A0A087X2P3_POEFO Loading...

Raftlin family member 2

AlphaFold DB , UniProt , Accession A0A087X2P3, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 438 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
1M39.5Very low42.5Very low239 Ų239152.5 Ų152.5100%1.17784%0.838SS**  092.40-64.1-151.8-68.400108.1
2G41.6Very low42.8Very low79 Ų79150.1 Ų150.181%0.81482%0.817SS**  trans-114.996.317400000107.3G4G2-G4 PolarHBondContact O-N 3.13Å; G2-G4 VanDerWaalsContact O-N 3.13Å
3C40.2Very low43.3Very low116 Ų116144.2 Ų144.278%0.78478%0.784SS**  trans-65.5110.5-178.2-51.80000108.6L5C3-L5 VanDerWaalsContact C-N 3.27Å; C3-L5 PolarHBondContact O-N 2.92Å
4G48.4Very low43.4Very low78 Ų78141.5 Ų141.580%0.80478%0.781SS**  trans-68.885.5169.800000109.8G2 R6G2-G4 PolarHBondContact O-N 3.13Å; G2-G4 VanDerWaalsContact O-N 3.13Å; G4-R6 PolarHBondContact O-N 3.26Å
5L40.9Very low43.9Very low162 Ų162134.9 Ų134.985%0.84875%0.749SS**  trans-68.6114.2162.8-68.2174.5000106.7C3 K7C3-L5 VanDerWaalsContact C-N 3.27Å; C3-L5 PolarHBondContact O-N 2.92Å; L5-K7 PolarHBondContact O-N 3.26Å
6R43.5Very low44.6Very low237 Ų237132 Ų13289%0.89474%0.738SS**  trans-53.3127.2165.3-66.5-178.2179.9178.1-1.3106.6G4 L8G4-R6 PolarHBondContact O-N 3.26Å; R6-L8 PolarHBondContact O-N 3.12Å; R6-L8 VanDerWaalsContact O-N 3.12Å
7K44.7Very low46.3Very low201 Ų201125.6 Ų125.687%0.87471%0.709SS**  trans-53121.8165.6-94.5178.4171179.90106.1L5 E9L5-K7 PolarHBondContact O-N 3.26Å; K7-E9 PolarHBondContact O-N 3.48Å
8L41.8Very low48.6Very low171 Ų171122.4 Ų122.490%0.89569%0.686SS**  trans-52.1114.1163-81.6146.4000106R6 D10R6-L8 PolarHBondContact O-N 3.12Å; R6-L8 VanDerWaalsContact O-N 3.12Å; L8-D10 PolarHBondContact O-N 3.05Å
9E43.9Very low50.7Low162 Ų162120.3 Ų120.376%0.75767%0.672SS**  trans-53.4135.2159.7-83.5161.2146.900107.2K7K7-E9 PolarHBondContact O-N 3.48Å
10D39.9Very low52.8Low115 Ų115118 Ų11862%0.61565%0.653SS**  trans-60.5132.9179.8-87.4-45.8000107.7L8 E12 D13L8-D10 PolarHBondContact O-N 3.05Å; D10-E12 PolarHBondContact O-N 2.97Å; D10-D13 VanDerWaalsContact O-CB 3.29Å; D10-D13 WeakPolarHBondContact O-CB 3.43Å; D10-D13 PolarHBondContact O-N 2.92Å
11P43.3Very low54.6Low117 Ų117114 Ų11476%0.7663%0.634SS**G310 helixtrans-62.6-8-176.923-32.4000114.1D13P11-D13 VanDerWaalsContact C-N 3.27Å
12E45.5Very low56.8Low124 Ų124105.9 Ų105.958%0.57960%0.597SS**G310 helixtrans-74-13168.6-66.3-152.1130.100113.8D10 K18D10-E12 PolarHBondContact O-N 2.97Å; E12-K18 WeakPolarHBondContact OE1-CE 3.29Å; E12-K18 IonicContact OE1-NZ 3.55Å; E12-K18 PolarHBondContact OE1-NZ 3.26Å; E12-K18 IonicContact OE2-NZ 3.17Å
13D49.4Very low59Low74 Ų74103.5 Ų103.540%0.39657%0.566SS.*G310 helixtrans-83.8-6.1-172.3-79.1-29.8000114.4D10 P11 R340D10-D13 VanDerWaalsContact O-CB 3.29Å; D10-D13 WeakPolarHBondContact O-CB 3.43Å; D10-D13 PolarHBondContact O-N 2.92Å; P11-D13 VanDerWaalsContact C-N 3.27Å; D13-R340 IonicContact OD1-CZ 2.71Å; D13-R340 IonicContact OD1-NH1 2.67Å; D13-R340 PolarHBondContact OD1-NH1 3.49Å; D13-R340 IonicContact OD1-NH2 3.52Å; D13-R340 PolarHBondContact OD1-NH2 2.98Å
14S45.4Very low61.3Low106 Ų106105.6 Ų105.674%0.74156%0.562SS**SBendtrans-111.3-6.6-175.7-28.10000115
15S49.9Very low63.1Low42 Ų42110.4 Ų110.429%0.29456%0.556SS.*  trans-83.1132.9-177.557.90000111.4G17S15-G17 PolarHBondContact O-N 2.87Å
16P56.3Low65.4Low89 Ų89107.2 Ų107.258%0.57855%0.545SS*.SBendtrans-63.2-13.6-175.323.8-33.1000114.3Q303P16-Q303 PolarHBondContact O-NE2 3.48Å; P16-Q303 PolarHBondContact O-OE1 2.77Å
17G72.3Confident67.5Low24 Ų24100.3 Ų100.325%0.24752%0.522CS..EExtended strand (participates in β ladder)trans170.9168.1173.500000112.2S15 E302S15-G17 PolarHBondContact O-N 2.87Å; G17-E302 CarbonylContact C-O 3.55Å; G17-E302 WeakPolarHBondContact CA-O 3.29Å
18K87.8Confident69.5Low67 Ų6791.7 Ų91.729%0.29149%0.487SS..EExtended strand (participates in β ladder)trans-104.7130.2170.3-65.5-177.4176.7-177.70109.1E12 Y20 V301 E302E12-K18 WeakPolarHBondContact OE1-CE 3.29Å; E12-K18 IonicContact OE1-NZ 3.55Å; E12-K18 PolarHBondContact OE1-NZ 3.26Å; E12-K18 IonicContact OE2-NZ 3.17Å; K18-Y20 HydrophobicContact CB-CE2 3.94Å; K18-Y20 WeakPolarHBondContact CD-OH 3.5Å; K18-V301 CarbonylContact O-C 3.57Å; K18-V301 WeakPolarHBondContact O-CA 3.42Å; K18-E302 HydrophobicContact CB-CB 4.17Å; K18-E302 PolarHBondContact N-O 2.86Å; K18-E302 PolarHBondContact O-N 3.02Å
19I89.6Confident71.9Confident82 Ų8287.3 Ų87.342%0.42146%0.462SS..EExtended strand (participates in β ladder)trans-109.4125.7177.2-57.7174.5000108.6I299 V301 M438I19-I299 HydrophobicContact CG2-CG2 4Å; I19-V301 HydrophobicContact CG1-CG1 4.07Å; I19-V301 HydrophobicContact CG1-CG2 4.27Å; I19-V301 HydrophobicContact CG2-CG2 4.43Å; I19-M438 HydrophobicContact CD1-CE 4.43Å
20Y91.8Very high74Confident74 Ų7483 Ų8329%0.2945%0.447SS..EExtended strand (participates in β ladder)trans-113.6131.9172.7-47.6-87.7000108.2K18 W247 I299 V300 E302K18-Y20 HydrophobicContact CB-CE2 3.94Å; K18-Y20 WeakPolarHBondContact CD-OH 3.5Å; Y20-W247 AromaticContact CD2-CD1 3.89Å; Y20-W247 AromaticContact CE2-CD1 3.69Å; Y20-I299 WeakPolarHBondContact O-CA 3.39Å; Y20-V300 HydrophobicContact CD2-CB 4.38Å; Y20-V300 PolarHBondContact N-O 3.01Å; Y20-V300 PolarHBondContact O-N 2.77Å; Y20-E302 HydrophobicContact CE2-CG 3.94Å; Y20-E302 WeakPolarHBondContact CE2-OE1 3.31Å; Y20-E302 PolarHBondContact OH-OE1 3.17Å
21S90.6Very high76.1Confident35 Ų3586 Ų8625%0.24545%0.454CS..EExtended strand (participates in β ladder)trans-143.2147.1176-171.40000111.4L23 T298S21-L23 PolarHBondContact O-N 3.01Å; S21-L23 PolarHBondContact OG-N 3.01Å; S21-L23 VanDerWaalsContact OG-N 3.08Å; S21-L23 PolarHBondContact OG-O 3.47Å; S21-T298 WeakPolarHBondContact CA-O 3.22Å; S21-T298 PolarHBondContact OG-O 2.86Å; S21-T298 VanDerWaalsContact OG-O 3.11Å
22T85.8Confident78Confident68 Ų6882.9 Ų82.942%0.41743%0.433SS..SBendtrans-73.2-3.4166.350.70000112.6L248 N296 T298T22-L248 HydrophobicContact CG2-CD1 4.48Å; T22-L248 HydrophobicContact CG2-CD2 4.38Å; T22-N296 PolarHBondContact OG1-O 2.67Å; T22-T298 HydrophobicContact CG2-CG2 3.55Å; T22-T298 PolarHBondContact N-O 3.49Å; T22-T298 PolarHBondContact OG1-N 2.71Å
23L88.1Confident79.7Confident29 Ų2981.9 Ų81.915%0.15243%0.432CS..SBendtrans-124150-170.7-61.1178.6000112.2S21 Q27 V28 D297 W328S21-L23 PolarHBondContact O-N 3.01Å; S21-L23 PolarHBondContact OG-N 3.01Å; S21-L23 VanDerWaalsContact OG-N 3.08Å; S21-L23 PolarHBondContact OG-O 3.47Å; L23-Q27 HydrophobicContact CB-CB 3.98Å; L23-Q27 HydrophobicContact CD1-CB 4.38Å; L23-Q27 HydrophobicContact CD2-CB 4.15Å; L23-Q27 HydrophobicContact CG-CB 4.42Å; L23-V28 HydrophobicContact CB-CG2 3.87Å; L23-D297 HydrophobicContact CD1-CB 3.93Å; L23-W328 HydrophobicContact CD1-CH2 3.72Å; L23-W328 HydrophobicContact CD1-CZ2 3.72Å
24K88.6Confident81.3Confident160 Ų16080 Ų8070%0.69642%0.422SS*.  trans-78.3155.9167.7-61.4-173.6-179.8-175.50110.2P26 Q27 V28K24-P26 VanDerWaalsContact C-CD 3.47Å; K24-P26 VanDerWaalsContact O-N 3.14Å; K24-Q27 WeakPolarHBondContact O-CA 3.46Å; K24-Q27 VanDerWaalsContact O-CB 3.31Å; K24-Q27 WeakPolarHBondContact O-CB 3.49Å; K24-Q27 PolarHBondContact O-N 2.96Å; K24-V28 PolarHBondContact O-N 3.47Å
25R86.8Confident83.5Confident179 Ų17976.1 Ų76.168%0.67540%0.395SS*.Hα-helixtrans-46.2-46.2-178.4-176.6175.6-176.8161.44.6115.2Q27 V28 E29R25-Q27 PolarHBondContact O-N 3.21Å; R25-V28 WeakPolarHBondContact O-CB 3.35Å; R25-V28 PolarHBondContact O-N 2.82Å; R25-V28 VanDerWaalsContact O-N 3.1Å; R25-E29 HydrophobicContact CG-CG 4.48Å; R25-E29 WeakPolarHBondContact CG-OE1 3.39Å; R25-E29 IonicContact CZ-OE1 3.47Å; R25-E29 IonicContact NE-OE1 3.47Å; R25-E29 PolarHBondContact NE-OE1 3.46Å; R25-E29 IonicContact NH2-OE1 3.49Å; R25-E29 PolarHBondContact NH2-OE1 2.84Å; R25-E29 PolarHBondContact O-N 2.96Å
26P87.6Confident85.5Confident96 Ų9675.1 Ų75.162%0.62338%0.384SS*.Hα-helixtrans-62.2-30.5177.7-23.134.9000113.9K24 T30K24-P26 VanDerWaalsContact C-CD 3.47Å; K24-P26 VanDerWaalsContact O-N 3.14Å; P26-T30 PolarHBondContact O-N 3.21Å; P26-T30 PolarHBondContact O-OG1 2.92Å
27Q87.9Confident87.3Confident91 Ų9172.3 Ų72.343%0.42537%0.365SS..Hα-helixtrans-78.5-30.7177.1-61.7170.1-46.800111.5L23 K24 R25 T30 R357L23-Q27 HydrophobicContact CB-CB 3.98Å; L23-Q27 HydrophobicContact CD1-CB 4.38Å; L23-Q27 HydrophobicContact CD2-CB 4.15Å; L23-Q27 HydrophobicContact CG-CB 4.42Å; K24-Q27 WeakPolarHBondContact O-CA 3.46Å; K24-Q27 VanDerWaalsContact O-CB 3.31Å; K24-Q27 WeakPolarHBondContact O-CB 3.49Å; K24-Q27 PolarHBondContact O-N 2.96Å; R25-Q27 PolarHBondContact O-N 3.21Å; Q27-T30 WeakPolarHBondContact CA-OG1 3.36Å; Q27-T30 PolarHBondContact O-OG1 3.3Å; Q27-R357 PolarHBondContact O-NH1 2.86Å; Q27-R357 PolarHBondContact O-NH2 2.8Å; Q27-R357 VanDerWaalsContact O-NH2 3.12Å
28V88.2Confident88.5Confident20 Ų2071.5 Ų71.512%0.12135%0.354CS..Hα-helixtrans-64.7-44.5171.51710000110.6L23 K24 R25 T30 I299 L323 W328 R357L23-V28 HydrophobicContact CB-CG2 3.87Å; K24-V28 PolarHBondContact O-N 3.47Å; R25-V28 WeakPolarHBondContact O-CB 3.35Å; R25-V28 PolarHBondContact O-N 2.82Å; R25-V28 VanDerWaalsContact O-N 3.1Å; V28-T30 PolarHBondContact O-N 2.63Å; V28-I299 HydrophobicContact CB-CD1 4.45Å; V28-I299 HydrophobicContact CG1-CD1 3.65Å; V28-I299 HydrophobicContact CG2-CD1 4.04Å; V28-L323 HydrophobicContact CG1-CD2 3.93Å; V28-W328 HydrophobicContact CG1-CZ2 4.4Å; V28-W328 HydrophobicContact CG2-CZ2 4.41Å; V28-W328 PolarHBondContact O-NE1 3.32Å; V28-R357 PolarHBondContact O-NH1 3.19Å
29E90.7Very high88.8Confident79 Ų7969.9 Ų69.937%0.36935%0.35SS..THydrogen-bonded Turntrans-85.513.4-177.9-62.8174.4-17300113.3R25 K31 F326R25-E29 HydrophobicContact CG-CG 4.48Å; R25-E29 WeakPolarHBondContact CG-OE1 3.39Å; R25-E29 IonicContact CZ-OE1 3.47Å; R25-E29 IonicContact NE-OE1 3.47Å; R25-E29 PolarHBondContact NE-OE1 3.46Å; R25-E29 IonicContact NH2-OE1 3.49Å; R25-E29 PolarHBondContact NH2-OE1 2.84Å; R25-E29 PolarHBondContact O-N 2.96Å; E29-K31 PolarHBondContact O-N 2.88Å; E29-F326 VanDerWaalsContact CA-CD1 3.5Å; E29-F326 HydrophobicContact CB-CD1 4.12Å; E29-F326 HydrophobicContact CB-CE1 3.79Å; E29-F326 HydrophobicContact CB-CE2 4.42Å; E29-F326 HydrophobicContact CB-CZ 3.95Å; E29-F326 HydrophobicContact CG-CE1 4.36Å; E29-F326 HydrophobicContact CG-CE2 4.16Å; E29-F326 HydrophobicContact CG-CZ 4.01Å; E29-F326 WeakPolarHBondContact O-CD1 3.41Å; E29-F326 VanDerWaalsContact O-CE1 3.23Å; E29-F326 WeakPolarHBondContact O-CE1 3.39Å
30T88.4Confident89.1Confident72 Ų7267.9 Ų67.944%0.44234%0.34SS..  trans-69.7118.8175.6-64.20000109.8P26 Q27 V28 T32P26-T30 PolarHBondContact O-N 3.21Å; P26-T30 PolarHBondContact O-OG1 2.92Å; Q27-T30 WeakPolarHBondContact CA-OG1 3.36Å; Q27-T30 PolarHBondContact O-OG1 3.3Å; V28-T30 PolarHBondContact O-N 2.63Å; T30-T32 PolarHBondContact O-N 2.92Å
31K84.5Confident89.2Confident179 Ų17965.8 Ų65.878%0.77833%0.333SS*.  trans-61.9130.9178.5-70-173.9172.4-1790110.9E29 F326E29-K31 PolarHBondContact O-N 2.88Å; K31-F326 HydrophobicContact CG-CD1 4.48Å
32T82.9Confident89.3Confident51 Ų5165.5 Ų65.531%0.31333%0.329SS..  trans-110.1167.3174.259.80000110.2T30 T34 F326 G327T30-T32 PolarHBondContact O-N 2.92Å; T32-T34 PolarHBondContact O-N 2.91Å; T32-T34 PolarHBondContact OG1-O 3.28Å; T32-T34 VanDerWaalsContact OG1-O 3.04Å; T32-F326 WeakPolarHBondContact CG2-O 3.38Å; T32-F326 PolarHBondContact OG1-O 3.19Å; T32-G327 VanDerWaalsContact OG1-CA 3.28Å; T32-G327 WeakPolarHBondContact OG1-CA 3.47Å
33D80.3Confident89.5Confident103 Ų10362.3 Ų62.355%0.55131%0.309SS*.SBendtrans-73.8-10.3178.9-80.4-29.3000113.6R360D33-R360 IonicContact OD2-CZ 2.94Å; D33-R360 IonicContact OD2-NH1 2.73Å; D33-R360 PolarHBondContact OD2-NH1 2.83Å
34T83.9Confident89.5Confident33 Ų3360.9 Ų60.920%0.20230%0.302CS..  trans-122.1122.4-177.3-50.60000108.6T32 Y36 P104 G327 R360T32-T34 PolarHBondContact O-N 2.91Å; T32-T34 PolarHBondContact OG1-O 3.28Å; T32-T34 VanDerWaalsContact OG1-O 3.04Å; T34-Y36 HydrophobicContact CG2-CE1 4.09Å; T34-Y36 HydrophobicContact CG2-CE2 3.88Å; T34-Y36 WeakPolarHBondContact CG2-OH 3.35Å; T34-P104 HydrophobicContact CG2-CB 4.05Å; T34-G327 WeakPolarHBondContact O-CA 3.31Å; T34-R360 PolarHBondContact OG1-NH2 2.86Å
35V90.7Very high89.4Confident26 Ų2654.2 Ų54.216%0.15827%0.274CS..  trans-110.7149.8171.3172.90000107.9P104 R105 A324V35-P104 CarbonylContact O-C 3.56Å; V35-P104 WeakPolarHBondContact O-CA 3.24Å; V35-R105 HydrophobicContact CB-CB 4.36Å; V35-R105 VanDerWaalsContact CG1-CZ 3.47Å; V35-R105 PolarHBondContact O-N 3.37Å; V35-A324 WeakPolarHBondContact CA-O 3.37Å; V35-A324 WeakPolarHBondContact CG1-O 2.89Å
36Y92.7Very high89Confident20 Ų2050.5 Ų50.58%0.07826%0.264CS..EExtended strand (participates in β ladder)trans-111.8144.3179.7-63.4-85.4000111.5T34 R103 P104 A324 L329 P358T34-Y36 HydrophobicContact CG2-CE1 4.09Å; T34-Y36 HydrophobicContact CG2-CE2 3.88Å; T34-Y36 WeakPolarHBondContact CG2-OH 3.35Å; Y36-R103 CarbonylContact C-O 3.58Å; Y36-R103 WeakPolarHBondContact CA-O 3.15Å; Y36-P104 HydrophobicContact CD1-CB 4.43Å; Y36-P104 HydrophobicContact CD1-CG 4.35Å; Y36-P104 HydrophobicContact CE1-CB 4.2Å; Y36-P104 HydrophobicContact CE1-CG 3.94Å; Y36-A324 PolarHBondContact N-O 2.77Å; Y36-A324 WeakPolarHBondContact O-CB 3.41Å; Y36-L329 HydrophobicContact CD1-CD1 3.95Å; Y36-L329 HydrophobicContact CE1-CD1 3.95Å; Y36-L329 HydrophobicContact CE2-CB 4.28Å; Y36-L329 HydrophobicContact CG-CD1 4.3Å; Y36-P358 HydrophobicContact CE2-CG 4.36Å; Y36-P358 VanDerWaalsContact OH-CG 3.31Å; Y36-P358 WeakPolarHBondContact OH-CG 3.44Å
37D95Very high88.4Confident30 Ų3047 Ų4716%0.1625%0.246CC..EExtended strand (participates in β ladder)trans-101.3131.2162.6-59.8-29.6000107.6Y73 A102 R103 R105D37-Y73 HydrophobicContact CB-CE1 4.07Å; D37-A102 CarbonylContact O-C 3.58Å; D37-A102 WeakPolarHBondContact O-CA 3.43Å; D37-R103 PolarHBondContact N-O 3.01Å; D37-R103 PolarHBondContact O-N 3.27Å; D37-R103 IonicContact OD2-CZ 2.99Å; D37-R103 IonicContact OD2-NE 2.91Å; D37-R103 IonicContact OD2-NH2 2.74Å; D37-R103 PolarHBondContact OD2-NH2 3.35Å; D37-R105 IonicContact OD1-CZ 2.86Å; D37-R105 IonicContact OD1-NE 3.43Å; D37-R105 PolarHBondContact OD1-NE 3.11Å; D37-R105 IonicContact OD1-NH2 3.31Å; D37-R105 PolarHBondContact OD1-NH2 3.08Å
38Y96.3Very high87.5Confident8 Ų847.4 Ų47.43%0.03126%0.258CS..EExtended strand (participates in β ladder)trans-106.5149.6175.2-72.8-80.5000111.6V76 V100 L101 A102 L320 H321 A324 W328 L329 L330Y38-V76 HydrophobicContact CE1-CG2 4.36Å; Y38-V100 HydrophobicContact CD1-CG1 3.85Å; Y38-V100 HydrophobicContact CE1-CG1 4.41Å; Y38-L101 CarbonylContact C-O 3.51Å; Y38-L101 VanDerWaalsContact CA-O 3.32Å; Y38-L101 WeakPolarHBondContact CA-O 3.21Å; Y38-A102 HydrophobicContact CD1-CB 3.86Å; Y38-A102 HydrophobicContact CE1-CB 3.6Å; Y38-L320 HydrophobicContact CD2-CB 4.2Å; Y38-L320 HydrophobicContact CE2-CB 4.39Å; Y38-L320 HydrophobicContact CG-CB 4.49Å; Y38-H321 PolarHBondContact O-CE1 3.17Å; Y38-H321 VanDerWaalsContact O-CE1 3.25Å; Y38-A324 HydrophobicContact CD2-CB 3.79Å; Y38-A324 HydrophobicContact CE2-CB 3.56Å; Y38-W328 PolarHBondContact OH-O 3.34Å; Y38-L329 WeakPolarHBondContact OH-CA 3.24Å; Y38-L330 HydrophobicContact CE1-CB 3.96Å; Y38-L330 PolarHBondContact OH-N 3.05Å
39V95.6Very high86.9Confident32 Ų3249.4 Ų49.419%0.19426%0.264CS..EExtended strand (participates in β ladder)trans-134.2126165.31790000107.4L41 F68 Y73 L101V39-L41 HydrophobicContact CG1-CD2 3.8Å; V39-L41 HydrophobicContact CG1-CG 3.92Å; V39-F68 HydrophobicContact CG1-CD1 4.42Å; V39-F68 HydrophobicContact CG1-CE1 3.92Å; V39-Y73 HydrophobicContact CB-CE1 4.46Å; V39-Y73 HydrophobicContact CG2-CD1 4.15Å; V39-Y73 HydrophobicContact CG2-CE1 3.57Å; V39-Y73 HydrophobicContact CG2-CE2 4.42Å; V39-L101 HydrophobicContact CB-CB 4.28Å; V39-L101 HydrophobicContact CB-CD1 4.42Å; V39-L101 PolarHBondContact N-O 2.83Å; V39-L101 PolarHBondContact O-N 2.93Å
40L95Very high86.1Confident40 Ų4051.7 Ų51.721%0.20929%0.286CS..EExtended strand (participates in β ladder)trans-103123.8175.3-72.670.4000107.3V100 Y316L40-V100 HydrophobicContact CD1-CG1 4.32Å; L40-V100 HydrophobicContact CG-CG1 4.36Å; L40-V100 HydrophobicContact CG-CG2 4.33Å; L40-Y316 HydrophobicContact CD2-CD2 4.38Å; L40-Y316 HydrophobicContact CD2-CE2 3.92Å
41L93.5Very high85.6Confident31 Ų3152.6 Ų52.616%0.16229%0.291CS..EExtended strand (participates in β ladder)trans-121.5125.5179.9-61.8173.5000109.2V39 F43 L65 F68 R98 A99 L101V39-L41 HydrophobicContact CG1-CD2 3.8Å; V39-L41 HydrophobicContact CG1-CG 3.92Å; L41-F43 HydrophobicContact CB-CD2 4.44Å; L41-F43 HydrophobicContact CB-CE2 3.53Å; L41-F43 HydrophobicContact CB-CZ 3.87Å; L41-F43 HydrophobicContact CD1-CZ 4.22Å; L41-L65 HydrophobicContact CD1-CD2 3.46Å; L41-L65 VanDerWaalsContact CD1-CD2 3.46Å; L41-F68 HydrophobicContact CD1-CD2 3.85Å; L41-F68 HydrophobicContact CD1-CE1 4.36Å; L41-F68 HydrophobicContact CD1-CE2 3.48Å; L41-F68 VanDerWaalsContact CD1-CE2 3.48Å; L41-F68 HydrophobicContact CD1-CG 4.43Å; L41-F68 HydrophobicContact CD1-CZ 3.76Å; L41-F68 HydrophobicContact CD2-CE1 4.45Å; L41-F68 HydrophobicContact CD2-CE2 4.27Å; L41-F68 HydrophobicContact CD2-CZ 3.81Å; L41-F68 HydrophobicContact CG-CZ 4.37Å; L41-R98 WeakPolarHBondContact O-CA 3.5Å; L41-A99 PolarHBondContact N-O 2.98Å; L41-A99 PolarHBondContact O-N 3.35Å; L41-L101 HydrophobicContact CD1-CD1 3.55Å; L41-L101 HydrophobicContact CG-CD1 4.35Å
42D92.3Very high85.6Confident29 Ų2944.3 Ų44.316%0.15526%0.255CS..EExtended strand (participates in β ladder)trans-100.9134.4178.1-64.6-21.8000110I52 Q53 I81 Y97 R98 V312D42-I52 HydrophobicContact CB-CG1 4.33Å; D42-I52 HydrophobicContact CB-CG2 4.26Å; D42-I52 VanDerWaalsContact O-CG2 3.23Å; D42-I52 WeakPolarHBondContact O-CG2 3.33Å; D42-Q53 PolarHBondContact O-N 2.99Å; D42-Q53 VanDerWaalsContact O-N 3.15Å; D42-I81 HydrophobicContact CB-CD1 4.25Å; D42-Y97 CarbonylContact C-O 3.6Å; D42-Y97 WeakPolarHBondContact CA-O 3.39Å; D42-R98 IonicContact OD1-CZ 2.63Å; D42-R98 IonicContact OD1-NE 3.75Å; D42-R98 PolarHBondContact OD1-NE 3.35Å; D42-R98 IonicContact OD1-NH2 2.96Å; D42-R98 PolarHBondContact OD1-NH2 3.33Å; D42-R98 IonicContact OD2-CZ 3.6Å; D42-R98 IonicContact OD2-NE 2.64Å; D42-R98 IonicContact OD2-NH2 3.13Å; D42-R98 PolarHBondContact OD2-NH2 3.32Å; D42-V312 WeakPolarHBondContact OD2-CG2 3.15Å
43F90.6Very high85.7Confident0 Ų046.2 Ų46.20%026%0.261CS..EExtended strand (participates in β ladder)trans-123.8142.5-177.3-63-86.5000110.9L41 I52 Q53 V55 L61 A64 L65 L96 Y97 A99L41-F43 HydrophobicContact CB-CD2 4.44Å; L41-F43 HydrophobicContact CB-CE2 3.53Å; L41-F43 HydrophobicContact CB-CZ 3.87Å; L41-F43 HydrophobicContact CD1-CZ 4.22Å; F43-I52 VanDerWaalsContact C-CG2 3.48Å; F43-Q53 CarbonylContact C-O 3.55Å; F43-Q53 VanDerWaalsContact CA-O 3.27Å; F43-Q53 WeakPolarHBondContact CA-O 3.26Å; F43-Q53 HydrophobicContact CD1-CB 3.91Å; F43-Q53 HydrophobicContact CD1-CG 4.19Å; F43-Q53 HydrophobicContact CE1-CB 4.04Å; F43-Q53 HydrophobicContact CE1-CG 4.12Å; F43-Q53 VanDerWaalsContact CE1-OE1 3.23Å; F43-V55 HydrophobicContact CB-CG2 4.1Å; F43-V55 HydrophobicContact CD1-CG1 3.84Å; F43-V55 HydrophobicContact CD1-CG2 4.16Å; F43-V55 HydrophobicContact CE1-CG1 4.28Å; F43-V55 HydrophobicContact CG-CG2 4.47Å; F43-L61 HydrophobicContact CD1-CD2 3.92Å; F43-L61 HydrophobicContact CD2-CD2 3.86Å; F43-L61 HydrophobicContact CE1-CD2 3.84Å; F43-L61 HydrophobicContact CE2-CD2 3.8Å; F43-L61 HydrophobicContact CG-CD2 3.92Å; F43-L61 HydrophobicContact CZ-CD2 3.8Å; F43-A64 HydrophobicContact CE1-CB 4.06Å; F43-L65 HydrophobicContact CE2-CD2 4.23Å; F43-L65 HydrophobicContact CZ-CD2 3.76Å; F43-L96 CarbonylContact O-C 3.59Å; F43-L96 VanDerWaalsContact O-CA 3.3Å; F43-L96 WeakPolarHBondContact O-CA 3.42Å; F43-Y97 PolarHBondContact N-O 3.31Å; F43-Y97 PolarHBondContact O-N 2.86Å; F43-A99 HydrophobicContact CD2-CB 4.2Å; F43-A99 HydrophobicContact CE2-CB 3.64Å
44S88.7Confident86.1Confident0 Ų046.5 Ų46.50%026%0.255CS..EExtended strand (participates in β ladder)trans-119.6132.4176.3169.10000110E46 G47 Q53 Y54 V55S44-E46 PolarHBondContact OG-N 3.46Å; S44-G47 WeakPolarHBondContact CB-O 3.22Å; S44-G47 PolarHBondContact OG-N 2.87Å; S44-G47 PolarHBondContact OG-O 3.08Å; S44-Q53 PolarHBondContact N-O 3.47Å; S44-Y54 WeakPolarHBondContact O-CA 2.83Å; S44-Y54 VanDerWaalsContact O-CD2 3.29Å; S44-Y54 WeakPolarHBondContact O-CD2 3.35Å; S44-V55 PolarHBondContact O-N 3.38Å; S44-V55 VanDerWaalsContact O-N 3.12Å
45L85.9Confident86.3Confident20 Ų2045.2 Ų45.211%0.10525%0.247CC..SBendtrans-91.2-2.4171.5-46.3-178.9000113.6V55 L58 L95 Y97 Q160L45-V55 WeakPolarHBondContact CA-O 3.06Å; L45-V55 HydrophobicContact CD2-CG2 3.59Å; L45-V55 WeakPolarHBondContact CD2-O 3.39Å; L45-L58 HydrophobicContact CD1-CG 4.34Å; L45-L58 HydrophobicContact CD2-CD2 4.07Å; L45-L58 HydrophobicContact CD2-CG 4.31Å; L45-L95 HydrophobicContact CB-CB 4.05Å; L45-L95 HydrophobicContact CB-CD1 4.29Å; L45-L95 HydrophobicContact CG-CB 4.47Å; L45-L95 PolarHBondContact N-O 2.64Å; L45-L95 VanDerWaalsContact N-O 3.11Å; L45-Y97 HydrophobicContact CD1-CD2 4.2Å; L45-Y97 HydrophobicContact CD1-CE2 3.55Å; L45-Y97 HydrophobicContact CG-CD2 4.15Å; L45-Y97 HydrophobicContact CG-CE2 3.93Å; L45-Q160 HydrophobicContact CD1-CG 3.77Å
46E79.3Confident86Confident100 Ų10047.2 Ų47.247%0.46726%0.262SS..SBendtrans-108.20.7-174.6-70.1-179.7154.600114.2S44 L95S44-E46 PolarHBondContact OG-N 3.46Å; E46-L95 HydrophobicContact CG-CB 3.79Å; E46-L95 HydrophobicContact CG-CD1 3.34Å; E46-L95 HydrophobicContact CG-CG 3.92Å; E46-L95 WeakPolarHBondContact OE1-CD1 3.43Å
47G73.4Confident85.8Confident23 Ų2347.6 Ų47.624%0.23727%0.268CS..  trans140.4164.7178.500000113.5S44 Y54S44-G47 WeakPolarHBondContact CB-O 3.22Å; S44-G47 PolarHBondContact OG-N 2.87Å; S44-G47 PolarHBondContact OG-O 3.08Å; G47-Y54 VanDerWaalsContact N-CE2 3.27Å
48S69.9Low85.6Confident99 Ų9946.2 Ų46.269%0.69226%0.26SS*.  trans-76.6137.6179.160.90000111.9
49R75.8Confident85.4Confident62 Ų6248.4 Ų48.423%0.23428%0.276CS..  trans-126.2163.7176.3-64.1156171-143.21.3108.8T51 I52 P310R49-T51 PolarHBondContact O-N 3.16Å; R49-T51 VanDerWaalsContact O-N 3.13Å; R49-I52 HydrophobicContact CB-CB 4.13Å; R49-I52 PolarHBondContact N-O 3.28Å; R49-I52 PolarHBondContact O-N 3.34Å; R49-I52 VanDerWaalsContact O-O 3.09Å; R49-P310 HydrophobicContact CB-CB 4.1Å; R49-P310 HydrophobicContact CG-CB 4.09Å; R49-P310 VanDerWaalsContact NH1-CA 3.27Å
50P73Confident85.2Confident128 Ų12850.4 Ų50.483%0.83128%0.283SS*.SBendtrans-57.4-32.6-171.9-25.735.1000114.5
51T77.9Confident85.2Confident90 Ų9048.5 Ų48.555%0.55227%0.273SS*.SBendtrans-116.1-14.8-173.1490000113.3R49 D311R49-T51 PolarHBondContact O-N 3.16Å; R49-T51 VanDerWaalsContact O-N 3.13Å; T51-D311 WeakPolarHBondContact CB-OD1 3.39Å; T51-D311 VanDerWaalsContact CG2-OD1 3.22Å; T51-D311 WeakPolarHBondContact CG2-OD1 3.42Å; T51-D311 PolarHBondContact OG1-OD1 2.77Å
52I84.3Confident85.2Confident6 Ų648.6 Ų48.63%0.03128%0.276CS..SBendtrans-111.6129.3-176.2-54.8170.6000109.7D42 F43 R49 L96 P310D42-I52 HydrophobicContact CB-CG1 4.33Å; D42-I52 HydrophobicContact CB-CG2 4.26Å; D42-I52 VanDerWaalsContact O-CG2 3.23Å; D42-I52 WeakPolarHBondContact O-CG2 3.33Å; F43-I52 VanDerWaalsContact C-CG2 3.48Å; R49-I52 HydrophobicContact CB-CB 4.13Å; R49-I52 PolarHBondContact N-O 3.28Å; R49-I52 PolarHBondContact O-N 3.34Å; R49-I52 VanDerWaalsContact O-O 3.09Å; I52-L96 HydrophobicContact CD1-CD1 3.86Å; I52-L96 HydrophobicContact CD1-CD2 3.75Å; I52-L96 HydrophobicContact CD1-CG 4.5Å; I52-L96 HydrophobicContact CG2-CD2 4.2Å; I52-P310 HydrophobicContact CD1-CB 4.1Å; I52-P310 WeakPolarHBondContact CD1-O 3.39Å
53Q86.4Confident85.3Confident90 Ų9054.5 Ų54.542%0.42130%0.302SS..EExtended strand (participates in β ladder)trans-72.3131.9176.8-171.9169.68.300111D42 F43 S44D42-Q53 PolarHBondContact O-N 2.99Å; D42-Q53 VanDerWaalsContact O-N 3.15Å; F43-Q53 CarbonylContact C-O 3.55Å; F43-Q53 VanDerWaalsContact CA-O 3.27Å; F43-Q53 WeakPolarHBondContact CA-O 3.26Å; F43-Q53 HydrophobicContact CD1-CB 3.91Å; F43-Q53 HydrophobicContact CD1-CG 4.19Å; F43-Q53 HydrophobicContact CE1-CB 4.04Å; F43-Q53 HydrophobicContact CE1-CG 4.12Å; F43-Q53 VanDerWaalsContact CE1-OE1 3.23Å; S44-Q53 PolarHBondContact N-O 3.47Å
54Y88.1Confident85.4Confident110 Ų11055.4 Ų55.443%0.43131%0.31SS..EExtended strand (participates in β ladder)trans-82.8135.3170.3177.1-113.5000111.1S44 G47S44-Y54 WeakPolarHBondContact O-CA 2.83Å; S44-Y54 VanDerWaalsContact O-CD2 3.29Å; S44-Y54 WeakPolarHBondContact O-CD2 3.35Å; G47-Y54 VanDerWaalsContact N-CE2 3.27Å
55V88.4Confident85.7Confident5 Ų555.4 Ų55.43%0.0331%0.31CS..  trans-136.2138.7166.8-67.50000108.2F43 S44 L45 S57 E60 A64F43-V55 HydrophobicContact CB-CG2 4.1Å; F43-V55 HydrophobicContact CD1-CG1 3.84Å; F43-V55 HydrophobicContact CD1-CG2 4.16Å; F43-V55 HydrophobicContact CE1-CG1 4.28Å; F43-V55 HydrophobicContact CG-CG2 4.47Å; S44-V55 PolarHBondContact O-N 3.38Å; S44-V55 VanDerWaalsContact O-N 3.12Å; L45-V55 WeakPolarHBondContact CA-O 3.06Å; L45-V55 HydrophobicContact CD2-CG2 3.59Å; L45-V55 WeakPolarHBondContact CD2-O 3.39Å; V55-S57 PolarHBondContact O-N 2.81Å; V55-E60 HydrophobicContact CB-CB 4.45Å; V55-A64 HydrophobicContact CG1-CB 4.31Å
56S84.1Confident86Confident69 Ų6960.2 Ų60.248%0.48333%0.332SS..SBendtrans-70.2-25.3-177.7-6.10000112.2E60S56-E60 WeakPolarHBondContact CB-OE1 3.44Å; S56-E60 PolarHBondContact N-OE2 3.45Å; S56-E60 PolarHBondContact OG-OE1 3.01Å; S56-E60 PolarHBondContact OG-OE2 2.84Å; S56-E60 VanDerWaalsContact OG-OE2 3.08Å
57S88.1Confident86.7Confident28 Ų2858.4 Ų58.420%0.19633%0.331CS..  trans-157151.1-178.6177.60000109.3V55 C59 E60V55-S57 PolarHBondContact O-N 2.81Å; S57-C59 PolarHBondContact O-N 3.1Å; S57-C59 VanDerWaalsContact O-N 3.1Å; S57-C59 PolarHBondContact OG-N 2.85Å; S57-E60 WeakPolarHBondContact O-CB 3.42Å; S57-E60 PolarHBondContact O-N 3.01Å
58L90.8Very high87.7Confident0 Ų059.4 Ų59.40%033%0.328CS..G310 helixtrans-64.8-13.7172-57.9173.9000112.1L45 E60 L61 Y97 V158 Q160 L204 F206L45-L58 HydrophobicContact CD1-CG 4.34Å; L45-L58 HydrophobicContact CD2-CD2 4.07Å; L45-L58 HydrophobicContact CD2-CG 4.31Å; L58-E60 PolarHBondContact O-N 3.23Å; L58-L61 HydrophobicContact CB-CD1 4.08Å; L58-L61 HydrophobicContact CB-CG 4.42Å; L58-L61 HydrophobicContact CD2-CD1 3.9Å; L58-L61 HydrophobicContact CD2-CG 4.34Å; L58-L61 VanDerWaalsContact O-CB 3.31Å; L58-L61 WeakPolarHBondContact O-CB 3.3Å; L58-L61 WeakPolarHBondContact O-CG 3.31Å; L58-L61 PolarHBondContact O-N 3.04Å; L58-L61 VanDerWaalsContact O-N 3.15Å; L58-Y97 HydrophobicContact CD1-CD1 3.82Å; L58-Y97 HydrophobicContact CD1-CD2 4.43Å; L58-Y97 HydrophobicContact CD1-CE1 3.7Å; L58-Y97 HydrophobicContact CD1-CE2 4.34Å; L58-Y97 HydrophobicContact CD1-CG 4.2Å; L58-Y97 HydrophobicContact CD2-CD1 4.25Å; L58-Y97 HydrophobicContact CD2-CD2 3.93Å; L58-Y97 HydrophobicContact CD2-CE2 4.47Å; L58-Y97 HydrophobicContact CD2-CG 3.81Å; L58-V158 HydrophobicContact CD1-CG1 4.02Å; L58-Q160 VanDerWaalsContact CB-OE1 3.26Å; L58-Q160 HydrophobicContact CD1-CB 4.16Å; L58-Q160 HydrophobicContact CD1-CG 4.02Å; L58-Q160 HydrophobicContact CG-CG 4.36Å; L58-L204 HydrophobicContact CB-CD1 3.69Å; L58-L204 HydrophobicContact CD1-CD1 4.27Å; L58-L204 HydrophobicContact CG-CD1 4.47Å; L58-F206 HydrophobicContact CB-CZ 4.17Å
59C91.7Very high88.8Confident54 Ų5455.2 Ų55.237%0.36530%0.297SS..G310 helixtrans-62.2-18169.8-620000113.6S57 P62 V122S57-C59 PolarHBondContact O-N 3.1Å; S57-C59 VanDerWaalsContact O-N 3.1Å; S57-C59 PolarHBondContact OG-N 2.85Å; C59-P62 WeakPolarHBondContact O-CD 3.4Å; C59-V122 HydrophobicContact CB-CG1 4.2Å
60E92.1Very high89.5Confident74 Ų7457.5 Ų57.535%0.34632%0.319SS..G310 helixtrans-88.3-8.3178-64.3173.2-176.700112.8V55 S56 S57 L58 P62 Q63 A64V55-E60 HydrophobicContact CB-CB 4.45Å; S56-E60 WeakPolarHBondContact CB-OE1 3.44Å; S56-E60 PolarHBondContact N-OE2 3.45Å; S56-E60 PolarHBondContact OG-OE1 3.01Å; S56-E60 PolarHBondContact OG-OE2 2.84Å; S56-E60 VanDerWaalsContact OG-OE2 3.08Å; S57-E60 WeakPolarHBondContact O-CB 3.42Å; S57-E60 PolarHBondContact O-N 3.01Å; L58-E60 PolarHBondContact O-N 3.23Å; E60-P62 VanDerWaalsContact C-CD 3.44Å; E60-P62 VanDerWaalsContact C-N 3.35Å; E60-Q63 PolarHBondContact O-N 2.78Å; E60-A64 PolarHBondContact O-N 2.79Å
61L94.3Very high90.3Very high0 Ų056.3 Ų56.30%030%0.302CS..Hα-helixtrans-54.7-39.8178.6-73179.1000114F43 L58 Q63 A64 L65 L78 L120 F206F43-L61 HydrophobicContact CD1-CD2 3.92Å; F43-L61 HydrophobicContact CD2-CD2 3.86Å; F43-L61 HydrophobicContact CE1-CD2 3.84Å; F43-L61 HydrophobicContact CE2-CD2 3.8Å; F43-L61 HydrophobicContact CG-CD2 3.92Å; F43-L61 HydrophobicContact CZ-CD2 3.8Å; L58-L61 HydrophobicContact CB-CD1 4.08Å; L58-L61 HydrophobicContact CB-CG 4.42Å; L58-L61 HydrophobicContact CD2-CD1 3.9Å; L58-L61 HydrophobicContact CD2-CG 4.34Å; L58-L61 VanDerWaalsContact O-CB 3.31Å; L58-L61 WeakPolarHBondContact O-CB 3.3Å; L58-L61 WeakPolarHBondContact O-CG 3.31Å; L58-L61 PolarHBondContact O-N 3.04Å; L58-L61 VanDerWaalsContact O-N 3.15Å; L61-Q63 PolarHBondContact O-N 3.5Å; L61-A64 PolarHBondContact O-N 2.82Å; L61-L65 HydrophobicContact CB-CD1 4.33Å; L61-L65 WeakPolarHBondContact O-CB 3.4Å; L61-L65 VanDerWaalsContact O-CG 3.26Å; L61-L65 WeakPolarHBondContact O-CG 3.48Å; L61-L65 PolarHBondContact O-N 2.78Å; L61-L78 HydrophobicContact CD1-CD1 3.77Å; L61-L78 HydrophobicContact CD1-CD2 3.55Å; L61-L78 HydrophobicContact CD1-CG 4.35Å; L61-L120 HydrophobicContact CB-CD2 4.44Å; L61-F206 HydrophobicContact CB-CE1 4.41Å; L61-F206 HydrophobicContact CD1-CE1 4Å; L61-F206 HydrophobicContact CD1-CZ 4.1Å
62P94.6Very high90.9Very high33 Ų3353.8 Ų53.821%0.21429%0.294CS..Hα-helixtrans-53.1-38.6174-30.438.2000114.1C59 E60 Q66 L120 V122C59-P62 WeakPolarHBondContact O-CD 3.4Å; E60-P62 VanDerWaalsContact C-CD 3.44Å; E60-P62 VanDerWaalsContact C-N 3.35Å; P62-Q66 PolarHBondContact O-N 2.84Å; P62-L120 HydrophobicContact CB-CB 4.38Å; P62-L120 WeakPolarHBondContact CB-O 3.44Å; P62-L120 HydrophobicContact CG-CB 4.47Å; P62-L120 HydrophobicContact CG-CD2 4.37Å; P62-L120 HydrophobicContact CG-CG 4.24Å; P62-V122 HydrophobicContact CG-CB 4.35Å; P62-V122 HydrophobicContact CG-CG1 3.92Å
63Q93.1Very high91.3Very high153 Ų15354.6 Ų54.672%0.71530%0.297SS*.Hα-helixtrans-78.6-43.4178.1-172.6175.67.600111.2E60 L61 L65 Q66E60-Q63 PolarHBondContact O-N 2.78Å; L61-Q63 PolarHBondContact O-N 3.5Å; Q63-L65 VanDerWaalsContact C-N 3.28Å; Q63-L65 PolarHBondContact O-N 3.49Å; Q63-Q66 WeakPolarHBondContact O-CB 3.39Å; Q63-Q66 PolarHBondContact O-N 2.85Å
64A93.2Very high91.7Very high20 Ų2051.4 Ų51.417%0.16529%0.285CS..Hα-helixtrans-61.6-36179.500000112.6F43 V55 E60 L61F43-A64 HydrophobicContact CE1-CB 4.06Å; V55-A64 HydrophobicContact CG1-CB 4.31Å; E60-A64 PolarHBondContact O-N 2.79Å; L61-A64 PolarHBondContact O-N 2.82Å
65L95.1Very high92.1Very high0 Ų046.2 Ų46.20%027%0.265CS..THydrogen-bonded Turntrans-88.5-5.9-177.9-59.7177.6000113.5L41 F43 L61 Q63 S67 F68 Y69 L75 L101 L120L41-L65 HydrophobicContact CD1-CD2 3.46Å; L41-L65 VanDerWaalsContact CD1-CD2 3.46Å; F43-L65 HydrophobicContact CE2-CD2 4.23Å; F43-L65 HydrophobicContact CZ-CD2 3.76Å; L61-L65 HydrophobicContact CB-CD1 4.33Å; L61-L65 WeakPolarHBondContact O-CB 3.4Å; L61-L65 VanDerWaalsContact O-CG 3.26Å; L61-L65 WeakPolarHBondContact O-CG 3.48Å; L61-L65 PolarHBondContact O-N 2.78Å; Q63-L65 VanDerWaalsContact C-N 3.28Å; Q63-L65 PolarHBondContact O-N 3.49Å; L65-S67 VanDerWaalsContact C-N 3.29Å; L65-S67 PolarHBondContact O-N 2.6Å; L65-S67 VanDerWaalsContact O-N 3.16Å; L65-F68 WeakPolarHBondContact O-CB 3.43Å; L65-F68 PolarHBondContact O-N 3.42Å; L65-Y69 HydrophobicContact CB-CD2 4.01Å; L65-Y69 HydrophobicContact CB-CE2 3.95Å; L65-Y69 HydrophobicContact CD1-CE2 4.49Å; L65-Y69 WeakPolarHBondContact O-CD2 3.4Å; L65-Y69 PolarHBondContact O-N 3.34Å; L65-Y69 VanDerWaalsContact O-N 3.16Å; L65-L75 HydrophobicContact CD1-CD1 4.27Å; L65-L101 HydrophobicContact CD1-CD2 4.43Å; L65-L101 HydrophobicContact CD2-CD1 4.19Å; L65-L120 HydrophobicContact CD1-CD2 3.81Å
66Q93.2Very high92.4Very high121 Ų12147.4 Ų47.457%0.56527%0.272SS*.Hα-helixtrans-55-40.6-171-171.8177.620.100113.4P62 Q63 F68 Y69 T70P62-Q66 PolarHBondContact O-N 2.84Å; Q63-Q66 WeakPolarHBondContact O-CB 3.39Å; Q63-Q66 PolarHBondContact O-N 2.85Å; Q66-F68 VanDerWaalsContact C-N 3.26Å; Q66-F68 PolarHBondContact O-N 3.13Å; Q66-Y69 PolarHBondContact O-N 3.36Å; Q66-T70 WeakPolarHBondContact O-CG2 3.33Å; Q66-T70 PolarHBondContact O-N 3.05Å; Q66-T70 VanDerWaalsContact O-N 3.08Å
67S93.4Very high93Very high62 Ų6244.5 Ų44.543%0.43425%0.253SS..Hα-helixtrans-66.3-26179.160.40000113.5L65 T70 Q71L65-S67 VanDerWaalsContact C-N 3.29Å; L65-S67 PolarHBondContact O-N 2.6Å; L65-S67 VanDerWaalsContact O-N 3.16Å; S67-T70 PolarHBondContact O-OG1 3.33Å; S67-Q71 WeakPolarHBondContact O-CG 3.34Å; S67-Q71 PolarHBondContact O-NE2 2.81Å
68F94.3Very high93.4Very high43 Ų4344.3 Ų44.319%0.18925%0.249CC..Hα-helixtrans-80.1-38.9175.2-65.4-84.9000110.8V39 L41 L65 Q66 T70 Q71 G72 Y73 L101V39-F68 HydrophobicContact CG1-CD1 4.42Å; V39-F68 HydrophobicContact CG1-CE1 3.92Å; L41-F68 HydrophobicContact CD1-CD2 3.85Å; L41-F68 HydrophobicContact CD1-CE1 4.36Å; L41-F68 HydrophobicContact CD1-CE2 3.48Å; L41-F68 VanDerWaalsContact CD1-CE2 3.48Å; L41-F68 HydrophobicContact CD1-CG 4.43Å; L41-F68 HydrophobicContact CD1-CZ 3.76Å; L41-F68 HydrophobicContact CD2-CE1 4.45Å; L41-F68 HydrophobicContact CD2-CE2 4.27Å; L41-F68 HydrophobicContact CD2-CZ 3.81Å; L41-F68 HydrophobicContact CG-CZ 4.37Å; L65-F68 WeakPolarHBondContact O-CB 3.43Å; L65-F68 PolarHBondContact O-N 3.42Å; Q66-F68 VanDerWaalsContact C-N 3.26Å; Q66-F68 PolarHBondContact O-N 3.13Å; F68-T70 VanDerWaalsContact C-N 3.31Å; F68-T70 PolarHBondContact O-N 3.28Å; F68-Q71 CarbonylContact O-C 3.38Å; F68-Q71 WeakPolarHBondContact O-CA 3.31Å; F68-Q71 WeakPolarHBondContact O-CB 3.44Å; F68-Q71 PolarHBondContact O-N 3.12Å; F68-G72 PolarHBondContact O-N 2.83Å; F68-Y73 HydrophobicContact CB-CD2 4.47Å; F68-Y73 HydrophobicContact CD1-CD2 4.48Å; F68-Y73 WeakPolarHBondContact O-CB 3.36Å; F68-Y73 PolarHBondContact O-N 2.68Å; F68-L101 HydrophobicContact CB-CD1 3.58Å; F68-L101 HydrophobicContact CD1-CD1 3.84Å; F68-L101 HydrophobicContact CD2-CD1 4.05Å; F68-L101 HydrophobicContact CG-CD1 3.55Å
69Y92.9Very high93.5Very high11 Ų1144.5 Ų44.54%0.04325%0.25CC..Hα-helixtrans-61.2-38.6174.2-84.1-94.7000112.5L65 Q66 Q71 G72 Y73 A74 L75 L101 A117 P118 L120 H208L65-Y69 HydrophobicContact CB-CD2 4.01Å; L65-Y69 HydrophobicContact CB-CE2 3.95Å; L65-Y69 HydrophobicContact CD1-CE2 4.49Å; L65-Y69 WeakPolarHBondContact O-CD2 3.4Å; L65-Y69 PolarHBondContact O-N 3.34Å; L65-Y69 VanDerWaalsContact O-N 3.16Å; Q66-Y69 PolarHBondContact O-N 3.36Å; Y69-Q71 PolarHBondContact O-N 2.93Å; Y69-G72 PolarHBondContact O-N 3.34Å; Y69-Y73 WeakPolarHBondContact CA-O 3.47Å; Y69-Y73 WeakPolarHBondContact CD1-O 3.32Å; Y69-A74 HydrophobicContact CE1-CB 4.26Å; Y69-L75 VanDerWaalsContact OH-CB 3.24Å; Y69-L75 WeakPolarHBondContact OH-CB 3.4Å; Y69-L75 PolarHBondContact OH-N 2.46Å; Y69-L75 VanDerWaalsContact OH-N 3.12Å; Y69-L101 HydrophobicContact CE2-CD2 4.3Å; Y69-A117 WeakPolarHBondContact O-CB 3.36Å; Y69-P118 HydrophobicContact CD1-CG 4.13Å; Y69-P118 WeakPolarHBondContact CD1-O 3.37Å; Y69-P118 HydrophobicContact CE1-CB 4.25Å; Y69-P118 HydrophobicContact CE1-CG 3.92Å; Y69-L120 HydrophobicContact CE2-CB 4.08Å; Y69-H208 AromaticContact CZ-NE2 3.89Å; Y69-H208 PolarHBondContact OH-CD2 2.84Å; Y69-H208 VanDerWaalsContact OH-CD2 3.23Å; Y69-H208 PolarHBondContact OH-NE2 3.45Å
70T90.7Very high93.4Very high111 Ų11142.6 Ų42.668%0.68124%0.237SC*.THydrogen-bonded Turntrans-67.1-22.6173.957.80000113.3Q66 S67 F68 G72Q66-T70 WeakPolarHBondContact O-CG2 3.33Å; Q66-T70 PolarHBondContact O-N 3.05Å; Q66-T70 VanDerWaalsContact O-N 3.08Å; S67-T70 PolarHBondContact O-OG1 3.33Å; F68-T70 VanDerWaalsContact C-N 3.31Å; F68-T70 PolarHBondContact O-N 3.28Å; T70-G72 VanDerWaalsContact C-N 3.29Å
71Q90.5Very high93.3Very high102 Ų10239.1 Ų39.148%0.47722%0.221SC..THydrogen-bonded Turntrans-85.81.6172.4-67.1171.857.100113.1S67 F68 Y69 Y73 R103S67-Q71 WeakPolarHBondContact O-CG 3.34Å; S67-Q71 PolarHBondContact O-NE2 2.81Å; F68-Q71 CarbonylContact O-C 3.38Å; F68-Q71 WeakPolarHBondContact O-CA 3.31Å; F68-Q71 WeakPolarHBondContact O-CB 3.44Å; F68-Q71 PolarHBondContact O-N 3.12Å; Y69-Q71 PolarHBondContact O-N 2.93Å; Q71-Y73 HydrophobicContact CB-CD2 3.96Å; Q71-Y73 HydrophobicContact CB-CE2 4.24Å; Q71-R103 WeakPolarHBondContact O-CD 3.37Å; Q71-R103 PolarHBondContact O-NH1 3.07Å
72G90Very high92.9Very high37 Ų3739.3 Ų39.338%0.38122%0.222SC..THydrogen-bonded Turntrans88.96.5178.300000115F68 Y69 T70 R103F68-G72 PolarHBondContact O-N 2.83Å; Y69-G72 PolarHBondContact O-N 3.34Å; T70-G72 VanDerWaalsContact C-N 3.29Å; G72-R103 VanDerWaalsContact O-CG 3.27Å; G72-R103 WeakPolarHBondContact O-CG 3.38Å
73Y93.4Very high92.4Very high24 Ų2439.2 Ų39.29%0.09422%0.219CC..  trans-76.4147.4171.2-70-88.2000111D37 V39 F68 Y69 Q71 L101 R103D37-Y73 HydrophobicContact CB-CE1 4.07Å; V39-Y73 HydrophobicContact CB-CE1 4.46Å; V39-Y73 HydrophobicContact CG2-CD1 4.15Å; V39-Y73 HydrophobicContact CG2-CE1 3.57Å; V39-Y73 HydrophobicContact CG2-CE2 4.42Å; F68-Y73 HydrophobicContact CB-CD2 4.47Å; F68-Y73 HydrophobicContact CD1-CD2 4.48Å; F68-Y73 WeakPolarHBondContact O-CB 3.36Å; F68-Y73 PolarHBondContact O-N 2.68Å; Y69-Y73 WeakPolarHBondContact CA-O 3.47Å; Y69-Y73 WeakPolarHBondContact CD1-O 3.32Å; Q71-Y73 HydrophobicContact CB-CD2 3.96Å; Q71-Y73 HydrophobicContact CB-CE2 4.24Å; Y73-L101 HydrophobicContact CD1-CB 4.18Å; Y73-L101 HydrophobicContact CG-CB 4.5Å; Y73-R103 HydrophobicContact CD1-CB 3.55Å; Y73-R103 HydrophobicContact CD2-CB 4.45Å; Y73-R103 HydrophobicContact CE1-CB 3.73Å; Y73-R103 HydrophobicContact CG-CB 3.93Å; Y73-R103 PolarHBondContact OH-NH2 3.23Å
74A93.8Very high91.5Very high22 Ų2232.3 Ų32.318%0.18219%0.188CC..EExtended strand (participates in β ladder)trans-131.2145.2172.500000110Y69 V76 L101 A102 P118Y69-A74 HydrophobicContact CE1-CB 4.26Å; A74-V76 PolarHBondContact O-N 3Å; A74-L101 CarbonylContact O-C 3.47Å; A74-L101 WeakPolarHBondContact O-CA 3.47Å; A74-A102 PolarHBondContact N-O 3.28Å; A74-A102 PolarHBondContact O-N 2.85Å; A74-P118 HydrophobicContact CB-CG 4.23Å
75L96.3Very high90.4Very high2 Ų233 Ų331%0.0119%0.189CC..EExtended strand (participates in β ladder)trans-64.5125.1175-173.670.2000110.2L65 Y69 A77 L78 A99 L101 L120 V155 H208L65-L75 HydrophobicContact CD1-CD1 4.27Å; Y69-L75 VanDerWaalsContact OH-CB 3.24Å; Y69-L75 WeakPolarHBondContact OH-CB 3.4Å; Y69-L75 PolarHBondContact OH-N 2.46Å; Y69-L75 VanDerWaalsContact OH-N 3.12Å; L75-A77 WeakPolarHBondContact CD1-O 3.45Å; L75-L78 HydrophobicContact CD2-CB 4.34Å; L75-A99 HydrophobicContact CD1-CB 3.71Å; L75-L101 HydrophobicContact CB-CD2 4.2Å; L75-L101 HydrophobicContact CD1-CD2 4.38Å; L75-L120 HydrophobicContact CD2-CD1 3.94Å; L75-L120 HydrophobicContact CD2-CD2 3.94Å; L75-V155 HydrophobicContact CB-CG1 4.3Å; L75-V155 HydrophobicContact CD2-CG1 4.05Å; L75-V155 HydrophobicContact CG-CG1 4.05Å; L75-V155 WeakPolarHBondContact O-CG1 3.36Å; L75-H208 PolarHBondContact O-CE1 2.89Å; L75-H208 PolarHBondContact O-NE2 2.83Å
76V95.1Very high88.8Confident30 Ų3034.7 Ų34.718%0.18221%0.206CC..EExtended strand (participates in β ladder)trans-114.1-23.3177.6-65.90000113.3Y38 A74 V100 A102 L329 L330Y38-V76 HydrophobicContact CE1-CG2 4.36Å; A74-V76 PolarHBondContact O-N 3Å; V76-V100 HydrophobicContact CG2-CB 4.18Å; V76-V100 HydrophobicContact CG2-CG1 4.04Å; V76-V100 VanDerWaalsContact CG2-O 3.22Å; V76-V100 WeakPolarHBondContact CG2-O 3.33Å; V76-V100 PolarHBondContact N-O 3.45Å; V76-A102 HydrophobicContact CB-CB 4.45Å; V76-A102 HydrophobicContact CG1-CB 3.61Å; V76-A102 HydrophobicContact CG2-CB 3.95Å; V76-L329 HydrophobicContact CG1-CD1 4.37Å; V76-L330 HydrophobicContact CG2-CB 4.38Å; V76-L330 HydrophobicContact CG2-CD2 4.17Å
77A95.9Very high86.7Confident8 Ų841.4 Ų41.47%0.06623%0.226CC..EExtended strand (participates in β ladder)trans-152144.4172.900000110.3L75 V100 L330 V333L75-A77 WeakPolarHBondContact CD1-O 3.45Å; A77-V100 HydrophobicContact CB-CB 4.25Å; A77-V100 HydrophobicContact CB-CG2 4.36Å; A77-V100 PolarHBondContact N-O 3.13Å; A77-V100 PolarHBondContact O-N 2.96Å; A77-L330 HydrophobicContact CB-CD2 3.76Å; A77-L330 HydrophobicContact CB-CG 4.39Å; A77-V333 HydrophobicContact CB-CG2 4.04Å
78L96Very high84.6Confident24 Ų2441 Ų4113%0.12622%0.224CC..EExtended strand (participates in β ladder)trans-137.4123.9169.917971.1000107.9L61 L75 R98 A99 V158 F206L61-L78 HydrophobicContact CD1-CD1 3.77Å; L61-L78 HydrophobicContact CD1-CD2 3.55Å; L61-L78 HydrophobicContact CD1-CG 4.35Å; L75-L78 HydrophobicContact CD2-CB 4.34Å; L78-R98 WeakPolarHBondContact CA-O 3.45Å; L78-A99 HydrophobicContact CD1-CB 3.9Å; L78-V158 HydrophobicContact CB-CG2 4.21Å; L78-V158 HydrophobicContact CD2-CG2 3.81Å; L78-V158 HydrophobicContact CG-CG2 3.88Å; L78-V158 WeakPolarHBondContact O-CG2 3.35Å; L78-F206 HydrophobicContact CD2-CD2 3.91Å; L78-F206 HydrophobicContact CD2-CE1 4.03Å; L78-F206 HydrophobicContact CD2-CE2 3.37Å; L78-F206 HydrophobicContact CD2-CG 4.47Å; L78-F206 HydrophobicContact CD2-CZ 3.43Å; L78-F206 VanDerWaalsContact CD2-CZ 3.43Å
79H93.8Very high82.8Confident3 Ų342.5 Ų42.51%0.01423%0.228CC..EExtended strand (participates in β ladder)trans-149.4153.8-179.464.888.5000111.4Y97 R98 Y316 P335 Q351H79-Y97 WeakPolarHBondContact O-CA 3.47Å; H79-R98 PolarHBondContact N-O 2.94Å; H79-R98 VanDerWaalsContact N-O 3.09Å; H79-R98 PolarHBondContact O-N 2.73Å; H79-Y316 AromaticContact NE2-CE1 3.91Å; H79-Y316 AromaticContact NE2-CZ 3.71Å; H79-Y316 PolarHBondContact NE2-OH 2.87Å; H79-P335 HydrophobicContact CB-CG 4.46Å; H79-Q351 PolarHBondContact CE1-NE2 2.97Å
80P90.8Very high81.1Confident14 Ų1447.1 Ų47.19%0.09126%0.262CS..EExtended strand (participates in β ladder)trans-61.4140.7166.127.2-34.2000109.7L83 L96 Y97 P335P80-L83 HydrophobicContact CG-CD1 4.03Å; P80-L96 WeakPolarHBondContact CA-O 3.45Å; P80-Y97 HydrophobicContact CB-CD1 4.16Å; P80-Y97 HydrophobicContact CB-CE1 3.98Å; P80-P335 HydrophobicContact CG-CB 4.05Å; P80-P335 HydrophobicContact CG-CG 4.05Å
81I88.9Confident79.6Confident1 Ų143.7 Ų43.71%0.00524%0.239CC..SBendtrans-71.6-50.4174-60.5-175.6000108.5D42 L96 R98 T305 T307 V312 T349 Q351D42-I81 HydrophobicContact CB-CD1 4.25Å; I81-L96 HydrophobicContact CB-CB 4.15Å; I81-L96 HydrophobicContact CD1-CB 4.02Å; I81-L96 HydrophobicContact CG1-CB 4.23Å; I81-L96 PolarHBondContact N-O 3.13Å; I81-R98 HydrophobicContact CD1-CB 4.21Å; I81-R98 HydrophobicContact CG1-CB 3.87Å; I81-T305 HydrophobicContact CG2-CG2 4.19Å; I81-T307 HydrophobicContact CG2-CG2 4.23Å; I81-V312 HydrophobicContact CD1-CG2 4Å; I81-T349 VanDerWaalsContact O-CG2 3.3Å; I81-T349 WeakPolarHBondContact O-CG2 3.26Å; I81-Q351 PolarHBondContact O-NE2 3.23Å; I81-Q351 VanDerWaalsContact O-NE2 3.13Å
82I85.6Confident78.1Confident4 Ų442.1 Ų42.12%0.02124%0.238CC..SBendtrans-110.7123.8175.8-53.7-162.5000109.5F93 I339 L347 T349I82-F93 HydrophobicContact CD1-CB 3.73Å; I82-F93 HydrophobicContact CD1-CD2 4.08Å; I82-F93 HydrophobicContact CD1-CG 4.37Å; I82-F93 HydrophobicContact CG1-CB 4.24Å; I82-I339 HydrophobicContact CG2-CD1 3.81Å; I82-I339 HydrophobicContact CG2-CG1 4.5Å; I82-L347 HydrophobicContact CD1-CB 4.4Å; I82-L347 HydrophobicContact CD1-CD1 4.16Å; I82-T349 HydrophobicContact CG1-CG2 4.41Å
83L83.9Confident76.8Confident32 Ų3241.4 Ų41.417%0.16822%0.224CC..  trans-100.7101.9175-173.173000110.5P80 W268 P335 P337P80-L83 HydrophobicContact CG-CD1 4.03Å; L83-W268 HydrophobicContact CD2-CD2 4.2Å; L83-W268 HydrophobicContact CD2-CG 3.81Å; L83-W268 VanDerWaalsContact CD2-NE1 3.33Å; L83-P335 HydrophobicContact CB-CB 4.43Å; L83-P335 HydrophobicContact CD2-CB 4.47Å; L83-P337 HydrophobicContact CD2-CB 4.33Å; L83-P337 WeakPolarHBondContact O-CA 3.39Å
84S74.1Confident75.5Confident7 Ų740.6 Ų40.65%0.04922%0.222CC..  trans-93.8132.9-178.2-58.40000112.1L91S84-L91 WeakPolarHBondContact OG-CD1 3.08Å
85L71Confident74.9Confident36 Ų3639.8 Ų39.819%0.18822%0.215CC..  trans-108.4149.1179.3-54-173.5000113.8S88 V240 W268 V276 P337L85-S88 WeakPolarHBondContact O-CB 3.21Å; L85-S88 PolarHBondContact O-N 3.24Å; L85-V240 HydrophobicContact CD1-CG2 4.42Å; L85-W268 HydrophobicContact CD1-CB 3.96Å; L85-W268 HydrophobicContact CD2-CB 3.18Å; L85-W268 HydrophobicContact CD2-CG 4.17Å; L85-W268 HydrophobicContact CG-CB 4.2Å; L85-V276 HydrophobicContact CD1-CG2 3.9Å; L85-P337 HydrophobicContact CD1-CB 3.37Å; L85-P337 HydrophobicContact CD1-CG 3.74Å; L85-P337 HydrophobicContact CD2-CB 4.08Å; L85-P337 HydrophobicContact CG-CB 3.53Å; L85-P337 HydrophobicContact CG-CG 4.41Å
86G60.9Low74.5Confident35 Ų3539.8 Ų39.836%0.36122%0.215SC..G310 helixtrans59.1-138.5166.500000115.7S88 R89 D269G86-S88 PolarHBondContact O-N 3.43Å; G86-R89 WeakPolarHBondContact O-CD 3.22Å; G86-R89 WeakPolarHBondContact O-CG 3.41Å; G86-R89 PolarHBondContact O-N 3.41Å; G86-D269 PolarHBondContact N-OD1 3.13Å
87R49.4Very low74.3Confident261 Ų26138.5 Ų38.599%0.98521%0.206SC*.G310 helixtrans-66.2-5.2179.6-71.7-175176.5-175.3-0.6114.2R89R87-R89 VanDerWaalsContact C-N 3.32Å
88S49.8Very low74.2Confident55 Ų5538.2 Ų38.239%0.38520%0.204SC..G310 helixtrans-91.914.4177-159.20000113.1L85 G86 S90 L91L85-S88 WeakPolarHBondContact O-CB 3.21Å; L85-S88 PolarHBondContact O-N 3.24Å; G86-S88 PolarHBondContact O-N 3.43Å; S88-S90 PolarHBondContact O-N 2.92Å; S88-L91 WeakPolarHBondContact O-CG 2.85Å; S88-L91 PolarHBondContact O-N 3.34Å; S88-L91 VanDerWaalsContact O-N 3.13Å; S88-L91 WeakPolarHBondContact OG-CD1 3.4Å; S88-L91 WeakPolarHBondContact OG-CG 3.23Å
89R56.1Low74.3Confident73 Ų7337.1 Ų37.128%0.27520%0.198SC..THydrogen-bonded Turntrans-55.8-17.2177.6-81.7166-176.9-154.93.5114.6G86 R87 S94 D200 D269G86-R89 WeakPolarHBondContact O-CD 3.22Å; G86-R89 WeakPolarHBondContact O-CG 3.41Å; G86-R89 PolarHBondContact O-N 3.41Å; R87-R89 VanDerWaalsContact C-N 3.32Å; R89-S94 PolarHBondContact O-OG 2.9Å; R89-D200 IonicContact NH1-OD2 3.29Å; R89-D200 PolarHBondContact NH1-OD2 3.3Å; R89-D269 IonicContact CZ-OD2 3.56Å; R89-D269 IonicContact NE-OD2 2.89Å; R89-D269 IonicContact NH2-OD2 2.7Å; R89-D269 PolarHBondContact NH2-OD2 3.23Å
90S56.8Low74.4Confident109 Ų10937 Ų3776%0.76220%0.197SC*.THydrogen-bonded Turntrans-9522177.674.30000114.2S88S88-S90 PolarHBondContact O-N 2.92Å
91L60.6Low74.7Confident39 Ų3936.3 Ų36.320%0.20419%0.193CC..  trans-61.4138.4171.1-77.7166.5000108.9S84 S88 F93 S94 I339S84-L91 WeakPolarHBondContact OG-CD1 3.08Å; S88-L91 WeakPolarHBondContact O-CG 2.85Å; S88-L91 PolarHBondContact O-N 3.34Å; S88-L91 VanDerWaalsContact O-N 3.13Å; S88-L91 WeakPolarHBondContact OG-CD1 3.4Å; S88-L91 WeakPolarHBondContact OG-CG 3.23Å; L91-F93 PolarHBondContact O-N 3.47Å; L91-S94 PolarHBondContact O-N 3.11Å; L91-S94 PolarHBondContact O-OG 2.96Å; L91-I339 HydrophobicContact CD1-CD1 3.57Å
92P57.5Low75Confident69 Ų6936.6 Ų36.645%0.44820%0.195SC..THydrogen-bonded Turntrans-55.1139.816927.7-33.7000107.7S94 L347P92-S94 PolarHBondContact O-N 3.2Å; P92-L347 HydrophobicContact CG-CD1 4.16Å
93F62.2Low75.3Confident22 Ų2239.1 Ų39.110%0.09621%0.205CC..THydrogen-bonded Turntrans777.3177.5-34-57.7000116.8I82 L91 L95 L96 G309 L347I82-F93 HydrophobicContact CD1-CB 3.73Å; I82-F93 HydrophobicContact CD1-CD2 4.08Å; I82-F93 HydrophobicContact CD1-CG 4.37Å; I82-F93 HydrophobicContact CG1-CB 4.24Å; L91-F93 PolarHBondContact O-N 3.47Å; F93-L95 PolarHBondContact O-N 2.99Å; F93-L95 VanDerWaalsContact O-N 3.07Å; F93-L96 HydrophobicContact CB-CB 4.45Å; F93-L96 HydrophobicContact CB-CD1 3.66Å; F93-L96 HydrophobicContact CB-CG 3.79Å; F93-L96 HydrophobicContact CD1-CD1 3.86Å; F93-L96 HydrophobicContact CD1-CG 4.34Å; F93-L96 HydrophobicContact CG-CD1 4.04Å; F93-L96 WeakPolarHBondContact O-CB 3.5Å; F93-L96 PolarHBondContact O-N 2.83Å; F93-G309 WeakPolarHBondContact CE1-O 3.3Å; F93-G309 WeakPolarHBondContact CE2-O 3.2Å; F93-G309 WeakPolarHBondContact CZ-O 3.42Å; F93-L347 HydrophobicContact CD2-CD1 3.77Å; F93-L347 HydrophobicContact CE2-CD1 3.95Å
94S67.3Low75.6Confident7 Ų741.1 Ų41.15%0.04922%0.22CC..THydrogen-bonded Turntrans-59.4-18.5172.459.20000113.5R89 L91 P92R89-S94 PolarHBondContact O-OG 2.9Å; L91-S94 PolarHBondContact O-N 3.11Å; L91-S94 PolarHBondContact O-OG 2.96Å; P92-S94 PolarHBondContact O-N 3.2Å
95L80.9Confident76.2Confident4 Ų445.6 Ų45.62%0.02124%0.235CC..THydrogen-bonded Turntrans-108.221.4177.2-60-169.3000113.6L45 E46 F93 Y97 Q161L45-L95 HydrophobicContact CB-CB 4.05Å; L45-L95 HydrophobicContact CB-CD1 4.29Å; L45-L95 HydrophobicContact CG-CB 4.47Å; L45-L95 PolarHBondContact N-O 2.64Å; L45-L95 VanDerWaalsContact N-O 3.11Å; E46-L95 HydrophobicContact CG-CB 3.79Å; E46-L95 HydrophobicContact CG-CD1 3.34Å; E46-L95 HydrophobicContact CG-CG 3.92Å; E46-L95 WeakPolarHBondContact OE1-CD1 3.43Å; F93-L95 PolarHBondContact O-N 2.99Å; F93-L95 VanDerWaalsContact O-N 3.07Å; L95-Y97 WeakPolarHBondContact O-CD2 3.27Å; L95-Q161 HydrophobicContact CD2-CB 3.88Å; L95-Q161 HydrophobicContact CD2-CG 4.44Å
96L87.9Confident76.2Confident2 Ų249 Ų491%0.0126%0.26CS..EExtended strand (participates in β ladder)trans-88.8131.3166.8-65.3-169.6000111.1F43 I52 P80 I81 F93F43-L96 CarbonylContact O-C 3.59Å; F43-L96 VanDerWaalsContact O-CA 3.3Å; F43-L96 WeakPolarHBondContact O-CA 3.42Å; I52-L96 HydrophobicContact CD1-CD1 3.86Å; I52-L96 HydrophobicContact CD1-CD2 3.75Å; I52-L96 HydrophobicContact CD1-CG 4.5Å; I52-L96 HydrophobicContact CG2-CD2 4.2Å; P80-L96 WeakPolarHBondContact CA-O 3.45Å; I81-L96 HydrophobicContact CB-CB 4.15Å; I81-L96 HydrophobicContact CD1-CB 4.02Å; I81-L96 HydrophobicContact CG1-CB 4.23Å; I81-L96 PolarHBondContact N-O 3.13Å; F93-L96 HydrophobicContact CB-CB 4.45Å; F93-L96 HydrophobicContact CB-CD1 3.66Å; F93-L96 HydrophobicContact CB-CG 3.79Å; F93-L96 HydrophobicContact CD1-CD1 3.86Å; F93-L96 HydrophobicContact CD1-CG 4.34Å; F93-L96 HydrophobicContact CG-CD1 4.04Å; F93-L96 WeakPolarHBondContact O-CB 3.5Å; F93-L96 PolarHBondContact O-N 2.83Å
97Y91.9Very high76.3Confident3 Ų350.9 Ų50.91%0.01227%0.268CS..EExtended strand (participates in β ladder)trans-126.1146.2178.3-65.8-96.6000109.9D42 F43 L45 L58 H79 P80 L95 V158D42-Y97 CarbonylContact C-O 3.6Å; D42-Y97 WeakPolarHBondContact CA-O 3.39Å; F43-Y97 PolarHBondContact N-O 3.31Å; F43-Y97 PolarHBondContact O-N 2.86Å; L45-Y97 HydrophobicContact CD1-CD2 4.2Å; L45-Y97 HydrophobicContact CD1-CE2 3.55Å; L45-Y97 HydrophobicContact CG-CD2 4.15Å; L45-Y97 HydrophobicContact CG-CE2 3.93Å; L58-Y97 HydrophobicContact CD1-CD1 3.82Å; L58-Y97 HydrophobicContact CD1-CD2 4.43Å; L58-Y97 HydrophobicContact CD1-CE1 3.7Å; L58-Y97 HydrophobicContact CD1-CE2 4.34Å; L58-Y97 HydrophobicContact CD1-CG 4.2Å; L58-Y97 HydrophobicContact CD2-CD1 4.25Å; L58-Y97 HydrophobicContact CD2-CD2 3.93Å; L58-Y97 HydrophobicContact CD2-CE2 4.47Å; L58-Y97 HydrophobicContact CD2-CG 3.81Å; H79-Y97 WeakPolarHBondContact O-CA 3.47Å; P80-Y97 HydrophobicContact CB-CD1 4.16Å; P80-Y97 HydrophobicContact CB-CE1 3.98Å; L95-Y97 WeakPolarHBondContact O-CD2 3.27Å; Y97-V158 HydrophobicContact CD1-CG1 4.06Å; Y97-V158 HydrophobicContact CE1-CG1 3.62Å
98R93.9Very high76.5Confident3 Ų346.7 Ų46.71%0.01127%0.265CS..EExtended strand (participates in β ladder)trans-113.8123.3174.9175.4162.4-70.1-178.1-11110.1L41 D42 L78 H79 I81 V100 D315 Y316L41-R98 WeakPolarHBondContact O-CA 3.5Å; D42-R98 IonicContact OD1-CZ 2.63Å; D42-R98 IonicContact OD1-NE 3.75Å; D42-R98 PolarHBondContact OD1-NE 3.35Å; D42-R98 IonicContact OD1-NH2 2.96Å; D42-R98 PolarHBondContact OD1-NH2 3.33Å; D42-R98 IonicContact OD2-CZ 3.6Å; D42-R98 IonicContact OD2-NE 2.64Å; D42-R98 IonicContact OD2-NH2 3.13Å; D42-R98 PolarHBondContact OD2-NH2 3.32Å; L78-R98 WeakPolarHBondContact CA-O 3.45Å; H79-R98 PolarHBondContact N-O 2.94Å; H79-R98 VanDerWaalsContact N-O 3.09Å; H79-R98 PolarHBondContact O-N 2.73Å; I81-R98 HydrophobicContact CD1-CB 4.21Å; I81-R98 HydrophobicContact CG1-CB 3.87Å; R98-V100 HydrophobicContact CG-CG2 4Å; R98-D315 IonicContact CZ-OD2 2.93Å; R98-D315 VanDerWaalsContact NH1-CB 3.31Å; R98-D315 VanDerWaalsContact NH1-CG 3.3Å; R98-D315 IonicContact NH1-OD2 3.7Å; R98-D315 PolarHBondContact NH1-OD2 2.75Å; R98-D315 IonicContact NH2-OD2 3.77Å; R98-D315 PolarHBondContact NH2-OD2 2.74Å; R98-Y316 WeakPolarHBondContact CD-OH 3.43Å
99A96.1Very high76.6Confident0 Ų051 Ų510%028%0.276CS..EExtended strand (participates in β ladder)trans-99.3121.9166.800000108.9L41 F43 L75 L78L41-A99 PolarHBondContact N-O 2.98Å; L41-A99 PolarHBondContact O-N 3.35Å; F43-A99 HydrophobicContact CD2-CB 4.2Å; F43-A99 HydrophobicContact CE2-CB 3.64Å; L75-A99 HydrophobicContact CD1-CB 3.71Å; L78-A99 HydrophobicContact CD1-CB 3.9Å
100V97.1Very high75.9Confident0 Ų056 Ų560%031%0.307CS..EExtended strand (participates in β ladder)trans-101.5119.7173-169.50000108.5Y38 L40 V76 A77 R98 Y316 L320 L330Y38-V100 HydrophobicContact CD1-CG1 3.85Å; Y38-V100 HydrophobicContact CE1-CG1 4.41Å; L40-V100 HydrophobicContact CD1-CG1 4.32Å; L40-V100 HydrophobicContact CG-CG1 4.36Å; L40-V100 HydrophobicContact CG-CG2 4.33Å; V76-V100 HydrophobicContact CG2-CB 4.18Å; V76-V100 HydrophobicContact CG2-CG1 4.04Å; V76-V100 VanDerWaalsContact CG2-O 3.22Å; V76-V100 WeakPolarHBondContact CG2-O 3.33Å; V76-V100 PolarHBondContact N-O 3.45Å; A77-V100 HydrophobicContact CB-CB 4.25Å; A77-V100 HydrophobicContact CB-CG2 4.36Å; A77-V100 PolarHBondContact N-O 3.13Å; A77-V100 PolarHBondContact O-N 2.96Å; R98-V100 HydrophobicContact CG-CG2 4Å; V100-Y316 HydrophobicContact CG2-CE2 4.19Å; V100-Y316 VanDerWaalsContact CG2-OH 3.24Å; V100-Y316 WeakPolarHBondContact CG2-OH 3.47Å; V100-L320 HydrophobicContact CG1-CD1 4.28Å; V100-L330 HydrophobicContact CB-CD2 3.8Å; V100-L330 HydrophobicContact CG1-CD2 3.63Å; V100-L330 HydrophobicContact CG2-CD2 3.95Å
101L96.7Very high75.2Confident0 Ų054.6 Ų54.60%030%0.302CS..EExtended strand (participates in β ladder)trans-103.5139.9176.4-66.6167.5000109.4Y38 V39 L41 L65 F68 Y69 Y73 A74 L75Y38-L101 CarbonylContact C-O 3.51Å; Y38-L101 VanDerWaalsContact CA-O 3.32Å; Y38-L101 WeakPolarHBondContact CA-O 3.21Å; V39-L101 HydrophobicContact CB-CB 4.28Å; V39-L101 HydrophobicContact CB-CD1 4.42Å; V39-L101 PolarHBondContact N-O 2.83Å; V39-L101 PolarHBondContact O-N 2.93Å; L41-L101 HydrophobicContact CD1-CD1 3.55Å; L41-L101 HydrophobicContact CG-CD1 4.35Å; L65-L101 HydrophobicContact CD1-CD2 4.43Å; L65-L101 HydrophobicContact CD2-CD1 4.19Å; F68-L101 HydrophobicContact CB-CD1 3.58Å; F68-L101 HydrophobicContact CD1-CD1 3.84Å; F68-L101 HydrophobicContact CD2-CD1 4.05Å; F68-L101 HydrophobicContact CG-CD1 3.55Å; Y69-L101 HydrophobicContact CE2-CD2 4.3Å; Y73-L101 HydrophobicContact CD1-CB 4.18Å; Y73-L101 HydrophobicContact CG-CB 4.5Å; A74-L101 CarbonylContact O-C 3.47Å; A74-L101 WeakPolarHBondContact O-CA 3.47Å; L75-L101 HydrophobicContact CB-CD2 4.2Å; L75-L101 HydrophobicContact CD1-CD2 4.38Å
102A95.1Very high74.4Confident7 Ų758 Ų586%0.05833%0.329CS..EExtended strand (participates in β ladder)trans-127.6146.7173.900000111D37 Y38 A74 V76 L329D37-A102 CarbonylContact O-C 3.58Å; D37-A102 WeakPolarHBondContact O-CA 3.43Å; Y38-A102 HydrophobicContact CD1-CB 3.86Å; Y38-A102 HydrophobicContact CE1-CB 3.6Å; A74-A102 PolarHBondContact N-O 3.28Å; A74-A102 PolarHBondContact O-N 2.85Å; V76-A102 HydrophobicContact CB-CB 4.45Å; V76-A102 HydrophobicContact CG1-CB 3.61Å; V76-A102 HydrophobicContact CG2-CB 3.95Å; A102-L329 HydrophobicContact CB-CD1 4.05Å
103R92.7Very high73.8Confident58 Ų5859.5 Ų59.522%0.21934%0.337CS..EExtended strand (participates in β ladder)trans-135.9130.6171.3-180178.170.2-166.3-5.5109.8Y36 D37 Q71 G72 Y73 R105Y36-R103 CarbonylContact C-O 3.58Å; Y36-R103 WeakPolarHBondContact CA-O 3.15Å; D37-R103 PolarHBondContact N-O 3.01Å; D37-R103 PolarHBondContact O-N 3.27Å; D37-R103 IonicContact OD2-CZ 2.99Å; D37-R103 IonicContact OD2-NE 2.91Å; D37-R103 IonicContact OD2-NH2 2.74Å; D37-R103 PolarHBondContact OD2-NH2 3.35Å; Q71-R103 WeakPolarHBondContact O-CD 3.37Å; Q71-R103 PolarHBondContact O-NH1 3.07Å; G72-R103 VanDerWaalsContact O-CG 3.27Å; G72-R103 WeakPolarHBondContact O-CG 3.38Å; Y73-R103 HydrophobicContact CD1-CB 3.55Å; Y73-R103 HydrophobicContact CD2-CB 4.45Å; Y73-R103 HydrophobicContact CE1-CB 3.73Å; Y73-R103 HydrophobicContact CG-CB 3.93Å; Y73-R103 PolarHBondContact OH-NH2 3.23Å; R103-R105 PolarHBondContact O-N 3.12Å
104P89.6Confident72.8Confident74 Ų7464 Ų6448%0.48137%0.37SS..EExtended strand (participates in β ladder)trans-62.4126.8166.8-14.827.2000110.2T34 V35 Y36T34-P104 HydrophobicContact CG2-CB 4.05Å; V35-P104 CarbonylContact O-C 3.56Å; V35-P104 WeakPolarHBondContact O-CA 3.24Å; Y36-P104 HydrophobicContact CD1-CB 4.43Å; Y36-P104 HydrophobicContact CD1-CG 4.35Å; Y36-P104 HydrophobicContact CE1-CB 4.2Å; Y36-P104 HydrophobicContact CE1-CG 3.94Å
105R86.8Confident72.4Confident100 Ų10069.2 Ų69.238%0.37739%0.393SS..PPolyproline II helixtrans-65.1127.1176.7-164.9178.4-67154.62.1108.8V35 D37 R103 S107 E325V35-R105 HydrophobicContact CB-CB 4.36Å; V35-R105 VanDerWaalsContact CG1-CZ 3.47Å; V35-R105 PolarHBondContact O-N 3.37Å; D37-R105 IonicContact OD1-CZ 2.86Å; D37-R105 IonicContact OD1-NE 3.43Å; D37-R105 PolarHBondContact OD1-NE 3.11Å; D37-R105 IonicContact OD1-NH2 3.31Å; D37-R105 PolarHBondContact OD1-NH2 3.08Å; R103-R105 PolarHBondContact O-N 3.12Å; R105-S107 PolarHBondContact O-N 2.82Å; R105-E325 IonicContact CZ-OE1 2.81Å; R105-E325 VanDerWaalsContact CZ-OE1 3.29Å; R105-E325 IonicContact NH1-OE1 3.13Å; R105-E325 PolarHBondContact NH1-OE1 2.83Å; R105-E325 IonicContact NH1-OE2 3.85Å; R105-E325 PolarHBondContact NH1-OE2 3.37Å; R105-E325 VanDerWaalsContact NH1-OE2 3.08Å; R105-E325 IonicContact NH2-OE1 3.73Å; R105-E325 PolarHBondContact NH2-OE1 2.85Å
106P70.8Confident71.8Confident108 Ų10870.5 Ų70.570%0.70140%0.403SS*.PPolyproline II helixtrans-61.2124.8-178.123.1-31.9000110
107S63.5Low71.5Confident75 Ų7572.4 Ų72.452%0.52442%0.419SS..PPolyproline II helixtrans-78.4139.4175-1700000109.7R105 K109R105-S107 PolarHBondContact O-N 2.82Å; S107-K109 PolarHBondContact O-N 2.84Å
108N54.4Low71.4Confident172 Ų17273.3 Ų73.392%0.9243%0.425SS*.SBendtrans-63.1-1.9173.6-74.4-20.6000113.9
109K50.7Low71.3Confident145 Ų14577.1 Ų77.163%0.6345%0.448SS*.SBendtrans-78.5122.1173.8-65.9179-176.8170.20108.5S107 A111S107-K109 PolarHBondContact O-N 2.84Å; K109-A111 VanDerWaalsContact C-N 3.29Å; K109-A111 PolarHBondContact O-N 2.99Å
110I42.6Very low71.2Confident178 Ų17877.4 Ų77.491%0.91345%0.45SS*.SBendtrans-57.188.2176.8-57.5160.4000109.4
111A42Very low71.1Confident80 Ų8084.1 Ų84.166%0.66148%0.475SS*.  trans-147.375166.600000106.5K109 T113K109-A111 VanDerWaalsContact C-N 3.29Å; K109-A111 PolarHBondContact O-N 2.99Å; A111-T113 PolarHBondContact O-N 2.84Å
112S43.2Very low71.1Confident112 Ų11285.9 Ų85.978%0.78349%0.486SS*.  trans-69.584.1164.1174.40000107.7
113T43.9Very low71Confident99 Ų9989 Ų8961%0.60750%0.499SS*.  trans-87.792.914722.90000106A111 H115A111-T113 PolarHBondContact O-N 2.84Å; T113-H115 WeakPolarHBondContact CB-NE2 3.48Å; T113-H115 PolarHBondContact O-CD2 2.98Å; T113-H115 PolarHBondContact O-N 2.82Å; T113-H115 PolarHBondContact OG1-NE2 3.02Å
114C42.6Very low71Confident118 Ų11891.1 Ų91.180%0.79751%0.512SS*.  trans-67.176170-157.30000107.8S116C114-S116 PolarHBondContact O-N 3.28Å
115H57.6Low71.1Confident115 Ų11588 Ų8853%0.53249%0.491SS..PPolyproline II helixtrans-67121.8166.9-61.1-61.4000105.9T113 A117T113-H115 WeakPolarHBondContact CB-NE2 3.48Å; T113-H115 PolarHBondContact O-CD2 2.98Å; T113-H115 PolarHBondContact O-N 2.82Å; T113-H115 PolarHBondContact OG1-NE2 3.02Å; H115-A117 PolarHBondContact O-N 3.22Å
116S69.1Low70.9Confident32 Ų3287.9 Ų87.922%0.22450%0.503CS..PPolyproline II helixtrans-55133.1172.961.10000108C114 W210 C214C114-S116 PolarHBondContact O-N 3.28Å; S116-W210 VanDerWaalsContact O-CD1 3.24Å; S116-W210 PolarHBondContact O-NE1 3.47Å; S116-C214 WeakPolarHBondContact OG-CB 3.11Å; S116-C214 PolarHBondContact OG-O 3.34Å
117A80.9Confident71.3Confident42 Ų4285.3 Ų85.335%0.34748%0.482SS..PPolyproline II helixtrans-56.9135.5176.500000109.6Y69 H115Y69-A117 WeakPolarHBondContact O-CB 3.36Å; H115-A117 PolarHBondContact O-N 3.22Å
118P89.8Confident71.5Confident22 Ų2282.5 Ų82.514%0.14346%0.463CS..PPolyproline II helixtrans-60161.8172.719.2-25.9000111.2Y69 A74 H208 S209 W210Y69-P118 HydrophobicContact CD1-CG 4.13Å; Y69-P118 WeakPolarHBondContact CD1-O 3.37Å; Y69-P118 HydrophobicContact CE1-CB 4.25Å; Y69-P118 HydrophobicContact CE1-CG 3.92Å; A74-P118 HydrophobicContact CB-CG 4.23Å; P118-H208 HydrophobicContact CB-CB 3.71Å; P118-S209 CarbonylContact C-O 3.48Å; P118-S209 WeakPolarHBondContact CA-O 3.35Å; P118-W210 HydrophobicContact CB-CD2 4.38Å; P118-W210 HydrophobicContact CB-CH2 4.47Å; P118-W210 HydrophobicContact CB-CZ2 3.74Å; P118-W210 HydrophobicContact CG-CZ2 4.16Å
119V91.5Very high72.3Confident82 Ų8276 Ų7650%0.49744%0.436SS..EExtended strand (participates in β ladder)trans-116.1127.1167.7-1790000107.7S209V119-S209 PolarHBondContact N-O 3.36Å; V119-S209 PolarHBondContact O-N 3.29Å; V119-S209 PolarHBondContact O-OG 3.02Å
120L95.8Very high73Confident6 Ų673.2 Ų73.23%0.03143%0.428CS..EExtended strand (participates in β ladder)trans-68133.4174.9-170.863000110.3L61 P62 L65 Y69 L75 F206 F207L61-L120 HydrophobicContact CB-CD2 4.44Å; P62-L120 HydrophobicContact CB-CB 4.38Å; P62-L120 WeakPolarHBondContact CB-O 3.44Å; P62-L120 HydrophobicContact CG-CB 4.47Å; P62-L120 HydrophobicContact CG-CD2 4.37Å; P62-L120 HydrophobicContact CG-CG 4.24Å; L65-L120 HydrophobicContact CD1-CD2 3.81Å; Y69-L120 HydrophobicContact CE2-CB 4.08Å; L75-L120 HydrophobicContact CD2-CD1 3.94Å; L75-L120 HydrophobicContact CD2-CD2 3.94Å; L120-F206 HydrophobicContact CD1-CB 4.12Å; L120-F206 HydrophobicContact CD1-CD1 4.14Å; L120-F206 HydrophobicContact CD2-CD1 4.22Å; L120-F206 HydrophobicContact CG-CD1 4.29Å; L120-F207 CarbonylContact C-O 3.58Å; L120-F207 WeakPolarHBondContact CA-O 3.24Å
121R94.4Very high74.4Confident142 Ų14267.8 Ų67.854%0.53641%0.406SS..EExtended strand (participates in β ladder)trans-122.7150.8170.1-63.1-166.6-175.4-167.11.5109.1F206 F207 S209R121-F206 CarbonylContact O-C 3.59Å; R121-F206 WeakPolarHBondContact O-CA 3.33Å; R121-F207 PolarHBondContact N-O 3.35Å; R121-F207 PolarHBondContact O-N 2.89Å; R121-S209 WeakPolarHBondContact CG-OG 3.38Å; R121-S209 PolarHBondContact NE-OG 3.36Å
122V95.9Very high76.2Confident37 Ų3765.9 Ų65.922%0.22438%0.384CS..EExtended strand (participates in β ladder)trans-129.5134.5179.2610000108.6C59 P62 L204 V205 F206C59-V122 HydrophobicContact CB-CG1 4.2Å; P62-V122 HydrophobicContact CG-CB 4.35Å; P62-V122 HydrophobicContact CG-CG1 3.92Å; V122-L204 HydrophobicContact CG2-CB 4.31Å; V122-L204 HydrophobicContact CG2-CD2 4.49Å; V122-V205 CarbonylContact C-O 3.48Å; V122-V205 WeakPolarHBondContact CA-O 3.47Å; V122-F206 HydrophobicContact CB-CD1 4.06Å; V122-F206 HydrophobicContact CB-CE1 3.88Å; V122-F206 HydrophobicContact CG2-CD1 4.07Å; V122-F206 HydrophobicContact CG2-CE1 3.6Å; V122-F206 HydrophobicContact CG2-CE2 4.39Å; V122-F206 HydrophobicContact CG2-CZ 3.77Å
123E94.3Very high78.2Confident71 Ų7163.5 Ų63.533%0.33237%0.365SS..EExtended strand (participates in β ladder)trans-127.2139.3176.1-65.4-173.5-174.200110.1W125 L204 V205 F207E123-W125 PolarHBondContact OE2-NE1 2.94Å; E123-L204 WeakPolarHBondContact O-CA 3.46Å; E123-V205 PolarHBondContact N-O 3.12Å; E123-V205 PolarHBondContact O-N 2.88Å; E123-F207 HydrophobicContact CB-CE2 4.5Å; E123-F207 HydrophobicContact CG-CD2 4.42Å; E123-F207 HydrophobicContact CG-CE2 4.32Å
124E92.4Very high80.3Confident104 Ų10462.3 Ų62.349%0.48636%0.361SS..EExtended strand (participates in β ladder)trans-90121.6170.6-172.7174.1157.200108.9K202 L204E124-K202 VanDerWaalsContact CD-NZ 3.33Å; E124-K202 VanDerWaalsContact OE1-CD 3.32Å; E124-K202 WeakPolarHBondContact OE1-CD 3.28Å; E124-K202 WeakPolarHBondContact OE1-CE 3.36Å; E124-K202 IonicContact OE1-NZ 3.97Å; E124-K202 PolarHBondContact OE1-NZ 3.34Å; E124-K202 IonicContact OE2-NZ 3.76Å; E124-K202 PolarHBondContact OE2-NZ 2.9Å; E124-L204 HydrophobicContact CB-CD2 4.01Å; E124-L204 HydrophobicContact CG-CD2 4.18Å
125W90.6Very high82.5Confident9 Ų961.8 Ų61.83%0.03435%0.35CS..EExtended strand (participates in β ladder)trans-110.1148.5179.4-74.719.7000110E123 L127 L140 R143 V144 L203 V205 F207E123-W125 PolarHBondContact OE2-NE1 2.94Å; W125-L127 PolarHBondContact O-N 3.28Å; W125-L140 HydrophobicContact CE3-CD2 3.76Å; W125-L140 HydrophobicContact CZ3-CD2 4.06Å; W125-R143 VanDerWaalsContact CD1-CZ 3.43Å; W125-R143 VanDerWaalsContact CD1-NH2 3.26Å; W125-R143 HydrophobicContact CE3-CG 4.41Å; W125-R143 HydrophobicContact CH2-CB 3.66Å; W125-R143 HydrophobicContact CH2-CG 3.43Å; W125-R143 VanDerWaalsContact CH2-CG 3.43Å; W125-R143 HydrophobicContact CZ2-CB 4.31Å; W125-R143 HydrophobicContact CZ2-CG 3.56Å; W125-R143 HydrophobicContact CZ3-CB 3.83Å; W125-R143 HydrophobicContact CZ3-CG 3.89Å; W125-V144 HydrophobicContact CH2-CB 4.45Å; W125-V144 HydrophobicContact CH2-CG2 3.64Å; W125-V144 HydrophobicContact CZ3-CG2 3.88Å; W125-L203 HydrophobicContact CB-CD2 4.17Å; W125-L203 HydrophobicContact CB-CG 4.42Å; W125-L203 PolarHBondContact N-O 2.8Å; W125-V205 HydrophobicContact CB-CG2 4.19Å; W125-V205 HydrophobicContact CD2-CB 4.27Å; W125-V205 HydrophobicContact CD2-CG2 3.61Å; W125-V205 HydrophobicContact CE3-CG2 3.8Å; W125-V205 HydrophobicContact CG-CB 4.5Å; W125-V205 HydrophobicContact CG-CG2 3.8Å; W125-V205 HydrophobicContact CZ2-CG1 4.38Å; W125-V205 HydrophobicContact CZ3-CG2 4.38Å; W125-F207 HydrophobicContact CH2-CZ 4.08Å; W125-F207 HydrophobicContact CZ2-CE2 4.03Å; W125-F207 AromaticContact CZ2-CZ 3.63Å; W125-F207 HydrophobicContact CZ2-CZ 3.63Å
126P83.8Confident84Confident97 Ų9757.9 Ų57.963%0.6333%0.334SS*.  trans-61.4138.6173.627.6-32.5000109.1R143P126-R143 VanDerWaalsContact CD-NH1 3.35Å
127L78.8Confident85Confident53 Ų5357 Ų5728%0.27733%0.328SS..  trans-60.6136174.1-70170.2000109.2W125 G129 L159 L201 L203W125-L127 PolarHBondContact O-N 3.28Å; L127-G129 PolarHBondContact O-N 2.84Å; L127-L159 HydrophobicContact CD2-CD2 3.34Å; L127-L201 HydrophobicContact CD1-CB 3.9Å; L127-L201 VanDerWaalsContact CD1-O 3.3Å; L127-L201 WeakPolarHBondContact CD1-O 3.37Å; L127-L201 HydrophobicContact CD2-CB 4.45Å; L127-L203 HydrophobicContact CD2-CB 3.94Å
128P67.9Low85.6Confident17 Ų1760.6 Ų60.611%0.1133%0.332CS..  trans-65.525.8174.920.8-30.7000115.7T136 L140 F265 Y267P128-T136 HydrophobicContact CB-CG2 4.07Å; P128-T136 WeakPolarHBondContact O-CG2 3.19Å; P128-L140 HydrophobicContact CB-CD1 4.29Å; P128-L140 HydrophobicContact CG-CD1 3.94Å; P128-F265 HydrophobicContact CG-CZ 4.49Å; P128-Y267 WeakPolarHBondContact CD-OH 3.27Å; P128-Y267 HydrophobicContact CG-CE2 3.89Å; P128-Y267 WeakPolarHBondContact CG-OH 3.43Å
129G69.6Low85.7Confident35 Ų3562.4 Ų62.436%0.36135%0.349SS..  trans77.1-163.3-173.700000112.6L127 S131 Y267L127-G129 PolarHBondContact O-N 2.84Å; G129-S131 VanDerWaalsContact C-N 3.28Å; G129-S131 PolarHBondContact O-N 3.27Å; G129-Y267 PolarHBondContact O-OH 3.38Å
130D66.7Low85.7Confident86 Ų8659.7 Ų59.746%0.4633%0.331SS..SBendtrans-81.7-2.8-174.4-62.6-25000113.8P271D130-P271 HydrophobicContact CB-CG 4.43Å
131S72.1Confident85.7Confident64 Ų6460 Ų6045%0.44833%0.333SS..SBendtrans-153.6150.6-178.261.50000112.5G129 T133G129-S131 VanDerWaalsContact C-N 3.28Å; G129-S131 PolarHBondContact O-N 3.27Å; S131-T133 VanDerWaalsContact C-N 3.3Å; S131-T133 PolarHBondContact O-N 3.35Å
132L80.1Confident85.7Confident40 Ų4057.4 Ų57.421%0.20933%0.33CS..  trans-78.174.8174.2-71.7167.7000111V137 F265 Y267 L283L132-V137 HydrophobicContact CB-CG2 3.93Å; L132-V137 HydrophobicContact CD2-CG2 4Å; L132-V137 HydrophobicContact CG-CG2 4.5Å; L132-F265 HydrophobicContact CD1-CD1 3.85Å; L132-F265 HydrophobicContact CD1-CE1 4.22Å; L132-F265 HydrophobicContact CD2-CD1 3.61Å; L132-F265 HydrophobicContact CD2-CE1 3.55Å; L132-F265 HydrophobicContact CG-CD1 4.16Å; L132-F265 HydrophobicContact CG-CE1 4.11Å; L132-Y267 HydrophobicContact CD2-CD2 4.29Å; L132-Y267 HydrophobicContact CD2-CE2 4.14Å; L132-Y267 HydrophobicContact CG-CD2 3.86Å; L132-Y267 HydrophobicContact CG-CE2 4.21Å; L132-L283 HydrophobicContact CD1-CB 4.17Å
133T85.6Confident85.6Confident63 Ų6360.3 Ų60.339%0.38734%0.337SS..  trans-67.9154.1171.465.20000111S131 D135 T136 V137S131-T133 VanDerWaalsContact C-N 3.3Å; S131-T133 PolarHBondContact O-N 3.35Å; T133-D135 PolarHBondContact O-N 3.27Å; T133-D135 VanDerWaalsContact O-N 3.15Å; T133-T136 PolarHBondContact N-OG1 3.37Å; T133-T136 PolarHBondContact O-N 2.8Å; T133-T136 VanDerWaalsContact O-N 3.08Å; T133-T136 PolarHBondContact O-OG1 3.42Å; T133-T136 WeakPolarHBondContact OG1-CB 3.45Å; T133-T136 WeakPolarHBondContact OG1-CG2 3.32Å; T133-T136 PolarHBondContact OG1-N 2.96Å; T133-T136 PolarHBondContact OG1-OG1 2.63Å; T133-V137 WeakPolarHBondContact O-CG2 3.23Å; T133-V137 PolarHBondContact O-N 2.88Å
134S86.9Confident85.6Confident73 Ų7357.2 Ų57.251%0.5132%0.323SS..Hα-helixtrans-53.9-37.6178.8-1750000113R138S134-R138 WeakPolarHBondContact O-CB 3.33Å; S134-R138 PolarHBondContact O-N 2.51Å; S134-R138 PolarHBondContact OG-NH2 2.94Å
135D89.4Confident85.7Confident107 Ų10753.5 Ų53.557%0.57231%0.306SS*.Hα-helixtrans-72.9-36.9179.6-62.5-36000112.7T133 R138 A139T133-D135 PolarHBondContact O-N 3.27Å; T133-D135 VanDerWaalsContact O-N 3.15Å; D135-R138 PolarHBondContact O-N 3.35Å; D135-R138 IonicContact OD1-CZ 2.86Å; D135-R138 IonicContact OD1-NH1 2.69Å; D135-R138 PolarHBondContact OD1-NH1 3.48Å; D135-R138 IonicContact OD1-NH2 3.51Å; D135-A139 WeakPolarHBondContact O-CB 3.37Å; D135-A139 PolarHBondContact O-N 2.92Å
136T88.3Confident85.9Confident33 Ų3355.7 Ų55.720%0.20232%0.323CS..Hα-helixtrans-69.7-41.7176.457.80000111.6P128 T133 A139 L140P128-T136 HydrophobicContact CB-CG2 4.07Å; P128-T136 WeakPolarHBondContact O-CG2 3.19Å; T133-T136 PolarHBondContact N-OG1 3.37Å; T133-T136 PolarHBondContact O-N 2.8Å; T133-T136 VanDerWaalsContact O-N 3.08Å; T133-T136 PolarHBondContact O-OG1 3.42Å; T133-T136 WeakPolarHBondContact OG1-CB 3.45Å; T133-T136 WeakPolarHBondContact OG1-CG2 3.32Å; T133-T136 PolarHBondContact OG1-N 2.96Å; T133-T136 PolarHBondContact OG1-OG1 2.63Å; T136-A139 PolarHBondContact O-N 3.49Å; T136-L140 WeakPolarHBondContact O-CG 3.05Å; T136-L140 PolarHBondContact O-N 2.74Å
137V90.7Very high86.2Confident14 Ų1452.2 Ų52.29%0.08530%0.301CS..Hα-helixtrans-60.1-48.2173.4176.20000110.4L132 T133 A139 L140 I141 Q226 L283L132-V137 HydrophobicContact CB-CG2 3.93Å; L132-V137 HydrophobicContact CD2-CG2 4Å; L132-V137 HydrophobicContact CG-CG2 4.5Å; T133-V137 WeakPolarHBondContact O-CG2 3.23Å; T133-V137 PolarHBondContact O-N 2.88Å; V137-A139 VanDerWaalsContact C-N 3.34Å; V137-A139 PolarHBondContact O-N 3.36Å; V137-L140 PolarHBondContact O-N 2.94Å; V137-I141 WeakPolarHBondContact O-CG1 3.48Å; V137-I141 PolarHBondContact O-N 2.92Å; V137-Q226 HydrophobicContact CG1-CB 4.06Å; V137-L283 HydrophobicContact CG1-CD1 3.53Å; V137-L283 HydrophobicContact CG1-CD2 3.93Å; V137-L283 HydrophobicContact CG1-CG 4.32Å
138R92.2Very high86.8Confident118 Ų11850 Ų5045%0.44529%0.29SS..Hα-helixtrans-58.7-46.5177.6-169.7-174.2-58.5114.68111.3S134 D135 L140 I141 D142S134-R138 WeakPolarHBondContact O-CB 3.33Å; S134-R138 PolarHBondContact O-N 2.51Å; S134-R138 PolarHBondContact OG-NH2 2.94Å; D135-R138 PolarHBondContact O-N 3.35Å; D135-R138 IonicContact OD1-CZ 2.86Å; D135-R138 IonicContact OD1-NH1 2.69Å; D135-R138 PolarHBondContact OD1-NH1 3.48Å; D135-R138 IonicContact OD1-NH2 3.51Å; R138-L140 VanDerWaalsContact C-N 3.33Å; R138-L140 PolarHBondContact O-N 2.88Å; R138-I141 PolarHBondContact O-N 2.85Å; R138-D142 WeakPolarHBondContact O-CB 3.28Å; R138-D142 VanDerWaalsContact O-CG 3.25Å; R138-D142 PolarHBondContact O-N 2.89Å
139A92Very high87.7Confident59 Ų5957.8 Ų57.849%0.48832%0.317SS..Hα-helixtrans-61.3-39.3178.700000112.8D135 T136 V137 R143D135-A139 WeakPolarHBondContact O-CB 3.37Å; D135-A139 PolarHBondContact O-N 2.92Å; T136-A139 PolarHBondContact O-N 3.49Å; V137-A139 VanDerWaalsContact C-N 3.34Å; V137-A139 PolarHBondContact O-N 3.36Å; A139-R143 VanDerWaalsContact O-CB 3.31Å; A139-R143 WeakPolarHBondContact O-CB 3.49Å; A139-R143 PolarHBondContact O-N 3.08Å
140L92.3Very high88.5Confident25 Ų2559.2 Ų59.213%0.13133%0.332CS..Hα-helixtrans-62.1-51.1174.8-76173.4000111.3W125 P128 T136 V137 R138 R143 V144 L203W125-L140 HydrophobicContact CE3-CD2 3.76Å; W125-L140 HydrophobicContact CZ3-CD2 4.06Å; P128-L140 HydrophobicContact CB-CD1 4.29Å; P128-L140 HydrophobicContact CG-CD1 3.94Å; T136-L140 WeakPolarHBondContact O-CG 3.05Å; T136-L140 PolarHBondContact O-N 2.74Å; V137-L140 PolarHBondContact O-N 2.94Å; R138-L140 VanDerWaalsContact C-N 3.33Å; R138-L140 PolarHBondContact O-N 2.88Å; L140-R143 PolarHBondContact O-N 3.25Å; L140-V144 WeakPolarHBondContact O-CG2 3.34Å; L140-V144 PolarHBondContact O-N 3.4Å; L140-L203 HydrophobicContact CD2-CD2 4.04Å
141I94.9Very high89.4Confident13 Ų1356 Ų567%0.06732%0.319CS..Hα-helixtrans-64.9-41.5-179.2-63.9-63000111.4V137 R138 R143 V144 N145 Y224 Q226 V285V137-I141 WeakPolarHBondContact O-CG1 3.48Å; V137-I141 PolarHBondContact O-N 2.92Å; R138-I141 PolarHBondContact O-N 2.85Å; I141-R143 VanDerWaalsContact C-N 3.26Å; I141-R143 PolarHBondContact O-N 2.91Å; I141-V144 PolarHBondContact O-N 2.92Å; I141-N145 WeakPolarHBondContact CG2-ND2 3.41Å; I141-N145 WeakPolarHBondContact O-CB 3.5Å; I141-N145 PolarHBondContact O-N 3.15Å; I141-N145 PolarHBondContact O-ND2 3.3Å; I141-Y224 VanDerWaalsContact CG2-O 3.31Å; I141-Y224 WeakPolarHBondContact CG2-O 3.44Å; I141-Q226 HydrophobicContact CG1-CB 4.13Å; I141-V285 HydrophobicContact CD1-CG1 4.04Å; I141-V285 HydrophobicContact CD1-CG2 4.15Å
142D94.9Very high90.3Very high87 Ų8754 Ų5447%0.46530%0.304SS..Hα-helixtrans-61-38.5175.6-76-19.9000111.4R138 S146R138-D142 WeakPolarHBondContact O-CB 3.28Å; R138-D142 VanDerWaalsContact O-CG 3.25Å; R138-D142 PolarHBondContact O-N 2.89Å; D142-S146 VanDerWaalsContact O-CB 3.31Å; D142-S146 WeakPolarHBondContact O-CB 3.2Å; D142-S146 PolarHBondContact O-N 3.36Å; D142-S146 PolarHBondContact O-OG 3.47Å
143R94.8Very high90.9Very high98 Ų9853 Ų5337%0.3730%0.298SS..Hα-helixtrans-68.5-44.1175.5-167.4176.8175.5176.1-3.3111.7W125 P126 A139 L140 I141 N145 S146 S147W125-R143 VanDerWaalsContact CD1-CZ 3.43Å; W125-R143 VanDerWaalsContact CD1-NH2 3.26Å; W125-R143 HydrophobicContact CE3-CG 4.41Å; W125-R143 HydrophobicContact CH2-CB 3.66Å; W125-R143 HydrophobicContact CH2-CG 3.43Å; W125-R143 VanDerWaalsContact CH2-CG 3.43Å; W125-R143 HydrophobicContact CZ2-CB 4.31Å; W125-R143 HydrophobicContact CZ2-CG 3.56Å; W125-R143 HydrophobicContact CZ3-CB 3.83Å; W125-R143 HydrophobicContact CZ3-CG 3.89Å; P126-R143 VanDerWaalsContact CD-NH1 3.35Å; A139-R143 VanDerWaalsContact O-CB 3.31Å; A139-R143 WeakPolarHBondContact O-CB 3.49Å; A139-R143 PolarHBondContact O-N 3.08Å; L140-R143 PolarHBondContact O-N 3.25Å; I141-R143 VanDerWaalsContact C-N 3.26Å; I141-R143 PolarHBondContact O-N 2.91Å; R143-N145 VanDerWaalsContact C-N 3.34Å; R143-N145 PolarHBondContact O-N 3.04Å; R143-S146 WeakPolarHBondContact O-CB 3.24Å; R143-S146 PolarHBondContact O-N 3.04Å; R143-S146 VanDerWaalsContact O-N 3.13Å; R143-S147 PolarHBondContact O-N 3.23Å; R143-S147 PolarHBondContact O-OG 2.84Å
144V94.6Very high91.3Very high6 Ų650.5 Ų50.54%0.03628%0.282CS..Hα-helixtrans-57.6-48.3174.5171.20000110.5W125 L140 I141 S146 S147 A148 F154 Y224W125-V144 HydrophobicContact CH2-CB 4.45Å; W125-V144 HydrophobicContact CH2-CG2 3.64Å; W125-V144 HydrophobicContact CZ3-CG2 3.88Å; L140-V144 WeakPolarHBondContact O-CG2 3.34Å; L140-V144 PolarHBondContact O-N 3.4Å; I141-V144 PolarHBondContact O-N 2.92Å; V144-S146 VanDerWaalsContact C-N 3.29Å; V144-S146 PolarHBondContact O-N 3.39Å; V144-S147 PolarHBondContact O-N 2.84Å; V144-A148 WeakPolarHBondContact O-CB 3.47Å; V144-A148 PolarHBondContact O-N 2.79Å; V144-F154 HydrophobicContact CG1-CB 3.72Å; V144-F154 HydrophobicContact CG1-CD1 4.44Å; V144-F154 HydrophobicContact CG1-CD2 4.01Å; V144-F154 HydrophobicContact CG1-CG 3.83Å; V144-F154 HydrophobicContact CG2-CD2 3.87Å; V144-F154 HydrophobicContact CG2-CE2 3.96Å; V144-F154 HydrophobicContact CG2-CG 4.46Å; V144-Y224 HydrophobicContact CG1-CD1 4.03Å; V144-Y224 HydrophobicContact CG1-CD2 3.58Å; V144-Y224 HydrophobicContact CG1-CE1 4.49Å; V144-Y224 HydrophobicContact CG1-CE2 4.11Å; V144-Y224 HydrophobicContact CG1-CG 3.54Å
145N94.6Very high91.7Very high26 Ų2647.9 Ų47.914%0.13926%0.263CS..Hα-helixtrans-63.4-33.9176.4-80.2-45.6000112.8I141 R143 A148 R149 Y224I141-N145 WeakPolarHBondContact CG2-ND2 3.41Å; I141-N145 WeakPolarHBondContact O-CB 3.5Å; I141-N145 PolarHBondContact O-N 3.15Å; I141-N145 PolarHBondContact O-ND2 3.3Å; R143-N145 VanDerWaalsContact C-N 3.34Å; R143-N145 PolarHBondContact O-N 3.04Å; N145-A148 WeakPolarHBondContact O-CB 3.33Å; N145-A148 PolarHBondContact O-N 2.86Å; N145-R149 WeakPolarHBondContact O-CG 3.46Å; N145-R149 PolarHBondContact O-N 3.19Å; N145-R149 PolarHBondContact O-NH1 3.02Å; N145-Y224 PolarHBondContact ND2-O 2.87Å; N145-Y224 PolarHBondContact OD1-N 3.35Å
146S93.3Very high92Very high56 Ų5643.2 Ų43.239%0.39224%0.24SC..Hα-helixtrans-66.9-42.1175.2-59.40000111.9D142 R143 V144 A148 R149 G150D142-S146 VanDerWaalsContact O-CB 3.31Å; D142-S146 WeakPolarHBondContact O-CB 3.2Å; D142-S146 PolarHBondContact O-N 3.36Å; D142-S146 PolarHBondContact O-OG 3.47Å; R143-S146 WeakPolarHBondContact O-CB 3.24Å; R143-S146 PolarHBondContact O-N 3.04Å; R143-S146 VanDerWaalsContact O-N 3.13Å; V144-S146 VanDerWaalsContact C-N 3.29Å; V144-S146 PolarHBondContact O-N 3.39Å; S146-A148 VanDerWaalsContact C-N 3.34Å; S146-R149 PolarHBondContact O-N 2.86Å; S146-R149 PolarHBondContact OG-NH2 2.96Å; S146-G150 PolarHBondContact O-N 3.44Å
147S91.5Very high92.2Very high23 Ų2342.6 Ų42.616%0.16124%0.237CC..Hα-helixtrans-63-41.7170.9-61.80000111.3R143 V144 R149 G150 V152R143-S147 PolarHBondContact O-N 3.23Å; R143-S147 PolarHBondContact O-OG 2.84Å; V144-S147 PolarHBondContact O-N 2.84Å; S147-R149 VanDerWaalsContact C-N 3.34Å; S147-R149 PolarHBondContact O-N 3.03Å; S147-G150 VanDerWaalsContact O-CA 3.26Å; S147-G150 WeakPolarHBondContact O-CA 3.3Å; S147-G150 PolarHBondContact O-N 2.84Å; S147-V152 VanDerWaalsContact O-CG2 3.23Å; S147-V152 WeakPolarHBondContact O-CG2 3.22Å
148A90.3Very high92.3Very high6 Ų642.3 Ų42.35%0.0524%0.235CC..Hα-helixtrans-58.4-42.4177.900000113.1V144 N145 S146 G150 G151 V152 Y224V144-A148 WeakPolarHBondContact O-CB 3.47Å; V144-A148 PolarHBondContact O-N 2.79Å; N145-A148 WeakPolarHBondContact O-CB 3.33Å; N145-A148 PolarHBondContact O-N 2.86Å; S146-A148 VanDerWaalsContact C-N 3.34Å; A148-G150 PolarHBondContact O-N 3.11Å; A148-G150 VanDerWaalsContact O-N 3.17Å; A148-G151 PolarHBondContact O-N 3.26Å; A148-V152 WeakPolarHBondContact CA-O 3.45Å; A148-Y224 HydrophobicContact CB-CD2 4.09Å; A148-Y224 HydrophobicContact CB-CE2 3.68Å
149R87.9Confident92Very high182 Ų18238.6 Ų38.669%0.68722%0.224SC*.Hα-helixtrans-61.9-21.2172.4-69.2-171.7-58.1-86.65.7113.5N145 S146 S147 G151N145-R149 WeakPolarHBondContact O-CG 3.46Å; N145-R149 PolarHBondContact O-N 3.19Å; N145-R149 PolarHBondContact O-NH1 3.02Å; S146-R149 PolarHBondContact O-N 2.86Å; S146-R149 PolarHBondContact OG-NH2 2.96Å; S147-R149 VanDerWaalsContact C-N 3.34Å; S147-R149 PolarHBondContact O-N 3.03Å; R149-G151 VanDerWaalsContact C-N 3.26Å
150G85.4Confident91.6Very high65 Ų6536.6 Ų36.667%0.6721%0.205SC*.THydrogen-bonded Turntrans-801.7171.600000114.6S146 S147 A148S146-G150 PolarHBondContact O-N 3.44Å; S147-G150 VanDerWaalsContact O-CA 3.26Å; S147-G150 WeakPolarHBondContact O-CA 3.3Å; S147-G150 PolarHBondContact O-N 2.84Å; A148-G150 PolarHBondContact O-N 3.11Å; A148-G150 VanDerWaalsContact O-N 3.17Å
151G86.1Confident90.8Very high17 Ų1737.1 Ų37.118%0.17521%0.206CC..THydrogen-bonded Turntrans84.32317700000114.7A148 R149A148-G151 PolarHBondContact O-N 3.26Å; R149-G151 VanDerWaalsContact C-N 3.26Å
152V90.8Very high89.3Confident22 Ų2239.1 Ų39.113%0.13322%0.219CC..EExtended strand (participates in β ladder)trans-109.8151.8170.6-58.70000110.9S147 A148 F207 H208S147-V152 VanDerWaalsContact O-CG2 3.23Å; S147-V152 WeakPolarHBondContact O-CG2 3.22Å; A148-V152 WeakPolarHBondContact CA-O 3.45Å; V152-F207 HydrophobicContact CB-CB 4.15Å; V152-F207 HydrophobicContact CB-CD1 4.46Å; V152-F207 HydrophobicContact CG2-CB 4.22Å; V152-F207 HydrophobicContact CG2-CD1 3.78Å; V152-F207 HydrophobicContact CG2-CE1 4.42Å; V152-F207 HydrophobicContact CG2-CG 4.1Å; V152-H208 CarbonylContact C-O 3.58Å; V152-H208 VanDerWaalsContact CA-O 3.26Å; V152-H208 WeakPolarHBondContact CA-O 3.33Å; V152-H208 WeakPolarHBondContact CB-O 3.38Å
153Q92.4Very high87.3Confident21 Ų2138.3 Ų38.310%0.09822%0.22CC..EExtended strand (participates in β ladder)trans-107.3131.7177.3-178.9176.242.500109.3F207 H208 W210 Y224 E287Q153-F207 CarbonylContact O-C 3.55Å; Q153-F207 WeakPolarHBondContact O-CA 3.43Å; Q153-H208 HydrophobicContact CB-CB 4.32Å; Q153-H208 PolarHBondContact N-O 3.35Å; Q153-H208 PolarHBondContact O-N 2.87Å; Q153-W210 HydrophobicContact CB-CH2 3.64Å; Q153-W210 HydrophobicContact CB-CZ3 3.69Å; Q153-Y224 WeakPolarHBondContact CG-OH 3.34Å; Q153-E287 PolarHBondContact NE2-OE1 2.89Å
154F94.8Very high85Confident10 Ų1036.9 Ų36.94%0.04424%0.236CC..EExtended strand (participates in β ladder)trans-75.5136176172.4-95.2000110.3V144 V205 F207 Y224 V262 D263 V285V144-F154 HydrophobicContact CG1-CB 3.72Å; V144-F154 HydrophobicContact CG1-CD1 4.44Å; V144-F154 HydrophobicContact CG1-CD2 4.01Å; V144-F154 HydrophobicContact CG1-CG 3.83Å; V144-F154 HydrophobicContact CG2-CD2 3.87Å; V144-F154 HydrophobicContact CG2-CE2 3.96Å; V144-F154 HydrophobicContact CG2-CG 4.46Å; F154-V205 HydrophobicContact CD2-CG1 3.71Å; F154-V205 HydrophobicContact CE2-CG1 3.5Å; F154-V205 VanDerWaalsContact CE2-CG1 3.5Å; F154-F207 HydrophobicContact CB-CD1 4.04Å; F154-F207 HydrophobicContact CB-CE1 3.9Å; F154-F207 HydrophobicContact CD2-CD1 4.44Å; F154-F207 AromaticContact CD2-CE1 3.85Å; F154-F207 HydrophobicContact CD2-CE1 3.85Å; F154-F207 HydrophobicContact CD2-CZ 4.21Å; F154-F207 HydrophobicContact CG-CE1 4.38Å; F154-Y224 HydrophobicContact CB-CD1 4.31Å; F154-Y224 HydrophobicContact CB-CE1 3.64Å; F154-Y224 HydrophobicContact CB-CE2 4.31Å; F154-Y224 HydrophobicContact CD1-CD1 4.24Å; F154-Y224 HydrophobicContact CD1-CE1 4.02Å; F154-Y224 HydrophobicContact CG-CE1 4.29Å; F154-Y224 PolarHBondContact N-OH 2.8Å; F154-V262 HydrophobicContact CD1-CG2 3.99Å; F154-V262 HydrophobicContact CE1-CG2 4.1Å; F154-D263 HydrophobicContact CE1-CB 3.63Å; F154-D263 HydrophobicContact CZ-CB 3.99Å; F154-V285 HydrophobicContact CD1-CG1 4.34Å; F154-V285 HydrophobicContact CE1-CB 4.29Å; F154-V285 HydrophobicContact CE1-CG1 3.93Å
155V94.8Very high82.4Confident17 Ų1741.3 Ų41.310%0.10326%0.263CS..EExtended strand (participates in β ladder)trans-107.4-41.9-178.4-177.60000110.8L75 F206 H208L75-V155 HydrophobicContact CB-CG1 4.3Å; L75-V155 HydrophobicContact CD2-CG1 4.05Å; L75-V155 HydrophobicContact CG-CG1 4.05Å; L75-V155 WeakPolarHBondContact O-CG1 3.36Å; V155-F206 HydrophobicContact CB-CB 4.16Å; V155-F206 PolarHBondContact N-O 2.89Å; V155-H208 HydrophobicContact CG2-CB 4.43Å; V155-H208 WeakPolarHBondContact CG2-CD2 3.41Å; V155-H208 VanDerWaalsContact CG2-NE2 3.33Å; V155-H208 WeakPolarHBondContact CG2-NE2 3.49Å
156G94.8Very high79.3Confident10 Ų1046.6 Ų46.610%0.10330%0.297CS..EExtended strand (participates in β ladder)trans162.9173.3-177.800000112.3F206G156-F206 PolarHBondContact O-N 2.71Å
157S93.7Very high76.6Confident20 Ų2053.6 Ų53.614%0.1432%0.32CS..EExtended strand (participates in β ladder)trans-129.1143.8-178.567.30000111.2L204 D263S157-L204 CarbonylContact C-O 3.52Å; S157-L204 VanDerWaalsContact CA-O 3.31Å; S157-L204 WeakPolarHBondContact CA-O 3.45Å; S157-D263 WeakPolarHBondContact CB-OD2 3.33Å; S157-D263 PolarHBondContact N-OD2 3.09Å; S157-D263 PolarHBondContact OG-OD2 3Å
158V91.3Very high73.6Confident7 Ų755.4 Ų55.44%0.04234%0.342CS..EExtended strand (participates in β ladder)trans-136.1132-178.2179.40000109.8L58 L78 Y97 Q160 L204 F206L58-V158 HydrophobicContact CD1-CG1 4.02Å; L78-V158 HydrophobicContact CB-CG2 4.21Å; L78-V158 HydrophobicContact CD2-CG2 3.81Å; L78-V158 HydrophobicContact CG-CG2 3.88Å; L78-V158 WeakPolarHBondContact O-CG2 3.35Å; Y97-V158 HydrophobicContact CD1-CG1 4.06Å; Y97-V158 HydrophobicContact CE1-CG1 3.62Å; V158-Q160 PolarHBondContact O-N 2.86Å; V158-L204 PolarHBondContact N-O 2.68Å; V158-L204 PolarHBondContact O-N 3.49Å; V158-F206 HydrophobicContact CB-CE2 4.46Å; V158-F206 HydrophobicContact CG2-CE2 4.38Å
159L87.1Confident70.8Confident41 Ų4163.1 Ų63.122%0.21538%0.382CS..EExtended strand (participates in β ladder)trans-81.6106.4167.9-68.8173.9000108.9L127 K202 L203 F265 Y267L127-L159 HydrophobicContact CD2-CD2 3.34Å; L159-K202 WeakPolarHBondContact CA-O 3.45Å; L159-L203 HydrophobicContact CD2-CB 4.3Å; L159-L203 HydrophobicContact CD2-CD1 4Å; L159-F265 HydrophobicContact CD1-CE2 3.86Å; L159-F265 HydrophobicContact CD1-CZ 3.91Å; L159-F265 HydrophobicContact CD2-CE2 3.92Å; L159-F265 HydrophobicContact CD2-CZ 4.13Å; L159-F265 HydrophobicContact CG-CE2 3.71Å; L159-F265 HydrophobicContact CG-CZ 4.16Å; L159-Y267 HydrophobicContact CD1-CD1 4.15Å; L159-Y267 HydrophobicContact CD1-CE1 3.96Å
160Q83.9Confident68Low16 Ų1660.1 Ų60.18%0.07539%0.389CS..EExtended strand (participates in β ladder)trans-89.5132175-168.1-172.3-68.100110L45 L58 V158 L201 K202 L204L45-Q160 HydrophobicContact CD1-CG 3.77Å; L58-Q160 VanDerWaalsContact CB-OE1 3.26Å; L58-Q160 HydrophobicContact CD1-CB 4.16Å; L58-Q160 HydrophobicContact CD1-CG 4.02Å; L58-Q160 HydrophobicContact CG-CG 4.36Å; V158-Q160 PolarHBondContact O-N 2.86Å; Q160-L201 WeakPolarHBondContact O-CA 3.25Å; Q160-K202 PolarHBondContact N-O 3.32Å; Q160-K202 PolarHBondContact O-N 2.95Å; Q160-L204 HydrophobicContact CB-CD1 4.01Å; Q160-L204 HydrophobicContact CB-CG 4.42Å
161Q74.6Confident65.5Low36 Ų3662.7 Ų62.717%0.16839%0.394CS..EExtended strand (participates in β ladder)trans-77.6132.9167.8-50.3-158.7-3700111L95 D200 L201L95-Q161 HydrophobicContact CD2-CB 3.88Å; L95-Q161 HydrophobicContact CD2-CG 4.44Å; Q161-D200 CarbonylContact C-O 3.58Å; Q161-D200 WeakPolarHBondContact CA-O 3.29Å; Q161-L201 HydrophobicContact CB-CD2 4.19Å; Q161-L201 HydrophobicContact CG-CD2 3.67Å
162V63.6Low63Low55 Ų5567.6 Ų67.633%0.33343%0.425SS..  trans-90.3104.1173.1-175.20000107.2G164 D200 K202V162-G164 PolarHBondContact O-N 2.88Å; V162-G164 VanDerWaalsContact O-N 3.09Å; V162-D200 PolarHBondContact N-O 2.77Å; V162-K202 HydrophobicContact CG2-CD 3.59Å; V162-K202 HydrophobicContact CG2-CG 3.65Å
163S53.5Low60.3Low70 Ų7078.6 Ų78.649%0.4946%0.464SS..  trans-71.3105.2178.7-1490000109.5V165S163-V165 PolarHBondContact O-N 3.31Å
164G45.6Very low57.2Low69 Ų6980.5 Ų80.571%0.71149%0.49SS*.  trans-74.438.9178.800000114.3V162 T166V162-G164 PolarHBondContact O-N 2.88Å; V162-G164 VanDerWaalsContact O-N 3.09Å; G164-T166 PolarHBondContact O-N 3.37Å; G164-T166 VanDerWaalsContact O-N 3.15Å
165V40.2Very low54.2Low98 Ų9886.1 Ų86.159%0.59453%0.529SS*.  trans-88.775.1-179.6-174.70000109.9S163 F167S163-V165 PolarHBondContact O-N 3.31Å; V165-F167 HydrophobicContact CG1-CD2 3.27Å; V165-F167 HydrophobicContact CG1-CE2 3.56Å; V165-F167 HydrophobicContact CG1-CG 4.39Å; V165-F167 PolarHBondContact O-N 2.86Å
166T30.1Very low51.2Low138 Ų13896.3 Ų96.385%0.84757%0.565SS**  trans-84.785.3157.221.40000109G164 G168G164-T166 PolarHBondContact O-N 3.37Å; G164-T166 VanDerWaalsContact O-N 3.15Å; T166-G168 PolarHBondContact O-N 2.69Å
167F36.8Very low48.1Very low203 Ų203101 Ų10189%0.8960%0.596SS**  trans-72.9100155-83.6-76.8000107.9V165V165-F167 HydrophobicContact CG1-CD2 3.27Å; V165-F167 HydrophobicContact CG1-CE2 3.56Å; V165-F167 HydrophobicContact CG1-CG 4.39Å; V165-F167 PolarHBondContact O-N 2.86Å
168G28.1Very low45.7Very low60 Ų60105.7 Ų105.762%0.61963%0.627SS**  trans-170.572.1-176.300000114.4T166 S170T166-G168 PolarHBondContact O-N 2.69Å; G168-S170 PolarHBondContact O-N 3.17Å
169L31.5Very low43.5Very low169 Ų169111.1 Ų111.189%0.88566%0.662SS**  trans37.486.7137.8-60.1166.7000116.3P171L169-P171 WeakPolarHBondContact O-CD 3.37Å
170S29.4Very low41Very low119 Ų119120.9 Ų120.983%0.83270%0.696SS**  trans-56.2121.2154-50.10000108.1G168 S172G168-S170 PolarHBondContact O-N 3.17Å; S170-S172 PolarHBondContact O-N 3.21Å; S170-S172 VanDerWaalsContact O-N 3.14Å
171P32.8Very low38.7Very low118 Ų118126.5 Ų126.577%0.76673%0.731SS**  trans-65.8122174.6-6.920000107.5L169 R173L169-P171 WeakPolarHBondContact O-CD 3.37Å; P171-R173 PolarHBondContact O-N 3.07Å
172S32.9Very low38Very low120 Ų120130.2 Ų130.284%0.83976%0.759SS**  trans-5099.816454.40000109.7S170 G174S170-S172 PolarHBondContact O-N 3.21Å; S170-S172 VanDerWaalsContact O-N 3.14Å; S172-G174 PolarHBondContact O-N 3.49Å
173R34.3Very low37.2Very low254 Ų254133.7 Ų133.796%0.95878%0.783SS**  trans-87.893.4160.4-110.6-173.7178.6-153.41107.7P171P171-R173 PolarHBondContact O-N 3.07Å
174G28.2Very low36.2Very low61 Ų61138.9 Ų138.963%0.62980%0.799SS**  trans-71.3150.2165.800000112.2S172S172-G174 PolarHBondContact O-N 3.49Å
175C30.6Very low35.8Very low128 Ų128142.3 Ų142.387%0.86581%0.806SS**  trans104.4106.6144.2-59.30000120.5
176R31.4Very low35.9Very low230 Ų230142.9 Ų142.987%0.86881%0.812SS**  trans88.3100.5134.7-76.8-175.4-176.1-120.2-0.3122.9
177S30.9Very low36.3Very low108 Ų108142.5 Ų142.576%0.75581%0.812SS**  63.6160121.4-43.60000122.6
178P42.3Very low36.1Very low120 Ų120135.9 Ų135.978%0.77980%0.801SS**  cis-130.2-176.4-14.530.8-7.1000114.4
179P45.9Very low36.7Very low120 Ų120140.8 Ų140.878%0.77981%0.813SS**  trans-97.6147.4-166.636.7-29.8000114.5
180R34.8Very low36.9Very low246 Ų246143.9 Ų143.993%0.92881%0.813SS**  trans-146.9123.8159.4-78.4-164.1170.6-162.2-3.3112.9
181T36.1Very low37.1Very low134 Ų134147.4 Ų147.482%0.82282%0.816SS**  trans-0.2154.1162.737.30000124.1
182P59.4Low37.1Very low115 Ų115150 Ų15075%0.74782%0.818SS**  trans-95176-169.941.6-35.5000113.9
183P46.1Very low37.1Very low128 Ų128152 Ų15283%0.83181%0.814SS**  -149.4171.5100.835.9-15.9000117.4
184Q32.5Very low37Very low179 Ų179147.8 Ų147.884%0.83681%0.805SS**  trans-56.8151.7-175.3-64.2169.6-25.400118.3
185T37.3Very low37.1Very low141 Ų141151 Ų15187%0.86580%0.804SS**  -174.5158.212618.60000111.4
186P42.6Very low37.2Very low109 Ų109149.9 Ų149.971%0.70879%0.793SS**PPolyproline II helixtrans-85.2162.6-148.734.5-35.7000114.6G188P186-G188 PolarHBondContact O-N 3.34Å
187P39.3Very low37.6Very low130 Ų130147.1 Ų147.184%0.84478%0.784SS**PPolyproline II helixtrans-75.2117177.830.8-29000109.4
188G31.9Very low38.3Very low64 Ų64144.2 Ų144.266%0.6676%0.763SS**PPolyproline II helixtrans-74.2132.7159.500000108.8P186 R190P186-G188 PolarHBondContact O-N 3.34Å; G188-R190 PolarHBondContact O-N 2.97Å
189D39.7Very low38.6Very low164 Ų164143.5 Ų143.588%0.87776%0.759SS**  trans-44.5107.5176.2-62.8-48.3000111.3
190R36.4Very low39.6Very low233 Ų233141 Ų14188%0.87974%0.739SS**  trans-112.698.1151.5-73.9-171.9172177.4-1.9104.9G188 Q192G188-R190 PolarHBondContact O-N 2.97Å; R190-Q192 PolarHBondContact O-N 3.07Å
191E34.3Very low41.7Very low193 Ų193130.5 Ų130.590%0.90270%0.701SS**  trans-56.188.3154.8-68.1179.8144.300106.2E193E191-E193 VanDerWaalsContact C-N 3.34Å; E191-E193 PolarHBondContact O-N 3.24Å; E191-E193 VanDerWaalsContact O-N 3.13Å
192Q32Very low44Very low172 Ų172127.5 Ų127.580%0.80468%0.677SS**  trans-72.8100.6167.4-172.114726.400103.8R190 E194R190-Q192 PolarHBondContact O-N 3.07Å; Q192-E194 PolarHBondContact O-N 3.21Å
193E32.6Very low45.4Very low162 Ų162122.1 Ų122.176%0.75764%0.642SS**  trans-53.691.5164.6-80.3177.8145.600107.3E191 H195E191-E193 VanDerWaalsContact C-N 3.34Å; E191-E193 PolarHBondContact O-N 3.24Å; E191-E193 VanDerWaalsContact O-N 3.13Å; E193-H195 PolarHBondContact O-N 3.46Å
194E32.1Very low47.7Very low166 Ų166116.1 Ų116.178%0.77660%0.603SS**  trans-72.780.4171.3-154.5176.3-161.100105.2Q192 T196Q192-E194 PolarHBondContact O-N 3.21Å; E194-T196 PolarHBondContact O-N 2.72Å; E194-T196 PolarHBondContact O-OG1 3.14Å
195H30.8Very low50.7Low129 Ų129107.7 Ų107.760%0.59756%0.563SS**  trans-62.582158.9-75.9-67.2000107E193 Y197E193-H195 PolarHBondContact O-N 3.46Å; H195-Y197 HydrophobicContact CB-CD2 3.93Å; H195-Y197 HydrophobicContact CB-CE2 3.71Å; H195-Y197 WeakPolarHBondContact O-CD2 3.45Å; H195-Y197 PolarHBondContact O-N 3.41Å
196T33.8Very low53.5Low104 Ų104101 Ų10164%0.63852%0.522SS*.  trans-71.473.7170.2-46.50000108E194 S198E194-T196 PolarHBondContact O-N 2.72Å; E194-T196 PolarHBondContact O-OG1 3.14Å; T196-S198 PolarHBondContact O-N 2.93Å
197Y39Very low56Low173 Ų17396 Ų9668%0.67849%0.489SS*.  trans-54.3130.8158.9-73.6-86000107.3H195 P199H195-Y197 HydrophobicContact CB-CD2 3.93Å; H195-Y197 HydrophobicContact CB-CE2 3.71Å; H195-Y197 WeakPolarHBondContact O-CD2 3.45Å; H195-Y197 PolarHBondContact O-N 3.41Å; Y197-P199 WeakPolarHBondContact O-CD 3.43Å; Y197-P199 WeakPolarHBondContact O-CG 3.29Å
198S46.3Very low58.6Low46 Ų4690.3 Ų90.332%0.32245%0.451SS..  trans-74.198.1167.638.50000107.6T196 D200T196-S198 PolarHBondContact O-N 2.93Å; S198-D200 PolarHBondContact O-N 3.29Å
199P48.1Very low61.5Low106 Ų10687.5 Ų87.569%0.68842%0.422SS*.THydrogen-bonded Turntrans-76.64.8-168.26.212.3000112.8Y197Y197-P199 WeakPolarHBondContact O-CD 3.43Å; Y197-P199 WeakPolarHBondContact O-CG 3.29Å
200D67.7Low63.8Low68 Ų6881 Ų8136%0.36439%0.385SS..THydrogen-bonded Turntrans-100.20.7-164.3-53.4-29.1000113.3R89 Q161 V162 S198R89-D200 IonicContact NH1-OD2 3.29Å; R89-D200 PolarHBondContact NH1-OD2 3.3Å; Q161-D200 CarbonylContact C-O 3.58Å; Q161-D200 WeakPolarHBondContact CA-O 3.29Å; V162-D200 PolarHBondContact N-O 2.77Å; S198-D200 PolarHBondContact O-N 3.29Å
201L77Confident66Low25 Ų2572.8 Ų72.813%0.13136%0.362CS..EExtended strand (participates in β ladder)trans-121.2144.8-178.6-64-179.7000111.4L127 Q160 Q161L127-L201 HydrophobicContact CD1-CB 3.9Å; L127-L201 VanDerWaalsContact CD1-O 3.3Å; L127-L201 WeakPolarHBondContact CD1-O 3.37Å; L127-L201 HydrophobicContact CD2-CB 4.45Å; Q160-L201 WeakPolarHBondContact O-CA 3.25Å; Q161-L201 HydrophobicContact CB-CD2 4.19Å; Q161-L201 HydrophobicContact CG-CD2 3.67Å
202K84.8Confident68Low71 Ų7170.1 Ų70.131%0.30936%0.361SS..EExtended strand (participates in β ladder)trans-129.7133.5173.2-69.9178.4168-138.80110E124 L159 Q160 V162E124-K202 VanDerWaalsContact CD-NZ 3.33Å; E124-K202 VanDerWaalsContact OE1-CD 3.32Å; E124-K202 WeakPolarHBondContact OE1-CD 3.28Å; E124-K202 WeakPolarHBondContact OE1-CE 3.36Å; E124-K202 IonicContact OE1-NZ 3.97Å; E124-K202 PolarHBondContact OE1-NZ 3.34Å; E124-K202 IonicContact OE2-NZ 3.76Å; E124-K202 PolarHBondContact OE2-NZ 2.9Å; L159-K202 WeakPolarHBondContact CA-O 3.45Å; Q160-K202 PolarHBondContact N-O 3.32Å; Q160-K202 PolarHBondContact O-N 2.95Å; V162-K202 HydrophobicContact CG2-CD 3.59Å; V162-K202 HydrophobicContact CG2-CG 3.65Å
203L90.1Very high69.9Low2 Ų266.1 Ų66.11%0.0137%0.366CS..EExtended strand (participates in β ladder)trans-85.9112.3171.1-177.361.7000108.9W125 L127 L140 L159 V205 F265W125-L203 HydrophobicContact CB-CD2 4.17Å; W125-L203 HydrophobicContact CB-CG 4.42Å; W125-L203 PolarHBondContact N-O 2.8Å; L127-L203 HydrophobicContact CD2-CB 3.94Å; L140-L203 HydrophobicContact CD2-CD2 4.04Å; L159-L203 HydrophobicContact CD2-CB 4.3Å; L159-L203 HydrophobicContact CD2-CD1 4Å; L203-V205 HydrophobicContact CD2-CG2 4.45Å; L203-V205 HydrophobicContact CG-CG2 4.12Å; L203-F265 HydrophobicContact CD1-CD2 4.33Å; L203-F265 HydrophobicContact CD1-CE2 3.72Å
204L93.3Very high71.9Confident2 Ų261 Ų611%0.0135%0.347CS..EExtended strand (participates in β ladder)trans-101.3131.6172.6-61.7-178.5000109.3L58 V122 E123 E124 S157 V158 Q160 F206L58-L204 HydrophobicContact CB-CD1 3.69Å; L58-L204 HydrophobicContact CD1-CD1 4.27Å; L58-L204 HydrophobicContact CG-CD1 4.47Å; V122-L204 HydrophobicContact CG2-CB 4.31Å; V122-L204 HydrophobicContact CG2-CD2 4.49Å; E123-L204 WeakPolarHBondContact O-CA 3.46Å; E124-L204 HydrophobicContact CB-CD2 4.01Å; E124-L204 HydrophobicContact CG-CD2 4.18Å; S157-L204 CarbonylContact C-O 3.52Å; S157-L204 VanDerWaalsContact CA-O 3.31Å; S157-L204 WeakPolarHBondContact CA-O 3.45Å; V158-L204 PolarHBondContact N-O 2.68Å; V158-L204 PolarHBondContact O-N 3.49Å; Q160-L204 HydrophobicContact CB-CD1 4.01Å; Q160-L204 HydrophobicContact CB-CG 4.42Å; L204-F206 HydrophobicContact CB-CE2 3.91Å; L204-F206 HydrophobicContact CB-CZ 4.28Å
205V95.7Very high73.8Confident2 Ų254.1 Ų54.11%0.01232%0.319CS..EExtended strand (participates in β ladder)trans-119.3131.4-178.5-174.60000109.5V122 E123 W125 F154 L203 F207V122-V205 CarbonylContact C-O 3.48Å; V122-V205 WeakPolarHBondContact CA-O 3.47Å; E123-V205 PolarHBondContact N-O 3.12Å; E123-V205 PolarHBondContact O-N 2.88Å; W125-V205 HydrophobicContact CB-CG2 4.19Å; W125-V205 HydrophobicContact CD2-CB 4.27Å; W125-V205 HydrophobicContact CD2-CG2 3.61Å; W125-V205 HydrophobicContact CE3-CG2 3.8Å; W125-V205 HydrophobicContact CG-CB 4.5Å; W125-V205 HydrophobicContact CG-CG2 3.8Å; W125-V205 HydrophobicContact CZ2-CG1 4.38Å; W125-V205 HydrophobicContact CZ3-CG2 4.38Å; F154-V205 HydrophobicContact CD2-CG1 3.71Å; F154-V205 HydrophobicContact CE2-CG1 3.5Å; F154-V205 VanDerWaalsContact CE2-CG1 3.5Å; L203-V205 HydrophobicContact CD2-CG2 4.45Å; L203-V205 HydrophobicContact CG-CG2 4.12Å; V205-F207 HydrophobicContact CB-CE2 4.06Å; V205-F207 HydrophobicContact CB-CZ 4.47Å; V205-F207 HydrophobicContact CG1-CD2 4.24Å; V205-F207 HydrophobicContact CG1-CE1 4.32Å; V205-F207 HydrophobicContact CG1-CE2 3.44Å; V205-F207 VanDerWaalsContact CG1-CE2 3.44Å; V205-F207 HydrophobicContact CG1-CZ 3.48Å; V205-F207 VanDerWaalsContact CG1-CZ 3.48Å
206F96.6Very high75.7Confident1 Ų149.2 Ų49.20%0.00430%0.299CS..EExtended strand (participates in β ladder)trans-109.5135.1-174.4-65.8-92.4000111.2L58 L61 L78 L120 R121 V122 V155 G156 V158 L204L58-F206 HydrophobicContact CB-CZ 4.17Å; L61-F206 HydrophobicContact CB-CE1 4.41Å; L61-F206 HydrophobicContact CD1-CE1 4Å; L61-F206 HydrophobicContact CD1-CZ 4.1Å; L78-F206 HydrophobicContact CD2-CD2 3.91Å; L78-F206 HydrophobicContact CD2-CE1 4.03Å; L78-F206 HydrophobicContact CD2-CE2 3.37Å; L78-F206 HydrophobicContact CD2-CG 4.47Å; L78-F206 HydrophobicContact CD2-CZ 3.43Å; L78-F206 VanDerWaalsContact CD2-CZ 3.43Å; L120-F206 HydrophobicContact CD1-CB 4.12Å; L120-F206 HydrophobicContact CD1-CD1 4.14Å; L120-F206 HydrophobicContact CD2-CD1 4.22Å; L120-F206 HydrophobicContact CG-CD1 4.29Å; R121-F206 CarbonylContact O-C 3.59Å; R121-F206 WeakPolarHBondContact O-CA 3.33Å; V122-F206 HydrophobicContact CB-CD1 4.06Å; V122-F206 HydrophobicContact CB-CE1 3.88Å; V122-F206 HydrophobicContact CG2-CD1 4.07Å; V122-F206 HydrophobicContact CG2-CE1 3.6Å; V122-F206 HydrophobicContact CG2-CE2 4.39Å; V122-F206 HydrophobicContact CG2-CZ 3.77Å; V155-F206 HydrophobicContact CB-CB 4.16Å; V155-F206 PolarHBondContact N-O 2.89Å; G156-F206 PolarHBondContact O-N 2.71Å; V158-F206 HydrophobicContact CB-CE2 4.46Å; V158-F206 HydrophobicContact CG2-CE2 4.38Å; L204-F206 HydrophobicContact CB-CE2 3.91Å; L204-F206 HydrophobicContact CB-CZ 4.28Å
207F95.3Very high77.2Confident2 Ų251.7 Ų51.71%0.00931%0.307CS..EExtended strand (participates in β ladder)trans-130.3142.7178.7-61.5-84.5000111.3L120 R121 E123 W125 V152 Q153 F154 V205L120-F207 CarbonylContact C-O 3.58Å; L120-F207 WeakPolarHBondContact CA-O 3.24Å; R121-F207 PolarHBondContact N-O 3.35Å; R121-F207 PolarHBondContact O-N 2.89Å; E123-F207 HydrophobicContact CB-CE2 4.5Å; E123-F207 HydrophobicContact CG-CD2 4.42Å; E123-F207 HydrophobicContact CG-CE2 4.32Å; W125-F207 HydrophobicContact CH2-CZ 4.08Å; W125-F207 HydrophobicContact CZ2-CE2 4.03Å; W125-F207 AromaticContact CZ2-CZ 3.63Å; W125-F207 HydrophobicContact CZ2-CZ 3.63Å; V152-F207 HydrophobicContact CB-CB 4.15Å; V152-F207 HydrophobicContact CB-CD1 4.46Å; V152-F207 HydrophobicContact CG2-CB 4.22Å; V152-F207 HydrophobicContact CG2-CD1 3.78Å; V152-F207 HydrophobicContact CG2-CE1 4.42Å; V152-F207 HydrophobicContact CG2-CG 4.1Å; Q153-F207 CarbonylContact O-C 3.55Å; Q153-F207 WeakPolarHBondContact O-CA 3.43Å; F154-F207 HydrophobicContact CB-CD1 4.04Å; F154-F207 HydrophobicContact CB-CE1 3.9Å; F154-F207 HydrophobicContact CD2-CD1 4.44Å; F154-F207 AromaticContact CD2-CE1 3.85Å; F154-F207 HydrophobicContact CD2-CE1 3.85Å; F154-F207 HydrophobicContact CD2-CZ 4.21Å; F154-F207 HydrophobicContact CG-CE1 4.38Å; V205-F207 HydrophobicContact CB-CE2 4.06Å; V205-F207 HydrophobicContact CB-CZ 4.47Å; V205-F207 HydrophobicContact CG1-CD2 4.24Å; V205-F207 HydrophobicContact CG1-CE1 4.32Å; V205-F207 HydrophobicContact CG1-CE2 3.44Å; V205-F207 VanDerWaalsContact CG1-CE2 3.44Å; V205-F207 HydrophobicContact CG1-CZ 3.48Å; V205-F207 VanDerWaalsContact CG1-CZ 3.48Å
208H93.9Very high78.4Confident11 Ų1147.4 Ų47.45%0.05130%0.296CS..EExtended strand (participates in β ladder)trans-86.4134.8159.7-69.5163000109.5Y69 L75 P118 V152 Q153 V155 W210Y69-H208 AromaticContact CZ-NE2 3.89Å; Y69-H208 PolarHBondContact OH-CD2 2.84Å; Y69-H208 VanDerWaalsContact OH-CD2 3.23Å; Y69-H208 PolarHBondContact OH-NE2 3.45Å; L75-H208 PolarHBondContact O-CE1 2.89Å; L75-H208 PolarHBondContact O-NE2 2.83Å; P118-H208 HydrophobicContact CB-CB 3.71Å; V152-H208 CarbonylContact C-O 3.58Å; V152-H208 VanDerWaalsContact CA-O 3.26Å; V152-H208 WeakPolarHBondContact CA-O 3.33Å; V152-H208 WeakPolarHBondContact CB-O 3.38Å; Q153-H208 HydrophobicContact CB-CB 4.32Å; Q153-H208 PolarHBondContact N-O 3.35Å; Q153-H208 PolarHBondContact O-N 2.87Å; V155-H208 HydrophobicContact CG2-CB 4.43Å; V155-H208 WeakPolarHBondContact CG2-CD2 3.41Å; V155-H208 VanDerWaalsContact CG2-NE2 3.33Å; V155-H208 WeakPolarHBondContact CG2-NE2 3.49Å; H208-W210 HydrophobicContact CB-CH2 3.64Å; H208-W210 HydrophobicContact CB-CZ2 4.16Å; H208-W210 HydrophobicContact CB-CZ3 4.02Å; H208-W210 WeakPolarHBondContact O-CZ3 3.38Å
209S91.3Very high79.2Confident5 Ų545.4 Ų45.44%0.03528%0.282CS..EExtended strand (participates in β ladder)trans-126.3149.2175.865.30000109.7P118 V119 R121P118-S209 CarbonylContact C-O 3.48Å; P118-S209 WeakPolarHBondContact CA-O 3.35Å; V119-S209 PolarHBondContact N-O 3.36Å; V119-S209 PolarHBondContact O-N 3.29Å; V119-S209 PolarHBondContact O-OG 3.02Å; R121-S209 WeakPolarHBondContact CG-OG 3.38Å; R121-S209 PolarHBondContact NE-OG 3.36Å
210W88.9Confident79.9Confident29 Ų2945.4 Ų45.411%0.1128%0.276CS..  trans-116153.6177.2-68.9-94.2000110.8S116 P118 Q153 H208 A215 P216S116-W210 VanDerWaalsContact O-CD1 3.24Å; S116-W210 PolarHBondContact O-NE1 3.47Å; P118-W210 HydrophobicContact CB-CD2 4.38Å; P118-W210 HydrophobicContact CB-CH2 4.47Å; P118-W210 HydrophobicContact CB-CZ2 3.74Å; P118-W210 HydrophobicContact CG-CZ2 4.16Å; Q153-W210 HydrophobicContact CB-CH2 3.64Å; Q153-W210 HydrophobicContact CB-CZ3 3.69Å; H208-W210 HydrophobicContact CB-CH2 3.64Å; H208-W210 HydrophobicContact CB-CZ2 4.16Å; H208-W210 HydrophobicContact CB-CZ3 4.02Å; H208-W210 WeakPolarHBondContact O-CZ3 3.38Å; W210-A215 HydrophobicContact CB-CB 3.95Å; W210-A215 HydrophobicContact CD2-CB 4.35Å; W210-A215 HydrophobicContact CE3-CB 4.3Å; W210-A215 HydrophobicContact CG-CB 4.22Å; W210-P216 HydrophobicContact CZ2-CG 4.04Å
211P82.2Confident79.8Confident60 Ų6044.8 Ų44.839%0.3929%0.286SS..  trans-53147.5165-23.233.7000110.8G213 C214P211-G213 PolarHBondContact O-N 3.21Å; P211-C214 HydrophobicContact CB-CB 4.34Å; P211-C214 PolarHBondContact O-N 3.14Å
212P76.8Confident79.9Confident136 Ų13644 Ų4488%0.88328%0.282SS*.THydrogen-bonded Turntrans-51.7127.4179.3-26.934.5000111.9C214P212-C214 VanDerWaalsContact C-N 3.31Å; P212-C214 PolarHBondContact O-N 2.94Å
213G72.3Confident80.2Confident88 Ų8845.8 Ų45.891%0.90729%0.291SS*.THydrogen-bonded Turntrans811.4-179.600000115.6P211P211-G213 PolarHBondContact O-N 3.21Å
214C74.9Confident80.4Confident54 Ų5445.8 Ų45.837%0.36529%0.291SS..  trans-1131.5-179.8-49.10000114.1S116 P211 P212S116-C214 WeakPolarHBondContact OG-CB 3.11Å; S116-C214 PolarHBondContact OG-O 3.34Å; P211-C214 HydrophobicContact CB-CB 4.34Å; P211-C214 PolarHBondContact O-N 3.14Å; P212-C214 VanDerWaalsContact C-N 3.31Å; P212-C214 PolarHBondContact O-N 2.94Å
215A71.6Confident80.5Confident23 Ų2347.7 Ų47.719%0.1930%0.3CS..SBendtrans-62.2136.7174.100000110.7W210 L220W210-A215 HydrophobicContact CB-CB 3.95Å; W210-A215 HydrophobicContact CD2-CB 4.35Å; W210-A215 HydrophobicContact CE3-CB 4.3Å; W210-A215 HydrophobicContact CG-CB 4.22Å; A215-L220 HydrophobicContact CB-CD1 4.14Å; A215-L220 HydrophobicContact CB-CD2 4.36Å; A215-L220 HydrophobicContact CB-CG 4.02Å
216P70.8Confident80.5Confident26 Ų2652.1 Ų52.117%0.16932%0.32CS..  trans-55.2142.9170.4-22.131.7000110.7W210 D218 S219 L220W210-P216 HydrophobicContact CZ2-CG 4.04Å; P216-D218 PolarHBondContact O-N 3.09Å; P216-S219 WeakPolarHBondContact CG-OG 3.27Å; P216-S219 WeakPolarHBondContact O-CB 3.49Å; P216-S219 PolarHBondContact O-N 3.15Å; P216-L220 PolarHBondContact O-N 3.44Å
217L65.1Low80.3Confident156 Ų15652.3 Ų52.382%0.81732%0.323SS*.THydrogen-bonded Turntrans-55-37.7175.7-79.7157.8000111.4S219 L220L217-S219 VanDerWaalsContact C-N 3.32Å; L217-S219 PolarHBondContact O-N 2.98Å; L217-L220 PolarHBondContact O-N 2.9Å
218D64.1Low80.1Confident82 Ų8254.8 Ų54.844%0.43934%0.344SS..G310 helixtrans-63.4-38.1177.2-56.8-18.7000111.3P216 L220 G221 C222P216-D218 PolarHBondContact O-N 3.09Å; D218-L220 VanDerWaalsContact C-N 3.34Å; D218-L220 PolarHBondContact O-N 3.41Å; D218-G221 PolarHBondContact O-N 2.85Å; D218-C222 PolarHBondContact O-SG 2.85Å
219S61.8Low80.1Confident4 Ų454.3 Ų54.33%0.02834%0.341CS..G310 helixtrans-71.8-23.5-179.5-54.30000114P216 L217 G221P216-S219 WeakPolarHBondContact CG-OG 3.27Å; P216-S219 WeakPolarHBondContact O-CB 3.49Å; P216-S219 PolarHBondContact O-N 3.15Å; L217-S219 VanDerWaalsContact C-N 3.32Å; L217-S219 PolarHBondContact O-N 2.98Å; S219-G221 VanDerWaalsContact C-N 3.27Å; S219-G221 PolarHBondContact O-N 2.9Å
220L63.6Low80.2Confident107 Ų10756.1 Ų56.156%0.5635%0.354SS*.G310 helixtrans-79.1-8.8-179.7-76.2155.4000113.2A215 P216 L217 D218A215-L220 HydrophobicContact CB-CD1 4.14Å; A215-L220 HydrophobicContact CB-CD2 4.36Å; A215-L220 HydrophobicContact CB-CG 4.02Å; P216-L220 PolarHBondContact O-N 3.44Å; L217-L220 PolarHBondContact O-N 2.9Å; D218-L220 VanDerWaalsContact C-N 3.34Å; D218-L220 PolarHBondContact O-N 3.41Å
221G66.1Low80.4Confident55 Ų5554.9 Ų54.957%0.56735%0.35SS*.SBendtrans-1243.8-178.200000115.3D218 S219 Q223D218-G221 PolarHBondContact O-N 2.85Å; S219-G221 VanDerWaalsContact C-N 3.27Å; S219-G221 PolarHBondContact O-N 2.9Å; G221-Q223 PolarHBondContact O-N 2.9Å
222C79.7Confident81Confident8 Ų859.9 Ų59.95%0.05436%0.361CS..  trans-61.7126.6-176.9-65.10000111.7D218 Y224 E287D218-C222 PolarHBondContact O-SG 2.85Å; C222-Y224 HydrophobicContact CB-CE2 3.93Å; C222-E287 HydrophobicContact CB-CG 4.25Å; C222-E287 PolarHBondContact SG-OE1 2.76Å
223Q90.8Very high81.7Confident109 Ų10953.6 Ų53.651%0.50932%0.32SS..EExtended strand (participates in β ladder)trans-109.7142.2166.9-67.7-172.30.900109.7G221 E288G221-Q223 PolarHBondContact O-N 2.9Å; Q223-E288 HydrophobicContact CB-CB 4.43Å; Q223-E288 PolarHBondContact N-O 3.46Å; Q223-E288 WeakPolarHBondContact O-CB 3.29Å; Q223-E288 PolarHBondContact O-N 2.77Å
224Y94.6Very high82.6Confident1 Ų151.4 Ų51.40%0.00429%0.291CS..EExtended strand (participates in β ladder)trans-111.4136.4-179.6-61.7-93.6000110.2I141 V144 N145 A148 Q153 F154 C222 V262 V285 Y286 E287I141-Y224 VanDerWaalsContact CG2-O 3.31Å; I141-Y224 WeakPolarHBondContact CG2-O 3.44Å; V144-Y224 HydrophobicContact CG1-CD1 4.03Å; V144-Y224 HydrophobicContact CG1-CD2 3.58Å; V144-Y224 HydrophobicContact CG1-CE1 4.49Å; V144-Y224 HydrophobicContact CG1-CE2 4.11Å; V144-Y224 HydrophobicContact CG1-CG 3.54Å; N145-Y224 PolarHBondContact ND2-O 2.87Å; N145-Y224 PolarHBondContact OD1-N 3.35Å; A148-Y224 HydrophobicContact CB-CD2 4.09Å; A148-Y224 HydrophobicContact CB-CE2 3.68Å; Q153-Y224 WeakPolarHBondContact CG-OH 3.34Å; F154-Y224 HydrophobicContact CB-CD1 4.31Å; F154-Y224 HydrophobicContact CB-CE1 3.64Å; F154-Y224 HydrophobicContact CB-CE2 4.31Å; F154-Y224 HydrophobicContact CD1-CD1 4.24Å; F154-Y224 HydrophobicContact CD1-CE1 4.02Å; F154-Y224 HydrophobicContact CG-CE1 4.29Å; F154-Y224 PolarHBondContact N-OH 2.8Å; C222-Y224 HydrophobicContact CB-CE2 3.93Å; Y224-V262 HydrophobicContact CD1-CG2 4.25Å; Y224-V262 HydrophobicContact CE1-CG2 4.28Å; Y224-V285 HydrophobicContact CD1-CG1 4.18Å; Y224-Y286 CarbonylContact C-O 3.57Å; Y224-Y286 WeakPolarHBondContact CA-O 3.33Å; Y224-E287 HydrophobicContact CD1-CB 4.06Å; Y224-E287 HydrophobicContact CD1-CG 4.29Å; Y224-E287 HydrophobicContact CE1-CB 3.81Å; Y224-E287 HydrophobicContact CE1-CG 3.71Å
225H94.9Very high83.3Confident43 Ų4353.2 Ų53.220%0.19929%0.29CS..EExtended strand (participates in β ladder)trans-126.1142.8-174.6-59.9-79.9000110.4W259 Y286 E288H225-W259 HydrophobicContact CB-CD2 4.46Å; H225-W259 HydrophobicContact CB-CE3 3.8Å; H225-W259 HydrophobicContact CB-CH2 3.91Å; H225-W259 HydrophobicContact CB-CZ3 3.5Å; H225-W259 VanDerWaalsContact CB-CZ3 3.5Å; H225-W259 AromaticContact CD2-CD2 3.83Å; H225-W259 AromaticContact CD2-CE2 3.64Å; H225-W259 AromaticContact CD2-CH2 3.96Å; H225-W259 AromaticContact CD2-CZ2 3.72Å; H225-W259 AromaticContact CE1-CZ2 3.91Å; H225-W259 AromaticContact CG-CH2 3.61Å; H225-W259 AromaticContact CG-CZ2 3.84Å; H225-W259 AromaticContact CG-CZ3 3.7Å; H225-W259 AromaticContact ND1-CH2 3.77Å; H225-W259 AromaticContact ND1-CZ2 3.97Å; H225-W259 AromaticContact NE2-CE2 3.87Å; H225-W259 AromaticContact NE2-CZ2 3.76Å; H225-Y286 PolarHBondContact N-O 2.77Å; H225-Y286 PolarHBondContact O-N 2.89Å; H225-E288 IonicContact CD2-OE2 2.77Å; H225-E288 IonicContact CE1-OE2 3.99Å; H225-E288 IonicContact NE2-OE2 3.78Å; H225-E288 PolarHBondContact NE2-OE2 2.85Å
226Q94.8Very high84Confident94 Ų9460 Ų6044%0.43932%0.315SS..EExtended strand (participates in β ladder)trans-74.6142.4169.161.8-17933.200110.9V137 I141 L283V137-Q226 HydrophobicContact CG1-CB 4.06Å; I141-Q226 HydrophobicContact CG1-CB 4.13Å; Q226-L283 HydrophobicContact CB-CD1 3.7Å
227G93.4Very high84.5Confident5 Ų561.5 Ų61.55%0.05234%0.336CS..EExtended strand (participates in β ladder)trans-132.6151.7161.900000111.9Y254 F284G227-Y254 VanDerWaalsContact CA-OH 3.28Å; G227-Y254 WeakPolarHBondContact CA-OH 3.39Å; G227-F284 PolarHBondContact N-O 3.34Å; G227-F284 PolarHBondContact O-N 3.06Å
228A90.8Very high85.2Confident55 Ų5559.9 Ų59.946%0.45532%0.324SS..EExtended strand (participates in β ladder)trans-78.3132.5-178.300000110.4Y254A228-Y254 PolarHBondContact N-OH 3.35Å
229L94Very high86.1Confident0 Ų060.1 Ų60.10%033%0.328CS..EExtended strand (participates in β ladder)trans-113.4106167.6166.655.3000107.7M231 W247 L250 V266 E281 G282 F284 L334L229-M231 HydrophobicContact CD1-CG 3.52Å; L229-M231 HydrophobicContact CD1-SD 3.72Å; L229-M231 HydrophobicContact CD2-SD 4.3Å; L229-M231 HydrophobicContact CG-CG 4.12Å; L229-M231 HydrophobicContact CG-SD 4.15Å; L229-W247 HydrophobicContact CD1-CZ3 4Å; L229-L250 HydrophobicContact CD1-CD1 4.17Å; L229-V266 HydrophobicContact CD2-CG2 3.57Å; L229-E281 CarbonylContact O-C 3.58Å; L229-E281 WeakPolarHBondContact O-CA 3.22Å; L229-G282 PolarHBondContact N-O 2.66Å; L229-G282 VanDerWaalsContact N-O 3.14Å; L229-G282 PolarHBondContact O-N 3.03Å; L229-F284 HydrophobicContact CB-CD1 4.39Å; L229-F284 HydrophobicContact CB-CD2 3.87Å; L229-F284 HydrophobicContact CB-CE1 4.43Å; L229-F284 HydrophobicContact CB-CE2 3.93Å; L229-F284 HydrophobicContact CB-CG 4.13Å; L229-F284 HydrophobicContact CB-CZ 4.22Å; L229-F284 HydrophobicContact CD1-CE1 4.28Å; L229-F284 HydrophobicContact CD1-CE2 3.73Å; L229-F284 HydrophobicContact CD1-CZ 3.59Å; L229-F284 HydrophobicContact CD2-CD1 4.24Å; L229-F284 HydrophobicContact CD2-CE1 3.82Å; L229-F284 HydrophobicContact CD2-CZ 4.01Å; L229-F284 HydrophobicContact CG-CE1 4.4Å; L229-F284 HydrophobicContact CG-CE2 4.27Å; L229-F284 HydrophobicContact CG-CZ 4.14Å; L229-L334 HydrophobicContact CD2-CD1 4.41Å; L229-L334 HydrophobicContact CD2-CD2 4.16Å
230S92.5Very high87.3Confident44 Ų4460.2 Ų60.231%0.30833%0.328SS..EExtended strand (participates in β ladder)trans-112.9131.9175.4-1710000109.6E281S230-E281 WeakPolarHBondContact CB-OE1 3.37Å; S230-E281 WeakPolarHBondContact CB-OE2 3.33Å; S230-E281 PolarHBondContact OG-OE1 3.08Å
231M94.2Very high88.5Confident3 Ų356.9 Ų56.92%0.01531%0.313CS..EExtended strand (participates in β ladder)trans-138.9146.5-177.2-48.8179.3-63.100111.2L229 L243 A245 W247 V266 W268 S279 L280 L334L229-M231 HydrophobicContact CD1-CG 3.52Å; L229-M231 HydrophobicContact CD1-SD 3.72Å; L229-M231 HydrophobicContact CD2-SD 4.3Å; L229-M231 HydrophobicContact CG-CG 4.12Å; L229-M231 HydrophobicContact CG-SD 4.15Å; M231-L243 HydrophobicContact CB-CD1 3.6Å; M231-L243 HydrophobicContact CB-CG 4.31Å; M231-L243 HydrophobicContact CE-CD1 3.76Å; M231-L243 HydrophobicContact CE-CD2 4.16Å; M231-L243 HydrophobicContact CE-CG 4.46Å; M231-L243 HydrophobicContact CG-CD1 4.27Å; M231-L243 HydrophobicContact SD-CD1 3.76Å; M231-L243 HydrophobicContact SD-CD2 3.63Å; M231-L243 HydrophobicContact SD-CG 3.92Å; M231-A245 HydrophobicContact CB-CB 4.31Å; M231-A245 HydrophobicContact CG-CB 3.99Å; M231-W247 HydrophobicContact CG-CH2 4.19Å; M231-W247 HydrophobicContact CG-CZ3 4.25Å; M231-W247 HydrophobicContact SD-CH2 3.54Å; M231-W247 VanDerWaalsContact SD-CH2 3.54Å; M231-W247 HydrophobicContact SD-CZ3 3.79Å; M231-V266 HydrophobicContact CE-CG1 4.35Å; M231-V266 HydrophobicContact CE-CG2 4.39Å; M231-W268 HydrophobicContact CE-CH2 3.59Å; M231-W268 HydrophobicContact CE-CZ2 3.98Å; M231-W268 HydrophobicContact CE-CZ3 4.35Å; M231-S279 WeakPolarHBondContact O-CA 3.47Å; M231-L280 HydrophobicContact CE-CD2 4.15Å; M231-L280 PolarHBondContact N-O 2.84Å; M231-L280 PolarHBondContact O-N 3.21Å; M231-L334 HydrophobicContact SD-CD2 3.98Å
232R93.9Very high89.6Confident164 Ų16455.8 Ų55.862%0.61930%0.298SS*.EExtended strand (participates in β ladder)trans-90.2129.9170.3-177.7-178.3-61.1-157.12.2109.9L243 E244 R278R232-L243 WeakPolarHBondContact O-CA 3.35Å; R232-E244 HydrophobicContact CB-CB 4.26Å; R232-E244 PolarHBondContact N-O 2.82Å; R232-E244 PolarHBondContact O-N 2.86Å; R232-R278 WeakPolarHBondContact CA-O 3.43Å
233V92.7Very high90.2Very high4 Ų455.9 Ų55.92%0.02430%0.298CS..EExtended strand (participates in β ladder)trans-109.9121.5-179-175.50000109.6V240 L243 V276 P277 R278 L280V233-V240 HydrophobicContact CG1-CB 4.41Å; V233-V240 HydrophobicContact CG1-CG1 3.7Å; V233-V240 HydrophobicContact CG1-CG2 3.95Å; V233-L243 HydrophobicContact CG2-CD1 4.04Å; V233-V276 HydrophobicContact CG1-CG1 4.18Å; V233-V276 HydrophobicContact CG2-CG1 4.43Å; V233-P277 WeakPolarHBondContact CB-O 3.44Å; V233-R278 PolarHBondContact N-O 3.12Å; V233-L280 HydrophobicContact CG2-CB 3.73Å; V233-L280 HydrophobicContact CG2-CD2 4.42Å
234S91.3Very high90.3Very high43 Ų4355.6 Ų55.630%0.30130%0.297SS..EExtended strand (participates in β ladder)trans-98.9132.2171-73.10000109.5T241 A242S234-T241 PolarHBondContact O-N 2.8Å; S234-T241 PolarHBondContact O-OG1 3.22Å; S234-A242 PolarHBondContact N-O 2.8Å; S234-A242 PolarHBondContact O-N 3.43Å
235R88Confident90.2Very high92 Ų9256.8 Ų56.835%0.34731%0.307SS..EExtended strand (participates in β ladder)trans-134.6146.5-174.869.5-174-171.4-165.37.9113V239 P275 V276R235-V239 CarbonylContact C-O 3.58Å; R235-V239 VanDerWaalsContact CA-O 3.24Å; R235-V239 WeakPolarHBondContact CA-O 3.31Å; R235-V239 WeakPolarHBondContact CB-O 3.2Å; R235-P275 VanDerWaalsContact CZ-CB 3.5Å; R235-P275 VanDerWaalsContact CZ-CG 3.44Å; R235-P275 VanDerWaalsContact NH1-CB 3.27Å; R235-P275 VanDerWaalsContact NH1-CG 3.34Å; R235-P275 PolarHBondContact NH1-O 3.1Å; R235-V276 PolarHBondContact NH1-O 3.4Å
236K86Confident90.1Very high165 Ų16559.1 Ų59.172%0.71732%0.321SS*.EExtended strand (participates in β ladder)trans-113.598.8166.6-69.6-178.8-171.4169.70108.2Q238 V239 T241K236-Q238 PolarHBondContact O-N 3.02Å; K236-V239 PolarHBondContact N-O 3.13Å; K236-V239 PolarHBondContact O-N 3.39Å; K236-T241 HydrophobicContact CB-CG2 3.9Å; K236-T241 HydrophobicContact CD-CG2 3.95Å; K236-T241 HydrophobicContact CG-CG2 3.77Å
237G83.2Confident90Very high58 Ų5854.8 Ų54.860%0.59830%0.3SS*.THydrogen-bonded Turntrans67.1-120.5-170.400000111.2
238Q78.4Confident89.9Confident122 Ų12256 Ų5657%0.5731%0.306SS*.THydrogen-bonded Turntrans-90-9.9178.1-64.7-64.6-23.700113.3K236K236-Q238 PolarHBondContact O-N 3.02Å
239V82.5Confident89.9Confident86 Ų8660.1 Ų60.152%0.52132%0.316SS..EExtended strand (participates in β ladder)trans-92.2127-175.5-177.30000110.1R235 K236R235-V239 CarbonylContact C-O 3.58Å; R235-V239 VanDerWaalsContact CA-O 3.24Å; R235-V239 WeakPolarHBondContact CA-O 3.31Å; R235-V239 WeakPolarHBondContact CB-O 3.2Å; K236-V239 PolarHBondContact N-O 3.13Å; K236-V239 PolarHBondContact O-N 3.39Å
240V87.8Confident89.8Confident6 Ų662.1 Ų62.14%0.03633%0.326CS..EExtended strand (participates in β ladder)trans-75.1122.7171.11790000108.8L85 V233 V276 P337 I338L85-V240 HydrophobicContact CD1-CG2 4.42Å; V233-V240 HydrophobicContact CG1-CB 4.41Å; V233-V240 HydrophobicContact CG1-CG1 3.7Å; V233-V240 HydrophobicContact CG1-CG2 3.95Å; V240-V276 HydrophobicContact CG2-CB 4.2Å; V240-V276 HydrophobicContact CG2-CG2 4.07Å; V240-P337 HydrophobicContact CB-CG 4.06Å; V240-P337 HydrophobicContact CG1-CG 4.15Å; V240-P337 HydrophobicContact CG2-CG 4.1Å; V240-I338 HydrophobicContact CG1-CG1 4.04Å
241T88.1Confident89.7Confident38 Ų3860 Ų6023%0.23331%0.311CS..EExtended strand (participates in β ladder)trans-110.4-26.9-17455.80000114S234 K236S234-T241 PolarHBondContact O-N 2.8Å; S234-T241 PolarHBondContact O-OG1 3.22Å; K236-T241 HydrophobicContact CB-CG2 3.9Å; K236-T241 HydrophobicContact CD-CG2 3.95Å; K236-T241 HydrophobicContact CG-CG2 3.77Å
242A90.2Very high89.4Confident32 Ų3261.4 Ų61.426%0.26432%0.323SS..EExtended strand (participates in β ladder)trans-152.3155.9174.400000111S234S234-A242 PolarHBondContact N-O 2.8Å; S234-A242 PolarHBondContact O-N 3.43Å
243L92.6Very high89.1Confident9 Ų955.4 Ų55.45%0.04731%0.308CS..EExtended strand (participates in β ladder)trans-133.1127.9179.1-17569.6000107.6M231 R232 V233 W247 W268 T336 I338M231-L243 HydrophobicContact CB-CD1 3.6Å; M231-L243 HydrophobicContact CB-CG 4.31Å; M231-L243 HydrophobicContact CE-CD1 3.76Å; M231-L243 HydrophobicContact CE-CD2 4.16Å; M231-L243 HydrophobicContact CE-CG 4.46Å; M231-L243 HydrophobicContact CG-CD1 4.27Å; M231-L243 HydrophobicContact SD-CD1 3.76Å; M231-L243 HydrophobicContact SD-CD2 3.63Å; M231-L243 HydrophobicContact SD-CG 3.92Å; R232-L243 WeakPolarHBondContact O-CA 3.35Å; V233-L243 HydrophobicContact CG2-CD1 4.04Å; L243-W247 HydrophobicContact CD2-CH2 3.89Å; L243-W247 HydrophobicContact CD2-CZ2 4.27Å; L243-W247 HydrophobicContact CG-CH2 4.28Å; L243-W247 HydrophobicContact CG-CZ2 4.46Å; L243-W268 HydrophobicContact CD1-CH2 4.06Å; L243-W268 HydrophobicContact CD1-CZ3 4.45Å; L243-W268 HydrophobicContact CD2-CH2 3.98Å; L243-T336 HydrophobicContact CD2-CG2 3.79Å; L243-I338 HydrophobicContact CB-CD1 3.83Å
244E91.8Very high88.9Confident104 Ų10457.4 Ų57.449%0.48632%0.316SS..EExtended strand (participates in β ladder)trans-128.7129-177.4-68168.9-165.500109.7R232R232-E244 HydrophobicContact CB-CB 4.26Å; R232-E244 PolarHBondContact N-O 2.82Å; R232-E244 PolarHBondContact O-N 2.86Å
245A92.9Very high88.8Confident26 Ų2655.5 Ų55.522%0.21530%0.302CS..  trans-154.5151.6171.900000109.2M231 W247 L250M231-A245 HydrophobicContact CB-CB 4.31Å; M231-A245 HydrophobicContact CG-CB 3.99Å; A245-W247 VanDerWaalsContact C-N 3.32Å; A245-W247 HydrophobicContact CB-CD2 3.95Å; A245-W247 HydrophobicContact CB-CE3 3.81Å; A245-W247 HydrophobicContact CB-CH2 3.79Å; A245-W247 HydrophobicContact CB-CZ2 3.91Å; A245-W247 HydrophobicContact CB-CZ3 3.74Å; A245-W247 PolarHBondContact O-N 3.23Å; A245-W247 VanDerWaalsContact O-N 3.12Å; A245-L250 HydrophobicContact CB-CD1 3.92Å
246D92.3Very high88.6Confident91 Ų9158.7 Ų58.749%0.48731%0.314SS..  trans-82.784.6167.6-165.6-34.8000108.9L248 E249 L250D246-L248 PolarHBondContact O-N 3.43Å; D246-L248 PolarHBondContact OD1-N 3Å; D246-E249 HydrophobicContact CB-CB 3.86Å; D246-E249 PolarHBondContact O-N 2.95Å; D246-E249 WeakPolarHBondContact OD1-CB 3.4Å; D246-E249 PolarHBondContact OD1-N 2.83Å; D246-L250 WeakPolarHBondContact O-CB 3.47Å; D246-L250 VanDerWaalsContact O-CG 3.24Å; D246-L250 WeakPolarHBondContact O-CG 3.4Å; D246-L250 PolarHBondContact O-N 3.4Å
247W93.1Very high88.6Confident3 Ų356.3 Ų56.31%0.01130%0.304CS..Hα-helixtrans-59.1-35.2-174.6-51113.7000113.1Y20 L229 M231 L243 A245 T251 V300 E302 L334 V352 F354Y20-W247 AromaticContact CD2-CD1 3.89Å; Y20-W247 AromaticContact CE2-CD1 3.69Å; L229-W247 HydrophobicContact CD1-CZ3 4Å; M231-W247 HydrophobicContact CG-CH2 4.19Å; M231-W247 HydrophobicContact CG-CZ3 4.25Å; M231-W247 HydrophobicContact SD-CH2 3.54Å; M231-W247 VanDerWaalsContact SD-CH2 3.54Å; M231-W247 HydrophobicContact SD-CZ3 3.79Å; L243-W247 HydrophobicContact CD2-CH2 3.89Å; L243-W247 HydrophobicContact CD2-CZ2 4.27Å; L243-W247 HydrophobicContact CG-CH2 4.28Å; L243-W247 HydrophobicContact CG-CZ2 4.46Å; A245-W247 VanDerWaalsContact C-N 3.32Å; A245-W247 HydrophobicContact CB-CD2 3.95Å; A245-W247 HydrophobicContact CB-CE3 3.81Å; A245-W247 HydrophobicContact CB-CH2 3.79Å; A245-W247 HydrophobicContact CB-CZ2 3.91Å; A245-W247 HydrophobicContact CB-CZ3 3.74Å; A245-W247 PolarHBondContact O-N 3.23Å; A245-W247 VanDerWaalsContact O-N 3.12Å; W247-T251 WeakPolarHBondContact O-CG2 3.22Å; W247-T251 PolarHBondContact O-N 3.39Å; W247-T251 PolarHBondContact O-OG1 2.83Å; W247-V300 HydrophobicContact CB-CB 4.14Å; W247-V300 HydrophobicContact CB-CG1 3.74Å; W247-V300 HydrophobicContact CB-CG2 4.02Å; W247-V300 HydrophobicContact CG-CG1 3.88Å; W247-E302 PolarHBondContact NE1-OE1 3.08Å; W247-L334 HydrophobicContact CH2-CD2 4.03Å; W247-L334 HydrophobicContact CZ3-CD2 3.9Å; W247-V352 HydrophobicContact CD2-CG1 4.12Å; W247-V352 HydrophobicContact CE3-CG1 4.42Å; W247-V352 HydrophobicContact CG-CG1 4.5Å; W247-V352 HydrophobicContact CH2-CG2 4.06Å; W247-V352 HydrophobicContact CZ2-CG1 4.4Å; W247-V352 HydrophobicContact CZ2-CG2 3.82Å; W247-F354 HydrophobicContact CB-CE1 4.36Å; W247-F354 AromaticContact CE3-CZ 3.96Å; W247-F354 HydrophobicContact CE3-CZ 3.96Å
248L91.8Very high88.6Confident32 Ų3254.1 Ų54.117%0.16828%0.282CS..Hα-helixtrans-74.5-45179.8-65.3-176000110.4T22 D246 T251 A252 T298 V300T22-L248 HydrophobicContact CG2-CD1 4.48Å; T22-L248 HydrophobicContact CG2-CD2 4.38Å; D246-L248 PolarHBondContact O-N 3.43Å; D246-L248 PolarHBondContact OD1-N 3Å; L248-T251 PolarHBondContact O-N 3.01Å; L248-T251 PolarHBondContact O-OG1 3.47Å; L248-A252 WeakPolarHBondContact O-CA 3.19Å; L248-A252 WeakPolarHBondContact O-CB 3.49Å; L248-A252 PolarHBondContact O-N 2.78Å; L248-T298 HydrophobicContact CD2-CG2 3.71Å; L248-V300 HydrophobicContact CD2-CG2 3.88Å
249E91.5Very high89.1Confident141 Ų14150 Ų5066%0.65926%0.261SS*.Hα-helixtrans-63.4-44.7178.2-172.1176.6-165.500111.9D246 T251 A252D246-E249 HydrophobicContact CB-CB 3.86Å; D246-E249 PolarHBondContact O-N 2.95Å; D246-E249 WeakPolarHBondContact OD1-CB 3.4Å; D246-E249 PolarHBondContact OD1-N 2.83Å; E249-T251 PolarHBondContact O-N 2.88Å; E249-A252 PolarHBondContact O-N 3.21Å
250L90.7Very high89.4Confident41 Ų4147.2 Ų47.222%0.21525%0.246CC..Hα-helixtrans-57.2-34.7178.8-76173.4000112.7L229 A245 D246 Y254 F284L229-L250 HydrophobicContact CD1-CD1 4.17Å; A245-L250 HydrophobicContact CB-CD1 3.92Å; D246-L250 WeakPolarHBondContact O-CB 3.47Å; D246-L250 VanDerWaalsContact O-CG 3.24Å; D246-L250 WeakPolarHBondContact O-CG 3.4Å; D246-L250 PolarHBondContact O-N 3.4Å; L250-Y254 WeakPolarHBondContact O-CD2 3.41Å; L250-Y254 WeakPolarHBondContact O-CE2 3.38Å; L250-F284 HydrophobicContact CB-CE2 4.49Å
251T91.1Very high89.7Confident0 Ų047 Ų470%024%0.244CC..Hα-helixtrans-97.4-24.3-17658.60000112.9W247 L248 E249 A253 Y254 Y255 F284 F354W247-T251 WeakPolarHBondContact O-CG2 3.22Å; W247-T251 PolarHBondContact O-N 3.39Å; W247-T251 PolarHBondContact O-OG1 2.83Å; L248-T251 PolarHBondContact O-N 3.01Å; L248-T251 PolarHBondContact O-OG1 3.47Å; E249-T251 PolarHBondContact O-N 2.88Å; T251-A253 VanDerWaalsContact C-N 3.34Å; T251-A253 PolarHBondContact O-N 3.36Å; T251-Y254 PolarHBondContact O-N 2.94Å; T251-Y255 HydrophobicContact CG2-CE2 4.25Å; T251-Y255 PolarHBondContact O-N 2.92Å; T251-Y255 VanDerWaalsContact OG1-CE2 3.29Å; T251-Y255 WeakPolarHBondContact OG1-CE2 3.11Å; T251-F284 HydrophobicContact CG2-CE2 4.21Å; T251-F354 HydrophobicContact CG2-CD1 4.49Å; T251-F354 HydrophobicContact CG2-CE1 4.21Å
252A88.3Confident90Very high32 Ų3245.9 Ų45.926%0.26424%0.237SC..Hα-helixtrans-59.4-37.6-172.900000114.1L248 E249 Y254 R256L248-A252 WeakPolarHBondContact O-CA 3.19Å; L248-A252 WeakPolarHBondContact O-CB 3.49Å; L248-A252 PolarHBondContact O-N 2.78Å; E249-A252 PolarHBondContact O-N 3.21Å; A252-Y254 VanDerWaalsContact C-N 3.31Å; A252-Y254 PolarHBondContact O-N 3.03Å; A252-R256 WeakPolarHBondContact O-CB 3.03Å; A252-R256 VanDerWaalsContact O-CG 3.28Å; A252-R256 WeakPolarHBondContact O-CG 3.49Å; A252-R256 PolarHBondContact O-N 3Å; A252-R256 PolarHBondContact O-NE 3.26Å
253A87.7Confident90.3Very high38 Ų3845 Ų4531%0.31423%0.228SC..Hα-helixtrans-66.3-34.8178.700000112.5T251 K257T251-A253 VanDerWaalsContact C-N 3.34Å; T251-A253 PolarHBondContact O-N 3.36Å; A253-K257 WeakPolarHBondContact O-CG 3.18Å
254Y88.9Confident90.4Very high47 Ų4745 Ų4518%0.18423%0.229CC..Hα-helixtrans-80.4-41-179.6-59.8-76.9000111.5G227 A228 L250 T251 A252 R256 K257 G258 W259 Y286G227-Y254 VanDerWaalsContact CA-OH 3.28Å; G227-Y254 WeakPolarHBondContact CA-OH 3.39Å; A228-Y254 PolarHBondContact N-OH 3.35Å; L250-Y254 WeakPolarHBondContact O-CD2 3.41Å; L250-Y254 WeakPolarHBondContact O-CE2 3.38Å; T251-Y254 PolarHBondContact O-N 2.94Å; A252-Y254 VanDerWaalsContact C-N 3.31Å; A252-Y254 PolarHBondContact O-N 3.03Å; Y254-R256 VanDerWaalsContact C-N 3.3Å; Y254-R256 PolarHBondContact O-N 3.21Å; Y254-K257 WeakPolarHBondContact O-CB 3.37Å; Y254-K257 PolarHBondContact O-N 3.01Å; Y254-G258 PolarHBondContact O-N 3.16Å; Y254-W259 AromaticContact CD1-CE3 3.58Å; Y254-W259 HydrophobicContact CD1-CE3 3.58Å; Y254-W259 AromaticContact CD1-CZ3 3.62Å; Y254-W259 HydrophobicContact CD1-CZ3 3.62Å; Y254-W259 HydrophobicContact CE1-CE3 4.42Å; Y254-W259 HydrophobicContact CE1-CZ3 4.05Å; Y254-W259 HydrophobicContact CG-CE3 4.43Å; Y254-W259 PolarHBondContact O-N 2.87Å; Y254-Y286 VanDerWaalsContact CB-CE1 3.44Å; Y254-Y286 HydrophobicContact CD1-CD2 4.15Å; Y254-Y286 HydrophobicContact CD1-CE2 4.09Å; Y254-Y286 HydrophobicContact CD2-CD2 4.5Å; Y254-Y286 HydrophobicContact CD2-CE1 4.21Å; Y254-Y286 AromaticContact CD2-CE2 3.67Å; Y254-Y286 HydrophobicContact CD2-CE2 3.67Å; Y254-Y286 AromaticContact CD2-CZ 3.49Å; Y254-Y286 VanDerWaalsContact CD2-CZ 3.49Å; Y254-Y286 WeakPolarHBondContact CD2-OH 3.24Å; Y254-Y286 HydrophobicContact CE1-CE2 4.42Å; Y254-Y286 HydrophobicContact CE2-CE2 4.05Å; Y254-Y286 HydrophobicContact CG-CD1 4.33Å; Y254-Y286 HydrophobicContact CG-CD2 4.09Å; Y254-Y286 AromaticContact CG-CE1 3.95Å; Y254-Y286 HydrophobicContact CG-CE1 3.95Å; Y254-Y286 AromaticContact CG-CE2 3.68Å; Y254-Y286 HydrophobicContact CG-CE2 3.68Å; Y254-Y286 HydrophobicContact CG-CG 4.39Å; Y254-Y286 AromaticContact CG-CZ 3.61Å
255Y87.9Confident90.3Very high3 Ų340.6 Ų40.61%0.01221%0.208CC..Hα-helixtrans-61.1-40.7174.7-63.5-14.1000111.4T251 K257 G258 W259 L261 Y286 N296 T298 Q356T251-Y255 HydrophobicContact CG2-CE2 4.25Å; T251-Y255 PolarHBondContact O-N 2.92Å; T251-Y255 VanDerWaalsContact OG1-CE2 3.29Å; T251-Y255 WeakPolarHBondContact OG1-CE2 3.11Å; Y255-K257 PolarHBondContact O-N 2.96Å; Y255-K257 VanDerWaalsContact O-N 3.13Å; Y255-G258 WeakPolarHBondContact O-CA 3.35Å; Y255-G258 PolarHBondContact O-N 3Å; Y255-W259 WeakPolarHBondContact CD1-O 3.5Å; Y255-L261 HydrophobicContact CE1-CB 4.01Å; Y255-L261 WeakPolarHBondContact OH-CB 3.2Å; Y255-Y286 HydrophobicContact CD1-CE1 4.15Å; Y255-Y286 HydrophobicContact CE1-CD1 4.32Å; Y255-Y286 AromaticContact CE1-CE1 3.73Å; Y255-Y286 HydrophobicContact CE1-CE1 3.73Å; Y255-N296 PolarHBondContact O-OD1 3.08Å; Y255-T298 HydrophobicContact CD2-CG2 3.92Å; Y255-T298 HydrophobicContact CE2-CG2 3.9Å; Y255-T298 WeakPolarHBondContact CE2-OG1 3.33Å; Y255-Q356 VanDerWaalsContact CE1-CD 3.43Å; Y255-Q356 VanDerWaalsContact CZ-CD 3.46Å
256R84.4Confident90.2Very high158 Ų15839.8 Ų39.860%0.59620%0.201SC*.THydrogen-bonded Turntrans-58.2-25.8173.8-82.1-176.5-65.8148.7-7.1114.3A252 Y254 G258 N296A252-R256 WeakPolarHBondContact O-CB 3.03Å; A252-R256 VanDerWaalsContact O-CG 3.28Å; A252-R256 WeakPolarHBondContact O-CG 3.49Å; A252-R256 PolarHBondContact O-N 3Å; A252-R256 PolarHBondContact O-NE 3.26Å; Y254-R256 VanDerWaalsContact C-N 3.3Å; Y254-R256 PolarHBondContact O-N 3.21Å; R256-G258 VanDerWaalsContact C-N 3.29Å; R256-N296 WeakPolarHBondContact CA-OD1 3.38Å; R256-N296 VanDerWaalsContact CG-ND2 3.29Å; R256-N296 WeakPolarHBondContact CG-ND2 3.44Å; R256-N296 PolarHBondContact N-OD1 2.98Å; R256-N296 VanDerWaalsContact N-OD1 3.08Å
257K84.9Confident89.8Confident115 Ų11536.9 Ų36.950%0.518%0.183SC..THydrogen-bonded Turntrans-83.6-7174.2-65.8177.1-179.7-178.40113.2A253 Y254 Y255 W259A253-K257 WeakPolarHBondContact O-CG 3.18Å; Y254-K257 WeakPolarHBondContact O-CB 3.37Å; Y254-K257 PolarHBondContact O-N 3.01Å; Y255-K257 PolarHBondContact O-N 2.96Å; Y255-K257 VanDerWaalsContact O-N 3.13Å; K257-W259 HydrophobicContact CB-CD2 4.16Å; K257-W259 HydrophobicContact CB-CG 4.26Å; K257-W259 HydrophobicContact CD-CD2 4.4Å; K257-W259 HydrophobicContact CD-CE3 4.43Å; K257-W259 HydrophobicContact CD-CH2 3.98Å; K257-W259 HydrophobicContact CD-CZ2 3.94Å; K257-W259 HydrophobicContact CD-CZ3 4.23Å
258G83.3Confident89.2Confident13 Ų1337.5 Ų37.513%0.13419%0.185CC..THydrogen-bonded Turntrans86.516.2-176.600000115.7Y254 Y255 R256 P294Y254-G258 PolarHBondContact O-N 3.16Å; Y255-G258 WeakPolarHBondContact O-CA 3.35Å; Y255-G258 PolarHBondContact O-N 3Å; R256-G258 VanDerWaalsContact C-N 3.29Å; G258-P294 VanDerWaalsContact CA-CG 3.45Å
259W88.7Confident88.4Confident34 Ų3437.9 Ų37.913%0.12919%0.187CC..EExtended strand (participates in β ladder)trans-88.6141177.2-51.9-15.9000110.3H225 Y254 Y255 K257 Y286 E287 E288H225-W259 HydrophobicContact CB-CD2 4.46Å; H225-W259 HydrophobicContact CB-CE3 3.8Å; H225-W259 HydrophobicContact CB-CH2 3.91Å; H225-W259 HydrophobicContact CB-CZ3 3.5Å; H225-W259 VanDerWaalsContact CB-CZ3 3.5Å; H225-W259 AromaticContact CD2-CD2 3.83Å; H225-W259 AromaticContact CD2-CE2 3.64Å; H225-W259 AromaticContact CD2-CH2 3.96Å; H225-W259 AromaticContact CD2-CZ2 3.72Å; H225-W259 AromaticContact CE1-CZ2 3.91Å; H225-W259 AromaticContact CG-CH2 3.61Å; H225-W259 AromaticContact CG-CZ2 3.84Å; H225-W259 AromaticContact CG-CZ3 3.7Å; H225-W259 AromaticContact ND1-CH2 3.77Å; H225-W259 AromaticContact ND1-CZ2 3.97Å; H225-W259 AromaticContact NE2-CE2 3.87Å; H225-W259 AromaticContact NE2-CZ2 3.76Å; Y254-W259 AromaticContact CD1-CE3 3.58Å; Y254-W259 HydrophobicContact CD1-CE3 3.58Å; Y254-W259 AromaticContact CD1-CZ3 3.62Å; Y254-W259 HydrophobicContact CD1-CZ3 3.62Å; Y254-W259 HydrophobicContact CE1-CE3 4.42Å; Y254-W259 HydrophobicContact CE1-CZ3 4.05Å; Y254-W259 HydrophobicContact CG-CE3 4.43Å; Y254-W259 PolarHBondContact O-N 2.87Å; Y255-W259 WeakPolarHBondContact CD1-O 3.5Å; K257-W259 HydrophobicContact CB-CD2 4.16Å; K257-W259 HydrophobicContact CB-CG 4.26Å; K257-W259 HydrophobicContact CD-CD2 4.4Å; K257-W259 HydrophobicContact CD-CE3 4.43Å; K257-W259 HydrophobicContact CD-CH2 3.98Å; K257-W259 HydrophobicContact CD-CZ2 3.94Å; K257-W259 HydrophobicContact CD-CZ3 4.23Å; W259-Y286 HydrophobicContact CB-CD1 4.25Å; W259-Y286 HydrophobicContact CB-CG 4.43Å; W259-E287 CarbonylContact C-O 3.58Å; W259-E287 WeakPolarHBondContact CA-O 3.35Å; W259-E288 HydrophobicContact CG-CB 4.39Å; W259-E288 PolarHBondContact NE1-OE1 3.08Å
260S90.2Very high87.2Confident29 Ų2933 Ų3320%0.20317%0.167CC..EExtended strand (participates in β ladder)trans-98.9136.1175.8-172.90000108.9Y286 E287 Q356S260-Y286 CarbonylContact O-C 3.6Å; S260-Y286 VanDerWaalsContact O-CA 3.24Å; S260-Y286 WeakPolarHBondContact O-CA 3.4Å; S260-E287 PolarHBondContact N-O 2.84Å; S260-E287 PolarHBondContact O-N 2.91Å; S260-Q356 PolarHBondContact OG-OE1 2.6Å
261L93.9Very high85.7Confident0 Ų034.4 Ų34.40%018%0.179CC..EExtended strand (participates in β ladder)trans-67137.8169.8-179.165000107.9Y255 D263 F284 Y286 T331 C332 F354Y255-L261 HydrophobicContact CE1-CB 4.01Å; Y255-L261 WeakPolarHBondContact OH-CB 3.2Å; L261-D263 WeakPolarHBondContact CD1-O 3.28Å; L261-F284 HydrophobicContact CD1-CB 3.69Å; L261-F284 HydrophobicContact CD1-CD1 3.54Å; L261-F284 HydrophobicContact CD1-CE1 4.27Å; L261-F284 HydrophobicContact CD1-CG 3.73Å; L261-F284 HydrophobicContact CD2-CD1 4.21Å; L261-F284 HydrophobicContact CD2-CE1 4.11Å; L261-Y286 HydrophobicContact CB-CD1 4.21Å; L261-Y286 HydrophobicContact CB-CE1 3.97Å; L261-Y286 HydrophobicContact CD1-CD1 4.4Å; L261-Y286 HydrophobicContact CD1-CE1 4.07Å; L261-Y286 HydrophobicContact CD1-CE2 4.35Å; L261-T331 WeakPolarHBondContact O-CB 3.32Å; L261-C332 HydrophobicContact CD2-CB 3.66Å; L261-C332 HydrophobicContact CG-CB 3.77Å; L261-F354 HydrophobicContact CD2-CB 3.99Å; L261-F354 HydrophobicContact CD2-CD1 3.77Å; L261-F354 HydrophobicContact CD2-CD2 3.99Å; L261-F354 HydrophobicContact CD2-CE1 4.26Å; L261-F354 HydrophobicContact CD2-CE2 4.44Å; L261-F354 HydrophobicContact CD2-CG 3.64Å
262V94.1Very high84.4Confident15 Ų1544.2 Ų44.29%0.09122%0.222CC..EExtended strand (participates in β ladder)trans-126.8-29.2177.5-68.30000113.3F154 Y224 V285 E287F154-V262 HydrophobicContact CD1-CG2 3.99Å; F154-V262 HydrophobicContact CE1-CG2 4.1Å; Y224-V262 HydrophobicContact CD1-CG2 4.25Å; Y224-V262 HydrophobicContact CE1-CG2 4.28Å; V262-V285 HydrophobicContact CG2-CB 4.13Å; V262-V285 HydrophobicContact CG2-CG1 3.89Å; V262-V285 WeakPolarHBondContact CG2-O 3.26Å; V262-V285 PolarHBondContact N-O 2.7Å; V262-E287 HydrophobicContact CG1-CB 3.48Å; V262-E287 VanDerWaalsContact CG1-CB 3.48Å; V262-E287 HydrophobicContact CG1-CG 4.46Å; V262-E287 WeakPolarHBondContact CG1-OE2 3.31Å; V262-E287 HydrophobicContact CG2-CB 4.23Å
263D95.7Very high83.3Confident13 Ų1345.3 Ų45.37%0.0724%0.237CC..EExtended strand (participates in β ladder)trans-151.7157.4179.2-165.722.2000111.6F154 S157 L261 V285F154-D263 HydrophobicContact CE1-CB 3.63Å; F154-D263 HydrophobicContact CZ-CB 3.99Å; S157-D263 WeakPolarHBondContact CB-OD2 3.33Å; S157-D263 PolarHBondContact N-OD2 3.09Å; S157-D263 PolarHBondContact OG-OD2 3Å; L261-D263 WeakPolarHBondContact CD1-O 3.28Å; D263-V285 HydrophobicContact CB-CB 4.11Å; D263-V285 HydrophobicContact CB-CG2 4.28Å; D263-V285 PolarHBondContact N-O 2.89Å; D263-V285 PolarHBondContact O-N 2.81Å
264S94.9Very high82.6Confident10 Ų1049.4 Ų49.47%0.0725%0.249CC..EExtended strand (participates in β ladder)trans-133.4128.5174.368.60000109.2L283 L334S264-L283 CarbonylContact C-O 3.53Å; S264-L283 WeakPolarHBondContact CA-O 3.15Å; S264-L334 WeakPolarHBondContact OG-CD1 3.4Å
265F91.2Very high82.1Confident11 Ų1148.5 Ų48.55%0.04825%0.249CC..EExtended strand (participates in β ladder)trans-126.3123.9-177.2-176.8-87.8000110.3P128 L132 L159 L203 Y267 G282 L283P128-F265 HydrophobicContact CG-CZ 4.49Å; L132-F265 HydrophobicContact CD1-CD1 3.85Å; L132-F265 HydrophobicContact CD1-CE1 4.22Å; L132-F265 HydrophobicContact CD2-CD1 3.61Å; L132-F265 HydrophobicContact CD2-CE1 3.55Å; L132-F265 HydrophobicContact CG-CD1 4.16Å; L132-F265 HydrophobicContact CG-CE1 4.11Å; L159-F265 HydrophobicContact CD1-CE2 3.86Å; L159-F265 HydrophobicContact CD1-CZ 3.91Å; L159-F265 HydrophobicContact CD2-CE2 3.92Å; L159-F265 HydrophobicContact CD2-CZ 4.13Å; L159-F265 HydrophobicContact CG-CE2 3.71Å; L159-F265 HydrophobicContact CG-CZ 4.16Å; L203-F265 HydrophobicContact CD1-CD2 4.33Å; L203-F265 HydrophobicContact CD1-CE2 3.72Å; F265-Y267 AromaticContact CE1-CD2 3.72Å; F265-Y267 HydrophobicContact CE1-CD2 3.72Å; F265-Y267 HydrophobicContact CE1-CE1 4.41Å; F265-Y267 AromaticContact CE1-CE2 3.45Å; F265-Y267 HydrophobicContact CE1-CE2 3.45Å; F265-Y267 VanDerWaalsContact CE1-CE2 3.45Å; F265-Y267 HydrophobicContact CE1-CG 4.29Å; F265-Y267 AromaticContact CE1-CZ 3.83Å; F265-Y267 HydrophobicContact CZ-CD1 4.49Å; F265-Y267 HydrophobicContact CZ-CD2 4.27Å; F265-Y267 HydrophobicContact CZ-CE1 4.01Å; F265-Y267 AromaticContact CZ-CE2 3.76Å; F265-Y267 HydrophobicContact CZ-CE2 3.76Å; F265-Y267 AromaticContact CZ-CZ 3.6Å; F265-G282 WeakPolarHBondContact O-CA 3.44Å; F265-L283 HydrophobicContact CB-CB 4.37Å; F265-L283 PolarHBondContact N-O 2.89Å; F265-L283 PolarHBondContact O-N 2.87Å
266V89.4Confident81.8Confident10 Ų1048.8 Ų48.86%0.06125%0.251CS..  trans-137.5129.5-177.6-176.30000109.4L229 M231 W268 L280 L334L229-V266 HydrophobicContact CD2-CG2 3.57Å; M231-V266 HydrophobicContact CE-CG1 4.35Å; M231-V266 HydrophobicContact CE-CG2 4.39Å; V266-W268 HydrophobicContact CB-CZ2 4.34Å; V266-W268 HydrophobicContact CG1-CD2 3.84Å; V266-W268 HydrophobicContact CG1-CE3 4.41Å; V266-W268 HydrophobicContact CG1-CG 4.13Å; V266-W268 HydrophobicContact CG1-CZ2 3.97Å; V266-W268 VanDerWaalsContact O-CD1 3.28Å; V266-W268 PolarHBondContact O-N 3.12Å; V266-L280 HydrophobicContact CG1-CD2 3.53Å; V266-L280 HydrophobicContact CG1-CG 4.12Å; V266-L334 HydrophobicContact CG2-CD1 3.81Å
267Y83.3Confident81.9Confident30 Ų3044.2 Ų44.212%0.11824%0.242CC..  trans-85.2107.5167.6-83.6-63.7000110.1P128 G129 L132 L159 F265P128-Y267 WeakPolarHBondContact CD-OH 3.27Å; P128-Y267 HydrophobicContact CG-CE2 3.89Å; P128-Y267 WeakPolarHBondContact CG-OH 3.43Å; G129-Y267 PolarHBondContact O-OH 3.38Å; L132-Y267 HydrophobicContact CD2-CD2 4.29Å; L132-Y267 HydrophobicContact CD2-CE2 4.14Å; L132-Y267 HydrophobicContact CG-CD2 3.86Å; L132-Y267 HydrophobicContact CG-CE2 4.21Å; L159-Y267 HydrophobicContact CD1-CD1 4.15Å; L159-Y267 HydrophobicContact CD1-CE1 3.96Å; F265-Y267 AromaticContact CE1-CD2 3.72Å; F265-Y267 HydrophobicContact CE1-CD2 3.72Å; F265-Y267 HydrophobicContact CE1-CE1 4.41Å; F265-Y267 AromaticContact CE1-CE2 3.45Å; F265-Y267 HydrophobicContact CE1-CE2 3.45Å; F265-Y267 VanDerWaalsContact CE1-CE2 3.45Å; F265-Y267 HydrophobicContact CE1-CG 4.29Å; F265-Y267 AromaticContact CE1-CZ 3.83Å; F265-Y267 HydrophobicContact CZ-CD1 4.49Å; F265-Y267 HydrophobicContact CZ-CD2 4.27Å; F265-Y267 HydrophobicContact CZ-CE1 4.01Å; F265-Y267 AromaticContact CZ-CE2 3.76Å; F265-Y267 HydrophobicContact CZ-CE2 3.76Å; F265-Y267 AromaticContact CZ-CZ 3.6Å
268W80.9Confident82Confident16 Ų1647.8 Ų47.86%0.06125%0.252CS..  trans-93.3-22.6179.6-63.996.6000113.6L83 L85 M231 L243 V266 L280 P337L83-W268 HydrophobicContact CD2-CD2 4.2Å; L83-W268 HydrophobicContact CD2-CG 3.81Å; L83-W268 VanDerWaalsContact CD2-NE1 3.33Å; L85-W268 HydrophobicContact CD1-CB 3.96Å; L85-W268 HydrophobicContact CD2-CB 3.18Å; L85-W268 HydrophobicContact CD2-CG 4.17Å; L85-W268 HydrophobicContact CG-CB 4.2Å; M231-W268 HydrophobicContact CE-CH2 3.59Å; M231-W268 HydrophobicContact CE-CZ2 3.98Å; M231-W268 HydrophobicContact CE-CZ3 4.35Å; L243-W268 HydrophobicContact CD1-CH2 4.06Å; L243-W268 HydrophobicContact CD1-CZ3 4.45Å; L243-W268 HydrophobicContact CD2-CH2 3.98Å; V266-W268 HydrophobicContact CB-CZ2 4.34Å; V266-W268 HydrophobicContact CG1-CD2 3.84Å; V266-W268 HydrophobicContact CG1-CE3 4.41Å; V266-W268 HydrophobicContact CG1-CG 4.13Å; V266-W268 HydrophobicContact CG1-CZ2 3.97Å; V266-W268 VanDerWaalsContact O-CD1 3.28Å; V266-W268 PolarHBondContact O-N 3.12Å; W268-L280 HydrophobicContact CD2-CD2 4.04Å; W268-L280 HydrophobicContact CE3-CD2 3.38Å; W268-L280 HydrophobicContact CH2-CD2 4.04Å; W268-L280 HydrophobicContact CZ3-CD2 3.38Å; W268-P337 HydrophobicContact CD2-CG 3.92Å; W268-P337 HydrophobicContact CE3-CG 3.46Å; W268-P337 VanDerWaalsContact CE3-CG 3.46Å; W268-P337 VanDerWaalsContact CH2-CD 3.47Å; W268-P337 HydrophobicContact CH2-CG 4.18Å; W268-P337 VanDerWaalsContact CZ3-CD 3.44Å; W268-P337 HydrophobicContact CZ3-CG 3.61Å
269D74.7Confident82.3Confident39 Ų3950.7 Ų50.721%0.20927%0.27CS..PPolyproline II helixtrans-79.8134.2174.5-90.8-16.6000110.4G86 R89G86-D269 PolarHBondContact N-OD1 3.13Å; R89-D269 IonicContact CZ-OD2 3.56Å; R89-D269 IonicContact NE-OD2 2.89Å; R89-D269 IonicContact NH2-OD2 2.7Å; R89-D269 PolarHBondContact NH2-OD2 3.23Å
270T67.8Low82.4Confident39 Ų3949.8 Ų49.824%0.23927%0.268CS..PPolyproline II helixtrans-100.3135.4176.545.10000110.1K272 G273 E274T270-K272 PolarHBondContact O-N 3.15Å; T270-G273 PolarHBondContact O-N 3.2Å; T270-E274 WeakPolarHBondContact CB-O 3.33Å; T270-E274 PolarHBondContact OG1-O 2.84Å
271P59.3Low82.5Confident71 Ų7153.5 Ų53.546%0.46128%0.282SS..G310 helixtrans-61.1138.117224.4-31000109.2D130D130-P271 HydrophobicContact CB-CG 4.43Å
272K63.4Low82.4Confident205 Ų20554 Ų5489%0.89129%0.288SS*.G310 helixtrans75.89.9177.3-48.5179-179.5-178.40117.1T270 E274T270-K272 PolarHBondContact O-N 3.15Å; K272-E274 PolarHBondContact O-N 3.01Å
273G65.3Low82.4Confident56 Ų5653.7 Ų53.758%0.57729%0.285SS*.G310 helixtrans71.118.6176.100000114T270T270-G273 PolarHBondContact O-N 3.2Å
274E73.3Confident82.4Confident124 Ų12453.1 Ų53.158%0.57928%0.282SS*.  trans-64.4149.9169.2-73.1-63.5149.100110.3T270 K272T270-E274 WeakPolarHBondContact CB-O 3.33Å; T270-E274 PolarHBondContact OG1-O 2.84Å; K272-E274 PolarHBondContact O-N 3.01Å
275P76.8Confident82.5Confident27 Ų2753 Ų5318%0.17528%0.281CS..  trans-68.5140.9178.629.2-33.7000111.4R235R235-P275 VanDerWaalsContact CZ-CB 3.5Å; R235-P275 VanDerWaalsContact CZ-CG 3.44Å; R235-P275 VanDerWaalsContact NH1-CB 3.27Å; R235-P275 VanDerWaalsContact NH1-CG 3.34Å; R235-P275 PolarHBondContact NH1-O 3.1Å
276V82.6Confident82.6Confident10 Ų1052.4 Ų52.46%0.06128%0.278CS..  trans-45.3128.1178.3-178.60000111.1L85 V233 R235 V240 L280L85-V276 HydrophobicContact CD1-CG2 3.9Å; V233-V276 HydrophobicContact CG1-CG1 4.18Å; V233-V276 HydrophobicContact CG2-CG1 4.43Å; R235-V276 PolarHBondContact NH1-O 3.4Å; V240-V276 HydrophobicContact CG2-CB 4.2Å; V240-V276 HydrophobicContact CG2-CG2 4.07Å; V276-L280 HydrophobicContact CG1-CD1 4.43Å; V276-L280 HydrophobicContact CG1-CD2 4.38Å
277P85.8Confident82.7Confident61 Ų6152 Ų5240%0.39628%0.276SS..  trans-52.7150-179.3-27.835.4000113.3V233 S279V233-P277 WeakPolarHBondContact CB-O 3.44Å; P277-S279 WeakPolarHBondContact CB-O 3.43Å; P277-S279 PolarHBondContact O-N 3.31Å
278R88.2Confident83Confident190 Ų19052.6 Ų52.672%0.71728%0.279SS*.SBendtrans-67.6-22.6177.4-71.1-174.6180167.90.2113.6R232 V233R232-R278 WeakPolarHBondContact CA-O 3.43Å; V233-R278 PolarHBondContact N-O 3.12Å
279S90.1Very high82.6Confident75 Ų7557.3 Ų57.352%0.52430%0.297SS..EExtended strand (participates in β ladder)trans-121.8120.4171.8-161.30000106.2M231 P277M231-S279 WeakPolarHBondContact O-CA 3.47Å; P277-S279 WeakPolarHBondContact CB-O 3.43Å; P277-S279 PolarHBondContact O-N 3.31Å
280L90.4Very high82.1Confident14 Ų1457.4 Ų57.47%0.07330%0.301CS..EExtended strand (participates in β ladder)trans-116.5130-177.7-172.367.8000109.1M231 V233 V266 W268 V276M231-L280 HydrophobicContact CE-CD2 4.15Å; M231-L280 PolarHBondContact N-O 2.84Å; M231-L280 PolarHBondContact O-N 3.21Å; V233-L280 HydrophobicContact CG2-CB 3.73Å; V233-L280 HydrophobicContact CG2-CD2 4.42Å; V266-L280 HydrophobicContact CG1-CD2 3.53Å; V266-L280 HydrophobicContact CG1-CG 4.12Å; W268-L280 HydrophobicContact CD2-CD2 4.04Å; W268-L280 HydrophobicContact CE3-CD2 3.38Å; W268-L280 HydrophobicContact CH2-CD2 4.04Å; W268-L280 HydrophobicContact CZ3-CD2 3.38Å; V276-L280 HydrophobicContact CG1-CD1 4.43Å; V276-L280 HydrophobicContact CG1-CD2 4.38Å
281E90.8Very high81.5Confident108 Ų10861.9 Ų61.951%0.50533%0.328SS..EExtended strand (participates in β ladder)trans-101.3141.9175.3-61.5-59.8138.700109.8L229 S230L229-E281 CarbonylContact O-C 3.58Å; L229-E281 WeakPolarHBondContact O-CA 3.22Å; S230-E281 WeakPolarHBondContact CB-OE1 3.37Å; S230-E281 WeakPolarHBondContact CB-OE2 3.33Å; S230-E281 PolarHBondContact OG-OE1 3.08Å
282G91.9Very high81.4Confident11 Ų1161 Ų6111%0.11332%0.324CS..EExtended strand (participates in β ladder)trans-139.8-178.3177.200000110.8L229 F265L229-G282 PolarHBondContact N-O 2.66Å; L229-G282 VanDerWaalsContact N-O 3.14Å; L229-G282 PolarHBondContact O-N 3.03Å; F265-G282 WeakPolarHBondContact O-CA 3.44Å
283L94.1Very high81Confident8 Ų856.2 Ų56.24%0.04231%0.314CS..EExtended strand (participates in β ladder)trans-118.4125.1180174.964.2000109.6L132 V137 Q226 S264 F265 V285L132-L283 HydrophobicContact CD1-CB 4.17Å; V137-L283 HydrophobicContact CG1-CD1 3.53Å; V137-L283 HydrophobicContact CG1-CD2 3.93Å; V137-L283 HydrophobicContact CG1-CG 4.32Å; Q226-L283 HydrophobicContact CB-CD1 3.7Å; S264-L283 CarbonylContact C-O 3.53Å; S264-L283 WeakPolarHBondContact CA-O 3.15Å; F265-L283 HydrophobicContact CB-CB 4.37Å; F265-L283 PolarHBondContact N-O 2.89Å; F265-L283 PolarHBondContact O-N 2.87Å; L283-V285 HydrophobicContact CD2-CG2 4.18Å; L283-V285 HydrophobicContact CG-CG2 4.2Å
284F96.3Very high80.7Confident0 Ų054.6 Ų54.60%029%0.293CS..EExtended strand (participates in β ladder)trans-92.6138.4158.1-76.4-41.4000110G227 L229 L250 T251 L261 Y286 F354G227-F284 PolarHBondContact N-O 3.34Å; G227-F284 PolarHBondContact O-N 3.06Å; L229-F284 HydrophobicContact CB-CD1 4.39Å; L229-F284 HydrophobicContact CB-CD2 3.87Å; L229-F284 HydrophobicContact CB-CE1 4.43Å; L229-F284 HydrophobicContact CB-CE2 3.93Å; L229-F284 HydrophobicContact CB-CG 4.13Å; L229-F284 HydrophobicContact CB-CZ 4.22Å; L229-F284 HydrophobicContact CD1-CE1 4.28Å; L229-F284 HydrophobicContact CD1-CE2 3.73Å; L229-F284 HydrophobicContact CD1-CZ 3.59Å; L229-F284 HydrophobicContact CD2-CD1 4.24Å; L229-F284 HydrophobicContact CD2-CE1 3.82Å; L229-F284 HydrophobicContact CD2-CZ 4.01Å; L229-F284 HydrophobicContact CG-CE1 4.4Å; L229-F284 HydrophobicContact CG-CE2 4.27Å; L229-F284 HydrophobicContact CG-CZ 4.14Å; L250-F284 HydrophobicContact CB-CE2 4.49Å; T251-F284 HydrophobicContact CG2-CE2 4.21Å; L261-F284 HydrophobicContact CD1-CB 3.69Å; L261-F284 HydrophobicContact CD1-CD1 3.54Å; L261-F284 HydrophobicContact CD1-CE1 4.27Å; L261-F284 HydrophobicContact CD1-CG 3.73Å; L261-F284 HydrophobicContact CD2-CD1 4.21Å; L261-F284 HydrophobicContact CD2-CE1 4.11Å; F284-Y286 HydrophobicContact CB-CD2 4.12Å; F284-Y286 HydrophobicContact CB-CE2 3.43Å; F284-Y286 VanDerWaalsContact CB-CE2 3.43Å; F284-Y286 HydrophobicContact CD2-CE2 4.42Å; F284-Y286 HydrophobicContact CG-CE2 4.3Å; F284-F354 HydrophobicContact CE1-CZ 4.3Å; F284-F354 HydrophobicContact CZ-CE1 4.35Å; F284-F354 AromaticContact CZ-CZ 3.94Å; F284-F354 HydrophobicContact CZ-CZ 3.94Å
285V96.4Very high80.2Confident7 Ų752.4 Ų52.44%0.04229%0.289CS..EExtended strand (participates in β ladder)trans-108.1121.9172.6-173.90000107.7I141 F154 Y224 V262 D263 L283I141-V285 HydrophobicContact CD1-CG1 4.04Å; I141-V285 HydrophobicContact CD1-CG2 4.15Å; F154-V285 HydrophobicContact CD1-CG1 4.34Å; F154-V285 HydrophobicContact CE1-CB 4.29Å; F154-V285 HydrophobicContact CE1-CG1 3.93Å; Y224-V285 HydrophobicContact CD1-CG1 4.18Å; V262-V285 HydrophobicContact CG2-CB 4.13Å; V262-V285 HydrophobicContact CG2-CG1 3.89Å; V262-V285 WeakPolarHBondContact CG2-O 3.26Å; V262-V285 PolarHBondContact N-O 2.7Å; D263-V285 HydrophobicContact CB-CB 4.11Å; D263-V285 HydrophobicContact CB-CG2 4.28Å; D263-V285 PolarHBondContact N-O 2.89Å; D263-V285 PolarHBondContact O-N 2.81Å; L283-V285 HydrophobicContact CD2-CG2 4.18Å; L283-V285 HydrophobicContact CG-CG2 4.2Å
286Y94.6Very high79.8Confident0 Ų054 Ų540%030%0.296CS..EExtended strand (participates in β ladder)trans-109.3142179-69.4-90000110.6Y224 H225 Y254 Y255 W259 S260 L261 F284Y224-Y286 CarbonylContact C-O 3.57Å; Y224-Y286 WeakPolarHBondContact CA-O 3.33Å; H225-Y286 PolarHBondContact N-O 2.77Å; H225-Y286 PolarHBondContact O-N 2.89Å; Y254-Y286 VanDerWaalsContact CB-CE1 3.44Å; Y254-Y286 HydrophobicContact CD1-CD2 4.15Å; Y254-Y286 HydrophobicContact CD1-CE2 4.09Å; Y254-Y286 HydrophobicContact CD2-CD2 4.5Å; Y254-Y286 HydrophobicContact CD2-CE1 4.21Å; Y254-Y286 AromaticContact CD2-CE2 3.67Å; Y254-Y286 HydrophobicContact CD2-CE2 3.67Å; Y254-Y286 AromaticContact CD2-CZ 3.49Å; Y254-Y286 VanDerWaalsContact CD2-CZ 3.49Å; Y254-Y286 WeakPolarHBondContact CD2-OH 3.24Å; Y254-Y286 HydrophobicContact CE1-CE2 4.42Å; Y254-Y286 HydrophobicContact CE2-CE2 4.05Å; Y254-Y286 HydrophobicContact CG-CD1 4.33Å; Y254-Y286 HydrophobicContact CG-CD2 4.09Å; Y254-Y286 AromaticContact CG-CE1 3.95Å; Y254-Y286 HydrophobicContact CG-CE1 3.95Å; Y254-Y286 AromaticContact CG-CE2 3.68Å; Y254-Y286 HydrophobicContact CG-CE2 3.68Å; Y254-Y286 HydrophobicContact CG-CG 4.39Å; Y254-Y286 AromaticContact CG-CZ 3.61Å; Y255-Y286 HydrophobicContact CD1-CE1 4.15Å; Y255-Y286 HydrophobicContact CE1-CD1 4.32Å; Y255-Y286 AromaticContact CE1-CE1 3.73Å; Y255-Y286 HydrophobicContact CE1-CE1 3.73Å; W259-Y286 HydrophobicContact CB-CD1 4.25Å; W259-Y286 HydrophobicContact CB-CG 4.43Å; S260-Y286 CarbonylContact O-C 3.6Å; S260-Y286 VanDerWaalsContact O-CA 3.24Å; S260-Y286 WeakPolarHBondContact O-CA 3.4Å; L261-Y286 HydrophobicContact CB-CD1 4.21Å; L261-Y286 HydrophobicContact CB-CE1 3.97Å; L261-Y286 HydrophobicContact CD1-CD1 4.4Å; L261-Y286 HydrophobicContact CD1-CE1 4.07Å; L261-Y286 HydrophobicContact CD1-CE2 4.35Å; F284-Y286 HydrophobicContact CB-CD2 4.12Å; F284-Y286 HydrophobicContact CB-CE2 3.43Å; F284-Y286 VanDerWaalsContact CB-CE2 3.43Å; F284-Y286 HydrophobicContact CD2-CE2 4.42Å; F284-Y286 HydrophobicContact CG-CE2 4.3Å
287E92.1Very high80Confident1 Ų154.7 Ų54.71%0.00530%0.3CS..EExtended strand (participates in β ladder)trans-107126.7174.8-175.3-172.8-169.400110.2Q153 C222 Y224 W259 S260 V262 R289Q153-E287 PolarHBondContact NE2-OE1 2.89Å; C222-E287 HydrophobicContact CB-CG 4.25Å; C222-E287 PolarHBondContact SG-OE1 2.76Å; Y224-E287 HydrophobicContact CD1-CB 4.06Å; Y224-E287 HydrophobicContact CD1-CG 4.29Å; Y224-E287 HydrophobicContact CE1-CB 3.81Å; Y224-E287 HydrophobicContact CE1-CG 3.71Å; W259-E287 CarbonylContact C-O 3.58Å; W259-E287 WeakPolarHBondContact CA-O 3.35Å; S260-E287 PolarHBondContact N-O 2.84Å; S260-E287 PolarHBondContact O-N 2.91Å; V262-E287 HydrophobicContact CG1-CB 3.48Å; V262-E287 VanDerWaalsContact CG1-CB 3.48Å; V262-E287 HydrophobicContact CG1-CG 4.46Å; V262-E287 WeakPolarHBondContact CG1-OE2 3.31Å; V262-E287 HydrophobicContact CG2-CB 4.23Å; E287-R289 HydrophobicContact CG-CG 3.96Å; E287-R289 IonicContact OE1-CZ 2.94Å; E287-R289 IonicContact OE1-NE 2.68Å; E287-R289 PolarHBondContact OE1-NE 2.89Å; E287-R289 IonicContact OE1-NH2 2.88Å; E287-R289 IonicContact OE2-CZ 3.34Å; E287-R289 IonicContact OE2-NE 3.58Å; E287-R289 PolarHBondContact OE2-NE 2.85Å; E287-R289 IonicContact OE2-NH2 3.18Å; E287-R289 PolarHBondContact OE2-NH2 2.79Å
288E88.9Confident80.2Confident42 Ų4251.9 Ų51.920%0.19628%0.282CS..EExtended strand (participates in β ladder)trans-96.5107.9172.3-178.3173.6-154.800109.5Q223 H225 W259Q223-E288 HydrophobicContact CB-CB 4.43Å; Q223-E288 PolarHBondContact N-O 3.46Å; Q223-E288 WeakPolarHBondContact O-CB 3.29Å; Q223-E288 PolarHBondContact O-N 2.77Å; H225-E288 IonicContact CD2-OE2 2.77Å; H225-E288 IonicContact CE1-OE2 3.99Å; H225-E288 IonicContact NE2-OE2 3.78Å; H225-E288 PolarHBondContact NE2-OE2 2.85Å; W259-E288 HydrophobicContact CG-CB 4.39Å; W259-E288 PolarHBondContact NE1-OE1 3.08Å
289R72.4Confident80.5Confident116 Ų11643 Ų4344%0.43825%0.248SC..  trans-101.4-19.5177.9-67.6-170.8-178.8159.39.4114.2E287E287-R289 HydrophobicContact CG-CG 3.96Å; E287-R289 IonicContact OE1-CZ 2.94Å; E287-R289 IonicContact OE1-NE 2.68Å; E287-R289 PolarHBondContact OE1-NE 2.89Å; E287-R289 IonicContact OE1-NH2 2.88Å; E287-R289 IonicContact OE2-CZ 3.34Å; E287-R289 IonicContact OE2-NE 3.58Å; E287-R289 PolarHBondContact OE2-NE 2.85Å; E287-R289 IonicContact OE2-NH2 3.18Å; E287-R289 PolarHBondContact OE2-NH2 2.79Å
290S63.4Low80.7Confident41 Ų4139.4 Ų39.429%0.28722%0.223SC..  trans-156.1149.3-178.4-178.50000111S292S290-S292 VanDerWaalsContact C-N 3.34Å; S290-S292 PolarHBondContact OG-N 2.97Å; S290-S292 VanDerWaalsContact OG-N 3.17Å; S290-S292 PolarHBondContact OG-OG 3.15Å
291T56.7Low81Confident132 Ų13238.8 Ų38.881%0.8122%0.22SC*.SBendtrans-84.7-7.2173.2570000113.2
292S56.4Low81.1Confident52 Ų5234 Ų3436%0.36420%0.198SC..SBendtrans-79.8124.8176.263.80000110.3S290 P294S290-S292 VanDerWaalsContact C-N 3.34Å; S290-S292 PolarHBondContact OG-N 2.97Å; S290-S292 VanDerWaalsContact OG-N 3.17Å; S290-S292 PolarHBondContact OG-OG 3.15Å; S292-P294 VanDerWaalsContact O-CD 3.26Å; S292-P294 WeakPolarHBondContact O-CD 3.38Å
293P55.7Low81.1Confident106 Ų10634.6 Ų34.669%0.68820%0.197SC*.PPolyproline II helixtrans-65.1118.8-178.124.2-31.3000110.1
294P58.8Low81Confident22 Ų2236.2 Ų36.214%0.14320%0.203CC..PPolyproline II helixtrans-73.5164.1176.630.8-35.2000112.3G258 S292 N296 V359G258-P294 VanDerWaalsContact CA-CG 3.45Å; S292-P294 VanDerWaalsContact O-CD 3.26Å; S292-P294 WeakPolarHBondContact O-CD 3.38Å; P294-N296 PolarHBondContact O-N 2.79Å; P294-V359 HydrophobicContact CB-CB 3.71Å; P294-V359 HydrophobicContact CB-CG1 3.71Å; P294-V359 HydrophobicContact CB-CG2 3.01Å; P294-V359 HydrophobicContact CG-CG2 4.21Å
295P62.1Low80.7Confident77 Ų7736.2 Ų36.250%0.520%0.203SC..PPolyproline II helixtrans-54.5125.1153.724.4-35000110.1D297 V359P295-D297 PolarHBondContact O-N 3.33Å; P295-V359 HydrophobicContact CG-CG2 4.25Å
296N68.2Low80.3Confident60 Ų6037 Ų3732%0.32121%0.208SC..  trans-7848.8-178.8-60.9-49.3000112T22 Y255 R256 P294 T298T22-N296 PolarHBondContact OG1-O 2.67Å; Y255-N296 PolarHBondContact O-OD1 3.08Å; R256-N296 WeakPolarHBondContact CA-OD1 3.38Å; R256-N296 VanDerWaalsContact CG-ND2 3.29Å; R256-N296 WeakPolarHBondContact CG-ND2 3.44Å; R256-N296 PolarHBondContact N-OD1 2.98Å; R256-N296 VanDerWaalsContact N-OD1 3.08Å; P294-N296 PolarHBondContact O-N 2.79Å; N296-T298 PolarHBondContact O-N 2.86Å
297D87.1Confident79.9Confident26 Ų2637.2 Ų37.214%0.13921%0.209CC..  trans-82.8111.5-174.7-66.2-9.9000108.7L23 P295 W328 R357L23-D297 HydrophobicContact CD1-CB 3.93Å; P295-D297 PolarHBondContact O-N 3.33Å; D297-W328 HydrophobicContact CB-CH2 3.92Å; D297-W328 HydrophobicContact CB-CZ3 4.37Å; D297-R357 HydrophobicContact CB-CB 4.36Å; D297-R357 VanDerWaalsContact CG-NH2 3.34Å; D297-R357 IonicContact OD1-NH2 2.92Å; D297-R357 IonicContact OD2-CZ 3.81Å; D297-R357 IonicContact OD2-NE 3.08Å; D297-R357 PolarHBondContact OD2-NE 3.17Å; D297-R357 IonicContact OD2-NH2 2.73Å; D297-R357 PolarHBondContact OD2-NH2 3.37Å
298T90.4Very high79.5Confident1 Ų142.7 Ų42.71%0.00624%0.235CC..EExtended strand (participates in β ladder)trans-135.3141.9179.6178.60000110.9S21 T22 L248 Y255 N296 L355S21-T298 WeakPolarHBondContact CA-O 3.22Å; S21-T298 PolarHBondContact OG-O 2.86Å; S21-T298 VanDerWaalsContact OG-O 3.11Å; T22-T298 HydrophobicContact CG2-CG2 3.55Å; T22-T298 PolarHBondContact N-O 3.49Å; T22-T298 PolarHBondContact OG1-N 2.71Å; L248-T298 HydrophobicContact CD2-CG2 3.71Å; Y255-T298 HydrophobicContact CD2-CG2 3.92Å; Y255-T298 HydrophobicContact CE2-CG2 3.9Å; Y255-T298 WeakPolarHBondContact CE2-OG1 3.33Å; N296-T298 PolarHBondContact O-N 2.86Å; T298-L355 WeakPolarHBondContact CA-O 3.41Å
299I93.8Very high78.7Confident4 Ų442.5 Ų42.52%0.02124%0.244CC..EExtended strand (participates in β ladder)trans-124.6130.5167.8-66.6172.1000107I19 Y20 V28 V301 L323 W328 L355I19-I299 HydrophobicContact CG2-CG2 4Å; Y20-I299 WeakPolarHBondContact O-CA 3.39Å; V28-I299 HydrophobicContact CB-CD1 4.45Å; V28-I299 HydrophobicContact CG1-CD1 3.65Å; V28-I299 HydrophobicContact CG2-CD1 4.04Å; I299-V301 HydrophobicContact CG2-CG2 3.71Å; I299-L323 HydrophobicContact CD1-CD1 4.39Å; I299-L323 HydrophobicContact CD1-CD2 4.24Å; I299-W328 HydrophobicContact CB-CE3 4.44Å; I299-W328 HydrophobicContact CB-CZ3 4.2Å; I299-W328 HydrophobicContact CD1-CD2 3.66Å; I299-W328 HydrophobicContact CD1-CE3 3.89Å; I299-W328 HydrophobicContact CD1-CG 4.38Å; I299-W328 HydrophobicContact CD1-CH2 3.64Å; I299-W328 HydrophobicContact CD1-CZ2 3.4Å; I299-W328 HydrophobicContact CD1-CZ3 3.88Å; I299-W328 HydrophobicContact CG1-CD2 4.4Å; I299-W328 HydrophobicContact CG1-CE3 4.13Å; I299-W328 HydrophobicContact CG1-CH2 3.56Å; I299-W328 HydrophobicContact CG1-CZ2 3.86Å; I299-W328 HydrophobicContact CG1-CZ3 3.7Å; I299-L355 HydrophobicContact CB-CB 4.36Å; I299-L355 HydrophobicContact CB-CD1 4.46Å; I299-L355 HydrophobicContact CG2-CD1 4.25Å; I299-L355 PolarHBondContact N-O 2.72Å; I299-L355 PolarHBondContact O-N 3.13Å
300V95.2Very high78.4Confident0 Ų038.7 Ų38.70%023%0.234CC..EExtended strand (participates in β ladder)trans-117.7130.8171.4-173.80000108.2Y20 W247 L248 V352 V353 F354Y20-V300 HydrophobicContact CD2-CB 4.38Å; Y20-V300 PolarHBondContact N-O 3.01Å; Y20-V300 PolarHBondContact O-N 2.77Å; W247-V300 HydrophobicContact CB-CB 4.14Å; W247-V300 HydrophobicContact CB-CG1 3.74Å; W247-V300 HydrophobicContact CB-CG2 4.02Å; W247-V300 HydrophobicContact CG-CG1 3.88Å; L248-V300 HydrophobicContact CD2-CG2 3.88Å; V300-V352 HydrophobicContact CG1-CG1 3.42Å; V300-V352 VanDerWaalsContact CG1-CG1 3.42Å; V300-V353 CarbonylContact C-O 3.51Å; V300-V353 WeakPolarHBondContact CA-O 3.49Å; V300-F354 HydrophobicContact CB-CD1 4.44Å; V300-F354 HydrophobicContact CB-CE1 4.48Å; V300-F354 HydrophobicContact CG1-CD1 4.08Å; V300-F354 HydrophobicContact CG1-CE1 3.82Å; V300-F354 HydrophobicContact CG1-CZ 4.17Å; V300-F354 HydrophobicContact CG2-CD1 3.62Å; V300-F354 HydrophobicContact CG2-CE1 3.79Å
301V95Very high79Confident1 Ų139.9 Ų39.91%0.00624%0.237CC..EExtended strand (participates in β ladder)trans-124.8119.9-178.6-171.30000109.5K18 I19 I299 Q303 L319 V352 V353 L355K18-V301 CarbonylContact O-C 3.57Å; K18-V301 WeakPolarHBondContact O-CA 3.42Å; I19-V301 HydrophobicContact CG1-CG1 4.07Å; I19-V301 HydrophobicContact CG1-CG2 4.27Å; I19-V301 HydrophobicContact CG2-CG2 4.43Å; I299-V301 HydrophobicContact CG2-CG2 3.71Å; V301-Q303 HydrophobicContact CG1-CB 4.4Å; V301-Q303 PolarHBondContact O-N 3.28Å; V301-L319 HydrophobicContact CB-CD2 4.27Å; V301-L319 HydrophobicContact CG1-CD2 3.76Å; V301-L319 HydrophobicContact CG2-CD2 3.86Å; V301-V352 CarbonylContact O-C 3.57Å; V301-V352 WeakPolarHBondContact O-CA 3.46Å; V301-V353 HydrophobicContact CB-CB 4.31Å; V301-V353 PolarHBondContact N-O 3.44Å; V301-V353 PolarHBondContact O-N 3.31Å; V301-L355 HydrophobicContact CG2-CD1 4.23Å
302E94.1Very high80.2Confident7 Ų735.1 Ų35.13%0.03321%0.208CC..EExtended strand (participates in β ladder)trans-83.2107.8163.8-77.3174.7-159.800108.7G17 K18 Y20 W247 K350 Q351 V352G17-E302 CarbonylContact C-O 3.55Å; G17-E302 WeakPolarHBondContact CA-O 3.29Å; K18-E302 HydrophobicContact CB-CB 4.17Å; K18-E302 PolarHBondContact N-O 2.86Å; K18-E302 PolarHBondContact O-N 3.02Å; Y20-E302 HydrophobicContact CE2-CG 3.94Å; Y20-E302 WeakPolarHBondContact CE2-OE1 3.31Å; Y20-E302 PolarHBondContact OH-OE1 3.17Å; W247-E302 PolarHBondContact NE1-OE1 3.08Å; E302-K350 WeakPolarHBondContact OE2-CE 3.49Å; E302-K350 IonicContact OE2-NZ 2.82Å; E302-K350 PolarHBondContact OE2-NZ 2.65Å; E302-Q351 WeakPolarHBondContact CA-O 3.26Å; E302-V352 HydrophobicContact CG-CG2 4.2Å
303Q92.3Very high81.4Confident23 Ų2336.4 Ų36.411%0.10721%0.21CC..EExtended strand (participates in β ladder)trans-113.7139.8-175-177.862.444.500111.3P16 V301 K350 Q351P16-Q303 PolarHBondContact O-NE2 3.48Å; P16-Q303 PolarHBondContact O-OE1 2.77Å; V301-Q303 HydrophobicContact CG1-CB 4.4Å; V301-Q303 PolarHBondContact O-N 3.28Å; Q303-K350 CarbonylContact O-C 3.56Å; Q303-K350 WeakPolarHBondContact O-CA 3.22Å; Q303-Q351 PolarHBondContact N-O 3.3Å; Q303-Q351 PolarHBondContact O-N 3.42Å
304W90.9Very high82.6Confident43 Ų4334.6 Ų34.616%0.16320%0.197CC..EExtended strand (participates in β ladder)trans-88.3131.8164.3-69.899.6000111I338 R340 A348 T349 K350W304-I338 HydrophobicContact CH2-CG2 3.65Å; W304-I338 HydrophobicContact CZ3-CG2 4.14Å; W304-R340 HydrophobicContact CH2-CG 3.75Å; W304-R340 HydrophobicContact CZ3-CB 4.27Å; W304-R340 HydrophobicContact CZ3-CG 3.92Å; W304-A348 HydrophobicContact CE3-CB 4.07Å; W304-A348 HydrophobicContact CZ3-CB 4.49Å; W304-T349 CarbonylContact C-O 3.54Å; W304-T349 WeakPolarHBondContact CA-O 3.32Å; W304-K350 HydrophobicContact CD2-CB 4.28Å; W304-K350 HydrophobicContact CE3-CB 4.04Å; W304-K350 HydrophobicContact CH2-CB 4.08Å; W304-K350 HydrophobicContact CZ2-CB 4.35Å; W304-K350 HydrophobicContact CZ2-CD 4.14Å; W304-K350 HydrophobicContact CZ3-CB 3.94Å
305T89.9Confident84Confident0 Ų035.2 Ų35.20%020%0.199CC..EExtended strand (participates in β ladder)trans-111.3120.4172.5-62.80000108.2I81 V312 T314 D315 A348 T349 Q351I81-T305 HydrophobicContact CG2-CG2 4.19Å; T305-V312 HydrophobicContact CG2-CG1 3.62Å; T305-T314 CarbonylContact C-O 3.38Å; T305-T314 VanDerWaalsContact CA-O 3.26Å; T305-T314 WeakPolarHBondContact CA-O 3.33Å; T305-D315 HydrophobicContact CG2-CB 4.11Å; T305-A348 CarbonylContact O-C 3.56Å; T305-A348 WeakPolarHBondContact O-CA 3.39Å; T305-T349 PolarHBondContact N-O 3.28Å; T305-T349 PolarHBondContact O-N 3.04Å; T305-Q351 PolarHBondContact OG1-OE1 3.16Å
306V89.3Confident85.4Confident24 Ų2431.6 Ų31.615%0.14518%0.175CC..EExtended strand (participates in β ladder)trans-109.4132.7-176.9-174.40000109.1I313 T314 N346 L347 A348V306-I313 HydrophobicContact CG1-CD1 3.92Å; V306-I313 PolarHBondContact O-N 3.46Å; V306-T314 WeakPolarHBondContact CB-OG1 3.49Å; V306-T314 WeakPolarHBondContact CG2-OG1 3.44Å; V306-T314 PolarHBondContact N-O 3.05Å; V306-T314 PolarHBondContact O-N 2.97Å; V306-N346 HydrophobicContact CG1-CB 3.81Å; V306-L347 CarbonylContact C-O 3.55Å; V306-L347 WeakPolarHBondContact CA-O 3.26Å; V306-A348 HydrophobicContact CG2-CB 3.97Å
307T85.1Confident86.6Confident3 Ų328.9 Ų28.92%0.01816%0.162CC..EExtended strand (participates in β ladder)trans-124125.4-179.164.70000111.1I81 D311 V312 N346 L347I81-T307 HydrophobicContact CG2-CG2 4.23Å; T307-D311 CarbonylContact C-O 3.56Å; T307-D311 WeakPolarHBondContact CA-O 3.41Å; T307-V312 HydrophobicContact CG2-CG2 4.04Å; T307-N346 WeakPolarHBondContact O-CB 3.49Å; T307-L347 PolarHBondContact N-O 2.97Å; T307-L347 PolarHBondContact O-N 2.75Å; T307-L347 PolarHBondContact OG1-O 3.46Å
308E83.2Confident86.9Confident117 Ų11731.8 Ų31.855%0.54718%0.182SC..EExtended strand (participates in β ladder)trans-107112.8172.6172.2176.5-164.100108.7D311 I313 N346E308-D311 PolarHBondContact N-O 3.26Å; E308-D311 PolarHBondContact O-N 3.27Å; E308-I313 HydrophobicContact CB-CD1 3.25Å; E308-I313 HydrophobicContact CB-CG1 3.62Å; E308-I313 HydrophobicContact CG-CD1 4.45Å; E308-N346 WeakPolarHBondContact CB-OD1 3.41Å; E308-N346 WeakPolarHBondContact CG-OD1 3.24Å
309G72.9Confident87Confident37 Ų3733.1 Ų33.138%0.38119%0.189SC..THydrogen-bonded Turntrans52.4-129.9-171.900000110.3F93 D311F93-G309 WeakPolarHBondContact CE1-O 3.3Å; F93-G309 WeakPolarHBondContact CE2-O 3.2Å; F93-G309 WeakPolarHBondContact CZ-O 3.42Å; G309-D311 VanDerWaalsContact C-N 3.3Å; G309-D311 PolarHBondContact O-N 3.21Å
310P65.1Low87.1Confident37 Ų3733 Ų3324%0.2419%0.189CC..THydrogen-bonded Turntrans-74.2-17.317933.6-34.9000114.3R49 I52R49-P310 HydrophobicContact CB-CB 4.1Å; R49-P310 HydrophobicContact CG-CB 4.09Å; R49-P310 VanDerWaalsContact NH1-CA 3.27Å; I52-P310 HydrophobicContact CD1-CB 4.1Å; I52-P310 WeakPolarHBondContact CD1-O 3.39Å
311D76.6Confident87Confident65 Ų6537.2 Ų37.235%0.34821%0.208SC..EExtended strand (participates in β ladder)trans-94.6139.1-166-65.7-54.1000112T51 T307 E308 G309T51-D311 WeakPolarHBondContact CB-OD1 3.39Å; T51-D311 VanDerWaalsContact CG2-OD1 3.22Å; T51-D311 WeakPolarHBondContact CG2-OD1 3.42Å; T51-D311 PolarHBondContact OG1-OD1 2.77Å; T307-D311 CarbonylContact C-O 3.56Å; T307-D311 WeakPolarHBondContact CA-O 3.41Å; E308-D311 PolarHBondContact N-O 3.26Å; E308-D311 PolarHBondContact O-N 3.27Å; G309-D311 VanDerWaalsContact C-N 3.3Å; G309-D311 PolarHBondContact O-N 3.21Å
312V82.4Confident87Confident33 Ų3341.2 Ų41.220%0.223%0.233CC..EExtended strand (participates in β ladder)trans-83.3114.6168.6-174.20000108.1D42 I81 T305 T307 D315D42-V312 WeakPolarHBondContact OD2-CG2 3.15Å; I81-V312 HydrophobicContact CD1-CG2 4Å; T305-V312 HydrophobicContact CG2-CG1 3.62Å; T307-V312 HydrophobicContact CG2-CG2 4.04Å; V312-D315 HydrophobicContact CG1-CB 4.06Å
313I80.6Confident87Confident79 Ų7941.7 Ų41.741%0.40524%0.235SC..EExtended strand (participates in β ladder)trans-82.3-45.1-175.5-45.8170.8000110.5V306 E308V306-I313 HydrophobicContact CG1-CD1 3.92Å; V306-I313 PolarHBondContact O-N 3.46Å; E308-I313 HydrophobicContact CB-CD1 3.25Å; E308-I313 HydrophobicContact CB-CG1 3.62Å; E308-I313 HydrophobicContact CG-CD1 4.45Å
314T82.1Confident87.1Confident67 Ų6740.6 Ų40.641%0.41123%0.23SC..EExtended strand (participates in β ladder)trans-141.8138.8-175.963.20000110.1T305 V306T305-T314 CarbonylContact C-O 3.38Å; T305-T314 VanDerWaalsContact CA-O 3.26Å; T305-T314 WeakPolarHBondContact CA-O 3.33Å; V306-T314 WeakPolarHBondContact CB-OG1 3.49Å; V306-T314 WeakPolarHBondContact CG2-OG1 3.44Å; V306-T314 PolarHBondContact N-O 3.05Å; V306-T314 PolarHBondContact O-N 2.97Å
315D87.5Confident87.2Confident35 Ų3542.7 Ų42.719%0.18724%0.242CC..  trans-157.9-172.1178.462.124000112.3R98 T305 V312 G317 P318R98-D315 IonicContact CZ-OD2 2.93Å; R98-D315 VanDerWaalsContact NH1-CB 3.31Å; R98-D315 VanDerWaalsContact NH1-CG 3.3Å; R98-D315 IonicContact NH1-OD2 3.7Å; R98-D315 PolarHBondContact NH1-OD2 2.75Å; R98-D315 IonicContact NH2-OD2 3.77Å; R98-D315 PolarHBondContact NH2-OD2 2.74Å; T305-D315 HydrophobicContact CG2-CB 4.11Å; V312-D315 HydrophobicContact CG1-CB 4.06Å; D315-G317 PolarHBondContact O-N 2.93Å; D315-G317 WeakPolarHBondContact OD1-CA 3.49Å; D315-G317 PolarHBondContact OD1-N 2.97Å; D315-P318 WeakPolarHBondContact OD1-CD 3.32Å
316Y92.4Very high87.3Confident1 Ų144.7 Ų44.70%0.00425%0.251CS..SBendtrans-73.2-4.7176.455.4-106.6000114.1L40 H79 R98 V100 L319 L320 V333 Q351 V353L40-Y316 HydrophobicContact CD2-CD2 4.38Å; L40-Y316 HydrophobicContact CD2-CE2 3.92Å; H79-Y316 AromaticContact NE2-CE1 3.91Å; H79-Y316 AromaticContact NE2-CZ 3.71Å; H79-Y316 PolarHBondContact NE2-OH 2.87Å; R98-Y316 WeakPolarHBondContact CD-OH 3.43Å; V100-Y316 HydrophobicContact CG2-CE2 4.19Å; V100-Y316 VanDerWaalsContact CG2-OH 3.24Å; V100-Y316 WeakPolarHBondContact CG2-OH 3.47Å; Y316-L319 WeakPolarHBondContact O-CB 3.35Å; Y316-L319 PolarHBondContact O-N 3.09Å; Y316-L319 VanDerWaalsContact O-N 3.16Å; Y316-L320 HydrophobicContact CD2-CD1 3.36Å; Y316-L320 HydrophobicContact CD2-CD2 4.5Å; Y316-L320 HydrophobicContact CD2-CG 3.68Å; Y316-L320 HydrophobicContact CE2-CD1 3.43Å; Y316-L320 VanDerWaalsContact CE2-CD1 3.43Å; Y316-L320 HydrophobicContact CE2-CG 4.26Å; Y316-L320 WeakPolarHBondContact O-CG 3.35Å; Y316-L320 PolarHBondContact O-N 2.76Å; Y316-V333 HydrophobicContact CE1-CG1 4.38Å; Y316-Q351 VanDerWaalsContact CE1-OE1 3.28Å; Y316-V353 HydrophobicContact CD1-CG2 3.61Å; Y316-V353 HydrophobicContact CE1-CG2 4.14Å; Y316-V353 HydrophobicContact CG-CG2 3.91Å
317G93.1Very high87.4Confident4 Ų443.6 Ų43.64%0.04125%0.245CC..Hα-helixtrans-56.1-53.2-173.400000113.7D315 L319 L320 H321D315-G317 PolarHBondContact O-N 2.93Å; D315-G317 WeakPolarHBondContact OD1-CA 3.49Å; D315-G317 PolarHBondContact OD1-N 2.97Å; G317-L319 VanDerWaalsContact C-N 3.25Å; G317-L319 PolarHBondContact O-N 3.07Å; G317-L320 WeakPolarHBondContact O-CB 3.41Å; G317-L320 PolarHBondContact O-N 2.93Å; G317-L320 VanDerWaalsContact O-N 3.11Å; G317-H321 PolarHBondContact O-CD2 2.86Å; G317-H321 PolarHBondContact O-N 2.91Å
318P93.6Very high87.8Confident87 Ų8743.5 Ų43.557%0.56524%0.244SC*.Hα-helixtrans-57.8-36.5176.1-26.235.6000113.6D315 T322D315-P318 WeakPolarHBondContact OD1-CD 3.32Å; P318-T322 PolarHBondContact O-N 2.99Å; P318-T322 VanDerWaalsContact O-N 3.08Å; P318-T322 PolarHBondContact O-OG1 3.24Å
319L92.9Very high88.3Confident28 Ų2839.1 Ų39.115%0.14722%0.224CC..Hα-helixtrans-66-45175.4179.164.8000111V301 Y316 G317 H321 T322 L323 M438V301-L319 HydrophobicContact CB-CD2 4.27Å; V301-L319 HydrophobicContact CG1-CD2 3.76Å; V301-L319 HydrophobicContact CG2-CD2 3.86Å; Y316-L319 WeakPolarHBondContact O-CB 3.35Å; Y316-L319 PolarHBondContact O-N 3.09Å; Y316-L319 VanDerWaalsContact O-N 3.16Å; G317-L319 VanDerWaalsContact C-N 3.25Å; G317-L319 PolarHBondContact O-N 3.07Å; L319-H321 PolarHBondContact O-N 2.94Å; L319-T322 PolarHBondContact O-N 3.38Å; L319-L323 HydrophobicContact CD1-CD1 4.01Å; L319-L323 HydrophobicContact CD1-CG 4.11Å; L319-L323 HydrophobicContact CG-CD1 3.97Å; L319-L323 HydrophobicContact CG-CG 4.42Å; L319-L323 WeakPolarHBondContact O-CG 2.98Å; L319-L323 PolarHBondContact O-N 3.44Å; L319-M438 HydrophobicContact CD1-CE 4.47Å
320L94.6Very high89.4Confident2 Ų237.4 Ų37.41%0.0121%0.206CC..Hα-helixtrans-58.1-47.9175.6-70.6-173.8000111.5Y38 V100 Y316 G317 T322 L323 A324 L330 V353 L355Y38-L320 HydrophobicContact CD2-CB 4.2Å; Y38-L320 HydrophobicContact CE2-CB 4.39Å; Y38-L320 HydrophobicContact CG-CB 4.49Å; V100-L320 HydrophobicContact CG1-CD1 4.28Å; Y316-L320 HydrophobicContact CD2-CD1 3.36Å; Y316-L320 HydrophobicContact CD2-CD2 4.5Å; Y316-L320 HydrophobicContact CD2-CG 3.68Å; Y316-L320 HydrophobicContact CE2-CD1 3.43Å; Y316-L320 VanDerWaalsContact CE2-CD1 3.43Å; Y316-L320 HydrophobicContact CE2-CG 4.26Å; Y316-L320 WeakPolarHBondContact O-CG 3.35Å; Y316-L320 PolarHBondContact O-N 2.76Å; G317-L320 WeakPolarHBondContact O-CB 3.41Å; G317-L320 PolarHBondContact O-N 2.93Å; G317-L320 VanDerWaalsContact O-N 3.11Å; L320-T322 VanDerWaalsContact C-N 3.27Å; L320-T322 PolarHBondContact O-N 2.79Å; L320-L323 PolarHBondContact O-N 2.73Å; L320-A324 VanDerWaalsContact O-CB 3.27Å; L320-A324 WeakPolarHBondContact O-CB 3.46Å; L320-A324 PolarHBondContact O-N 2.87Å; L320-L330 HydrophobicContact CD1-CD2 4.04Å; L320-L330 HydrophobicContact CD2-CB 4.29Å; L320-L330 HydrophobicContact CD2-CD1 4.37Å; L320-V353 HydrophobicContact CD2-CG1 4.32Å; L320-L355 HydrophobicContact CD2-CD1 4.48Å; L320-L355 HydrophobicContact CD2-CD2 3.67Å; L320-L355 HydrophobicContact CD2-CG 4.27Å
321H94.4Very high90.7Very high89 Ų8936.2 Ų36.241%0.41220%0.198SC..Hα-helixtrans-58.9-39.2177.5-74.7-67.3000112.5Y38 G317 L319 A324Y38-H321 PolarHBondContact O-CE1 3.17Å; Y38-H321 VanDerWaalsContact O-CE1 3.25Å; G317-H321 PolarHBondContact O-CD2 2.86Å; G317-H321 PolarHBondContact O-N 2.91Å; L319-H321 PolarHBondContact O-N 2.94Å; H321-A324 WeakPolarHBondContact O-CB 3.11Å
322T94.4Very high91.6Very high85 Ų8533.3 Ų33.352%0.52118%0.183SC..Hα-helixtrans-67.2-47.9177.7-570000111.6P318 L319 L320 A324 E325 F326P318-T322 PolarHBondContact O-N 2.99Å; P318-T322 VanDerWaalsContact O-N 3.08Å; P318-T322 PolarHBondContact O-OG1 3.24Å; L319-T322 PolarHBondContact O-N 3.38Å; L320-T322 VanDerWaalsContact C-N 3.27Å; L320-T322 PolarHBondContact O-N 2.79Å; T322-A324 VanDerWaalsContact C-N 3.27Å; T322-A324 PolarHBondContact O-N 3.31Å; T322-E325 PolarHBondContact O-N 2.9Å; T322-F326 WeakPolarHBondContact O-CD2 3.47Å
323L94.1Very high92.3Very high16 Ų1632.1 Ų32.18%0.08418%0.176CC..Hα-helixtrans-68.9-27.6179.6-67.1177.5000112.1V28 I299 L319 L320 E325 F326 G327 W328 L355V28-L323 HydrophobicContact CG1-CD2 3.93Å; I299-L323 HydrophobicContact CD1-CD1 4.39Å; I299-L323 HydrophobicContact CD1-CD2 4.24Å; L319-L323 HydrophobicContact CD1-CD1 4.01Å; L319-L323 HydrophobicContact CD1-CG 4.11Å; L319-L323 HydrophobicContact CG-CD1 3.97Å; L319-L323 HydrophobicContact CG-CG 4.42Å; L319-L323 WeakPolarHBondContact O-CG 2.98Å; L319-L323 PolarHBondContact O-N 3.44Å; L320-L323 PolarHBondContact O-N 2.73Å; L323-E325 VanDerWaalsContact C-N 3.26Å; L323-E325 PolarHBondContact O-N 3.19Å; L323-F326 PolarHBondContact O-N 3.29Å; L323-G327 PolarHBondContact O-N 3.21Å; L323-W328 HydrophobicContact CB-CB 3.79Å; L323-W328 HydrophobicContact CB-CG 4.07Å; L323-W328 WeakPolarHBondContact O-CB 3.35Å; L323-W328 PolarHBondContact O-N 2.88Å; L323-L355 HydrophobicContact CB-CD2 4.28Å; L323-L355 HydrophobicContact CD1-CD1 4.3Å; L323-L355 HydrophobicContact CD1-CD2 3.8Å
324A93.6Very high93Very high1 Ų128.5 Ų28.51%0.00816%0.157CC..Hα-helixtrans-58.4-36.5177.400000112.9V35 Y36 Y38 L320 H321 T322 F326 G327V35-A324 WeakPolarHBondContact CA-O 3.37Å; V35-A324 WeakPolarHBondContact CG1-O 2.89Å; Y36-A324 PolarHBondContact N-O 2.77Å; Y36-A324 WeakPolarHBondContact O-CB 3.41Å; Y38-A324 HydrophobicContact CD2-CB 3.79Å; Y38-A324 HydrophobicContact CE2-CB 3.56Å; L320-A324 VanDerWaalsContact O-CB 3.27Å; L320-A324 WeakPolarHBondContact O-CB 3.46Å; L320-A324 PolarHBondContact O-N 2.87Å; H321-A324 WeakPolarHBondContact O-CB 3.11Å; T322-A324 VanDerWaalsContact C-N 3.27Å; T322-A324 PolarHBondContact O-N 3.31Å; A324-F326 PolarHBondContact O-N 3.04Å; A324-G327 WeakPolarHBondContact O-CA 3.44Å; A324-G327 PolarHBondContact O-N 3.4Å
325E93.1Very high93.5Very high87 Ų8726.2 Ų26.241%0.40714%0.143SC..THydrogen-bonded Turntrans-64.4-17.9177.7-65.9-61.314400113R105 T322 L323R105-E325 IonicContact CZ-OE1 2.81Å; R105-E325 VanDerWaalsContact CZ-OE1 3.29Å; R105-E325 IonicContact NH1-OE1 3.13Å; R105-E325 PolarHBondContact NH1-OE1 2.83Å; R105-E325 IonicContact NH1-OE2 3.85Å; R105-E325 PolarHBondContact NH1-OE2 3.37Å; R105-E325 VanDerWaalsContact NH1-OE2 3.08Å; R105-E325 IonicContact NH2-OE1 3.73Å; R105-E325 PolarHBondContact NH2-OE1 2.85Å; T322-E325 PolarHBondContact O-N 2.9Å; L323-E325 VanDerWaalsContact C-N 3.26Å; L323-E325 PolarHBondContact O-N 3.19Å
326F91.9Very high93.7Very high41 Ų4124.6 Ų24.618%0.1814%0.135CC..THydrogen-bonded Turntrans-103.97.1174.1-52.3-73.1000112.5E29 K31 T32 T322 L323 A324E29-F326 VanDerWaalsContact CA-CD1 3.5Å; E29-F326 HydrophobicContact CB-CD1 4.12Å; E29-F326 HydrophobicContact CB-CE1 3.79Å; E29-F326 HydrophobicContact CB-CE2 4.42Å; E29-F326 HydrophobicContact CB-CZ 3.95Å; E29-F326 HydrophobicContact CG-CE1 4.36Å; E29-F326 HydrophobicContact CG-CE2 4.16Å; E29-F326 HydrophobicContact CG-CZ 4.01Å; E29-F326 WeakPolarHBondContact O-CD1 3.41Å; E29-F326 VanDerWaalsContact O-CE1 3.23Å; E29-F326 WeakPolarHBondContact O-CE1 3.39Å; K31-F326 HydrophobicContact CG-CD1 4.48Å; T32-F326 WeakPolarHBondContact CG2-O 3.38Å; T32-F326 PolarHBondContact OG1-O 3.19Å; T322-F326 WeakPolarHBondContact O-CD2 3.47Å; L323-F326 PolarHBondContact O-N 3.29Å; A324-F326 PolarHBondContact O-N 3.04Å
327G91.1Very high93.6Very high2 Ų225 Ų252%0.02114%0.138CC..THydrogen-bonded Turntrans78.922.617600000115.3T32 T34 L323 A324 P358T32-G327 VanDerWaalsContact OG1-CA 3.28Å; T32-G327 WeakPolarHBondContact OG1-CA 3.47Å; T34-G327 WeakPolarHBondContact O-CA 3.31Å; L323-G327 PolarHBondContact O-N 3.21Å; A324-G327 WeakPolarHBondContact O-CA 3.44Å; A324-G327 PolarHBondContact O-N 3.4Å; G327-P358 WeakPolarHBondContact O-CD 3.39Å
328W93.7Very high93.4Very high0 Ų025 Ų250%014%0.137CC..PPolyproline II helixtrans-74.3128.1169.6-68.995.8000110.7L23 V28 Y38 D297 I299 L323 L355 R357L23-W328 HydrophobicContact CD1-CH2 3.72Å; L23-W328 HydrophobicContact CD1-CZ2 3.72Å; V28-W328 HydrophobicContact CG1-CZ2 4.4Å; V28-W328 HydrophobicContact CG2-CZ2 4.41Å; V28-W328 PolarHBondContact O-NE1 3.32Å; Y38-W328 PolarHBondContact OH-O 3.34Å; D297-W328 HydrophobicContact CB-CH2 3.92Å; D297-W328 HydrophobicContact CB-CZ3 4.37Å; I299-W328 HydrophobicContact CB-CE3 4.44Å; I299-W328 HydrophobicContact CB-CZ3 4.2Å; I299-W328 HydrophobicContact CD1-CD2 3.66Å; I299-W328 HydrophobicContact CD1-CE3 3.89Å; I299-W328 HydrophobicContact CD1-CG 4.38Å; I299-W328 HydrophobicContact CD1-CH2 3.64Å; I299-W328 HydrophobicContact CD1-CZ2 3.4Å; I299-W328 HydrophobicContact CD1-CZ3 3.88Å; I299-W328 HydrophobicContact CG1-CD2 4.4Å; I299-W328 HydrophobicContact CG1-CE3 4.13Å; I299-W328 HydrophobicContact CG1-CH2 3.56Å; I299-W328 HydrophobicContact CG1-CZ2 3.86Å; I299-W328 HydrophobicContact CG1-CZ3 3.7Å; L323-W328 HydrophobicContact CB-CB 3.79Å; L323-W328 HydrophobicContact CB-CG 4.07Å; L323-W328 WeakPolarHBondContact O-CB 3.35Å; L323-W328 PolarHBondContact O-N 2.88Å; W328-L355 HydrophobicContact CB-CB 4.48Å; W328-L355 HydrophobicContact CB-CD2 3.89Å; W328-L355 HydrophobicContact CE3-CB 3.97Å; W328-R357 HydrophobicContact CD2-CG 3.93Å; W328-R357 HydrophobicContact CE3-CG 3.99Å; W328-R357 HydrophobicContact CG-CG 4.47Å; W328-R357 HydrophobicContact CH2-CG 4.34Å; W328-R357 HydrophobicContact CZ2-CG 4.28Å; W328-R357 VanDerWaalsContact CZ2-NH1 3.31Å; W328-R357 HydrophobicContact CZ3-CG 4.2Å
329L93.5Very high93.1Very high25 Ų2522.8 Ų22.813%0.13112%0.12CC..EExtended strand (participates in β ladder)trans-103.9129.7175.9-174.861.7000109.7Y36 Y38 V76 A102 T331 L355 Q356 P358Y36-L329 HydrophobicContact CD1-CD1 3.95Å; Y36-L329 HydrophobicContact CE1-CD1 3.95Å; Y36-L329 HydrophobicContact CE2-CB 4.28Å; Y36-L329 HydrophobicContact CG-CD1 4.3Å; Y38-L329 WeakPolarHBondContact OH-CA 3.24Å; V76-L329 HydrophobicContact CG1-CD1 4.37Å; A102-L329 HydrophobicContact CB-CD1 4.05Å; L329-T331 PolarHBondContact O-N 2.97Å; L329-L355 CarbonylContact O-C 3.56Å; L329-L355 VanDerWaalsContact O-CA 3.22Å; L329-L355 WeakPolarHBondContact O-CA 3.31Å; L329-Q356 PolarHBondContact N-O 3.24Å; L329-Q356 PolarHBondContact O-N 3.01Å; L329-P358 HydrophobicContact CB-CG 3.61Å; L329-P358 HydrophobicContact CD2-CG 3.64Å; L329-P358 HydrophobicContact CG-CG 4.28Å
330L95.8Very high92.9Very high1 Ų125.9 Ų25.91%0.00513%0.129CC..EExtended strand (participates in β ladder)trans-65.1125.5165.5175.967.7000108.7Y38 V76 A77 V100 L320 V333 V353Y38-L330 HydrophobicContact CE1-CB 3.96Å; Y38-L330 PolarHBondContact OH-N 3.05Å; V76-L330 HydrophobicContact CG2-CB 4.38Å; V76-L330 HydrophobicContact CG2-CD2 4.17Å; A77-L330 HydrophobicContact CB-CD2 3.76Å; A77-L330 HydrophobicContact CB-CG 4.39Å; V100-L330 HydrophobicContact CB-CD2 3.8Å; V100-L330 HydrophobicContact CG1-CD2 3.63Å; V100-L330 HydrophobicContact CG2-CD2 3.95Å; L320-L330 HydrophobicContact CD1-CD2 4.04Å; L320-L330 HydrophobicContact CD2-CB 4.29Å; L320-L330 HydrophobicContact CD2-CD1 4.37Å; L330-V333 HydrophobicContact CD1-CG2 3.8Å; L330-V333 HydrophobicContact CD2-CG2 4.05Å; L330-V333 HydrophobicContact CG-CG2 4.4Å; L330-V353 HydrophobicContact CD1-CG1 3.36Å
331T93.9Very high92.4Very high12 Ų1231.9 Ų31.97%0.07416%0.157CC..EExtended strand (participates in β ladder)trans-116.1-28.9-178.564.30000113.6L261 L329 F354 Q356L261-T331 WeakPolarHBondContact O-CB 3.32Å; L329-T331 PolarHBondContact O-N 2.97Å; T331-F354 PolarHBondContact N-O 3.43Å; T331-F354 PolarHBondContact OG1-O 3.35Å; T331-Q356 HydrophobicContact CG2-CB 3.91Å; T331-Q356 HydrophobicContact CG2-CG 4.06Å
332C95.8Very high91.8Very high4 Ų430.2 Ų30.23%0.02715%0.151CC..EExtended strand (participates in β ladder)trans-157.2147.6177.7-177.20000110.9L261 F354L261-C332 HydrophobicContact CD2-CB 3.66Å; L261-C332 HydrophobicContact CG-CB 3.77Å; C332-F354 HydrophobicContact CB-CB 4.19Å; C332-F354 HydrophobicContact CB-CD2 4.19Å; C332-F354 HydrophobicContact CB-CG 4.49Å; C332-F354 PolarHBondContact N-O 3.45Å; C332-F354 PolarHBondContact O-N 3.47Å
333V96.6Very high91.1Very high9 Ų931.8 Ų31.86%0.05517%0.166CC..EExtended strand (participates in β ladder)trans-125.6120.2167.9-177.50000108.2A77 Y316 L330 P335 Q351 V352A77-V333 HydrophobicContact CB-CG2 4.04Å; Y316-V333 HydrophobicContact CE1-CG1 4.38Å; L330-V333 HydrophobicContact CD1-CG2 3.8Å; L330-V333 HydrophobicContact CD2-CG2 4.05Å; L330-V333 HydrophobicContact CG-CG2 4.4Å; V333-P335 VanDerWaalsContact O-CD 3.25Å; V333-P335 WeakPolarHBondContact O-CD 3.32Å; V333-Q351 HydrophobicContact CG1-CB 4.26Å; V333-V352 WeakPolarHBondContact CA-O 3.5Å
334L95.4Very high90.6Very high2 Ų237.3 Ų37.31%0.0120%0.195CC..EExtended strand (participates in β ladder)trans-92.7108.1173173.263.9000109.2L229 M231 W247 S264 V266 V352 F354L229-L334 HydrophobicContact CD2-CD1 4.41Å; L229-L334 HydrophobicContact CD2-CD2 4.16Å; M231-L334 HydrophobicContact SD-CD2 3.98Å; W247-L334 HydrophobicContact CH2-CD2 4.03Å; W247-L334 HydrophobicContact CZ3-CD2 3.9Å; S264-L334 WeakPolarHBondContact OG-CD1 3.4Å; V266-L334 HydrophobicContact CG2-CD1 3.81Å; L334-V352 HydrophobicContact CB-CB 4.2Å; L334-V352 PolarHBondContact N-O 2.79Å; L334-V352 PolarHBondContact O-N 2.87Å; L334-F354 HydrophobicContact CB-CE2 4.13Å
335P92.8Very high90.1Very high19 Ų1939.5 Ų39.512%0.12322%0.218CC..EExtended strand (participates in β ladder)trans-69.4141.817130-35.3000110.4H79 P80 L83 V333H79-P335 HydrophobicContact CB-CG 4.46Å; P80-P335 HydrophobicContact CG-CB 4.05Å; P80-P335 HydrophobicContact CG-CG 4.05Å; L83-P335 HydrophobicContact CB-CB 4.43Å; L83-P335 HydrophobicContact CD2-CB 4.47Å; V333-P335 VanDerWaalsContact O-CD 3.25Å; V333-P335 WeakPolarHBondContact O-CD 3.32Å
336T92Very high89.8Confident1 Ų136.5 Ų36.51%0.00621%0.205CC..EExtended strand (participates in β ladder)trans-120.4151176.8860000111.2L243 I338 K350 V352L243-T336 HydrophobicContact CD2-CG2 3.79Å; T336-I338 PolarHBondContact O-N 3.42Å; T336-I338 PolarHBondContact OG1-N 3.35Å; T336-K350 WeakPolarHBondContact CB-O 3.23Å; T336-K350 WeakPolarHBondContact CG2-O 3.32Å; T336-K350 PolarHBondContact N-O 2.89Å; T336-K350 PolarHBondContact OG1-O 3.28Å; T336-V352 HydrophobicContact CG2-CG2 4.2Å
337P88.6Confident89.5Confident11 Ų1135.4 Ų35.47%0.07120%0.201CC..EExtended strand (participates in β ladder)trans-82.313.5179.137.7-40.7000112.9L83 L85 V240 W268 I339L83-P337 HydrophobicContact CD2-CB 4.33Å; L83-P337 WeakPolarHBondContact O-CA 3.39Å; L85-P337 HydrophobicContact CD1-CB 3.37Å; L85-P337 HydrophobicContact CD1-CG 3.74Å; L85-P337 HydrophobicContact CD2-CB 4.08Å; L85-P337 HydrophobicContact CG-CB 3.53Å; L85-P337 HydrophobicContact CG-CG 4.41Å; V240-P337 HydrophobicContact CB-CG 4.06Å; V240-P337 HydrophobicContact CG1-CG 4.15Å; V240-P337 HydrophobicContact CG2-CG 4.1Å; W268-P337 HydrophobicContact CD2-CG 3.92Å; W268-P337 HydrophobicContact CE3-CG 3.46Å; W268-P337 VanDerWaalsContact CE3-CG 3.46Å; W268-P337 VanDerWaalsContact CH2-CD 3.47Å; W268-P337 HydrophobicContact CH2-CG 4.18Å; W268-P337 VanDerWaalsContact CZ3-CD 3.44Å; W268-P337 HydrophobicContact CZ3-CG 3.61Å; P337-I339 PolarHBondContact O-N 2.92Å
338I89.6Confident89.4Confident3 Ų335.8 Ų35.82%0.01520%0.204CC..EExtended strand (participates in β ladder)trans-77.6114.8179.3-59.3167.6000107.4V240 L243 W304 T336 T349 K350V240-I338 HydrophobicContact CG1-CG1 4.04Å; L243-I338 HydrophobicContact CB-CD1 3.83Å; W304-I338 HydrophobicContact CH2-CG2 3.65Å; W304-I338 HydrophobicContact CZ3-CG2 4.14Å; T336-I338 PolarHBondContact O-N 3.42Å; T336-I338 PolarHBondContact OG1-N 3.35Å; I338-T349 VanDerWaalsContact O-CA 3.31Å; I338-T349 WeakPolarHBondContact O-CA 3.37Å; I338-T349 PolarHBondContact O-OG1 2.85Å; I338-K350 HydrophobicContact CB-CB 4.18Å; I338-K350 HydrophobicContact CD1-CB 4.42Å; I338-K350 HydrophobicContact CD1-CD 4.09Å; I338-K350 HydrophobicContact CG2-CB 4.47Å; I338-K350 PolarHBondContact O-N 2.88Å
339I87.4Confident89.3Confident40 Ų4035.9 Ų35.921%0.20520%0.204CC..EExtended strand (participates in β ladder)trans-123.7130.8179.7-56.2175000108.7I82 L91 P337 L347 A348I82-I339 HydrophobicContact CG2-CD1 3.81Å; I82-I339 HydrophobicContact CG2-CG1 4.5Å; L91-I339 HydrophobicContact CD1-CD1 3.57Å; P337-I339 PolarHBondContact O-N 2.92Å; I339-L347 HydrophobicContact CG2-CD2 3.85Å; I339-A348 CarbonylContact C-O 3.59Å; I339-A348 WeakPolarHBondContact CA-O 3.49Å
340R87.7Confident89.2Confident93 Ų9336.1 Ų36.135%0.35120%0.204SC..EExtended strand (participates in β ladder)trans-127.2164.6174.5-63.9-173.1-179.1-173.7-2.6109.5D13 W304 A348D13-R340 IonicContact OD1-CZ 2.71Å; D13-R340 IonicContact OD1-NH1 2.67Å; D13-R340 PolarHBondContact OD1-NH1 3.49Å; D13-R340 IonicContact OD1-NH2 3.52Å; D13-R340 PolarHBondContact OD1-NH2 2.98Å; W304-R340 HydrophobicContact CH2-CG 3.75Å; W304-R340 HydrophobicContact CZ3-CB 4.27Å; W304-R340 HydrophobicContact CZ3-CG 3.92Å; R340-A348 HydrophobicContact CB-CB 4.42Å; R340-A348 PolarHBondContact N-O 2.76Å; R340-A348 PolarHBondContact O-N 3.28Å
341H85.8Confident89.1Confident129 Ų12936 Ų3660%0.59720%0.204SC*.EExtended strand (participates in β ladder)trans-114137.8166.8-63.273.8000107.9N346 L347H341-N346 CarbonylContact C-O 3.56Å; H341-N346 VanDerWaalsContact CA-O 3.22Å; H341-N346 WeakPolarHBondContact CA-O 3.32Å; H341-L347 WeakPolarHBondContact NE2-CD2 3.43Å
342D81Confident89.2Confident53 Ų5335.6 Ų35.628%0.28320%0.201SC..  trans-78.8-17917271.89000111.5D344 G345 N346D342-D344 PolarHBondContact O-N 3.49Å; D342-D344 WeakPolarHBondContact OD1-CA 2.96Å; D342-D344 PolarHBondContact OD1-N 2.79Å; D342-G345 PolarHBondContact O-N 3.3Å; D342-G345 VanDerWaalsContact O-N 3.17Å; D342-G345 PolarHBondContact OD1-N 3.41Å; D342-N346 PolarHBondContact N-O 2.77Å; D342-N346 WeakPolarHBondContact OD1-CB 3.36Å; D342-N346 PolarHBondContact OD1-N 3.28Å; D342-N346 PolarHBondContact OD1-ND2 3.5Å; D342-N346 VanDerWaalsContact OD2-CB 3.29Å; D342-N346 WeakPolarHBondContact OD2-CB 3.46Å; D342-N346 PolarHBondContact OD2-ND2 3.34Å
343S80.6Confident89.2Confident118 Ų11835.5 Ų35.583%0.82520%0.2SC*.THydrogen-bonded Turntrans-62.3-24.6178.948.50000114
344D82.6Confident89.2Confident132 Ų13235 Ų3571%0.70620%0.198SC*.THydrogen-bonded Turntrans-92.6-6-178.4-59.4-50.6000111.8D342D342-D344 PolarHBondContact O-N 3.49Å; D342-D344 WeakPolarHBondContact OD1-CA 2.96Å; D342-D344 PolarHBondContact OD1-N 2.79Å
345G83Confident89.1Confident47 Ų4735 Ų3549%0.48520%0.197SC..SBendtrans90.38.1178.700000114.3D342D342-G345 PolarHBondContact O-N 3.3Å; D342-G345 VanDerWaalsContact O-N 3.17Å; D342-G345 PolarHBondContact OD1-N 3.41Å
346N86.3Confident89Confident25 Ų2535 Ų3513%0.13420%0.196CC..  trans-72150.2175.9-53.2-52.3000110.9V306 T307 E308 H341 D342V306-N346 HydrophobicContact CG1-CB 3.81Å; T307-N346 WeakPolarHBondContact O-CB 3.49Å; E308-N346 WeakPolarHBondContact CB-OD1 3.41Å; E308-N346 WeakPolarHBondContact CG-OD1 3.24Å; H341-N346 CarbonylContact C-O 3.56Å; H341-N346 VanDerWaalsContact CA-O 3.22Å; H341-N346 WeakPolarHBondContact CA-O 3.32Å; D342-N346 PolarHBondContact N-O 2.77Å; D342-N346 WeakPolarHBondContact OD1-CB 3.36Å; D342-N346 PolarHBondContact OD1-N 3.28Å; D342-N346 PolarHBondContact OD1-ND2 3.5Å; D342-N346 VanDerWaalsContact OD2-CB 3.29Å; D342-N346 WeakPolarHBondContact OD2-CB 3.46Å; D342-N346 PolarHBondContact OD2-ND2 3.34Å
347L87.1Confident88.7Confident18 Ų1836.5 Ų36.59%0.09420%0.201CC..EExtended strand (participates in β ladder)trans-82.1128.7177.9-72.6167.7000109.9I82 P92 F93 V306 T307 I339 H341I82-L347 HydrophobicContact CD1-CB 4.4Å; I82-L347 HydrophobicContact CD1-CD1 4.16Å; P92-L347 HydrophobicContact CG-CD1 4.16Å; F93-L347 HydrophobicContact CD2-CD1 3.77Å; F93-L347 HydrophobicContact CE2-CD1 3.95Å; V306-L347 CarbonylContact C-O 3.55Å; V306-L347 WeakPolarHBondContact CA-O 3.26Å; T307-L347 PolarHBondContact N-O 2.97Å; T307-L347 PolarHBondContact O-N 2.75Å; T307-L347 PolarHBondContact OG1-O 3.46Å; I339-L347 HydrophobicContact CG2-CD2 3.85Å; H341-L347 WeakPolarHBondContact NE2-CD2 3.43Å
348A88.8Confident88.1Confident10 Ų1038.6 Ų38.68%0.08322%0.215CC..EExtended strand (participates in β ladder)trans-118.7128.8174.700000110.1W304 T305 V306 I339 R340W304-A348 HydrophobicContact CE3-CB 4.07Å; W304-A348 HydrophobicContact CZ3-CB 4.49Å; T305-A348 CarbonylContact O-C 3.56Å; T305-A348 WeakPolarHBondContact O-CA 3.39Å; V306-A348 HydrophobicContact CG2-CB 3.97Å; I339-A348 CarbonylContact C-O 3.59Å; I339-A348 WeakPolarHBondContact CA-O 3.49Å; R340-A348 HydrophobicContact CB-CB 4.42Å; R340-A348 PolarHBondContact N-O 2.76Å; R340-A348 PolarHBondContact O-N 3.28Å
349T90.3Very high86.8Confident1 Ų141.6 Ų41.61%0.00623%0.233CC..EExtended strand (participates in β ladder)trans-124.5146.1178.5176.40000111I81 I82 W304 T305 I338I81-T349 VanDerWaalsContact O-CG2 3.3Å; I81-T349 WeakPolarHBondContact O-CG2 3.26Å; I82-T349 HydrophobicContact CG1-CG2 4.41Å; W304-T349 CarbonylContact C-O 3.54Å; W304-T349 WeakPolarHBondContact CA-O 3.32Å; T305-T349 PolarHBondContact N-O 3.28Å; T305-T349 PolarHBondContact O-N 3.04Å; I338-T349 VanDerWaalsContact O-CA 3.31Å; I338-T349 WeakPolarHBondContact O-CA 3.37Å; I338-T349 PolarHBondContact O-OG1 2.85Å
350K91.8Very high85.3Confident30 Ų3046.6 Ų46.613%0.1325%0.25CC..EExtended strand (participates in β ladder)trans-97.5136.4-179.8-165.4177.3-178.6-177.40110.8E302 Q303 W304 T336 I338E302-K350 WeakPolarHBondContact OE2-CE 3.49Å; E302-K350 IonicContact OE2-NZ 2.82Å; E302-K350 PolarHBondContact OE2-NZ 2.65Å; Q303-K350 CarbonylContact O-C 3.56Å; Q303-K350 WeakPolarHBondContact O-CA 3.22Å; W304-K350 HydrophobicContact CD2-CB 4.28Å; W304-K350 HydrophobicContact CE3-CB 4.04Å; W304-K350 HydrophobicContact CH2-CB 4.08Å; W304-K350 HydrophobicContact CZ2-CB 4.35Å; W304-K350 HydrophobicContact CZ2-CD 4.14Å; W304-K350 HydrophobicContact CZ3-CB 3.94Å; T336-K350 WeakPolarHBondContact CB-O 3.23Å; T336-K350 WeakPolarHBondContact CG2-O 3.32Å; T336-K350 PolarHBondContact N-O 2.89Å; T336-K350 PolarHBondContact OG1-O 3.28Å; I338-K350 HydrophobicContact CB-CB 4.18Å; I338-K350 HydrophobicContact CD1-CB 4.42Å; I338-K350 HydrophobicContact CD1-CD 4.09Å; I338-K350 HydrophobicContact CG2-CB 4.47Å; I338-K350 PolarHBondContact O-N 2.88Å
351Q93.6Very high83.1Confident0 Ų045 Ų450%025%0.253CS..EExtended strand (participates in β ladder)trans-128.9149.7176.1-68.4162.6-9.600109.1H79 I81 E302 Q303 T305 Y316 V333H79-Q351 PolarHBondContact CE1-NE2 2.97Å; I81-Q351 PolarHBondContact O-NE2 3.23Å; I81-Q351 VanDerWaalsContact O-NE2 3.13Å; E302-Q351 WeakPolarHBondContact CA-O 3.26Å; Q303-Q351 PolarHBondContact N-O 3.3Å; Q303-Q351 PolarHBondContact O-N 3.42Å; T305-Q351 PolarHBondContact OG1-OE1 3.16Å; Y316-Q351 VanDerWaalsContact CE1-OE1 3.28Å; V333-Q351 HydrophobicContact CG1-CB 4.26Å
352V95.6Very high80.6Confident2 Ų243.9 Ų43.91%0.01226%0.259CS..EExtended strand (participates in β ladder)trans-110.7119.4173.6-169.40000108.6W247 V300 V301 E302 V333 L334 T336 F354W247-V352 HydrophobicContact CD2-CG1 4.12Å; W247-V352 HydrophobicContact CE3-CG1 4.42Å; W247-V352 HydrophobicContact CG-CG1 4.5Å; W247-V352 HydrophobicContact CH2-CG2 4.06Å; W247-V352 HydrophobicContact CZ2-CG1 4.4Å; W247-V352 HydrophobicContact CZ2-CG2 3.82Å; V300-V352 HydrophobicContact CG1-CG1 3.42Å; V300-V352 VanDerWaalsContact CG1-CG1 3.42Å; V301-V352 CarbonylContact O-C 3.57Å; V301-V352 WeakPolarHBondContact O-CA 3.46Å; E302-V352 HydrophobicContact CG-CG2 4.2Å; V333-V352 WeakPolarHBondContact CA-O 3.5Å; L334-V352 HydrophobicContact CB-CB 4.2Å; L334-V352 PolarHBondContact N-O 2.79Å; L334-V352 PolarHBondContact O-N 2.87Å; T336-V352 HydrophobicContact CG2-CG2 4.2Å; V352-F354 HydrophobicContact CB-CE2 4.12Å; V352-F354 HydrophobicContact CG1-CD2 4.49Å; V352-F354 HydrophobicContact CG1-CE2 3.72Å; V352-F354 HydrophobicContact CG1-CZ 3.75Å
353V96.3Very high78.1Confident2 Ų247.2 Ų47.21%0.01228%0.282CS..EExtended strand (participates in β ladder)trans-108.8125.6-171.9-174.80000108.8V300 V301 Y316 L320 L330 L355V300-V353 CarbonylContact C-O 3.51Å; V300-V353 WeakPolarHBondContact CA-O 3.49Å; V301-V353 HydrophobicContact CB-CB 4.31Å; V301-V353 PolarHBondContact N-O 3.44Å; V301-V353 PolarHBondContact O-N 3.31Å; Y316-V353 HydrophobicContact CD1-CG2 3.61Å; Y316-V353 HydrophobicContact CE1-CG2 4.14Å; Y316-V353 HydrophobicContact CG-CG2 3.91Å; L320-V353 HydrophobicContact CD2-CG1 4.32Å; L330-V353 HydrophobicContact CD1-CG1 3.36Å; V353-L355 HydrophobicContact CG1-CD1 3.92Å
354F96.3Very high75.8Confident0 Ų047.3 Ų47.30%028%0.28CS..EExtended strand (participates in β ladder)trans-108.5126.5-179.5-62.2-96.9000110W247 T251 L261 F284 V300 T331 C332 L334 V352W247-F354 HydrophobicContact CB-CE1 4.36Å; W247-F354 AromaticContact CE3-CZ 3.96Å; W247-F354 HydrophobicContact CE3-CZ 3.96Å; T251-F354 HydrophobicContact CG2-CD1 4.49Å; T251-F354 HydrophobicContact CG2-CE1 4.21Å; L261-F354 HydrophobicContact CD2-CB 3.99Å; L261-F354 HydrophobicContact CD2-CD1 3.77Å; L261-F354 HydrophobicContact CD2-CD2 3.99Å; L261-F354 HydrophobicContact CD2-CE1 4.26Å; L261-F354 HydrophobicContact CD2-CE2 4.44Å; L261-F354 HydrophobicContact CD2-CG 3.64Å; F284-F354 HydrophobicContact CE1-CZ 4.3Å; F284-F354 HydrophobicContact CZ-CE1 4.35Å; F284-F354 AromaticContact CZ-CZ 3.94Å; F284-F354 HydrophobicContact CZ-CZ 3.94Å; V300-F354 HydrophobicContact CB-CD1 4.44Å; V300-F354 HydrophobicContact CB-CE1 4.48Å; V300-F354 HydrophobicContact CG1-CD1 4.08Å; V300-F354 HydrophobicContact CG1-CE1 3.82Å; V300-F354 HydrophobicContact CG1-CZ 4.17Å; V300-F354 HydrophobicContact CG2-CD1 3.62Å; V300-F354 HydrophobicContact CG2-CE1 3.79Å; T331-F354 PolarHBondContact N-O 3.43Å; T331-F354 PolarHBondContact OG1-O 3.35Å; C332-F354 HydrophobicContact CB-CB 4.19Å; C332-F354 HydrophobicContact CB-CD2 4.19Å; C332-F354 HydrophobicContact CB-CG 4.49Å; C332-F354 PolarHBondContact N-O 3.45Å; C332-F354 PolarHBondContact O-N 3.47Å; L334-F354 HydrophobicContact CB-CE2 4.13Å; V352-F354 HydrophobicContact CB-CE2 4.12Å; V352-F354 HydrophobicContact CG1-CD2 4.49Å; V352-F354 HydrophobicContact CG1-CE2 3.72Å; V352-F354 HydrophobicContact CG1-CZ 3.75Å
355L94.4Very high73.3Confident1 Ų144.1 Ų44.11%0.00528%0.278CS..EExtended strand (participates in β ladder)trans-123.4142.2175.5-58.395.5000111.1T298 I299 V301 L320 L323 W328 L329 V353T298-L355 WeakPolarHBondContact CA-O 3.41Å; I299-L355 HydrophobicContact CB-CB 4.36Å; I299-L355 HydrophobicContact CB-CD1 4.46Å; I299-L355 HydrophobicContact CG2-CD1 4.25Å; I299-L355 PolarHBondContact N-O 2.72Å; I299-L355 PolarHBondContact O-N 3.13Å; V301-L355 HydrophobicContact CG2-CD1 4.23Å; L320-L355 HydrophobicContact CD2-CD1 4.48Å; L320-L355 HydrophobicContact CD2-CD2 3.67Å; L320-L355 HydrophobicContact CD2-CG 4.27Å; L323-L355 HydrophobicContact CB-CD2 4.28Å; L323-L355 HydrophobicContact CD1-CD1 4.3Å; L323-L355 HydrophobicContact CD1-CD2 3.8Å; W328-L355 HydrophobicContact CB-CB 4.48Å; W328-L355 HydrophobicContact CB-CD2 3.89Å; W328-L355 HydrophobicContact CE3-CB 3.97Å; L329-L355 CarbonylContact O-C 3.56Å; L329-L355 VanDerWaalsContact O-CA 3.22Å; L329-L355 WeakPolarHBondContact O-CA 3.31Å; V353-L355 HydrophobicContact CG1-CD1 3.92Å
356Q91Very high70.7Confident19 Ų1952.3 Ų52.39%0.08930%0.296CS..EExtended strand (participates in β ladder)trans-134.2154.5174.2-58.7-171.6-91.900110.2Y255 S260 L329 T331 P358Y255-Q356 VanDerWaalsContact CE1-CD 3.43Å; Y255-Q356 VanDerWaalsContact CZ-CD 3.46Å; S260-Q356 PolarHBondContact OG-OE1 2.6Å; L329-Q356 PolarHBondContact N-O 3.24Å; L329-Q356 PolarHBondContact O-N 3.01Å; T331-Q356 HydrophobicContact CG2-CB 3.91Å; T331-Q356 HydrophobicContact CG2-CG 4.06Å; Q356-P358 WeakPolarHBondContact O-CD 3.31Å
357R85.3Confident68.1Low32 Ų3256.2 Ų56.212%0.12132%0.322CS..PPolyproline II helixtrans-85.6123.4168-79.6-164.3-79.6-117.69.2109.9Q27 V28 D297 W328 V359Q27-R357 PolarHBondContact O-NH1 2.86Å; Q27-R357 PolarHBondContact O-NH2 2.8Å; Q27-R357 VanDerWaalsContact O-NH2 3.12Å; V28-R357 PolarHBondContact O-NH1 3.19Å; D297-R357 HydrophobicContact CB-CB 4.36Å; D297-R357 VanDerWaalsContact CG-NH2 3.34Å; D297-R357 IonicContact OD1-NH2 2.92Å; D297-R357 IonicContact OD2-CZ 3.81Å; D297-R357 IonicContact OD2-NE 3.08Å; D297-R357 PolarHBondContact OD2-NE 3.17Å; D297-R357 IonicContact OD2-NH2 2.73Å; D297-R357 PolarHBondContact OD2-NH2 3.37Å; W328-R357 HydrophobicContact CD2-CG 3.93Å; W328-R357 HydrophobicContact CE3-CG 3.99Å; W328-R357 HydrophobicContact CG-CG 4.47Å; W328-R357 HydrophobicContact CH2-CG 4.34Å; W328-R357 HydrophobicContact CZ2-CG 4.28Å; W328-R357 VanDerWaalsContact CZ2-NH1 3.31Å; W328-R357 HydrophobicContact CZ3-CG 4.2Å; R357-V359 PolarHBondContact O-N 2.91Å
358P75.4Confident65.4Low56 Ų5664.9 Ų64.936%0.36436%0.359SS..PPolyproline II helixtrans-64.9135.9178.4-29.242.6000111.4Y36 G327 L329 Q356Y36-P358 HydrophobicContact CE2-CG 4.36Å; Y36-P358 VanDerWaalsContact OH-CG 3.31Å; Y36-P358 WeakPolarHBondContact OH-CG 3.44Å; G327-P358 WeakPolarHBondContact O-CD 3.39Å; L329-P358 HydrophobicContact CB-CG 3.61Å; L329-P358 HydrophobicContact CD2-CG 3.64Å; L329-P358 HydrophobicContact CG-CG 4.28Å; Q356-P358 WeakPolarHBondContact O-CD 3.31Å
359V63.1Low62.5Low65 Ų6571 Ų7139%0.39439%0.391SS..PPolyproline II helixtrans-98.3121.1-174.4179.60000107.9P294 P295 R357 S361P294-V359 HydrophobicContact CB-CB 3.71Å; P294-V359 HydrophobicContact CB-CG1 3.71Å; P294-V359 HydrophobicContact CB-CG2 3.01Å; P294-V359 HydrophobicContact CG-CG2 4.21Å; P295-V359 HydrophobicContact CG-CG2 4.25Å; R357-V359 PolarHBondContact O-N 2.91Å; V359-S361 PolarHBondContact O-N 2.86Å
360R56.3Low59.7Low146 Ų14680.2 Ų80.255%0.55143%0.431SS*.PPolyproline II helixtrans-71.4123.8176-71.1-173.1169.6163.93108.7D33 T34 S362D33-R360 IonicContact OD2-CZ 2.94Å; D33-R360 IonicContact OD2-NH1 2.73Å; D33-R360 PolarHBondContact OD2-NH1 2.83Å; T34-R360 PolarHBondContact OG1-NH2 2.86Å; R360-S362 PolarHBondContact O-N 3.35Å
361S40.4Very low56.6Low59 Ų5985.4 Ų85.441%0.41347%0.465SS..  trans-59.6108.8151.751.20000106.2V359 T363V359-S361 PolarHBondContact O-N 2.86Å; S361-T363 PolarHBondContact O-N 3.24Å
362S33.7Very low53.7Low106 Ų10691.2 Ų91.274%0.74150%0.5SS*.  trans-62109.8166.859.30000106R360R360-S362 PolarHBondContact O-N 3.35Å
363T28.7Very low50.6Low122 Ų12296.3 Ų96.375%0.74854%0.536SS*.  trans-50.2132159.8-31.70000106S361 G365S361-T363 PolarHBondContact O-N 3.24Å; T363-G365 PolarHBondContact O-N 2.93Å
364P30.9Very low47.3Very low121 Ų121100.3 Ų100.379%0.78657%0.569SS**  trans-64.787.4177.824.8-30.7000107.9Y366P364-Y366 PolarHBondContact O-N 3.04Å
365G31.4Very low44.1Very low65 Ų65109.4 Ų109.467%0.6761%0.611SS**  trans-69.3117.8174.800000107T363T363-G365 PolarHBondContact O-N 2.93Å
366Y28.6Very low40.9Very low218 Ų218114.9 Ų114.986%0.85565%0.65SS**  trans-29131160.9-80.3-96.6000111.2P364 K368P364-Y366 PolarHBondContact O-N 3.04Å; Y366-K368 PolarHBondContact O-N 3.28Å
367P31.4Very low37.9Very low107 Ų107121.4 Ų121.470%0.69569%0.685SS**  trans-60.3110.8178.724-31000108.3N369P367-N369 PolarHBondContact O-N 3.38Å
368K29.3Very low35.2Very low201 Ų201127.8 Ų127.887%0.87472%0.718SS**  trans-65.693.1161.9-81.8-177.9176.5177.30106.2Y366 K370Y366-K368 PolarHBondContact O-N 3.28Å; K368-K370 PolarHBondContact O-N 3.35Å
369N28Very low32.8Very low139 Ų139130.3 Ų130.374%0.74374%0.737SS**  trans-54.6106.9166.2-75.4-14.4000107.4P367 T371P367-N369 PolarHBondContact O-N 3.38Å; N369-T371 PolarHBondContact O-N 3.13Å
370K31.3Very low31.2Very low194 Ų194132.5 Ų132.584%0.84376%0.755SS**  trans-64.6103.2162.9-82.4179.9174177.10106.5K368 V372K368-K370 PolarHBondContact O-N 3.35Å; K370-V372 VanDerWaalsContact C-N 3.32Å; K370-V372 PolarHBondContact O-N 3.46Å
371T27.9Very low29.9Very low139 Ų139137 Ų13785%0.85377%0.773SS**  trans-65.595.7165.1-310000107.1N369 S373N369-T371 PolarHBondContact O-N 3.13Å; T371-S373 PolarHBondContact O-N 2.87Å
372V31.6Very low29.3Very low121 Ų121140.2 Ų140.273%0.73380%0.795SS**  trans-80.4109.4162.4176.80000105.8K370 A374K370-V372 VanDerWaalsContact C-N 3.32Å; K370-V372 PolarHBondContact O-N 3.46Å; V372-A374 PolarHBondContact O-N 2.65Å
373S30.5Very low29Very low109 Ų109141.3 Ų141.376%0.76280%0.797SS**  trans-66112.616659.90000108.7T371T371-S373 PolarHBondContact O-N 2.87Å
374A27.8Very low29Very low86 Ų86140.6 Ų140.671%0.71180%0.797SS**  trans-128.9106.3159.200000107.5V372V372-A374 PolarHBondContact O-N 2.65Å
375H28.4Very low28.8Very low192 Ų192146.5 Ų146.589%0.88980%0.803SS**  trans-63.2125162.2-90.5-88.7000109
376S27.6Very low28.5Very low116 Ų116147.7 Ų147.781%0.81181%0.806SS**  trans-168.7130142.556.60000110.6
377D28.2Very low28.4Very low155 Ų155143.7 Ų143.783%0.82980%0.804SS**  trans-69.5162-173-80-53.4000116.9
378M29.1Very low28.2Very low167 Ų167143 Ų14382%0.82380%0.802SS**  trans88.6115.2144.5-84-75.5153.400122.4
379S25.4Very low28Very low108 Ų108138.5 Ų138.576%0.75580%0.796SS**  trans57.6133.2138.9-114.40000119.1
380S28.7Very low27.9Very low111 Ų111137.3 Ų137.378%0.77680%0.799SS**  cis-169.2155.74052.10000113
381R28.1Very low27.8Very low242 Ų242134.4 Ų134.491%0.91380%0.797SS**  trans-23.7142.2165.7-63.6171.5169.8-178.5-3.7118.6
382S29.2Very low28.1Very low125 Ų125133.3 Ų133.387%0.87479%0.793SS**  -168.8145.7120.551.10000113.6
383V27Very low27.9Very low130 Ų130133.3 Ų133.379%0.78879%0.793SS**  trans-98.7150.4-170.8176.30000110.7
384S28.8Very low27.8Very low107 Ų107133.9 Ų133.975%0.74879%0.792SS**  trans151.2111.6132.1-62.80000111.3
385R26.7Very low27.6Very low245 Ų245136.2 Ų136.293%0.92579%0.792SS**  64.711085.7-103.7-175.2171.6156.4-1.9115.8
386A25.3Very low27.5Very low89 Ų89134.2 Ų134.274%0.73679%0.787SS**  170.2119.7112.200000111.2
387V26.7Very low27.3Very low134 Ų134134.6 Ų134.681%0.81279%0.79SS**  50.412399.2-150.30000112.1
388S26.9Very low27.2Very low92 Ų92132.6 Ų132.664%0.64379%0.788SS**  -177149.451-33.80000111.5
389S24Very low27Very low107 Ų107129 Ų12975%0.74879%0.785SS**  trans43.8140.8136.163.20000120.7
390S27.3Very low27Very low114 Ų114130.3 Ų130.380%0.79779%0.789SS**  cis-178.1146.13234.30000109.2
391T28Very low26.8Very low133 Ų133129 Ų12982%0.81679%0.793SS**  trans-81157.6160.749.20000110.7
392P35.6Very low26.7Very low116 Ų116121.7 Ų121.775%0.75379%0.792SS**  -146.316785.631.5-9.8000116.7
393T26.1Very low26.5Very low122 Ų122119.4 Ų119.475%0.74879%0.788SS**  trans-35.8156.1159.547.90000114.7
394V28.5Very low26.7Very low120 Ų120121.7 Ų121.773%0.72779%0.794SS**  -172.4150.167.2-132.70000112.3
395D23.6Very low26.6Very low135 Ų135119.8 Ų119.872%0.72279%0.792SS**  trans57.5132.4138.8-66.1-17.3000127.5
396L26.5Very low26.6Very low151 Ų151111.8 Ų111.879%0.79179%0.785SS**  trans30.1126.7144.1-78.386.3000120.4
397S24.4Very low26.9Very low123 Ų123116.8 Ų116.886%0.8679%0.791SS**  177.4146107.4-75.20000114.1
398S26.2Very low27.3Very low113 Ų113116.3 Ų116.379%0.7979%0.79SS**  trans-68.3145.1173.9137.10000113.3
399A24.8Very low27.3Very low91 Ų91118.7 Ų118.775%0.75280%0.801SS**  trans-150.9102.6152.800000111.4
400T25.1Very low27.6Very low137 Ų137123.6 Ų123.684%0.8481%0.809SS**  trans11.2135.113652.70000120.3
401G24.2Very low27.6Very low84 Ų84122 Ų12287%0.86681%0.811SS**  trans142.4115.4136.200000117.1
402G25.8Very low27.4Very low87 Ų87119.5 Ų119.590%0.89781%0.811SS**  trans113.6117.6165.500000111.7
403G25.7Very low26.9Very low77 Ų77117.3 Ų117.379%0.79481%0.81SS**  cis141.399.828.800000105.3G405G403-G405 PolarHBondContact O-N 2.96Å
404I30.4Very low26.9Very low179 Ų179122.6 Ų122.692%0.91882%0.818SS**  trans-60118.3-170-39.6171.5000110
405G27.4Very low26.8Very low67 Ų67122.6 Ų122.669%0.69182%0.823SS**  trans-99.7107171.700000110.3G403G403-G405 PolarHBondContact O-N 2.96Å
406G26.3Very low26.9Very low76 Ų76119.3 Ų119.378%0.78482%0.821SS**PPolyproline II helixtrans-70.7144.5-179.400000113.7
407F30.7Very low26.8Very low195 Ų195118.2 Ų118.286%0.85583%0.826SS**PPolyproline II helixtrans-84.1149.8171.2-71.4-86.7000110.7
408P35Very low27Very low124 Ų124120.7 Ų120.781%0.80583%0.829SS**PPolyproline II helixtrans-74.9140.6-171.630.1-32000112.1
409V28.2Very low27.1Very low142 Ų142120.6 Ų120.686%0.86183%0.828SS**PPolyproline II helixtrans-81.7143.2175.4167.10000110
410F30.1Very low27.2Very low209 Ų209123.4 Ų123.492%0.91783%0.826SS**PPolyproline II helixtrans-69.9140.9176.3-97.8-99.3000113.2
411G27.1Very low27.4Very low82 Ų82124.3 Ų124.385%0.84582%0.824SS**  trans115.7106.7149.600000116.5
412G24.3Very low27.6Very low80 Ų80127.2 Ų127.283%0.82582%0.815SS**  trans154.8107.1157.100000116.3
413G23.8Very low27.6Very low70 Ų70131.8 Ų131.872%0.72281%0.813SS**  trans74.3107.1137.300000119
414Y27.7Very low27.7Very low233 Ų233131.6 Ų131.691%0.91481%0.812SS**  trans-54.6135.2158.710.7-97.7000112.1
415S25.2Very low27.4Very low119 Ų119126.5 Ų126.583%0.83280%0.803SS**  trans-151.5119.8145.4-167.10000109.1
416G25.4Very low27.5Very low67 Ų67133.4 Ų133.469%0.69181%0.814SS**  trans-81.7146.9174.400000111.5
417S26Very low27.7Very low127 Ų127139 Ų13989%0.88882%0.82SS**  trans-164.2122.8142.1-82.40000110
418L28.3Very low27.7Very low176 Ų176138.3 Ų138.392%0.92182%0.82SS**  trans-66.1142167.1-85.4151.6000110.9
419S28.6Very low27.5Very low111 Ų111141 Ų14178%0.77682%0.821SS**  -175.2114.8124.955.10000113
420H25.3Very low27.6Very low150 Ų150143.3 Ų143.369%0.69482%0.823SS**  64.2103.5121-156.2-84000120.1
421L30.5Very low27.7Very low155 Ų155137.1 Ų137.181%0.81282%0.817SS**  -165.8116.5123-108142.3000110.9
422E27.6Very low27.7Very low145 Ų145142.1 Ų142.168%0.67882%0.816SS**  trans-11.7152.6139.5-92.9173.9141.200115.8
423E26.3Very low28.3Very low183 Ų183143 Ų14386%0.85582%0.815SS**  cis-175.6144.316.2169.1177.4-160.800105.1
424G27.4Very low28.7Very low74 Ų74147.8 Ų147.876%0.76382%0.819SS**  trans160.782.4176.400000113.2
425G25Very low28.9Very low71 Ų71142.8 Ų142.873%0.73281%0.813SS**  trans-71.2139.3179.500000113.7
426F28.2Very low29.1Very low213 Ų213142.8 Ų142.893%0.93481%0.808SS**  trans-143114.4148.9-86.6-82000107.8
427E30.4Very low29.3Very low192 Ų192144.6 Ų144.690%0.89781%0.809SS**  trans-69.9126.6164.8-60.9176.2123.800108.7
428Q31.4Very low29.6Very low182 Ų182148.2 Ų148.285%0.8581%0.814SS**  -171.7128.8130-125.3157.734.400114.7
429E30.8Very low29.6Very low180 Ų180146.8 Ų146.884%0.84181%0.808SS**  trans61.587.4152.6-95.8-177.4138.500119.7G431E429-G431 PolarHBondContact O-N 3.48Å
430E30.1Very low29.7Very low191 Ų191148.7 Ų148.789%0.89381%0.81SS**  trans-56.496.4152.2-170.9175.9-176.800110.5K432E430-K432 VanDerWaalsContact C-N 3.3Å; E430-K432 PolarHBondContact O-N 3.23Å
431G31.1Very low29.9Very low78 Ų78148.6 Ų148.680%0.80482%0.817SS**  trans-69.884171.500000111.1E429 A433E429-G431 PolarHBondContact O-N 3.48Å; G431-A433 PolarHBondContact O-N 3.45Å
432K28Very low29.9Very low187 Ų187148.2 Ų148.281%0.81382%0.817SS**  trans-60.1119.5173.6-166.1177-176.4-177.70110.2E430 E434E430-K432 VanDerWaalsContact C-N 3.3Å; E430-K432 PolarHBondContact O-N 3.23Å; K432-E434 PolarHBondContact O-N 3.47Å
433A36.7Very low30Very low98 Ų98148.4 Ų148.481%0.8183%0.826SS**  trans-64.6112.916900000109G431G431-A433 PolarHBondContact O-N 3.45Å
434E32Very low30.3Very low171 Ų171146.1 Ų146.180%0.79982%0.824SS**  trans-98109.8-178.9-153.6170.9-15400109.2K432 T436K432-E434 PolarHBondContact O-N 3.47Å; E434-T436 PolarHBondContact O-N 2.84Å
435V31.5Very low30.5Very low129 Ų129151.3 Ų151.378%0.78283%0.828SS**  trans-68.3109172177.70000107.6
436T31Very low30.9Very low119 Ų119157.5 Ų157.573%0.7384%0.835SS**  trans-101108.9173.2-10.80000108.8E434E434-T436 PolarHBondContact O-N 2.84Å
437C28.6Very low31.1Very low105 Ų105152.8 Ų152.871%0.70983%0.827SS**  trans-72.4141.7169.6-550000109.6
438M31.7Very low31.2Very low202 Ų202149.3 Ų149.3100%0.99582%0.821SS**  trans-75.60164.3-76.2-156.6-74.300111.3I19 L319I19-M438 HydrophobicContact CD1-CE 4.43Å; L319-M438 HydrophobicContact CD1-CE 4.47Å

Retrieved 438 of 438 residues in 111.6 ms (Link to these results)