A0A096M7R6_POEFO Loading...

NHERF family PDZ scaffold protein 2

AlphaFold DB , UniProt , Accession A0A096M7R6, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 319 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
1M40.7Very low63.9Low215 Ų215125.8 Ų125.8100%1.05966%0.659SS**  0105.40-175.7165.6169.200107.1I3M1-I3 PolarHBondContact O-N 2.96Å
2M45.3Very low64.8Low181 Ų181131.6 Ų131.689%0.89267%0.665SS**  trans-81.3116.8-175.8-71.3-176.6-76.800109.7V4M2-V4 VanDerWaalsContact C-N 3.34Å; M2-V4 PolarHBondContact O-N 2.88Å; M2-V4 VanDerWaalsContact O-N 3.1Å
3I42.6Very low65.8Low161 Ų161127.1 Ų127.183%0.82664%0.643SS**  trans-79.389.2170.5-56.1175.1000106.7M1 S5M1-I3 PolarHBondContact O-N 2.96Å; I3-S5 PolarHBondContact O-N 3.48Å
4V63.4Low66.3Low82 Ų82130.5 Ų130.550%0.49765%0.651SS.*  trans-66.4121.5170.8-171.90000107.2M2 Q8 V9M2-V4 VanDerWaalsContact C-N 3.34Å; M2-V4 PolarHBondContact O-N 2.88Å; M2-V4 VanDerWaalsContact O-N 3.1Å; V4-Q8 HydrophobicContact CG1-CB 4.14Å; V4-Q8 HydrophobicContact CG1-CG 4.24Å; V4-V9 HydrophobicContact CB-CG2 4.48Å; V4-V9 HydrophobicContact CG1-CG2 3.77Å
5S69.6Low66.8Low54 Ų54126.8 Ų126.838%0.37865%0.649SS.*  trans-70.1147.6-177.872.30000110.7I3 L7 Q8 V9I3-S5 PolarHBondContact O-N 3.48Å; S5-L7 PolarHBondContact O-N 2.96Å; S5-Q8 WeakPolarHBondContact O-CA 3.41Å; S5-Q8 WeakPolarHBondContact O-CB 2.78Å; S5-Q8 PolarHBondContact O-N 3.25Å; S5-Q8 WeakPolarHBondContact OG-CB 3.44Å; S5-Q8 PolarHBondContact OG-N 3.05Å; S5-V9 PolarHBondContact O-N 3.18Å
6L71.4Confident67.7Low150 Ų150123.3 Ų123.379%0.78564%0.636SS**Hα-helixtrans-55.9-35.1176.6-72.6168.3000111.7V9 V10L6-V9 PolarHBondContact O-N 3.26Å; L6-V10 WeakPolarHBondContact O-CG2 3.42Å; L6-V10 PolarHBondContact O-N 2.76Å
7L69.8Low67.9Low142 Ų142126.6 Ų126.674%0.74365%0.647SS**Hα-helixtrans-60.7-44173.1-63.5174.8000112.2S5 V9 V10 Q11S5-L7 PolarHBondContact O-N 2.96Å; L7-V9 VanDerWaalsContact C-N 3.34Å; L7-V9 PolarHBondContact O-N 3.19Å; L7-V10 PolarHBondContact O-N 3.03Å; L7-Q11 VanDerWaalsContact O-CB 3.25Å; L7-Q11 WeakPolarHBondContact O-CB 3.16Å; L7-Q11 PolarHBondContact O-N 3.02Å
8Q71.8Confident68.1Low107 Ų107128.3 Ų128.350%0.566%0.658SS.*Hα-helixtrans-68.6-32.6178.7-169.2174.919.800112.2V4 S5 R12V4-Q8 HydrophobicContact CG1-CB 4.14Å; V4-Q8 HydrophobicContact CG1-CG 4.24Å; S5-Q8 WeakPolarHBondContact O-CA 3.41Å; S5-Q8 WeakPolarHBondContact O-CB 2.78Å; S5-Q8 PolarHBondContact O-N 3.25Å; S5-Q8 WeakPolarHBondContact OG-CB 3.44Å; S5-Q8 PolarHBondContact OG-N 3.05Å; Q8-R12 VanDerWaalsContact O-CB 3.28Å; Q8-R12 WeakPolarHBondContact O-CB 3.48Å; Q8-R12 PolarHBondContact O-N 3.14Å; Q8-R12 VanDerWaalsContact O-N 3.15Å
9V76.4Confident68.3Low65 Ų65127.7 Ų127.739%0.39465%0.652SS.*Hα-helixtrans-67.1-51.9171.4179.80000110.6V4 S5 L6 L7 Q11 R12 I13V4-V9 HydrophobicContact CB-CG2 4.48Å; V4-V9 HydrophobicContact CG1-CG2 3.77Å; S5-V9 PolarHBondContact O-N 3.18Å; L6-V9 PolarHBondContact O-N 3.26Å; L7-V9 VanDerWaalsContact C-N 3.34Å; L7-V9 PolarHBondContact O-N 3.19Å; V9-Q11 PolarHBondContact O-N 2.85Å; V9-R12 PolarHBondContact O-N 3.42Å; V9-R12 VanDerWaalsContact O-N 3.15Å; V9-I13 HydrophobicContact CG1-CD1 3.9Å; V9-I13 WeakPolarHBondContact O-CG1 3.28Å; V9-I13 PolarHBondContact O-N 3.34Å
10V77Confident68.8Low81 Ų81124.7 Ų124.749%0.49164%0.64SS.*Hα-helixtrans-61.3-42.4-180170.30000111.7L6 L7 R12 I13 K14L6-V10 WeakPolarHBondContact O-CG2 3.42Å; L6-V10 PolarHBondContact O-N 2.76Å; L7-V10 PolarHBondContact O-N 3.03Å; V10-R12 VanDerWaalsContact C-N 3.31Å; V10-R12 PolarHBondContact O-N 3.24Å; V10-I13 PolarHBondContact O-N 3.44Å; V10-K14 HydrophobicContact CG1-CD 4.07Å; V10-K14 HydrophobicContact CG1-CG 4.41Å; V10-K14 WeakPolarHBondContact O-CB 3.3Å; V10-K14 WeakPolarHBondContact O-CG 3.42Å; V10-K14 PolarHBondContact O-N 2.85Å
11Q74.9Confident69.1Low146 Ų146126 Ų12668%0.68264%0.637SS**Hα-helixtrans-63.9-37176.6-172.5176.56.200111.9L7 V9 A15L7-Q11 VanDerWaalsContact O-CB 3.25Å; L7-Q11 WeakPolarHBondContact O-CB 3.16Å; L7-Q11 PolarHBondContact O-N 3.02Å; V9-Q11 PolarHBondContact O-N 2.85Å; Q11-A15 WeakPolarHBondContact O-CB 3.42Å; Q11-A15 PolarHBondContact O-N 2.75Å; Q11-A15 VanDerWaalsContact O-N 3.17Å
12R74.4Confident71.1Confident195 Ų195122.3 Ų122.374%0.73662%0.621SS**Hα-helixtrans-72.5-33.7177.6-165.3169.9-171.6138.91.4112.7Q8 V9 V10Q8-R12 VanDerWaalsContact O-CB 3.28Å; Q8-R12 WeakPolarHBondContact O-CB 3.48Å; Q8-R12 PolarHBondContact O-N 3.14Å; Q8-R12 VanDerWaalsContact O-N 3.15Å; V9-R12 PolarHBondContact O-N 3.42Å; V9-R12 VanDerWaalsContact O-N 3.15Å; V10-R12 VanDerWaalsContact C-N 3.31Å; V10-R12 PolarHBondContact O-N 3.24Å
13I78.3Confident72.9Confident73 Ų73117.5 Ų117.537%0.37460%0.598SS.*Hα-helixtrans-67.1-48.4171.1-67.1166.9000110.2V9 V10 A15 V16 T20V9-I13 HydrophobicContact CG1-CD1 3.9Å; V9-I13 WeakPolarHBondContact O-CG1 3.28Å; V9-I13 PolarHBondContact O-N 3.34Å; V10-I13 PolarHBondContact O-N 3.44Å; I13-A15 PolarHBondContact O-N 3.46Å; I13-A15 VanDerWaalsContact O-N 3.1Å; I13-V16 PolarHBondContact O-N 3.26Å; I13-V16 VanDerWaalsContact O-N 3.09Å; I13-T20 HydrophobicContact CG1-CG2 4.31Å; I13-T20 HydrophobicContact CG2-CG2 4.27Å
14K72.1Confident74.8Confident175 Ų175115.8 Ų115.876%0.76160%0.595SS**THydrogen-bonded Turntrans-66.3-9.8179.1-71.3-174.467.9173.90114.7V10V10-K14 HydrophobicContact CG1-CD 4.07Å; V10-K14 HydrophobicContact CG1-CG 4.41Å; V10-K14 WeakPolarHBondContact O-CB 3.3Å; V10-K14 WeakPolarHBondContact O-CG 3.42Å; V10-K14 PolarHBondContact O-N 2.85Å
15A74.8Confident75.9Confident75 Ų75114.3 Ų114.362%0.6259%0.586SS**THydrogen-bonded Turntrans-95.7-0.3175.600000113.6Q11 I13Q11-A15 WeakPolarHBondContact O-CB 3.42Å; Q11-A15 PolarHBondContact O-N 2.75Å; Q11-A15 VanDerWaalsContact O-N 3.17Å; I13-A15 PolarHBondContact O-N 3.46Å; I13-A15 VanDerWaalsContact O-N 3.1Å
16V80.2Confident76.7Confident71 Ų71117.5 Ų117.543%0.4360%0.599SS.*  trans-107.498.5176.7-178.50000108.9I13 N18 E19I13-V16 PolarHBondContact O-N 3.26Å; I13-V16 VanDerWaalsContact O-N 3.09Å; V16-N18 VanDerWaalsContact C-N 3.33Å; V16-N18 PolarHBondContact O-N 3.25Å; V16-E19 WeakPolarHBondContact CG1-O 3.44Å
17E70.9Confident77.5Confident179 Ų179116.3 Ų116.384%0.83659%0.589SS**SBendtrans-72-22.4-167.5-59.9179.7149.800114.3
18N71.6Confident78.4Confident157 Ų157117.2 Ų117.284%0.8459%0.59SS**SBendtrans-114-44.2-165.1-61.4-43.8000115.1V16V16-N18 VanDerWaalsContact C-N 3.33Å; V16-N18 PolarHBondContact O-N 3.25Å
19E72.1Confident79Confident117 Ų117115.4 Ų115.455%0.54759%0.586SS.*  trans-156.9121.4-178.5-166-171.8147.300111.1V16 R21V16-E19 WeakPolarHBondContact CG1-O 3.44Å; E19-R21 IonicContact OE1-CZ 2.65Å; E19-R21 VanDerWaalsContact OE1-CZ 3.31Å; E19-R21 IonicContact OE1-NE 2.83Å; E19-R21 PolarHBondContact OE1-NE 3.1Å; E19-R21 IonicContact OE1-NH2 3.2Å; E19-R21 PolarHBondContact OE1-NH2 3.18Å; E19-R21 IonicContact OE2-NH2 2.88Å; E19-R21 PolarHBondContact OE2-NH2 3.25Å
20T79.1Confident79.6Confident67 Ų67117.3 Ų117.341%0.41159%0.587SS.*  trans-98.4113.5173.5-66.20000110.5I13 L22I13-T20 HydrophobicContact CG1-CG2 4.31Å; I13-T20 HydrophobicContact CG2-CG2 4.27Å; T20-L22 HydrophobicContact CG2-CD2 4.31Å
21R75.8Confident80.1Confident153 Ų153118.7 Ų118.758%0.57759%0.588SS**  trans-95.4142.6172-65.2-174177.8178.93111.6E19 E42E19-R21 IonicContact OE1-CZ 2.65Å; E19-R21 VanDerWaalsContact OE1-CZ 3.31Å; E19-R21 IonicContact OE1-NE 2.83Å; E19-R21 PolarHBondContact OE1-NE 3.1Å; E19-R21 IonicContact OE1-NH2 3.2Å; E19-R21 PolarHBondContact OE1-NH2 3.18Å; E19-R21 IonicContact OE2-NH2 2.88Å; E19-R21 PolarHBondContact OE2-NH2 3.25Å; R21-E42 WeakPolarHBondContact CD-OE1 3.43Å; R21-E42 IonicContact NH1-OE1 3.31Å; R21-E42 PolarHBondContact NH1-OE1 3.17Å
22L82.4Confident80.6Confident138 Ų138114.7 Ų114.772%0.72358%0.576SS**  trans-125.2119.3178.1-63.4177.4000109.5T20 V24T20-L22 HydrophobicContact CG2-CD2 4.31Å; L22-V24 PolarHBondContact O-N 3.02Å
23L81.6Confident81.2Confident79 Ų79106.6 Ų106.641%0.41455%0.547SS..  trans-81.1104.4172.2-172.964.9000109V25 A40 A45L23-V25 HydrophobicContact CD2-CG2 4.49Å; L23-V25 HydrophobicContact CG-CG2 4.13Å; L23-A40 HydrophobicContact CD2-CB 3.62Å; L23-A45 HydrophobicContact CD1-CB 3.68Å
24V84Confident81.6Confident125 Ų125110.4 Ų110.476%0.75856%0.557SS**  trans-86.6135.3172.2-175.80000108.5L22L22-V24 PolarHBondContact O-N 3.02Å
25V85.2Confident82.3Confident51 Ų51106.6 Ų106.631%0.30955%0.553SS.*  trans-131.9119.8-178-175.80000108.2L23 T29 L33 A40L23-V25 HydrophobicContact CD2-CG2 4.49Å; L23-V25 HydrophobicContact CG-CG2 4.13Å; V25-T29 HydrophobicContact CG1-CG2 3.77Å; V25-L33 HydrophobicContact CG1-CD1 4.21Å; V25-A40 HydrophobicContact CG2-CB 3.91Å
26D87.5Confident82.9Confident121 Ų121109.2 Ų109.265%0.64756%0.555SS**  trans-66157177.3-68-53.9000112.4E28 T29 Y30D26-E28 VanDerWaalsContact C-N 3.33Å; D26-E28 PolarHBondContact O-N 2.88Å; D26-T29 WeakPolarHBondContact O-CB 3.34Å; D26-T29 PolarHBondContact O-N 3.19Å; D26-T29 VanDerWaalsContact O-N 3.12Å; D26-Y30 WeakPolarHBondContact O-CB 3.47Å; D26-Y30 PolarHBondContact O-N 3.07Å
27Q87.6Confident83.3Confident125 Ų125114.3 Ų114.358%0.58457%0.574SS**Hα-helixtrans-55.5-43.7-174.3-175.666.423.900113.1Y30 E31Q27-Y30 PolarHBondContact O-N 2.71Å; Q27-E31 PolarHBondContact NE2-OE1 3.46Å; Q27-E31 WeakPolarHBondContact O-CG 3.22Å; Q27-E31 PolarHBondContact O-N 3.43Å
28E88.9Confident83.9Confident161 Ų161110 Ų11075%0.75256%0.557SS**Hα-helixtrans-66.4-40.5179.6-176.2171.1-161.700111.8D26 S32D26-E28 VanDerWaalsContact C-N 3.33Å; D26-E28 PolarHBondContact O-N 2.88Å; E28-S32 VanDerWaalsContact O-CB 3.29Å; E28-S32 WeakPolarHBondContact O-CB 3.35Å; E28-S32 PolarHBondContact O-N 2.78Å; E28-S32 PolarHBondContact O-OG 3.4Å
29T84.9Confident84.5Confident69 Ų69108 Ų10842%0.42355%0.55SS..Hα-helixtrans-66.5-41.3174.6-50.20000111V25 D26 S32 L33V25-T29 HydrophobicContact CG1-CG2 3.77Å; D26-T29 WeakPolarHBondContact O-CB 3.34Å; D26-T29 PolarHBondContact O-N 3.19Å; D26-T29 VanDerWaalsContact O-N 3.12Å; T29-S32 PolarHBondContact O-N 3Å; T29-L33 HydrophobicContact CG2-CD1 4.1Å; T29-L33 HydrophobicContact CG2-CG 4.48Å; T29-L33 WeakPolarHBondContact O-CB 3.4Å; T29-L33 VanDerWaalsContact O-CG 3.25Å; T29-L33 WeakPolarHBondContact O-CG 3.37Å; T29-L33 PolarHBondContact O-N 2.77Å
30Y87.6Confident84.9Confident105 Ų105104 Ų10441%0.41254%0.538SS..Hα-helixtrans-63.8-44.6176.5174.8-101.8000111.9D26 Q27 R34D26-Y30 WeakPolarHBondContact O-CB 3.47Å; D26-Y30 PolarHBondContact O-N 3.07Å; Q27-Y30 PolarHBondContact O-N 2.71Å; Y30-R34 WeakPolarHBondContact O-CB 3.36Å; Y30-R34 PolarHBondContact O-N 3.33Å
31E88.1Confident85.2Confident111 Ų111103.8 Ų103.852%0.51954%0.536SS..Hα-helixtrans-66.8-38.3175.8-73.9-174.8-156.400112.1Q27 R34 S35Q27-E31 PolarHBondContact NE2-OE1 3.46Å; Q27-E31 WeakPolarHBondContact O-CG 3.22Å; Q27-E31 PolarHBondContact O-N 3.43Å; E31-R34 PolarHBondContact O-N 2.93Å; E31-S35 WeakPolarHBondContact O-CB 3.28Å; E31-S35 PolarHBondContact O-N 2.84Å
32S84.8Confident85.4Confident62 Ų62101.8 Ų101.843%0.43453%0.533SS..Hα-helixtrans-62.6-50.7174.9-63.10000112.2E28 T29 R34 S35 L36E28-S32 VanDerWaalsContact O-CB 3.29Å; E28-S32 WeakPolarHBondContact O-CB 3.35Å; E28-S32 PolarHBondContact O-N 2.78Å; E28-S32 PolarHBondContact O-OG 3.4Å; T29-S32 PolarHBondContact O-N 3Å; S32-R34 VanDerWaalsContact C-N 3.33Å; S32-R34 PolarHBondContact O-N 3.33Å; S32-S35 PolarHBondContact O-N 2.94Å; S32-L36 WeakPolarHBondContact O-CG 3.27Å; S32-L36 PolarHBondContact O-N 2.87Å
33L87.8Confident85.1Confident24 Ų24104 Ų10413%0.12654%0.54CS..Hα-helixtrans-60-43175.3-70.5170000111.3V25 T29 S35 L36 H37 L38 A40 M44V25-L33 HydrophobicContact CG1-CD1 4.21Å; T29-L33 HydrophobicContact CG2-CD1 4.1Å; T29-L33 HydrophobicContact CG2-CG 4.48Å; T29-L33 WeakPolarHBondContact O-CB 3.4Å; T29-L33 VanDerWaalsContact O-CG 3.25Å; T29-L33 WeakPolarHBondContact O-CG 3.37Å; T29-L33 PolarHBondContact O-N 2.77Å; L33-S35 PolarHBondContact O-N 2.73Å; L33-L36 CarbonylContact O-C 3.43Å; L33-L36 PolarHBondContact O-N 3.42Å; L33-H37 PolarHBondContact O-N 3.07Å; L33-L38 HydrophobicContact CD2-CB 3.93Å; L33-L38 HydrophobicContact CD2-CD2 3.85Å; L33-L38 HydrophobicContact CD2-CG 4.3Å; L33-L38 PolarHBondContact O-N 3.03Å; L33-A40 HydrophobicContact CD1-CB 3.83Å; L33-M44 HydrophobicContact CD2-SD 3.97Å
34R86.1Confident84.7Confident153 Ų153105 Ų10558%0.57754%0.543SS*.Hα-helixtrans-63.6-39.5177.7-176.4177-179.8178.4-0.3112.9Y30 E31 S32 L36 H37Y30-R34 WeakPolarHBondContact O-CB 3.36Å; Y30-R34 PolarHBondContact O-N 3.33Å; E31-R34 PolarHBondContact O-N 2.93Å; S32-R34 VanDerWaalsContact C-N 3.33Å; S32-R34 PolarHBondContact O-N 3.33Å; R34-L36 VanDerWaalsContact C-N 3.34Å; R34-H37 PolarHBondContact O-N 3.46Å
35S87.5Confident84.3Confident96 Ų96100.7 Ų100.767%0.67152%0.521SS*.Hα-helixtrans-63.5-41.7174.7-167.60000111.3E31 S32 L33 H37E31-S35 WeakPolarHBondContact O-CB 3.28Å; E31-S35 PolarHBondContact O-N 2.84Å; S32-S35 PolarHBondContact O-N 2.94Å; L33-S35 PolarHBondContact O-N 2.73Å; S35-H37 PolarHBondContact O-N 3.08Å; S35-H37 PolarHBondContact O-ND1 2.93Å
36L88.3Confident83.8Confident129 Ų129105.1 Ų105.168%0.67555%0.548SS*.THydrogen-bonded Turntrans-78.52.9176-64.2171.3000114.4S32 L33 R34 L38S32-L36 WeakPolarHBondContact O-CG 3.27Å; S32-L36 PolarHBondContact O-N 2.87Å; L33-L36 CarbonylContact O-C 3.43Å; L33-L36 PolarHBondContact O-N 3.42Å; R34-L36 VanDerWaalsContact C-N 3.34Å; L36-L38 HydrophobicContact CB-CB 4.35Å; L36-L38 PolarHBondContact O-N 3.08Å
37H87.4Confident82.7Confident178 Ų178105.2 Ų105.282%0.82455%0.548SS*.THydrogen-bonded Turntrans53.727.6-174.1-68.977.6000114.6L33 R34 S35L33-H37 PolarHBondContact O-N 3.07Å; R34-H37 PolarHBondContact O-N 3.46Å; S35-H37 PolarHBondContact O-N 3.08Å; S35-H37 PolarHBondContact O-ND1 2.93Å
38L83.9Confident81.1Confident89 Ų89103.2 Ų103.247%0.46656%0.561SS.*PPolyproline II helixtrans-96.6144.6-175.1-145.967.3000111L33 L36 M44L33-L38 HydrophobicContact CD2-CB 3.93Å; L33-L38 HydrophobicContact CD2-CD2 3.85Å; L33-L38 HydrophobicContact CD2-CG 4.3Å; L33-L38 PolarHBondContact O-N 3.03Å; L36-L38 HydrophobicContact CB-CB 4.35Å; L36-L38 PolarHBondContact O-N 3.08Å; L38-M44 HydrophobicContact CD2-CE 3.61Å; L38-M44 HydrophobicContact CD2-SD 4.37Å; L38-M44 HydrophobicContact CG-CE 4.19Å
39T84.4Confident79Confident114 Ų114101.3 Ų101.370%0.69956%0.561SS**PPolyproline II helixtrans-96.6135.3172.7-58.20000109.1
40A80.9Confident76.9Confident35 Ų35107.6 Ų107.629%0.28959%0.585SS.*PPolyproline II helixtrans-65.2131.7175.600000111.3L23 V25 L33L23-A40 HydrophobicContact CD2-CB 3.62Å; V25-A40 HydrophobicContact CG2-CB 3.91Å; L33-A40 HydrophobicContact CD1-CB 3.83Å
41T84.8Confident74.4Confident61 Ų61106.8 Ų106.837%0.37460%0.6SS.*  trans-125.9161.4178.955.70000111.3E43 M44T41-E43 PolarHBondContact O-N 3.28Å; T41-M44 PolarHBondContact O-N 2.8Å
42E78.9Confident72.2Confident112 Ų112109.6 Ų109.652%0.52362%0.618SS.*G310 helixtrans-59.6-33.3178.9-167.5167.5-176.600112R21 M44 A45R21-E42 WeakPolarHBondContact CD-OE1 3.43Å; R21-E42 IonicContact NH1-OE1 3.31Å; R21-E42 PolarHBondContact NH1-OE1 3.17Å; E42-M44 PolarHBondContact O-N 3.08Å; E42-M44 VanDerWaalsContact O-N 3.09Å; E42-A45 VanDerWaalsContact O-CB 3.22Å; E42-A45 WeakPolarHBondContact O-CB 3.46Å; E42-A45 PolarHBondContact O-N 2.83Å
43E76.3Confident70.5Confident184 Ų184112.1 Ų112.186%0.8663%0.633SS**G310 helixtrans-58.1-19.3172.8-56.2-62.7132.300114.7T41T41-E43 PolarHBondContact O-N 3.28Å
44M72.9Confident68Low99 Ų99115.9 Ų115.949%0.48867%0.668SS.*G310 helixtrans-95.4-2.9177-59.3177.9-171.100112.7L33 L38 T41 E42L33-M44 HydrophobicContact CD2-SD 3.97Å; L38-M44 HydrophobicContact CD2-CE 3.61Å; L38-M44 HydrophobicContact CD2-SD 4.37Å; L38-M44 HydrophobicContact CG-CE 4.19Å; T41-M44 PolarHBondContact O-N 2.8Å; E42-M44 PolarHBondContact O-N 3.08Å; E42-M44 VanDerWaalsContact O-N 3.09Å
45A76.8Confident65.9Low36 Ų36113.7 Ų113.730%0.29868%0.682SS.*  trans-80.8122.9-179.700000111L23 E42 L47L23-A45 HydrophobicContact CD1-CB 3.68Å; E42-A45 VanDerWaalsContact O-CB 3.22Å; E42-A45 WeakPolarHBondContact O-CB 3.46Å; E42-A45 PolarHBondContact O-N 2.83Å; A45-L47 PolarHBondContact O-N 3.14Å; A45-L47 VanDerWaalsContact O-N 3.09Å
46V75.1Confident63.4Low143 Ų143114.9 Ų114.987%0.86769%0.691SS**  trans-72.8101.8162.7-178.70000107.5G48V46-G48 PolarHBondContact O-N 2.99Å
47L62.8Low61.1Low123 Ų123114.3 Ų114.364%0.64470%0.697SS**  trans-61.2119.3173.9-66.1178.3000109.3A45 T49A45-L47 PolarHBondContact O-N 3.14Å; A45-L47 VanDerWaalsContact O-N 3.09Å; L47-T49 PolarHBondContact O-N 3.36Å
48G55.3Low59.6Low84 Ų84111.6 Ų111.687%0.86670%0.695SS**  trans-73.848.4-173.700000115V46V46-G48 PolarHBondContact O-N 2.99Å
49T44Very low57.8Low121 Ų121113.1 Ų113.174%0.74271%0.711SS**  trans-95.995.6174.653.60000110.3L47 A51L47-T49 PolarHBondContact O-N 3.36Å; T49-A51 PolarHBondContact O-N 2.97Å
50E42.2Very low55.3Low201 Ų201112.2 Ų112.294%0.93972%0.715SS**  trans-70111.3173.5-172.8-173.6144.600110.6
51A33.5Very low53.1Low88 Ų88116.2 Ų116.273%0.72774%0.741SS**  trans-156.2104171.100000112.1T49T49-A51 PolarHBondContact O-N 2.97Å
52L42.9Very low50.6Low169 Ų169119.3 Ų119.389%0.88577%0.765SS**  trans-78.4145.2157.6-74.8166.3000108.8
53P47.9Very low48.8Very low115 Ų115119.2 Ų119.275%0.74778%0.777SS**  -151160.1103.538.5-22.8000117
54A35.6Very low47.5Very low104 Ų104115.2 Ų115.286%0.8677%0.766SS**  trans62.8134.3147.800000120.9
55A42.3Very low45.7Very low106 Ų106116.8 Ų116.888%0.87678%0.782SS**  trans-86.8156.2-177.100000114.5
56S35.5Very low44.6Very low122 Ų122120.1 Ų120.185%0.85380%0.8SS**  trans-145.2159.3150.362.30000110.2
57S40.3Very low42.6Very low116 Ų116118.4 Ų118.481%0.81180%0.795SS**  trans-93158.6-161.9-56.30000114.7
58P55.8Low41.2Very low121 Ų121118.1 Ų118.179%0.78680%0.803SS**  trans-93.7167.7-174.838.3-37.2000114
59P45.9Very low40.3Very low122 Ų122120.4 Ų120.479%0.79280%0.8SS**  trans-117.2150.9159.436.8-26.8000114.5
60A30.8Very low40.5Very low95 Ų95119.9 Ų119.979%0.78580%0.799SS**  trans15.8122.8157.800000120.4
61S35.3Very low40Very low119 Ų119115.6 Ų115.683%0.83279%0.791SS**  77.995.657.6-1790000115.3
62S32.8Very low40.1Very low125 Ų125116.8 Ų116.887%0.87479%0.794SS**  trans-149119.3150.2550000112.1
63S40Very low40.3Very low111 Ų111113.9 Ų113.978%0.77679%0.786SS**  trans-140.5167.7168.174.40000105.8
64P49.5Very low39.6Very low99 Ų99113.8 Ų113.864%0.64378%0.783SS**  cis-146.4152.333.442.9-23.3000118.6
65T35.5Very low39.6Very low132 Ų132118.2 Ų118.281%0.8178%0.783SS**  trans48.9175.6133.573.30000121.2
66P53.7Low39.4Very low106 Ų106123 Ų12369%0.68878%0.784SS**  cis-132166.5-5.143.9-28.1000117.4
67S34Very low39.5Very low107 Ų107127.5 Ų127.575%0.74878%0.782SS**  trans27131.9145.665.20000123
68S32.4Very low39.4Very low117 Ų117131 Ų13182%0.81879%0.786SS**  -175127102.846.80000114.6
69T35.8Very low38.2Very low133 Ų133132 Ų13282%0.81679%0.785SS**  trans-89.8170.7145.549.90000107.5
70P49.2Very low37.6Very low110 Ų110129.8 Ų129.871%0.71478%0.784SS**  cis-146.9-165.222.539.6-15.9000117.1
71S31.3Very low37.8Very low111 Ų111130.4 Ų130.478%0.77678%0.782SS**  trans87.3122.2147.5-61.40000122.2
72S35.3Very low37.9Very low112 Ų112131.2 Ų131.278%0.78378%0.782SS**  trans-65.4166.2155.6-33.60000111.8
73P47.6Very low38.2Very low109 Ų109130.9 Ų130.971%0.70878%0.78SS**  -161.7144.884.339.5-17.5000120.4
74T32.7Very low38.2Very low112 Ų112134.8 Ų134.869%0.68778%0.782SS**  trans68.6147137.965.30000124.9
75K36.4Very low37.6Very low198 Ų198139.4 Ų139.486%0.86180%0.795SS**  trans74.6154.2159.4-66.2149.6-175.21700115
76K36.9Very low37.5Very low205 Ų205136.4 Ų136.489%0.89179%0.791SS**  cis-147.5155.723.8-170.4178.5174.8-175.70113.2
77R39Very low36.4Very low217 Ų217136.9 Ų136.982%0.81980%0.797SS**  trans-66.6155.1174-66.3150.751.6-162.7-2.3113.6
78Q38.1Very low36.3Very low191 Ų191139.7 Ų139.789%0.89380%0.798SS**  -151.4156.3127.7-160.9149.7-5.900112.2
79N30Very low36.3Very low142 Ų142138.8 Ų138.876%0.75979%0.787SS**  trans-108.2155.7-179.1-71.414.3000111.9
80G32.3Very low36.4Very low75 Ų75141.4 Ų141.477%0.77379%0.79SS**  trans153.5156.5144.700000114.2
81S35.9Very low35.8Very low108 Ų108144.3 Ų144.376%0.75579%0.792SS**  cis-171.5125.2-27.4-173.60000108.9
82V36.5Very low36.3Very low135 Ų135144.7 Ų144.782%0.81879%0.791SS**  trans44120.3148.1-179.80000119.8
83S39.3Very low36.2Very low119 Ų119144.1 Ų144.183%0.83278%0.783SS**  -159.3164.7112.8-151.30000114
84K40.5Very low35.5Very low192 Ų192148.6 Ų148.684%0.83579%0.786SS**  trans-134.9141.3-176.9-86.5-176.1173.3-179.60111.2
85Q37.6Very low35.5Very low196 Ų196153.1 Ų153.192%0.91679%0.791SS**  trans179.3150.1145.8-98.3151.73.600106.7
86G32.3Very low35.6Very low70 Ų70148.9 Ų148.972%0.72279%0.786SS**  cis100.2121.710.300000111.3
87S31.6Very low36Very low116 Ų116145.1 Ų145.181%0.81178%0.782SS**  cis-167.6171.9-3.352.30000111.5
88H32.1Very low35.8Very low165 Ų165140.4 Ų140.476%0.76478%0.782SS**  trans78.5113.9147.2-143.169.1000121.9
89V32.6Very low35.7Very low98 Ų98140.6 Ų140.659%0.59478%0.78SS**  trans59.7130.8130.1172.20000119.2
90Q36.6Very low36Very low188 Ų188138.4 Ų138.488%0.87978%0.782SS**  -169.6-174.169.5-147.9154.882.900114.1
91K36.3Very low36.3Very low172 Ų172139 Ų13975%0.74878%0.78SS**  trans-128.9137.2-172.7178.9-167179.6-176.90113T93K91-T93 WeakPolarHBondContact CE-OG1 3.21Å
92P42Very low36.5Very low119 Ų119143 Ų14377%0.77378%0.783SS**  -134.7158.5126.434.7-21.9000111.5
93T34.2Very low36.4Very low100 Ų100144 Ų14461%0.61378%0.777SS**  cis90.8103.721.6-56.20000116K91K91-T93 WeakPolarHBondContact CE-OG1 3.21Å
94R33.3Very low36.2Very low203 Ų203145.7 Ų145.777%0.76677%0.771SS**  trans88.3140.8148.8-113.3-171.2170.5177.1-0.1122.5
95R32.4Very low35.8Very low207 Ų207141.4 Ų141.478%0.78176%0.761SS**  trans82.3120.1147.7-79.1-179.9172.4-168.8-5.1120.4
96S38.6Very low35.7Very low109 Ų109136.9 Ų136.976%0.76275%0.752SS**  trans-80.2165.7157.938.10000112.3
97P46Very low35.9Very low126 Ų126140.3 Ų140.382%0.81876%0.759SS**  trans-114.4145.9149.236-27.4000112.1
98S34.4Very low35.9Very low117 Ų117142.9 Ų142.982%0.81876%0.758SS**  trans-92.5171.9169.3-32.20000110.8
99K36.2Very low36.4Very low196 Ų196141.9 Ų141.985%0.85276%0.763SS**  153.1118.3112.1-178171.3179.9-1800115.6
100A35.3Very low36.7Very low96 Ų96143.8 Ų143.879%0.79377%0.766SS**  trans64.3163.5153.600000117
101A38.7Very low36.9Very low88 Ų88142.1 Ų142.173%0.72776%0.761SS**  cis-159.3168.7-2.200000108
102K40.4Very low37.1Very low190 Ų190141.7 Ų141.783%0.82676%0.762SS**  cis-169.4142.40.6-137176.1-174.6-178.10108.9
103K35Very low36.8Very low158 Ų158141.1 Ų141.169%0.68776%0.761SS**  trans64.2160.3148.2-112.1-173.5153.8-125.70117.1
104E35.1Very low37.1Very low153 Ų153142.7 Ų142.772%0.71576%0.761SS**  cis-130.4135.817.6-72-152.8120.100112.5
105T31.9Very low37.5Very low102 Ų102139 Ų13963%0.62676%0.763SS**  46.5128.310021.20000115.2
106S34.1Very low37.8Very low101 Ų101135.2 Ų135.271%0.70675%0.754SS**  cis-140.7-176.79.4-63.50000109.3
107T36.4Very low38Very low143 Ų143138 Ų13888%0.87776%0.761SS**  cis-158.1165.333-490000110.9
108E33.4Very low37.6Very low169 Ų169137.4 Ų137.479%0.7975%0.747SS**  trans-101.4132.4-168.1-177.4176.698.900113.5
109V41.4Very low38Very low145 Ų145136.8 Ų136.888%0.87974%0.74SS**  trans-144.9119.8150.8-148.10000107.5
110E39.8Very low38.4Very low138 Ų138133.3 Ų133.365%0.64574%0.738SS**  trans-93.8116.8-171.4-168.5178.2140.700112.1Q112E110-Q112 HydrophobicContact CG-CB 4.44Å; E110-Q112 PolarHBondContact OE1-NE2 2.69Å
111I40.1Very low38.8Very low152 Ų152135.9 Ų135.978%0.77973%0.733SS**  trans-126.6100160.8-59.8-178.6000107.4S113I111-S113 PolarHBondContact O-N 2.95Å
112Q40.9Very low39.2Very low163 Ų163140.7 Ų140.776%0.76274%0.741SS**  trans-83.972.4-168.9-160.4-179.3116.200111.9E110 Q114E110-Q112 HydrophobicContact CG-CB 4.44Å; E110-Q112 PolarHBondContact OE1-NE2 2.69Å; Q112-Q114 PolarHBondContact O-N 3.49Å
113S36.1Very low39.7Very low107 Ų107135.3 Ų135.375%0.74872%0.724SS**  trans-82.994.7176.455.60000111.8I111I111-S113 PolarHBondContact O-N 2.95Å
114Q39.7Very low40.5Very low134 Ų134133.5 Ų133.563%0.62672%0.722SS**  trans-65.5132.7174.5179.6-18067.800111.1Q112 Q116Q112-Q114 PolarHBondContact O-N 3.49Å; Q114-Q116 HydrophobicContact CG-CG 4.11Å; Q114-Q116 PolarHBondContact O-N 3.33Å
115P42.1Very low41.5Very low124 Ų124130 Ų13081%0.80571%0.712SS**  trans-72.893.5169.430.4-32.5000108.8
116Q38.7Very low42.6Very low128 Ų128130.2 Ų130.260%0.59872%0.718SS**  trans-83.3120171.7-68.6-173.8-10.200109.4Q114 Q118Q114-Q116 HydrophobicContact CG-CG 4.11Å; Q114-Q116 PolarHBondContact O-N 3.33Å; Q116-Q118 PolarHBondContact O-N 3.42Å
117D42.5Very low44.2Very low167 Ų167131.4 Ų131.489%0.89371%0.712SS**  trans-61.384.9156.6-80.2-70000108.4
118Q37.2Very low46.5Very low115 Ų115126 Ų12654%0.53768%0.678SS.*PPolyproline II helixtrans-69.5128.8165-70.1-162.2-5.800107.9Q116Q116-Q118 PolarHBondContact O-N 3.42Å
119P42.6Very low49.3Very low104 Ų104118.7 Ų118.768%0.67565%0.646SS**PPolyproline II helixtrans-57.7152.5163.128.6-34.1000108.6Q121P119-Q121 PolarHBondContact O-N 2.92Å
120P44.9Very low51.8Low123 Ų123112 Ų11280%0.79961%0.605SS**PPolyproline II helixtrans-52.3121.4179.622.3-33.5000109.2Q122P120-Q122 PolarHBondContact O-N 2.82Å; P120-Q122 VanDerWaalsContact O-N 3.09Å
121Q44.2Very low54.4Low150 Ų150107.4 Ų107.470%0.70158%0.582SS**PPolyproline II helixtrans-57.2119-172.6-69-178.8-7.400108.7P119 V123P119-Q121 PolarHBondContact O-N 2.92Å; Q121-V123 PolarHBondContact O-N 3.17Å
122Q46.6Very low57Low188 Ų188102.1 Ų102.188%0.87956%0.555SS**  trans-70.199.1174.8-67.5-173.9-48.900107P120 D124P120-Q122 PolarHBondContact O-N 2.82Å; P120-Q122 VanDerWaalsContact O-N 3.09Å; Q122-D124 PolarHBondContact O-N 3.43Å; Q122-D124 VanDerWaalsContact O-N 3.14Å
123V51.3Low59.6Low77 Ų7794.5 Ų94.547%0.46752%0.52SS..  trans-54120172.8-69.90000108.4Q121 L128Q121-V123 PolarHBondContact O-N 3.17Å; V123-L128 HydrophobicContact CG2-CD2 4.32Å
124D52.2Low62.5Low121 Ų12192.5 Ų92.565%0.64750%0.499SS*.  trans-59.5126-178.1-95.1-62.4000108.6Q122 S126 E127Q122-D124 PolarHBondContact O-N 3.43Å; Q122-D124 VanDerWaalsContact O-N 3.14Å; D124-S126 PolarHBondContact O-N 3.33Å; D124-E127 WeakPolarHBondContact O-CB 3.49Å; D124-E127 PolarHBondContact O-N 3.12Å
125P55.2Low65.2Low80 Ų8086.1 Ų86.152%0.51947%0.469SS..THydrogen-bonded Turntrans-68.11.2-172.427.3-35.5000114H216P125-H216 PolarHBondContact O-NE2 3.18Å
126S55.3Low67.8Low106 Ų10683.5 Ų83.574%0.74145%0.451SS*.THydrogen-bonded Turntrans-87.7-7.7169.8-53.70000113.6D124D124-S126 PolarHBondContact O-N 3.33Å
127E68.6Low70.4Confident125 Ų12582.6 Ų82.658%0.58444%0.442SS*.SBendtrans-95.2-19.1176-168.8107.6-87.400112.5D124 A129 K230D124-E127 WeakPolarHBondContact O-CB 3.49Å; D124-E127 PolarHBondContact O-N 3.12Å; E127-A129 VanDerWaalsContact C-N 3.3Å; E127-A129 PolarHBondContact O-N 2.92Å; E127-K230 IonicContact OE1-NZ 3.7Å; E127-K230 PolarHBondContact OE1-NZ 3.49Å
128L84.6Confident72.9Confident30 Ų3077.1 Ų77.116%0.15742%0.417CS..  trans-71.178.1-175.8-62179.2000112.4V123 E212 H216V123-L128 HydrophobicContact CG2-CD2 4.32Å; L128-E212 HydrophobicContact CD2-CB 3.85Å; L128-H216 HydrophobicContact CD1-CB 3.93Å
129A90.4Very high75.4Confident16 Ų1679.7 Ų79.713%0.13244%0.44CS..  trans-114.9149.8178.400000111.5E127 K230E127-A129 VanDerWaalsContact C-N 3.3Å; E127-A129 PolarHBondContact O-N 2.92Å; A129-K230 HydrophobicContact CB-CB 3.96Å; A129-K230 HydrophobicContact CB-CD 4.48Å; A129-K230 HydrophobicContact CB-CG 3.91Å
130P94.1Very high77.7Confident3 Ų378 Ų782%0.01944%0.442CS..  trans-64.6154.4167.7-20.835.7000111.7L207 V208 V209 F217 P224 H228 V229P130-L207 HydrophobicContact CB-CD1 4.01Å; P130-L207 HydrophobicContact CB-CG 4.33Å; P130-V208 WeakPolarHBondContact CA-O 3.38Å; P130-V209 HydrophobicContact CB-CG1 3.75Å; P130-V209 HydrophobicContact CG-CG1 3.82Å; P130-F217 HydrophobicContact CG-CE2 4.33Å; P130-F217 HydrophobicContact CG-CZ 4.05Å; P130-P224 HydrophobicContact CB-CB 4.45Å; P130-P224 HydrophobicContact CG-CB 3.81Å; P130-H228 WeakPolarHBondContact CD-O 3.33Å; P130-H228 HydrophobicContact CG-CB 3.99Å; P130-V229 HydrophobicContact CB-CG2 4.25Å; P130-V229 WeakPolarHBondContact O-CA 3.17Å
131R94.7Very high80Confident43 Ų4373.2 Ų73.216%0.16242%0.415CS..EExtended strand (participates in β ladder)trans-112.3134.5176.4-69.5-178-80.81030.5110G170 D175 V208 D210R131-G170 PolarHBondContact NH1-O 2.87Å; R131-D175 IonicContact CZ-OD1 2.87Å; R131-D175 IonicContact CZ-OD2 3.28Å; R131-D175 IonicContact NH1-OD1 3.73Å; R131-D175 IonicContact NH1-OD2 3.79Å; R131-D175 PolarHBondContact NH1-OD2 3.01Å; R131-D175 IonicContact NH2-OD1 3.32Å; R131-D175 PolarHBondContact NH2-OD1 3.42Å; R131-D175 IonicContact NH2-OD2 2.91Å; R131-D175 PolarHBondContact NH2-OD2 3.38Å; R131-V208 HydrophobicContact CB-CG2 3.99Å; R131-V208 PolarHBondContact N-O 3.38Å; R131-V208 PolarHBondContact O-N 2.89Å; R131-D210 IonicContact CZ-OD1 3.8Å; R131-D210 IonicContact CZ-OD2 3.39Å; R131-D210 VanDerWaalsContact CZ-OD2 3.28Å; R131-D210 IonicContact NE-OD1 2.61Å; R131-D210 IonicContact NE-OD2 3.04Å; R131-D210 PolarHBondContact NE-OD2 2.92Å; R131-D210 IonicContact NH2-OD1 2.87Å; R131-D210 PolarHBondContact NH2-OD1 3.11Å; R131-D210 IonicContact NH2-OD2 3.31Å; R131-D210 PolarHBondContact NH2-OD2 2.86Å
132L95.4Very high82.5Confident40 Ų4067.2 Ų67.221%0.20939%0.386CS..EExtended strand (participates in β ladder)trans-105.3102.8175.5-177.871.3000109.5W205 L207 I226 V229 Y232L132-W205 HydrophobicContact CD1-CB 4.43Å; L132-W205 HydrophobicContact CD1-CE3 4.25Å; L132-W205 HydrophobicContact CD2-CE3 3.71Å; L132-W205 HydrophobicContact CD2-CZ3 3.89Å; L132-W205 HydrophobicContact CG-CE3 3.8Å; L132-W205 HydrophobicContact CG-CZ3 4.27Å; L132-L207 HydrophobicContact CB-CD1 4.21Å; L132-L207 HydrophobicContact CD1-CB 4.31Å; L132-L207 HydrophobicContact CD1-CD1 4.18Å; L132-I226 HydrophobicContact CD2-CD1 3.66Å; L132-I226 HydrophobicContact CD2-CG1 4.08Å; L132-V229 HydrophobicContact CB-CG1 4.27Å; L132-V229 HydrophobicContact CB-CG2 4.16Å; L132-Y232 HydrophobicContact CD2-CD2 4.19Å; L132-Y232 HydrophobicContact CD2-CE2 3.84Å
133C96.1Very high84.8Confident4 Ų458.8 Ų58.83%0.02735%0.35CS..EExtended strand (participates in β ladder)trans-94.2125.8-177.7-61.90000110.3L135 A169 L171 W205 L206C133-L135 HydrophobicContact CB-CD1 3.69Å; C133-L135 WeakPolarHBondContact O-CD1 3.27Å; C133-A169 HydrophobicContact CB-CB 4.05Å; C133-A169 WeakPolarHBondContact CB-O 3.16Å; C133-A169 PolarHBondContact SG-O 3.32Å; C133-L171 HydrophobicContact CB-CD2 3.9Å; C133-L171 HydrophobicContact CB-CG 4Å; C133-W205 WeakPolarHBondContact O-CA 3.22Å; C133-L206 PolarHBondContact N-O 3.09Å; C133-L206 PolarHBondContact O-N 2.95Å
134H96.3Very high87Confident64 Ų6456.7 Ų56.730%0.29633%0.334SS..EExtended strand (participates in β ladder)trans-98.2121.5170.8-175.2-128.9000110.9A169 E203 W205H134-A169 WeakPolarHBondContact O-CB 3.29Å; H134-E203 IonicContact CE1-OE1 2.72Å; H134-E203 PolarHBondContact CE1-OE1 3.32Å; H134-E203 VanDerWaalsContact CE1-OE1 3.32Å; H134-E203 IonicContact NE2-OE1 3.76Å; H134-W205 HydrophobicContact CB-CD2 4.07Å; H134-W205 HydrophobicContact CB-CE3 3.85Å; H134-W205 HydrophobicContact CB-CH2 3.84Å; H134-W205 HydrophobicContact CB-CZ2 4.03Å; H134-W205 HydrophobicContact CB-CZ3 3.75Å; H134-W205 AromaticContact CD2-CD1 3.63Å; H134-W205 AromaticContact CD2-CD2 3.57Å; H134-W205 AromaticContact CD2-CE2 3.17Å; H134-W205 AromaticContact CD2-CG 3.86Å; H134-W205 AromaticContact CD2-CZ2 3.56Å; H134-W205 AromaticContact CD2-NE1 3.18Å; H134-W205 PolarHBondContact CD2-NE1 3.06Å; H134-W205 AromaticContact CG-CE2 3.66Å; H134-W205 AromaticContact CG-CH2 3.92Å; H134-W205 AromaticContact CG-CZ2 3.6Å; H134-W205 AromaticContact NE2-CE2 3.73Å; H134-W205 AromaticContact NE2-CZ2 4Å; H134-W205 AromaticContact NE2-NE1 3.42Å; H134-W205 PolarHBondContact NE2-NE1 3.3Å
135L95.9Very high89.1Confident0 Ų054.6 Ų54.60%032%0.323CS..EExtended strand (participates in β ladder)trans-120.9119.3-177.4-68.175.9000110.7C133 Y142 F144 A166 A169 L171 E203 T204 L206C133-L135 HydrophobicContact CB-CD1 3.69Å; C133-L135 WeakPolarHBondContact O-CD1 3.27Å; L135-Y142 HydrophobicContact CB-CD1 3.85Å; L135-Y142 HydrophobicContact CB-CE1 4.25Å; L135-Y142 HydrophobicContact CD2-CD1 4.36Å; L135-Y142 HydrophobicContact CD2-CG 4.42Å; L135-Y142 WeakPolarHBondContact O-CE1 3.39Å; L135-F144 HydrophobicContact CD2-CD1 3.82Å; L135-F144 HydrophobicContact CD2-CE1 3.77Å; L135-A166 HydrophobicContact CD2-CB 3.79Å; L135-A169 HydrophobicContact CD1-CB 3.77Å; L135-A169 HydrophobicContact CG-CB 3.86Å; L135-L171 HydrophobicContact CD1-CD1 4.24Å; L135-L171 HydrophobicContact CD2-CD1 3.88Å; L135-E203 WeakPolarHBondContact O-CA 3.4Å; L135-T204 HydrophobicContact CB-CG2 3.96Å; L135-T204 PolarHBondContact N-O 3.09Å; L135-T204 PolarHBondContact O-N 3.15Å; L135-L206 HydrophobicContact CD1-CB 4.5Å; L135-L206 HydrophobicContact CD1-CD1 3.79Å; L135-L206 HydrophobicContact CD1-CG 4.15Å; L135-L206 HydrophobicContact CD2-CD1 4.01Å
136T96.1Very high91Very high69 Ų6952.2 Ų52.242%0.42331%0.306SS..EExtended strand (participates in β ladder)trans-90.9141.5165.4-47.60000110P165 D202 E203T136-P165 WeakPolarHBondContact O-CB 3.44Å; T136-P165 WeakPolarHBondContact O-CG 3.48Å; T136-D202 CarbonylContact C-O 3.58Å; T136-D202 WeakPolarHBondContact CA-O 3.48Å; T136-E203 HydrophobicContact CG2-CG 4.08Å; T136-E203 PolarHBondContact OG1-OE1 2.79Å
137R94.6Very high92.8Very high109 Ų10950.8 Ų50.841%0.41129%0.287SS..  trans-79.1122.3-173.5-167172.669.1174.65.7111.1Y142 G201 D202R137-Y142 HydrophobicContact CB-CD1 4.13Å; R137-Y142 HydrophobicContact CB-CE1 3.57Å; R137-Y142 HydrophobicContact CG-CD1 4.45Å; R137-Y142 HydrophobicContact CG-CE1 4.13Å; R137-G201 PolarHBondContact NH1-O 3.48Å; R137-D202 HydrophobicContact CB-CB 4.29Å; R137-D202 VanDerWaalsContact CB-O 3.24Å; R137-D202 WeakPolarHBondContact CB-O 3.43Å; R137-D202 IonicContact CZ-OD1 2.69Å; R137-D202 IonicContact CZ-OD2 3.39Å; R137-D202 PolarHBondContact N-O 2.91Å; R137-D202 IonicContact NE-OD1 2.79Å; R137-D202 PolarHBondContact NE-OD1 2.87Å; R137-D202 IonicContact NH2-OD1 3.99Å; R137-D202 PolarHBondContact NH2-OD1 3.08Å; R137-D202 IonicContact NH2-OD2 2.99Å; R137-D202 PolarHBondContact NH2-OD2 3.27Å
138S93.6Very high94Very high53 Ų5346.8 Ų46.837%0.37127%0.273SS..BIsolated β-bridgetrans-84.8175.417179.90000111.8G140 G141S138-G140 PolarHBondContact O-N 3.1Å; S138-G140 PolarHBondContact OG-N 3.35Å; S138-G140 VanDerWaalsContact OG-N 3.1Å; S138-G141 WeakPolarHBondContact CB-O 3.42Å; S138-G141 PolarHBondContact N-O 3.31Å; S138-G141 WeakPolarHBondContact O-CA 3.47Å; S138-G141 PolarHBondContact O-N 3.31Å; S138-G141 PolarHBondContact OG-O 3.17Å
139V91.6Very high94.2Very high168 Ų16847.4 Ų47.4100%1.01828%0.276SS*.THydrogen-bonded Turntrans-57.7-23.8169.2-69.40000113.9
140G89.1Confident93.8Very high69 Ų6959.2 Ų59.271%0.71132%0.317SS*.THydrogen-bonded Turntrans-90.86.517200000114.1S138S138-G140 PolarHBondContact O-N 3.1Å; S138-G140 PolarHBondContact OG-N 3.35Å; S138-G140 VanDerWaalsContact OG-N 3.1Å
141G94.1Very high93.6Very high23 Ų2363.4 Ų63.424%0.23735%0.347CS..BIsolated β-bridgetrans82.4-147.6-166.300000112.1S138S138-G141 WeakPolarHBondContact CB-O 3.42Å; S138-G141 PolarHBondContact N-O 3.31Å; S138-G141 WeakPolarHBondContact O-CA 3.47Å; S138-G141 PolarHBondContact O-N 3.31Å; S138-G141 PolarHBondContact OG-O 3.17Å
142Y96.2Very high93.2Very high24 Ų2467.7 Ų67.79%0.09436%0.363CS..SBendtrans-89.6-21.2-175.7-62.3-65.2000114.4L135 R137 F144 A166 I197 G201 T204L135-Y142 HydrophobicContact CB-CD1 3.85Å; L135-Y142 HydrophobicContact CB-CE1 4.25Å; L135-Y142 HydrophobicContact CD2-CD1 4.36Å; L135-Y142 HydrophobicContact CD2-CG 4.42Å; L135-Y142 WeakPolarHBondContact O-CE1 3.39Å; R137-Y142 HydrophobicContact CB-CD1 4.13Å; R137-Y142 HydrophobicContact CB-CE1 3.57Å; R137-Y142 HydrophobicContact CG-CD1 4.45Å; R137-Y142 HydrophobicContact CG-CE1 4.13Å; Y142-F144 VanDerWaalsContact CB-CE1 3.49Å; Y142-F144 HydrophobicContact CD2-CE1 4.06Å; Y142-F144 AromaticContact CG-CE1 4Å; Y142-F144 HydrophobicContact CG-CE1 4Å; Y142-A166 VanDerWaalsContact O-CB 3.22Å; Y142-A166 WeakPolarHBondContact O-CB 3.26Å; Y142-A166 PolarHBondContact O-N 2.84Å; Y142-A166 VanDerWaalsContact O-N 3.1Å; Y142-I197 HydrophobicContact CD2-CG2 4.41Å; Y142-I197 HydrophobicContact CE2-CG2 3.9Å; Y142-G201 PolarHBondContact OH-O 2.79Å; Y142-T204 HydrophobicContact CD1-CG2 4.33Å; Y142-T204 HydrophobicContact CE1-CG2 3.83Å; Y142-T204 HydrophobicContact CE2-CG2 4.17Å
143G95.7Very high92.8Very high11 Ų1171.2 Ų71.211%0.11339%0.389CS..  trans77.833.6179.700000115.8L160 D161 S164G143-L160 WeakPolarHBondContact O-CA 3.25Å; G143-D161 VanDerWaalsContact CA-OD2 3.26Å; G143-D161 WeakPolarHBondContact CA-OD2 3.44Å; G143-D161 PolarHBondContact O-N 3.31Å; G143-S164 PolarHBondContact O-OG 3.48Å
144F96.8Very high92.7Very high33 Ų3372.1 Ų72.115%0.14540%0.399CS..EExtended strand (participates in β ladder)trans-132.1150.2171.571.1-91.1000112.2L135 Y142 L146 I157 L160 A166 L171 I197 L206L135-F144 HydrophobicContact CD2-CD1 3.82Å; L135-F144 HydrophobicContact CD2-CE1 3.77Å; Y142-F144 VanDerWaalsContact CB-CE1 3.49Å; Y142-F144 HydrophobicContact CD2-CE1 4.06Å; Y142-F144 AromaticContact CG-CE1 4Å; Y142-F144 HydrophobicContact CG-CE1 4Å; F144-L146 HydrophobicContact CD2-CB 4.44Å; F144-L146 HydrophobicContact CE2-CB 4.16Å; F144-L146 HydrophobicContact CE2-CD1 4.36Å; F144-I157 HydrophobicContact CD2-CD1 3.69Å; F144-I157 HydrophobicContact CE2-CD1 4.11Å; F144-I157 HydrophobicContact CG-CD1 4.4Å; F144-L160 HydrophobicContact CB-CD2 3.44Å; F144-L160 VanDerWaalsContact CB-CD2 3.44Å; F144-A166 HydrophobicContact CB-CB 3.84Å; F144-A166 HydrophobicContact CD1-CB 4Å; F144-A166 HydrophobicContact CG-CB 4.39Å; F144-L171 HydrophobicContact CD1-CD1 4.39Å; F144-L171 HydrophobicContact CG-CD1 4.46Å; F144-I197 HydrophobicContact CZ-CD1 4.37Å; F144-L206 HydrophobicContact CE1-CD1 4.06Å; F144-L206 HydrophobicContact CZ-CD1 3.96Å
145N96.2Very high92.7Very high77 Ų7769.4 Ų69.441%0.41239%0.386SS..EExtended strand (participates in β ladder)trans-105.5113175.9-75.7-96.6000110.2R158 S159N145-R158 HydrophobicContact CB-CB 4.31Å; N145-R158 PolarHBondContact O-N 2.65Å; N145-S159 PolarHBondContact N-O 2.87Å; N145-S159 PolarHBondContact ND2-OG 3.06Å
146L95.6Very high92.7Very high29 Ų2970.3 Ų70.315%0.15239%0.39CS..EExtended strand (participates in β ladder)trans-87.8141.3175.2-163.870.5000110.9F144 Q155 I157 L177 H190 V193 V194 I197F144-L146 HydrophobicContact CD2-CB 4.44Å; F144-L146 HydrophobicContact CE2-CB 4.16Å; F144-L146 HydrophobicContact CE2-CD1 4.36Å; L146-Q155 HydrophobicContact CD1-CB 3.95Å; L146-Q155 HydrophobicContact CD2-CB 4.22Å; L146-Q155 HydrophobicContact CD2-CG 4.47Å; L146-Q155 HydrophobicContact CG-CB 4.18Å; L146-I157 HydrophobicContact CD1-CD1 4.02Å; L146-L177 HydrophobicContact CD1-CD2 4.11Å; L146-H190 PolarHBondContact O-CE1 3.27Å; L146-V193 HydrophobicContact CD2-CG1 3.96Å; L146-V194 HydrophobicContact CD2-CG2 4.08Å; L146-I197 HydrophobicContact CD2-CD1 4.35Å
147H93.6Very high92.7Very high77 Ų7767.1 Ų67.136%0.35637%0.37SS..EExtended strand (participates in β ladder)trans-141.2144.2179.5-175.253.2000112.3Y156 R158H147-Y156 PolarHBondContact N-O 3.2Å; H147-Y156 PolarHBondContact O-N 2.91Å; H147-R158 HydrophobicContact CB-CB 4.19Å; H147-R158 PolarHBondContact CD2-NH2 3.47Å; H147-R158 VanDerWaalsContact CD2-NH2 3.31Å; H147-R158 PolarHBondContact CE1-NH2 2.83Å; H147-R158 PolarHBondContact ND1-NH2 3.07Å; H147-R158 PolarHBondContact NE2-NH2 3.17Å
148S93Very high92.7Very high40 Ų4069.3 Ų69.328%0.2838%0.378SS..  trans-102.9133.3166.3-54.40000110.5Q155 H190S148-Q155 PolarHBondContact OG-NE2 3.33Å; S148-Q155 PolarHBondContact OG-OE1 3.35Å; S148-H190 WeakPolarHBondContact OG-CB 3.45Å; S148-H190 PolarHBondContact OG-ND1 3.13Å
149D88.3Confident92.9Very high44 Ų4469 Ų6924%0.23538%0.376CS..  trans-87.9138.9172.7-168.5-26.7000109.6S151 R152D149-S151 VanDerWaalsContact C-N 3.32Å; D149-S151 VanDerWaalsContact CG-OG 3.28Å; D149-S151 WeakPolarHBondContact OD1-CB 3.43Å; D149-S151 PolarHBondContact OD1-N 3.05Å; D149-S151 PolarHBondContact OD1-OG 3.12Å; D149-S151 PolarHBondContact OD2-OG 3.42Å; D149-R152 HydrophobicContact CB-CB 4.17Å; D149-R152 IonicContact OD2-CZ 2.75Å; D149-R152 VanDerWaalsContact OD2-CZ 3.31Å; D149-R152 IonicContact OD2-NE 2.86Å; D149-R152 PolarHBondContact OD2-NE 3.35Å; D149-R152 IonicContact OD2-NH2 2.69Å; D149-R152 PolarHBondContact OD2-NH2 2.89Å
150R83.7Confident93.1Very high263 Ų26362.2 Ų62.299%0.99233%0.334SS*.SBendtrans-76.6-21.2173.7-98-174.1172.3-175.7-2.2112.7
151S88.6Confident93.4Very high92 Ų9262.8 Ų62.864%0.64332%0.321SS*.SBendtrans-95.5-19.5-178.170.10000113.6D149D149-S151 VanDerWaalsContact C-N 3.32Å; D149-S151 VanDerWaalsContact CG-OG 3.28Å; D149-S151 WeakPolarHBondContact OD1-CB 3.43Å; D149-S151 PolarHBondContact OD1-N 3.05Å; D149-S151 PolarHBondContact OD1-OG 3.12Å; D149-S151 PolarHBondContact OD2-OG 3.42Å
152R86.8Confident93.4Very high132 Ų13267.4 Ų67.450%0.49835%0.346SS..SBendtrans-134.2119.3-176-65.1-179.2-63.51557.4111.1D149 G154 Y156D149-R152 HydrophobicContact CB-CB 4.17Å; D149-R152 IonicContact OD2-CZ 2.75Å; D149-R152 VanDerWaalsContact OD2-CZ 3.31Å; D149-R152 IonicContact OD2-NE 2.86Å; D149-R152 PolarHBondContact OD2-NE 3.35Å; D149-R152 IonicContact OD2-NH2 2.69Å; D149-R152 PolarHBondContact OD2-NH2 2.89Å; R152-G154 PolarHBondContact O-N 3.39Å; R152-Y156 HydrophobicContact CB-CE2 4.39Å
153P88Confident93.4Very high115 Ų11568.9 Ų68.975%0.74737%0.369SS*.  trans-70.9121.5-177.328-33.9000111.9R176P153-R176 PolarHBondContact O-NH1 2.93Å
154G92.3Very high93.4Very high23 Ų2368.9 Ų68.924%0.23737%0.367CS..SBendtrans156.1-177.1176.300000112.9R152R152-G154 PolarHBondContact O-N 3.39Å
155Q96.1Very high93.4Very high7 Ų768.8 Ų68.83%0.03337%0.37CS..EExtended strand (participates in β ladder)trans-116134.3167.1-56-58.7-34.400108.1L146 S148 L177 I185 M188 H190 V193L146-Q155 HydrophobicContact CD1-CB 3.95Å; L146-Q155 HydrophobicContact CD2-CB 4.22Å; L146-Q155 HydrophobicContact CD2-CG 4.47Å; L146-Q155 HydrophobicContact CG-CB 4.18Å; S148-Q155 PolarHBondContact OG-NE2 3.33Å; S148-Q155 PolarHBondContact OG-OE1 3.35Å; Q155-L177 HydrophobicContact CB-CB 4.29Å; Q155-L177 PolarHBondContact O-N 3.5Å; Q155-I185 HydrophobicContact CB-CD1 3.99Å; Q155-I185 HydrophobicContact CG-CD1 3.75Å; Q155-M188 PolarHBondContact NE2-O 3.48Å; Q155-H190 PolarHBondContact OE1-ND1 2.93Å; Q155-V193 HydrophobicContact CG-CB 4.22Å; Q155-V193 HydrophobicContact CG-CG1 4.19Å; Q155-V193 HydrophobicContact CG-CG2 3.92Å
156Y96.3Very high93.4Very high19 Ų1965.1 Ų65.18%0.07535%0.351CS..EExtended strand (participates in β ladder)trans-128.7142.7-172.6-66-88.4000111.3H147 R152 R158 D175 R176H147-Y156 PolarHBondContact N-O 3.2Å; H147-Y156 PolarHBondContact O-N 2.91Å; R152-Y156 HydrophobicContact CB-CE2 4.39Å; Y156-R158 PolarHBondContact O-N 3.09Å; Y156-D175 CarbonylContact C-O 3.53Å; Y156-D175 VanDerWaalsContact CA-O 3.25Å; Y156-D175 WeakPolarHBondContact CA-O 3.42Å; Y156-R176 HydrophobicContact CD1-CB 3.88Å; Y156-R176 HydrophobicContact CD1-CG 4.11Å; Y156-R176 HydrophobicContact CE1-CB 3.59Å; Y156-R176 HydrophobicContact CE1-CG 3.65Å; Y156-R176 WeakPolarHBondContact OH-CD 3.25Å
157I96.4Very high93.4Very high2 Ų268.1 Ų68.11%0.0136%0.364CS..EExtended strand (participates in β ladder)trans-75.5117.8171.6-54.7-59.6000108.6F144 L146 L160 L171 R172 Q174 D175F144-I157 HydrophobicContact CD2-CD1 3.69Å; F144-I157 HydrophobicContact CE2-CD1 4.11Å; F144-I157 HydrophobicContact CG-CD1 4.4Å; L146-I157 HydrophobicContact CD1-CD1 4.02Å; I157-L160 HydrophobicContact CG2-CD2 3.66Å; I157-L160 HydrophobicContact CG2-CG 4.26Å; I157-L171 HydrophobicContact CD1-CD1 4.44Å; I157-R172 WeakPolarHBondContact CB-O 3.39Å; I157-R172 WeakPolarHBondContact CG2-O 3.47Å; I157-Q174 PolarHBondContact O-N 2.96Å; I157-D175 HydrophobicContact CB-CB 4.15Å; I157-D175 HydrophobicContact CG1-CB 3.8Å; I157-D175 PolarHBondContact N-O 3.41Å
158R95.6Very high93.5Very high154 Ų15471 Ų7158%0.58138%0.381SS*.EExtended strand (participates in β ladder)trans-84.9-44.3178.9176.5179.5-79.8-160.4-6.9112.1N145 H147 Y156N145-R158 HydrophobicContact CB-CB 4.31Å; N145-R158 PolarHBondContact O-N 2.65Å; H147-R158 HydrophobicContact CB-CB 4.19Å; H147-R158 PolarHBondContact CD2-NH2 3.47Å; H147-R158 VanDerWaalsContact CD2-NH2 3.31Å; H147-R158 PolarHBondContact CE1-NH2 2.83Å; H147-R158 PolarHBondContact ND1-NH2 3.07Å; H147-R158 PolarHBondContact NE2-NH2 3.17Å; Y156-R158 PolarHBondContact O-N 3.09Å
159S96.1Very high93.6Very high46 Ų4670.4 Ų70.432%0.32238%0.379SS..EExtended strand (participates in β ladder)trans-161.7157.8-177.255.70000110.7N145N145-S159 PolarHBondContact N-O 2.87Å; N145-S159 PolarHBondContact ND2-OG 3.06Å
160L96.5Very high93.9Very high27 Ų2770 Ų7014%0.14138%0.384CS..EExtended strand (participates in β ladder)trans-119.6150.9176.1-56.9179.1000109.1G143 F144 I157 A166 E167 L171G143-L160 WeakPolarHBondContact O-CA 3.25Å; F144-L160 HydrophobicContact CB-CD2 3.44Å; F144-L160 VanDerWaalsContact CB-CD2 3.44Å; I157-L160 HydrophobicContact CG2-CD2 3.66Å; I157-L160 HydrophobicContact CG2-CG 4.26Å; L160-A166 HydrophobicContact CD2-CB 3.93Å; L160-E167 HydrophobicContact CD1-CB 4.32Å; L160-L171 HydrophobicContact CD1-CB 4.03Å; L160-L171 WeakPolarHBondContact CD1-O 3.49Å; L160-L171 HydrophobicContact CD2-CB 4.17Å
161D96Very high94.5Very high80 Ų8057.7 Ų57.743%0.42834%0.338SS..  trans-88.9131.1173.5-59.8-44.5000109.3G143 G163 S164G143-D161 VanDerWaalsContact CA-OD2 3.26Å; G143-D161 WeakPolarHBondContact CA-OD2 3.44Å; G143-D161 PolarHBondContact O-N 3.31Å; D161-G163 PolarHBondContact O-N 2.96Å; D161-S164 WeakPolarHBondContact O-CB 3.45Å; D161-S164 PolarHBondContact O-N 2.82Å; D161-S164 VanDerWaalsContact O-N 3.1Å; D161-S164 PolarHBondContact O-OG 3.42Å
162P94.8Very high94.8Very high120 Ų12059.4 Ų59.478%0.77933%0.331SS*.THydrogen-bonded Turntrans-60.3132.3-176.2-27.235.8000113.7S164 E167P162-S164 VanDerWaalsContact C-N 3.26Å; P162-S164 PolarHBondContact O-N 2.96Å; P162-E167 WeakPolarHBondContact CA-OE2 3.32Å
163G94.4Very high95.3Very high56 Ų5656.4 Ų56.458%0.57733%0.328SS*.THydrogen-bonded Turntrans73.512.2-176.300000114.6D161 E167D161-G163 PolarHBondContact O-N 2.96Å; G163-E167 PolarHBondContact N-OE2 2.65Å
164S96Very high95.6Very high10 Ų1057.7 Ų57.77%0.0732%0.324CS..  trans-73.9158.8178.360.80000113.4G143 D161 P162 A166 E167 L168G143-S164 PolarHBondContact O-OG 3.48Å; D161-S164 WeakPolarHBondContact O-CB 3.45Å; D161-S164 PolarHBondContact O-N 2.82Å; D161-S164 VanDerWaalsContact O-N 3.1Å; D161-S164 PolarHBondContact O-OG 3.42Å; P162-S164 VanDerWaalsContact C-N 3.26Å; P162-S164 PolarHBondContact O-N 2.96Å; S164-A166 PolarHBondContact O-N 2.84Å; S164-E167 PolarHBondContact O-N 2.83Å; S164-E167 PolarHBondContact OG-N 3.34Å; S164-L168 WeakPolarHBondContact O-CB 3.42Å; S164-L168 VanDerWaalsContact O-CG 3.32Å; S164-L168 WeakPolarHBondContact O-CG 3.39Å; S164-L168 PolarHBondContact O-N 3.12Å
165P96.6Very high95.8Very high32 Ų3256.6 Ų56.621%0.20831%0.313CS..Hα-helixtrans-53.6-32.6168.3-25.534.2000113.3T136 A169T136-P165 WeakPolarHBondContact O-CB 3.44Å; T136-P165 WeakPolarHBondContact O-CG 3.48Å; P165-A169 WeakPolarHBondContact O-CB 3.33Å; P165-A169 PolarHBondContact O-N 2.94Å
166A97Very high95.8Very high0 Ų056.8 Ų56.80%031%0.314CS..Hα-helixtrans-65.7-46.5176.600000113.8L135 Y142 F144 L160 S164 A169 L171L135-A166 HydrophobicContact CD2-CB 3.79Å; Y142-A166 VanDerWaalsContact O-CB 3.22Å; Y142-A166 WeakPolarHBondContact O-CB 3.26Å; Y142-A166 PolarHBondContact O-N 2.84Å; Y142-A166 VanDerWaalsContact O-N 3.1Å; F144-A166 HydrophobicContact CB-CB 3.84Å; F144-A166 HydrophobicContact CD1-CB 4Å; F144-A166 HydrophobicContact CG-CB 4.39Å; L160-A166 HydrophobicContact CD2-CB 3.93Å; S164-A166 PolarHBondContact O-N 2.84Å; A166-A169 PolarHBondContact O-N 2.87Å; A166-L171 HydrophobicContact CB-CD1 3.95Å; A166-L171 WeakPolarHBondContact O-CB 3.36Å; A166-L171 PolarHBondContact O-N 2.88Å
167E95.8Very high95.8Very high92 Ų9256.1 Ų56.143%0.4331%0.311SS..Hα-helixtrans-67.7-42.3176.6-174.1177.4-128.600111.1L160 P162 G163 S164 A169 G170L160-E167 HydrophobicContact CD1-CB 4.32Å; P162-E167 WeakPolarHBondContact CA-OE2 3.32Å; G163-E167 PolarHBondContact N-OE2 2.65Å; S164-E167 PolarHBondContact O-N 2.83Å; S164-E167 PolarHBondContact OG-N 3.34Å; E167-A169 VanDerWaalsContact C-N 3.29Å; E167-A169 PolarHBondContact O-N 2.98Å; E167-G170 WeakPolarHBondContact O-CA 3.36Å; E167-G170 PolarHBondContact O-N 3.01Å
168L95.4Very high95.8Very high138 Ų13856 Ų5672%0.72331%0.311SS*.Hα-helixtrans-66.1-29.4177.1-65.3172.3000113S164 G170S164-L168 WeakPolarHBondContact O-CB 3.42Å; S164-L168 VanDerWaalsContact O-CG 3.32Å; S164-L168 WeakPolarHBondContact O-CG 3.39Å; S164-L168 PolarHBondContact O-N 3.12Å; L168-G170 PolarHBondContact O-N 3.42Å
169A95.1Very high95.8Very high27 Ų2749.7 Ų49.722%0.22329%0.288CS..THydrogen-bonded Turntrans-75.5-0.8170.900000113.7C133 H134 L135 P165 A166 E167C133-A169 HydrophobicContact CB-CB 4.05Å; C133-A169 WeakPolarHBondContact CB-O 3.16Å; C133-A169 PolarHBondContact SG-O 3.32Å; H134-A169 WeakPolarHBondContact O-CB 3.29Å; L135-A169 HydrophobicContact CD1-CB 3.77Å; L135-A169 HydrophobicContact CG-CB 3.86Å; P165-A169 WeakPolarHBondContact O-CB 3.33Å; P165-A169 PolarHBondContact O-N 2.94Å; A166-A169 PolarHBondContact O-N 2.87Å; E167-A169 VanDerWaalsContact C-N 3.29Å; E167-A169 PolarHBondContact O-N 2.98Å
170G94.5Very high95.8Very high34 Ų3447.5 Ų47.535%0.35127%0.272SS..THydrogen-bonded Turntrans78.720.2176.100000115.3R131 E167 L168R131-G170 PolarHBondContact NH1-O 2.87Å; E167-G170 WeakPolarHBondContact O-CA 3.36Å; E167-G170 PolarHBondContact O-N 3.01Å; L168-G170 PolarHBondContact O-N 3.42Å
171L96.4Very high95.7Very high6 Ų649.1 Ų49.13%0.03128%0.281CS..  trans-63.9158.1165.8-72.4176.7000110.4C133 L135 F144 I157 L160 A166 L206 V208C133-L171 HydrophobicContact CB-CD2 3.9Å; C133-L171 HydrophobicContact CB-CG 4Å; L135-L171 HydrophobicContact CD1-CD1 4.24Å; L135-L171 HydrophobicContact CD2-CD1 3.88Å; F144-L171 HydrophobicContact CD1-CD1 4.39Å; F144-L171 HydrophobicContact CG-CD1 4.46Å; I157-L171 HydrophobicContact CD1-CD1 4.44Å; L160-L171 HydrophobicContact CD1-CB 4.03Å; L160-L171 WeakPolarHBondContact CD1-O 3.49Å; L160-L171 HydrophobicContact CD2-CB 4.17Å; A166-L171 HydrophobicContact CB-CD1 3.95Å; A166-L171 WeakPolarHBondContact O-CB 3.36Å; A166-L171 PolarHBondContact O-N 2.88Å; L171-L206 HydrophobicContact CD1-CD1 4.14Å; L171-V208 HydrophobicContact CD2-CB 4.37Å; L171-V208 HydrophobicContact CD2-CG1 3.61Å; L171-V208 HydrophobicContact CD2-CG2 3.9Å
172R95.9Very high95.5Very high128 Ų12848.2 Ų48.248%0.48329%0.291SS..  trans-134.7152.8175-56.2177.2-177.9159.1-5.4111.1I157 D175 D210I157-R172 WeakPolarHBondContact CB-O 3.39Å; I157-R172 WeakPolarHBondContact CG2-O 3.47Å; R172-D175 PolarHBondContact N-OD2 2.82Å; R172-D175 VanDerWaalsContact O-CB 3.31Å; R172-D175 WeakPolarHBondContact O-CB 3.29Å; R172-D175 PolarHBondContact O-N 2.98Å; R172-D210 IonicContact CZ-OD1 2.76Å; R172-D210 IonicContact NH1-OD1 3.75Å; R172-D210 PolarHBondContact NH1-OD1 2.91Å; R172-D210 IonicContact NH1-OD2 2.97Å
173P96.3Very high95.4Very high69 Ų6945.7 Ų45.745%0.44827%0.273SS..THydrogen-bonded Turntrans-58.1146.9165.3-21.533.6000111.1D175P173-D175 VanDerWaalsContact C-N 3.27Å; P173-D175 PolarHBondContact O-N 2.94Å
174Q95.4Very high95.4Very high142 Ų14246.3 Ų46.366%0.66426%0.263SS*.THydrogen-bonded Turntrans76.1-7.8-175.4-48.4179.969.600116.3I157 R176 P211I157-Q174 PolarHBondContact O-N 2.96Å; Q174-R176 PolarHBondContact O-N 2.88Å; Q174-P211 HydrophobicContact CB-CG 3.94Å
175D96.1Very high95.3Very high0 Ų046 Ų460%026%0.261CS..PPolyproline II helixtrans-52.2131172.9-77.3-0000112.2R131 Y156 I157 R172 P173 V208 V209R131-D175 IonicContact CZ-OD1 2.87Å; R131-D175 IonicContact CZ-OD2 3.28Å; R131-D175 IonicContact NH1-OD1 3.73Å; R131-D175 IonicContact NH1-OD2 3.79Å; R131-D175 PolarHBondContact NH1-OD2 3.01Å; R131-D175 IonicContact NH2-OD1 3.32Å; R131-D175 PolarHBondContact NH2-OD1 3.42Å; R131-D175 IonicContact NH2-OD2 2.91Å; R131-D175 PolarHBondContact NH2-OD2 3.38Å; Y156-D175 CarbonylContact C-O 3.53Å; Y156-D175 VanDerWaalsContact CA-O 3.25Å; Y156-D175 WeakPolarHBondContact CA-O 3.42Å; I157-D175 HydrophobicContact CB-CB 4.15Å; I157-D175 HydrophobicContact CG1-CB 3.8Å; I157-D175 PolarHBondContact N-O 3.41Å; R172-D175 PolarHBondContact N-OD2 2.82Å; R172-D175 VanDerWaalsContact O-CB 3.31Å; R172-D175 WeakPolarHBondContact O-CB 3.29Å; R172-D175 PolarHBondContact O-N 2.98Å; P173-D175 VanDerWaalsContact C-N 3.27Å; P173-D175 PolarHBondContact O-N 2.94Å; D175-V208 HydrophobicContact CB-CB 4.08Å; D175-V208 HydrophobicContact CB-CG1 4.4Å; D175-V208 HydrophobicContact CB-CG2 4.42Å; D175-V208 WeakPolarHBondContact OD2-CG2 3.48Å; D175-V209 WeakPolarHBondContact CA-O 3.18Å
176R95.9Very high95Very high11 Ų1148.8 Ų48.84%0.04227%0.271CS..EExtended strand (participates in β ladder)trans-86.5126167-165.3169.691.8110.97.6109.2P153 Y156 Q174 E186 V208 V209 D214P153-R176 PolarHBondContact O-NH1 2.93Å; Y156-R176 HydrophobicContact CD1-CB 3.88Å; Y156-R176 HydrophobicContact CD1-CG 4.11Å; Y156-R176 HydrophobicContact CE1-CB 3.59Å; Y156-R176 HydrophobicContact CE1-CG 3.65Å; Y156-R176 WeakPolarHBondContact OH-CD 3.25Å; Q174-R176 PolarHBondContact O-N 2.88Å; R176-E186 IonicContact CZ-OE1 2.98Å; R176-E186 VanDerWaalsContact CZ-OE1 3.23Å; R176-E186 IonicContact NH1-OE1 3.05Å; R176-E186 PolarHBondContact NH1-OE1 3.1Å; R176-E186 IonicContact NH2-OE1 3.81Å; R176-E186 PolarHBondContact NH2-OE1 3.39Å; R176-V208 CarbonylContact O-C 3.56Å; R176-V208 VanDerWaalsContact O-CA 3.25Å; R176-V208 WeakPolarHBondContact O-CA 3.45Å; R176-V209 HydrophobicContact CB-CG2 3.91Å; R176-V209 PolarHBondContact N-O 2.94Å; R176-V209 PolarHBondContact O-N 2.92Å; R176-D214 IonicContact CZ-OD1 3.23Å; R176-D214 IonicContact NE-OD1 3.64Å; R176-D214 PolarHBondContact NE-OD1 2.89Å; R176-D214 IonicContact NE-OD2 2.73Å; R176-D214 IonicContact NH2-OD1 2.77Å
177L96.5Very high94.6Very high4 Ų452.6 Ų52.62%0.02131%0.31CS..EExtended strand (participates in β ladder)trans-79.4129.1172.3-177.864.3000109.7L146 Q155 E179 V180 I185 V193 I197 L206 V208L146-L177 HydrophobicContact CD1-CD2 4.11Å; Q155-L177 HydrophobicContact CB-CB 4.29Å; Q155-L177 PolarHBondContact O-N 3.5Å; L177-E179 WeakPolarHBondContact CD1-O 3.42Å; L177-V180 HydrophobicContact CD1-CG2 4.18Å; L177-V180 HydrophobicContact CD2-CG2 3.82Å; L177-V180 HydrophobicContact CG-CG2 4.2Å; L177-I185 HydrophobicContact CB-CD1 4.07Å; L177-I185 HydrophobicContact CD2-CD1 3.75Å; L177-I185 HydrophobicContact CG-CD1 3.67Å; L177-I185 HydrophobicContact CG-CG1 4.29Å; L177-V193 HydrophobicContact CD2-CG1 3.95Å; L177-I197 HydrophobicContact CD2-CD1 4.26Å; L177-L206 HydrophobicContact CD1-CB 3.82Å; L177-L206 HydrophobicContact CD1-CD2 3.89Å; L177-L206 HydrophobicContact CD1-CG 4.34Å; L177-V208 HydrophobicContact CD1-CG1 3.96Å
178V95.9Very high94.4Very high1 Ų150.7 Ų50.71%0.00630%0.302CS..EExtended strand (participates in β ladder)trans-115.6-50.3-175.7-171.40000111.1N184 I185 L207 V209 I223 P224V178-N184 WeakPolarHBondContact O-CA 3.5Å; V178-N184 PolarHBondContact O-OD1 3.42Å; V178-N184 VanDerWaalsContact O-OD1 3.08Å; V178-I185 WeakPolarHBondContact O-CG1 3.31Å; V178-I185 PolarHBondContact O-N 3.18Å; V178-L207 HydrophobicContact CB-CD2 4.47Å; V178-L207 PolarHBondContact N-O 2.87Å; V178-V209 HydrophobicContact CG2-CG1 4.5Å; V178-V209 HydrophobicContact CG2-CG2 3.92Å; V178-I223 HydrophobicContact CG1-CG2 4.43Å; V178-P224 HydrophobicContact CG1-CB 4.29Å; V178-P224 WeakPolarHBondContact CG1-O 3.39Å; V178-P224 HydrophobicContact CG2-CB 4.28Å; V178-P224 HydrophobicContact CG2-CG 4.34Å
179E95.9Very high94.3Very high21 Ų2151.4 Ų51.410%0.09830%0.295CS..EExtended strand (participates in β ladder)trans-123.7147.9175.5-54.2174.5-176.300111.4L177 V183 N184 L207 T225L177-E179 WeakPolarHBondContact CD1-O 3.42Å; E179-V183 CarbonylContact C-O 3.58Å; E179-V183 VanDerWaalsContact CA-O 3.27Å; E179-V183 WeakPolarHBondContact CA-O 3.24Å; E179-N184 HydrophobicContact CG-CB 4.49Å; E179-L207 HydrophobicContact CB-CB 3.72Å; E179-L207 HydrophobicContact CB-CD2 4.35Å; E179-L207 HydrophobicContact CG-CB 4.15Å; E179-L207 HydrophobicContact CG-CD2 3.81Å; E179-L207 PolarHBondContact N-O 2.87Å; E179-L207 PolarHBondContact O-N 3.01Å; E179-T225 WeakPolarHBondContact OE1-CA 3.4Å
180V95.9Very high94.3Very high0 Ų053.5 Ų53.50%030%0.3CS..EExtended strand (participates in β ladder)trans-122.2124.5166.5179.10000107.6L177 G182 V183 I185 V193 F196 I197 W205 L206L177-V180 HydrophobicContact CD1-CG2 4.18Å; L177-V180 HydrophobicContact CD2-CG2 3.82Å; L177-V180 HydrophobicContact CG-CG2 4.2Å; V180-G182 PolarHBondContact O-N 2.87Å; V180-V183 PolarHBondContact N-O 3.06Å; V180-V183 PolarHBondContact O-N 2.95Å; V180-I185 HydrophobicContact CB-CG2 4.09Å; V180-I185 HydrophobicContact CG2-CG2 3.72Å; V180-V193 HydrophobicContact CG2-CG1 4.47Å; V180-F196 HydrophobicContact CB-CD1 3.88Å; V180-F196 HydrophobicContact CB-CE1 4.09Å; V180-F196 HydrophobicContact CG1-CD1 3.69Å; V180-F196 HydrophobicContact CG1-CE1 4.01Å; V180-F196 WeakPolarHBondContact O-CE1 3.45Å; V180-I197 HydrophobicContact CB-CG1 4.47Å; V180-I197 HydrophobicContact CG1-CG1 3.72Å; V180-I197 HydrophobicContact CG2-CD1 4.32Å; V180-I197 HydrophobicContact CG2-CG1 3.91Å; V180-W205 CarbonylContact C-O 3.55Å; V180-W205 WeakPolarHBondContact CA-O 3.48Å; V180-L206 HydrophobicContact CB-CD2 4.35Å; V180-L206 HydrophobicContact CG1-CD2 4.06Å; V180-L206 HydrophobicContact CG2-CD2 3.82Å
181N93.6Very high94.3Very high61 Ų6156.4 Ų56.433%0.32631%0.311SS..THydrogen-bonded Turntrans49.640.4-179.9-63.1-35000113.5V183 T204 W205N181-V183 VanDerWaalsContact C-N 3.3Å; N181-V183 PolarHBondContact O-N 3.18Å; N181-T204 WeakPolarHBondContact OD1-CA 3.39Å; N181-W205 PolarHBondContact N-O 2.89Å; N181-W205 PolarHBondContact OD1-N 3.44Å
182G91.7Very high94.2Very high61 Ų6159.3 Ų59.363%0.62932%0.324SS*.THydrogen-bonded Turntrans74.610.6-178.400000115.5V180V180-G182 PolarHBondContact O-N 2.87Å
183V93.6Very high94.1Very high67 Ų6753.2 Ų53.241%0.40630%0.301SS..EExtended strand (participates in β ladder)trans-109.6119.2174.6179.10000109.4E179 V180 N181 I185 F196E179-V183 CarbonylContact C-O 3.58Å; E179-V183 VanDerWaalsContact CA-O 3.27Å; E179-V183 WeakPolarHBondContact CA-O 3.24Å; V180-V183 PolarHBondContact N-O 3.06Å; V180-V183 PolarHBondContact O-N 2.95Å; N181-V183 VanDerWaalsContact C-N 3.3Å; N181-V183 PolarHBondContact O-N 3.18Å; V183-I185 PolarHBondContact O-N 3.27Å; V183-F196 HydrophobicContact CB-CE1 4.08Å; V183-F196 HydrophobicContact CB-CZ 3.85Å; V183-F196 HydrophobicContact CG1-CZ 4.16Å; V183-F196 HydrophobicContact CG2-CE1 4.38Å; V183-F196 HydrophobicContact CG2-CZ 3.8Å
184N94.1Very high94.1Very high68 Ų6851.9 Ų51.936%0.36429%0.292SS..EExtended strand (participates in β ladder)trans-59.6128.4172.8-179.712.5000110.5V178 E179 E186V178-N184 WeakPolarHBondContact O-CA 3.5Å; V178-N184 PolarHBondContact O-OD1 3.42Å; V178-N184 VanDerWaalsContact O-OD1 3.08Å; E179-N184 HydrophobicContact CG-CB 4.49Å; N184-E186 VanDerWaalsContact OD1-CB 3.3Å; N184-E186 WeakPolarHBondContact OD1-CB 3.47Å; N184-E186 PolarHBondContact OD1-N 3.49Å
185I93.8Very high94Very high4 Ų447.9 Ų47.92%0.02128%0.283CS..  trans-101.84.4-179.263.6138.7000113.9Q155 L177 V178 V180 V183 G187 M188 V193Q155-I185 HydrophobicContact CB-CD1 3.99Å; Q155-I185 HydrophobicContact CG-CD1 3.75Å; L177-I185 HydrophobicContact CB-CD1 4.07Å; L177-I185 HydrophobicContact CD2-CD1 3.75Å; L177-I185 HydrophobicContact CG-CD1 3.67Å; L177-I185 HydrophobicContact CG-CG1 4.29Å; V178-I185 WeakPolarHBondContact O-CG1 3.31Å; V178-I185 PolarHBondContact O-N 3.18Å; V180-I185 HydrophobicContact CB-CG2 4.09Å; V180-I185 HydrophobicContact CG2-CG2 3.72Å; V183-I185 PolarHBondContact O-N 3.27Å; I185-G187 PolarHBondContact O-N 3.39Å; I185-M188 HydrophobicContact CB-CG 4.49Å; I185-M188 HydrophobicContact CB-SD 3.94Å; I185-M188 HydrophobicContact CG2-SD 3.91Å; I185-M188 VanDerWaalsContact O-CB 3.28Å; I185-M188 WeakPolarHBondContact O-CB 3.46Å; I185-M188 WeakPolarHBondContact O-CG 3.18Å; I185-M188 PolarHBondContact O-N 3.11Å; I185-V193 HydrophobicContact CB-CG2 4Å; I185-V193 HydrophobicContact CD1-CG1 3.84Å; I185-V193 HydrophobicContact CD1-CG2 3.86Å; I185-V193 HydrophobicContact CG2-CG1 4.5Å; I185-V193 HydrophobicContact CG2-CG2 4.32Å
186E90.3Very high93.9Very high90 Ų9050.6 Ų50.642%0.42130%0.295SS..THydrogen-bonded Turntrans-59.6129.1180-171.5151-112.500111.6R176 N184 M188R176-E186 IonicContact CZ-OE1 2.98Å; R176-E186 VanDerWaalsContact CZ-OE1 3.23Å; R176-E186 IonicContact NH1-OE1 3.05Å; R176-E186 PolarHBondContact NH1-OE1 3.1Å; R176-E186 IonicContact NH2-OE1 3.81Å; R176-E186 PolarHBondContact NH2-OE1 3.39Å; N184-E186 VanDerWaalsContact OD1-CB 3.3Å; N184-E186 WeakPolarHBondContact OD1-CB 3.47Å; N184-E186 PolarHBondContact OD1-N 3.49Å; E186-M188 VanDerWaalsContact C-N 3.33Å
187G88.5Confident93.8Very high80 Ų8050.5 Ų50.583%0.82530%0.295SS*.THydrogen-bonded Turntrans85.2-11.7-173.100000115.7I185I185-G187 PolarHBondContact O-N 3.39Å
188M92.6Very high93.6Very high53 Ų5357.4 Ų57.426%0.26133%0.325SS..  trans-72.5142.7176.4-64.2-177.864.900112.4Q155 I185 E186 E192 V193 F196Q155-M188 PolarHBondContact NE2-O 3.48Å; I185-M188 HydrophobicContact CB-CG 4.49Å; I185-M188 HydrophobicContact CB-SD 3.94Å; I185-M188 HydrophobicContact CG2-SD 3.91Å; I185-M188 VanDerWaalsContact O-CB 3.28Å; I185-M188 WeakPolarHBondContact O-CB 3.46Å; I185-M188 WeakPolarHBondContact O-CG 3.18Å; I185-M188 PolarHBondContact O-N 3.11Å; E186-M188 VanDerWaalsContact C-N 3.33Å; M188-E192 HydrophobicContact CB-CB 4.47Å; M188-E192 HydrophobicContact CE-CB 3.67Å; M188-V193 HydrophobicContact CB-CG2 3.58Å; M188-V193 HydrophobicContact CE-CG2 4.42Å; M188-V193 HydrophobicContact SD-CG2 4.45Å; M188-F196 HydrophobicContact CE-CB 4.47Å
189R92.7Very high93.4Very high152 Ų15265.9 Ų65.957%0.57436%0.362SS*.  trans-73.4153.6175.7-61.6-174.6-54.6-58.6-6110.4T191 E192 V193R189-T191 VanDerWaalsContact C-N 3.26Å; R189-T191 PolarHBondContact O-N 3.35Å; R189-T191 VanDerWaalsContact O-N 3.14Å; R189-E192 HydrophobicContact CB-CG 4.36Å; R189-E192 WeakPolarHBondContact CB-OE2 3.49Å; R189-E192 IonicContact CZ-OE1 3.09Å; R189-E192 IonicContact CZ-OE2 3.34Å; R189-E192 PolarHBondContact N-OE2 3.43Å; R189-E192 IonicContact NH1-OE1 2.78Å; R189-E192 PolarHBondContact NH1-OE1 2.93Å; R189-E192 IonicContact NH1-OE2 2.88Å; R189-E192 PolarHBondContact NH1-OE2 3.09Å; R189-E192 IonicContact NH2-OE1 2.71Å; R189-E192 PolarHBondContact NH2-OE1 3.2Å; R189-E192 IonicContact NH2-OE2 3.69Å; R189-E192 WeakPolarHBondContact O-CB 3.38Å; R189-E192 PolarHBondContact O-N 2.73Å; R189-V193 PolarHBondContact O-N 2.81Å; R189-V193 VanDerWaalsContact O-N 3.11Å
190H94.1Very high92.9Very high71 Ų7166.6 Ų66.633%0.32938%0.375SS..Hα-helixtrans-47.6-47.3-178.3-171.963.1000113.5L146 S148 Q155 E192 V193 V194L146-H190 PolarHBondContact O-CE1 3.27Å; S148-H190 WeakPolarHBondContact OG-CB 3.45Å; S148-H190 PolarHBondContact OG-ND1 3.13Å; Q155-H190 PolarHBondContact OE1-ND1 2.93Å; H190-E192 VanDerWaalsContact C-N 3.32Å; H190-E192 PolarHBondContact O-N 3.31Å; H190-V193 PolarHBondContact O-N 2.77Å; H190-V194 WeakPolarHBondContact O-CG2 3.45Å; H190-V194 PolarHBondContact O-N 3.12Å
191T94.3Very high92.7Very high96 Ų9667.8 Ų67.859%0.58939%0.387SS*.Hα-helixtrans-66-32.1-179.447.20000113.1R189 A195R189-T191 VanDerWaalsContact C-N 3.26Å; R189-T191 PolarHBondContact O-N 3.35Å; R189-T191 VanDerWaalsContact O-N 3.14Å; T191-A195 WeakPolarHBondContact O-CB 3.5Å; T191-A195 PolarHBondContact O-N 2.81Å
192E94.2Very high92.7Very high66 Ų6669 Ų6931%0.30839%0.394SS..Hα-helixtrans-72.2-43.1176.6-62.1172.4138.500110.8M188 R189 H190 A195 F196M188-E192 HydrophobicContact CB-CB 4.47Å; M188-E192 HydrophobicContact CE-CB 3.67Å; R189-E192 HydrophobicContact CB-CG 4.36Å; R189-E192 WeakPolarHBondContact CB-OE2 3.49Å; R189-E192 IonicContact CZ-OE1 3.09Å; R189-E192 IonicContact CZ-OE2 3.34Å; R189-E192 PolarHBondContact N-OE2 3.43Å; R189-E192 IonicContact NH1-OE1 2.78Å; R189-E192 PolarHBondContact NH1-OE1 2.93Å; R189-E192 IonicContact NH1-OE2 2.88Å; R189-E192 PolarHBondContact NH1-OE2 3.09Å; R189-E192 IonicContact NH2-OE1 2.71Å; R189-E192 PolarHBondContact NH2-OE1 3.2Å; R189-E192 IonicContact NH2-OE2 3.69Å; R189-E192 WeakPolarHBondContact O-CB 3.38Å; R189-E192 PolarHBondContact O-N 2.73Å; H190-E192 VanDerWaalsContact C-N 3.32Å; H190-E192 PolarHBondContact O-N 3.31Å; E192-A195 PolarHBondContact O-N 2.8Å; E192-F196 VanDerWaalsContact O-CB 3.28Å; E192-F196 WeakPolarHBondContact O-CB 3.35Å; E192-F196 PolarHBondContact O-N 2.83Å
193V95.1Very high92.9Very high0 Ų071 Ų710%039%0.386CS..Hα-helixtrans-64.9-45176.6178.80000111.2L146 Q155 L177 V180 I185 M188 R189 H190 A195 F196 I197L146-V193 HydrophobicContact CD2-CG1 3.96Å; Q155-V193 HydrophobicContact CG-CB 4.22Å; Q155-V193 HydrophobicContact CG-CG1 4.19Å; Q155-V193 HydrophobicContact CG-CG2 3.92Å; L177-V193 HydrophobicContact CD2-CG1 3.95Å; V180-V193 HydrophobicContact CG2-CG1 4.47Å; I185-V193 HydrophobicContact CB-CG2 4Å; I185-V193 HydrophobicContact CD1-CG1 3.84Å; I185-V193 HydrophobicContact CD1-CG2 3.86Å; I185-V193 HydrophobicContact CG2-CG1 4.5Å; I185-V193 HydrophobicContact CG2-CG2 4.32Å; M188-V193 HydrophobicContact CB-CG2 3.58Å; M188-V193 HydrophobicContact CE-CG2 4.42Å; M188-V193 HydrophobicContact SD-CG2 4.45Å; R189-V193 PolarHBondContact O-N 2.81Å; R189-V193 VanDerWaalsContact O-N 3.11Å; H190-V193 PolarHBondContact O-N 2.77Å; V193-A195 VanDerWaalsContact C-N 3.32Å; V193-A195 PolarHBondContact O-N 2.91Å; V193-F196 PolarHBondContact O-N 2.86Å; V193-F196 VanDerWaalsContact O-N 3.17Å; V193-I197 HydrophobicContact CG1-CD1 3.92Å; V193-I197 HydrophobicContact CG1-CG1 4.5Å; V193-I197 WeakPolarHBondContact O-CG1 3.22Å; V193-I197 PolarHBondContact O-N 2.88Å
194V95.1Very high93Very high42 Ų4267.8 Ų67.826%0.25537%0.367SS..Hα-helixtrans-63.1-38.6175.7171.70000111.5L146 H190 K198L146-V194 HydrophobicContact CD2-CG2 4.08Å; H190-V194 WeakPolarHBondContact O-CG2 3.45Å; H190-V194 PolarHBondContact O-N 3.12Å; V194-K198 HydrophobicContact CG1-CD 4.17Å; V194-K198 WeakPolarHBondContact O-CB 3.25Å; V194-K198 VanDerWaalsContact O-CG 3.27Å; V194-K198 WeakPolarHBondContact O-CG 3.4Å; V194-K198 PolarHBondContact O-N 3.42Å; V194-K198 VanDerWaalsContact O-N 3.12Å
195A94.2Very high93.1Very high57 Ų5770 Ų7047%0.47137%0.37SS..Hα-helixtrans-67.2-37.5173.600000112.2T191 E192 V193 K198 K199T191-A195 WeakPolarHBondContact O-CB 3.5Å; T191-A195 PolarHBondContact O-N 2.81Å; E192-A195 PolarHBondContact O-N 2.8Å; V193-A195 VanDerWaalsContact C-N 3.32Å; V193-A195 PolarHBondContact O-N 2.91Å; A195-K198 PolarHBondContact O-N 2.69Å; A195-K199 WeakPolarHBondContact O-CB 3.14Å; A195-K199 PolarHBondContact O-N 2.75Å
196F94.1Very high93.2Very high58 Ų5869.8 Ų69.825%0.25437%0.369SS..Hα-helixtrans-68.2-45.1179.8-165.4-91.8000112V180 V183 M188 E192 V193 K198 K199 G200V180-F196 HydrophobicContact CB-CD1 3.88Å; V180-F196 HydrophobicContact CB-CE1 4.09Å; V180-F196 HydrophobicContact CG1-CD1 3.69Å; V180-F196 HydrophobicContact CG1-CE1 4.01Å; V180-F196 WeakPolarHBondContact O-CE1 3.45Å; V183-F196 HydrophobicContact CB-CE1 4.08Å; V183-F196 HydrophobicContact CB-CZ 3.85Å; V183-F196 HydrophobicContact CG1-CZ 4.16Å; V183-F196 HydrophobicContact CG2-CE1 4.38Å; V183-F196 HydrophobicContact CG2-CZ 3.8Å; M188-F196 HydrophobicContact CE-CB 4.47Å; E192-F196 VanDerWaalsContact O-CB 3.28Å; E192-F196 WeakPolarHBondContact O-CB 3.35Å; E192-F196 PolarHBondContact O-N 2.83Å; V193-F196 PolarHBondContact O-N 2.86Å; V193-F196 VanDerWaalsContact O-N 3.17Å; F196-K198 PolarHBondContact O-N 2.99Å; F196-K199 WeakPolarHBondContact O-CB 3.26Å; F196-K199 PolarHBondContact O-N 3.45Å; F196-K199 VanDerWaalsContact O-N 3.17Å; F196-G200 PolarHBondContact O-N 3.39Å
197I94.4Very high93.5Very high9 Ų965.5 Ų65.55%0.04635%0.35CS..Hα-helixtrans-59-46.9172.3-65.1163000110.3Y142 F144 L146 L177 V180 V193 K199 G200 T204 L206Y142-I197 HydrophobicContact CD2-CG2 4.41Å; Y142-I197 HydrophobicContact CE2-CG2 3.9Å; F144-I197 HydrophobicContact CZ-CD1 4.37Å; L146-I197 HydrophobicContact CD2-CD1 4.35Å; L177-I197 HydrophobicContact CD2-CD1 4.26Å; V180-I197 HydrophobicContact CB-CG1 4.47Å; V180-I197 HydrophobicContact CG1-CG1 3.72Å; V180-I197 HydrophobicContact CG2-CD1 4.32Å; V180-I197 HydrophobicContact CG2-CG1 3.91Å; V193-I197 HydrophobicContact CG1-CD1 3.92Å; V193-I197 HydrophobicContact CG1-CG1 4.5Å; V193-I197 WeakPolarHBondContact O-CG1 3.22Å; V193-I197 PolarHBondContact O-N 2.88Å; I197-K199 VanDerWaalsContact C-N 3.25Å; I197-K199 PolarHBondContact O-N 3.44Å; I197-G200 PolarHBondContact O-N 2.73Å; I197-G200 VanDerWaalsContact O-N 3.1Å; I197-T204 HydrophobicContact CG2-CG2 4.25Å; I197-L206 HydrophobicContact CD1-CD2 4.44Å; I197-L206 HydrophobicContact CG1-CD2 4.35Å
198K92.4Very high93.9Very high149 Ų14961.7 Ų61.765%0.64831%0.31SS*.Hα-helixtrans-63.6-28.7177.6-74.5176.7178.7-176.20113.3V194 A195 F196 G200 G201V194-K198 HydrophobicContact CG1-CD 4.17Å; V194-K198 WeakPolarHBondContact O-CB 3.25Å; V194-K198 VanDerWaalsContact O-CG 3.27Å; V194-K198 WeakPolarHBondContact O-CG 3.4Å; V194-K198 PolarHBondContact O-N 3.42Å; V194-K198 VanDerWaalsContact O-N 3.12Å; A195-K198 PolarHBondContact O-N 2.69Å; F196-K198 PolarHBondContact O-N 2.99Å; K198-G200 VanDerWaalsContact C-N 3.28Å; K198-G200 PolarHBondContact O-N 3.13Å; K198-G201 PolarHBondContact O-N 2.69Å
199K90.8Very high94Very high179 Ų17959.2 Ų59.278%0.77830%0.298SS*.Hα-helixtrans-71.5-20175.6-169.9-178175.1-169.60113A195 F196 I197 G201A195-K199 WeakPolarHBondContact O-CB 3.14Å; A195-K199 PolarHBondContact O-N 2.75Å; F196-K199 WeakPolarHBondContact O-CB 3.26Å; F196-K199 PolarHBondContact O-N 3.45Å; F196-K199 VanDerWaalsContact O-N 3.17Å; I197-K199 VanDerWaalsContact C-N 3.25Å; I197-K199 PolarHBondContact O-N 3.44Å; K199-G201 PolarHBondContact O-N 3.19Å
200G84.9Confident94.1Very high36 Ų3653.2 Ų53.237%0.37128%0.277SS..THydrogen-bonded Turntrans-64.5-18.2170.600000114F196 I197 K198F196-G200 PolarHBondContact O-N 3.39Å; I197-G200 PolarHBondContact O-N 2.73Å; I197-G200 VanDerWaalsContact O-N 3.1Å; K198-G200 VanDerWaalsContact C-N 3.28Å; K198-G200 PolarHBondContact O-N 3.13Å
201G91.6Very high94.1Very high25 Ų2552.5 Ų52.526%0.25828%0.279SS..THydrogen-bonded Turntrans89-111.4178.800000112R137 Y142 K198 K199R137-G201 PolarHBondContact NH1-O 3.48Å; Y142-G201 PolarHBondContact OH-O 2.79Å; K198-G201 PolarHBondContact O-N 2.69Å; K199-G201 PolarHBondContact O-N 3.19Å
202D94.5Very high94Very high86 Ų8653.2 Ų53.246%0.4628%0.276SS..THydrogen-bonded Turntrans-104.1-7.9-177-75.1-79.3000113.8T136 R137T136-D202 CarbonylContact C-O 3.58Å; T136-D202 WeakPolarHBondContact CA-O 3.48Å; R137-D202 HydrophobicContact CB-CB 4.29Å; R137-D202 VanDerWaalsContact CB-O 3.24Å; R137-D202 WeakPolarHBondContact CB-O 3.43Å; R137-D202 IonicContact CZ-OD1 2.69Å; R137-D202 IonicContact CZ-OD2 3.39Å; R137-D202 PolarHBondContact N-O 2.91Å; R137-D202 IonicContact NE-OD1 2.79Å; R137-D202 PolarHBondContact NE-OD1 2.87Å; R137-D202 IonicContact NH2-OD1 3.99Å; R137-D202 PolarHBondContact NH2-OD1 3.08Å; R137-D202 IonicContact NH2-OD2 2.99Å; R137-D202 PolarHBondContact NH2-OD2 3.27Å
203E94.8Very high93.9Very high102 Ų10250.2 Ų50.248%0.47726%0.262SS..EExtended strand (participates in β ladder)trans-131.8145.3177.8-65.7-170.1123.700111.2H134 L135 T136H134-E203 IonicContact CE1-OE1 2.72Å; H134-E203 PolarHBondContact CE1-OE1 3.32Å; H134-E203 VanDerWaalsContact CE1-OE1 3.32Å; H134-E203 IonicContact NE2-OE1 3.76Å; L135-E203 WeakPolarHBondContact O-CA 3.4Å; T136-E203 HydrophobicContact CG2-CG 4.08Å; T136-E203 PolarHBondContact OG1-OE1 2.79Å
204T95.7Very high93.7Very high0 Ų050.9 Ų50.90%027%0.265CS..EExtended strand (participates in β ladder)trans-148.5135.4175.2-169.70000111.8L135 Y142 N181 I197 L206L135-T204 HydrophobicContact CB-CG2 3.96Å; L135-T204 PolarHBondContact N-O 3.09Å; L135-T204 PolarHBondContact O-N 3.15Å; Y142-T204 HydrophobicContact CD1-CG2 4.33Å; Y142-T204 HydrophobicContact CE1-CG2 3.83Å; Y142-T204 HydrophobicContact CE2-CG2 4.17Å; N181-T204 WeakPolarHBondContact OD1-CA 3.39Å; I197-T204 HydrophobicContact CG2-CG2 4.25Å; T204-L206 HydrophobicContact CG2-CD1 4.34Å; T204-L206 HydrophobicContact CG2-CD2 4.26Å; T204-L206 HydrophobicContact CG2-CG 4.16Å
205W96.1Very high93.6Very high114 Ų11454.6 Ų54.643%0.43228%0.28SS..EExtended strand (participates in β ladder)trans-97.2128.7168.8-64.878.5000108.4L132 C133 H134 V180 N181L132-W205 HydrophobicContact CD1-CB 4.43Å; L132-W205 HydrophobicContact CD1-CE3 4.25Å; L132-W205 HydrophobicContact CD2-CE3 3.71Å; L132-W205 HydrophobicContact CD2-CZ3 3.89Å; L132-W205 HydrophobicContact CG-CE3 3.8Å; L132-W205 HydrophobicContact CG-CZ3 4.27Å; C133-W205 WeakPolarHBondContact O-CA 3.22Å; H134-W205 HydrophobicContact CB-CD2 4.07Å; H134-W205 HydrophobicContact CB-CE3 3.85Å; H134-W205 HydrophobicContact CB-CH2 3.84Å; H134-W205 HydrophobicContact CB-CZ2 4.03Å; H134-W205 HydrophobicContact CB-CZ3 3.75Å; H134-W205 AromaticContact CD2-CD1 3.63Å; H134-W205 AromaticContact CD2-CD2 3.57Å; H134-W205 AromaticContact CD2-CE2 3.17Å; H134-W205 AromaticContact CD2-CG 3.86Å; H134-W205 AromaticContact CD2-CZ2 3.56Å; H134-W205 AromaticContact CD2-NE1 3.18Å; H134-W205 PolarHBondContact CD2-NE1 3.06Å; H134-W205 AromaticContact CG-CE2 3.66Å; H134-W205 AromaticContact CG-CH2 3.92Å; H134-W205 AromaticContact CG-CZ2 3.6Å; H134-W205 AromaticContact NE2-CE2 3.73Å; H134-W205 AromaticContact NE2-CZ2 4Å; H134-W205 AromaticContact NE2-NE1 3.42Å; H134-W205 PolarHBondContact NE2-NE1 3.3Å; V180-W205 CarbonylContact C-O 3.55Å; V180-W205 WeakPolarHBondContact CA-O 3.48Å; N181-W205 PolarHBondContact N-O 2.89Å; N181-W205 PolarHBondContact OD1-N 3.44Å
206L96.9Very high93.4Very high0 Ų053.6 Ų53.60%027%0.265CS..EExtended strand (participates in β ladder)trans-123.9114.6-177.6-58.2177.7000108.7C133 L135 F144 L171 L177 V180 I197 T204 V208C133-L206 PolarHBondContact N-O 3.09Å; C133-L206 PolarHBondContact O-N 2.95Å; L135-L206 HydrophobicContact CD1-CB 4.5Å; L135-L206 HydrophobicContact CD1-CD1 3.79Å; L135-L206 HydrophobicContact CD1-CG 4.15Å; L135-L206 HydrophobicContact CD2-CD1 4.01Å; F144-L206 HydrophobicContact CE1-CD1 4.06Å; F144-L206 HydrophobicContact CZ-CD1 3.96Å; L171-L206 HydrophobicContact CD1-CD1 4.14Å; L177-L206 HydrophobicContact CD1-CB 3.82Å; L177-L206 HydrophobicContact CD1-CD2 3.89Å; L177-L206 HydrophobicContact CD1-CG 4.34Å; V180-L206 HydrophobicContact CB-CD2 4.35Å; V180-L206 HydrophobicContact CG1-CD2 4.06Å; V180-L206 HydrophobicContact CG2-CD2 3.82Å; I197-L206 HydrophobicContact CD1-CD2 4.44Å; I197-L206 HydrophobicContact CG1-CD2 4.35Å; T204-L206 HydrophobicContact CG2-CD1 4.34Å; T204-L206 HydrophobicContact CG2-CD2 4.26Å; T204-L206 HydrophobicContact CG2-CG 4.16Å; L206-V208 HydrophobicContact CB-CG1 4.5Å
207L96.8Very high93.3Very high1 Ų151.5 Ų51.51%0.00526%0.256CS..EExtended strand (participates in β ladder)trans-86.8119.3170.2-171.177.5000108.6P130 L132 V178 E179 T225 V229P130-L207 HydrophobicContact CB-CD1 4.01Å; P130-L207 HydrophobicContact CB-CG 4.33Å; L132-L207 HydrophobicContact CB-CD1 4.21Å; L132-L207 HydrophobicContact CD1-CB 4.31Å; L132-L207 HydrophobicContact CD1-CD1 4.18Å; V178-L207 HydrophobicContact CB-CD2 4.47Å; V178-L207 PolarHBondContact N-O 2.87Å; E179-L207 HydrophobicContact CB-CB 3.72Å; E179-L207 HydrophobicContact CB-CD2 4.35Å; E179-L207 HydrophobicContact CG-CB 4.15Å; E179-L207 HydrophobicContact CG-CD2 3.81Å; E179-L207 PolarHBondContact N-O 2.87Å; E179-L207 PolarHBondContact O-N 3.01Å; L207-T225 VanDerWaalsContact CD2-C 3.45Å; L207-T225 VanDerWaalsContact CD2-CA 3.47Å; L207-V229 HydrophobicContact CD1-CG2 3.45Å; L207-V229 VanDerWaalsContact CD1-CG2 3.45Å
208V96.4Very high93.1Very high0 Ų056.1 Ų56.10%028%0.276CS..EExtended strand (participates in β ladder)trans-125.5159.2-178.3-61.10000112.2P130 R131 L171 D175 R176 L177 L206P130-V208 WeakPolarHBondContact CA-O 3.38Å; R131-V208 HydrophobicContact CB-CG2 3.99Å; R131-V208 PolarHBondContact N-O 3.38Å; R131-V208 PolarHBondContact O-N 2.89Å; L171-V208 HydrophobicContact CD2-CB 4.37Å; L171-V208 HydrophobicContact CD2-CG1 3.61Å; L171-V208 HydrophobicContact CD2-CG2 3.9Å; D175-V208 HydrophobicContact CB-CB 4.08Å; D175-V208 HydrophobicContact CB-CG1 4.4Å; D175-V208 HydrophobicContact CB-CG2 4.42Å; D175-V208 WeakPolarHBondContact OD2-CG2 3.48Å; R176-V208 CarbonylContact O-C 3.56Å; R176-V208 VanDerWaalsContact O-CA 3.25Å; R176-V208 WeakPolarHBondContact O-CA 3.45Å; L177-V208 HydrophobicContact CD1-CG1 3.96Å; L206-V208 HydrophobicContact CB-CG1 4.5Å
209V95.4Very high93.1Very high0 Ų058.7 Ų58.70%028%0.282CS..EExtended strand (participates in β ladder)trans-129.2133.8170.6-71.80000110.9P130 D175 R176 V178 T213 D214 P224P130-V209 HydrophobicContact CB-CG1 3.75Å; P130-V209 HydrophobicContact CG-CG1 3.82Å; D175-V209 WeakPolarHBondContact CA-O 3.18Å; R176-V209 HydrophobicContact CB-CG2 3.91Å; R176-V209 PolarHBondContact N-O 2.94Å; R176-V209 PolarHBondContact O-N 2.92Å; V178-V209 HydrophobicContact CG2-CG1 4.5Å; V178-V209 HydrophobicContact CG2-CG2 3.92Å; V209-T213 HydrophobicContact CB-CG2 4.03Å; V209-T213 HydrophobicContact CG1-CG2 3.74Å; V209-D214 HydrophobicContact CB-CB 4.4Å; V209-D214 HydrophobicContact CG2-CB 3.7Å; V209-P224 HydrophobicContact CG1-CB 3.74Å; V209-P224 HydrophobicContact CG1-CG 3.79Å
210D94.5Very high93Very high26 Ų2658.2 Ų58.214%0.13928%0.275CS..  trans-58.7153.5163.9-57.8-101.1000110.1R131 R172 E212 T213 D214R131-D210 IonicContact CZ-OD1 3.8Å; R131-D210 IonicContact CZ-OD2 3.39Å; R131-D210 VanDerWaalsContact CZ-OD2 3.28Å; R131-D210 IonicContact NE-OD1 2.61Å; R131-D210 IonicContact NE-OD2 3.04Å; R131-D210 PolarHBondContact NE-OD2 2.92Å; R131-D210 IonicContact NH2-OD1 2.87Å; R131-D210 PolarHBondContact NH2-OD1 3.11Å; R131-D210 IonicContact NH2-OD2 3.31Å; R131-D210 PolarHBondContact NH2-OD2 2.86Å; R172-D210 IonicContact CZ-OD1 2.76Å; R172-D210 IonicContact NH1-OD1 3.75Å; R172-D210 PolarHBondContact NH1-OD1 2.91Å; R172-D210 IonicContact NH1-OD2 2.97Å; D210-E212 VanDerWaalsContact C-N 3.28Å; D210-E212 PolarHBondContact O-N 2.97Å; D210-T213 WeakPolarHBondContact O-CB 3.22Å; D210-T213 PolarHBondContact O-N 3.39Å; D210-T213 VanDerWaalsContact O-N 3.08Å; D210-D214 PolarHBondContact O-N 3.33Å
211P92.8Very high93.2Very high57 Ų5759.9 Ų59.937%0.3729%0.292SS..Hα-helixtrans-55.2-37.5-177.6-28.636.1000114.8Q174 D214 E215Q174-P211 HydrophobicContact CB-CG 3.94Å; P211-D214 PolarHBondContact O-N 3.4Å; P211-E215 PolarHBondContact O-N 3.4Å
212E92.5Very high93Very high111 Ų11161.6 Ų61.652%0.51930%0.297SS..Hα-helixtrans-67.5-39.5179.1-61172.9161.400111.6L128 D210 H216L128-E212 HydrophobicContact CD2-CB 3.85Å; D210-E212 VanDerWaalsContact C-N 3.28Å; D210-E212 PolarHBondContact O-N 2.97Å; E212-H216 WeakPolarHBondContact O-CB 3.5Å; E212-H216 PolarHBondContact O-N 3.1Å
213T91.8Very high92.8Very high3 Ų361.6 Ų61.62%0.01830%0.296CS..Hα-helixtrans-67.3-44.6173-57.60000110.9V209 D210 E215 H216 F217V209-T213 HydrophobicContact CB-CG2 4.03Å; V209-T213 HydrophobicContact CG1-CG2 3.74Å; D210-T213 WeakPolarHBondContact O-CB 3.22Å; D210-T213 PolarHBondContact O-N 3.39Å; D210-T213 VanDerWaalsContact O-N 3.08Å; T213-E215 VanDerWaalsContact C-N 3.31Å; T213-E215 PolarHBondContact O-N 2.87Å; T213-H216 PolarHBondContact O-N 3.04Å; T213-F217 HydrophobicContact CG2-CD2 3.69Å; T213-F217 HydrophobicContact CG2-CE2 3.73Å; T213-F217 WeakPolarHBondContact O-CD2 3.14Å; T213-F217 PolarHBondContact O-N 2.72Å
214D92.4Very high92.6Very high13 Ų1356.9 Ų56.97%0.0728%0.275CS..Hα-helixtrans-57.1-43.3176.4-169.543.6000111.3R176 V209 D210 P211 K218R176-D214 IonicContact CZ-OD1 3.23Å; R176-D214 IonicContact NE-OD1 3.64Å; R176-D214 PolarHBondContact NE-OD1 2.89Å; R176-D214 IonicContact NE-OD2 2.73Å; R176-D214 IonicContact NH2-OD1 2.77Å; V209-D214 HydrophobicContact CB-CB 4.4Å; V209-D214 HydrophobicContact CG2-CB 3.7Å; D210-D214 PolarHBondContact O-N 3.33Å; P211-D214 PolarHBondContact O-N 3.4Å; D214-K218 VanDerWaalsContact O-CB 3.29Å; D214-K218 WeakPolarHBondContact O-CB 3.5Å; D214-K218 WeakPolarHBondContact O-CD 3.42Å; D214-K218 WeakPolarHBondContact O-CG 3.12Å; D214-K218 PolarHBondContact O-N 2.9Å; D214-K218 WeakPolarHBondContact OD1-CE 3.34Å; D214-K218 IonicContact OD1-NZ 3.74Å; D214-K218 PolarHBondContact OD1-NZ 3.35Å; D214-K218 WeakPolarHBondContact OD2-CE 3.32Å; D214-K218 IonicContact OD2-NZ 3.8Å; D214-K218 PolarHBondContact OD2-NZ 2.68Å
215E92.5Very high92.4Very high120 Ų12058.9 Ų58.956%0.56129%0.287SS*.Hα-helixtrans-66.6-41.1174.2-77.7-163.3-163.400113.9P211 T213 R219P211-E215 PolarHBondContact O-N 3.4Å; T213-E215 VanDerWaalsContact C-N 3.31Å; T213-E215 PolarHBondContact O-N 2.87Å; E215-R219 VanDerWaalsContact O-CB 3.26Å; E215-R219 WeakPolarHBondContact O-CB 3.49Å; E215-R219 PolarHBondContact O-N 2.91Å; E215-R219 IonicContact OE2-NH2 3.78Å
216H91.1Very high92Very high36 Ų3655.3 Ų55.317%0.16728%0.276CS..Hα-helixtrans-64.4-45.2178.9176.1-84.7000111.9P125 L128 E212 T213 R219 R220P125-H216 PolarHBondContact O-NE2 3.18Å; L128-H216 HydrophobicContact CD1-CB 3.93Å; E212-H216 WeakPolarHBondContact O-CB 3.5Å; E212-H216 PolarHBondContact O-N 3.1Å; T213-H216 PolarHBondContact O-N 3.04Å; H216-R219 PolarHBondContact O-N 3.1Å; H216-R220 PolarHBondContact CE1-NE 3.36Å; H216-R220 PolarHBondContact CE1-NH2 3.47Å; H216-R220 PolarHBondContact ND1-NE 2.96Å; H216-R220 PolarHBondContact NE2-NH2 3.39Å; H216-R220 WeakPolarHBondContact O-CG 3.38Å; H216-R220 PolarHBondContact O-N 3.22Å; H216-R220 VanDerWaalsContact O-N 3.12Å
217F90.9Very high91.4Very high14 Ų1459.3 Ų59.36%0.06130%0.304CS..Hα-helixtrans-64.2-45.3176.1-87.9-102.7000111.7P130 T213 R219 R220 G221 V222 P224 H228P130-F217 HydrophobicContact CG-CE2 4.33Å; P130-F217 HydrophobicContact CG-CZ 4.05Å; T213-F217 HydrophobicContact CG2-CD2 3.69Å; T213-F217 HydrophobicContact CG2-CE2 3.73Å; T213-F217 WeakPolarHBondContact O-CD2 3.14Å; T213-F217 PolarHBondContact O-N 2.72Å; F217-R219 PolarHBondContact O-N 3.18Å; F217-R220 CarbonylContact O-C 3.55Å; F217-R220 PolarHBondContact O-N 3.2Å; F217-R220 VanDerWaalsContact O-N 3.13Å; F217-G221 PolarHBondContact O-N 3.2Å; F217-V222 CarbonylContact C-O 3.59Å; F217-V222 WeakPolarHBondContact CB-O 3.06Å; F217-V222 HydrophobicContact CD1-CB 4.12Å; F217-V222 HydrophobicContact CD1-CG1 3.95Å; F217-V222 HydrophobicContact CE1-CG1 4.07Å; F217-V222 PolarHBondContact O-N 2.76Å; F217-P224 HydrophobicContact CB-CG 3.96Å; F217-P224 HydrophobicContact CD1-CB 4.14Å; F217-P224 HydrophobicContact CD1-CG 3.77Å; F217-P224 HydrophobicContact CE1-CB 4.38Å; F217-P224 HydrophobicContact CE1-CG 4.47Å; F217-P224 HydrophobicContact CG-CG 3.87Å; F217-H228 HydrophobicContact CE1-CB 4.09Å; F217-H228 AromaticContact CE1-CD2 3.63Å; F217-H228 AromaticContact CE1-CG 3.72Å; F217-H228 AromaticContact CE1-NE2 3.99Å; F217-H228 HydrophobicContact CZ-CB 3.83Å; F217-H228 AromaticContact CZ-CD2 3.86Å; F217-H228 AromaticContact CZ-CG 3.92Å
218K90.8Very high90.9Very high106 Ų10663 Ų6346%0.46132%0.321SS..Hα-helixtrans-59.3-42.3173.9-76.5168.3179.5171.30112.7D214 R220 G221D214-K218 VanDerWaalsContact O-CB 3.29Å; D214-K218 WeakPolarHBondContact O-CB 3.5Å; D214-K218 WeakPolarHBondContact O-CD 3.42Å; D214-K218 WeakPolarHBondContact O-CG 3.12Å; D214-K218 PolarHBondContact O-N 2.9Å; D214-K218 WeakPolarHBondContact OD1-CE 3.34Å; D214-K218 IonicContact OD1-NZ 3.74Å; D214-K218 PolarHBondContact OD1-NZ 3.35Å; D214-K218 WeakPolarHBondContact OD2-CE 3.32Å; D214-K218 IonicContact OD2-NZ 3.8Å; D214-K218 PolarHBondContact OD2-NZ 2.68Å; K218-R220 PolarHBondContact O-N 2.91Å; K218-G221 PolarHBondContact O-N 2.83Å; K218-G221 VanDerWaalsContact O-N 3.08Å
219R91.8Very high90.3Very high203 Ų20364.1 Ų64.177%0.76633%0.328SS*.Hα-helixtrans-65.2-27.6177.5-165.9-179.4-55.7-179.65.5112.8E215 H216 F217E215-R219 VanDerWaalsContact O-CB 3.26Å; E215-R219 WeakPolarHBondContact O-CB 3.49Å; E215-R219 PolarHBondContact O-N 2.91Å; E215-R219 IonicContact OE2-NH2 3.78Å; H216-R219 PolarHBondContact O-N 3.1Å; F217-R219 PolarHBondContact O-N 3.18Å
220R88.7Confident89.1Confident170 Ų17068.5 Ų68.564%0.64235%0.347SS*.Hα-helixtrans-86.7-10.5173.3-67.7176.6-175.9-111.34.3113.8H216 F217 K218 V222H216-R220 PolarHBondContact CE1-NE 3.36Å; H216-R220 PolarHBondContact CE1-NH2 3.47Å; H216-R220 PolarHBondContact ND1-NE 2.96Å; H216-R220 PolarHBondContact NE2-NH2 3.39Å; H216-R220 WeakPolarHBondContact O-CG 3.38Å; H216-R220 PolarHBondContact O-N 3.22Å; H216-R220 VanDerWaalsContact O-N 3.12Å; F217-R220 CarbonylContact O-C 3.55Å; F217-R220 PolarHBondContact O-N 3.2Å; F217-R220 VanDerWaalsContact O-N 3.13Å; K218-R220 PolarHBondContact O-N 2.91Å; R220-V222 VanDerWaalsContact C-N 3.26Å; R220-V222 HydrophobicContact CB-CB 4.48Å; R220-V222 HydrophobicContact CB-CG2 4.01Å; R220-V222 PolarHBondContact O-N 2.84Å
221G88.4Confident87.7Confident70 Ų7074.7 Ų74.772%0.72238%0.38SS*.THydrogen-bonded Turntrans68.921.2-17300000114F217 K218F217-G221 PolarHBondContact O-N 3.2Å; K218-G221 PolarHBondContact O-N 2.83Å; K218-G221 VanDerWaalsContact O-N 3.08Å
222V88.9Confident85.8Confident61 Ų6177.5 Ų77.537%0.3738%0.384SS..PPolyproline II helixtrans-103.7133-178.1179.70000109.2F217 R220F217-V222 CarbonylContact C-O 3.59Å; F217-V222 WeakPolarHBondContact CB-O 3.06Å; F217-V222 HydrophobicContact CD1-CB 4.12Å; F217-V222 HydrophobicContact CD1-CG1 3.95Å; F217-V222 HydrophobicContact CE1-CG1 4.07Å; F217-V222 PolarHBondContact O-N 2.76Å; R220-V222 VanDerWaalsContact C-N 3.26Å; R220-V222 HydrophobicContact CB-CB 4.48Å; R220-V222 HydrophobicContact CB-CG2 4.01Å; R220-V222 PolarHBondContact O-N 2.84Å
223I88.9Confident83.8Confident86 Ų8680.4 Ų80.444%0.44140%0.403SS..PPolyproline II helixtrans-80.1129172-58.8178000108.2V178 T225V178-I223 HydrophobicContact CG1-CG2 4.43Å; I223-T225 PolarHBondContact O-N 2.85Å
224P91.3Very high82.1Confident4 Ų481.4 Ų81.43%0.02641%0.414CS..PPolyproline II helixtrans-58.5134172-22.232.3000111.6P130 V178 V209 F217P130-P224 HydrophobicContact CB-CB 4.45Å; P130-P224 HydrophobicContact CG-CB 3.81Å; V178-P224 HydrophobicContact CG1-CB 4.29Å; V178-P224 WeakPolarHBondContact CG1-O 3.39Å; V178-P224 HydrophobicContact CG2-CB 4.28Å; V178-P224 HydrophobicContact CG2-CG 4.34Å; V209-P224 HydrophobicContact CG1-CB 3.74Å; V209-P224 HydrophobicContact CG1-CG 3.79Å; F217-P224 HydrophobicContact CB-CG 3.96Å; F217-P224 HydrophobicContact CD1-CB 4.14Å; F217-P224 HydrophobicContact CD1-CG 3.77Å; F217-P224 HydrophobicContact CE1-CB 4.38Å; F217-P224 HydrophobicContact CE1-CG 4.47Å; F217-P224 HydrophobicContact CG-CG 3.87Å
225T91.1Very high79.9Confident42 Ų4286.4 Ų86.426%0.25845%0.447SS..  trans-142166.5175.764.90000110.4E179 L207 I223 S227 H228E179-T225 WeakPolarHBondContact OE1-CA 3.4Å; L207-T225 VanDerWaalsContact CD2-C 3.45Å; L207-T225 VanDerWaalsContact CD2-CA 3.47Å; I223-T225 PolarHBondContact O-N 2.85Å; T225-S227 PolarHBondContact O-N 3.14Å; T225-S227 VanDerWaalsContact O-N 3.09Å; T225-H228 PolarHBondContact N-ND1 3.19Å; T225-H228 WeakPolarHBondContact O-CB 3.28Å; T225-H228 PolarHBondContact O-N 2.61Å; T225-H228 PolarHBondContact O-ND1 3.25Å; T225-H228 PolarHBondContact OG1-CE1 3.29Å; T225-H228 PolarHBondContact OG1-ND1 3.36Å
226I87.6Confident77.6Confident39 Ų3985.9 Ų85.920%0.246%0.457CS..G310 helixtrans-50.8-33.5177.7-168.2167.8000113.9L132 H228 V229 Y232L132-I226 HydrophobicContact CD2-CD1 3.66Å; L132-I226 HydrophobicContact CD2-CG1 4.08Å; I226-H228 PolarHBondContact O-N 3.24Å; I226-H228 VanDerWaalsContact O-N 3.07Å; I226-V229 WeakPolarHBondContact O-CB 3.44Å; I226-V229 WeakPolarHBondContact O-CG2 3.38Å; I226-V229 PolarHBondContact O-N 3.04Å; I226-V229 VanDerWaalsContact O-N 3.11Å; I226-Y232 HydrophobicContact CD1-CE1 4.09Å; I226-Y232 HydrophobicContact CD1-CE2 4.03Å; I226-Y232 HydrophobicContact CG1-CD1 4.44Å; I226-Y232 HydrophobicContact CG1-CE1 4.26Å; I226-Y232 HydrophobicContact CG1-CE2 4.44Å
227S85.8Confident75.8Confident84 Ų8490.5 Ų90.559%0.58748%0.481SS*.G310 helixtrans-65.2-10178.2-47.20000114.9T225T225-S227 PolarHBondContact O-N 3.14Å; T225-S227 VanDerWaalsContact O-N 3.09Å
228H85.4Confident73.3Confident77 Ų7794.1 Ų94.136%0.35651%0.508SS..G310 helixtrans-102.1-4.9178.1-60.193.9000113.2P130 F217 T225 I226 K230P130-H228 WeakPolarHBondContact CD-O 3.33Å; P130-H228 HydrophobicContact CG-CB 3.99Å; F217-H228 HydrophobicContact CE1-CB 4.09Å; F217-H228 AromaticContact CE1-CD2 3.63Å; F217-H228 AromaticContact CE1-CG 3.72Å; F217-H228 AromaticContact CE1-NE2 3.99Å; F217-H228 HydrophobicContact CZ-CB 3.83Å; F217-H228 AromaticContact CZ-CD2 3.86Å; F217-H228 AromaticContact CZ-CG 3.92Å; T225-H228 PolarHBondContact N-ND1 3.19Å; T225-H228 WeakPolarHBondContact O-CB 3.28Å; T225-H228 PolarHBondContact O-N 2.61Å; T225-H228 PolarHBondContact O-ND1 3.25Å; T225-H228 PolarHBondContact OG1-CE1 3.29Å; T225-H228 PolarHBondContact OG1-ND1 3.36Å; I226-H228 PolarHBondContact O-N 3.24Å; I226-H228 VanDerWaalsContact O-N 3.07Å; H228-K230 PolarHBondContact O-N 3.32Å
229V84.6Confident71.4Confident24 Ų2497.1 Ų97.115%0.14553%0.529CS..  trans-68129.1-178.6176.60000109.4P130 L132 L207 I226P130-V229 HydrophobicContact CB-CG2 4.25Å; P130-V229 WeakPolarHBondContact O-CA 3.17Å; L132-V229 HydrophobicContact CB-CG1 4.27Å; L132-V229 HydrophobicContact CB-CG2 4.16Å; L207-V229 HydrophobicContact CD1-CG2 3.45Å; L207-V229 VanDerWaalsContact CD1-CG2 3.45Å; I226-V229 WeakPolarHBondContact O-CB 3.44Å; I226-V229 WeakPolarHBondContact O-CG2 3.38Å; I226-V229 PolarHBondContact O-N 3.04Å; I226-V229 VanDerWaalsContact O-N 3.11Å
230K70.5Confident68.9Low93 Ų9390.7 Ų90.740%0.40453%0.526SS..THydrogen-bonded Turntrans-59140.3172.3-107.8-169.9175.9-161.90109.9E127 A129 H228 Y232E127-K230 IonicContact OE1-NZ 3.7Å; E127-K230 PolarHBondContact OE1-NZ 3.49Å; A129-K230 HydrophobicContact CB-CB 3.96Å; A129-K230 HydrophobicContact CB-CD 4.48Å; A129-K230 HydrophobicContact CB-CG 3.91Å; H228-K230 PolarHBondContact O-N 3.32Å; K230-Y232 PolarHBondContact O-N 2.85Å; K230-Y232 VanDerWaalsContact O-N 3.15Å
231D64.7Low66.3Low156 Ų15687.2 Ų87.283%0.83453%0.528SS*.THydrogen-bonded Turntrans62.918.8169.1-44-50.5000116.1D233D231-D233 PolarHBondContact O-N 3.37Å; D231-D233 VanDerWaalsContact O-N 3.09Å
232Y52.3Low64.4Low116 Ų11689.7 Ų89.746%0.45553%0.531SS..  trans-79.186.6174.8-171.1-100.3000112.3L132 I226 K230 G234L132-Y232 HydrophobicContact CD2-CD2 4.19Å; L132-Y232 HydrophobicContact CD2-CE2 3.84Å; I226-Y232 HydrophobicContact CD1-CE1 4.09Å; I226-Y232 HydrophobicContact CD1-CE2 4.03Å; I226-Y232 HydrophobicContact CG1-CD1 4.44Å; I226-Y232 HydrophobicContact CG1-CE1 4.26Å; I226-Y232 HydrophobicContact CG1-CE2 4.44Å; K230-Y232 PolarHBondContact O-N 2.85Å; K230-Y232 VanDerWaalsContact O-N 3.15Å; Y232-G234 PolarHBondContact O-N 2.66Å
233D50.1Low61.9Low172 Ų17291.8 Ų91.892%0.9255%0.549SS*.  trans-74.432175.6-161.836.9000113.7D231D231-D233 PolarHBondContact O-N 3.37Å; D231-D233 VanDerWaalsContact O-N 3.09Å
234G57.3Low59.6Low24 Ų2493.4 Ų93.425%0.24757%0.565CS.*SBendtrans-83.9164.3175.900000112.7Y232 S236Y232-G234 PolarHBondContact O-N 2.66Å; G234-S236 PolarHBondContact O-N 3.47Å
235P44.4Very low57.3Low118 Ų118102 Ų10277%0.76660%0.604SS**  trans-61.2109.318025.5-34000110.8I237P235-I237 PolarHBondContact O-N 3Å
236S44.5Very low54.8Low109 Ų109106.7 Ų106.776%0.76263%0.633SS**  trans-60.5111.4-175.5-175.80000111.5G234 S238G234-S236 PolarHBondContact O-N 3.47Å; S236-S238 PolarHBondContact O-N 3.1Å
237I53.4Low52.5Low132 Ų132112.4 Ų112.468%0.67766%0.664SS**  trans-73.166.8165.849.1167.1000110P235 N239P235-I237 PolarHBondContact O-N 3Å; I237-N239 PolarHBondContact O-N 2.76Å; I237-N239 VanDerWaalsContact O-N 3.08Å
238S39.7Very low50.4Low91 Ų91111.9 Ų111.964%0.63667%0.672SS**  trans-59.1108.9176179.10000110.4S236S236-S238 PolarHBondContact O-N 3.1Å
239N50.2Low47.9Very low169 Ų169114.3 Ų114.390%0.90470%0.698SS**  trans-113.961.6172.4-163.133.7000110.6I237I237-N239 PolarHBondContact O-N 2.76Å; I237-N239 VanDerWaalsContact O-N 3.08Å
240G39.5Very low45.8Very low68 Ų68118.2 Ų118.270%0.70173%0.726SS**  trans116.7103.9171.300000114.3
241S34.3Very low44.4Very low96 Ų96119.5 Ų119.567%0.67174%0.741SS**  trans-85.4135.8162.7176.80000110.2S243S241-S243 PolarHBondContact O-N 3.42Å
242P47.5Very low43.2Very low122 Ų122118.6 Ų118.679%0.79274%0.742SS**  trans-74.5100.5165.930.7-31.3000109.5P244P242-P244 WeakPolarHBondContact O-CD 3.38Å
243S37Very low42.5Very low106 Ų106121 Ų12174%0.74176%0.758SS**  trans-73.9126.9-174.9500000113.6S241 Q245S241-S243 PolarHBondContact O-N 3.42Å; S243-Q245 PolarHBondContact O-N 2.95Å
244P40.6Very low41.8Very low120 Ų120118.7 Ų118.778%0.77976%0.755SS**  trans-80.1106163.931-30.5000110.3P242P242-P244 WeakPolarHBondContact O-CD 3.38Å
245Q42.7Very low40.8Very low183 Ų183125.9 Ų125.986%0.85578%0.779SS**  trans36.9111.4157.1-57.2-172.3-78.600119.4S243S243-Q245 PolarHBondContact O-N 2.95Å
246V39.4Very low40.4Very low142 Ų142131.9 Ų131.986%0.86179%0.787SS**  trans-118.5143.6143.565.90000108.7
247N39.3Very low40.1Very low159 Ų159131.6 Ų131.685%0.8579%0.785SS**  trans-70.1141.1179-81.8-22.1000111.9
248G40.5Very low39.3Very low73 Ų73132.5 Ų132.575%0.75380%0.796SS**  trans121.7101.2146.400000117.9
249S33.1Very low39.6Very low128 Ų128139.5 Ų139.590%0.89581%0.809SS**  trans80148.3153-143.20000120.3
250S41.8Very low38.8Very low105 Ų105136.4 Ų136.473%0.73480%0.801SS**  trans-92.8179-174.9-530000110.5
251T41Very low38.5Very low120 Ų120140 Ų14074%0.73680%0.804SS**  cis-159.313726.3-66.30000110.8
252T39.6Very low38.5Very low138 Ų138143.1 Ų143.185%0.84781%0.812SS**  -176.7106.1122.733.60000109.4
253Q37Very low37.7Very low167 Ų167142.9 Ų142.978%0.7881%0.814SS**  trans-87.3149.3169-67.2-1730.400110.6
254S35.3Very low37.7Very low123 Ų123143.3 Ų143.386%0.8681%0.812SS**  trans-111.1143.4168.8-72.60000110.3
255F35.7Very low37.3Very low175 Ų175146.7 Ų146.777%0.76882%0.817SS**  trans-106129.6-160.2-48.3-93.8000113.5
256R36.9Very low37Very low244 Ų244145.7 Ų145.792%0.92182%0.817SS**  trans167.386.7143.9-93.9159.6-173.4-107.90.7109
257S38.3Very low36.9Very low103 Ų103143 Ų14372%0.7281%0.81SS**  75.29574.2-58.20000114.8
258T35.1Very low36.9Very low150 Ų150142.5 Ų142.592%0.9281%0.807SS**  trans-86.1145.313745.90000108.2
259R46.5Very low37Very low238 Ų238146.2 Ų146.290%0.89881%0.809SS**  trans-109127.8-175.2-64.8170.969.9-168.43.5110.1
260S34.3Very low37.3Very low105 Ų105146.4 Ų146.473%0.73480%0.8SS**  trans-155.6124.6153.9-113.60000111.2
261D32.1Very low37Very low143 Ų143144.2 Ų144.277%0.76580%0.795SS**  trans54.8105.2139.1-50-62.6000122.2
262L34.3Very low37Very low162 Ų162143.8 Ų143.885%0.84880%0.797SS**  48.6110.5121.2-172.868.9000120.2
263S31.9Very low37.2Very low117 Ų117145.3 Ų145.382%0.81879%0.794SS**  -165.2168.1114.6-157.60000112.9
264T37.2Very low37.5Very low114 Ų114145.3 Ų145.370%0.69980%0.799SS**  trans-102.4145.2-176.2-52.30000111.4
265Q32.1Very low37.8Very low192 Ų192146.2 Ų146.290%0.89779%0.791SS**  trans178179131.6-97.7171.7-0.800114.4
266L35.9Very low38.3Very low162 Ų162143.6 Ų143.685%0.84879%0.785SS**  trans-126.5150-154.6-63.9161.6000114.2
267A37.3Very low38.8Very low86 Ų86137.7 Ų137.771%0.71178%0.778SS**  trans-177.1135.1149.200000106.8
268D39.6Very low39.1Very low147 Ų147140.2 Ų140.279%0.78678%0.776SS**  cis71.813242.7-54.7-51.3000112.2
269D41.3Very low40Very low151 Ų151137.5 Ų137.581%0.80777%0.769SS**  cis-164.5160.9-1.8-170.1-147.4000107.2
270D40.7Very low40.3Very low132 Ų132135.2 Ų135.271%0.70677%0.769SS**  cis-139.4-175.61.8162.945.4000108S272D270-S272 PolarHBondContact OD1-N 3.09Å
271G35.3Very low41Very low60 Ų60135.7 Ų135.762%0.61976%0.762SS**  trans-150.3-10.8166.300000119.6
272S40.3Very low42Very low111 Ų111132.2 Ų132.278%0.77676%0.76SS**  trans57.7167.7178.679.50000119.1D270D270-S272 PolarHBondContact OD1-N 3.09Å
273Q44Very low42.2Very low169 Ų169131.7 Ų131.779%0.7976%0.757SS**  trans-144137.4-159.2-177.1179.13.400113
274L43Very low43.3Very low168 Ų168137.8 Ų137.888%0.8876%0.762SS**  trans-136.8133.1174.2-167.8146.6000110.9
275M42.3Very low43.8Very low142 Ų142139.4 Ų139.470%0.777%0.766SS**  trans-108.4148.2-170.3-65.5-99.65900112.6
276D44.9Very low44.5Very low120 Ų120134.3 Ų134.364%0.64276%0.756SS**  trans-78.6120.9175-179.3-12.8000110.7F278D276-F278 VanDerWaalsContact C-N 3.27Å; D276-F278 PolarHBondContact O-N 3.04Å; D276-F278 PolarHBondContact OD1-N 3.1Å
277P47.9Very low45Very low120 Ų120131.8 Ų131.878%0.77976%0.759SS**THydrogen-bonded Turntrans-76.85.5-170.532-37.5000115.9
278F45.4Very low45.4Very low155 Ų155132.8 Ų132.868%0.6876%0.756SS**THydrogen-bonded Turntrans-112.87.1-177.5-108.6-94.3000116.6D276 E280 I281D276-F278 VanDerWaalsContact C-N 3.27Å; D276-F278 PolarHBondContact O-N 3.04Å; D276-F278 PolarHBondContact OD1-N 3.1Å; F278-E280 VanDerWaalsContact C-N 3.25Å; F278-E280 PolarHBondContact O-N 3.48Å; F278-I281 HydrophobicContact CD1-CD1 4.06Å; F278-I281 HydrophobicContact CE1-CD1 3.67Å; F278-I281 HydrophobicContact CZ-CD1 4.36Å
279A53.4Low45.5Very low93 Ų93130.1 Ų130.177%0.76976%0.755SS**G310 helixtrans-66-17.1-175.900000115.7
280E53.1Low45.6Very low191 Ų191127.1 Ų127.189%0.89375%0.751SS**G310 helixtrans-90.1-14.2-163.5-158.4167.7-167.700115.2F278 G282F278-E280 VanDerWaalsContact C-N 3.25Å; F278-E280 PolarHBondContact O-N 3.48Å; E280-G282 PolarHBondContact O-N 3.09Å
281I49.2Very low46Very low114 Ų114130.2 Ų130.259%0.58576%0.761SS**G310 helixtrans-95.614.9-171.2-25.7-177.2000114.1F278 L283F278-I281 HydrophobicContact CD1-CD1 4.06Å; F278-I281 HydrophobicContact CE1-CD1 3.67Å; F278-I281 HydrophobicContact CZ-CD1 4.36Å; I281-L283 PolarHBondContact O-N 3.32Å
282G52.9Low46.6Very low71 Ų71134.1 Ų134.173%0.73276%0.763SS**  trans68.3-8.6165.300000118.6E280 R284E280-G282 PolarHBondContact O-N 3.09Å; G282-R284 PolarHBondContact O-N 3.1Å
283L38.3Very low47Very low150 Ų150136.4 Ų136.479%0.78576%0.759SS**  trans-75.183.7178-85.4117.9000112.4I281 L285I281-L283 PolarHBondContact O-N 3.32Å; L283-L285 PolarHBondContact O-N 3.17Å
284R55.7Low47.2Very low246 Ų246137.6 Ų137.693%0.92877%0.767SS**  trans-69.894.2162.5-79.1-177.2165179.4-5.3110.1G282 A286G282-R284 PolarHBondContact O-N 3.1Å; R284-A286 PolarHBondContact O-N 2.91Å
285L46.6Very low47.4Very low147 Ų147138.6 Ų138.677%0.7776%0.764SS**  trans-71113.8173.8-153.476000109.6L283L283-L285 PolarHBondContact O-N 3.17Å
286A46.9Very low47.6Very low85 Ų85138 Ų13870%0.70276%0.763SS**  trans-66.1156.617500000111.1R284 T288R284-A286 PolarHBondContact O-N 2.91Å; A286-T288 PolarHBondContact O-N 3.35Å
287A46.6Very low47.6Very low109 Ų109140.5 Ų140.590%0.90177%0.77SS**  trans-55.4106.5-17300000112.9
288T46.1Very low47.6Very low107 Ų107139.7 Ų139.766%0.65677%0.774SS**  trans-66.6135.7177.8-57.80000110.6A286 A290A286-T288 PolarHBondContact O-N 3.35Å; T288-A290 PolarHBondContact O-N 2.96Å
289A42.2Very low48Very low91 Ų91141.4 Ų141.475%0.75278%0.781SS**THydrogen-bonded Turntrans-71.645.2-169.100000116.1
290A43.8Very low47.7Very low88 Ų88144.2 Ų144.273%0.72778%0.778SS**THydrogen-bonded Turntrans-88.3-25.7-176.800000114.3T288T288-A290 PolarHBondContact O-N 2.96Å
291E47.6Very low47.6Very low198 Ų198144.6 Ų144.693%0.92578%0.777SS**SBendtrans-86-8.4-179.2-65.8-169111.700113.9K293E291-K293 PolarHBondContact O-N 3.45Å
292E47.8Very low48Very low141 Ų141147.3 Ų147.366%0.65979%0.785SS**  trans-82.979.9175.6-164.8-155.5-135.900111.6
293K50.3Low47.8Very low160 Ų160153.2 Ų153.270%0.69679%0.79SS**  trans169.899.9139.5-89.7148.7-148.990.40113.1E291E291-K293 PolarHBondContact O-N 3.45Å
294M47Very low48.6Very low194 Ų194149.7 Ų149.796%0.95678%0.783SS**  trans-163.767.3135.8-107.5173.2-146.700115
295K47.9Very low49Very low188 Ų188143.8 Ų143.882%0.81778%0.776SS**  48.589.9125.7-140.6170.4-170.8178.20120
296I45.8Very low49.3Very low131 Ų131144.9 Ų144.967%0.67278%0.778SS**  57.5104124.2-57.2166000118
297H45.9Very low49.4Very low171 Ų171147.6 Ų147.679%0.79278%0.777SS**  -177.549.3121-96.4139.6000114.9K299H297-K299 PolarHBondContact O-N 3.15Å
298A46.7Very low50.1Low104 Ų104147 Ų14786%0.8676%0.759SS**  trans-82.6107.1163.500000109.7E300A298-E300 PolarHBondContact O-N 3.15Å; A298-E300 VanDerWaalsContact O-N 3.14Å
299K55.2Low50.6Low191 Ų191150.8 Ų150.883%0.8376%0.761SS**  trans-72.5106.1174.5-78.8-176.2176.7177.20110H297 K301H297-K299 PolarHBondContact O-N 3.15Å; K299-K301 PolarHBondContact O-N 3.42Å
300E46.1Very low51.3Low151 Ų151153.9 Ų153.971%0.70676%0.762SS**  trans-57.590.7176.2-170.2-162.1157.900111.6A298 K302A298-E300 PolarHBondContact O-N 3.15Å; A298-E300 VanDerWaalsContact O-N 3.14Å; E300-K302 VanDerWaalsContact C-N 3.33Å; E300-K302 HydrophobicContact CG-CG 4.16Å; E300-K302 PolarHBondContact O-N 2.84Å; E300-K302 WeakPolarHBondContact OE1-CE 3.25Å; E300-K302 WeakPolarHBondContact OE1-CG 3.5Å; E300-K302 IonicContact OE1-NZ 3.96Å
301K52.2Low51.6Low199 Ų199157.1 Ų157.187%0.86576%0.76SS**  trans-75.290.1167-73.1-172.8179.2-179.60108.2K299 K303K299-K301 PolarHBondContact O-N 3.42Å; K301-K303 VanDerWaalsContact C-N 3.27Å; K301-K303 PolarHBondContact O-N 3.4Å
302K56.2Low51.8Low171 Ų171154.1 Ų154.174%0.74374%0.744SS**  trans-55.687170.9-73.6-176.7176.4179.30110.7E300 A304E300-K302 VanDerWaalsContact C-N 3.33Å; E300-K302 HydrophobicContact CG-CG 4.16Å; E300-K302 PolarHBondContact O-N 2.84Å; E300-K302 WeakPolarHBondContact OE1-CE 3.25Å; E300-K302 WeakPolarHBondContact OE1-CG 3.5Å; E300-K302 IonicContact OE1-NZ 3.96Å; K302-A304 PolarHBondContact O-N 2.92Å
303K49.1Very low51.9Low195 Ų195156.3 Ų156.385%0.84875%0.747SS**  trans-83.4103.2172.5-171.2159.3-177.7176.50107.2K301K301-K303 VanDerWaalsContact C-N 3.27Å; K301-K303 PolarHBondContact O-N 3.4Å
304A56.2Low52.1Low76 Ų76155.6 Ų155.663%0.62875%0.746SS**  trans-52.8149168.200000109.6K302 Q306K302-A304 PolarHBondContact O-N 2.92Å; A304-Q306 PolarHBondContact O-N 3.33Å
305P64.1Low52.5Low123 Ų123153.5 Ų153.580%0.79974%0.738SS**  trans-49141.2169-25.234.4000109.9M307P305-M307 PolarHBondContact O-N 3.5Å
306Q51.8Low52.5Low170 Ų170152.8 Ų152.879%0.79474%0.735SS**  trans-61104.6-179.4179.3176.3-42.200109.1A304 D308A304-Q306 PolarHBondContact O-N 3.33Å; Q306-D308 PolarHBondContact O-N 2.93Å
307M50.2Low52.7Low142 Ų142151 Ų15170%0.774%0.735SS**  trans-73.7109.3178.1-173.2171.174.800108P305 W309P305-M307 PolarHBondContact O-N 3.5Å; M307-W309 PolarHBondContact O-N 3.05Å; M307-W309 VanDerWaalsContact O-N 3.1Å
308D59.6Low52.7Low95 Ų95150 Ų15051%0.50874%0.735SS.*  trans-61.8112.5179.2-167.5-25.8000110Q306 M310 K311Q306-D308 PolarHBondContact O-N 2.93Å; D308-M310 PolarHBondContact O-N 3.2Å; D308-M310 VanDerWaalsContact O-N 3.17Å; D308-M310 WeakPolarHBondContact OD1-CB 3.45Å; D308-M310 WeakPolarHBondContact OD1-CG 3.39Å; D308-M310 PolarHBondContact OD1-N 2.84Å; D308-M310 VanDerWaalsContact OD1-N 3.07Å; D308-K311 WeakPolarHBondContact O-CB 3.43Å; D308-K311 PolarHBondContact O-N 2.97Å
309W56.9Low52.4Low187 Ų187158.2 Ų158.271%0.70875%0.752SS**G310 helixtrans-65.9-16.4-175.3-84.2-77.2000113.3M307 K311 K312M307-W309 PolarHBondContact O-N 3.05Å; M307-W309 VanDerWaalsContact O-N 3.1Å; W309-K311 PolarHBondContact O-N 3.18Å; W309-K312 PolarHBondContact O-N 3.24Å
310M58Low52.3Low156 Ų156156.6 Ų156.677%0.76875%0.748SS**G310 helixtrans-60.4-28.2170.8-61.8-168.4-179.800111.8D308 K312D308-M310 PolarHBondContact O-N 3.2Å; D308-M310 VanDerWaalsContact O-N 3.17Å; D308-M310 WeakPolarHBondContact OD1-CB 3.45Å; D308-M310 WeakPolarHBondContact OD1-CG 3.39Å; D308-M310 PolarHBondContact OD1-N 2.84Å; D308-M310 VanDerWaalsContact OD1-N 3.07Å; M310-K312 VanDerWaalsContact C-N 3.26Å; M310-K312 PolarHBondContact O-N 3.03Å
311K50.3Low52.6Low156 Ų156156.8 Ų156.868%0.67875%0.75SS**G310 helixtrans-76.1-2.7-179.5-124.7167.8-172.9168.80115.4D308 W309 Y313D308-K311 WeakPolarHBondContact O-CB 3.43Å; D308-K311 PolarHBondContact O-N 2.97Å; W309-K311 PolarHBondContact O-N 3.18Å; K311-Y313 VanDerWaalsContact C-N 3.31Å
312K50.2Low52.6Low136 Ų136154.5 Ų154.559%0.59174%0.744SS**G310 helixtrans-74.4-21.6174.3-166.7176177.6-1720112.7W309 M310W309-K312 PolarHBondContact O-N 3.24Å; M310-K312 VanDerWaalsContact C-N 3.26Å; M310-K312 PolarHBondContact O-N 3.03Å
313Y49.7Very low52.4Low187 Ų187153.5 Ų153.573%0.73374%0.744SS**G310 helixtrans-83.3-16.6-171.4-69.8-74.2000115.2K311 L315K311-Y313 VanDerWaalsContact C-N 3.31Å; Y313-L315 VanDerWaalsContact C-N 3.31Å; Y313-L315 PolarHBondContact O-N 2.78Å
314E54.3Low52.6Low144 Ų144150.9 Ų150.967%0.67374%0.737SS**G310 helixtrans-70.5-26.3174.4-66.4-175.1123.300112.8
315L56.8Low52.4Low151 Ų151155.9 Ų155.979%0.79175%0.745SS**G310 helixtrans-94.1-3.4-171.6-129.876.6000115.5Y313Y313-L315 VanDerWaalsContact C-N 3.31Å; Y313-L315 PolarHBondContact O-N 2.78Å
316F47.2Very low51.6Low172 Ų172158.3 Ų158.375%0.75474%0.741SS**G310 helixtrans-129.623.8178.6-76.1-80.5000112.8
317S50.6Low51.6Low95 Ų95157.4 Ų157.466%0.66474%0.737SS**SBendtrans-110.621.5175.8-171.90000112.7
318N44.7Very low51.7Low149 Ų149158.7 Ų158.780%0.79774%0.74SS**  trans-143.228.5-171.5-108.9-16.2000113.4
319F41.7Very low50.9Low276 Ų276164.5 Ų164.5100%1.21176%0.761SS**  trans-155.20165.2-115.5-74.6000109.9

Retrieved 319 of 319 residues in 660.9 ms (Link to these results)

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