 D331 P332 D350W315-S317 PolarHBondContact O-N 2.88Å; W315-E318 VanDerWaalsContact O-CB 3.25Å; W315-E318 WeakPolarHBondContact O-CB 3.2Å; W315-E318 WeakPolarHBondContact O-CG 3.04Å; W315-E318 PolarHBondContact O-N 3.26Å; W315-R329 HydrophobicContact CB-CB 3.88Å; W315-R329 HydrophobicContact CB-CG 4.02Å; W315-R329 HydrophobicContact CD2-CG 4.38Å; W315-R329 HydrophobicContact CE3-CG 4.18Å; W315-R329 HydrophobicContact CG-CG 4.32Å; W315-R329 PolarHBondContact N-O 3.49Å; W315-D331 WeakPolarHBondContact CA-OD1 3.45Å; W315-P332 HydrophobicContact CH2-CG 4.45Å; W315-P332 HydrophobicContact CZ3-CG 3.82Å; W315-D350 HydrophobicContact CZ3-CB 4.42Å
316N77.5Confident84.9Confident121 Ų12172.1 Ų72.165%0.64735%0.354SS*.G310 helixtrans54.821.5179.1-76.1-13.7000115.3C314 E318 D331C314-N316 PolarHBondContact O-N 3.46Å; N316-E318 PolarHBondContact O-N 2.89Å; N316-D331 PolarHBondContact N-OD1 3.16Å
317S74.7Confident85.1Confident113 Ų11369.3 Ų69.379%0.7934%0.34SS*.G310 helixtrans59.531.2-170.1-52.60000114.1C314 W315C314-S317 PolarHBondContact O-N 3.34Å; W315-S317 PolarHBondContact O-N 2.88Å
318E74.6Confident84.8Confident90 Ų9079.9 Ų79.942%0.42138%0.378SS..PPolyproline II helixtrans-59.5158.6173.1-77.8169.8-157.900112.7C314 W315 N316 C320C314-E318 WeakPolarHBondContact CB-O 3.44Å; W315-E318 VanDerWaalsContact O-CB 3.25Å; W315-E318 WeakPolarHBondContact O-CB 3.2Å; W315-E318 WeakPolarHBondContact O-CG 3.04Å; W315-E318 PolarHBondContact O-N 3.26Å; N316-E318 PolarHBondContact O-N 2.89Å; E318-C320 PolarHBondContact O-N 3.48Å
319R79.6Confident84.6Confident182 Ų18278.1 Ų78.169%0.68737%0.368SS*.PPolyproline II helixtrans-67120.8178.5-61.5-179.7-174.6121.64.4110.2S300S300-R319 PolarHBondContact OG-NE 2.91Å
320C86.9Confident84.5Confident6 Ų675.5 Ų75.54%0.04136%0.355CS..PPolyproline II helixtrans-66.6160.816269.50000111C311 E318 P322 K326C311-C320 VanDerWaalsContact CA-SG 3.54Å; C311-C320 HydrophobicContact CB-CB 3.78Å; C311-C320 WeakPolarHBondContact CB-SG 3.34Å; C311-C320 WeakPolarHBondContact SG-CB 3.26Å; C311-C320 PolarHBondContact SG-N 2.86Å; C311-C320 VanDerWaalsContact SG-N 3.42Å; C311-C320 CovalentContact SG-SG 2.04Å; C311-C320 PolarHBondContact SG-SG 2.9Å; E318-C320 PolarHBondContact O-N 3.48Å; C320-P322 WeakPolarHBondContact O-CD 3.38Å; C320-K326 CarbonylContact C-O 3.59Å; C320-K326 WeakPolarHBondContact CA-O 3.02Å
321D88.9Confident84.5Confident54 Ų5470.9 Ų70.929%0.28934%0.337SS..PPolyproline II helixtrans-56.3118.7169.1168.58.1000109.4K323 T324 G325 K326D321-K323 PolarHBondContact O-N 3.44Å; D321-K323 VanDerWaalsContact O-N 3.17Å; D321-K323 WeakPolarHBondContact OD1-CB 3.28Å; D321-K323 PolarHBondContact OD1-N 3.47Å; D321-T324 VanDerWaalsContact CG-OG1 3.3Å; D321-T324 PolarHBondContact O-N 2.87Å; D321-T324 WeakPolarHBondContact OD2-CB 3.31Å; D321-T324 VanDerWaalsContact OD2-CG2 3.27Å; D321-T324 WeakPolarHBondContact OD2-CG2 3.38Å; D321-T324 PolarHBondContact OD2-N 3.26Å; D321-T324 PolarHBondContact OD2-OG1 2.03Å; D321-G325 WeakPolarHBondContact O-CA 3.34Å; D321-G325 PolarHBondContact O-N 3.16Å; D321-K326 HydrophobicContact CB-CB 4.31Å; D321-K326 PolarHBondContact N-O 3.22Å
322P86.7Confident84.5Confident46 Ų4671.9 Ų71.930%0.29934%0.343SS..THydrogen-bonded Turntrans-64.8-22.2-176.128.8-36.9000112.6G288 C298 Y303 G304 C320G288-P322 VanDerWaalsContact CA-C 3.43Å; G288-P322 WeakPolarHBondContact CA-O 3.19Å; G288-P322 PolarHBondContact N-O 2.99Å; C298-P322 HydrophobicContact CB-CB 3.91Å; Y303-P322 CarbonylContact C-O 3.48Å; Y303-P322 VanDerWaalsContact CA-O 3.31Å; Y303-P322 WeakPolarHBondContact CA-O 3.48Å; Y303-P322 VanDerWaalsContact CB-O 3.3Å; Y303-P322 WeakPolarHBondContact CB-O 3.38Å; G304-P322 PolarHBondContact N-O 2.57Å; C320-P322 WeakPolarHBondContact O-CD 3.38Å
323K87.6Confident84.5Confident98 Ų9870.7 Ų70.743%0.42634%0.336SS..THydrogen-bonded Turntrans-81.5-39.5177.6-62-133.9169.9-163.70112.8E286 P287 D321E286-K323 IonicContact OE2-NZ 2.91Å; E286-K323 PolarHBondContact OE2-NZ 3.43Å; P287-K323 WeakPolarHBondContact O-CD 3.36Å; P287-K323 WeakPolarHBondContact O-CE 3.47Å; P287-K323 VanDerWaalsContact O-CG 3.31Å; P287-K323 WeakPolarHBondContact O-CG 3.13Å; D321-K323 PolarHBondContact O-N 3.44Å; D321-K323 VanDerWaalsContact O-N 3.17Å; D321-K323 WeakPolarHBondContact OD1-CB 3.28Å; D321-K323 PolarHBondContact OD1-N 3.47Å
324T86.9Confident84.7Confident76 Ų7668.4 Ų68.447%0.46633%0.327SS..THydrogen-bonded Turntrans-117.8-12.1-169.470.20000115.7D321 K326D321-T324 VanDerWaalsContact CG-OG1 3.3Å; D321-T324 PolarHBondContact O-N 2.87Å; D321-T324 WeakPolarHBondContact OD2-CB 3.31Å; D321-T324 VanDerWaalsContact OD2-CG2 3.27Å; D321-T324 WeakPolarHBondContact OD2-CG2 3.38Å; D321-T324 PolarHBondContact OD2-N 3.26Å; D321-T324 PolarHBondContact OD2-OG1 2.03Å; T324-K326 PolarHBondContact O-N 2.9Å; T324-K326 VanDerWaalsContact OG1-CB 3.29Å; T324-K326 WeakPolarHBondContact OG1-CB 3.31Å; T324-K326 PolarHBondContact OG1-N 3.23Å
325G87Confident84.7Confident0 Ų070.8 Ų70.80%034%0.341CS..  trans72.46.3-172.700000114.5Y303 D321Y303-G325 VanDerWaalsContact CD2-CA 3.44Å; D321-G325 WeakPolarHBondContact O-CA 3.34Å; D321-G325 PolarHBondContact O-N 3.16Å
326K88.3Confident84.8Confident93 Ų9369.5 Ų69.540%0.40435%0.346SS..  trans-66.4134.5179.1177.2165-178.5162.90111.5C320 D321 T324 N337C320-K326 CarbonylContact C-O 3.59Å; C320-K326 WeakPolarHBondContact CA-O 3.02Å; D321-K326 HydrophobicContact CB-CB 4.31Å; D321-K326 PolarHBondContact N-O 3.22Å; T324-K326 PolarHBondContact O-N 2.9Å; T324-K326 VanDerWaalsContact OG1-CB 3.29Å; T324-K326 WeakPolarHBondContact OG1-CB 3.31Å; T324-K326 PolarHBondContact OG1-N 3.23Å; K326-N337 WeakPolarHBondContact CA-O 3.48Å; K326-N337 HydrophobicContact CD-CB 4.42Å; K326-N337 WeakPolarHBondContact CE-OD1 3.26Å; K326-N337 WeakPolarHBondContact CG-O 3.35Å; K326-N337 PolarHBondContact NZ-OD1 3.43Å
327C87.9Confident85Confident8 Ų868.9 Ų68.95%0.05434%0.342CS..  trans-89.7151.8169.5-58.20000110.9C314 N337 C339C314-C327 WeakPolarHBondContact CA-SG 3.3Å; C314-C327 HydrophobicContact CB-CB 3.74Å; C314-C327 WeakPolarHBondContact CB-SG 3.22Å; C314-C327 PolarHBondContact N-SG 3.01Å; C314-C327 VanDerWaalsContact N-SG 3.42Å; C314-C327 WeakPolarHBondContact SG-CB 3Å; C314-C327 CovalentContact SG-SG 2.04Å; C314-C327 PolarHBondContact SG-SG 2.03Å; C327-N337 PolarHBondContact N-O 2.04Å; C327-N337 VanDerWaalsContact N-O 3.16Å; C327-C339 WeakPolarHBondContact CB-SG 3.04Å
328W82.5Confident85.4Confident231 Ų23167 Ų6788%0.87532%0.318SS*.SBendtrans-76.6-34.7168.8-70.2101.3000112.5
329R84.3Confident86Confident106 Ų10662.9 Ų62.940%0.430%0.299SS..SBendtrans-145.7147.7174.7-170.9-177.1-1731798.8109.5C314 W315 D350C314-R329 WeakPolarHBondContact CA-O 3.23Å; W315-R329 HydrophobicContact CB-CB 3.88Å; W315-R329 HydrophobicContact CB-CG 4.02Å; W315-R329 HydrophobicContact CD2-CG 4.38Å; W315-R329 HydrophobicContact CE3-CG 4.18Å; W315-R329 HydrophobicContact CG-CG 4.32Å; W315-R329 PolarHBondContact N-O 3.49Å; R329-D350 IonicContact CZ-OD1 3.15Å; R329-D350 IonicContact CZ-OD2 2.92Å; R329-D350 IonicContact NE-OD1 2.69Å; R329-D350 PolarHBondContact NE-OD1 3.47Å; R329-D350 IonicContact NE-OD2 2.62Å; R329-D350 IonicContact NH2-OD1 2.78Å; R329-D350 PolarHBondContact NH2-OD1 2.93Å; R329-D350 IonicContact NH2-OD2 3.37Å; R329-D350 PolarHBondContact NH2-OD2 2.93Å
330C87.6Confident86.4Confident19 Ų1959.4 Ų59.413%0.12829%0.291CS..BIsolated β-bridgetrans-95.8153.2176.5-57.70000111.8W334 C339C330-W334 HydrophobicContact CB-CB 4.1Å; C330-W334 WeakPolarHBondContact CB-O 3.21Å; C330-C339 WeakPolarHBondContact CA-SG 3.16Å; C330-C339 HydrophobicContact CB-CB 3.56Å; C330-C339 WeakPolarHBondContact CB-SG 3.16Å; C330-C339 WeakPolarHBondContact SG-CA 3.43Å; C330-C339 WeakPolarHBondContact SG-CB 3.13Å; C330-C339 CovalentContact SG-SG 2.03Å; C330-C339 PolarHBondContact SG-SG 3Å
331D87.4Confident86.4Confident45 Ų4564.9 Ų64.924%0.24132%0.315CS..PPolyproline II helixtrans-56.8152.2167-78.3-32.6000111.9R313 W315 N316 G333 W334R313-D331 HydrophobicContact CB-CB 4.4Å; R313-D331 PolarHBondContact O-N 3.35Å; R313-D331 VanDerWaalsContact O-N 3.08Å; W315-D331 WeakPolarHBondContact CA-OD1 3.45Å; N316-D331 PolarHBondContact N-OD1 3.16Å; D331-G333 PolarHBondContact O-N 3.35Å; D331-W334 WeakPolarHBondContact O-CB 3.4Å; D331-W334 PolarHBondContact O-N 2.81Å
332P87.4Confident86.4Confident47 Ų4765.7 Ų65.731%0.30532%0.324SS..THydrogen-bonded Turntrans-51.7130.9178.5-27.334.7000113.3W315W315-P332 HydrophobicContact CH2-CG 4.45Å; W315-P332 HydrophobicContact CZ3-CG 3.82Å
333G86.4Confident86.4Confident0 Ų064.1 Ų64.10%031%0.313CS..THydrogen-bonded Turntrans87.41.8-177.100000115.5D331 P342 C343 G349 H366D331-G333 PolarHBondContact O-N 3.35Å; G333-P342 WeakPolarHBondContact O-CA 3.41Å; G333-C343 WeakPolarHBondContact CA-SG 3.43Å; G333-C343 PolarHBondContact O-N 2.87Å; G333-C343 PolarHBondContact O-SG 2.78Å; G333-G349 PolarHBondContact N-O 3.05Å; G333-H366 WeakPolarHBondContact CA-O 3.36Å; G333-H366 PolarHBondContact O-ND1 2.82Å
334W87.9Confident86.1Confident43 Ų4363.6 Ų63.616%0.16332%0.322CS..EExtended strand (participates in β ladder)trans-119.9153.5177.9-5987.9000112.1R313 C330 D331 C339 E340 E341 H366R313-W334 VanDerWaalsContact NH1-CZ2 3.33Å; C330-W334 HydrophobicContact CB-CB 4.1Å; C330-W334 WeakPolarHBondContact CB-O 3.21Å; D331-W334 WeakPolarHBondContact O-CB 3.4Å; D331-W334 PolarHBondContact O-N 2.81Å; W334-C339 HydrophobicContact CB-CB 4.49Å; W334-E340 WeakPolarHBondContact CZ3-O 3.21Å; W334-E341 CarbonylContact C-O 3.57Å; W334-E341 WeakPolarHBondContact CA-O 3.33Å; W334-H366 AromaticContact CE2-CE1 3.78Å; W334-H366 AromaticContact CZ2-CE1 3.66Å
335T85.6Confident85.4Confident53 Ų5364.3 Ų64.333%0.32535%0.345SS..EExtended strand (participates in β ladder)trans-151.8-177.5-174-165.50000112.2C339 E341T335-C339 VanDerWaalsContact O-CA 3.23Å; T335-C339 WeakPolarHBondContact O-CA 3.03Å; T335-C339 PolarHBondContact O-N 2.87Å; T335-E341 HydrophobicContact CG2-CB 3.91Å; T335-E341 PolarHBondContact N-O 3.13Å; T335-E341 PolarHBondContact O-N 3.42Å
336G85.3Confident85Confident29 Ų2966 Ų6630%0.29936%0.363SS..SBendtrans79.4162.4-172.300000112.6R338 C339G336-R338 PolarHBondContact O-N 3.45Å; G336-C339 PolarHBondContact O-N 2.98Å; G336-C339 VanDerWaalsContact O-N 3.08Å
337N82Confident85Confident107 Ų10763.1 Ų63.157%0.57235%0.353SS*.THydrogen-bonded Turntrans-56.6-26-175.4-73.8-69.5000114.1K326 C327K326-N337 WeakPolarHBondContact CA-O 3.48Å; K326-N337 HydrophobicContact CD-CB 4.42Å; K326-N337 WeakPolarHBondContact CE-OD1 3.26Å; K326-N337 WeakPolarHBondContact CG-O 3.35Å; K326-N337 PolarHBondContact NZ-OD1 3.43Å; C327-N337 PolarHBondContact N-O 2.04Å; C327-N337 VanDerWaalsContact N-O 3.16Å
338R83.7Confident85Confident74 Ų7466 Ų6628%0.27936%0.363SS..THydrogen-bonded Turntrans-115.813.4-179.1-72.6-179.857.6-88.3-11113Y303 P312 G336 E340Y303-R338 PolarHBondContact OH-NE 3.34Å; Y303-R338 PolarHBondContact OH-NH2 2.04Å; P312-R338 WeakPolarHBondContact CB-O 3Å; P312-R338 HydrophobicContact CG-CB 4.14Å; P312-R338 WeakPolarHBondContact CG-O 3.26Å; G336-R338 PolarHBondContact O-N 3.45Å; R338-E340 IonicContact CZ-OE1 2.83Å; R338-E340 VanDerWaalsContact CZ-OE1 3.3Å; R338-E340 IonicContact CZ-OE2 2.7Å; R338-E340 IonicContact NH1-OE1 3.22Å; R338-E340 PolarHBondContact NH1-OE1 2.82Å; R338-E340 VanDerWaalsContact NH1-OE1 3.13Å; R338-E340 IonicContact NH1-OE2 2.89Å; R338-E340 PolarHBondContact NH1-OE2 3.15Å; R338-E340 IonicContact NH2-OE1 2.67Å; R338-E340 PolarHBondContact NH2-OE1 3.17Å; R338-E340 IonicContact NH2-OE2 2.77Å; R338-E340 PolarHBondContact O-N 2.89Å
339C87.3Confident85.1Confident3 Ų355.3 Ų55.32%0.0232%0.324CS..SBendtrans55.727.1171.6-50.30000115.6R313 C327 C330 W334 T335 G336R313-C339 VanDerWaalsContact O-CB 3.31Å; R313-C339 WeakPolarHBondContact O-CB 3.19Å; C327-C339 WeakPolarHBondContact CB-SG 3.04Å; C330-C339 WeakPolarHBondContact CA-SG 3.16Å; C330-C339 HydrophobicContact CB-CB 3.56Å; C330-C339 WeakPolarHBondContact CB-SG 3.16Å; C330-C339 WeakPolarHBondContact SG-CA 3.43Å; C330-C339 WeakPolarHBondContact SG-CB 3.13Å; C330-C339 CovalentContact SG-SG 2.03Å; C330-C339 PolarHBondContact SG-SG 3Å; W334-C339 HydrophobicContact CB-CB 4.49Å; T335-C339 VanDerWaalsContact O-CA 3.23Å; T335-C339 WeakPolarHBondContact O-CA 3.03Å; T335-C339 PolarHBondContact O-N 2.87Å; G336-C339 PolarHBondContact O-N 2.98Å; G336-C339 VanDerWaalsContact O-N 3.08Å
340E87.2Confident85.2Confident110 Ų11051.8 Ų51.851%0.51431%0.313SS..  trans-98.7-14.3178.2-75.2174.8171.500112.5P312 W334 R338P312-E340 HydrophobicContact CB-CG 4.16Å; W334-E340 WeakPolarHBondContact CZ3-O 3.21Å; R338-E340 IonicContact CZ-OE1 2.83Å; R338-E340 VanDerWaalsContact CZ-OE1 3.3Å; R338-E340 IonicContact CZ-OE2 2.7Å; R338-E340 IonicContact NH1-OE1 3.22Å; R338-E340 PolarHBondContact NH1-OE1 2.82Å; R338-E340 VanDerWaalsContact NH1-OE1 3.13Å; R338-E340 IonicContact NH1-OE2 2.89Å; R338-E340 PolarHBondContact NH1-OE2 3.15Å; R338-E340 IonicContact NH2-OE1 2.67Å; R338-E340 PolarHBondContact NH2-OE1 3.17Å; R338-E340 IonicContact NH2-OE2 2.77Å; R338-E340 PolarHBondContact O-N 2.89Å
341E87.3Confident84.8Confident120 Ų12053.6 Ų53.656%0.56133%0.33SS*.EExtended strand (participates in β ladder)trans-90.4128.9178.5-63.5173.6174.900109.1W334 T335W334-E341 CarbonylContact C-O 3.57Å; W334-E341 WeakPolarHBondContact CA-O 3.33Å; T335-E341 HydrophobicContact CG2-CB 3.91Å; T335-E341 PolarHBondContact N-O 3.13Å; T335-E341 PolarHBondContact O-N 3.42Å
342P87.6Confident84.8Confident72 Ų7252.4 Ų52.447%0.46833%0.325SS..EExtended strand (participates in β ladder)trans-71.7155.1170.131.2-34.5000110.5G333 S344 H366G333-P342 WeakPolarHBondContact O-CA 3.41Å; P342-S344 PolarHBondContact O-N 3.44Å; P342-H366 HydrophobicContact CB-CB 4.4Å
343C87.6Confident84.8Confident12 Ų1259.2 Ų59.28%0.08135%0.345CS..PPolyproline II helixtrans-52.9137.7174.8-68.60000112.4G333 T347 C352 H366G333-C343 WeakPolarHBondContact CA-SG 3.43Å; G333-C343 PolarHBondContact O-N 2.87Å; G333-C343 PolarHBondContact O-SG 2.78Å; C343-T347 WeakPolarHBondContact CB-O 3.3Å; C343-C352 WeakPolarHBondContact CA-SG 3.36Å; C343-C352 HydrophobicContact CB-CB 3.75Å; C343-C352 WeakPolarHBondContact CB-SG 3.36Å; C343-C352 WeakPolarHBondContact SG-CA 3.36Å; C343-C352 WeakPolarHBondContact SG-CB 3.38Å; C343-C352 CovalentContact SG-SG 2.03Å; C343-C352 PolarHBondContact SG-SG 2.86Å; C343-H366 HydrophobicContact CB-CB 4.1Å
344S82.1Confident84.8Confident87 Ų8764.4 Ų64.461%0.60837%0.367SS*.PPolyproline II helixtrans-67.8148.8-175.752.40000111.9P342 G346 T347P342-S344 PolarHBondContact O-N 3.44Å; S344-G346 PolarHBondContact O-N 3.14Å; S344-T347 PolarHBondContact O-N 3.09Å; S344-T347 PolarHBondContact O-OG1 3.4Å
345G72.3Confident84.8Confident92 Ų9269.2 Ų69.295%0.94840%0.395SS*.THydrogen-bonded Turntrans-53.4110.5-166.100000113.8
346G78.2Confident84.9Confident36 Ų3667.9 Ų67.937%0.37139%0.388SS..THydrogen-bonded Turntrans114-3.3-175.100000114.6S344 C356S344-G346 PolarHBondContact O-N 3.14Å; G346-C356 PolarHBondContact O-N 3.28Å
347T86.9Confident84.8Confident32 Ų3270 Ų7020%0.19640%0.399CS..EExtended strand (participates in β ladder)trans-123.2153.4175.859.50000113.2C343 S344 C352 F354C343-T347 WeakPolarHBondContact CB-O 3.3Å; S344-T347 PolarHBondContact O-N 3.09Å; S344-T347 PolarHBondContact O-OG1 3.4Å; T347-C352 WeakPolarHBondContact CB-O 3.38Å; T347-F354 CarbonylContact C-O 3.57Å; T347-F354 VanDerWaalsContact CA-O 3.29Å; T347-F354 WeakPolarHBondContact CA-O 3.37Å
348Y89.1Confident85Confident68 Ų6869.3 Ų69.327%0.26740%0.4SS..EExtended strand (participates in β ladder)trans-148.7170.6178.876.6-87.6000113.8C352 F354 L355 H366 G369Y348-C352 CarbonylContact O-C 3.56Å; Y348-F354 HydrophobicContact CD1-CB 3.78Å; Y348-F354 VanDerWaalsContact CD1-O 3.31Å; Y348-F354 WeakPolarHBondContact CD1-O 3.06Å; Y348-F354 HydrophobicContact CD2-CB 4.1Å; Y348-F354 HydrophobicContact CE1-CB 3.55Å; Y348-F354 HydrophobicContact CE2-CB 3.87Å; Y348-F354 HydrophobicContact CE2-CG 4.36Å; Y348-F354 HydrophobicContact CG-CB 4.06Å; Y348-F354 PolarHBondContact N-O 2.94Å; Y348-F354 PolarHBondContact O-N 3.01Å; Y348-L355 WeakPolarHBondContact CE1-O 3.05Å; Y348-H366 CarbonylContact C-O 3.45Å; Y348-H366 WeakPolarHBondContact CA-O 3.33Å; Y348-H366 WeakPolarHBondContact CB-O 3.47Å; Y348-G369 VanDerWaalsContact CD1-CA 3.44Å; Y348-G369 VanDerWaalsContact CD2-CA 3.45Å; Y348-G369 VanDerWaalsContact CD2-N 3.33Å
349G84.2Confident85.1Confident6 Ų667.3 Ų67.36%0.06240%0.397CS..SBendtrans75.9-160.5170.300000115G333 A351 C352 H366G333-G349 PolarHBondContact N-O 3.05Å; G349-A351 PolarHBondContact O-N 3.38Å; G349-C352 PolarHBondContact O-N 2.02Å; G349-C352 VanDerWaalsContact O-N 3.17Å; G349-H366 PolarHBondContact N-O 3.23Å
350D85.7Confident85Confident32 Ų3273.3 Ų73.317%0.17142%0.423CS..G310 helixtrans-57.2127.6-177.9175.450.4000112.1W315 R329 C352 R353W315-D350 HydrophobicContact CZ3-CB 4.42Å; R329-D350 IonicContact CZ-OD1 3.15Å; R329-D350 IonicContact CZ-OD2 2.92Å; R329-D350 IonicContact NE-OD1 2.69Å; R329-D350 PolarHBondContact NE-OD1 3.47Å; R329-D350 IonicContact NE-OD2 2.62Å; R329-D350 IonicContact NH2-OD1 2.78Å; R329-D350 PolarHBondContact NH2-OD1 2.93Å; R329-D350 IonicContact NH2-OD2 3.37Å; R329-D350 PolarHBondContact NH2-OD2 2.93Å; D350-C352 PolarHBondContact O-N 3.18Å; D350-R353 WeakPolarHBondContact O-CB 3.31Å; D350-R353 PolarHBondContact O-N 2.91Å
351A80.5Confident84.9Confident58 Ų5871.7 Ų71.748%0.47942%0.415SS..G310 helixtrans46.428.6-175.800000114.6G349 R353G349-A351 PolarHBondContact O-N 3.38Å; A351-R353 HydrophobicContact CB-CG 4.13Å; A351-R353 PolarHBondContact O-N 3.06Å
352C86.7Confident84.9Confident20 Ų2066.5 Ų66.514%0.13539%0.394CS..G310 helixtrans54.429.2-176-49.10000114.5C343 T347 Y348 G349 D350C343-C352 WeakPolarHBondContact CA-SG 3.36Å; C343-C352 HydrophobicContact CB-CB 3.75Å; C343-C352 WeakPolarHBondContact CB-SG 3.36Å; C343-C352 WeakPolarHBondContact SG-CA 3.36Å; C343-C352 WeakPolarHBondContact SG-CB 3.38Å; C343-C352 CovalentContact SG-SG 2.03Å; C343-C352 PolarHBondContact SG-SG 2.86Å; T347-C352 WeakPolarHBondContact CB-O 3.38Å; Y348-C352 CarbonylContact O-C 3.56Å; G349-C352 PolarHBondContact O-N 2.02Å; G349-C352 VanDerWaalsContact O-N 3.17Å; D350-C352 PolarHBondContact O-N 3.18Å
353R87.3Confident84.8Confident190 Ų19069 Ų6972%0.71740%0.403SS*.  trans-77.6-19.2-171.9-74.6176161.9-172.1-6.9115D350 A351D350-R353 WeakPolarHBondContact O-CB 3.31Å; D350-R353 PolarHBondContact O-N 2.91Å; A351-R353 HydrophobicContact CB-CG 4.13Å; A351-R353 PolarHBondContact O-N 3.06Å
354F87.1Confident84.9Confident109 Ų10969.9 Ų69.948%0.47841%0.409SS..EExtended strand (participates in β ladder)trans-96.6130.5-175.3-56.1-83.2000110.4T347 Y348T347-F354 CarbonylContact C-O 3.57Å; T347-F354 VanDerWaalsContact CA-O 3.29Å; T347-F354 WeakPolarHBondContact CA-O 3.37Å; Y348-F354 HydrophobicContact CD1-CB 3.78Å; Y348-F354 VanDerWaalsContact CD1-O 3.31Å; Y348-F354 WeakPolarHBondContact CD1-O 3.06Å; Y348-F354 HydrophobicContact CD2-CB 4.1Å; Y348-F354 HydrophobicContact CE1-CB 3.55Å; Y348-F354 HydrophobicContact CE2-CB 3.87Å; Y348-F354 HydrophobicContact CE2-CG 4.36Å; Y348-F354 HydrophobicContact CG-CB 4.06Å; Y348-F354 PolarHBondContact N-O 2.94Å; Y348-F354 PolarHBondContact O-N 3.01Å
355L87.8Confident85.1Confident143 Ų14369.1 Ų69.175%0.74940%0.396SS*.EExtended strand (participates in β ladder)trans-81.9133175.9-80.972.8000110.3Y348Y348-L355 WeakPolarHBondContact CE1-O 3.05Å
356C86.6Confident85.8Confident25 Ų2567 Ų6717%0.16936%0.361CS..PPolyproline II helixtrans-66.3146.3174.7-64.10000112.1G346 C364G346-C356 PolarHBondContact O-N 3.28Å; C356-C364 HydrophobicContact CB-CB 3.53Å; C356-C364 WeakPolarHBondContact CB-SG 3.42Å; C356-C364 WeakPolarHBondContact SG-CB 3.45Å; C356-C364 CovalentContact SG-SG 2.02Å; C356-C364 PolarHBondContact SG-SG 3.39Å
357S84.4Confident86.3Confident75 Ų7567.9 Ų67.952%0.52436%0.359SS..PPolyproline II helixtrans-64.1152.5162.9-57.40000110.9C359S357-C359 PolarHBondContact O-N 3.48Å
358P85Confident86.3Confident92 Ų9269.8 Ų69.860%0.59737%0.371SS*.PPolyproline II helixtrans-64.6124178.525.6-33.9000111.3S381P358-S381 WeakPolarHBondContact O-CB 3.48Å
359C86.6Confident86.1Confident32 Ų3267 Ų6722%0.21636%0.363CS..PPolyproline II helixtrans-102.8117.7172.5-50.30000108.5S357 G362 C371S357-C359 PolarHBondContact O-N 3.48Å; C359-G362 VanDerWaalsContact CB-O 3.23Å; C359-G362 WeakPolarHBondContact CB-O 3.29Å; C359-C371 WeakPolarHBondContact CA-SG 3.37Å; C359-C371 HydrophobicContact CB-CB 3.76Å; C359-C371 WeakPolarHBondContact CB-SG 2.99Å; C359-C371 VanDerWaalsContact SG-CA 3.54Å; C359-C371 WeakPolarHBondContact SG-CB 3.44Å; C359-C371 CovalentContact SG-SG 2.03Å; C359-C371 PolarHBondContact SG-SG 2.9Å
360F85Confident86.3Confident128 Ų12876 Ų7656%0.56140%0.395SS*.SBendtrans-80.8-52.9-176.5-66.1-81.5000112.1S381 N383F360-S381 PolarHBondContact N-O 3.08Å; F360-N383 HydrophobicContact CD2-CB 4.03Å
361H85.8Confident86.4Confident77 Ų7775.4 Ų75.436%0.35639%0.393SS..SBendtrans-116.354.5176.9-61-79.5000111.4Q374 F377 C382H361-Q374 WeakPolarHBondContact O-CG 3.48Å; H361-Q374 PolarHBondContact O-N 2.87Å; H361-F377 HydrophobicContact CB-CB 4.14Å; H361-F377 HydrophobicContact CB-CD1 3.74Å; H361-F377 HydrophobicContact CB-CD2 3.71Å; H361-F377 HydrophobicContact CB-CE1 4Å; H361-F377 HydrophobicContact CB-CE2 3.98Å; H361-F377 HydrophobicContact CB-CG 3.58Å; H361-F377 HydrophobicContact CB-CZ 4.12Å; H361-F377 AromaticContact CD2-CD1 3.7Å; H361-F377 AromaticContact CD2-CE1 3.4Å; H361-F377 WeakPolarHBondContact CD2-CE1 3.03Å; H361-F377 AromaticContact CD2-CZ 3.93Å; H361-F377 AromaticContact CG-CD1 3.76Å; H361-F377 AromaticContact CG-CE1 3.53Å; H361-F377 AromaticContact CG-CE2 3.99Å; H361-F377 AromaticContact CG-CZ 3.66Å; H361-F377 AromaticContact ND1-CZ 3.73Å; H361-F377 AromaticContact NE2-CE1 3.84Å; H361-C382 HydrophobicContact CB-CB 4.46Å; H361-C382 WeakPolarHBondContact CB-O 3.46Å; H361-C382 PolarHBondContact N-O 2.76Å
362G85.6Confident86.7Confident11 Ų1176.4 Ų76.411%0.11339%0.393CS..EExtended strand (participates in β ladder)trans-176.7173.1-178.300000113.5C359 V372C359-G362 VanDerWaalsContact CB-O 3.23Å; C359-G362 WeakPolarHBondContact CB-O 3.29Å; G362-V372 CarbonylContact C-O 3.52Å; G362-V372 WeakPolarHBondContact CA-O 3.01Å
363N87.1Confident86.8Confident123 Ų12375.8 Ų75.866%0.65839%0.389SS*.EExtended strand (participates in β ladder)trans-109.8145.6175.5-71.813.5000110.2V372N363-V372 PolarHBondContact N-O 3.12Å; N363-V372 PolarHBondContact O-N 3.06Å
364C88.2Confident86.8Confident32 Ų3271.4 Ų71.422%0.21638%0.376CS..EExtended strand (participates in β ladder)trans-69.5138.6171.3-178.70000111.8C356 H366 G369C356-C364 HydrophobicContact CB-CB 3.53Å; C356-C364 WeakPolarHBondContact CB-SG 3.42Å; C356-C364 WeakPolarHBondContact SG-CB 3.45Å; C356-C364 CovalentContact SG-SG 2.02Å; C356-C364 PolarHBondContact SG-SG 3.39Å; C364-H366 PolarHBondContact O-N 3.41Å; C364-G369 PolarHBondContact SG-O 3.47Å
365H88.1Confident86.8Confident71 Ų7167.2 Ų67.233%0.32936%0.36SS..  trans-81.9106.6176.7-168.2-63.9000111.3V367 T368 G369 R370 V372H365-V367 PolarHBondContact ND1-N 3.38Å; H365-V367 PolarHBondContact O-N 2.82Å; H365-T368 WeakPolarHBondContact CB-OG1 3.36Å; H365-T368 PolarHBondContact ND1-OG1 3.47Å; H365-T368 PolarHBondContact O-N 3.46Å; H365-G369 PolarHBondContact O-N 2.86Å; H365-R370 VanDerWaalsContact CB-O 3.3Å; H365-R370 WeakPolarHBondContact CB-O 3.49Å; H365-R370 PolarHBondContact N-O 3.44Å; H365-V372 HydrophobicContact CB-CG2 4.01Å
366H86.8Confident86.7Confident48 Ų4860.4 Ų60.422%0.22232%0.324CS..THydrogen-bonded Turntrans-46.4-33.3-176.267.5114000116.2G333 W334 P342 C343 Y348 G349 C364G333-H366 WeakPolarHBondContact CA-O 3.36Å; G333-H366 PolarHBondContact O-ND1 2.82Å; W334-H366 AromaticContact CE2-CE1 3.78Å; W334-H366 AromaticContact CZ2-CE1 3.66Å; P342-H366 HydrophobicContact CB-CB 4.4Å; C343-H366 HydrophobicContact CB-CB 4.1Å; Y348-H366 CarbonylContact C-O 3.45Å; Y348-H366 WeakPolarHBondContact CA-O 3.33Å; Y348-H366 WeakPolarHBondContact CB-O 3.47Å; G349-H366 PolarHBondContact N-O 3.23Å; C364-H366 PolarHBondContact O-N 3.41Å
367V88.1Confident86.7Confident53 Ų5361 Ų6132%0.32132%0.324SS..THydrogen-bonded Turntrans-78.5-40.1174.4-1730000113.7H365H365-V367 PolarHBondContact ND1-N 3.38Å; H365-V367 PolarHBondContact O-N 2.82Å
368T87.1Confident86.8Confident73 Ų7360.4 Ų60.445%0.44831%0.313SS..THydrogen-bonded Turntrans-118.8-6.5-160.961.60000115.2H365 R370H365-T368 WeakPolarHBondContact CB-OG1 3.36Å; H365-T368 PolarHBondContact ND1-OG1 3.47Å; H365-T368 PolarHBondContact O-N 3.46Å; T368-R370 PolarHBondContact O-N 2.57Å; T368-R370 VanDerWaalsContact O-N 3.12Å
369G85.6Confident86.8Confident9 Ų958 Ų589%0.09331%0.305CS..  trans74.4-7.7177.900000115.9Y348 C364 H365Y348-G369 VanDerWaalsContact CD1-CA 3.44Å; Y348-G369 VanDerWaalsContact CD2-CA 3.45Å; Y348-G369 VanDerWaalsContact CD2-N 3.33Å; C364-G369 PolarHBondContact SG-O 3.47Å; H365-G369 PolarHBondContact O-N 2.86Å
370R87.3Confident86.7Confident196 Ų19665.2 Ų65.274%0.7434%0.335SS*.  trans-78.3145.2-179.2-66.7-179.2173.8173-2.3111.6H365 T368H365-R370 VanDerWaalsContact CB-O 3.3Å; H365-R370 WeakPolarHBondContact CB-O 3.49Å; H365-R370 PolarHBondContact N-O 3.44Å; T368-R370 PolarHBondContact O-N 2.57Å; T368-R370 VanDerWaalsContact O-N 3.12Å
371C87.8Confident86.7Confident19 Ų1961.2 Ų61.213%0.12832%0.323CS..EExtended strand (participates in β ladder)trans-72.8131.3172.5-60.80000111.5C359 E380 C382C359-C371 WeakPolarHBondContact CA-SG 3.37Å; C359-C371 HydrophobicContact CB-CB 3.76Å; C359-C371 WeakPolarHBondContact CB-SG 2.99Å; C359-C371 VanDerWaalsContact SG-CA 3.54Å; C359-C371 WeakPolarHBondContact SG-CB 3.44Å; C359-C371 CovalentContact SG-SG 2.03Å; C359-C371 PolarHBondContact SG-SG 2.9Å; C371-E380 VanDerWaalsContact CB-O 3.26Å; C371-E380 WeakPolarHBondContact CB-O 3.42Å; C371-E380 PolarHBondContact SG-O 3.45Å; C371-C382 VanDerWaalsContact CB-SG 3.51Å
372V87.6Confident86.8Confident79 Ų7957.5 Ų57.548%0.47931%0.306SS..EExtended strand (participates in β ladder)trans-97.8107.2170-176.90000107.7G362 N363 H365G362-V372 CarbonylContact C-O 3.52Å; G362-V372 WeakPolarHBondContact CA-O 3.01Å; N363-V372 PolarHBondContact N-O 3.12Å; N363-V372 PolarHBondContact O-N 3.06Å; H365-V372 HydrophobicContact CB-CG2 4.01Å
373C88.3Confident87Confident7 Ų761.7 Ų61.75%0.04733%0.326CS..EExtended strand (participates in β ladder)trans-74.8149-172.8-53.60000113.1F377 C382C373-F377 HydrophobicContact CB-CB 4.28Å; C373-F377 WeakPolarHBondContact CB-O 3.42Å; C373-C382 WeakPolarHBondContact CA-SG 3.45Å; C373-C382 HydrophobicContact CB-CB 3.75Å; C373-C382 WeakPolarHBondContact CB-SG 3.02Å; C373-C382 PolarHBondContact N-SG 3.28Å; C373-C382 VanDerWaalsContact SG-CA 3.52Å; C373-C382 WeakPolarHBondContact SG-CB 3.33Å; C373-C382 CovalentContact SG-SG 2.04Å; C373-C382 PolarHBondContact SG-SG 2.79Å
374Q88.1Confident86.9Confident98 Ų9860.2 Ų60.246%0.45832%0.318SS..PPolyproline II helixtrans-68.7154.4166.1-64.2-178.55.100109.8H361 G376 F377H361-Q374 WeakPolarHBondContact O-CG 3.48Å; H361-Q374 PolarHBondContact O-N 2.87Å; Q374-G376 PolarHBondContact O-N 2.99Å; Q374-F377 HydrophobicContact CB-CD2 4.38Å; Q374-F377 PolarHBondContact O-N 2.94Å; Q374-F377 VanDerWaalsContact O-N 3.15Å
375P86.8Confident86.8Confident21 Ų2162.4 Ų62.414%0.13633%0.33CS..THydrogen-bonded Turntrans-59.8139.2180-12.724.3000110.5G392 L393 V410P375-G392 WeakPolarHBondContact CA-O 3.32Å; P375-L393 HydrophobicContact CB-CD2 4.27Å; P375-L393 HydrophobicContact CB-CG 4.27Å; P375-L393 HydrophobicContact CG-CD2 3.75Å; P375-L393 HydrophobicContact CG-CG 4.01Å; P375-V410 HydrophobicContact CB-CG1 4.22Å
376G84.9Confident86.7Confident0 Ų059.6 Ų59.60%032%0.318CS..THydrogen-bonded Turntrans89.8-1.8-173.400000115.2Q374 T385 C386 G392 P409Q374-G376 PolarHBondContact O-N 2.99Å; G376-T385 CarbonylContact O-C 3.47Å; G376-T385 VanDerWaalsContact O-CA 3.32Å; G376-T385 WeakPolarHBondContact O-CA 3.32Å; G376-T385 WeakPolarHBondContact O-CG2 3.28Å; G376-C386 WeakPolarHBondContact CA-SG 3.25Å; G376-C386 PolarHBondContact O-N 2.8Å; G376-G392 PolarHBondContact N-O 3.04Å; G376-P409 WeakPolarHBondContact CA-O 3.47Å; G376-P409 PolarHBondContact N-O 3.11Å
377F87.5Confident86.7Confident38 Ų3860.3 Ų60.317%0.16733%0.327CS..EExtended strand (participates in β ladder)trans-126.6152176.8-62.5-89.5000112.5H361 C373 Q374 N384H361-F377 HydrophobicContact CB-CB 4.14Å; H361-F377 HydrophobicContact CB-CD1 3.74Å; H361-F377 HydrophobicContact CB-CD2 3.71Å; H361-F377 HydrophobicContact CB-CE1 4Å; H361-F377 HydrophobicContact CB-CE2 3.98Å; H361-F377 HydrophobicContact CB-CG 3.58Å; H361-F377 HydrophobicContact CB-CZ 4.12Å; H361-F377 AromaticContact CD2-CD1 3.7Å; H361-F377 AromaticContact CD2-CE1 3.4Å; H361-F377 WeakPolarHBondContact CD2-CE1 3.03Å; H361-F377 AromaticContact CD2-CZ 3.93Å; H361-F377 AromaticContact CG-CD1 3.76Å; H361-F377 AromaticContact CG-CE1 3.53Å; H361-F377 AromaticContact CG-CE2 3.99Å; H361-F377 AromaticContact CG-CZ 3.66Å; H361-F377 AromaticContact ND1-CZ 3.73Å; H361-F377 AromaticContact NE2-CE1 3.84Å; C373-F377 HydrophobicContact CB-CB 4.28Å; C373-F377 WeakPolarHBondContact CB-O 3.42Å; Q374-F377 HydrophobicContact CB-CD2 4.38Å; Q374-F377 PolarHBondContact O-N 2.94Å; Q374-F377 VanDerWaalsContact O-N 3.15Å; F377-N384 CarbonylContact C-O 3.54Å; F377-N384 WeakPolarHBondContact CA-O 3.5Å
378Q86.3Confident86.3Confident62 Ų6261.3 Ų61.329%0.2934%0.341SS..EExtended strand (participates in β ladder)trans-150.6179.1-179.961.6166.815.700112.8C382 N384 P387 C395Q378-C382 WeakPolarHBondContact O-CA 3.49Å; Q378-N384 HydrophobicContact CG-CB 4.28Å; Q378-N384 PolarHBondContact N-O 2.68Å; Q378-N384 PolarHBondContact O-N 2.9Å; Q378-P387 VanDerWaalsContact NE2-CD 3.29Å; Q378-C395 VanDerWaalsContact CG-SG 3.56Å
379G84.6Confident86.1Confident41 Ų4161 Ų6142%0.42334%0.341SS..SBendtrans87.4161.2-175.300000112.4S381 C382G379-S381 PolarHBondContact O-N 3.32Å; G379-S381 VanDerWaalsContact O-N 3.13Å; G379-C382 PolarHBondContact O-N 2.04Å
380E84.2Confident86.2Confident184 Ų18463.1 Ų63.186%0.8635%0.35SS*.THydrogen-bonded Turntrans-60.8-28.5-168.2-60-170.712800114.5C371C371-E380 VanDerWaalsContact CB-O 3.26Å; C371-E380 WeakPolarHBondContact CB-O 3.42Å; C371-E380 PolarHBondContact SG-O 3.45Å
381S85.9Confident86.2Confident43 Ų4356 Ų5630%0.30132%0.324SS..THydrogen-bonded Turntrans-103.56.6175-51.90000113.9P358 F360 G379 N383P358-S381 WeakPolarHBondContact O-CB 3.48Å; F360-S381 PolarHBondContact N-O 3.08Å; G379-S381 PolarHBondContact O-N 3.32Å; G379-S381 VanDerWaalsContact O-N 3.13Å; S381-N383 VanDerWaalsContact C-N 3.26Å; S381-N383 PolarHBondContact O-N 2.53Å
382C87.7Confident86Confident0 Ų055.5 Ų55.50%032%0.323CS..SBendtrans53.338.3-173.8-51.80000114.1H361 C371 C373 Q378 G379H361-C382 HydrophobicContact CB-CB 4.46Å; H361-C382 WeakPolarHBondContact CB-O 3.46Å; H361-C382 PolarHBondContact N-O 2.76Å; C371-C382 VanDerWaalsContact CB-SG 3.51Å; C373-C382 WeakPolarHBondContact CA-SG 3.45Å; C373-C382 HydrophobicContact CB-CB 3.75Å; C373-C382 WeakPolarHBondContact CB-SG 3.02Å; C373-C382 PolarHBondContact N-SG 3.28Å; C373-C382 VanDerWaalsContact SG-CA 3.52Å; C373-C382 WeakPolarHBondContact SG-CB 3.33Å; C373-C382 CovalentContact SG-SG 2.04Å; C373-C382 PolarHBondContact SG-SG 2.79Å; Q378-C382 WeakPolarHBondContact O-CA 3.49Å; G379-C382 PolarHBondContact O-N 2.04Å
383N89.4Confident85.8Confident98 Ų9854.3 Ų54.352%0.52431%0.313SS..  trans-92.6-19.7-177.8-165.644.1000113.3F360 S381F360-N383 HydrophobicContact CD2-CB 4.03Å; S381-N383 VanDerWaalsContact C-N 3.26Å; S381-N383 PolarHBondContact O-N 2.53Å
384N85.3Confident85.5Confident93 Ų9359.2 Ų59.250%0.49734%0.339SS..EExtended strand (participates in β ladder)trans-99.9126.1-174.7-62.6-18.8000110F377 Q378F377-N384 CarbonylContact C-O 3.54Å; F377-N384 WeakPolarHBondContact CA-O 3.5Å; Q378-N384 HydrophobicContact CG-CB 4.28Å; Q378-N384 PolarHBondContact N-O 2.68Å; Q378-N384 PolarHBondContact O-N 2.9Å
385T85.4Confident85.3Confident77 Ų7754.8 Ų54.847%0.47232%0.319SS..EExtended strand (participates in β ladder)trans-62.5154.1167.1-43.60000110.6G376 P409G376-T385 CarbonylContact O-C 3.47Å; G376-T385 VanDerWaalsContact O-CA 3.32Å; G376-T385 WeakPolarHBondContact O-CA 3.32Å; G376-T385 WeakPolarHBondContact O-CG2 3.28Å; T385-P409 HydrophobicContact CG2-CB 3.94Å; T385-P409 HydrophobicContact CG2-CG 3.67Å
386C86.9Confident85.4Confident12 Ų1258.2 Ų58.28%0.08134%0.343CS..PPolyproline II helixtrans-58128.9172.7-640000111.4G376 L390 C395 P409G376-C386 WeakPolarHBondContact CA-SG 3.25Å; G376-C386 PolarHBondContact O-N 2.8Å; C386-L390 VanDerWaalsContact CB-O 3.24Å; C386-L390 WeakPolarHBondContact CB-O 3.24Å; C386-C395 WeakPolarHBondContact CA-SG 3.33Å; C386-C395 HydrophobicContact CB-CB 3.75Å; C386-C395 WeakPolarHBondContact CB-SG 3.4Å; C386-C395 WeakPolarHBondContact SG-CA 3.05Å; C386-C395 WeakPolarHBondContact SG-CB 3.2Å; C386-C395 CovalentContact SG-SG 2.03Å; C386-C395 PolarHBondContact SG-SG 3.41Å; C386-P409 HydrophobicContact CB-CB 3.92Å
387P85.3Confident85.4Confident63 Ų6360.3 Ų60.341%0.40936%0.358SS..PPolyproline II helixtrans-72142.8173.330.6-34.1000109.4Q378 L390Q378-P387 VanDerWaalsContact NE2-CD 3.29Å; P387-L390 HydrophobicContact CG-CD1 4.4Å; P387-L390 WeakPolarHBondContact O-CA 3.01Å; P387-L390 WeakPolarHBondContact O-CB 2.99Å; P387-L390 PolarHBondContact O-N 2.03Å
388A81.3Confident85.4Confident74 Ų7463.3 Ų63.361%0.61238%0.379SS*.THydrogen-bonded Turntrans-62.8139169.600000109.9
389P82.8Confident85.3Confident68 Ų6861 Ų6144%0.44237%0.37SS..THydrogen-bonded Turncis-101.754.56.740-34.3000113.1V398 C399P389-V398 HydrophobicContact CG-CG1 4.43Å; P389-V398 CarbonylContact O-C 3.54Å; P389-V398 WeakPolarHBondContact O-CA 3.43Å; P389-C399 HydrophobicContact CB-CB 4.02Å; P389-C399 PolarHBondContact O-N 3.25Å; P389-C399 PolarHBondContact O-SG 3.22Å
390L86.8Confident85.1Confident53 Ų5366.5 Ų66.528%0.27739%0.39SS..EExtended strand (participates in β ladder)trans-118.4149.7-179.4-61172000113.4C386 P387 C395 S397 V398C386-L390 VanDerWaalsContact CB-O 3.24Å; C386-L390 WeakPolarHBondContact CB-O 3.24Å; P387-L390 HydrophobicContact CG-CD1 4.4Å; P387-L390 WeakPolarHBondContact O-CA 3.01Å; P387-L390 WeakPolarHBondContact O-CB 2.99Å; P387-L390 PolarHBondContact O-N 2.03Å; L390-C395 HydrophobicContact CB-CB 4Å; L390-C395 HydrophobicContact CD1-CB 4.49Å; L390-S397 CarbonylContact C-O 3.5Å; L390-S397 VanDerWaalsContact CA-O 3.3Å; L390-S397 WeakPolarHBondContact CA-O 3.22Å; L390-V398 HydrophobicContact CD2-CG2 3.84Å
391F87.3Confident84.8Confident45 Ų4559 Ų5920%0.19736%0.357CS..EExtended strand (participates in β ladder)trans-148.9172.3178.677.9-87.8000113.2C395 S396 S397 V398 C407 P409 G412F391-C395 CarbonylContact O-C 3.49Å; F391-C395 WeakPolarHBondContact O-CA 3.22Å; F391-S396 PolarHBondContact O-N 3Å; F391-S397 WeakPolarHBondContact CD1-O 3.26Å; F391-S397 PolarHBondContact N-O 2.89Å; F391-S397 WeakPolarHBondContact O-CB 3.07Å; F391-S397 PolarHBondContact O-N 3.16Å; F391-S397 VanDerWaalsContact O-N 3.1Å; F391-V398 WeakPolarHBondContact CE1-O 2.98Å; F391-C407 VanDerWaalsContact CD1-SG 3.55Å; F391-P409 CarbonylContact C-O 3.47Å; F391-P409 VanDerWaalsContact CA-O 3.28Å; F391-P409 WeakPolarHBondContact CA-O 3.31Å; F391-P409 VanDerWaalsContact CB-O 3.3Å; F391-P409 WeakPolarHBondContact CB-O 3.26Å; F391-G412 VanDerWaalsContact CD2-CA 3.45Å; F391-G412 VanDerWaalsContact CD2-N 3.33Å
392G83.6Confident84Confident10 Ų1059.5 Ų59.510%0.10337%0.368CS..SBendtrans87.4-162172.600000114.6P375 G376 N394 C395 P409P375-G392 WeakPolarHBondContact CA-O 3.32Å; G376-G392 PolarHBondContact N-O 3.04Å; G392-N394 PolarHBondContact O-N 3.44Å; G392-C395 PolarHBondContact O-N 2.94Å; G392-P409 PolarHBondContact N-O 2.99Å
393L84.1Confident83Confident53 Ų5369.1 Ų69.128%0.27741%0.414SS..G310 helixtrans-68.8128.7179.1-74.3164000110.3P375 C395 S396P375-L393 HydrophobicContact CB-CD2 4.27Å; P375-L393 HydrophobicContact CB-CG 4.27Å; P375-L393 HydrophobicContact CG-CD2 3.75Å; P375-L393 HydrophobicContact CG-CG 4.01Å; L393-C395 PolarHBondContact O-N 3.23Å; L393-S396 PolarHBondContact O-N 2.6Å; L393-S396 PolarHBondContact O-OG 2.96Å
394N81.3Confident81.9Confident110 Ų11068.6 Ų68.659%0.58843%0.431SS*.G310 helixtrans48.328.4-172.7-64.3-6.7000113.9G392 S396G392-N394 PolarHBondContact O-N 3.44Å; N394-S396 PolarHBondContact O-N 2.97Å
395C84.8Confident81.3Confident6 Ų667.1 Ų67.14%0.04143%0.425CS..G310 helixtrans54.235179.1-47.60000114.1Q378 C386 L390 F391 G392 L393Q378-C395 VanDerWaalsContact CG-SG 3.56Å; C386-C395 WeakPolarHBondContact CA-SG 3.33Å; C386-C395 HydrophobicContact CB-CB 3.75Å; C386-C395 WeakPolarHBondContact CB-SG 3.4Å; C386-C395 WeakPolarHBondContact SG-CA 3.05Å; C386-C395 WeakPolarHBondContact SG-CB 3.2Å; C386-C395 CovalentContact SG-SG 2.03Å; C386-C395 PolarHBondContact SG-SG 3.41Å; L390-C395 HydrophobicContact CB-CB 4Å; L390-C395 HydrophobicContact CD1-CB 4.49Å; F391-C395 CarbonylContact O-C 3.49Å; F391-C395 WeakPolarHBondContact O-CA 3.22Å; G392-C395 PolarHBondContact O-N 2.94Å; L393-C395 PolarHBondContact O-N 3.23Å
396S87.1Confident80.8Confident93 Ų9365 Ų6565%0.6542%0.419SS*.  trans-83.5-9.8-172520000115.4F391 L393 N394F391-S396 PolarHBondContact O-N 3Å; L393-S396 PolarHBondContact O-N 2.6Å; L393-S396 PolarHBondContact O-OG 2.96Å; N394-S396 PolarHBondContact O-N 2.97Å
397S86.6Confident80.6Confident44 Ų4465.2 Ų65.231%0.30842%0.421SS..EExtended strand (participates in β ladder)trans-106.6138-179.5-59.20000111.5L390 F391L390-S397 CarbonylContact C-O 3.5Å; L390-S397 VanDerWaalsContact CA-O 3.3Å; L390-S397 WeakPolarHBondContact CA-O 3.22Å; F391-S397 WeakPolarHBondContact CD1-O 3.26Å; F391-S397 PolarHBondContact N-O 2.89Å; F391-S397 WeakPolarHBondContact O-CB 3.07Å; F391-S397 PolarHBondContact O-N 3.16Å; F391-S397 VanDerWaalsContact O-N 3.1Å
398V86.8Confident80.5Confident100 Ų10066.9 Ų66.961%0.60642%0.423SS*.EExtended strand (participates in β ladder)trans-91134.1178.3-176.20000111.1P389 L390 F391P389-V398 HydrophobicContact CG-CG1 4.43Å; P389-V398 CarbonylContact O-C 3.54Å; P389-V398 WeakPolarHBondContact O-CA 3.43Å; L390-V398 HydrophobicContact CD2-CG2 3.84Å; F391-V398 WeakPolarHBondContact CE1-O 2.98Å
399C83.8Confident80.6Confident14 Ų1464.9 Ų64.910%0.09540%0.403CS..  trans-66.5127.1174.1-57.90000111.6P389 C407P389-C399 HydrophobicContact CB-CB 4.02Å; P389-C399 PolarHBondContact O-N 3.25Å; P389-C399 PolarHBondContact O-SG 3.22Å; C399-C407 HydrophobicContact CB-CB 3.56Å; C399-C407 WeakPolarHBondContact CB-SG 3.46Å; C399-C407 WeakPolarHBondContact SG-CB 3.02Å; C399-C407 PolarHBondContact SG-N 2.67Å; C399-C407 CovalentContact SG-SG 2.03Å; C399-C407 PolarHBondContact SG-SG 2.95Å
400D81.7Confident80.7Confident157 Ų15764.6 Ų64.684%0.8440%0.4SS*.  trans-103.672.6171.2-170.716.2000110.7C414D400-C414 PolarHBondContact O-SG 2.8Å
401C77.1Confident80.5Confident27 Ų2766.3 Ų66.318%0.18241%0.413CS..SBendtrans-120.39.2-176.2-58.60000114.2V405 C407 C414C401-V405 HydrophobicContact CB-CB 4.11Å; C401-V405 HydrophobicContact CB-CG1 4.01Å; C401-C407 WeakPolarHBondContact SG-CB 3.46Å; C401-C414 WeakPolarHBondContact CA-SG 2.98Å; C401-C414 HydrophobicContact CB-CB 3.82Å; C401-C414 WeakPolarHBondContact CB-SG 3.01Å; C401-C414 VanDerWaalsContact SG-CA 3.54Å; C401-C414 WeakPolarHBondContact SG-CB 3.17Å; C401-C414 CovalentContact SG-SG 2.03Å; C401-C414 PolarHBondContact SG-SG 2.03Å
402G68.3Low80.2Confident52 Ų5265 Ų6554%0.53641%0.412SS..SBendtrans87.4166.8-170.700000113.9G404 V405G402-G404 PolarHBondContact O-N 2.9Å; G402-V405 PolarHBondContact O-N 3.28Å
403E67.9Low80.1Confident203 Ų20367.2 Ų67.295%0.94943%0.43SS*.THydrogen-bonded Turntrans-63.9123.6-168.6-159.1167.4-152.900112.1V405E403-V405 VanDerWaalsContact C-N 3.31Å; E403-V405 PolarHBondContact O-N 2.85Å
404G65.8Low80Confident87 Ų8766.9 Ų66.990%0.89743%0.431SS*.THydrogen-bonded Turntrans77.6-2.2-179.900000116.6G402G402-G404 PolarHBondContact O-N 2.9Å
405V72.1Confident79.6Confident61 Ų6165.8 Ų65.837%0.3743%0.43SS..  trans-95.1115.1-177.4-176.30000111.5C401 G402 E403 P415C401-V405 HydrophobicContact CB-CB 4.11Å; C401-V405 HydrophobicContact CB-CG1 4.01Å; G402-V405 PolarHBondContact O-N 3.28Å; E403-V405 VanDerWaalsContact C-N 3.31Å; E403-V405 PolarHBondContact O-N 2.85Å; V405-P415 HydrophobicContact CG1-CG 4.37Å
406G76.3Confident78.7Confident33 Ų3376.1 Ų76.134%0.3447%0.47SS..PPolyproline II helixtrans-71.8142.5173.900000113.3
407C81.6Confident77.3Confident17 Ų1776.8 Ų76.812%0.11547%0.474CS..PPolyproline II helixtrans-97.9168171.772.50000112.4F391 C399 C401 G412F391-C407 VanDerWaalsContact CD1-SG 3.55Å; C399-C407 HydrophobicContact CB-CB 3.56Å; C399-C407 WeakPolarHBondContact CB-SG 3.46Å; C399-C407 WeakPolarHBondContact SG-CB 3.02Å; C399-C407 PolarHBondContact SG-N 2.67Å; C399-C407 CovalentContact SG-SG 2.03Å; C399-C407 PolarHBondContact SG-SG 2.95Å; C401-C407 WeakPolarHBondContact SG-CB 3.46Å; C407-G412 WeakPolarHBondContact CB-O 3.25Å
408H84.3Confident76.1Confident98 Ų9877.7 Ų77.745%0.45449%0.49SS..PPolyproline II helixtrans-65118.8176.4-176.7-107.5000111.1V410 T411 G412 A413H408-V410 PolarHBondContact O-N 3.49Å; H408-V410 VanDerWaalsContact O-N 3.08Å; H408-T411 PolarHBondContact ND1-OG1 3.19Å; H408-T411 PolarHBondContact O-N 3.3Å; H408-T411 VanDerWaalsContact O-N 3.07Å; H408-G412 PolarHBondContact O-N 2.87Å; H408-A413 HydrophobicContact CB-CB 4.22Å; H408-A413 PolarHBondContact N-O 2.02Å
409P81.8Confident74.7Confident31 Ų3183.6 Ų83.620%0.20150%0.502CS..THydrogen-bonded Turntrans-66.1-22.6-163.224.8-35.6000114.1G376 T385 C386 F391 G392G376-P409 WeakPolarHBondContact CA-O 3.47Å; G376-P409 PolarHBondContact N-O 3.11Å; T385-P409 HydrophobicContact CG2-CB 3.94Å; T385-P409 HydrophobicContact CG2-CG 3.67Å; C386-P409 HydrophobicContact CB-CB 3.92Å; F391-P409 CarbonylContact C-O 3.47Å; F391-P409 VanDerWaalsContact CA-O 3.28Å; F391-P409 WeakPolarHBondContact CA-O 3.31Å; F391-P409 VanDerWaalsContact CB-O 3.3Å; F391-P409 WeakPolarHBondContact CB-O 3.26Å; G392-P409 PolarHBondContact N-O 2.99Å
410V85.9Confident73.4Confident63 Ų6385.5 Ų85.538%0.38252%0.524SS..THydrogen-bonded Turntrans-84.2-30.1178.7-170.50000112.3P375 H408P375-V410 HydrophobicContact CB-CG1 4.22Å; H408-V410 PolarHBondContact O-N 3.49Å; H408-V410 VanDerWaalsContact O-N 3.08Å
411T82.3Confident72.3Confident89 Ų8981.8 Ų81.855%0.54652%0.515SS..THydrogen-bonded Turntrans-132.1-7.5-163.661.40000116.1H408 A413H408-T411 PolarHBondContact ND1-OG1 3.19Å; H408-T411 PolarHBondContact O-N 3.3Å; H408-T411 VanDerWaalsContact O-N 3.07Å; T411-A413 VanDerWaalsContact C-N 3.27Å; T411-A413 PolarHBondContact O-N 2.92Å
412G80.9Confident71.5Confident17 Ų1785.6 Ų85.618%0.17554%0.537CS..  trans78.80.8-179.600000115.4F391 C407 H408 C414F391-G412 VanDerWaalsContact CD2-CA 3.45Å; F391-G412 VanDerWaalsContact CD2-N 3.33Å; C407-G412 WeakPolarHBondContact CB-O 3.25Å; H408-G412 PolarHBondContact O-N 2.87Å; G412-C414 PolarHBondContact O-N 2.88Å
413A82.2Confident71Confident57 Ų5788.8 Ų88.847%0.47154%0.541SS..  trans-70.2129.5-172.900000113.1H408 T411H408-A413 HydrophobicContact CB-CB 4.22Å; H408-A413 PolarHBondContact N-O 2.02Å; T411-A413 VanDerWaalsContact C-N 3.27Å; T411-A413 PolarHBondContact O-N 2.92Å
414C82.1Confident70.7Confident45 Ų4581.9 Ų81.930%0.30452%0.519SS..  trans-85.6138.6174.4-51.50000111.7D400 C401 G412 Y416D400-C414 PolarHBondContact O-SG 2.8Å; C401-C414 WeakPolarHBondContact CA-SG 2.98Å; C401-C414 HydrophobicContact CB-CB 3.82Å; C401-C414 WeakPolarHBondContact CB-SG 3.01Å; C401-C414 VanDerWaalsContact SG-CA 3.54Å; C401-C414 WeakPolarHBondContact SG-CB 3.17Å; C401-C414 CovalentContact SG-SG 2.03Å; C401-C414 PolarHBondContact SG-SG 2.03Å; G412-C414 PolarHBondContact O-N 2.88Å; C414-Y416 VanDerWaalsContact C-N 3.28Å; C414-Y416 PolarHBondContact O-N 3.16Å; C414-Y416 VanDerWaalsContact O-N 3.14Å
415P71.6Confident70.6Confident88 Ų8880.2 Ų80.257%0.57150%0.502SS*.THydrogen-bonded Turntrans-68.6-13.4-171.224.7-34000116.3V405V405-P415 HydrophobicContact CG1-CG 4.37Å
416Y66.8Low70.6Confident223 Ų22381.6 Ų81.688%0.87551%0.51SS*.THydrogen-bonded Turntrans-120.917.7-173.1-76.1-72.4000115.8C414 G418C414-Y416 VanDerWaalsContact C-N 3.28Å; C414-Y416 PolarHBondContact O-N 3.16Å; C414-Y416 VanDerWaalsContact O-N 3.14Å; Y416-G418 PolarHBondContact O-N 3.18Å
417S58.3Low70.2Confident107 Ų10784.3 Ų84.375%0.74852%0.516SS*.  trans-7845.8175.2-155.60000113.5R419S417-R419 VanDerWaalsContact C-N 3.27Å; S417-R419 PolarHBondContact O-N 3.01Å
418G60Low70Confident62 Ų6287.6 Ų87.664%0.63954%0.535SS*.THydrogen-bonded Turntrans-76.517.1-16600000117.4Y416Y416-G418 PolarHBondContact O-N 3.18Å
419R58.1Low69.7Low225 Ų22586.2 Ų86.285%0.84954%0.535SS*.THydrogen-bonded Turntrans-79.5-17.2-173-71.3-172.6176.3-175.1-0.1115.1S417 A421S417-R419 VanDerWaalsContact C-N 3.27Å; S417-R419 PolarHBondContact O-N 3.01Å; R419-A421 VanDerWaalsContact C-N 3.33Å; R419-A421 PolarHBondContact O-N 2.9Å
420G56Low69.5Low54 Ų5489.9 Ų89.956%0.55755%0.552SS**Hα-helixtrans-65.2-28-176.200000115.4V422 L423G420-V422 VanDerWaalsContact C-N 3.31Å; G420-V422 PolarHBondContact O-N 3.34Å; G420-L423 PolarHBondContact O-N 3.45Å
421A58.4Low69.1Low78 Ų7892.6 Ų92.665%0.64556%0.559SS**Hα-helixtrans-64-31.6-174.200000113.9R419 G425R419-A421 VanDerWaalsContact C-N 3.33Å; R419-A421 PolarHBondContact O-N 2.9Å; A421-G425 PolarHBondContact O-N 2.88Å
422V60.9Low69Low108 Ų10893.8 Ų93.866%0.65556%0.562SS**Hα-helixtrans-71.6-37.1-176.1-175.20000111.7G420 G425 V426G420-V422 VanDerWaalsContact C-N 3.31Å; G420-V422 PolarHBondContact O-N 3.34Å; V422-G425 PolarHBondContact O-N 3.37Å; V422-V426 PolarHBondContact O-N 3.18Å
423L58.3Low68.9Low119 Ų11998.6 Ų98.662%0.62358%0.583SS**Hα-helixtrans-67.8-42.7-179.5-75.7163.1000111.9G420 G425 V426 L427G420-L423 PolarHBondContact O-N 3.45Å; L423-G425 VanDerWaalsContact C-N 3.34Å; L423-G425 PolarHBondContact O-N 2.71Å; L423-V426 PolarHBondContact O-N 2.96Å; L423-L427 WeakPolarHBondContact O-CB 3.47Å; L423-L427 WeakPolarHBondContact O-CG 3.08Å; L423-L427 PolarHBondContact O-N 3.19Å; L423-L427 VanDerWaalsContact O-N 3.11Å
424A60.6Low68.7Low58 Ų58102.3 Ų102.348%0.47959%0.589SS.*Hα-helixtrans-61.9-41.5175.900000112.1V426 V428A424-V426 VanDerWaalsContact C-N 3.27Å; A424-V426 PolarHBondContact O-N 2.03Å; A424-V428 WeakPolarHBondContact O-CG2 3.23Å; A424-V428 PolarHBondContact O-N 3.44Å
425G64.3Low68.4Low52 Ų52106.4 Ų106.454%0.53660%0.602SS.*Hα-helixtrans-64-24.8-179.500000115.1A421 V422 L423 P429A421-G425 PolarHBondContact O-N 2.88Å; V422-G425 PolarHBondContact O-N 3.37Å; L423-G425 VanDerWaalsContact C-N 3.34Å; L423-G425 PolarHBondContact O-N 2.71Å; G425-P429 VanDerWaalsContact O-CD 3.25Å; G425-P429 WeakPolarHBondContact O-CD 3.29Å; G425-P429 WeakPolarHBondContact O-CG 3.32Å
426V72.1Confident68.6Low89 Ų89104.8 Ų104.854%0.53960%0.596SS.*Hα-helixtrans-95.3-38.9178.71790000112.2V422 L423 A424 P429 L430V422-V426 PolarHBondContact O-N 3.18Å; L423-V426 PolarHBondContact O-N 2.96Å; A424-V426 VanDerWaalsContact C-N 3.27Å; A424-V426 PolarHBondContact O-N 2.03Å; V426-P429 WeakPolarHBondContact O-CD 3.31Å; V426-P429 WeakPolarHBondContact O-CG 3.25Å; V426-L430 WeakPolarHBondContact O-CB 3.38Å
427L68.5Low69Low90 Ų9098.1 Ų98.147%0.47158%0.578SS.*Hα-helixtrans-72.7-39.5-175.2-69.1170.9000113L423 L430 F431L423-L427 WeakPolarHBondContact O-CB 3.47Å; L423-L427 WeakPolarHBondContact O-CG 3.08Å; L423-L427 PolarHBondContact O-N 3.19Å; L423-L427 VanDerWaalsContact O-N 3.11Å; L427-L430 PolarHBondContact O-N 2.96Å; L427-F431 WeakPolarHBondContact O-CD2 3.49Å; L427-F431 PolarHBondContact O-N 3.31Å
428V76.6Confident69.6Low86 Ų8697.2 Ų97.252%0.52157%0.565SS.*Hα-helixtrans-59-53.1-179.6173.20000113.2A424 L430 F431 L432A424-V428 WeakPolarHBondContact O-CG2 3.23Å; A424-V428 PolarHBondContact O-N 3.44Å; V428-L430 VanDerWaalsContact C-N 3.28Å; V428-L430 PolarHBondContact O-N 2.96Å; V428-F431 PolarHBondContact O-N 2.04Å; V428-L432 HydrophobicContact CG1-CD1 4.05Å; V428-L432 WeakPolarHBondContact O-CG 3.32Å; V428-L432 PolarHBondContact O-N 3.46Å
429P77.8Confident70Confident70 Ų7097.8 Ų97.846%0.45556%0.558SS.*Hα-helixtrans-64.7-31.7178.124.6-33.7000112.8G425 V426 L432 L433G425-P429 VanDerWaalsContact O-CD 3.25Å; G425-P429 WeakPolarHBondContact O-CD 3.29Å; G425-P429 WeakPolarHBondContact O-CG 3.32Å; V426-P429 WeakPolarHBondContact O-CD 3.31Å; V426-P429 WeakPolarHBondContact O-CG 3.25Å; P429-L432 PolarHBondContact O-N 2.81Å; P429-L433 WeakPolarHBondContact O-CB 3.39Å; P429-L433 PolarHBondContact O-N 3.31Å
430L77.8Confident70.5Confident107 Ų10791 Ų9156%0.5654%0.544SS*.Hα-helixtrans-69.5-40.7179-165.7151.1000111.8V426 L427 V428 L433 F434V426-L430 WeakPolarHBondContact O-CB 3.38Å; L427-L430 PolarHBondContact O-N 2.96Å; V428-L430 VanDerWaalsContact C-N 3.28Å; V428-L430 PolarHBondContact O-N 2.96Å; L430-L433 PolarHBondContact O-N 3.29Å; L430-F434 PolarHBondContact O-N 2.02Å
431F77.2Confident70.9Confident120 Ų12093 Ų9353%0.52655%0.548SS..Hα-helixtrans-64.8-42.7171-92.1-75.2000112.6L427 V428 L433 F434 F435L427-F431 WeakPolarHBondContact O-CD2 3.49Å; L427-F431 PolarHBondContact O-N 3.31Å; V428-F431 PolarHBondContact O-N 2.04Å; F431-L433 VanDerWaalsContact C-N 3.31Å; F431-L433 PolarHBondContact O-N 2.96Å; F431-F434 PolarHBondContact O-N 2.85Å; F431-F435 HydrophobicContact CD1-CE2 4.29Å; F431-F435 VanDerWaalsContact O-CD2 3.26Å; F431-F435 WeakPolarHBondContact O-CD2 3Å; F431-F435 PolarHBondContact O-N 3.24Å
432L80.4Confident70.9Confident114 Ų11495.7 Ų95.760%0.59755%0.551SS**Hα-helixtrans-61.2-39.5176.7-72.3170.9000112V428 P429 F435 A436V428-L432 HydrophobicContact CG1-CD1 4.05Å; V428-L432 WeakPolarHBondContact O-CG 3.32Å; V428-L432 PolarHBondContact O-N 3.46Å; P429-L432 PolarHBondContact O-N 2.81Å; L432-F435 PolarHBondContact O-N 2.73Å; L432-A436 WeakPolarHBondContact O-CB 3.34Å; L432-A436 PolarHBondContact O-N 2.9Å
433L80.1Confident70.7Confident119 Ų11995.3 Ų95.362%0.62355%0.552SS**Hα-helixtrans-65.4-41.4175.4-159.1160000111.1P429 L430 F431 A436 V437P429-L433 WeakPolarHBondContact O-CB 3.39Å; P429-L433 PolarHBondContact O-N 3.31Å; L430-L433 PolarHBondContact O-N 3.29Å; F431-L433 VanDerWaalsContact C-N 3.31Å; F431-L433 PolarHBondContact O-N 2.96Å; L433-A436 PolarHBondContact O-N 2.9Å; L433-V437 HydrophobicContact CD2-CG2 4.12Å; L433-V437 WeakPolarHBondContact O-CG2 3.46Å; L433-V437 PolarHBondContact O-N 2.91Å
434F76.4Confident70.6Confident135 Ų13595.1 Ų95.159%0.59256%0.56SS**Hα-helixtrans-62.4-44.1175.4-163.7-92.3000112.5L430 F431 V437 L438L430-F434 PolarHBondContact O-N 2.02Å; F431-F434 PolarHBondContact O-N 2.85Å; F434-V437 PolarHBondContact O-N 2.03Å; F434-L438 WeakPolarHBondContact O-CB 3.29Å; F434-L438 PolarHBondContact O-N 2.04Å
435F76.1Confident70.1Confident130 Ų13095.6 Ų95.657%0.5757%0.57SS**Hα-helixtrans-65.5-36.8174.5-81.3-66.7000112.9F431 L432 L438 C439F431-F435 HydrophobicContact CD1-CE2 4.29Å; F431-F435 VanDerWaalsContact O-CD2 3.26Å; F431-F435 WeakPolarHBondContact O-CD2 3Å; F431-F435 PolarHBondContact O-N 3.24Å; L432-F435 PolarHBondContact O-N 2.73Å; F435-L438 PolarHBondContact O-N 3.05Å; F435-C439 WeakPolarHBondContact O-CB 3.46Å; F435-C439 PolarHBondContact O-N 3.26Å
436A76.4Confident68.9Low55 Ų5597.1 Ų97.146%0.45559%0.585SS.*Hα-helixtrans-62.7-45.917500000111.7L432 L433 C439 C440L432-A436 WeakPolarHBondContact O-CB 3.34Å; L432-A436 PolarHBondContact O-N 2.9Å; L433-A436 PolarHBondContact O-N 2.9Å; A436-C439 PolarHBondContact O-N 3.2Å; A436-C440 PolarHBondContact O-N 3.08Å; A436-C440 PolarHBondContact O-SG 3.31Å; A436-C440 VanDerWaalsContact O-SG 3.37Å
437V74.9Confident67.3Low82 Ų8296.4 Ų96.450%0.49760%0.596SS.*Hα-helixtrans-60.4-46.5175.2171.50000111.2L433 F434 C439 C440 C441L433-V437 HydrophobicContact CD2-CG2 4.12Å; L433-V437 WeakPolarHBondContact O-CG2 3.46Å; L433-V437 PolarHBondContact O-N 2.91Å; F434-V437 PolarHBondContact O-N 2.03Å; V437-C439 VanDerWaalsContact C-N 3.29Å; V437-C439 PolarHBondContact O-N 3.26Å; V437-C440 PolarHBondContact O-N 2.9Å; V437-C441 PolarHBondContact O-N 3.14Å; V437-C441 PolarHBondContact O-SG 3.23Å; V437-C441 VanDerWaalsContact O-SG 3.36Å
438L69.9Low66.8Low89 Ų8998.7 Ų98.747%0.46662%0.616SS.*Hα-helixtrans-60-39.8178.5-166.172.5000112F434 F435 C441 L442F434-L438 WeakPolarHBondContact O-CB 3.29Å; F434-L438 PolarHBondContact O-N 2.04Å; F435-L438 PolarHBondContact O-N 3.05Å; L438-C441 PolarHBondContact O-N 2.81Å; L438-L442 WeakPolarHBondContact O-CG 3.29Å; L438-L442 PolarHBondContact O-N 2.87Å
439C69.3Low64.9Low73 Ų7399.3 Ų99.349%0.49363%0.63SS.*Hα-helixtrans-66.7-44.5176.5-161.30000111.8F435 A436 V437 C441 L442 C443F435-C439 WeakPolarHBondContact O-CB 3.46Å; F435-C439 PolarHBondContact O-N 3.26Å; A436-C439 PolarHBondContact O-N 3.2Å; V437-C439 VanDerWaalsContact C-N 3.29Å; V437-C439 PolarHBondContact O-N 3.26Å; C439-C441 VanDerWaalsContact C-N 3.32Å; C439-C441 PolarHBondContact O-N 3.44Å; C439-L442 PolarHBondContact O-N 3.21Å; C439-L442 VanDerWaalsContact O-N 3.11Å; C439-C443 PolarHBondContact O-N 3.18Å; C439-C443 PolarHBondContact O-SG 3.5Å
440C68.4Low63.3Low82 Ų82103 Ų10355%0.55465%0.646SS**Hα-helixtrans-59.4-40.1174.2-70.30000112.7A436 V437 L442 C443 C444A436-C440 PolarHBondContact O-N 3.08Å; A436-C440 PolarHBondContact O-SG 3.31Å; A436-C440 VanDerWaalsContact O-SG 3.37Å; V437-C440 PolarHBondContact O-N 2.9Å; C440-L442 VanDerWaalsContact C-N 3.28Å; C440-L442 PolarHBondContact O-N 2.81Å; C440-C443 PolarHBondContact O-N 2.7Å; C440-C444 PolarHBondContact O-N 2.65Å
441C63.7Low61.5Low97 Ų97104 Ų10466%0.65565%0.652SS**Hα-helixtrans-64.2-30.8175.8-690000113.3V437 L438 C439V437-C441 PolarHBondContact O-N 3.14Å; V437-C441 PolarHBondContact O-SG 3.23Å; V437-C441 VanDerWaalsContact O-SG 3.36Å; L438-C441 PolarHBondContact O-N 2.81Å; C439-C441 VanDerWaalsContact C-N 3.32Å; C439-C441 PolarHBondContact O-N 3.44Å
442L59.2Low59.6Low135 Ų135107.4 Ų107.471%0.70767%0.667SS**Hα-helixtrans-84.3-31.2179.3-70.1167.6000113.2L438 C439 C440L438-L442 WeakPolarHBondContact O-CG 3.29Å; L438-L442 PolarHBondContact O-N 2.87Å; C439-L442 PolarHBondContact O-N 3.21Å; C439-L442 VanDerWaalsContact O-N 3.11Å; C440-L442 VanDerWaalsContact C-N 3.28Å; C440-L442 PolarHBondContact O-N 2.81Å
443C57.8Low57.7Low100 Ų100107.6 Ų107.668%0.67667%0.673SS**Hα-helixtrans-87.9-5.6-175-680000115.4C439 C440C439-C443 PolarHBondContact O-N 3.18Å; C439-C443 PolarHBondContact O-SG 3.5Å; C440-C443 PolarHBondContact O-N 2.7Å
444C56.2Low55.6Low115 Ų115107.1 Ų107.178%0.77768%0.68SS**THydrogen-bonded Turntrans-104.67.7-176.7-690000115.4C440C440-C444 PolarHBondContact O-N 2.65Å
445G49Very low53.6Low67 Ų67105.7 Ų105.769%0.69169%0.692SS**SBendtrans-94.9103.516900000112.2
446G38.2Very low51.5Low84 Ų84103.8 Ų103.887%0.86670%0.701SS**  trans-74.5180175.700000114.1
447G39.6Very low49.6Very low74 Ų74108 Ų10876%0.76372%0.72SS**  cis-170.7-174.65.600000112
448P57.5Low47.9Very low138 Ų138110.1 Ų110.190%0.89673%0.734SS**  trans-109.2151-157.638.8-34.2000117.4
449A37.5Very low46.4Very low99 Ų99113.7 Ų113.782%0.81875%0.754SS**  trans-176.3151.2158.900000109.6
450D43.2Very low44.9Very low147 Ų147113.5 Ų113.579%0.78676%0.764SS**  cis-155.5-170-30.8-149.3-37.9000108.9
451N40.6Very low43.5Very low129 Ų129115.4 Ų115.469%0.6978%0.778SS**  trans-96.1157.8-156.2-75.9-96000118.2
452K38.3Very low42.3Very low191 Ų191118.9 Ų118.983%0.8379%0.787SS**  trans73.4148.1143.7-94.8171.1-179.7170.50118.6
453T38.5Very low41.9Very low119 Ų119120.9 Ų120.973%0.7380%0.797SS**  cis-155168.8-0.2-27.30000111.3
454S37.6Very low41.6Very low109 Ų109121.4 Ų121.476%0.76280%0.798SS**  trans126.490.2139-630000119.7
455A32.8Very low41.3Very low104 Ų104127.3 Ų127.386%0.8680%0.804SS**  48.1154.5126.100000125.4
456A33.1Very low41.1Very low91 Ų91133.3 Ų133.375%0.75282%0.816SS**  trans77.6117.5171.200000116.9
457V35.3Very low41.4Very low142 Ų142137.2 Ų137.286%0.86181%0.809SS**  78.8125.456.8171.70000111
458T40.2Very low41.9Very low128 Ų128144.3 Ų144.379%0.78581%0.814SS**  cis-123.5177.419.8500000116
459D38.3Very low41.6Very low163 Ų163146 Ų14687%0.87281%0.81SS**  trans-51.4173167.6-64.5-84.6000117.2
460G37.6Very low42.1Very low70 Ų70146.2 Ų146.272%0.72280%0.801SS**  trans154.528.4141.400000123.2
461S39.8Very low42.3Very low121 Ų121147.9 Ų147.985%0.84680%0.797SS**  trans55.1108.9163.2169.60000119.5
462M38.6Very low42.4Very low171 Ų171146.1 Ų146.184%0.84280%0.795SS**  trans-144.7117136.3-154.6-174.7-164.700112.3V464M462-V464 VanDerWaalsContact C-N 3.31Å; M462-V464 PolarHBondContact O-N 3.33Å
463L51.1Low42.8Very low176 Ų176142.2 Ų142.292%0.92179%0.787SS**  trans-82.954.7-173.2-167.977.8000113.4
464V50.9Low43.2Very low112 Ų112143.7 Ų143.768%0.67979%0.79SS**  trans-144.3141.3176.4-161.40000112M462M462-V464 VanDerWaalsContact C-N 3.31Å; M462-V464 PolarHBondContact O-N 3.33Å
465R50.3Low43.8Very low239 Ų239142.3 Ų142.390%0.90279%0.785SS**SBendtrans93.241.8169-55.9-170.5163.9130.6-4120.5
466M43.6Very low44.6Very low193 Ų193144.5 Ų144.595%0.95178%0.782SS**  trans-148.575.3160.8-152.4170.1-167.400116.8
467K44.6Very low45.3Very low165 Ų165148.1 Ų148.172%0.71779%0.787SS**  trans-158.140.2161.6-148.5178-178.91750116.5
468Y49.9Very low45.7Very low223 Ų223145.1 Ų145.188%0.87579%0.785SS**SBendtrans-118.88.3-175.2-106.6-73.7000117.9
469H51.8Low46Very low175 Ų175143.9 Ų143.981%0.8179%0.788SS**SBendtrans-112.7-5.4176.5-85.2-77.4000116.1
470V48Very low46.6Very low103 Ų103140.8 Ų140.862%0.62479%0.785SS**SBendtrans-89.7-28.7-178.8-178.30000112.8S472V470-S472 PolarHBondContact O-N 2.76Å
471Y46.8Very low46.7Very low181 Ų181145.3 Ų145.371%0.7179%0.792SS**THydrogen-bonded Turntrans-80-11.9-175.4-97.5-79000115.5
472S43Very low47Very low93 Ų93145.2 Ų145.265%0.6579%0.788SS**THydrogen-bonded Turntrans-80.2-26-178.7-164.70000113.5V470V470-S472 PolarHBondContact O-N 2.76Å
473V47.8Very low46.9Very low109 Ų109143.5 Ų143.566%0.66179%0.791SS**THydrogen-bonded Turntrans-88.8-29.1-172.7-175.90000112.5A475V473-A475 VanDerWaalsContact C-N 3.28Å; V473-A475 PolarHBondContact O-N 3.36Å
474L46.1Very low46Very low150 Ų150143.5 Ų143.579%0.78579%0.789SS**THydrogen-bonded Turntrans-80.8-2.7178.8-73.1170.3000114.2
475A49.8Very low45.2Very low80 Ų80142.1 Ų142.166%0.66178%0.784SS**THydrogen-bonded Turntrans-89.7-4.2-17700000114.7V473V473-A475 VanDerWaalsContact C-N 3.28Å; V473-A475 PolarHBondContact O-N 3.36Å
476N51Low44.2Very low149 Ų149137.2 Ų137.280%0.79778%0.776SS**SBendtrans-128.116.6-163.7-115.8-6.1000115.9
477I46.3Very low43.9Very low167 Ų167139.3 Ų139.386%0.85677%0.773SS**SBendtrans-124.659.9173.8-45.2-178.7000109.6
478G43.9Very low43.4Very low79 Ų79135.2 Ų135.281%0.81477%0.766SS**SBendtrans-137.814.3-175.800000115.3
479A47.5Very low43Very low103 Ų103130.6 Ų130.685%0.85177%0.766SS**SBendtrans-143.432.4-168.800000114.9
480A50.3Low42Very low97 Ų97126.2 Ų126.280%0.80277%0.768SS**  trans-157.784173.600000113.7
481L38.8Very low41.6Very low166 Ų166129.2 Ų129.287%0.86978%0.779SS**  trans-176.6137.3146.2-102173.5000109.2
482P46.8Very low41.6Very low119 Ų119125.1 Ų125.177%0.77378%0.775SS**  trans-93.9143.3178.235.4-31.6000112.5
483C37.1Very low41Very low135 Ų135128.5 Ų128.591%0.91277%0.773SS**  trans-118.1107.5175.4-68.80000112.1
484M31.1Very low40.2Very low175 Ų175128.8 Ų128.886%0.86278%0.775SS**  trans-104.2147.5152.858.1-165.6-69.100106.7
485S34.4Very low39.7Very low84 Ų84128.1 Ų128.159%0.58778%0.778SS**  cis-161.4-168.3-2.5380000109.2
486D30.4Very low38.7Very low135 Ų135130.3 Ų130.372%0.72278%0.782SS**  trans80.790.6152.9-54.4-51.3000121.4
487W35.6Very low37.9Very low238 Ų238128.6 Ų128.690%0.90278%0.782SS**  97.5145.5115.1-153.2-94.2000120.4
488S34.2Very low37.3Very low79 Ų79126.6 Ų126.655%0.55277%0.769SS**  trans-98.2154.4-16752.70000114.5
489S41.5Very low36.8Very low126 Ų126132 Ų13288%0.88177%0.773SS**  -175133122.649.50000111.2
490G31.2Very low36.2Very low82 Ų82133 Ų13385%0.84576%0.764SS**  trans153.472.2176.900000115.9
491L39.1Very low35.9Very low166 Ų166132.4 Ų132.487%0.86975%0.752SS**  trans-99.8175170.5-70.2173.6000110.2
492P47.3Very low35.8Very low95 Ų95132.2 Ų132.262%0.61775%0.746SS**  cis-133.1159.4-34.433-16.4000113.9
493R31Very low35.3Very low164 Ų164132.8 Ų132.862%0.61975%0.747SS**  trans-162.6113.3152.2-121.4166.1172.3152.9-2.2108.2
494V31.1Very low35Very low115 Ų115132.3 Ų132.370%0.69774%0.74SS**  58.881.167.6-172.40000111.3
495T34.8Very low35Very low137 Ų137132.9 Ų132.984%0.8474%0.738SS**  trans-117.5138.1156.141.40000108.1
496V30.3Very low34.8Very low125 Ų125134.9 Ų134.976%0.75874%0.742SS**  trans-89.6134.2175175.30000108.6
497S32.3Very low34.8Very low114 Ų114136.2 Ų136.280%0.79774%0.744SS**  trans-129.4133.9159.8510000108.8
498H34.7Very low34.6Very low124 Ų124129.4 Ų129.457%0.57473%0.733SS**  trans-84.3127.7175.7-93.3-67.1000110.3R313R313-H498 PolarHBondContact NH2-CD2 2.87Å; R313-H498 PolarHBondContact NH2-CE1 2.85Å; R313-H498 PolarHBondContact NH2-NE2 2.95Å
499H33.6Very low34.6Very low193 Ų193135 Ų13589%0.89475%0.748SS**  trans-148.6142.9136.9-117.3-74.4000110.4
500D34.9Very low34.3Very low125 Ų125135.7 Ų135.767%0.66874%0.74SS**  trans-164.7161.6-165.3-172.354.7000107.4
501P44.8Very low34.5Very low84 Ų84140 Ų14055%0.54574%0.738SS.*  cis-110.8-174.5-21.919.82.6000111.1
502E35.4Very low34.9Very low162 Ų162137.1 Ų137.176%0.75773%0.729SS**  trans175.196.6130.8-95.6-64.6149.500108.7
503V36.5Very low34.8Very low130 Ų130138 Ų13879%0.78874%0.735SS**  trans-116.1125.7169171.80000107.4
504T31.9Very low34.8Very low126 Ų126136 Ų13677%0.77375%0.746SS**  trans-123.2118.5167.4390000111.1
505F29.8Very low35Very low187 Ų187136.9 Ų136.982%0.8276%0.757SS**  trans-108.1166.3164.2-116.3-92.4000108.3
506N30.3Very low34.8Very low125 Ų125133.3 Ų133.367%0.66875%0.748SS**  trans79.3109.1160.2-64.6-10.8000121.2
507H30.9Very low34.9Very low163 Ų163138.6 Ų138.676%0.75575%0.754SS**  72.1109.6118.6-72.9-62.2000124
508S31.7Very low34.6Very low96 Ų96140.1 Ų140.167%0.67176%0.758SS**  103.1131.3116.6-65.40000122
509F34.6Very low34.6Very low197 Ų197139.3 Ų139.386%0.86476%0.762SS**  trans69.7134.7155.6-91-128.5000116.8
510I35.3Very low34.5Very low139 Ų139139.3 Ų139.371%0.71376%0.763SS**  cis-138.515415.3-68.2-174.4000112.3
511E34.8Very low34.4Very low173 Ų173137 Ų13781%0.80877%0.769SS**  trans-15.5172.4158.3-67.4-168.2120.400122.8
512P47.2Very low33.9Very low106 Ų106138.5 Ų138.569%0.68878%0.781SS**  cis-134.5-177.9-34.439.5-22.6000112.1
513P44.7Very low33.9Very low114 Ų114135.8 Ų135.874%0.7478%0.78SS**  -150.5150.190.438.3-20.2000117
514S31.9Very low33.4Very low121 Ų121139.7 Ų139.785%0.84679%0.787SS**  trans40104.1140.7-52.80000120.8
515S34Very low33.3Very low133 Ų133140 Ų14093%0.9378%0.784SS**  trans-140.3160.4139.260.50000109.2
516G31.4Very low33.5Very low62 Ų62136 Ų13664%0.63978%0.779SS**  trans-148.4154-17700000112.8
517W31.6Very low33.6Very low236 Ų236136.4 Ų136.489%0.89478%0.781SS**  trans53.3100.4166-57.691.8000117.4
518V27.7Very low33.8Very low146 Ų146136.9 Ų136.989%0.88578%0.784SS**  trans-125.6137.6130.2-169.90000107.3
519T32.9Very low34Very low108 Ų108140.3 Ų140.366%0.66379%0.789SS**  trans-129.6119.5175.1-57.40000107.7
520E31.9Very low34.1Very low192 Ų192140.2 Ų140.290%0.89779%0.791SS**  trans-139.1156157.4-73.4-157.3156.400108.7
521G34Very low34Very low78 Ų78136.7 Ų136.780%0.80479%0.789SS**  trans-168.5135.7-179.900000112.9
522S32.5Very low33.9Very low114 Ų114138 Ų13880%0.79780%0.796SS**  trans-158.2121.2157.9410000104.7
523S35.6Very low33.2Very low105 Ų105136.4 Ų136.473%0.73479%0.791SS**  64.6103.269.1-1760000111.4
524F26.3Very low32.4Very low213 Ų213138.5 Ų138.593%0.93480%0.795SS**  trans-142.4157.1138.2-114.2-78.7000108.6
525D30.3Very low32.2Very low132 Ų132142.4 Ų142.471%0.70679%0.793SS**  trans-111.3159.3-161.7-136.1-52.3000112.6
526S33.2Very low31.8Very low104 Ų104140.1 Ų140.173%0.72778%0.776SS**  trans151.3142.9168.9-69.90000109.6
527D33Very low31.8Very low132 Ų132143.4 Ų143.471%0.70678%0.783SS**  cis-172.6149.4-35.5-115.9-41000106.9
528E35.3Very low33Very low173 Ų173137.4 Ų137.481%0.80878%0.775SS**  trans58.2171.7164.8-64.3173.3168.800116.7
529E36.1Very low33.7Very low169 Ų169136.5 Ų136.579%0.7977%0.772SS**  cis-145.7-178.3-49.3-177.5164.8159.100106.9
530E35.9Very low33.9Very low194 Ų194141.7 Ų141.791%0.90778%0.78SS**  trans70.4148.4174.1-52-172.8131.400117
531G33.8Very low33.8Very low65 Ų65141.6 Ų141.667%0.6778%0.779SS**  cis153.895.7-9.300000114.1
532E32.6Very low33.5Very low202 Ų202143.5 Ų143.594%0.94477%0.771SS**  trans59.7160.6158.6-64.1-164.6149.300119.2
533A33Very low33.4Very low72 Ų72145.7 Ų145.760%0.59577%0.772SS**  cis-167.2168-32.500000110.1
534L27.5Very low33.9Very low158 Ų158146.6 Ų146.683%0.82778%0.775SS**  trans63.9156.4153.5-66.3160000119
535Y26.7Very low34.2Very low203 Ų203141.1 Ų141.180%0.79677%0.769SS**  cis-163.7148.2-32.4-154-129.8000111.2
536C26.3Very low34.4Very low85 Ų85141.9 Ų141.957%0.57478%0.778SS**  trans46.6128.5151.2-80.80000125.9
537V31.9Very low34.4Very low130 Ų130141.5 Ų141.579%0.78878%0.782SS**  84.5136.7126.61720000120.2
538P56Low34.2Very low111 Ų111139.1 Ų139.172%0.72179%0.788SS**  trans-107.4173-178.442.1-37000115
539P42.4Very low33.9Very low127 Ų127134.9 Ų134.983%0.82579%0.791SS**  trans-129.9175.3146.237.8-25.6000114.3
540R36.4Very low33.5Very low217 Ų217136 Ų13682%0.81980%0.796SS**  trans-116.8154.3167-62.6172.863.5163.11.7108.5
541E30.5Very low33.1Very low190 Ų190136.7 Ų136.789%0.88880%0.796SS**  trans171.4170155-100.2156.7-15000108.6
542D27.6Very low33.1Very low118 Ų118142.2 Ų142.263%0.63181%0.805SS**  -164.4144.6-80.4-103.5-42.2000108.9
543I31.2Very low32.9Very low159 Ų159140.9 Ų140.982%0.81580%0.798SS**  trans69.2161.8157.1-67.1165.1000115.2
544P45.6Very low32.7Very low125 Ų125145 Ų14581%0.81281%0.807SS**  cis-118.8-173.80.220.55000116.3
545A33Very low32.8Very low97 Ų97142.6 Ų142.680%0.80280%0.804SS**  trans-116.3166.8-176.500000114.6
546V33.8Very low33Very low148 Ų148138.3 Ų138.390%0.89780%0.804SS**  trans-141.1154.1163.6173.40000109.7
547A33.3Very low33.1Very low97 Ų97144 Ų14480%0.80282%0.819SS**  trans-65.1167.4178.300000114
548G29.4Very low32.9Very low82 Ų82142.1 Ų142.185%0.84581%0.81SS**  cis136.7131.8-0.700000111.9
549G29.2Very low31.7Very low83 Ų83145.1 Ų145.186%0.85682%0.82SS**  trans168.6140-178.700000111.8
550E26.8Very low31Very low192 Ų192145.6 Ų145.690%0.89781%0.813SS**  trans-76.1141.8-169.4-62.6158.4101.400113.7
551F29Very low30.5Very low209 Ų209143.9 Ų143.992%0.91781%0.812SS**  trans-152.1171.1136-121.9-82.9000111
552Q32.1Very low30.4Very low182 Ų182141 Ų14185%0.8580%0.801SS**  trans-97.4114.9-155.1-179.4-179.61.700113.1
553E29.6Very low30.5Very low173 Ų173141.6 Ų141.681%0.80881%0.805SS**  trans-129.8151.7173.2-166.7160.6-145.500113.7
554M28.2Very low30.6Very low159 Ų159140.1 Ų140.178%0.78381%0.805SS**  trans-86.1161.5-169.959-150.5135.800114.6
555S29Very low29.8Very low107 Ų107139.9 Ų139.975%0.74881%0.807SS**  trans95.7108.8166-154.20000118.7
556S32.1Very low29.6Very low114 Ų114138.2 Ų138.280%0.79780%0.799SS**  trans55.5108.7153.361.70000119.6
557K28.6Very low29.3Very low205 Ų205141.2 Ų141.289%0.89180%0.8SS**  trans-139.6145.4155.5-155.4163.2-172.2171.60113.3
558C27.1Very low29.1Very low90 Ų90141.6 Ų141.661%0.60880%0.798SS**  trans-47164.5-170.4-44.90000118.3
559N30.4Very low29.2Very low174 Ų174141.9 Ų141.993%0.9379%0.787SS**  -133.2161.4126.3-99.3-42.3000109.9
560M28.3Very low29.3Very low136 Ų136147.1 Ų147.167%0.6779%0.789SS**  trans-131.7162.2-168.3-63.2176.7160.100112.3
561F26Very low29.6Very low182 Ų182143.8 Ų143.880%0.79878%0.777SS**  trans66.2160.4153.4-64.4-42.8000117.2
562L28.8Very low29.7Very low128 Ų128140.4 Ų140.467%0.6777%0.767SS**  cis-153.1162.1-10-121.2166.5000110
563D29.1Very low29.6Very low131 Ų131136 Ų13670%0.70176%0.762SS**  trans57.5157.6166.7-68-45.1000119.5
564P33.6Very low30Very low128 Ų128133.7 Ų133.783%0.83177%0.765SS**  -141.8130.4102.335.6-20.9000115.6
565S28.9Very low30.1Very low121 Ų121130.6 Ų130.685%0.84676%0.759SS**  trans-127.4139.7147.2-65.50000107.1
566G29.5Very low30.2Very low62 Ų62134.6 Ų134.664%0.63976%0.763SS**  cis161.8157.8-5.500000109.7
567F26.6Very low30.1Very low210 Ų210135.9 Ų135.992%0.92176%0.761SS**  trans-145.9108.8166.7-82.2-75.3000108.4
568S28.7Very low30.1Very low106 Ų106134.2 Ų134.274%0.74176%0.76SS**  63.2107.1110.1-157.40000113.8
569S32.8Very low30.7Very low88 Ų88135.7 Ų135.762%0.61577%0.769SS**  60.8114.173-154.70000110.4
570E30.8Very low30.8Very low192 Ų192139 Ų13990%0.89777%0.768SS**  -141.3167.570.5-69148.5177.200114
571D32.4Very low31.1Very low122 Ų122139.5 Ų139.565%0.65278%0.779SS**  cis-161.1157.7-40.7-147.8-6.8000112.8
572I31.7Very low31.6Very low138 Ų138136.6 Ų136.671%0.70878%0.782SS**  trans58.5133.1155.8-73.2152.8000123.8
573A30.5Very low32.1Very low91 Ų91136.4 Ų136.475%0.75279%0.791SS**  trans61.2124.6157.700000119.9
574S36.9Very low32.4Very low123 Ų123138 Ų13886%0.8680%0.799SS**  -167172.154.346.30000112.8
575S30.8Very low32.6Very low95 Ų95135.9 Ų135.966%0.66479%0.793SS**  trans-109.3155.9-174.458.90000113.6
576F30.2Very low32.9Very low191 Ų191139.6 Ų139.684%0.83879%0.793SS**  trans166108.8147-84.9-62.2000108.4
577N29.7Very low33Very low141 Ų141141.9 Ų141.975%0.75480%0.8SS**  74.3104.182-86.7-56.5000117.2
578I28.8Very low33.3Very low170 Ų170141.6 Ų141.687%0.87280%0.798SS**  trans-136143.3150.6-71.4-169.6000107.3
579P40.5Very low33.7Very low120 Ų120147.7 Ų147.778%0.77981%0.805SS**PPolyproline II helixtrans-101.9166.9-145.438.2-36.9000117.1
580R32.6Very low34.5Very low243 Ų243148.6 Ų148.692%0.91781%0.809SS**PPolyproline II helixtrans-75.8148.6170.7-64.8174.9167.293.8-2.5112.2
581T35.4Very low34.8Very low147 Ų147144.5 Ų144.590%0.90280%0.801SS**PPolyproline II helixtrans-97.9152.4150.450.30000109.9
582S36.1Very low34.9Very low122 Ų122145.6 Ų145.685%0.85381%0.812SS**  trans-121.6153.7-171.951.80000113.4
583S39.2Very low35.3Very low123 Ų123143.9 Ų143.986%0.8681%0.813SS**  trans-138.6149.1173.3450000111.8
584N34.9Very low35.5Very low165 Ų165149.7 Ų149.788%0.88282%0.821SS**  trans-79.2165-176.4-76.4-44.9000112.5
585A37.5Very low35.6Very low84 Ų84147.8 Ų147.869%0.69481%0.813SS**  cis179.9-173.7-18.600000110.2
586K34.9Very low35.7Very low198 Ų198152.6 Ų152.686%0.86183%0.825SS**  trans97.2140.7151.1-78.1-178.6172.9175.80121.7
587S31.8Very low35.8Very low111 Ų111146.4 Ų146.478%0.77682%0.815SS**  trans73.9150.5166.6810000116
588K33Very low36Very low204 Ų204146.8 Ų146.889%0.88782%0.823SS**  cis-149.8164.92.9-138.3165.4-175.8179.30110.3
589R36.8Very low36.2Very low234 Ų234148.7 Ų148.788%0.88382%0.819SS**  trans-82.2162.1170.3-107.8-175.1-172.4-167.83.3110.2
590P49.2Very low35.7Very low107 Ų107152 Ų15270%0.69582%0.821SS**  -153.2172.255.742.2-21.9000119.8
591S38.6Very low35.6Very low105 Ų105145.7 Ų145.773%0.73481%0.814SS**  trans59.1156.5154.750.50000119.6
592V33.3Very low36.5Very low145 Ų145144.2 Ų144.288%0.87981%0.807SS**  cis-132.3-175.36.8-1360000111.3
593S40.4Very low36.3Very low103 Ų103146.3 Ų146.372%0.7280%0.801SS**  trans-114.1157.1-174.3-50.10000113.5
594F34.2Very low36.1Very low212 Ų212146.2 Ų146.293%0.9379%0.787SS**  trans-174.5142.5137.5-107.1-68.2000113.2
595A39.5Very low36.2Very low83 Ų83148.4 Ų148.469%0.68678%0.783SS**  trans54.7150.9155.100000120.5
596E33.7Very low36.2Very low196 Ų196156 Ų15692%0.91679%0.794SS**  cis-150.8-174.5-14-131.318011300111.8
597G32.3Very low35.9Very low61 Ų61150 Ų15063%0.62979%0.787SS**  trans-75.1165.8-175.800000115.7
598T33.2Very low36.1Very low150 Ų150151.3 Ų151.392%0.9280%0.797SS**  -161.6167.277.127.40000114.3
599R33.3Very low36.2Very low210 Ų210144.8 Ų144.879%0.79279%0.787SS**  trans-83.3164.5172.9-69.1176.4173.5168.2-2.7109.9
600F29.3Very low36Very low190 Ų190143.4 Ų143.483%0.83379%0.791SS**  cis-153.5164.743.1-84-93.9000114.9
601S31.4Very low35.2Very low110 Ų110145.8 Ų145.877%0.76980%0.798SS**  trans-90.6-170167.6-32.30000110.4
602P53.4Low35.7Very low116 Ų116146.8 Ų146.875%0.75380%0.802SS**  cis-122.9-161.9-0.138.2-15.8000111.7
603K32.7Very low35.5Very low166 Ų166143.4 Ų143.472%0.72280%0.797SS**  cis-169.7160.238.2-149.6176.2176.3179.40113.6
604E35.2Very low35.1Very low121 Ų121143.3 Ų143.357%0.56580%0.802SS**  trans-4156.2153.2-59.3179109.900120.6
605R36.6Very low36.5Very low210 Ų210138.7 Ų138.779%0.79279%0.793SS**  cis-163.6-177.211.2-130.1174.4-142.8-146.68.3113.8
606R37.1Very low37Very low244 Ų244141 Ų14192%0.92180%0.801SS**  trans-54.3160.7164.7-47.7167.6-171.21780.4112.4
607G29.8Very low37Very low71 Ų71142 Ų14273%0.73280%0.797SS**  cis134.4164.3-2.300000114.2
608S35.7Very low37.2Very low139 Ų139144.9 Ų144.997%0.97280%0.798SS**  trans73.9138.1165.1-1550000120.5
609G33.7Very low37.2Very low67 Ų67147.2 Ų147.269%0.69180%0.795SS**  trans159.274.116600000121.2
610Q33.3Very low37.6Very low205 Ų205141.3 Ų141.396%0.95879%0.791SS**  trans61.7148.3141.3-70.6168.4-23.700125.3
611D32.4Very low37.6Very low158 Ų158142.4 Ų142.485%0.84580%0.795SS**  trans-67.1-177.7164.8-87-69.3000114.1
612P50.1Low38.3Very low125 Ų125143.5 Ų143.581%0.81280%0.798SS**  cis-136.9-176.17.442.4-24.7000116.4
613G27.2Very low38.6Very low75 Ų75142.9 Ų142.977%0.77379%0.794SS**  trans164.4151.9159.500000116.5
614A33.7Very low38.4Very low100 Ų100147 Ų14783%0.82681%0.805SS**  trans-140-157.5-176.400000114.2
615P62.4Low38.4Very low116 Ų116144.2 Ų144.275%0.75381%0.808SS**  -99.4168.8-123.341.3-30.9000116.1
616P50.5Low38.5Very low131 Ų131141.1 Ų141.185%0.85181%0.813SS**  -137.4-146.8114.736.4-22.3000116.4
617R33.7Very low38.7Very low217 Ų217136.6 Ų136.682%0.81981%0.806SS**  -170.5151.4-123.2-172.2-179.8-178.3-165.83.4115.1
618N35.8Very low39.1Very low122 Ų122140.6 Ų140.665%0.65281%0.807SS**  trans70.8123.6163.4-70.9-24.1000121.5
619K34.5Very low39Very low199 Ų199140.8 Ų140.887%0.86580%0.797SS**  40.1151.9125.1-56.2-178.1-179.1-175.10121.7
620A40.2Very low38.9Very low86 Ų86143 Ų14371%0.71180%0.802SS**  cis175.5152.2-19.600000109.8
621K30.6Very low39Very low212 Ų212137.5 Ų137.592%0.92279%0.791SS**  trans168.8165150.5-97.3164.8-177.3-175.40114.4
622T44.9Very low39.1Very low134 Ų134137.6 Ų137.682%0.82279%0.791SS**  trans-115.1-170.2176.651.90000110.4
623P60.6Low38.7Very low102 Ų102140.2 Ų140.266%0.66279%0.792SS**  cis-155.7-159.922.147.4-23.2000119.9
624W28.9Very low39.2Very low253 Ų253141.5 Ų141.596%0.95879%0.79SS**  trans74.2155.1167.4-70.628.4000119.7
625G35.3Very low39.6Very low62 Ų62146.4 Ų146.464%0.63980%0.795SS**  cis159.1115.4-19.500000119
626V37.3Very low38.1Very low146 Ų146145 Ų14589%0.88580%0.801SS**  trans58.2168.6166.8-65.20000120
627L41.5Very low37.2Very low148 Ų148141.9 Ų141.978%0.77579%0.793SS**  cis-132.1-178.112.4-75.4168.2000111.3
628M39.1Very low37.4Very low155 Ų155138.7 Ų138.776%0.76480%0.798SS**  cis83.5140.120.1-48.2-61-110.100116.5
629L33Very low37.1Very low144 Ų144137.7 Ų137.775%0.75481%0.807SS**  cis-163.6-174.85.6-154.364.4000113.3
630S32.8Very low36.9Very low114 Ų114137.6 Ų137.680%0.79780%0.801SS**  trans89.7156.8160.5-56.70000121
631A33.7Very low36.5Very low88 Ų88139.7 Ų139.773%0.72781%0.806SS**  cis-175.2168.3-29.100000113.8
632L35.9Very low36.4Very low161 Ų161133.7 Ų133.784%0.84380%0.804SS**  trans93.1150.1152.1-117.191.8000124.9
633Q41Very low35.6Very low180 Ų180132.4 Ų132.484%0.84179%0.788SS**  trans82.6150.2156-131.3164.21.600120.8
634S37Very low34Very low102 Ų102134.4 Ų134.471%0.71379%0.789SS**  174.7102.6-68.2165.70000113.2
635Q42.7Very low34.1Very low202 Ų202130.3 Ų130.394%0.94479%0.786SS**  trans169.1157.2149.9-100.3168.90.800111.2
636G31.5Very low33.8Very low86 Ų86130.1 Ų130.189%0.88778%0.784SS**  trans95.3148.8179.900000114
637G31.4Very low33.8Very low66 Ų66126.2 Ų126.268%0.6877%0.767SS**  trans-134.5142-174.400000113.9
638T37.5Very low33.2Very low151 Ų151127.1 Ų127.193%0.92677%0.767SS**SBendtrans59.8154.7167.735.20000118.9
639A28.6Very low32.8Very low101 Ų101127.8 Ų127.884%0.83577%0.768SS**  trans59.6119.4-177.900000117.8
640R30.4Very low32.6Very low196 Ų196128.3 Ų128.374%0.7477%0.767SS**  trans-17070.7149.5-115.9178.7175.7165.72.7112.9E644R640-E644 IonicContact CZ-OE2 2.67Å; R640-E644 IonicContact NH2-OE1 3.76Å; R640-E644 IonicContact NH2-OE2 3.93Å; R640-E644 PolarHBondContact NH2-OE2 2.83Å
641T33.6Very low32.3Very low131 Ų131129.7 Ų129.780%0.80476%0.761SS**SBendtrans-72.9175.8132.632.80000108.7E643T641-E643 PolarHBondContact O-N 3.03Å
642G27.5Very low32.1Very low86 Ų86133.6 Ų133.689%0.88776%0.757SS**SBendtrans-67.2102.3-166.400000115.5
643E28.8Very low31.5Very low106 Ų106131.1 Ų131.150%0.49574%0.744SS.*  trans-144.6151.3155.4-78.1169.97200105.7T641 G646 A647T641-E643 PolarHBondContact O-N 3.03Å; E643-G646 WeakPolarHBondContact OE1-CA 3.42Å; E643-A647 PolarHBondContact OE1-N 2.89Å
644E26.6Very low30.7Very low145 Ų145129.7 Ų129.768%0.67874%0.742SS**SBendcis-84.6156.616.5-5599.5128.600115.3R640R640-E644 IonicContact CZ-OE2 2.67Å; R640-E644 IonicContact NH2-OE1 3.76Å; R640-E644 IonicContact NH2-OE2 3.93Å; R640-E644 PolarHBondContact NH2-OE2 2.83Å
645D31.6Very low30.2Very low167 Ų167128.5 Ų128.589%0.89374%0.739SS**SBendcis-122.9131.80.9-54-80.7000110.3
646G29.1Very low29.4Very low57 Ų57127.5 Ų127.559%0.58873%0.734SS**  cis167.9163-10.400000113E643E643-G646 WeakPolarHBondContact OE1-CA 3.42Å
647A36.8Very low29.2Very low64 Ų64131.7 Ų131.753%0.52973%0.73SS.*  trans120.9128.7147.800000119.7E643E643-A647 PolarHBondContact OE1-N 2.89Å
648E29.4Very low28.9Very low167 Ų167131.4 Ų131.478%0.7873%0.728SS**  trans28.2149.3155.6-67.684.6-85.100124.3
649E29.6Very low28.3Very low169 Ų169133.6 Ų133.679%0.7973%0.728SS**  cis-170.1174.8-37.3-128.1178.7172.100112
650E28.6Very low28.1Very low155 Ų155132.9 Ų132.972%0.72472%0.722SS**  trans37.6141.7159.5-61.3-147.2125.600127
651E26.8Very low27.9Very low144 Ų144131.3 Ų131.367%0.67373%0.725SS**  trans53.2159.6143.4-73.2-139.9143.700123.2
652R28.8Very low27.5Very low169 Ų169131.7 Ų131.764%0.63872%0.717SS**  cis178.5157.2-27.3171.1169.8168.4-154.1-19.8112.3
653D24.5Very low27.2Very low110 Ų110134.1 Ų134.159%0.58872%0.715SS**  trans58.3162.7165.5-65.2-6.5000115.7
654D23.7Very low27Very low149 Ų149135.8 Ų135.880%0.79772%0.723SS**  cis-146.6-170.3-14.7-135.3-42.8000112.4
655A27.4Very low26.8Very low77 Ų77136.4 Ų136.464%0.63673%0.726SS**  trans-91.6-167.9-164.800000118.7
656E25.8Very low26.5Very low181 Ų181133.4 Ų133.485%0.84672%0.718SS**  trans70.8161.4160.1-71.3-173.7153.600118.9
657E25.7Very low26.2Very low174 Ų174135.4 Ų135.481%0.81372%0.723SS**  cis-159.9144.2-31.9-178-173.6-147.300109.3
658G25.2Very low25.6Very low61 Ų61137.3 Ų137.363%0.62973%0.731SS**  trans79.4163.8137.300000122.4
659Q26.3Very low25.4Very low197 Ų197137.7 Ų137.792%0.92173%0.733SS**  trans63.9164.4162-54.3-177.415.800118.6
660A24.5Very low25.1Very low86 Ų86135.1 Ų135.171%0.71173%0.729SS**  cis-172.2168.2-49.800000109.4
661M25Very low25.1Very low163 Ų163134.3 Ų134.380%0.80373%0.728SS**  trans78.6159.1147.6-155.9120.715500120.2
662E25Very low25.1Very low139 Ų139135 Ų13565%0.6573%0.732SS**  trans67.295.5158.7-86.5156.2-144.200121.3
663T22.2Very low25.1Very low137 Ų137135 Ų13584%0.8474%0.739SS**  -68.2130.312143.70000110.6
664Q24.6Very low25.2Very low140 Ų140138.2 Ų138.265%0.65475%0.751SS**  trans-152.8134.2142.5-117.2176.1-82.900110.2
665E23Very low25.4Very low159 Ų159135.1 Ų135.174%0.74375%0.746SS**  54.6150.9124.7-84.6178.5166.600121.3
666S23.9Very low25.3Very low103 Ų103137.8 Ų137.872%0.7275%0.749SS**  cis-157.7-177.64.2-168.30000110.7
667S24.4Very low25.3Very low99 Ų99139 Ų13969%0.69275%0.746SS**  trans83.992.3147.3-150.60000119.1
668C22.3Very low25.3Very low105 Ų105136 Ų13671%0.70974%0.744SS**  57.3130111.9-61.70000122.4
669E25.3Very low26.5Very low175 Ų175138 Ų13882%0.81875%0.746SS**  trans88.7114.5133.1-74.8-174.2164.800122.1
670V24.8Very low26.5Very low115 Ų115135.3 Ų135.370%0.69774%0.738SS**  86.2117.1121.3172.20000119.7
671L29Very low26.7Very low137 Ų137137 Ų13772%0.71773%0.734SS**  trans71.2109.4155.8-65.1167.4000121.2
672E26.4Very low26.7Very low159 Ų159136.8 Ų136.874%0.74373%0.731SS**  54.7136.5123.8-59.6-170.3123.500123.7
673Q28.3Very low26.7Very low168 Ų168136.4 Ų136.479%0.78574%0.738SS**  trans110.8103130.4-142.915681.400120
674E25.5Very low27.7Very low179 Ų179136 Ų13684%0.83674%0.738SS**  trans68.6150.5137.3-70.5-70.7104.100124.2
675A28.8Very low27.7Very low84 Ų84133 Ų13369%0.69474%0.744SS**  trans76.290.614700000123.3
676D25.1Very low28Very low132 Ų132132.3 Ų132.371%0.70675%0.751SS**  76.4158.2117.8-16435.3000122.5
677R25.6Very low28.3Very low207 Ų207133 Ų13378%0.78176%0.756SS**  trans76.185.5166.2-85.6169.1168.886.5-7121.7
678S26.7Very low28.6Very low110 Ų110131.3 Ų131.377%0.76975%0.754SS**  -5.2164113.5-63.50000119.9
679P50.4Low29Very low103 Ų103138.1 Ų138.167%0.66977%0.765SS**  cis-142.6-169.3-18.835.4-13.7000115.7
680N26.8Very low29.1Very low141 Ų141139.8 Ų139.875%0.75476%0.764SS**  trans74.4161.2156.7-71.1-30.8000117.6
681L27Very low29.2Very low122 Ų122145.2 Ų145.264%0.63977%0.772SS**  cis-155.5161.111.3-155.959.3000111.9
682Q26.3Very low28.9Very low158 Ų158144.4 Ų144.474%0.73877%0.773SS**  trans59.8135.8158.7-78.1144.92.700119.4
683V25.4Very low28.8Very low132 Ų132144.8 Ų144.880%0.878%0.776SS**  cis75.1132.335-177.70000113.4
684P41.9Very low28.6Very low128 Ų128140.4 Ų140.483%0.83176%0.764SS**  cis-127.4-172.9-15.340.1-23.4000114.1
685G25.8Very low28.7Very low76 Ų76139.3 Ų139.378%0.78476%0.764SS**  trans-179112.8166.600000117.9
686T27.6Very low28.7Very low146 Ų146141.3 Ų141.390%0.89677%0.768SS**  trans-65.7165.3162.545.70000112.1
687S31.2Very low28.8Very low118 Ų118139.4 Ų139.483%0.82577%0.771SS**  cis177.1154.6-14.9176.20000105.6
688G29.7Very low29Very low63 Ų63133.5 Ų133.565%0.64977%0.766SS**  cis140.6162.4500000111
689R31.7Very low29.2Very low248 Ų248136 Ų13694%0.93677%0.765SS**  trans82.1140.7-179.8-162.6-174-161.9172.15.4115.1
690R27.3Very low28Very low209 Ų209140.3 Ų140.379%0.78977%0.774SS**  cis-173.2156.5-23.2178.4-175.3-78.5-135.81.4107.6
691R27Very low28Very low229 Ų229137 Ų13786%0.86477%0.773SS**  trans96.3139.2172.5-58.1174.5-174.6-177.32.6111.7
692T23.5Very low28Very low120 Ų120137.8 Ų137.874%0.73678%0.783SS**  cis-152154.44-5.10000111.4
693M22.3Very low28.6Very low167 Ų167135.3 Ų135.382%0.82378%0.78SS**  trans35.9140.9144.6-55.2-106.8-76.600120.9
694S25.9Very low28.7Very low76 Ų76136 Ų13653%0.53178%0.779SS.*  cis-176.8145.7-8.5-92.80000109
695N27.1Very low28.1Very low157 Ų157136.8 Ų136.884%0.8478%0.775SS**  trans64.7161.9172.8-41.6-36.9000113.4
696T28.3Very low28.2Very low126 Ų126139 Ų13977%0.77377%0.769SS**  cis-133.3135.49.5370000109.2
697A28Very low28.3Very low92 Ų92136.3 Ų136.376%0.7676%0.762SS**  60.292.685.500000116.6
698A29.6Very low28.1Very low83 Ų83139.1 Ų139.169%0.68676%0.762SS**  trans72164.5144.400000118.4
699H30.3Very low28.1Very low162 Ų162140.1 Ų140.175%0.7576%0.764SS**  cis-144.5170.912.5-104.7-55.8000112.5
700K25.8Very low28Very low194 Ų194137.4 Ų137.484%0.84376%0.762SS**  trans20.7138.7147.5-58171.7-179.4175.60119.8
701G25.8Very low28.2Very low72 Ų72131.5 Ų131.574%0.74276%0.758SS**  cis165.2-167.33.700000114.8
702T28Very low28.2Very low137 Ų137124.5 Ų124.584%0.8476%0.757SS**  trans-62.3162-176.7-13.70000114.4
703P38.6Very low28.5Very low106 Ų106123.6 Ų123.669%0.68876%0.761SS**  -148.9143.597.933.2-14.4000118.1
704L28Very low28.9Very low148 Ų148123.3 Ų123.378%0.77576%0.763SS**  trans68139.3147.9-58.8167000118.1
705L28.9Very low29.3Very low144 Ų144128.1 Ų128.175%0.75478%0.776SS**  cis-156.6177.7-0.8-99.8164.1000108.1
706N26.7Very low29.5Very low121 Ų121129.7 Ų129.765%0.64778%0.776SS**  cis-116.9-105.1-1.4-172.520.5000112.5
707A29.7Very low29.7Very low90 Ų90129.8 Ų129.874%0.74478%0.776SS**  cis-155.4170.81.600000112.1
708E27.3Very low29.8Very low178 Ų178131.5 Ų131.583%0.83278%0.777SS**  trans-115150.2-171.1-72.2167.5126.800111.7
709A30.3Very low30.1Very low84 Ų84132.5 Ų132.569%0.69477%0.774SS**  cis-160164.2-6.900000111.8
710E30.8Very low30.3Very low191 Ų191130.4 Ų130.489%0.89377%0.773SS**  trans56.1145.5156.5-64.2-112.611200120.4
711A30.1Very low30.4Very low84 Ų84131.2 Ų131.269%0.69477%0.772SS**  cis-165.4167.7-16.700000110.4
712G27.4Very low30.7Very low82 Ų82133.6 Ų133.685%0.84577%0.772SS**  trans113.6102157.900000117.2
713A30.1Very low31Very low101 Ų101133.7 Ų133.784%0.83577%0.773SS**  trans-141.2137.7166.800000111.6
714L31.3Very low30.9Very low162 Ų162134.8 Ų134.885%0.84878%0.777SS**PPolyproline II helixtrans-85125.9-169-178.668.6000112.9K716L714-K716 PolarHBondContact O-N 3.29Å
715H33.7Very low31.1Very low176 Ų176131.2 Ų131.282%0.81578%0.776SS**PPolyproline II helixtrans-68.2124.1171.9-85.4-93.8000112
716K31.3Very low31.1Very low191 Ų191134.6 Ų134.683%0.8378%0.784SS**PPolyproline II helixtrans-95.5121164.1-71.6-179.2178176.30109.6L714L714-K716 PolarHBondContact O-N 3.29Å
717V32.1Very low31.4Very low127 Ų127133.6 Ų133.677%0.7779%0.793SS**PPolyproline II helixtrans-92123.6173.3178.30000109.2
718T30.8Very low31.5Very low128 Ų128133 Ų13379%0.78580%0.795SS**  trans-102.8104.9169.945.10000110.4
719T35.7Very low31.7Very low104 Ų104135.9 Ų135.964%0.63880%0.798SS**  trans-70126.8173.7-54.80000111Y721T719-Y721 HydrophobicContact CG2-CE2 4.31Å
720V33.2Very low31.8Very low119 Ų119137.2 Ų137.272%0.72180%0.8SS**  trans-107.6121.5171.2179.50000108.9
721Y28.3Very low31.8Very low211 Ų211134.9 Ų134.983%0.82780%0.798SS**  trans-81.4126.7175.3-71.4-91.8000110.5T719T719-Y721 HydrophobicContact CG2-CE2 4.31Å
722V32.9Very low31.8Very low121 Ų121137.1 Ų137.173%0.73380%0.804SS**  trans-114113.7173.2-178.40000109.3V724V722-V724 HydrophobicContact CG1-CG2 4.18Å; V722-V724 PolarHBondContact O-N 3.29Å
723T35Very low31.9Very low140 Ų140141.4 Ų141.486%0.85980%0.799SS**  trans-88.9104.1179.351.20000111.1
724V36.3Very low31.7Very low129 Ų129143.4 Ų143.478%0.78280%0.801SS**PPolyproline II helixtrans-96.4128.3174.8-1730000110.3V722V722-V724 HydrophobicContact CG1-CG2 4.18Å; V722-V724 PolarHBondContact O-N 3.29Å
725G30.8Very low31.8Very low72 Ų72141.4 Ų141.474%0.74279%0.787SS**PPolyproline II helixtrans-73141-179.200000113.4
726K30.1Very low32.2Very low216 Ų216138.9 Ų138.994%0.93979%0.787SS**PPolyproline II helixtrans-78.7119.3174.8-75.9-179.9175.51750111.5
727A32.8Very low32.1Very low99 Ų99134.7 Ų134.782%0.81878%0.781SS**PPolyproline II helixtrans-92.5161.7157.800000110.8
728G31Very low32.1Very low77 Ų77133.4 Ų133.479%0.79478%0.778SS**PPolyproline II helixtrans-72.8149-17200000115.2
729R32.5Very low32Very low239 Ų239136.8 Ų136.890%0.90279%0.785SS**PPolyproline II helixtrans-83.5127.9173.1177.8-170.2-82.8-158.2-3.3110.3
730P31.6Very low31.9Very low113 Ų113135.1 Ų135.173%0.73479%0.788SS**PPolyproline II helixtrans-77.9156.4168.932.7-34.3000112.2
731V30.8Very low32.7Very low141 Ų141135.4 Ų135.486%0.85579%0.793SS**PPolyproline II helixtrans-85.8135.6-178.2176.20000111.1
732T30.6Very low32.7Very low132 Ų132131.2 Ų131.281%0.8179%0.789SS**PPolyproline II helixtrans-77.5126.9172.146.80000111.3
733K28.3Very low32.7Very low172 Ų172134 Ų13475%0.74879%0.794SS**PPolyproline II helixtrans-82.8156.1166.9-95.2-174154.8-153.50111.6E735K733-E735 IonicContact NZ-OE1 3.53Å; K733-E735 PolarHBondContact NZ-OE1 3.2Å
734T27.2Very low32.5Very low142 Ų142132.4 Ų132.487%0.87180%0.795SS**  trans-112.3144.3154.9-37.90000107.8
735E32.8Very low32.1Very low120 Ų120134.3 Ų134.356%0.56180%0.797SS**  trans-130.4153.7-177.1-81.4-76.1157.200107.9K733 S737K733-E735 IonicContact NZ-OE1 3.53Å; K733-E735 PolarHBondContact NZ-OE1 3.2Å; E735-S737 PolarHBondContact OE2-N 3Å
736P42.7Very low32.2Very low124 Ų124137 Ų13781%0.80579%0.794SS**  -146.8123.990.834.7-15.6000116.9
737S28.3Very low32.3Very low102 Ų102137.8 Ų137.871%0.71379%0.791SS**  62.8113.7120.1176.40000121.3E735E735-S737 PolarHBondContact OE2-N 3Å
738S31.7Very low32.1Very low100 Ų100145 Ų14570%0.69980%0.797SS**  -164.9122.1127.160.10000113.6
739E29.6Very low32.1Very low199 Ų199149.9 Ų149.993%0.9380%0.804SS**  trans62.5162.8148.7-57.8-179.4147.700121.1
740G34.3Very low31.8Very low69 Ų69141.5 Ų141.571%0.71179%0.792SS**  trans-169.7-158.1179.700000109.2
741P48.3Very low31.6Very low125 Ų125141.7 Ų141.781%0.81280%0.796SS**  cis-127.7-164.2-9.740.1-22.3000112.2
742V29.2Very low31.5Very low123 Ų123142.2 Ų142.275%0.74579%0.793SS**  trans153131.2137.9164.20000113.9
743Q33.2Very low31.6Very low180 Ų180142.7 Ų142.784%0.84179%0.786SS**  trans-3.4141.7163.4-57.7165.9-5900122.1
744A31.4Very low31.6Very low106 Ų106144.2 Ų144.288%0.87679%0.787SS**  167.3168.5109.400000113.4
745M27.7Very low31.6Very low170 Ų170144.7 Ų144.784%0.83778%0.78SS**  trans-117.4148.8-169.1-99.4-170.1175.100115.4
746L33.1Very low31.4Very low128 Ų128145.9 Ų145.967%0.6778%0.783SS**  trans65.1131.8141.4-71.3168.5000122.9
747R31.9Very low30.8Very low232 Ų232146.4 Ų146.488%0.87578%0.775SS**  trans69.8134.1145.9-66.1170.8-178.3-178.81.4119.4
748R28.4Very low31Very low250 Ų250149.2 Ų149.294%0.94378%0.777SS**  trans-115.6137.6160.3-81.6-172.1172.4-163.5-1.4109.8
749L29.9Very low30.9Very low180 Ų180151.3 Ų151.394%0.94278%0.78SS**  trans-160.5122.3163.5-134.3173.6000111.4
750G26.3Very low30.8Very low64 Ų64144.9 Ų144.966%0.6677%0.768SS**  trans94.2144.4155.900000119
751S28.4Very low30.6Very low116 Ų116145.2 Ų145.281%0.81177%0.771SS**  trans56.7153.2163.6-72.10000120.2
752L29.2Very low29.8Very low152 Ų152150.7 Ų150.780%0.79678%0.775SS**  cis163.6155.6-30.7-110.2166.2000106.6
753Q31.4Very low29.8Very low142 Ų142150.9 Ų150.966%0.66478%0.782SS**  trans97.494.5150.6-15177.8-28.200121.1
754R28.1Very low29.8Very low204 Ų204151.9 Ų151.977%0.7778%0.784SS**  trans66.5158.5151-68.4-179.1176.8-160.9-2.1117.3
755Q28.6Very low29.8Very low152 Ų152152.7 Ų152.771%0.7178%0.783SS**  cis-144.8136.26-125.2155.3-112.100107
756K27.8Very low30.2Very low145 Ų145151.2 Ų151.263%0.6377%0.772SS**  92.7120.575.9175.5-88-166-75.70113.4
757E31Very low31.1Very low136 Ų136151 Ų15164%0.63678%0.778SS**  cis-95.5-96.5-26.4-72.283.5-17300110.9
758Q32.4Very low31.2Very low161 Ų161143.2 Ų143.275%0.75276%0.764SS**  cis-159.8160.4-9.6-140.4-162.3-4200106.3
759D28.9Very low31.4Very low143 Ų143139 Ų13977%0.76575%0.754SS**  cis-140.5-127.71.1-166.9-98000110.4
760G28.1Very low31.6Very low65 Ų65133.9 Ų133.967%0.6775%0.746SS**  trans-83.8165.1179.400000115.4
761G28.8Very low32Very low76 Ų76138.6 Ų138.678%0.78475%0.754SS**  cis168.5-174.3-100000111.9
762R31.4Very low32.2Very low239 Ų239139 Ų13990%0.90275%0.751SS**  cis-159.1-11.1-5.3-144.5173.469.3178.20.8116.2
763S30.2Very low32Very low127 Ų127141.4 Ų141.489%0.88876%0.755SS**  trans-96.6155.8-169.1490000115.2
764K32.1Very low33.6Very low202 Ų202140.2 Ų140.288%0.87876%0.76SS**  trans-141.8161.8-167.5-63.6174.9176.1174.60112.6
765S32.2Very low34.9Very low122 Ų122136.6 Ų136.685%0.85376%0.763SS**  trans-146.1160133.757.50000111
766K36.7Very low35.3Very low140 Ų140140.5 Ų140.561%0.60977%0.771SS**  trans-151.6171.9-177.5-126-153.4165.1-1690107.6A768 E769K766-A768 PolarHBondContact NZ-O 2.65Å; K766-E769 IonicContact NZ-OE1 3.62Å; K766-E769 PolarHBondContact NZ-OE1 3.11Å; K766-E769 IonicContact NZ-OE2 3.13Å; K766-E769 PolarHBondContact NZ-OE2 3.01Å
767P51Low35.8Very low122 Ų122144 Ų14479%0.79278%0.78SS**  cis-93.6-17036.240-41.9000114
768A34.9Very low36.1Very low70 Ų70145.5 Ų145.558%0.57979%0.785SS**  cis-153.6-166.122.100000116K766K766-A768 PolarHBondContact NZ-O 2.65Å
769E33Very low36.2Very low160 Ų160145.6 Ų145.675%0.74879%0.79SS**  trans-145.1173.8-166.9-101.661.3-127.500109.5K766K766-E769 IonicContact NZ-OE1 3.62Å; K766-E769 PolarHBondContact NZ-OE1 3.11Å; K766-E769 IonicContact NZ-OE2 3.13Å; K766-E769 PolarHBondContact NZ-OE2 3.01Å
770G33.8Very low36.3Very low74 Ų74142.3 Ų142.376%0.76379%0.79SS**  cis164.3-3.80.300000117.8
771I34.2Very low36.7Very low163 Ų163144.1 Ų144.184%0.83680%0.798SS**  trans-94.4134.3-170.7-65.1174.4000112.2
772T32.2Very low37Very low123 Ų123152.3 Ų152.376%0.75581%0.805SS**  cis-156.1174-17.725.60000109.4
773K26Very low37.1Very low203 Ų203145.1 Ų145.188%0.88380%0.797SS**  trans-124.7-153.7176.8-45.3-176.6174.5178.10113.7
774P64Low37.2Very low117 Ų117143.4 Ų143.476%0.7679%0.791SS**  trans-124.9-161.3-142.939-14.6000114.2
775P55.5Low37.3Very low128 Ų128139.9 Ų139.983%0.83179%0.786SS**  trans-142.3-175143.537-20.2000116.8
776R37.8Very low37.1Very low234 Ų234144.8 Ų144.888%0.88379%0.786SS**  trans-92.5-167.4-179.8-61.8165.7160.1153.4-11.2110.5
777R37Very low37.1Very low218 Ų218144.6 Ų144.682%0.82379%0.787SS**  cis-179.9141.235.2-147.3-172.1-172.2-176.42.3114.3
778K37.5Very low36.2Very low169 Ų169147.2 Ų147.274%0.73579%0.789SS**  trans57.7142139.7-94.1-168.3165.2-160.90126.1
779L35.6Very low35.8Very low163 Ų163147.8 Ų147.885%0.85380%0.801SS**  trans85.2142.6139.9-73.7167.1000122.4
780G29.5Very low35.6Very low74 Ų74143.8 Ų143.876%0.76380%0.803SS**  trans155.3147.5171.600000112.6
781A36.6Very low36.4Very low102 Ų102146.2 Ų146.284%0.84381%0.805SS**  trans-161.1149.3-17800000117
782R36.1Very low36.3Very low248 Ų248144 Ų14494%0.93681%0.805SS**  trans74.5140.7149.4-145.7175.2-177.9152.9-0121.1
783A32.9Very low36.2Very low89 Ų89142 Ų14274%0.73681%0.808SS**  trans80.9105152.600000123.4
784A33.5Very low36.5Very low91 Ų91136 Ų13675%0.75280%0.803SS**  67.8121.1115.200000125.4
785V32.9Very low34.8Very low127 Ų127140.1 Ų140.177%0.7781%0.813SS**  85.2151.5129.21710000121.2
786W29.2Very low33.8Very low226 Ų226138.3 Ų138.386%0.85681%0.809SS**  trans77.1146.7172.3-78.7-10.4000119
787E35.6Very low33.4Very low136 Ų136137.1 Ų137.164%0.63681%0.81SS**  cis-167.7177.7-23.9-145.8-169.1-158.200111.9
788Q31.9Very low34.2Very low176 Ų176132 Ų13282%0.82281%0.805SS**  trans77.5142.6153.8-70.3166.840.700123.1
789G27.2Very low33.9Very low82 Ų82130.6 Ų130.685%0.84581%0.81SS**  trans14394.4155.500000118.3
790G28.8Very low33.5Very low76 Ų76134.1 Ų134.178%0.78481%0.812SS**  trans-101-157.1163.700000112.6
791P51.4Low33.4Very low125 Ų125140.8 Ų140.881%0.81281%0.814SS**  cis-144.7-163.913.444.5-24.2000116.9
792S31.1Very low33.1Very low118 Ų118144.3 Ų144.383%0.82581%0.811SS**  trans74.1138.5172.476.20000117.8
793G30.3Very low32.9Very low80 Ų80139 Ų13983%0.82580%0.801SS**  cis104.8124.4-10.100000115.1
794G31.5Very low32.8Very low76 Ų76138.7 Ų138.778%0.78480%0.798SS**  cis167.3-179.5-3.200000111.2
795E29.3Very low32.6Very low204 Ų204139.6 Ų139.695%0.95380%0.799SS**  trans-156.8158.3166-125-173.7159.400112.7
796A33.4Very low32.6Very low91 Ų91139 Ų13975%0.75280%0.801SS**  trans-164.1159.3-171.200000114.8
797K31.2Very low32.8Very low208 Ų208131.4 Ų131.490%0.90479%0.793SS**  trans-170.3159.4147.9-107.7150.6-170.8167.30115.2
798P53.2Low32.6Very low111 Ų111132.4 Ų132.472%0.72180%0.801SS**  trans-135.8-174.4-172.540.2-19.7000116.7
799V30.1Very low32.4Very low139 Ų139128 Ų12884%0.84279%0.789SS**  trans73.6109.9160.5-172.70000120.6
800R27.7Very low32.5Very low237 Ų237133.1 Ų133.189%0.89479%0.791SS**  trans-170.5163.7140.8-140.7153.8174.6148.4-4.7109.2
801R28.4Very low32.9Very low214 Ų214133.9 Ų133.981%0.80879%0.79SS**  174123.6-51-176.2-171.9-161.9-167.88.5105.7
802K29Very low32.8Very low176 Ų176133.8 Ų133.877%0.76579%0.789SS**  trans75.9138.4163.5-92-166.3167.1-168.70121.9
803N32.5Very low34.3Very low137 Ų137134.1 Ų134.173%0.73379%0.789SS**  trans75.8155.7142.7-70.926.4000121.6
804A29.9Very low34.3Very low83 Ų83136.3 Ų136.369%0.68679%0.791SS**  cis179122.9-39.500000112.1
805S30.9Very low34.8Very low109 Ų109142.5 Ų142.576%0.76280%0.8SS**  trans-172108.9149.552.10000107.4
806S32.9Very low34.8Very low116 Ų116136.4 Ų136.481%0.81179%0.792SS**  69.5118.368.8-57.80000112
807G32Very low35.2Very low66 Ų66139.2 Ų139.268%0.6879%0.794SS**  cis-154.1163.93.800000113.4
808I31.6Very low35.5Very low157 Ų157135.4 Ų135.481%0.80579%0.789SS**  85.3127.273.5-69.6165.7000110.8
809S28.8Very low35.3Very low83 Ų83135.2 Ų135.258%0.5879%0.787SS**  cis-171152.1-11.151.10000111.8
810E28.3Very low35.4Very low190 Ų190138.4 Ų138.489%0.88879%0.79SS**  trans58149.6141.3-67.4173130.400122.8
811A36.5Very low35.7Very low91 Ų91138.6 Ų138.675%0.75279%0.791SS**  trans-101.3166.1165.600000110
812P49.6Very low36.7Very low124 Ų124133.9 Ų133.981%0.80579%0.787SS**  -146.2177.996.933.5-13.8000114.2
813P62.5Low36.6Very low125 Ų125133 Ų13381%0.81279%0.791SS**  trans-101.1168.8-168.239-35.9000116
814S31.9Very low36.4Very low125 Ų125131.9 Ų131.987%0.87479%0.793SS**  trans-153.9162.1165.556.90000112.1
815E41.3Very low36.2Very low206 Ų206132.5 Ų132.596%0.96379%0.793SS**  trans-104.3164.1-173.5-60-172.3128.500114.4
816G28.4Very low36.2Very low77 Ų77135.2 Ų135.279%0.79480%0.797SS**  trans-177.7143168.100000113.6
817N41.8Very low36Very low150 Ų150136.2 Ų136.280%0.80279%0.792SS**  trans-126.1120.3-164.8-113.9-37000115
818T37.7Very low35.6Very low128 Ų128142.1 Ų142.179%0.78580%0.799SS**  trans65.2175.1156.574.20000116.9
819P49.4Very low35.4Very low106 Ų106140.1 Ų140.169%0.68880%0.799SS**  cis-139.2177.64.844-25.3000118.5
820K31.5Very low36Very low206 Ų206142.6 Ų142.690%0.89681%0.811SS**  trans40.7135.9152.6-67.8-179.4-174.5179.10123.5
821R34.9Very low36.6Very low242 Ų242138.1 Ų138.191%0.91380%0.798SS**  trans-34.7155157.9-91.3-177.4-177.9-179.91.4115.7
822P48.7Very low36.2Very low114 Ų114142 Ų14274%0.7480%0.801SS**  -156.5174.361.744.2-23.5000121.1
823L27.2Very low35.2Very low159 Ų159141.7 Ų141.783%0.83280%0.796SS**  trans17125.7148.7-65166.9000122.9
824S28.9Very low33.7Very low113 Ų113140.1 Ų140.179%0.7979%0.794SS**  -154.5147.5112.661.10000109
825S26.5Very low33.6Very low96 Ų96141.2 Ų141.267%0.67180%0.795SS**  cis8982.38.287.20000118.1
826I30.8Very low33Very low165 Ų165135.1 Ų135.185%0.84679%0.787SS**  trans-176.9143.4156-100147.7000107.8
827L27.8Very low32.9Very low137 Ų137134.7 Ų134.772%0.71778%0.783SS**  cis-160.1162.3-34.6-117174.6000107.8
828K23.9Very low32.4Very low190 Ų190133.8 Ų133.883%0.82679%0.788SS**  trans1.9135161.5-64.9167-173.5-179.70118.1
829S27.8Very low31.9Very low115 Ų115131.3 Ų131.380%0.80479%0.788SS**  -155.814379.247.80000118
830V40.4Very low31Very low136 Ų136133.8 Ų133.882%0.82480%0.795SS**  trans-125.7131150.8168.80000103
831P41.7Very low30.8Very low96 Ų96135.1 Ų135.162%0.62379%0.794SS**  -130.7169.181.45.221.2000114.2
832E27.5Very low30.5Very low173 Ų173127.7 Ų127.781%0.80879%0.785SS**  56.114975.3-39.4172.594.600113.6
833V28.7Very low29.5Very low117 Ų117130 Ų13071%0.70979%0.787SS**  cis-151.6126.631.1173.80000107
834A30.3Very low29.7Very low92 Ų92130.8 Ų130.876%0.7679%0.787SS**  81.5177.970.400000116.2
835V30.4Very low29.7Very low148 Ų148128.5 Ų128.590%0.89778%0.781SS**  trans79.6130.6-175.6-168.40000115.4
836G28Very low29.9Very low77 Ų77130.4 Ų130.479%0.79479%0.788SS**  cis171.4164.8-7.600000114.6
837G27.1Very low29.9Very low69 Ų69129.3 Ų129.371%0.71178%0.784SS**  trans128.1100.8-177.900000111.3
838S31.1Very low30.3Very low130 Ų130127.1 Ų127.191%0.90979%0.786SS**  cis79.2113.332.3-470000114.4
839G27.6Very low30.7Very low77 Ų77122.4 Ų122.479%0.79478%0.783SS**  trans158.851.6165.800000123.1
840L30.6Very low31Very low158 Ų158122.1 Ų122.183%0.82779%0.787SS**  trans41.6136.9133.3-94.4160000124
841R26.6Very low30.5Very low234 Ų234118.7 Ų118.788%0.88378%0.779SS**  trans82.1159.2159-58.1170.8-171.2-166.43.1118
842A28.7Very low30Very low86 Ų86123 Ų12371%0.71179%0.791SS**  cis176.8166.5-37.200000109.5
843M28.9Very low30.2Very low161 Ų161119.7 Ų119.779%0.79378%0.783SS**  trans85.9115.5-175.4-53-50.1-155.200114.1
844Q30.8Very low30.5Very low177 Ų177122.5 Ų122.583%0.82779%0.788SS**  77.3128.761.2-72-175-21.300113.1
845G28.5Very low30.4Very low65 Ų65123.6 Ų123.667%0.6779%0.789SS**  cis-156.4166.90.500000112.1
846V31.8Very low30.6Very low135 Ų135121 Ų12182%0.81878%0.777SS**  100.9124.966.71570000111.3
847D30.6Very low30.8Very low143 Ų143126.8 Ų126.877%0.76578%0.777SS**  cis-168.1177.8-20-138109.9000112.2
848A35.7Very low31Very low91 Ų91130.6 Ų130.675%0.75278%0.78SS**  trans74.4151.5153.900000120.4
849A32.2Very low31.1Very low91 Ų91130.2 Ų130.275%0.75277%0.772SS**  cis-146.6138.1500000114.9
850A33.6Very low31.3Very low108 Ų108133.3 Ų133.389%0.89378%0.775SS**  40.5148.112700000122.9
851G29.3Very low31.1Very low65 Ų65129 Ų12967%0.6777%0.769SS**  cis-167.6151.6-0.600000110.8
852Q32.6Very low32.8Very low187 Ų187123.9 Ų123.987%0.87477%0.766SS**  67.6140.185.6-79.4-162.9-4300116.9
853T32.2Very low33.2Very low102 Ų102127.1 Ų127.163%0.62678%0.777SS**  cis-176.6141.1-32.713.20000110.2
854E34.4Very low33.6Very low177 Ų177122.7 Ų122.783%0.82777%0.773SS**  trans56.2176.4153.3-56-176.3108.800118.5
855C28.1Very low33.8Very low115 Ų115123.1 Ų123.178%0.77778%0.775SS**  cis-146.2-155.3-1.1-1520000111.1
856S34.2Very low34.1Very low93 Ų93125.3 Ų125.365%0.6578%0.776SS**  trans-142.9-170.8-177.562.20000112.4
857Y32.5Very low34.2Very low199 Ų199125.1 Ų125.178%0.7878%0.775SS**  cis-167.2-166.820.137-140.5000112.2
858L31Very low34.3Very low149 Ų149127.1 Ų127.178%0.7878%0.779SS**  trans97.8167.4158.5-73.8168000121.8
859T34Very low34.1Very low121 Ų121127 Ų12774%0.74278%0.779SS**  trans-125.7169.7-155.945.10000113.4
860V31.5Very low33.9Very low142 Ų142130.1 Ų130.186%0.86178%0.781SS**  169.9151.690161.10000110.7
861G26.8Very low33.8Very low68 Ų68130.5 Ų130.570%0.70177%0.772SS**  trans140.5129.8143.800000120.1
862P62.1Low33.9Very low126 Ų126133.1 Ų133.182%0.81877%0.771SS**  trans-137.2172.4-17044.6-29.8000120.6
863T36.4Very low33.7Very low154 Ų154132.1 Ų132.195%0.94577%0.767SS**  trans-166.9170.2160.527.80000110.1
864G36.3Very low33.4Very low68 Ų68130.9 Ų130.970%0.70177%0.774SS**  cis162.8122.1-12.100000115.1
865E36.4Very low33.1Very low187 Ų187127.7 Ų127.787%0.87478%0.778SS**  trans60.8152.2169.2-64-166.5130.600120.1
866T35Very low33.2Very low111 Ų111126.2 Ų126.268%0.68177%0.774SS**  cis-149.5159.212.6-11.10000114.8
867T33.8Very low32.9Very low130 Ų130128.1 Ų128.180%0.79878%0.777SS**  trans78.2136.3154.835.60000125.7
868Q32.1Very low32.6Very low185 Ų185125.5 Ų125.586%0.86478%0.776SS**  trans84.1124.3161.7-65.6-163.55.800122.9
869A31.6Very low32.5Very low90 Ų90127 Ų12774%0.74478%0.779SS**  trans31.399.3154.200000119.2
870I28.3Very low32.9Very low155 Ų155126.3 Ų126.380%0.79578%0.777SS**  cis70.8113.339.9-52.1174.9000113.9
871T31.8Very low32.6Very low116 Ų116124.4 Ų124.471%0.71277%0.768SS**  cis-149.6-143.2-21.533.70000106.3
872N31.1Very low32.5Very low121 Ų121130.6 Ų130.665%0.64777%0.772SS**  cis-169.7165.90.8-134.210.1000107.7
873Q28.8Very low31Very low166 Ų166131.7 Ų131.778%0.77677%0.766SS**  cis-160.5143.7-9.3-157.4177-82.800109.8
874G26Very low30.5Very low76 Ų76129.7 Ų129.778%0.78475%0.75SS**  trans71.5-176.5166.500000116.1
875A28Very low30.1Very low109 Ų109133.2 Ų133.290%0.90175%0.751SS**  cis-159.9-174.1-15.800000108.7
876A29.2Very low29.7Very low84 Ų84131.1 Ų131.169%0.69475%0.745SS**  trans-125.6177.6-175.100000113.8
877N27.9Very low29.4Very low134 Ų134132.5 Ų132.572%0.71775%0.747SS**  trans81.7130.9159.2-73.250000121.6
878D27.2Very low29.2Very low144 Ų144131.4 Ų131.477%0.7775%0.745SS**  trans64.2148.8132.1-52-32.1000124.6
879E28.5Very low29.3Very low181 Ų181131.2 Ų131.285%0.84674%0.744SS**  trans-57.8163.2164.5-113.7174.499.800112
880P41.6Very low30.1Very low106 Ų106136.4 Ų136.469%0.68877%0.77SS**  cis-152.2178.432.742.7-20.9000120.2
881C25.8Very low30.2Very low101 Ų101135.5 Ų135.568%0.68277%0.769SS**  trans71.8139.5137.5-88.70000124.9
882Y24.7Very low30.1Very low199 Ų199136.5 Ų136.578%0.7877%0.772SS**  trans63.5104.1156.7-83-87.6000122
883E29.6Very low30Very low148 Ų148137.4 Ų137.469%0.69278%0.779SS**  50.8134.6124-75.8-153.4128.100124.4
884N27.4Very low30.1Very low113 Ų113135.7 Ų135.760%0.60478%0.779SS**  trans83.8110.4134.9-75.9-35.3000122.3
885I27.9Very low30.4Very low141 Ų141139.4 Ų139.472%0.72378%0.779SS**  105.3137.4119-76.5172000121
886L27.5Very low30.5Very low143 Ų143141.5 Ų141.575%0.74977%0.771SS**  trans84.599.7158.1-114.178000123.4
887I28.9Very low30.6Very low140 Ų140145.6 Ų145.672%0.71878%0.776SS**  71.1127.5117.4-71.7-176.8000123.9
888S28.6Very low30.8Very low108 Ų108146.5 Ų146.576%0.75578%0.781SS**  trans55.2137.3150.870.60000123.4
889Q33.9Very low31.1Very low180 Ų180146.7 Ų146.784%0.84178%0.781SS**  trans-66.2160.4161.2-66172.3-46.800112.6
890P48.9Very low31.4Very low200 Ų200143.5 Ų143.5100%1.29978%0.776SS**  trans-69.10163.832.9-37000113.2

Retrieved 890 of 890 residues in 197.1 ms (Link to these results)