A0A087XKQ1_POEFO Loading...

RNA binding motif single stranded interacting protein 3

AlphaFold DB , UniProt , Accession A0A087XKQ1, Species POEFO (Poecilia formosa, Amazon molly), Gene RBMS3, Length 384 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
1M32.9Very low46.5Very low245 Ų245128.8 Ų128.8100%1.20766%0.659SS**  0117.10-72.5166.316800107.7
2A34.1Very low48.8Very low99 Ų99119.2 Ų119.282%0.81861%0.609SS**  trans-71.8140.2164.800000108.2Q4A2-Q4 PolarHBondContact O-N 2.87Å
3K32.1Very low50.7Low199 Ų199115.7 Ų115.787%0.86559%0.585SS**  trans-64.2127160.5-80.4-174.3173.4-175.60106.6Q5K3-Q5 PolarHBondContact O-N 3.33Å
4Q36.3Very low52.6Low196 Ų196107.9 Ų107.992%0.91655%0.545SS*.  trans-63.4109.2154.2-76.8174.4-29.200105.7A2 E6A2-Q4 PolarHBondContact O-N 2.87Å; Q4-E6 PolarHBondContact O-N 3.02Å; Q4-E6 VanDerWaalsContact O-N 3.17Å
5Q36.9Very low54Low164 Ų164102.1 Ų102.177%0.76652%0.519SS*.  trans-70.7106.4169.7-169.6168.25.900105K3 Q7K3-Q5 PolarHBondContact O-N 3.33Å; Q5-Q7 VanDerWaalsContact C-N 3.34Å; Q5-Q7 WeakPolarHBondContact O-CG 3.44Å; Q5-Q7 PolarHBondContact O-N 2.96Å
6E42.9Very low55.1Low185 Ų185100.9 Ų100.986%0.86451%0.514SS*.  trans-64.797.3-179.4-167165-179.200107.1Q4 D8Q4-E6 PolarHBondContact O-N 3.02Å; Q4-E6 VanDerWaalsContact O-N 3.17Å; E6-D8 PolarHBondContact O-N 3.23Å
7Q45Very low56.3Low72 Ų7295.4 Ų95.434%0.33649%0.486SS..  trans-74.2117.3-174.7-66.4-171.1-16.100108.4Q5Q5-Q7 VanDerWaalsContact C-N 3.34Å; Q5-Q7 WeakPolarHBondContact O-CG 3.44Å; Q5-Q7 PolarHBondContact O-N 2.96Å
8D52.9Low57.2Low134 Ų13493.8 Ų93.872%0.71748%0.484SS*.  trans-56.5131.4180-73.9-70.5000111.1E6 T10E6-D8 PolarHBondContact O-N 3.23Å; D8-T10 PolarHBondContact O-N 3.18Å
9P61Low58Low60 Ų6093.7 Ų93.739%0.3949%0.487SS..  trans-65.7108.6-173.326.2-34.4000109.6N11 I37 F57P9-N11 PolarHBondContact O-N 3.38Å; P9-N11 PolarHBondContact O-ND2 3.14Å; P9-I37 HydrophobicContact CB-CD1 3.6Å; P9-F57 WeakPolarHBondContact CA-O 3.42Å
10T64.3Low58.9Low35 Ų3594.3 Ų94.322%0.21550%0.499CS..EExtended strand (participates in β ladder)trans-70.1120.2-172.6-630000109.3D8 S56 F57 Q82D8-T10 PolarHBondContact O-N 3.18Å; T10-S56 WeakPolarHBondContact O-CA 3.48Å; T10-F57 PolarHBondContact N-O 3.23Å; T10-F57 PolarHBondContact O-N 2.98Å; T10-Q82 HydrophobicContact CG2-CG 4.34Å
11N72.8Confident59.8Low28 Ų2890.3 Ų90.315%0.1548%0.478CS..EExtended strand (participates in β ladder)trans-100.6111-178.3-56.6-73.8000109.1P9 S56 Q83 Q85P9-N11 PolarHBondContact O-N 3.38Å; P9-N11 PolarHBondContact O-ND2 3.14Å; N11-S56 WeakPolarHBondContact OD1-CB 3.29Å; N11-S56 PolarHBondContact OD1-OG 3.04Å; N11-Q83 WeakPolarHBondContact O-CB 3.37Å; N11-Q83 PolarHBondContact O-N 3.02Å; N11-Q85 PolarHBondContact ND2-NE2 2.65Å; N11-Q85 VanDerWaalsContact ND2-NE2 3.12Å
12L74Confident62.2Low13 Ų1382.6 Ų82.67%0.06844%0.442CS..EExtended strand (participates in β ladder)trans-93.3126.7175.1-74.7165.2000109.8F54 A55 F57L12-F54 WeakPolarHBondContact O-CA 3.49Å; L12-A55 PolarHBondContact N-O 3.37Å; L12-A55 PolarHBondContact O-N 2.78Å; L12-F57 HydrophobicContact CD1-CD2 4.03Å; L12-F57 HydrophobicContact CD1-CE2 3.8Å
13Y73.9Confident64.5Low74 Ų7480.4 Ų80.429%0.2942%0.415SS..EExtended strand (participates in β ladder)trans-80.9129.3163.1176.2-94.2000109V52 F54 L80 K81Y13-V52 HydrophobicContact CD2-CG1 4.26Å; Y13-V52 HydrophobicContact CE2-CG1 3.41Å; Y13-V52 VanDerWaalsContact CE2-CG1 3.41Å; Y13-V52 WeakPolarHBondContact OH-CG2 3.38Å; Y13-F54 HydrophobicContact CD2-CD1 4.35Å; Y13-F54 AromaticContact CD2-CE1 3.74Å; Y13-F54 HydrophobicContact CD2-CE1 3.74Å; Y13-F54 AromaticContact CD2-CZ 3.85Å; Y13-F54 HydrophobicContact CD2-CZ 3.85Å; Y13-F54 HydrophobicContact CE2-CZ 4.22Å; Y13-L80 WeakPolarHBondContact O-CA 3.5Å; Y13-K81 PolarHBondContact N-O 3.03Å; Y13-K81 PolarHBondContact O-N 2.91Å
14I77Confident66.9Low6 Ų677.9 Ų77.93%0.03141%0.406CS..EExtended strand (participates in β ladder)trans-121.2123.8-179.7-45.7-179.4000107.7L17 L26 L30 V52 G53 A55 L78 L80I14-L17 HydrophobicContact CG2-CD1 4.46Å; I14-L17 HydrophobicContact CG2-CD2 3.77Å; I14-L17 HydrophobicContact CG2-CG 4.08Å; I14-L26 HydrophobicContact CD1-CD1 4.08Å; I14-L30 HydrophobicContact CD1-CD1 3.91Å; I14-V52 CarbonylContact O-C 3.51Å; I14-V52 WeakPolarHBondContact O-CA 3.41Å; I14-G53 PolarHBondContact N-O 3.03Å; I14-G53 PolarHBondContact O-N 2.99Å; I14-G53 VanDerWaalsContact O-O 3.12Å; I14-A55 HydrophobicContact CD1-CB 3.82Å; I14-L78 HydrophobicContact CG2-CD2 4.14Å; I14-L80 HydrophobicContact CB-CD2 4.26Å; I14-L80 HydrophobicContact CG1-CD2 3.76Å; I14-L80 HydrophobicContact CG2-CD2 4.15Å
15S74.6Confident69.1Low22 Ų2273.7 Ų73.715%0.15439%0.387CS..EExtended strand (participates in β ladder)trans-120.5162.4175.845.40000110.9G51 L78 T79S15-G51 CarbonylContact C-O 3.57Å; S15-L78 WeakPolarHBondContact O-CD2 3.09Å; S15-T79 PolarHBondContact OG-O 3.33Å
16N70.2Confident71.1Confident82 Ų8265.9 Ų65.944%0.43935%0.35SS..SBendtrans6143.1-169.4-159.644.9000115.3G51 D77N16-G51 WeakPolarHBondContact CA-O 3.43Å; N16-G51 PolarHBondContact N-O 2.9Å; N16-D77 HydrophobicContact CB-CB 4.16Å
17L75.5Confident72.9Confident7 Ų760.1 Ų60.14%0.03732%0.323CS..  trans-76.9150164.4-64179.1000111.2I14 M21 L26 M29 I41 G51 L78I14-L17 HydrophobicContact CG2-CD1 4.46Å; I14-L17 HydrophobicContact CG2-CD2 3.77Å; I14-L17 HydrophobicContact CG2-CG 4.08Å; L17-M21 HydrophobicContact CD2-SD 3.96Å; L17-L26 HydrophobicContact CD1-CD1 4.21Å; L17-L26 HydrophobicContact CD1-CD2 3.83Å; L17-L26 HydrophobicContact CD2-CD1 3.98Å; L17-M29 HydrophobicContact CD2-CE 4.48Å; L17-I41 HydrophobicContact CD1-CD1 4.5Å; L17-I41 HydrophobicContact CD1-CG1 4.34Å; L17-G51 PolarHBondContact N-O 3.28Å; L17-G51 WeakPolarHBondContact O-CA 3.36Å; L17-L78 HydrophobicContact CD2-CD2 4.44Å
18P73.1Confident74.6Confident68 Ų6861 Ų6144%0.44233%0.33SS..  trans-60.1141.8171.9-19.930.7000112.1S20 M21P18-S20 PolarHBondContact O-N 3.45Å; P18-M21 HydrophobicContact CB-CB 4.12Å; P18-M21 HydrophobicContact CG-CB 4.28Å; P18-M21 WeakPolarHBondContact O-CB 3.42Å; P18-M21 PolarHBondContact O-N 3.41Å
19V72.9Confident75.7Confident92 Ų9257.8 Ų57.856%0.55831%0.311SS*.THydrogen-bonded Turntrans-63.7-24.7178.9179.90000112.2V48 S49V19-V48 HydrophobicContact CG1-CG1 3.6Å; V19-S49 WeakPolarHBondContact O-CB 3.37Å; V19-S49 PolarHBondContact O-OG 3.03Å
20S75.7Confident76.3Confident104 Ų10455 Ų5573%0.72729%0.294SS*.THydrogen-bonded Turntrans-86.7-5.9175.457.50000114.8P18P18-S20 PolarHBondContact O-N 3.45Å
21M78.1Confident76.8Confident12 Ų1258.3 Ų58.36%0.05931%0.305CS..  trans-76.8136.6-176.6-163178.1-146.500110.6L17 P18 E25 L26 M29 I41L17-M21 HydrophobicContact CD2-SD 3.96Å; P18-M21 HydrophobicContact CB-CB 4.12Å; P18-M21 HydrophobicContact CG-CB 4.28Å; P18-M21 WeakPolarHBondContact O-CB 3.42Å; P18-M21 PolarHBondContact O-N 3.41Å; M21-E25 HydrophobicContact CE-CB 4.28Å; M21-E25 HydrophobicContact CE-CG 3.82Å; M21-E25 HydrophobicContact CG-CB 4.1Å; M21-E25 HydrophobicContact CG-CG 4.25Å; M21-E25 WeakPolarHBondContact CG-OE2 3.3Å; M21-L26 HydrophobicContact SD-CB 4.3Å; M21-L26 HydrophobicContact SD-CD1 4.45Å; M21-M29 HydrophobicContact CE-CB 4.44Å; M21-M29 HydrophobicContact CE-CE 3.96Å; M21-M29 HydrophobicContact CE-SD 4.05Å; M21-I41 WeakPolarHBondContact O-CD1 3.22Å
22D83.4Confident76.8Confident82 Ų8262.4 Ų62.444%0.43933%0.333SS..  trans-105.9158.9175.8-80.9-33.7000112.1Q24 E25 L26 I41 R43D22-Q24 PolarHBondContact O-N 2.91Å; D22-E25 PolarHBondContact O-N 3.45Å; D22-L26 PolarHBondContact O-N 2.93Å; D22-I41 VanDerWaalsContact C-CD1 3.48Å; D22-R43 IonicContact OD1-CZ 3.72Å; D22-R43 IonicContact OD1-NH1 3.96Å; D22-R43 PolarHBondContact OD1-NH1 3.44Å; D22-R43 VanDerWaalsContact OD1-NH1 3.13Å; D22-R43 IonicContact OD1-NH2 2.69Å; D22-R43 PolarHBondContact OD1-NH2 3.11Å
23E82.4Confident76.4Confident53 Ų5364.2 Ų64.225%0.24834%0.343CS..Hα-helixtrans-50.7-33.1-179.2-81.282.517400114.2E27 T39 I41 R43E23-E27 WeakPolarHBondContact O-CB 3.42Å; E23-E27 PolarHBondContact O-N 2.98Å; E23-T39 PolarHBondContact O-OG1 2.89Å; E23-I41 HydrophobicContact CG-CB 4.47Å; E23-I41 HydrophobicContact CG-CG1 4.21Å; E23-I41 WeakPolarHBondContact OE1-CB 3.36Å; E23-I41 PolarHBondContact OE1-N 3.14Å; E23-R43 IonicContact OE2-CZ 2.69Å; E23-R43 IonicContact OE2-NE 3.92Å; E23-R43 IonicContact OE2-NH2 3.71Å; E23-R43 PolarHBondContact OE2-NH2 3.4Å
24Q82.3Confident76.3Confident146 Ų14662 Ų6268%0.68234%0.342SS*.Hα-helixtrans-79.9-30.5-177.1-163.9172.269.400112.5D22 N28D22-Q24 PolarHBondContact O-N 2.91Å; Q24-N28 WeakPolarHBondContact O-CB 3.14Å; Q24-N28 PolarHBondContact O-N 2.88Å; Q24-N28 PolarHBondContact O-ND2 3.11Å
25E81.6Confident76.3Confident109 Ų10968.2 Ų68.251%0.50937%0.371SS..Hα-helixtrans-73.1-42.5171.5-168.9179.6-162.900110.2M21 D22 E27 N28 M29M21-E25 HydrophobicContact CE-CB 4.28Å; M21-E25 HydrophobicContact CE-CG 3.82Å; M21-E25 HydrophobicContact CG-CB 4.1Å; M21-E25 HydrophobicContact CG-CG 4.25Å; M21-E25 WeakPolarHBondContact CG-OE2 3.3Å; D22-E25 PolarHBondContact O-N 3.45Å; E25-E27 VanDerWaalsContact C-N 3.32Å; E25-E27 PolarHBondContact O-N 3.17Å; E25-N28 PolarHBondContact O-N 3.2Å; E25-M29 PolarHBondContact O-N 2.87Å
26L79.1Confident76.5Confident0 Ų068.2 Ų68.20%037%0.37CS..Hα-helixtrans-59-42.2171.1-179.760000111.6I14 L17 M21 D22 M29 L30 T39 I41I14-L26 HydrophobicContact CD1-CD1 4.08Å; L17-L26 HydrophobicContact CD1-CD1 4.21Å; L17-L26 HydrophobicContact CD1-CD2 3.83Å; L17-L26 HydrophobicContact CD2-CD1 3.98Å; M21-L26 HydrophobicContact SD-CB 4.3Å; M21-L26 HydrophobicContact SD-CD1 4.45Å; D22-L26 PolarHBondContact O-N 2.93Å; L26-M29 HydrophobicContact CD1-CE 3.72Å; L26-M29 PolarHBondContact O-N 2.78Å; L26-L30 HydrophobicContact CD1-CD1 3.88Å; L26-L30 HydrophobicContact CD1-CG 4.32Å; L26-L30 HydrophobicContact CG-CD1 4.08Å; L26-L30 WeakPolarHBondContact O-CB 3.45Å; L26-L30 WeakPolarHBondContact O-CG 3.19Å; L26-L30 PolarHBondContact O-N 3.11Å; L26-L30 VanDerWaalsContact O-N 3.11Å; L26-T39 HydrophobicContact CB-CG2 4.39Å; L26-T39 HydrophobicContact CD2-CG2 4.16Å; L26-T39 HydrophobicContact CG-CG2 3.93Å; L26-I41 HydrophobicContact CD2-CD1 4.38Å; L26-I41 HydrophobicContact CD2-CG1 4.01Å
27E80.5Confident76.9Confident64 Ų6468.6 Ų68.630%0.29937%0.371SS..Hα-helixtrans-62.8-43.2174.4-168-163.5113.500111.3E23 E25 L30 K31 V36 T39E23-E27 WeakPolarHBondContact O-CB 3.42Å; E23-E27 PolarHBondContact O-N 2.98Å; E25-E27 VanDerWaalsContact C-N 3.32Å; E25-E27 PolarHBondContact O-N 3.17Å; E27-L30 CarbonylContact O-C 3.5Å; E27-L30 PolarHBondContact O-N 3.18Å; E27-L30 VanDerWaalsContact O-N 3.16Å; E27-K31 WeakPolarHBondContact O-CG 3.09Å; E27-K31 PolarHBondContact O-N 3.24Å; E27-K31 WeakPolarHBondContact OE1-CE 3.37Å; E27-K31 IonicContact OE1-NZ 2.65Å; E27-K31 PolarHBondContact OE1-NZ 2.85Å; E27-V36 HydrophobicContact CG-CB 4.47Å; E27-V36 HydrophobicContact CG-CG1 4.4Å; E27-T39 HydrophobicContact CB-CG2 3.98Å
28N81.1Confident76.8Confident89 Ų8971 Ų7148%0.47639%0.389SS..Hα-helixtrans-65.1-37.9177.6-72.8-21.9000113.1Q24 E25 L30 K31 P32Q24-N28 WeakPolarHBondContact O-CB 3.14Å; Q24-N28 PolarHBondContact O-N 2.88Å; Q24-N28 PolarHBondContact O-ND2 3.11Å; E25-N28 PolarHBondContact O-N 3.2Å; N28-L30 VanDerWaalsContact C-N 3.27Å; N28-L30 PolarHBondContact O-N 2.9Å; N28-K31 PolarHBondContact OD1-NZ 3.05Å; N28-P32 WeakPolarHBondContact O-CD 3.24Å
29M76.2Confident77.2Confident67 Ų6768.6 Ų68.633%0.3337%0.372SS..Hα-helixtrans-63.9-32.8172.7-174.4173.168.900112.1L17 M21 E25 L26 P32L17-M29 HydrophobicContact CD2-CE 4.48Å; M21-M29 HydrophobicContact CE-CB 4.44Å; M21-M29 HydrophobicContact CE-CE 3.96Å; M21-M29 HydrophobicContact CE-SD 4.05Å; E25-M29 PolarHBondContact O-N 2.87Å; L26-M29 HydrophobicContact CD1-CE 3.72Å; L26-M29 PolarHBondContact O-N 2.78Å; M29-P32 WeakPolarHBondContact O-CD 3.38Å
30L74.5Confident77.7Confident3 Ų372.2 Ų72.22%0.01638%0.376CS..Hα-helixtrans-93.1-12.8-176.8-64.1176.3000114.6I14 L26 E27 N28 L33 G34 V36 T39 A55 F57 L70I14-L30 HydrophobicContact CD1-CD1 3.91Å; L26-L30 HydrophobicContact CD1-CD1 3.88Å; L26-L30 HydrophobicContact CD1-CG 4.32Å; L26-L30 HydrophobicContact CG-CD1 4.08Å; L26-L30 WeakPolarHBondContact O-CB 3.45Å; L26-L30 WeakPolarHBondContact O-CG 3.19Å; L26-L30 PolarHBondContact O-N 3.11Å; L26-L30 VanDerWaalsContact O-N 3.11Å; E27-L30 CarbonylContact O-C 3.5Å; E27-L30 PolarHBondContact O-N 3.18Å; E27-L30 VanDerWaalsContact O-N 3.16Å; N28-L30 VanDerWaalsContact C-N 3.27Å; N28-L30 PolarHBondContact O-N 2.9Å; L30-L33 HydrophobicContact CD2-CD1 3.96Å; L30-L33 WeakPolarHBondContact O-CB 3.43Å; L30-L33 PolarHBondContact O-N 2.95Å; L30-L33 VanDerWaalsContact O-N 3.14Å; L30-G34 PolarHBondContact O-N 2.83Å; L30-V36 HydrophobicContact CB-CG2 3.67Å; L30-T39 HydrophobicContact CD1-CG2 4.4Å; L30-A55 HydrophobicContact CD1-CB 3.54Å; L30-F57 HydrophobicContact CB-CE1 4.39Å; L30-F57 HydrophobicContact CB-CZ 3.95Å; L30-F57 HydrophobicContact CD1-CE2 4.42Å; L30-F57 HydrophobicContact CD1-CZ 4.05Å; L30-F57 HydrophobicContact CD2-CZ 4.18Å; L30-F57 HydrophobicContact CG-CZ 4.27Å; L30-L70 HydrophobicContact CD2-CD2 4.08Å
31K74.7Confident78.1Confident103 Ų10367.7 Ų67.745%0.44834%0.344SS..THydrogen-bonded Turntrans-57.2-46173.1-87.1170.2-170.6152.30116.2E27 N28 L33E27-K31 WeakPolarHBondContact O-CG 3.09Å; E27-K31 PolarHBondContact O-N 3.24Å; E27-K31 WeakPolarHBondContact OE1-CE 3.37Å; E27-K31 IonicContact OE1-NZ 2.65Å; E27-K31 PolarHBondContact OE1-NZ 2.85Å; N28-K31 PolarHBondContact OD1-NZ 3.05Å; K31-L33 PolarHBondContact O-N 2.97Å
32P72.7Confident78.3Confident115 Ų11570.7 Ų70.775%0.74736%0.36SS*.THydrogen-bonded Turntrans-69.2-14.3176.328.7-35.9000112.6N28 M29N28-P32 WeakPolarHBondContact O-CD 3.24Å; M29-P32 WeakPolarHBondContact O-CD 3.38Å
33L64.8Low78.3Confident51 Ų5171.4 Ų71.427%0.26736%0.356SS..THydrogen-bonded Turntrans-93.6-30.9-178-71163.7000111.6L30 K31 F66 L70L30-L33 HydrophobicContact CD2-CD1 3.96Å; L30-L33 WeakPolarHBondContact O-CB 3.43Å; L30-L33 PolarHBondContact O-N 2.95Å; L30-L33 VanDerWaalsContact O-N 3.14Å; K31-L33 PolarHBondContact O-N 2.97Å; L33-F66 HydrophobicContact CB-CE2 3.64Å; L33-F66 HydrophobicContact CB-CZ 3.6Å; L33-F66 HydrophobicContact CD2-CD2 4.14Å; L33-F66 HydrophobicContact CD2-CE2 3.58Å; L33-F66 HydrophobicContact CD2-CZ 4.17Å; L33-F66 HydrophobicContact CG-CE2 4.23Å; L33-F66 HydrophobicContact CG-CZ 4.45Å; L33-F66 WeakPolarHBondContact O-CE2 3.46Å; L33-F66 VanDerWaalsContact O-CZ 3.3Å; L33-F66 WeakPolarHBondContact O-CZ 2.91Å; L33-L70 HydrophobicContact CD1-CD1 4.04Å; L33-L70 HydrophobicContact CD1-CD2 3.6Å; L33-L70 HydrophobicContact CD1-CG 3.71Å; L33-L70 HydrophobicContact CD2-CG 4.4Å
34G71.3Confident78.2Confident27 Ų2771.7 Ų71.728%0.27836%0.36SS..  trans177.3179.5169.800000114.7L30 V36L30-G34 PolarHBondContact O-N 2.83Å; G34-V36 PolarHBondContact O-N 2.81Å
35H78.2Confident77.8Confident137 Ų13769.6 Ų69.663%0.63437%0.367SS*.  trans-76.496.2173.7-175.6-87.1000110.5S58H35-S58 PolarHBondContact ND1-OG 2.64Å; H35-S58 PolarHBondContact O-N 3.06Å; H35-S58 VanDerWaalsContact O-N 3.1Å; H35-S58 PolarHBondContact O-OG 2.8Å
36V78.1Confident77.5Confident21 Ų2170.8 Ų70.813%0.12738%0.377CS..EExtended strand (participates in β ladder)trans-70.3125.7176.4-1730000110E27 L30 G34 T39 F57E27-V36 HydrophobicContact CG-CB 4.47Å; E27-V36 HydrophobicContact CG-CG1 4.4Å; L30-V36 HydrophobicContact CB-CG2 3.67Å; G34-V36 PolarHBondContact O-N 2.81Å; V36-T39 HydrophobicContact CG1-CG2 3.96Å; V36-F57 HydrophobicContact CG2-CD1 4.22Å; V36-F57 HydrophobicContact CG2-CE1 3.67Å; V36-F57 HydrophobicContact CG2-CZ 4.08Å
37I77.9Confident77.1Confident90 Ų9072.9 Ų72.946%0.46240%0.399SS..EExtended strand (participates in β ladder)trans-78.7-44.4171-63.9171.3000110.6P9 S56P9-I37 HydrophobicContact CB-CD1 3.6Å; I37-S56 WeakPolarHBondContact CB-O 3.46Å; I37-S56 PolarHBondContact N-O 3.21Å
38S75.1Confident76.8Confident59 Ų5973.7 Ų73.741%0.41341%0.408SS..EExtended strand (participates in β ladder)trans-163.8137.1-176-178.70000110.6A55 S56S38-A55 WeakPolarHBondContact O-CA 3.45Å; S38-S56 PolarHBondContact N-O 3.28Å; S38-S56 PolarHBondContact O-N 3.29Å
39T80.5Confident76.5Confident17 Ų1769.6 Ų69.610%0.10439%0.386CS..EExtended strand (participates in β ladder)trans-99.7160.915954.20000110.4E23 L26 E27 L30 V36 F54E23-T39 PolarHBondContact O-OG1 2.89Å; L26-T39 HydrophobicContact CB-CG2 4.39Å; L26-T39 HydrophobicContact CD2-CG2 4.16Å; L26-T39 HydrophobicContact CG-CG2 3.93Å; E27-T39 HydrophobicContact CB-CG2 3.98Å; L30-T39 HydrophobicContact CD1-CG2 4.4Å; V36-T39 HydrophobicContact CG1-CG2 3.96Å; T39-F54 CarbonylContact C-O 3.49Å; T39-F54 WeakPolarHBondContact CA-O 3.41Å
40R83.6Confident76.2Confident167 Ų16774.1 Ų74.163%0.6340%0.4SS*.EExtended strand (participates in β ladder)trans-156.6132.9164.9-178-178.3-60167.87.2109.6G53 F54R40-G53 CarbonylContact O-C 3.57Å; R40-G53 WeakPolarHBondContact O-CA 3.4Å; R40-F54 PolarHBondContact N-O 3.26Å; R40-F54 PolarHBondContact O-N 3.47Å
41I83.6Confident76.2Confident9 Ų974.5 Ų74.55%0.04640%0.404CS..EExtended strand (participates in β ladder)trans-97.2137.6172.7-65.1179.2000109.3L17 M21 D22 E23 L26 R43L17-I41 HydrophobicContact CD1-CD1 4.5Å; L17-I41 HydrophobicContact CD1-CG1 4.34Å; M21-I41 WeakPolarHBondContact O-CD1 3.22Å; D22-I41 VanDerWaalsContact C-CD1 3.48Å; E23-I41 HydrophobicContact CG-CB 4.47Å; E23-I41 HydrophobicContact CG-CG1 4.21Å; E23-I41 WeakPolarHBondContact OE1-CB 3.36Å; E23-I41 PolarHBondContact OE1-N 3.14Å; L26-I41 HydrophobicContact CD2-CD1 4.38Å; L26-I41 HydrophobicContact CD2-CG1 4.01Å; I41-R43 HydrophobicContact CG2-CG 4.24Å; I41-R43 PolarHBondContact O-N 3.16Å
42L82.2Confident76.4Confident76 Ų7670.3 Ų70.340%0.39839%0.387SS..EExtended strand (participates in β ladder)trans-85.793.8178.6-173.165.5000108.9R50 V52 F54L42-R50 WeakPolarHBondContact O-CB 3.11Å; L42-R50 PolarHBondContact O-N 3.21Å; L42-V52 HydrophobicContact CB-CB 4.19Å; L42-V52 HydrophobicContact CB-CG1 3.98Å; L42-V52 HydrophobicContact CD2-CB 4.48Å; L42-V52 HydrophobicContact CD2-CG1 3.99Å; L42-V52 PolarHBondContact N-O 2.94Å; L42-F54 HydrophobicContact CB-CE2 4.46Å
43R83.1Confident76.7Confident96 Ų9664.9 Ų64.936%0.36235%0.352SS..EExtended strand (participates in β ladder)trans-86145.1174.9-51.9-173.1-165.9-125.85.5110.3D22 E23 I41 G47 V48D22-R43 IonicContact OD1-CZ 3.72Å; D22-R43 IonicContact OD1-NH1 3.96Å; D22-R43 PolarHBondContact OD1-NH1 3.44Å; D22-R43 VanDerWaalsContact OD1-NH1 3.13Å; D22-R43 IonicContact OD1-NH2 2.69Å; D22-R43 PolarHBondContact OD1-NH2 3.11Å; E23-R43 IonicContact OE2-CZ 2.69Å; E23-R43 IonicContact OE2-NE 3.92Å; E23-R43 IonicContact OE2-NH2 3.71Å; E23-R43 PolarHBondContact OE2-NH2 3.4Å; I41-R43 HydrophobicContact CG2-CG 4.24Å; I41-R43 PolarHBondContact O-N 3.16Å; R43-G47 WeakPolarHBondContact CD-O 3.47Å; R43-V48 CarbonylContact C-O 3.53Å; R43-V48 WeakPolarHBondContact CA-O 3.43Å
44D80.6Confident77.5Confident60 Ų6065.7 Ų65.732%0.32135%0.353SS..  trans-73.1171.8176.7-172.448.2000111.8N46 G47 V48 R50D44-N46 PolarHBondContact O-N 2.91Å; D44-N46 VanDerWaalsContact O-N 3.09Å; D44-N46 PolarHBondContact OD2-ND2 2.89Å; D44-G47 PolarHBondContact O-N 3.43Å; D44-V48 PolarHBondContact N-O 3.26Å; D44-R50 HydrophobicContact CB-CG 3.82Å
45A74.6Confident77.9Confident102 Ų10264.5 Ų64.584%0.84334%0.341SS*.THydrogen-bonded Turntrans-54.5-27.7173.700000113.1G47A45-G47 VanDerWaalsContact C-N 3.27Å; A45-G47 PolarHBondContact O-N 3.18Å
46N75.7Confident77.8Confident133 Ų13358.6 Ų58.671%0.71132%0.315SS*.THydrogen-bonded Turntrans-82.15.6175.9-59.3-70.2000114.1D44 V48D44-N46 PolarHBondContact O-N 2.91Å; D44-N46 VanDerWaalsContact O-N 3.09Å; D44-N46 PolarHBondContact OD2-ND2 2.89Å; N46-V48 HydrophobicContact CB-CG2 4.32Å; N46-V48 PolarHBondContact O-N 3.45Å
47G69.3Low77.7Confident45 Ų4558.2 Ų58.246%0.46431%0.311SS..SBendtrans77.6-9.3-17700000115.4R43 D44 A45R43-G47 WeakPolarHBondContact CD-O 3.47Å; D44-G47 PolarHBondContact O-N 3.43Å; A45-G47 VanDerWaalsContact C-N 3.27Å; A45-G47 PolarHBondContact O-N 3.18Å
48V74.6Confident77.3Confident80 Ų8056.3 Ų56.349%0.48531%0.306SS..  trans-71.6127.6180-177.10000110.8V19 R43 D44 N46 R50V19-V48 HydrophobicContact CG1-CG1 3.6Å; R43-V48 CarbonylContact C-O 3.53Å; R43-V48 WeakPolarHBondContact CA-O 3.43Å; D44-V48 PolarHBondContact N-O 3.26Å; N46-V48 HydrophobicContact CB-CG2 4.32Å; N46-V48 PolarHBondContact O-N 3.45Å; V48-R50 PolarHBondContact O-N 3.16Å
49S74.7Confident76.5Confident4 Ų456.2 Ų56.23%0.02831%0.305CS..EExtended strand (participates in β ladder)trans-62.1122.5175.2-60.60000111.1V19 G51V19-S49 WeakPolarHBondContact O-CB 3.37Å; V19-S49 PolarHBondContact O-OG 3.03Å; S49-G51 PolarHBondContact O-N 3.06Å
50R70.9Confident75.3Confident162 Ų16261.4 Ų61.461%0.61132%0.323SS*.EExtended strand (participates in β ladder)trans-77.321.3-177.2-64.7-175.456.9157.8-3.7114.1L42 D44 V48 V52L42-R50 WeakPolarHBondContact O-CB 3.11Å; L42-R50 PolarHBondContact O-N 3.21Å; D44-R50 HydrophobicContact CB-CG 3.82Å; V48-R50 PolarHBondContact O-N 3.16Å; R50-V52 PolarHBondContact O-N 2.99Å
51G73.4Confident73.4Confident10 Ų1064.4 Ų64.410%0.10334%0.335CS..EExtended strand (participates in β ladder)trans57.227.1-170.400000114.2S15 N16 L17 S49S15-G51 CarbonylContact C-O 3.57Å; N16-G51 WeakPolarHBondContact CA-O 3.43Å; N16-G51 PolarHBondContact N-O 2.9Å; L17-G51 PolarHBondContact N-O 3.28Å; L17-G51 WeakPolarHBondContact O-CA 3.36Å; S49-G51 PolarHBondContact O-N 3.06Å
52V78.8Confident71.7Confident16 Ų1670.8 Ų70.810%0.09736%0.364CS..EExtended strand (participates in β ladder)trans-132.3138.6-175.9168.10000109.3Y13 I14 L42 R50 F54Y13-V52 HydrophobicContact CD2-CG1 4.26Å; Y13-V52 HydrophobicContact CE2-CG1 3.41Å; Y13-V52 VanDerWaalsContact CE2-CG1 3.41Å; Y13-V52 WeakPolarHBondContact OH-CG2 3.38Å; I14-V52 CarbonylContact O-C 3.51Å; I14-V52 WeakPolarHBondContact O-CA 3.41Å; L42-V52 HydrophobicContact CB-CB 4.19Å; L42-V52 HydrophobicContact CB-CG1 3.98Å; L42-V52 HydrophobicContact CD2-CB 4.48Å; L42-V52 HydrophobicContact CD2-CG1 3.99Å; L42-V52 PolarHBondContact N-O 2.94Å; R50-V52 PolarHBondContact O-N 2.99Å; V52-F54 HydrophobicContact CG1-CE2 4.47Å
53G80.1Confident70.1Confident0 Ų071.9 Ų71.90%037%0.371CS..EExtended strand (participates in β ladder)trans-144.7170.4175.200000112.6I14 R40I14-G53 PolarHBondContact N-O 3.03Å; I14-G53 PolarHBondContact O-N 2.99Å; I14-G53 VanDerWaalsContact O-O 3.12Å; R40-G53 CarbonylContact O-C 3.57Å; R40-G53 WeakPolarHBondContact O-CA 3.4Å
54F80.3Confident68.7Low69 Ų6976.5 Ų76.530%0.30339%0.389SS..EExtended strand (participates in β ladder)trans-127.5136.3175.6-63-97.1000108.3L12 Y13 T39 R40 L42 V52L12-F54 WeakPolarHBondContact O-CA 3.49Å; Y13-F54 HydrophobicContact CD2-CD1 4.35Å; Y13-F54 AromaticContact CD2-CE1 3.74Å; Y13-F54 HydrophobicContact CD2-CE1 3.74Å; Y13-F54 AromaticContact CD2-CZ 3.85Å; Y13-F54 HydrophobicContact CD2-CZ 3.85Å; Y13-F54 HydrophobicContact CE2-CZ 4.22Å; T39-F54 CarbonylContact C-O 3.49Å; T39-F54 WeakPolarHBondContact CA-O 3.41Å; R40-F54 PolarHBondContact N-O 3.26Å; R40-F54 PolarHBondContact O-N 3.47Å; L42-F54 HydrophobicContact CB-CE2 4.46Å; V52-F54 HydrophobicContact CG1-CE2 4.47Å
55A79.9Confident67.3Low1 Ų179.7 Ų79.71%0.00841%0.406CS..EExtended strand (participates in β ladder)trans-127.9133.4173.400000110.1L12 I14 L30 S38 F57L12-A55 PolarHBondContact N-O 3.37Å; L12-A55 PolarHBondContact O-N 2.78Å; I14-A55 HydrophobicContact CD1-CB 3.82Å; L30-A55 HydrophobicContact CD1-CB 3.54Å; S38-A55 WeakPolarHBondContact O-CA 3.45Å; A55-F57 HydrophobicContact CB-CD2 4.4Å; A55-F57 HydrophobicContact CB-CE2 3.7Å; A55-F57 HydrophobicContact CB-CZ 4.46Å
56S77.1Confident66.3Low14 Ų1478 Ų7810%0.09838%0.379CS..EExtended strand (participates in β ladder)trans-112.9131.7178.8-161.90000109.2T10 N11 I37 S38T10-S56 WeakPolarHBondContact O-CA 3.48Å; N11-S56 WeakPolarHBondContact OD1-CB 3.29Å; N11-S56 PolarHBondContact OD1-OG 3.04Å; I37-S56 WeakPolarHBondContact CB-O 3.46Å; I37-S56 PolarHBondContact N-O 3.21Å; S38-S56 PolarHBondContact N-O 3.28Å; S38-S56 PolarHBondContact O-N 3.29Å
57F76.1Confident65.4Low12 Ų1274 Ų745%0.05336%0.358CS..EExtended strand (participates in β ladder)trans-120.3145-175.2-71.5-99.4000111.7P9 T10 L12 L30 V36 A55P9-F57 WeakPolarHBondContact CA-O 3.42Å; T10-F57 PolarHBondContact N-O 3.23Å; T10-F57 PolarHBondContact O-N 2.98Å; L12-F57 HydrophobicContact CD1-CD2 4.03Å; L12-F57 HydrophobicContact CD1-CE2 3.8Å; L30-F57 HydrophobicContact CB-CE1 4.39Å; L30-F57 HydrophobicContact CB-CZ 3.95Å; L30-F57 HydrophobicContact CD1-CE2 4.42Å; L30-F57 HydrophobicContact CD1-CZ 4.05Å; L30-F57 HydrophobicContact CD2-CZ 4.18Å; L30-F57 HydrophobicContact CG-CZ 4.27Å; V36-F57 HydrophobicContact CG2-CD1 4.22Å; V36-F57 HydrophobicContact CG2-CE1 3.67Å; V36-F57 HydrophobicContact CG2-CZ 4.08Å; A55-F57 HydrophobicContact CB-CD2 4.4Å; A55-F57 HydrophobicContact CB-CE2 3.7Å; A55-F57 HydrophobicContact CB-CZ 4.46Å
58S68.6Low64.5Low51 Ų5177.8 Ų77.836%0.35736%0.363SS..SBendtrans-91.5-0.8-175.7670000115.6H35H35-S58 PolarHBondContact ND1-OG 2.64Å; H35-S58 PolarHBondContact O-N 3.06Å; H35-S58 VanDerWaalsContact O-N 3.1Å; H35-S58 PolarHBondContact O-OG 2.8Å
59S59.3Low63.3Low56 Ų5676.6 Ų76.639%0.39236%0.358SS..  trans-153.4129174.2172.70000107.1
60W54.6Low62.3Low126 Ų12676.9 Ų76.948%0.47736%0.36SS..PPolyproline II helixtrans-77.7132.5155.851-81.8000107.3Q62W60-Q62 HydrophobicContact CE3-CG 3.87Å; W60-Q62 HydrophobicContact CZ3-CG 3.56Å
61W43.8Very low61.5Low230 Ų23072 Ų7287%0.87135%0.348SS*.PPolyproline II helixtrans-92.2148.2143.2-92.671.7000108.1D63W61-D63 PolarHBondContact O-N 2.76Å; W61-D63 VanDerWaalsContact O-N 3.17Å
62Q48.3Very low60.1Low144 Ų14475.3 Ų75.367%0.67337%0.374SS*.PPolyproline II helixtrans-62.2117.4164.2-60.8178.2-48.500106.6W60W60-Q62 HydrophobicContact CE3-CG 3.87Å; W60-Q62 HydrophobicContact CZ3-CG 3.56Å
63D48.4Very low58.6Low98 Ų9879.3 Ų79.352%0.52440%0.398SS..  -179.3152.7108.8-86.9-28.6000112.4W61 L65 F66W61-D63 PolarHBondContact O-N 2.76Å; W61-D63 VanDerWaalsContact O-N 3.17Å; D63-L65 HydrophobicContact CB-CB 3.81Å; D63-L65 HydrophobicContact CB-CD1 4.13Å; D63-L65 HydrophobicContact CB-CG 4.29Å; D63-L65 PolarHBondContact O-N 3.19Å; D63-F66 VanDerWaalsContact O-CB 3.29Å; D63-F66 WeakPolarHBondContact O-CB 3.43Å; D63-F66 PolarHBondContact O-N 2.97Å
64Y53Low56.8Low194 Ų19488 Ų8876%0.76144%0.439SS*.Hα-helixtrans-53.4-31.5164.9-151.4-101.3000111.4F66 I67 H68Y64-F66 PolarHBondContact O-N 2.97Å; Y64-I67 PolarHBondContact O-N 3.05Å; Y64-H68 WeakPolarHBondContact O-CB 3.26Å; Y64-H68 PolarHBondContact O-N 2.89Å
65L51.1Low55.1Low127 Ų12787 Ų8767%0.66544%0.438SS*.Hα-helixtrans-54.8-30.1172.6-70.7158000113.7D63 S69D63-L65 HydrophobicContact CB-CB 3.81Å; D63-L65 HydrophobicContact CB-CD1 4.13Å; D63-L65 HydrophobicContact CB-CG 4.29Å; D63-L65 PolarHBondContact O-N 3.19Å; L65-S69 WeakPolarHBondContact O-CB 3.36Å; L65-S69 PolarHBondContact O-N 3.07Å
66F54.9Low53.3Low65 Ų6596.2 Ų96.229%0.28548%0.481SS..Hα-helixtrans-70.5-47.2-179.7-178.6-103.5000112L33 D63 Y64 H68 S69 L70L33-F66 HydrophobicContact CB-CE2 3.64Å; L33-F66 HydrophobicContact CB-CZ 3.6Å; L33-F66 HydrophobicContact CD2-CD2 4.14Å; L33-F66 HydrophobicContact CD2-CE2 3.58Å; L33-F66 HydrophobicContact CD2-CZ 4.17Å; L33-F66 HydrophobicContact CG-CE2 4.23Å; L33-F66 HydrophobicContact CG-CZ 4.45Å; L33-F66 WeakPolarHBondContact O-CE2 3.46Å; L33-F66 VanDerWaalsContact O-CZ 3.3Å; L33-F66 WeakPolarHBondContact O-CZ 2.91Å; D63-F66 VanDerWaalsContact O-CB 3.29Å; D63-F66 WeakPolarHBondContact O-CB 3.43Å; D63-F66 PolarHBondContact O-N 2.97Å; Y64-F66 PolarHBondContact O-N 2.97Å; F66-H68 VanDerWaalsContact C-N 3.34Å; F66-S69 PolarHBondContact O-N 3.31Å; F66-L70 HydrophobicContact CD1-CD1 4.25Å; F66-L70 HydrophobicContact CE1-CD1 3.93Å; F66-L70 HydrophobicContact CZ-CD1 4.38Å; F66-L70 PolarHBondContact O-N 3.1Å
67I56.2Low51.8Low51 Ų51100.3 Ų100.326%0.26250%0.502SS..Hα-helixtrans-61.9-45.9172.5-71.6173.3000109.5Y64 S69 L70 T71 L80Y64-I67 PolarHBondContact O-N 3.05Å; I67-S69 VanDerWaalsContact C-N 3.31Å; I67-S69 PolarHBondContact O-N 2.86Å; I67-L70 WeakPolarHBondContact O-CB 3.43Å; I67-L70 PolarHBondContact O-N 2.85Å; I67-T71 PolarHBondContact O-N 2.81Å; I67-T71 PolarHBondContact O-OG1 2.97Å; I67-T71 VanDerWaalsContact O-OG1 3.14Å; I67-L80 HydrophobicContact CB-CD1 4.4Å; I67-L80 HydrophobicContact CG1-CD1 4.33Å; I67-L80 HydrophobicContact CG2-CB 4.11Å; I67-L80 HydrophobicContact CG2-CD1 4.09Å
68H50.5Low50.5Low123 Ų123100.2 Ų100.257%0.56950%0.502SS*.Hα-helixtrans-64.2-34179.3-135.4-86.5000113.1Y64 F66 A72Y64-H68 WeakPolarHBondContact O-CB 3.26Å; Y64-H68 PolarHBondContact O-N 2.89Å; F66-H68 VanDerWaalsContact C-N 3.34Å; H68-A72 WeakPolarHBondContact O-CB 3.34Å; H68-A72 PolarHBondContact O-N 3.27Å
69S49.2Very low49.5Very low56 Ų56100.8 Ų100.839%0.39250%0.503SS..Hα-helixtrans-69-44.3173.9-177.80000111.1L65 F66 I67 T71 A72 V73L65-S69 WeakPolarHBondContact O-CB 3.36Å; L65-S69 PolarHBondContact O-N 3.07Å; F66-S69 PolarHBondContact O-N 3.31Å; I67-S69 VanDerWaalsContact C-N 3.31Å; I67-S69 PolarHBondContact O-N 2.86Å; S69-T71 VanDerWaalsContact C-N 3.33Å; S69-T71 PolarHBondContact O-N 3.37Å; S69-A72 CarbonylContact O-C 3.48Å; S69-A72 WeakPolarHBondContact O-CA 3.48Å; S69-A72 WeakPolarHBondContact O-CB 3.37Å; S69-A72 PolarHBondContact O-N 2.87Å; S69-V73 WeakPolarHBondContact O-CG2 3.5Å; S69-V73 PolarHBondContact O-N 2.79Å
70L54.6Low49Very low10 Ų1099.2 Ų99.25%0.05249%0.49CS..Hα-helixtrans-57.2-43.1172.6-101157000112.5L30 L33 F66 I67 A72 V73 L80L30-L70 HydrophobicContact CD2-CD2 4.08Å; L33-L70 HydrophobicContact CD1-CD1 4.04Å; L33-L70 HydrophobicContact CD1-CD2 3.6Å; L33-L70 HydrophobicContact CD1-CG 3.71Å; L33-L70 HydrophobicContact CD2-CG 4.4Å; F66-L70 HydrophobicContact CD1-CD1 4.25Å; F66-L70 HydrophobicContact CE1-CD1 3.93Å; F66-L70 HydrophobicContact CZ-CD1 4.38Å; F66-L70 PolarHBondContact O-N 3.1Å; I67-L70 WeakPolarHBondContact O-CB 3.43Å; I67-L70 PolarHBondContact O-N 2.85Å; L70-A72 VanDerWaalsContact C-N 3.28Å; L70-A72 PolarHBondContact O-N 3.44Å; L70-V73 PolarHBondContact O-N 2.79Å; L70-L80 HydrophobicContact CB-CD1 3.67Å; L70-L80 HydrophobicContact CD1-CD1 3.81Å; L70-L80 HydrophobicContact CG-CD1 4.26Å
71T53.2Low48.7Very low59 Ų5999.8 Ų99.836%0.36250%0.496SS..Hα-helixtrans-68.1-26.7173.7-48.80000112.6I67 S69I67-T71 PolarHBondContact O-N 2.81Å; I67-T71 PolarHBondContact O-OG1 2.97Å; I67-T71 VanDerWaalsContact O-OG1 3.14Å; S69-T71 VanDerWaalsContact C-N 3.33Å; S69-T71 PolarHBondContact O-N 3.37Å
72A43.8Very low48.7Very low79 Ų7994.6 Ų94.665%0.65348%0.481SS*.Hα-helixtrans-80.8-23.3176.100000114H68 S69 L70 H74H68-A72 WeakPolarHBondContact O-CB 3.34Å; H68-A72 PolarHBondContact O-N 3.27Å; S69-A72 CarbonylContact O-C 3.48Å; S69-A72 WeakPolarHBondContact O-CA 3.48Å; S69-A72 WeakPolarHBondContact O-CB 3.37Å; S69-A72 PolarHBondContact O-N 2.87Å; L70-A72 VanDerWaalsContact C-N 3.28Å; L70-A72 PolarHBondContact O-N 3.44Å; A72-H74 PolarHBondContact O-N 2.75Å
73V48.2Very low48.7Very low101 Ų10191.5 Ų91.561%0.61247%0.467SS*.SBendtrans-78.970.5175.5-178.70000110.6S69 L70 V75S69-V73 WeakPolarHBondContact O-CG2 3.5Å; S69-V73 PolarHBondContact O-N 2.79Å; L70-V73 PolarHBondContact O-N 2.79Å; V73-V75 PolarHBondContact O-N 2.89Å; V73-V75 VanDerWaalsContact O-N 3.11Å
74H42.3Very low48.8Very low183 Ų18393.4 Ų93.485%0.84747%0.473SS*.SBendtrans61.419156.3-140.683000119.3A72A72-H74 PolarHBondContact O-N 2.75Å
75V44.5Very low48.7Very low48 Ų4889.2 Ų89.229%0.29146%0.46SS..  trans-132.4101.2164.7-177.80000109.6V73 D77 L78V73-V75 PolarHBondContact O-N 2.89Å; V73-V75 VanDerWaalsContact O-N 3.11Å; V75-D77 PolarHBondContact O-N 2.97Å; V75-L78 HydrophobicContact CB-CD1 3.91Å; V75-L78 HydrophobicContact CB-CD2 4.19Å; V75-L78 HydrophobicContact CB-CG 3.72Å; V75-L78 HydrophobicContact CG1-CD1 4.41Å; V75-L78 HydrophobicContact CG1-CD2 3.77Å; V75-L78 HydrophobicContact CG1-CG 3.71Å; V75-L78 PolarHBondContact O-N 3.23Å
76Q42.4Very low49Very low194 Ų19486.2 Ų86.291%0.90745%0.445SS*.THydrogen-bonded Turntrans-68.69.4-167.8-67.2-176.3-2200116.2
77D44.9Very low49.6Very low100 Ų10086.3 Ų86.354%0.53545%0.452SS..THydrogen-bonded Turntrans-14421.9-174.6-152.54.5000113.2N16 V75 T79N16-D77 HydrophobicContact CB-CB 4.16Å; V75-D77 PolarHBondContact O-N 2.97Å; D77-T79 VanDerWaalsContact C-N 3.28Å; D77-T79 PolarHBondContact O-N 2.96Å
78L47.8Very low50.9Low9 Ų984.7 Ų84.75%0.04744%0.444CS..  trans-72.281.5173.5-65.7-179.5000110.8I14 S15 L17 V75 L80I14-L78 HydrophobicContact CG2-CD2 4.14Å; S15-L78 WeakPolarHBondContact O-CD2 3.09Å; L17-L78 HydrophobicContact CD2-CD2 4.44Å; V75-L78 HydrophobicContact CB-CD1 3.91Å; V75-L78 HydrophobicContact CB-CD2 4.19Å; V75-L78 HydrophobicContact CB-CG 3.72Å; V75-L78 HydrophobicContact CG1-CD1 4.41Å; V75-L78 HydrophobicContact CG1-CD2 3.77Å; V75-L78 HydrophobicContact CG1-CG 3.71Å; V75-L78 PolarHBondContact O-N 3.23Å; L78-L80 PolarHBondContact O-N 3.03Å
79T48.3Very low52.8Low64 Ų6480.9 Ų80.939%0.39343%0.428SS..  trans-70.693.7171.7-67.20000109.7S15 D77 K81S15-T79 PolarHBondContact OG-O 3.33Å; D77-T79 VanDerWaalsContact C-N 3.28Å; D77-T79 PolarHBondContact O-N 2.96Å; T79-K81 HydrophobicContact CG2-CD 4.48Å; T79-K81 HydrophobicContact CG2-CG 4.19Å
80L48.8Very low54.8Low23 Ų2378.2 Ų78.212%0.1241%0.41CS..  trans-81.7115.2173.8-69174.8000110.3Y13 I14 I67 L70 L78Y13-L80 WeakPolarHBondContact O-CA 3.5Å; I14-L80 HydrophobicContact CB-CD2 4.26Å; I14-L80 HydrophobicContact CG1-CD2 3.76Å; I14-L80 HydrophobicContact CG2-CD2 4.15Å; I67-L80 HydrophobicContact CB-CD1 4.4Å; I67-L80 HydrophobicContact CG1-CD1 4.33Å; I67-L80 HydrophobicContact CG2-CB 4.11Å; I67-L80 HydrophobicContact CG2-CD1 4.09Å; L70-L80 HydrophobicContact CB-CD1 3.67Å; L70-L80 HydrophobicContact CD1-CD1 3.81Å; L70-L80 HydrophobicContact CG-CD1 4.26Å; L78-L80 PolarHBondContact O-N 3.03Å
81K49.2Very low56.5Low138 Ų13880.5 Ų80.560%0.642%0.418SS*.EExtended strand (participates in β ladder)trans-112.4120.3170.6-69.8-175.5179-177.80109.6Y13 T79 Q83Y13-K81 PolarHBondContact N-O 3.03Å; Y13-K81 PolarHBondContact O-N 2.91Å; T79-K81 HydrophobicContact CG2-CD 4.48Å; T79-K81 HydrophobicContact CG2-CG 4.19Å; K81-Q83 PolarHBondContact O-N 3.27Å
82Q44.3Very low58.4Low120 Ų12077.7 Ų77.756%0.56140%0.401SS*.EExtended strand (participates in β ladder)trans-63.5111.9165.4177.5172.2-12.400107.6T10 E84T10-Q82 HydrophobicContact CG2-CG 4.34Å; Q82-E84 VanDerWaalsContact C-N 3.33Å; Q82-E84 PolarHBondContact O-N 3.02Å; Q82-E84 VanDerWaalsContact O-N 3.11Å
83Q47.3Very low60.6Low79 Ų7974.3 Ų74.337%0.36937%0.372SS..EExtended strand (participates in β ladder)trans-84.386.6174.3-172.2171.4-11.200108.3N11 K81 Q85N11-Q83 WeakPolarHBondContact O-CB 3.37Å; N11-Q83 PolarHBondContact O-N 3.02Å; K81-Q83 PolarHBondContact O-N 3.27Å; Q83-Q85 PolarHBondContact O-N 2.77Å
84E49.9Very low62.5Low139 Ų13971.8 Ų71.865%0.6536%0.355SS*.  trans-52.9118.1171.3-163.1148-145.700109Q82 D86Q82-E84 VanDerWaalsContact C-N 3.33Å; Q82-E84 PolarHBondContact O-N 3.02Å; Q82-E84 VanDerWaalsContact O-N 3.11Å; E84-D86 PolarHBondContact O-N 3.48Å
85Q52.6Low64.7Low106 Ų10663.4 Ų63.450%0.49532%0.317SS..  trans-8232-174.8-78.7-85.89.800111.6N11 Q83N11-Q85 PolarHBondContact ND2-NE2 2.65Å; N11-Q85 VanDerWaalsContact ND2-NE2 3.12Å; Q83-Q85 PolarHBondContact O-N 2.77Å
86D56.8Low66.6Low64 Ų6461.6 Ų61.634%0.34231%0.306SS..  trans-54.2137.7177.4-99.3-26.2000110.4E84 T88 T138E84-D86 PolarHBondContact O-N 3.48Å; D86-T88 HydrophobicContact CB-CG2 3.84Å; D86-T88 PolarHBondContact O-N 2.97Å; D86-T138 HydrophobicContact CB-CG2 3.82Å
87P66.2Low68.5Low66 Ų6656.7 Ų56.743%0.42929%0.289SS..  trans-7246.7173.430.1-35.3000112.4N89 T138 F170P87-N89 PolarHBondContact O-N 3.42Å; P87-T138 HydrophobicContact CG-CG2 3.83Å; P87-F170 HydrophobicContact CB-CD1 4.07Å; P87-F170 HydrophobicContact CB-CE1 4.38Å; P87-F170 WeakPolarHBondContact O-CD1 3.26Å; P87-F170 VanDerWaalsContact O-CE1 3.31Å; P87-F170 WeakPolarHBondContact O-CE1 3.28Å
88T83.7Confident70.3Confident17 Ų1754.5 Ų54.510%0.10428%0.282CS..  trans-65.40.7170.957.80000113.8D86 R134 M135 T138 C141D86-T88 HydrophobicContact CB-CG2 3.84Å; D86-T88 PolarHBondContact O-N 2.97Å; T88-R134 CarbonylContact O-C 3.55Å; T88-R134 VanDerWaalsContact O-CA 3.3Å; T88-R134 WeakPolarHBondContact O-CA 3.41Å; T88-M135 WeakPolarHBondContact CB-O 3.41Å; T88-M135 PolarHBondContact O-N 3.06Å; T88-T138 HydrophobicContact CG2-CG2 4.43Å; T88-C141 VanDerWaalsContact CA-SG 3.5Å; T88-C141 PolarHBondContact O-SG 2.73Å
89N90.1Very high72Confident44 Ų4454.4 Ų54.424%0.23528%0.281CS..EExtended strand (participates in β ladder)trans-94.1124.2-178.6-53-88.5000109.8P87 A133 R134 A171P87-N89 PolarHBondContact O-N 3.42Å; N89-A133 CarbonylContact C-O 3.55Å; N89-A133 WeakPolarHBondContact CA-O 3.46Å; N89-R134 VanDerWaalsContact OD1-CZ 3.28Å; N89-R134 PolarHBondContact OD1-NE 2.83Å; N89-R134 PolarHBondContact OD1-NH2 3.49Å; N89-A171 HydrophobicContact CB-CB 4.02Å; N89-A171 WeakPolarHBondContact O-CB 3.28Å; N89-A171 PolarHBondContact O-N 3.2Å
90L91.4Very high74Confident0 Ų055 Ų550%028%0.282CS..EExtended strand (participates in β ladder)trans-104.7145176.5-68173.2000111.1I92 F132 A133 M135 C141 V144 I145 K169L90-I92 HydrophobicContact CB-CG1 4.41Å; L90-F132 VanDerWaalsContact O-CA 3.29Å; L90-F132 WeakPolarHBondContact O-CA 3.45Å; L90-A133 HydrophobicContact CB-CB 4.48Å; L90-A133 PolarHBondContact N-O 2.93Å; L90-A133 PolarHBondContact O-N 2.72Å; L90-A133 VanDerWaalsContact O-N 3.13Å; L90-M135 HydrophobicContact CD1-CG 3.75Å; L90-M135 HydrophobicContact CD1-SD 4.13Å; L90-M135 HydrophobicContact CG-CG 4.43Å; L90-C141 HydrophobicContact CD2-CB 3.68Å; L90-C141 HydrophobicContact CG-CB 4.17Å; L90-V144 HydrophobicContact CD1-CB 3.83Å; L90-V144 HydrophobicContact CD1-CG1 3.43Å; L90-V144 VanDerWaalsContact CD1-CG1 3.43Å; L90-V144 HydrophobicContact CD1-CG2 4.31Å; L90-I145 HydrophobicContact CD2-CD1 3.71Å; L90-I145 HydrophobicContact CD2-CG1 3.74Å; L90-K169 WeakPolarHBondContact CA-O 3.43Å
91Y92.1Very high75.9Confident57 Ų5756.3 Ų56.322%0.22429%0.287CS..EExtended strand (participates in β ladder)trans-107.9127.5165.2172.6-83.2000107.9V130 F132 L167 K169Y91-V130 HydrophobicContact CD2-CG1 4.24Å; Y91-V130 HydrophobicContact CE2-CG1 3.46Å; Y91-V130 VanDerWaalsContact CE2-CG1 3.46Å; Y91-F132 HydrophobicContact CD2-CD1 4.48Å; Y91-F132 AromaticContact CD2-CE1 3.78Å; Y91-F132 HydrophobicContact CD2-CE1 3.78Å; Y91-F132 HydrophobicContact CD2-CE2 4.35Å; Y91-F132 AromaticContact CD2-CZ 3.71Å; Y91-F132 HydrophobicContact CD2-CZ 3.71Å; Y91-F132 HydrophobicContact CE2-CZ 4.23Å; Y91-L167 HydrophobicContact CE1-CD2 4.39Å; Y91-K169 HydrophobicContact CD1-CD 4.32Å; Y91-K169 HydrophobicContact CD1-CG 3.89Å; Y91-K169 HydrophobicContact CG-CG 4.4Å; Y91-K169 PolarHBondContact N-O 3.5Å; Y91-K169 PolarHBondContact O-N 3.43Å; Y91-K169 VanDerWaalsContact O-O 3.13Å
92I91.4Very high77.9Confident0 Ų056.7 Ų56.70%029%0.291CS..EExtended strand (participates in β ladder)trans-127.6119.2-177.4-57172.5000107.2L90 L95 L104 L108 V130 G131 A133 L167L90-I92 HydrophobicContact CB-CG1 4.41Å; I92-L95 HydrophobicContact CG2-CD1 4.12Å; I92-L95 HydrophobicContact CG2-CD2 3.82Å; I92-L95 HydrophobicContact CG2-CG 3.98Å; I92-L104 HydrophobicContact CD1-CD1 3.91Å; I92-L108 HydrophobicContact CD1-CD1 3.96Å; I92-L108 HydrophobicContact CD1-CD2 4.25Å; I92-V130 CarbonylContact O-C 3.45Å; I92-V130 WeakPolarHBondContact O-CA 3.47Å; I92-G131 PolarHBondContact N-O 3.22Å; I92-G131 PolarHBondContact O-N 2.79Å; I92-G131 VanDerWaalsContact O-O 3.11Å; I92-A133 HydrophobicContact CD1-CB 4.29Å; I92-L167 CarbonylContact C-O 3.53Å; I92-L167 VanDerWaalsContact CA-O 3.3Å; I92-L167 WeakPolarHBondContact CA-O 3.28Å
93S90.1Very high80Confident8 Ų855.4 Ų55.46%0.05629%0.285CS..EExtended strand (participates in β ladder)trans-122.8172172.875.30000112.6L95 G129 L167S93-L95 VanDerWaalsContact C-N 3.28Å; S93-G129 CarbonylContact C-O 3.51Å; S93-G129 WeakPolarHBondContact CA-O 3.48Å; S93-L167 PolarHBondContact N-O 3.24Å; S93-L167 PolarHBondContact O-N 3.02Å
94N89Confident82Confident48 Ų4851.7 Ų51.726%0.25727%0.268SS..SBendtrans68.629.4-173.6-52.8-1.1000112.2G129 E164 P165N94-G129 PolarHBondContact N-O 3.3Å; N94-E164 HydrophobicContact CB-CB 4.36Å; N94-E164 VanDerWaalsContact ND2-CB 3.28Å; N94-E164 WeakPolarHBondContact ND2-CB 3.34Å; N94-E164 PolarHBondContact ND2-OE2 3.05Å; N94-P165 VanDerWaalsContact CB-O 3.29Å; N94-P165 WeakPolarHBondContact CB-O 3.44Å; N94-P165 PolarHBondContact ND2-O 3.27Å
95L87.5Confident83.9Confident8 Ų848 Ų484%0.04225%0.251CS..  trans-70.3148.1167.6-63.4165.5000110I92 S93 M99 L104 M107 G129 L166I92-L95 HydrophobicContact CG2-CD1 4.12Å; I92-L95 HydrophobicContact CG2-CD2 3.82Å; I92-L95 HydrophobicContact CG2-CG 3.98Å; S93-L95 VanDerWaalsContact C-N 3.28Å; L95-M99 HydrophobicContact CB-SD 4.47Å; L95-M99 HydrophobicContact CD2-SD 3.62Å; L95-L104 HydrophobicContact CD1-CD1 4.3Å; L95-L104 HydrophobicContact CD1-CD2 4.23Å; L95-L104 HydrophobicContact CD2-CD1 4.06Å; L95-M107 HydrophobicContact CD2-CE 4.41Å; L95-G129 PolarHBondContact N-O 3.42Å; L95-G129 WeakPolarHBondContact O-CA 3.19Å; L95-L166 HydrophobicContact CD2-CD2 3.72Å; L95-L166 HydrophobicContact CG-CD2 4.33Å
96P84.4Confident85.6Confident10 Ų1047.4 Ų47.47%0.06525%0.251CS..  trans-59.1148.4171.6-17.427.1000112.2S98 M99 L153 T155 P162P96-S98 PolarHBondContact O-N 2.89Å; P96-M99 HydrophobicContact CB-CB 4.2Å; P96-M99 HydrophobicContact CG-CB 4.23Å; P96-M99 HydrophobicContact CG-SD 4.5Å; P96-M99 WeakPolarHBondContact O-CB 3.19Å; P96-M99 PolarHBondContact O-N 2.93Å; P96-L153 HydrophobicContact CG-CD2 3.61Å; P96-T155 HydrophobicContact CB-CG2 4.26Å; P96-T155 HydrophobicContact CG-CG2 3.9Å; P96-P162 HydrophobicContact CG-CG 4Å
97V83.6Confident87Confident91 Ų9145.4 Ų45.455%0.55224%0.24SC*.THydrogen-bonded Turntrans-64.6-23.7175.6179.80000112.1V126 S127V97-V126 HydrophobicContact CG1-CG1 3.54Å; V97-S127 VanDerWaalsContact O-CB 3.28Å; V97-S127 WeakPolarHBondContact O-CB 3.21Å
98S82.3Confident88.1Confident54 Ų5442.3 Ų42.338%0.37822%0.219SC..THydrogen-bonded Turntrans-81.6-9.3175.1620000114.7P96 I159P96-S98 PolarHBondContact O-N 2.89Å; S98-I159 WeakPolarHBondContact OG-CD1 3.06Å
99M83.9Confident88.3Confident7 Ų746.4 Ų46.43%0.03424%0.236CC..  trans-83128.9-170.8-164.8171.5-165.400110.7L95 P96 E103 M107 I119 L153L95-M99 HydrophobicContact CB-SD 4.47Å; L95-M99 HydrophobicContact CD2-SD 3.62Å; P96-M99 HydrophobicContact CB-CB 4.2Å; P96-M99 HydrophobicContact CG-CB 4.23Å; P96-M99 HydrophobicContact CG-SD 4.5Å; P96-M99 WeakPolarHBondContact O-CB 3.19Å; P96-M99 PolarHBondContact O-N 2.93Å; M99-E103 WeakPolarHBondContact CA-OE2 3.34Å; M99-E103 HydrophobicContact CE-CB 3.82Å; M99-E103 HydrophobicContact CG-CB 3.83Å; M99-E103 WeakPolarHBondContact CG-OE2 3.1Å; M99-M107 HydrophobicContact CE-CB 4.35Å; M99-M107 HydrophobicContact CE-SD 4.29Å; M99-I119 WeakPolarHBondContact O-CD1 3.36Å; M99-L153 HydrophobicContact CE-CD2 3.9Å; M99-L153 HydrophobicContact SD-CD2 3.56Å; M99-L153 VanDerWaalsContact SD-CD2 3.56Å
100D89.2Confident88.2Confident75 Ų7549 Ų4940%0.40126%0.255SS..  trans-103.2163.7-178.9-77.8-32.3000112.5Q102 E103 L104 I119 R121D100-Q102 PolarHBondContact O-N 3.44Å; D100-Q102 VanDerWaalsContact O-N 3.09Å; D100-E103 PolarHBondContact O-N 3.23Å; D100-L104 PolarHBondContact O-N 3.02Å; D100-I119 VanDerWaalsContact C-CD1 3.46Å; D100-R121 IonicContact OD1-CZ 3.4Å; D100-R121 IonicContact OD1-NH1 3.13Å; D100-R121 PolarHBondContact OD1-NH1 3.17Å; D100-R121 VanDerWaalsContact OD1-NH1 3.16Å; D100-R121 IonicContact OD1-NH2 2.68Å; D100-R121 PolarHBondContact OD1-NH2 2.88Å
101E90.2Very high87.9Confident51 Ų5150.5 Ų50.524%0.23826%0.263CS..Hα-helixtrans-51.5-34.1-179.3-80.681.217600114.1E105 T117 I119 R121E101-E105 WeakPolarHBondContact O-CB 3.49Å; E101-E105 PolarHBondContact O-N 2.87Å; E101-T117 PolarHBondContact O-OG1 3.01Å; E101-I119 HydrophobicContact CG-CB 4.48Å; E101-I119 HydrophobicContact CG-CG1 4.21Å; E101-I119 WeakPolarHBondContact OE1-CB 3.39Å; E101-I119 PolarHBondContact OE1-N 3.32Å; E101-R121 IonicContact OE1-NH2 3.16Å; E101-R121 IonicContact OE2-CZ 2.96Å; E101-R121 IonicContact OE2-NE 2.68Å; E101-R121 IonicContact OE2-NH2 4Å; E101-R121 PolarHBondContact OE2-NH2 3.46Å
102Q89.9Confident87.6Confident147 Ų14748.1 Ų48.169%0.68726%0.256SS*.Hα-helixtrans-73.4-36.9178-61.6-175.321.700112.7D100 L104 E105 N106D100-Q102 PolarHBondContact O-N 3.44Å; D100-Q102 VanDerWaalsContact O-N 3.09Å; Q102-L104 VanDerWaalsContact C-N 3.34Å; Q102-E105 PolarHBondContact O-N 2.84Å; Q102-N106 WeakPolarHBondContact O-CB 3.36Å; Q102-N106 PolarHBondContact O-N 2.9Å; Q102-N106 PolarHBondContact O-ND2 3.48Å
103E88.1Confident87.4Confident93 Ų9354 Ų5444%0.43528%0.283SS..Hα-helixtrans-68.6-39175.1-61.5-165.5136.800110.4M99 D100 N106 M107M99-E103 WeakPolarHBondContact CA-OE2 3.34Å; M99-E103 HydrophobicContact CE-CB 3.82Å; M99-E103 HydrophobicContact CG-CB 3.83Å; M99-E103 WeakPolarHBondContact CG-OE2 3.1Å; D100-E103 PolarHBondContact O-N 3.23Å; E103-N106 PolarHBondContact O-N 3.39Å; E103-M107 WeakPolarHBondContact O-CB 3.48Å; E103-M107 PolarHBondContact O-N 3.08Å
104L88.9Confident87.5Confident0 Ų054.2 Ų54.20%028%0.284CS..Hα-helixtrans-62.4-42.1174.1-178.157.2000111.5I92 L95 D100 Q102 M107 L108 T117 I119I92-L104 HydrophobicContact CD1-CD1 3.91Å; L95-L104 HydrophobicContact CD1-CD1 4.3Å; L95-L104 HydrophobicContact CD1-CD2 4.23Å; L95-L104 HydrophobicContact CD2-CD1 4.06Å; D100-L104 PolarHBondContact O-N 3.02Å; Q102-L104 VanDerWaalsContact C-N 3.34Å; L104-M107 HydrophobicContact CD1-CE 3.75Å; L104-M107 PolarHBondContact O-N 3.32Å; L104-L108 HydrophobicContact CD1-CD1 4.25Å; L104-L108 HydrophobicContact CG-CD1 4.39Å; L104-L108 VanDerWaalsContact O-CG 3.27Å; L104-L108 WeakPolarHBondContact O-CG 2.91Å; L104-L108 PolarHBondContact O-N 3.36Å; L104-T117 HydrophobicContact CD2-CG2 4.44Å; L104-T117 HydrophobicContact CG-CG2 4.15Å; L104-I119 HydrophobicContact CD2-CD1 4.34Å; L104-I119 HydrophobicContact CD2-CG1 3.98Å
105E90.7Very high87.4Confident63 Ų6356.5 Ų56.529%0.29430%0.295SS..Hα-helixtrans-63.5-46.4174.4-167.9-166.3120.100111.4E101 Q102 M107 L108 K109 V114 T117E101-E105 WeakPolarHBondContact O-CB 3.49Å; E101-E105 PolarHBondContact O-N 2.87Å; Q102-E105 PolarHBondContact O-N 2.84Å; E105-M107 VanDerWaalsContact C-N 3.31Å; E105-M107 PolarHBondContact O-N 3.3Å; E105-L108 PolarHBondContact O-N 3.19Å; E105-L108 VanDerWaalsContact O-N 3.08Å; E105-K109 WeakPolarHBondContact O-CG 3.4Å; E105-K109 PolarHBondContact O-N 3.34Å; E105-K109 WeakPolarHBondContact OE1-CE 3.15Å; E105-K109 IonicContact OE1-NZ 2.64Å; E105-K109 PolarHBondContact OE1-NZ 3.42Å; E105-V114 HydrophobicContact CG-CB 4.16Å; E105-V114 HydrophobicContact CG-CG1 4.26Å; E105-V114 HydrophobicContact CG-CG2 4.49Å; E105-T117 HydrophobicContact CB-CG2 3.87Å; E105-T117 HydrophobicContact CG-CG2 4.39Å
106N89Confident87.4Confident92 Ų9259 Ų5949%0.49231%0.313SS..Hα-helixtrans-65.7-30.7179.3-70.7-24.9000113.3Q102 E103 L108 K109 P110Q102-N106 WeakPolarHBondContact O-CB 3.36Å; Q102-N106 PolarHBondContact O-N 2.9Å; Q102-N106 PolarHBondContact O-ND2 3.48Å; E103-N106 PolarHBondContact O-N 3.39Å; N106-L108 VanDerWaalsContact C-N 3.32Å; N106-K109 PolarHBondContact OD1-NZ 3Å; N106-P110 WeakPolarHBondContact O-CD 3.43Å
107M86.1Confident87.8Confident23 Ų2359.9 Ų59.911%0.11332%0.318CS..Hα-helixtrans-66.5-33.2171.5-175.9178.668.900112.4L95 M99 E103 L104 E105 P110 F148 L153 L166L95-M107 HydrophobicContact CD2-CE 4.41Å; M99-M107 HydrophobicContact CE-CB 4.35Å; M99-M107 HydrophobicContact CE-SD 4.29Å; E103-M107 WeakPolarHBondContact O-CB 3.48Å; E103-M107 PolarHBondContact O-N 3.08Å; L104-M107 HydrophobicContact CD1-CE 3.75Å; L104-M107 PolarHBondContact O-N 3.32Å; E105-M107 VanDerWaalsContact C-N 3.31Å; E105-M107 PolarHBondContact O-N 3.3Å; M107-P110 WeakPolarHBondContact O-CD 3.22Å; M107-P110 WeakPolarHBondContact O-CG 3.29Å; M107-F148 HydrophobicContact CG-CD1 4.25Å; M107-F148 HydrophobicContact CG-CE1 3.48Å; M107-F148 VanDerWaalsContact CG-CE1 3.48Å; M107-F148 HydrophobicContact CG-CE2 4.14Å; M107-F148 HydrophobicContact CG-CZ 3.42Å; M107-F148 VanDerWaalsContact CG-CZ 3.42Å; M107-F148 WeakPolarHBondContact O-CE2 3.3Å; M107-F148 WeakPolarHBondContact O-CZ 3.48Å; M107-F148 HydrophobicContact SD-CD1 3.95Å; M107-F148 HydrophobicContact SD-CE1 3.7Å; M107-F148 HydrophobicContact SD-CZ 4.22Å; M107-L153 HydrophobicContact SD-CD1 3.57Å; M107-L153 VanDerWaalsContact SD-CD1 3.57Å; M107-L166 HydrophobicContact SD-CD1 4.2Å
108L88.6Confident88.1Confident0 Ų064 Ų640%032%0.324CS..Hα-helixtrans-91.2-31.9-173.7-67.4174.9000113.8I92 L104 E105 N106 P110 L111 G112 V114 A133 M135 V144 F148I92-L108 HydrophobicContact CD1-CD1 3.96Å; I92-L108 HydrophobicContact CD1-CD2 4.25Å; L104-L108 HydrophobicContact CD1-CD1 4.25Å; L104-L108 HydrophobicContact CG-CD1 4.39Å; L104-L108 VanDerWaalsContact O-CG 3.27Å; L104-L108 WeakPolarHBondContact O-CG 2.91Å; L104-L108 PolarHBondContact O-N 3.36Å; E105-L108 PolarHBondContact O-N 3.19Å; E105-L108 VanDerWaalsContact O-N 3.08Å; N106-L108 VanDerWaalsContact C-N 3.32Å; L108-P110 VanDerWaalsContact C-N 3.35Å; L108-P110 VanDerWaalsContact O-N 3.16Å; L108-L111 PolarHBondContact O-N 3.49Å; L108-G112 PolarHBondContact O-N 2.93Å; L108-V114 HydrophobicContact CB-CG2 3.59Å; L108-A133 HydrophobicContact CD1-CB 3.42Å; L108-A133 VanDerWaalsContact CD1-CB 3.42Å; L108-M135 HydrophobicContact CD1-SD 4.48Å; L108-V144 HydrophobicContact CD2-CB 4.4Å; L108-V144 HydrophobicContact CD2-CG1 3.41Å; L108-V144 VanDerWaalsContact CD2-CG1 3.41Å; L108-V144 HydrophobicContact CD2-CG2 4.02Å; L108-F148 HydrophobicContact CD2-CD2 4.36Å; L108-F148 HydrophobicContact CD2-CE2 4.39Å
109K87.6Confident88.6Confident103 Ų10361.7 Ų61.745%0.44831%0.307SS..THydrogen-bonded Turntrans-40.3-44.5174.2-85.9174.9-174.8151.90116.5E105 N106 L111E105-K109 WeakPolarHBondContact O-CG 3.4Å; E105-K109 PolarHBondContact O-N 3.34Å; E105-K109 WeakPolarHBondContact OE1-CE 3.15Å; E105-K109 IonicContact OE1-NZ 2.64Å; E105-K109 PolarHBondContact OE1-NZ 3.42Å; N106-K109 PolarHBondContact OD1-NZ 3Å; K109-L111 PolarHBondContact O-N 2.81Å; K109-L111 VanDerWaalsContact O-N 3.16Å
110P88.2Confident88.9Confident99 Ų9964 Ų6464%0.64332%0.32SS*.THydrogen-bonded Turntrans-67.2-10.6-178.824.7-35.6000115N106 M107 L108N106-P110 WeakPolarHBondContact O-CD 3.43Å; M107-P110 WeakPolarHBondContact O-CD 3.22Å; M107-P110 WeakPolarHBondContact O-CG 3.29Å; L108-P110 VanDerWaalsContact C-N 3.35Å; L108-P110 VanDerWaalsContact O-N 3.16Å
111L85.3Confident89.1Confident32 Ų3265.3 Ų65.317%0.16832%0.319CS..THydrogen-bonded Turntrans-104.6-33.1179.5-57.1-176.1000112.7L108 K109 K140 V143 V144 H147 F148L108-L111 PolarHBondContact O-N 3.49Å; K109-L111 PolarHBondContact O-N 2.81Å; K109-L111 VanDerWaalsContact O-N 3.16Å; L111-K140 WeakPolarHBondContact O-CD 3.42Å; L111-K140 PolarHBondContact O-NZ 2.87Å; L111-V143 HydrophobicContact CB-CG1 4.28Å; L111-V143 HydrophobicContact CD1-CG1 4.42Å; L111-V143 HydrophobicContact CD2-CG1 4.21Å; L111-V144 HydrophobicContact CB-CG2 3.94Å; L111-V144 HydrophobicContact CD1-CB 4.31Å; L111-V144 HydrophobicContact CD1-CG2 3.85Å; L111-H147 HydrophobicContact CD1-CB 3.6Å; L111-H147 HydrophobicContact CD2-CB 4.47Å; L111-F148 HydrophobicContact CD1-CD2 3.67Å; L111-F148 HydrophobicContact CD1-CE2 3.4Å; L111-F148 VanDerWaalsContact CD1-CE2 3.4Å; L111-F148 HydrophobicContact CG-CE2 4.2Å
112G85Confident89.1Confident7 Ų766.4 Ų66.47%0.07233%0.326CS..SBendtrans-173.9169.9175.600000112.3L108 E136L108-G112 PolarHBondContact O-N 2.93Å; G112-E136 VanDerWaalsContact CA-OE1 3.24Å; G112-E136 WeakPolarHBondContact CA-OE1 3.47Å
113H88.1Confident89.1Confident123 Ų12364.2 Ų64.257%0.56933%0.333SS*.  trans-67.8136.5174.9-175.567.6000111E136H113-E136 HydrophobicContact CB-CB 4.18Å; H113-E136 HydrophobicContact CB-CG 4.32Å; H113-E136 WeakPolarHBondContact CB-OE2 2.99Å; H113-E136 PolarHBondContact N-OE1 3Å; H113-E136 PolarHBondContact O-N 2.9Å
114V91.1Very high89Confident13 Ų1366 Ų668%0.07935%0.346CS..EExtended strand (participates in β ladder)trans-107.3115.8-176.6-172.50000107.9E105 L108 T117 R134 M135E105-V114 HydrophobicContact CG-CB 4.16Å; E105-V114 HydrophobicContact CG-CG1 4.26Å; E105-V114 HydrophobicContact CG-CG2 4.49Å; L108-V114 HydrophobicContact CB-CG2 3.59Å; V114-T117 HydrophobicContact CG1-CG2 3.71Å; V114-R134 CarbonylContact C-O 3.58Å; V114-M135 HydrophobicContact CG2-CE 4.04Å; V114-M135 HydrophobicContact CG2-SD 4.13Å
115I88.3Confident88.8Confident96 Ų9668 Ų6849%0.49237%0.367SS..EExtended strand (participates in β ladder)trans-74.3-36.7178.9-60.5-176.9000110.7R134 M135I115-R134 HydrophobicContact CB-CB 4.21Å; I115-R134 HydrophobicContact CB-CG 4.01Å; I115-R134 HydrophobicContact CD1-CG 4.22Å; I115-R134 HydrophobicContact CG1-CG 4.48Å; I115-R134 HydrophobicContact CG2-CG 4.5Å; I115-R134 PolarHBondContact N-O 2.77Å; I115-M135 WeakPolarHBondContact CD1-O 3.39Å
116S86.9Confident88.6Confident60 Ų6068.8 Ų68.842%0.4238%0.376SS..EExtended strand (participates in β ladder)trans-163.7154.8174.657.60000112.9A133 R134S116-A133 CarbonylContact O-C 3.55Å; S116-A133 VanDerWaalsContact O-CA 3.31Å; S116-A133 WeakPolarHBondContact O-CA 3.3Å; S116-R134 PolarHBondContact N-O 2.89Å; S116-R134 PolarHBondContact O-N 3.49Å
117T92.1Very high88.6Confident28 Ų2864.7 Ų64.717%0.17236%0.355CS..EExtended strand (participates in β ladder)trans-124.8156.9166.359.90000110.4E101 L104 E105 V114 F132 A133E101-T117 PolarHBondContact O-OG1 3.01Å; L104-T117 HydrophobicContact CD2-CG2 4.44Å; L104-T117 HydrophobicContact CG-CG2 4.15Å; E105-T117 HydrophobicContact CB-CG2 3.87Å; E105-T117 HydrophobicContact CG-CG2 4.39Å; V114-T117 HydrophobicContact CG1-CG2 3.71Å; T117-F132 CarbonylContact C-O 3.55Å; T117-F132 WeakPolarHBondContact CA-O 3.45Å; T117-A133 HydrophobicContact CG2-CB 4.25Å
118R91.5Very high88.6Confident177 Ų17771.5 Ų71.567%0.66838%0.379SS*.EExtended strand (participates in β ladder)trans-157.2130.4172.1-178.4175.9-178.6166.93.8110.6G131 F132R118-G131 CarbonylContact O-C 3.58Å; R118-G131 VanDerWaalsContact O-CA 3.29Å; R118-G131 WeakPolarHBondContact O-CA 3.37Å; R118-F132 PolarHBondContact N-O 3.13Å; R118-F132 PolarHBondContact O-N 2.68Å
119I92.1Very high88.6Confident6 Ų671.9 Ų71.93%0.03138%0.383CS..EExtended strand (participates in β ladder)trans-99.6143.5174.4-63.9-178.7000109.8M99 D100 E101 L104 R121 S127M99-I119 WeakPolarHBondContact O-CD1 3.36Å; D100-I119 VanDerWaalsContact C-CD1 3.46Å; E101-I119 HydrophobicContact CG-CB 4.48Å; E101-I119 HydrophobicContact CG-CG1 4.21Å; E101-I119 WeakPolarHBondContact OE1-CB 3.39Å; E101-I119 PolarHBondContact OE1-N 3.32Å; L104-I119 HydrophobicContact CD2-CD1 4.34Å; L104-I119 HydrophobicContact CD2-CG1 3.98Å; I119-R121 PolarHBondContact O-N 2.75Å; I119-S127 WeakPolarHBondContact CG2-OG 3.22Å
120L91.1Very high88.7Confident55 Ų5568 Ų6829%0.28837%0.368SS..EExtended strand (participates in β ladder)trans-85.8107.5174.2-93.958.5000108.5R128 V130 F132L120-R128 VanDerWaalsContact O-CB 3.26Å; L120-R128 WeakPolarHBondContact O-CB 3.43Å; L120-R128 WeakPolarHBondContact O-CG 3.31Å; L120-R128 PolarHBondContact O-N 2.87Å; L120-V130 HydrophobicContact CB-CB 4.35Å; L120-V130 HydrophobicContact CD2-CG1 4.17Å; L120-V130 PolarHBondContact N-O 3.33Å; L120-F132 HydrophobicContact CD1-CD2 3.56Å; L120-F132 HydrophobicContact CD1-CE2 3.52Å; L120-F132 HydrophobicContact CD2-CE2 3.94Å; L120-F132 HydrophobicContact CG-CE2 4.4Å
121R92Very high88.9Confident103 Ų10363.3 Ų63.339%0.38934%0.337SS..EExtended strand (participates in β ladder)trans-96.3148.3171.6-59.2177.2-165.9-106.91.3109.4D100 E101 I119 G125 V126D100-R121 IonicContact OD1-CZ 3.4Å; D100-R121 IonicContact OD1-NH1 3.13Å; D100-R121 PolarHBondContact OD1-NH1 3.17Å; D100-R121 VanDerWaalsContact OD1-NH1 3.16Å; D100-R121 IonicContact OD1-NH2 2.68Å; D100-R121 PolarHBondContact OD1-NH2 2.88Å; E101-R121 IonicContact OE1-NH2 3.16Å; E101-R121 IonicContact OE2-CZ 2.96Å; E101-R121 IonicContact OE2-NE 2.68Å; E101-R121 IonicContact OE2-NH2 4Å; E101-R121 PolarHBondContact OE2-NH2 3.46Å; I119-R121 PolarHBondContact O-N 2.75Å; R121-G125 WeakPolarHBondContact CD-O 3.45Å; R121-V126 CarbonylContact C-O 3.47Å; R121-V126 VanDerWaalsContact CA-O 3.28Å; R121-V126 WeakPolarHBondContact CA-O 3.27Å
122D90.4Very high89.2Confident74 Ų7465.3 Ų65.340%0.39635%0.345SS..  trans-75.7173175-177.347.1000111.4N124 G125 V126 R128D122-N124 PolarHBondContact O-N 2.83Å; D122-N124 VanDerWaalsContact O-N 3.1Å; D122-N124 PolarHBondContact OD2-ND2 2.86Å; D122-G125 PolarHBondContact O-N 3.12Å; D122-V126 PolarHBondContact N-O 2.81Å; D122-R128 HydrophobicContact CB-CG 4.11Å
123A90.8Very high89.6Confident101 Ų10165.2 Ų65.284%0.83534%0.343SS*.THydrogen-bonded Turntrans-53.9-27.9173.600000113.1G125A123-G125 VanDerWaalsContact C-N 3.28Å; A123-G125 PolarHBondContact O-N 2.86Å
124N86.2Confident89.7Confident131 Ų13163.3 Ų63.370%0.70133%0.331SS*.THydrogen-bonded Turntrans-83.26.9175.8-58.5-71.9000114.1D122 V126D122-N124 PolarHBondContact O-N 2.83Å; D122-N124 VanDerWaalsContact O-N 3.1Å; D122-N124 PolarHBondContact OD2-ND2 2.86Å; N124-V126 HydrophobicContact CB-CG2 4.26Å; N124-V126 PolarHBondContact O-N 2.82Å; N124-V126 VanDerWaalsContact O-N 3.17Å
125G84.6Confident89.7Confident43 Ų4362.7 Ų62.744%0.44333%0.327SS..SBendtrans76.6-10.3-177.300000115.4R121 D122 A123R121-G125 WeakPolarHBondContact CD-O 3.45Å; D122-G125 PolarHBondContact O-N 3.12Å; A123-G125 VanDerWaalsContact C-N 3.28Å; A123-G125 PolarHBondContact O-N 2.86Å
126V86Confident89.6Confident78 Ų7862.4 Ų62.447%0.47332%0.324SS..  trans-68.1132.8179.8-176.30000111V97 R121 D122 N124 R128V97-V126 HydrophobicContact CG1-CG1 3.54Å; R121-V126 CarbonylContact C-O 3.47Å; R121-V126 VanDerWaalsContact CA-O 3.28Å; R121-V126 WeakPolarHBondContact CA-O 3.27Å; D122-V126 PolarHBondContact N-O 2.81Å; N124-V126 HydrophobicContact CB-CG2 4.26Å; N124-V126 PolarHBondContact O-N 2.82Å; N124-V126 VanDerWaalsContact O-N 3.17Å; V126-R128 PolarHBondContact O-N 3.09Å
127S88.1Confident89.5Confident7 Ų761 Ų615%0.04931%0.314CS..EExtended strand (participates in β ladder)trans-61.9134.2174.6174.80000111.4V97 I119 G129V97-S127 VanDerWaalsContact O-CB 3.28Å; V97-S127 WeakPolarHBondContact O-CB 3.21Å; I119-S127 WeakPolarHBondContact CG2-OG 3.22Å; S127-G129 PolarHBondContact O-N 2.81Å; S127-G129 PolarHBondContact OG-N 3.26Å
128R87.3Confident89.3Confident165 Ų16561.3 Ų61.362%0.62332%0.316SS*.EExtended strand (participates in β ladder)trans-85.99.8176.7-61.8-177.457.2175.5-2.4113.3L120 D122 V126 V130L120-R128 VanDerWaalsContact O-CB 3.26Å; L120-R128 WeakPolarHBondContact O-CB 3.43Å; L120-R128 WeakPolarHBondContact O-CG 3.31Å; L120-R128 PolarHBondContact O-N 2.87Å; D122-R128 HydrophobicContact CB-CG 4.11Å; V126-R128 PolarHBondContact O-N 3.09Å; R128-V130 PolarHBondContact O-N 2.69Å
129G87.6Confident89.2Confident8 Ų859.7 Ų59.78%0.08232%0.316CS..EExtended strand (participates in β ladder)trans65.420.1-175.100000114.1S93 N94 L95 S127S93-G129 CarbonylContact C-O 3.51Å; S93-G129 WeakPolarHBondContact CA-O 3.48Å; N94-G129 PolarHBondContact N-O 3.3Å; L95-G129 PolarHBondContact N-O 3.42Å; L95-G129 WeakPolarHBondContact O-CA 3.19Å; S127-G129 PolarHBondContact O-N 2.81Å; S127-G129 PolarHBondContact OG-N 3.26Å
130V90.5Very high89Confident22 Ų2262.6 Ų62.613%0.13333%0.328CS..EExtended strand (participates in β ladder)trans-126.6130.8-178.5175.90000109.2Y91 I92 L120 R128 F132Y91-V130 HydrophobicContact CD2-CG1 4.24Å; Y91-V130 HydrophobicContact CE2-CG1 3.46Å; Y91-V130 VanDerWaalsContact CE2-CG1 3.46Å; I92-V130 CarbonylContact O-C 3.45Å; I92-V130 WeakPolarHBondContact O-CA 3.47Å; L120-V130 HydrophobicContact CB-CB 4.35Å; L120-V130 HydrophobicContact CD2-CG1 4.17Å; L120-V130 PolarHBondContact N-O 3.33Å; R128-V130 PolarHBondContact O-N 2.69Å; V130-F132 HydrophobicContact CG1-CE2 4.47Å
131G92.1Very high89Confident0 Ų060 Ų600%032%0.315CS..EExtended strand (participates in β ladder)trans-133.2160.2175.600000112.5I92 R118I92-G131 PolarHBondContact N-O 3.22Å; I92-G131 PolarHBondContact O-N 2.79Å; I92-G131 VanDerWaalsContact O-O 3.11Å; R118-G131 CarbonylContact O-C 3.58Å; R118-G131 VanDerWaalsContact O-CA 3.29Å; R118-G131 WeakPolarHBondContact O-CA 3.37Å
132F92.4Very high88.9Confident75 Ų7560 Ų6033%0.32932%0.319SS..EExtended strand (participates in β ladder)trans-119.3144.1168.5-67.5-95.7000108.6L90 Y91 T117 R118 L120 V130 A171L90-F132 VanDerWaalsContact O-CA 3.29Å; L90-F132 WeakPolarHBondContact O-CA 3.45Å; Y91-F132 HydrophobicContact CD2-CD1 4.48Å; Y91-F132 AromaticContact CD2-CE1 3.78Å; Y91-F132 HydrophobicContact CD2-CE1 3.78Å; Y91-F132 HydrophobicContact CD2-CE2 4.35Å; Y91-F132 AromaticContact CD2-CZ 3.71Å; Y91-F132 HydrophobicContact CD2-CZ 3.71Å; Y91-F132 HydrophobicContact CE2-CZ 4.23Å; T117-F132 CarbonylContact C-O 3.55Å; T117-F132 WeakPolarHBondContact CA-O 3.45Å; R118-F132 PolarHBondContact N-O 3.13Å; R118-F132 PolarHBondContact O-N 2.68Å; L120-F132 HydrophobicContact CD1-CD2 3.56Å; L120-F132 HydrophobicContact CD1-CE2 3.52Å; L120-F132 HydrophobicContact CD2-CE2 3.94Å; L120-F132 HydrophobicContact CG-CE2 4.4Å; V130-F132 HydrophobicContact CG1-CE2 4.47Å; F132-A171 HydrophobicContact CD1-CB 3.89Å; F132-A171 HydrophobicContact CE1-CB 3.95Å
133A92.1Very high88.9Confident4 Ų459.6 Ų59.63%0.03332%0.319CS..EExtended strand (participates in β ladder)trans-133.7151172.300000109.8N89 L90 I92 L108 S116 T117N89-A133 CarbonylContact C-O 3.55Å; N89-A133 WeakPolarHBondContact CA-O 3.46Å; L90-A133 HydrophobicContact CB-CB 4.48Å; L90-A133 PolarHBondContact N-O 2.93Å; L90-A133 PolarHBondContact O-N 2.72Å; L90-A133 VanDerWaalsContact O-N 3.13Å; I92-A133 HydrophobicContact CD1-CB 4.29Å; L108-A133 HydrophobicContact CD1-CB 3.42Å; L108-A133 VanDerWaalsContact CD1-CB 3.42Å; S116-A133 CarbonylContact O-C 3.55Å; S116-A133 VanDerWaalsContact O-CA 3.31Å; S116-A133 WeakPolarHBondContact O-CA 3.3Å; T117-A133 HydrophobicContact CG2-CB 4.25Å
134R90.4Very high88.9Confident84 Ų8454.8 Ų54.832%0.31728%0.28SS..EExtended strand (participates in β ladder)trans-116.1124.5168.8-177.1175-68.3179.4-2.2109.5T88 N89 V114 I115 S116T88-R134 CarbonylContact O-C 3.55Å; T88-R134 VanDerWaalsContact O-CA 3.3Å; T88-R134 WeakPolarHBondContact O-CA 3.41Å; N89-R134 VanDerWaalsContact OD1-CZ 3.28Å; N89-R134 PolarHBondContact OD1-NE 2.83Å; N89-R134 PolarHBondContact OD1-NH2 3.49Å; V114-R134 CarbonylContact C-O 3.58Å; I115-R134 HydrophobicContact CB-CB 4.21Å; I115-R134 HydrophobicContact CB-CG 4.01Å; I115-R134 HydrophobicContact CD1-CG 4.22Å; I115-R134 HydrophobicContact CG1-CG 4.48Å; I115-R134 HydrophobicContact CG2-CG 4.5Å; I115-R134 PolarHBondContact N-O 2.77Å; S116-R134 PolarHBondContact N-O 2.89Å; S116-R134 PolarHBondContact O-N 3.49Å
135M90.9Very high89.1Confident0 Ų050 Ų500%025%0.254CS..EExtended strand (participates in β ladder)trans-91.2169.7174.8-54.6-53.8-62.500111.2T88 L90 L108 V114 I115 S137 K140 V144T88-M135 WeakPolarHBondContact CB-O 3.41Å; T88-M135 PolarHBondContact O-N 3.06Å; L90-M135 HydrophobicContact CD1-CG 3.75Å; L90-M135 HydrophobicContact CD1-SD 4.13Å; L90-M135 HydrophobicContact CG-CG 4.43Å; L108-M135 HydrophobicContact CD1-SD 4.48Å; V114-M135 HydrophobicContact CG2-CE 4.04Å; V114-M135 HydrophobicContact CG2-SD 4.13Å; I115-M135 WeakPolarHBondContact CD1-O 3.39Å; M135-S137 VanDerWaalsContact C-N 3.35Å; M135-K140 HydrophobicContact CB-CB 4.09Å; M135-K140 HydrophobicContact CE-CB 4.38Å; M135-V144 HydrophobicContact CE-CG2 3.95Å; M135-V144 HydrophobicContact SD-CG2 4.18Å
136E87.3Confident89.4Confident89 Ų8955.1 Ų55.142%0.41627%0.266SS..SBendtrans-65.9-29.2171.665.4-164.9144.500114.6G112 H113 K140G112-E136 VanDerWaalsContact CA-OE1 3.24Å; G112-E136 WeakPolarHBondContact CA-OE1 3.47Å; H113-E136 HydrophobicContact CB-CB 4.18Å; H113-E136 HydrophobicContact CB-CG 4.32Å; H113-E136 WeakPolarHBondContact CB-OE2 2.99Å; H113-E136 PolarHBondContact N-OE1 3Å; H113-E136 PolarHBondContact O-N 2.9Å; E136-K140 HydrophobicContact CG-CB 4.45Å; E136-K140 HydrophobicContact CG-CG 3.75Å; E136-K140 WeakPolarHBondContact OE1-CE 3.45Å
137S84.1Confident89.4Confident31 Ų3155 Ų5522%0.21726%0.26CS..  trans-153.8157-173.1162.80000111.7M135 E139 K140 C141M135-S137 VanDerWaalsContact C-N 3.35Å; S137-E139 PolarHBondContact OG-N 2.8Å; S137-K140 WeakPolarHBondContact O-CB 2.98Å; S137-K140 PolarHBondContact O-N 2.69Å; S137-C141 PolarHBondContact O-N 3.09Å
138T86.9Confident89.3Confident35 Ų3555.8 Ų55.822%0.21526%0.263CS..Hα-helixtrans-63.1-3817549.20000112.6D86 P87 T88 K140 C141 E142D86-T138 HydrophobicContact CB-CG2 3.82Å; P87-T138 HydrophobicContact CG-CG2 3.83Å; T88-T138 HydrophobicContact CG2-CG2 4.43Å; T138-K140 PolarHBondContact O-N 2.81Å; T138-C141 WeakPolarHBondContact O-CA 3.11Å; T138-C141 VanDerWaalsContact O-CB 3.26Å; T138-C141 WeakPolarHBondContact O-CB 3.46Å; T138-C141 PolarHBondContact O-N 3.13Å; T138-E142 PolarHBondContact O-N 3.43Å
139E89.3Confident89.4Confident142 Ų14251.6 Ų51.666%0.66425%0.252SS*.Hα-helixtrans-57.2-39.7174-58.8179.4158.200111.2S137 E142 V143S137-E139 PolarHBondContact OG-N 2.8Å; E139-E142 PolarHBondContact O-N 2.84Å; E139-V143 WeakPolarHBondContact O-CG2 3.31Å; E139-V143 PolarHBondContact O-N 3.03Å
140K89.9Confident89.2Confident68 Ų6853.4 Ų53.430%0.29627%0.271SS..Hα-helixtrans-69.4-35.4177-60.4-58.4-157.8161.50111.9L111 M135 E136 S137 T138 V143 V144L111-K140 WeakPolarHBondContact O-CD 3.42Å; L111-K140 PolarHBondContact O-NZ 2.87Å; M135-K140 HydrophobicContact CB-CB 4.09Å; M135-K140 HydrophobicContact CE-CB 4.38Å; E136-K140 HydrophobicContact CG-CB 4.45Å; E136-K140 HydrophobicContact CG-CG 3.75Å; E136-K140 WeakPolarHBondContact OE1-CE 3.45Å; S137-K140 WeakPolarHBondContact O-CB 2.98Å; S137-K140 PolarHBondContact O-N 2.69Å; T138-K140 PolarHBondContact O-N 2.81Å; K140-V143 PolarHBondContact O-N 3.33Å; K140-V144 WeakPolarHBondContact O-CB 3.29Å; K140-V144 WeakPolarHBondContact O-CG2 3.47Å; K140-V144 PolarHBondContact O-N 3.2Å
141C89.3Confident88.7Confident0 Ų056.7 Ų56.70%028%0.284CS..Hα-helixtrans-60.5-44170.2-710000112T88 L90 S137 T138 V144 I145 F170T88-C141 VanDerWaalsContact CA-SG 3.5Å; T88-C141 PolarHBondContact O-SG 2.73Å; L90-C141 HydrophobicContact CD2-CB 3.68Å; L90-C141 HydrophobicContact CG-CB 4.17Å; S137-C141 PolarHBondContact O-N 3.09Å; T138-C141 WeakPolarHBondContact O-CA 3.11Å; T138-C141 VanDerWaalsContact O-CB 3.26Å; T138-C141 WeakPolarHBondContact O-CB 3.46Å; T138-C141 PolarHBondContact O-N 3.13Å; C141-V144 PolarHBondContact O-N 2.84Å; C141-I145 WeakPolarHBondContact O-CB 3.48Å; C141-I145 WeakPolarHBondContact O-CD1 3.41Å; C141-I145 WeakPolarHBondContact O-CG1 3.42Å; C141-I145 PolarHBondContact O-N 3.49Å; C141-F170 HydrophobicContact CB-CD1 4.14Å; C141-F170 HydrophobicContact CB-CE1 3.39Å; C141-F170 HydrophobicContact CB-CZ 3.94Å
142E90.2Very high88Confident103 Ų10363.6 Ų63.648%0.48131%0.311SS..Hα-helixtrans-62.8-45.2177.3-66.1-164179.300112.1T138 E139 V144 I145 Q146 F170T138-E142 PolarHBondContact O-N 3.43Å; E139-E142 PolarHBondContact O-N 2.84Å; E142-V144 VanDerWaalsContact C-N 3.34Å; E142-V144 PolarHBondContact O-N 3.05Å; E142-I145 PolarHBondContact O-N 3.13Å; E142-Q146 WeakPolarHBondContact O-CB 3.49Å; E142-Q146 VanDerWaalsContact O-CG 3.29Å; E142-Q146 WeakPolarHBondContact O-CG 3.34Å; E142-Q146 PolarHBondContact O-N 2.82Å; E142-F170 HydrophobicContact CG-CE2 4.23Å; E142-F170 HydrophobicContact CG-CZ 3.81Å
143V91.1Very high87Confident66 Ų6661.9 Ų61.940%0.431%0.305SS..Hα-helixtrans-61.3-41.3175.7174.40000111.4L111 E139 K140 H147L111-V143 HydrophobicContact CB-CG1 4.28Å; L111-V143 HydrophobicContact CD1-CG1 4.42Å; L111-V143 HydrophobicContact CD2-CG1 4.21Å; E139-V143 WeakPolarHBondContact O-CG2 3.31Å; E139-V143 PolarHBondContact O-N 3.03Å; K140-V143 PolarHBondContact O-N 3.33Å; V143-H147 WeakPolarHBondContact O-CB 3.3Å; V143-H147 PolarHBondContact O-N 3.44Å
144V90.1Very high85.6Confident0 Ų071.1 Ų71.10%034%0.344CS..Hα-helixtrans-62.9-44.3174.6168.90000111.8L90 L108 L111 M135 K140 C141 E142 H147 F148L90-V144 HydrophobicContact CD1-CB 3.83Å; L90-V144 HydrophobicContact CD1-CG1 3.43Å; L90-V144 VanDerWaalsContact CD1-CG1 3.43Å; L90-V144 HydrophobicContact CD1-CG2 4.31Å; L108-V144 HydrophobicContact CD2-CB 4.4Å; L108-V144 HydrophobicContact CD2-CG1 3.41Å; L108-V144 VanDerWaalsContact CD2-CG1 3.41Å; L108-V144 HydrophobicContact CD2-CG2 4.02Å; L111-V144 HydrophobicContact CB-CG2 3.94Å; L111-V144 HydrophobicContact CD1-CB 4.31Å; L111-V144 HydrophobicContact CD1-CG2 3.85Å; M135-V144 HydrophobicContact CE-CG2 3.95Å; M135-V144 HydrophobicContact SD-CG2 4.18Å; K140-V144 WeakPolarHBondContact O-CB 3.29Å; K140-V144 WeakPolarHBondContact O-CG2 3.47Å; K140-V144 PolarHBondContact O-N 3.2Å; C141-V144 PolarHBondContact O-N 2.84Å; E142-V144 VanDerWaalsContact C-N 3.34Å; E142-V144 PolarHBondContact O-N 3.05Å; V144-H147 PolarHBondContact O-N 3Å; V144-F148 HydrophobicContact CG1-CD2 4.25Å; V144-F148 WeakPolarHBondContact O-CB 3.46Å; V144-F148 PolarHBondContact O-N 2.98Å
145I90.8Very high84.1Confident30 Ų3068.5 Ų68.515%0.15434%0.338CS..Hα-helixtrans-62-53.3177.5-70.9163.2000109.8L90 C141 E142 H147 F148 N149 C168 F170L90-I145 HydrophobicContact CD2-CD1 3.71Å; L90-I145 HydrophobicContact CD2-CG1 3.74Å; C141-I145 WeakPolarHBondContact O-CB 3.48Å; C141-I145 WeakPolarHBondContact O-CD1 3.41Å; C141-I145 WeakPolarHBondContact O-CG1 3.42Å; C141-I145 PolarHBondContact O-N 3.49Å; E142-I145 PolarHBondContact O-N 3.13Å; I145-H147 VanDerWaalsContact C-N 3.27Å; I145-H147 PolarHBondContact O-N 3.47Å; I145-F148 PolarHBondContact O-N 2.96Å; I145-N149 HydrophobicContact CG2-CB 4.43Å; I145-N149 WeakPolarHBondContact O-CB 3.42Å; I145-N149 PolarHBondContact O-N 3.06Å; I145-C168 HydrophobicContact CG1-CB 4.39Å; I145-F170 HydrophobicContact CD1-CD1 4.37Å; I145-F170 HydrophobicContact CD1-CD2 3.6Å; I145-F170 HydrophobicContact CD1-CE1 4.43Å; I145-F170 HydrophobicContact CD1-CE2 3.64Å; I145-F170 HydrophobicContact CD1-CG 3.99Å; I145-F170 HydrophobicContact CD1-CZ 4.08Å
146Q90Very high82.5Confident151 Ų15172.1 Ų72.171%0.70636%0.361SS*.Hα-helixtrans-60.6-35.1179.3-68.5174.924.500112.6E142E142-Q146 WeakPolarHBondContact O-CB 3.49Å; E142-Q146 VanDerWaalsContact O-CG 3.29Å; E142-Q146 WeakPolarHBondContact O-CG 3.34Å; E142-Q146 PolarHBondContact O-N 2.82Å
147H87.3Confident80.4Confident76 Ų7674.6 Ų74.635%0.35239%0.385SS..Hα-helixtrans-82.1-36.5-178.3-174.7-94.8000114L111 V143 V144 I145 K151L111-H147 HydrophobicContact CD1-CB 3.6Å; L111-H147 HydrophobicContact CD2-CB 4.47Å; V143-H147 WeakPolarHBondContact O-CB 3.3Å; V143-H147 PolarHBondContact O-N 3.44Å; V144-H147 PolarHBondContact O-N 3Å; I145-H147 VanDerWaalsContact C-N 3.27Å; I145-H147 PolarHBondContact O-N 3.47Å; H147-K151 PolarHBondContact CD2-NZ 3.25Å; H147-K151 PolarHBondContact CE1-NZ 3.22Å; H147-K151 PolarHBondContact NE2-NZ 2.91Å; H147-K151 WeakPolarHBondContact O-CD 3.29Å; H147-K151 WeakPolarHBondContact O-CE 3.47Å; H147-K151 PolarHBondContact O-NZ 3.16Å
148F86.6Confident79Confident22 Ų2277.1 Ų77.110%0.09642%0.416CS..Hα-helixtrans-107.4-24.2-172.9-76.1-71.9000115.1M107 L108 L111 V144 I145 G150 K151 L166 C168M107-F148 HydrophobicContact CG-CD1 4.25Å; M107-F148 HydrophobicContact CG-CE1 3.48Å; M107-F148 VanDerWaalsContact CG-CE1 3.48Å; M107-F148 HydrophobicContact CG-CE2 4.14Å; M107-F148 HydrophobicContact CG-CZ 3.42Å; M107-F148 VanDerWaalsContact CG-CZ 3.42Å; M107-F148 WeakPolarHBondContact O-CE2 3.3Å; M107-F148 WeakPolarHBondContact O-CZ 3.48Å; M107-F148 HydrophobicContact SD-CD1 3.95Å; M107-F148 HydrophobicContact SD-CE1 3.7Å; M107-F148 HydrophobicContact SD-CZ 4.22Å; L108-F148 HydrophobicContact CD2-CD2 4.36Å; L108-F148 HydrophobicContact CD2-CE2 4.39Å; L111-F148 HydrophobicContact CD1-CD2 3.67Å; L111-F148 HydrophobicContact CD1-CE2 3.4Å; L111-F148 VanDerWaalsContact CD1-CE2 3.4Å; L111-F148 HydrophobicContact CG-CE2 4.2Å; V144-F148 HydrophobicContact CG1-CD2 4.25Å; V144-F148 WeakPolarHBondContact O-CB 3.46Å; V144-F148 PolarHBondContact O-N 2.98Å; I145-F148 PolarHBondContact O-N 2.96Å; F148-G150 PolarHBondContact O-N 2.9Å; F148-K151 PolarHBondContact O-N 2.68Å; F148-K151 VanDerWaalsContact O-N 3.13Å; F148-L166 HydrophobicContact CD1-CD1 4.3Å; F148-C168 VanDerWaalsContact CB-SG 3.6Å
149N88.7Confident77.8Confident77 Ų7778.5 Ų78.541%0.41242%0.421SS..THydrogen-bonded Turntrans-62.4128.7177.4-167.540.8000110.6I145 K151 L167 C168I145-N149 HydrophobicContact CG2-CB 4.43Å; I145-N149 WeakPolarHBondContact O-CB 3.42Å; I145-N149 PolarHBondContact O-N 3.06Å; N149-K151 VanDerWaalsContact C-N 3.34Å; N149-L167 WeakPolarHBondContact OD1-CA 3.16Å; N149-C168 HydrophobicContact CB-CB 4.04Å; N149-C168 PolarHBondContact OD1-N 3.28Å; N149-C168 PolarHBondContact OD1-O 3.27Å
150G82.6Confident76.4Confident46 Ų4677.1 Ų77.147%0.47442%0.424SS..THydrogen-bonded Turntrans80.72.2-177.400000115.5F148 P165 L166F148-G150 PolarHBondContact O-N 2.9Å; G150-P165 WeakPolarHBondContact O-CB 3.4Å; G150-L166 PolarHBondContact N-O 2.77Å
151K81.4Confident74.9Confident91 Ų9177.1 Ų77.140%0.39644%0.438SS..PPolyproline II helixtrans-93.8140.9174.8-70.2-168.2-177153.60112.3H147 F148 N149 L166H147-K151 PolarHBondContact CD2-NZ 3.25Å; H147-K151 PolarHBondContact CE1-NZ 3.22Å; H147-K151 PolarHBondContact NE2-NZ 2.91Å; H147-K151 WeakPolarHBondContact O-CD 3.29Å; H147-K151 WeakPolarHBondContact O-CE 3.47Å; H147-K151 PolarHBondContact O-NZ 3.16Å; F148-K151 PolarHBondContact O-N 2.68Å; F148-K151 VanDerWaalsContact O-N 3.13Å; N149-K151 VanDerWaalsContact C-N 3.34Å; K151-L166 VanDerWaalsContact O-CB 3.3Å; K151-L166 WeakPolarHBondContact O-CB 3.29Å; K151-L166 WeakPolarHBondContact O-CG 3.34Å; K151-L166 PolarHBondContact O-N 2.97Å
152Y77.3Confident73.7Confident146 Ų14678.3 Ų78.357%0.57345%0.445SS*.PPolyproline II helixtrans-80.7131.5169.6-63.6-90.8000110P165Y152-P165 HydrophobicContact CD1-CB 4.38Å; Y152-P165 HydrophobicContact CD2-CB 4.35Å; Y152-P165 HydrophobicContact CE1-CB 4.17Å; Y152-P165 HydrophobicContact CE2-CB 4.12Å; Y152-P165 HydrophobicContact CG-CB 4.47Å
153L71.9Confident72.3Confident39 Ų3980 Ų8020%0.20446%0.463CS..PPolyproline II helixtrans-75.1131.4172.6-164.375.1000109.9P96 M99 M107 T155 L166P96-L153 HydrophobicContact CG-CD2 3.61Å; M99-L153 HydrophobicContact CE-CD2 3.9Å; M99-L153 HydrophobicContact SD-CD2 3.56Å; M99-L153 VanDerWaalsContact SD-CD2 3.56Å; M107-L153 HydrophobicContact SD-CD1 3.57Å; M107-L153 VanDerWaalsContact SD-CD1 3.57Å; L153-T155 PolarHBondContact O-N 2.81Å; L153-L166 HydrophobicContact CB-CD1 4.27Å; L153-L166 HydrophobicContact CD1-CD1 4.31Å
154K62.1Low71.7Confident197 Ų19782.5 Ų82.586%0.85747%0.47SS*.  trans-76.2102.5171.1-65.5-175.2180-177.40108.9
155T57.8Low71.4Confident30 Ų3084.5 Ų84.518%0.18448%0.483CS..PPolyproline II helixtrans-69151.6171.244.30000111.5P96 L153 I159P96-T155 HydrophobicContact CB-CG2 4.26Å; P96-T155 HydrophobicContact CG-CG2 3.9Å; L153-T155 PolarHBondContact O-N 2.81Å; T155-I159 HydrophobicContact CG2-CB 4.32Å; T155-I159 HydrophobicContact CG2-CG2 4.04Å; T155-I159 PolarHBondContact OG1-O 3.45Å; T155-I159 VanDerWaalsContact OG1-O 3.05Å
156P57.5Low71.3Confident75 Ų7583.2 Ų83.249%0.48748%0.476SS..PPolyproline II helixtrans-57.5152.7166.9-24.934.7000112.5G158 I159P156-G158 PolarHBondContact O-N 2.77Å; P156-I159 PolarHBondContact O-N 2.97Å
157P43.8Very low71.3Confident141 Ų14179.5 Ų79.592%0.91646%0.461SS*.THydrogen-bonded Turntrans-56.2123.5177.8-2434.2000112
158G54.8Low71.4Confident84 Ų8476 Ų7687%0.86645%0.445SS*.THydrogen-bonded Turntrans109.1-13.4179.800000115.2P156P156-G158 PolarHBondContact O-N 2.77Å
159I62.3Low71.6Confident64 Ų6478.5 Ų78.533%0.32846%0.456SS..SBendtrans-99.6127.3174.2-53.2-176.8000108.8S98 T155 P156 A161S98-I159 WeakPolarHBondContact OG-CD1 3.06Å; T155-I159 HydrophobicContact CG2-CB 4.32Å; T155-I159 HydrophobicContact CG2-CG2 4.04Å; T155-I159 PolarHBondContact OG1-O 3.45Å; T155-I159 VanDerWaalsContact OG1-O 3.05Å; P156-I159 PolarHBondContact O-N 2.97Å; I159-A161 PolarHBondContact O-N 2.69Å
160P59.4Low71.7Confident113 Ų11378.2 Ų78.273%0.73445%0.451SS*.PPolyproline II helixtrans-57.5125.7179.924-33.8000110.2
161A58.9Low71.9Confident69 Ų6976.6 Ų76.657%0.5743%0.434SS*.PPolyproline II helixtrans-62137.3179.800000110.1I159 T163I159-A161 PolarHBondContact O-N 2.69Å; A161-T163 PolarHBondContact O-N 3.21Å; A161-T163 VanDerWaalsContact O-N 3.17Å
162P62.5Low71.5Confident25 Ų2578.3 Ų78.316%0.16245%0.447CS..PPolyproline II helixtrans-54.8121.7175.1-26.935.2000111.2P96 E164P96-P162 HydrophobicContact CG-CG 4Å; P162-E164 PolarHBondContact O-N 2.97Å
163T62.6Low70.7Confident138 Ų13874.1 Ų74.185%0.84745%0.448SS*.SBendtrans-66.4-20.6-179.9-30.60000112.6A161A161-T163 PolarHBondContact O-N 3.21Å; A161-T163 VanDerWaalsContact O-N 3.17Å
164E76.6Confident69.8Low118 Ų11876.1 Ų76.155%0.55148%0.479SS*.SBendtrans-112.2148.3176.9-63-173.8-166.700110.6N94 P162N94-E164 HydrophobicContact CB-CB 4.36Å; N94-E164 VanDerWaalsContact ND2-CB 3.28Å; N94-E164 WeakPolarHBondContact ND2-CB 3.34Å; N94-E164 PolarHBondContact ND2-OE2 3.05Å; P162-E164 PolarHBondContact O-N 2.97Å
165P84.8Confident69Low42 Ų4273.6 Ų73.627%0.27347%0.47SS..  trans-70159.1172.931.1-34.8000111.3N94 G150 Y152 L167N94-P165 VanDerWaalsContact CB-O 3.29Å; N94-P165 WeakPolarHBondContact CB-O 3.44Å; N94-P165 PolarHBondContact ND2-O 3.27Å; G150-P165 WeakPolarHBondContact O-CB 3.4Å; Y152-P165 HydrophobicContact CD1-CB 4.38Å; Y152-P165 HydrophobicContact CD2-CB 4.35Å; Y152-P165 HydrophobicContact CE1-CB 4.17Å; Y152-P165 HydrophobicContact CE2-CB 4.12Å; Y152-P165 HydrophobicContact CG-CB 4.47Å; P165-L167 PolarHBondContact O-N 2.88Å
166L89.1Confident68.5Low3 Ų381.2 Ų81.22%0.01650%0.5CS..  trans-58.6130.5171.7-68.2166.4000110.7L95 M107 F148 G150 K151 L153L95-L166 HydrophobicContact CD2-CD2 3.72Å; L95-L166 HydrophobicContact CG-CD2 4.33Å; M107-L166 HydrophobicContact SD-CD1 4.2Å; F148-L166 HydrophobicContact CD1-CD1 4.3Å; G150-L166 PolarHBondContact N-O 2.77Å; K151-L166 VanDerWaalsContact O-CB 3.3Å; K151-L166 WeakPolarHBondContact O-CB 3.29Å; K151-L166 WeakPolarHBondContact O-CG 3.34Å; K151-L166 PolarHBondContact O-N 2.97Å; L153-L166 HydrophobicContact CB-CD1 4.27Å; L153-L166 HydrophobicContact CD1-CD1 4.31Å
167L88.6Confident68Low74 Ų7486.6 Ų86.639%0.38752%0.516SS..EExtended strand (participates in β ladder)trans-100.7109.9169.7176.669.9000108.5Y91 I92 S93 N149 P165Y91-L167 HydrophobicContact CE1-CD2 4.39Å; I92-L167 CarbonylContact C-O 3.53Å; I92-L167 VanDerWaalsContact CA-O 3.3Å; I92-L167 WeakPolarHBondContact CA-O 3.28Å; S93-L167 PolarHBondContact N-O 3.24Å; S93-L167 PolarHBondContact O-N 3.02Å; N149-L167 WeakPolarHBondContact OD1-CA 3.16Å; P165-L167 PolarHBondContact O-N 2.88Å
168C90.9Very high68.1Low2 Ų291.6 Ų91.61%0.01452%0.516CS..EExtended strand (participates in β ladder)trans-110.1125.5173.7-66.40000109.6I145 F148 N149I145-C168 HydrophobicContact CG1-CB 4.39Å; F148-C168 VanDerWaalsContact CB-SG 3.6Å; N149-C168 HydrophobicContact CB-CB 4.04Å; N149-C168 PolarHBondContact OD1-N 3.28Å; N149-C168 PolarHBondContact OD1-O 3.27Å
169K90.4Very high67.3Low75 Ų7595.4 Ų95.433%0.32651%0.512SS..EExtended strand (participates in β ladder)trans-145.5169.4173.862.2159.9-167.5152.80110.9L90 Y91 A171 D172L90-K169 WeakPolarHBondContact CA-O 3.43Å; Y91-K169 HydrophobicContact CD1-CD 4.32Å; Y91-K169 HydrophobicContact CD1-CG 3.89Å; Y91-K169 HydrophobicContact CG-CG 4.4Å; Y91-K169 PolarHBondContact N-O 3.5Å; Y91-K169 PolarHBondContact O-N 3.43Å; Y91-K169 VanDerWaalsContact O-O 3.13Å; K169-A171 PolarHBondContact O-N 2.84Å; K169-D172 IonicContact NZ-OD2 3.38Å; K169-D172 PolarHBondContact NZ-OD2 2.81Å
170F90.7Very high66.2Low70 Ų7097.5 Ų97.531%0.30753%0.532SS..EExtended strand (participates in β ladder)trans-58.8137.4163.6-70.7-76.5000110.5P87 C141 E142 I145P87-F170 HydrophobicContact CB-CD1 4.07Å; P87-F170 HydrophobicContact CB-CE1 4.38Å; P87-F170 WeakPolarHBondContact O-CD1 3.26Å; P87-F170 VanDerWaalsContact O-CE1 3.31Å; P87-F170 WeakPolarHBondContact O-CE1 3.28Å; C141-F170 HydrophobicContact CB-CD1 4.14Å; C141-F170 HydrophobicContact CB-CE1 3.39Å; C141-F170 HydrophobicContact CB-CZ 3.94Å; E142-F170 HydrophobicContact CG-CE2 4.23Å; E142-F170 HydrophobicContact CG-CZ 3.81Å; I145-F170 HydrophobicContact CD1-CD1 4.37Å; I145-F170 HydrophobicContact CD1-CD2 3.6Å; I145-F170 HydrophobicContact CD1-CE1 4.43Å; I145-F170 HydrophobicContact CD1-CE2 3.64Å; I145-F170 HydrophobicContact CD1-CG 3.99Å; I145-F170 HydrophobicContact CD1-CZ 4.08Å
171A86.1Confident65.2Low13 Ų13101 Ų10111%0.10754%0.538CS..  trans-76.7131.3171.200000109.6N89 F132 K169 G173N89-A171 HydrophobicContact CB-CB 4.02Å; N89-A171 WeakPolarHBondContact O-CB 3.28Å; N89-A171 PolarHBondContact O-N 3.2Å; F132-A171 HydrophobicContact CD1-CB 3.89Å; F132-A171 HydrophobicContact CE1-CB 3.95Å; K169-A171 PolarHBondContact O-N 2.84Å; A171-G173 PolarHBondContact O-N 3.17Å
172D73.8Confident64Low126 Ų126102 Ų10267%0.67454%0.541SS*.  trans-57.9112.3175-60.1-75.1000109.6K169 G174K169-D172 IonicContact NZ-OD2 3.38Å; K169-D172 PolarHBondContact NZ-OD2 2.81Å; D172-G174 PolarHBondContact O-N 3.45Å
173G59.3Low62.8Low58 Ų58109.8 Ų109.860%0.59857%0.573SS**  trans-52.1137.2-17200000112.7A171 Q175A171-G173 PolarHBondContact O-N 3.17Å; G173-Q175 PolarHBondContact O-N 2.87Å
174G52.9Low61.4Low82 Ų82114 Ų11485%0.84558%0.575SS**SBendtrans-68.231.2-168.600000117.1D172D172-G174 PolarHBondContact O-N 3.45Å
175Q46.6Very low59.8Low143 Ų143114 Ų11467%0.66859%0.585SS**  trans-110.640.9173.7-70.2-66.1-10.200112.1G173 K177G173-Q175 PolarHBondContact O-N 2.87Å; Q175-K177 PolarHBondContact O-N 3.1Å
176K46.7Very low57.7Low190 Ų190120.5 Ų120.583%0.82661%0.612SS**  trans-64.184.6150.1-78.8-170.8-179.6178.50107.9R178K176-R178 PolarHBondContact O-N 3.18Å
177K46.3Very low55.1Low189 Ų189128.2 Ų128.282%0.82265%0.653SS**  trans-31.3106175.4-170.7173.6-170.41700108.7Q175 Q179Q175-K177 PolarHBondContact O-N 3.1Å; K177-Q179 PolarHBondContact O-N 3.17Å
178R46.4Very low52.8Low245 Ų245128 Ų12893%0.92567%0.669SS**  trans-64.985.5-174.2177.6-179.9159.9-172.9-7.6108.3K176 S180K176-R178 PolarHBondContact O-N 3.18Å; R178-S180 PolarHBondContact O-N 2.8Å
179Q38.3Very low50.2Low165 Ų165139.2 Ų139.277%0.77171%0.711SS**  trans-62.7108.7-178-171.817214.400107.1K177 Q181K177-Q179 PolarHBondContact O-N 3.17Å; Q179-Q181 PolarHBondContact O-N 2.8Å
180S38.9Very low48Very low107 Ų107141.4 Ų141.475%0.74873%0.733SS**  trans-56.8125.7-176.2-168.70000109R178 S182R178-S180 PolarHBondContact O-N 2.8Å; S180-S182 VanDerWaalsContact C-N 3.31Å; S180-S182 PolarHBondContact O-N 3.22Å
181Q39Very low45.4Very low186 Ų186150 Ų15087%0.86976%0.763SS**  trans-14.775-179.2-165.9178.618.400115.6Q179 K183Q179-Q181 PolarHBondContact O-N 2.8Å; Q181-K183 PolarHBondContact O-N 3.22Å
182S32.8Very low42.9Very low90 Ų90157.9 Ų157.963%0.62980%0.798SS**  trans-73.9115174.4-167.30000107.9S180 Y184S180-S182 VanDerWaalsContact C-N 3.31Å; S180-S182 PolarHBondContact O-N 3.22Å; S182-Y184 PolarHBondContact O-N 2.75Å
183K38.2Very low40.9Very low190 Ų190163.3 Ų163.383%0.82681%0.809SS**PPolyproline II helixtrans-62120.2-179.7-65.3175.9-179.7176.40108.8Q181 P185Q181-K183 PolarHBondContact O-N 3.22Å; K183-P185 VanDerWaalsContact O-CD 3.25Å; K183-P185 WeakPolarHBondContact O-CD 3.25Å
184Y32.2Very low39.4Very low225 Ų225169.2 Ų169.288%0.88282%0.821SS**PPolyproline II helixtrans-61.3122.7167.3-75.7-88.9000109.5S182S182-Y184 PolarHBondContact O-N 2.75Å
185P43.3Very low38.4Very low118 Ų118169 Ų16977%0.76682%0.818SS**PPolyproline II helixtrans-69.3131.215229.7-28.6000107.9K183 N187K183-P185 VanDerWaalsContact O-CD 3.25Å; K183-P185 WeakPolarHBondContact O-CD 3.25Å; P185-N187 PolarHBondContact O-N 3.45Å
186Q41.5Very low37.7Very low179 Ų179170.9 Ų170.984%0.83683%0.827SS**PPolyproline II helixtrans-64.1129.1173-179.4-155.2102.100109.9
187N33.8Very low37Very low165 Ų165165.7 Ų165.788%0.88283%0.827SS**  trans-162.7122.6146.8-99.9-33.3000108.5P185P185-N187 PolarHBondContact O-N 3.45Å
188G39.7Very low36.5Very low70 Ų70164.3 Ų164.372%0.72283%0.828SS**  trans-106.9154.8-160.600000115.8
189R37.1Very low35.9Very low237 Ų237161.7 Ų161.789%0.89483%0.828SS**  trans-142.4117.3148.5-78.5-175-177.7-87.7-4.4107.8
190P44Very low35.6Very low122 Ų122157.2 Ų157.279%0.79283%0.826SS**PPolyproline II helixtrans-69.7136.9176.1-18.232000111.2
191W35.8Very low35.5Very low249 Ų249157.8 Ų157.894%0.94383%0.83SS**PPolyproline II helixtrans-78.6127.8160.2-76.187.3000108.4
192H33.3Very low35.3Very low180 Ų180158.2 Ų158.283%0.83383%0.83SS**PPolyproline II helixtrans-66.7135.2170.7-83-115.3000109.7
193R32Very low35.4Very low239 Ų239161.4 Ų161.490%0.90284%0.838SS**  trans-119.5125159.3178.1179.6-75.2-169-4.6106.8
194E29.1Very low35.9Very low183 Ų183157.4 Ų157.486%0.85583%0.832SS**  trans-80147.5178.9-65.1157.5-136.900110
195G31.3Very low36.3Very low76 Ų76153.5 Ų153.578%0.78483%0.83SS**  trans159.576.8-176.700000115
196E31.2Very low36.1Very low184 Ų184154.1 Ų154.186%0.8683%0.832SS**  trans44.6111.2144.6-145.5168.8141.400120.3
197G32.1Very low36.4Very low80 Ų80151.7 Ų151.783%0.82583%0.832SS**  trans-137.993.917100000112.4
198L35.4Very low36.5Very low160 Ų160155.3 Ų155.384%0.83883%0.833SS**  trans-94.2103.6178.5-86167000112.1
199M34.5Very low36.5Very low190 Ų190159 Ų15994%0.93684%0.836SS**  trans-160.899.3142.3-163.6165.6-175.200114.2
200G32.5Very low36.6Very low71 Ų71155 Ų15573%0.73284%0.838SS**  trans45.1116.6143.200000122.7
201S36.1Very low36.2Very low119 Ų119152.3 Ų152.383%0.83283%0.833SS**  -163.7123.5117.7-85.30000114.2
202K36.1Very low36.7Very low196 Ų196150.2 Ų150.285%0.85284%0.836SS**  trans15.8130.5134.4-68.8173.8-176.3178.50116.7
203I34.9Very low36.9Very low156 Ų156145.9 Ų145.980%0.883%0.831SS**  cis-159157.326.1-102.5-88000109.3
204P48.7Very low37.3Very low107 Ų107143.1 Ų143.170%0.69583%0.833SS**  trans-96.6158-164.837.3-36.8000116.8
205V39.8Very low37.7Very low142 Ų142141.2 Ų141.286%0.86183%0.834SS**  trans-137.2154.6163.4-176.70000109.4
206V38.2Very low37.7Very low131 Ų131147.1 Ų147.179%0.79484%0.835SS**  trans-75.1158.2-163.8-77.20000116.7
207P48.4Very low37.9Very low128 Ų128145.7 Ų145.783%0.83183%0.833SS**  trans-91.3172.6-169.938-38.6000115
208R36.5Very low38.5Very low242 Ų242146 Ų14691%0.91382%0.821SS**  trans-152146.9160.8-162.1170.9-173.5172.32.6112.2
209D38.4Very low38.7Very low146 Ų146143.1 Ų143.178%0.78182%0.82SS**  trans-86.3142.5-166.2-39.4-101.5000115.1
210T40.9Very low38.9Very low153 Ų153139 Ų13994%0.93982%0.816SS**  trans179.8151.3132.120.60000108
211G35.8Very low39.3Very low67 Ų67144.7 Ų144.769%0.69183%0.826SS**  cis143.1107.11.800000109.4
212M46Very low39.4Very low205 Ų205147.4 Ų147.4100%1.0183%0.825SS**  trans-68.6132.8179.7-67.8-179.1178.800111.1
213A36.6Very low39.3Very low88 Ų88145.3 Ų145.373%0.72782%0.824SS**  trans-145.711616600000110.4
214L41.4Very low39.3Very low181 Ų181141.5 Ų141.595%0.94882%0.822SS**  trans-80.4133.1160.4-65169.3000107.5
215T37.1Very low38.5Very low143 Ų143146.3 Ų146.388%0.87783%0.833SS**  trans-108.8147167.1670000110
216Y32Very low38.2Very low200 Ų200150.2 Ų150.278%0.78483%0.833SS**  trans-133.8127.6-171.5164.4-92.2000107.4P218Y216-P218 HydrophobicContact CD1-CB 4.35Å; Y216-P218 HydrophobicContact CD1-CG 4.22Å; Y216-P218 HydrophobicContact CE1-CB 3.58Å; Y216-P218 HydrophobicContact CE1-CG 3.77Å
217D34Very low38Very low154 Ų154149.4 Ų149.482%0.82483%0.834SS**  trans-120.6112.7-176.1-169.65.5000110.5
218P45.8Very low37Very low88 Ų88148.4 Ų148.457%0.57183%0.83SS**  trans-112.894.5-169.637.6-29.5000115.2Y216Y216-P218 HydrophobicContact CD1-CB 4.35Å; Y216-P218 HydrophobicContact CD1-CG 4.22Å; Y216-P218 HydrophobicContact CE1-CB 3.58Å; Y216-P218 HydrophobicContact CE1-CG 3.77Å
219A39.8Very low37.3Very low99 Ų99141.9 Ų141.982%0.81882%0.819SS**  trans-159.470.4165.600000116.2
220A38.2Very low37.1Very low104 Ų104145.2 Ų145.286%0.8682%0.822SS**  trans-160.770.6163.500000113.9
221M40Very low36.7Very low190 Ų190143.3 Ų143.394%0.93682%0.815SS**  trans-92.8109.4171.2-70.2-175.573.100111.9
222Q38.3Very low36.7Very low175 Ų175147.6 Ų147.682%0.81882%0.82SS**  trans-167.3154.3141.2-116.7173.62.700113.5
223N34.3Very low36.1Very low153 Ų153142.2 Ų142.282%0.81881%0.809SS**  trans62.181.6172-51.3-44.3000115.3
224G34.4Very low36.1Very low75 Ų75144.7 Ų144.777%0.77382%0.815SS**  trans-87.9153.9173.900000113.8
225F33.6Very low35.8Very low208 Ų208142.4 Ų142.491%0.91280%0.803SS**  trans-144.1123.1156-137.9-92.7000108
226Y33.6Very low35.7Very low224 Ų224145.4 Ų145.488%0.87880%0.799SS**  trans-81.4131.9178.8-91.1-88.9000110.6
227S32.1Very low35.7Very low115 Ų115145 Ų14580%0.80481%0.806SS**  trans-156.7144155.2-93.40000110
228S28.8Very low36Very low107 Ų107144.6 Ų144.675%0.74880%0.803SS**  trans-144.2166.4172.4-56.60000107.9
229P43Very low35.5Very low104 Ų104145.1 Ų145.168%0.67581%0.814SS**  -104.8-161.8-79.227.3-12.2000111.4
230Y33.4Very low35.2Very low217 Ų217149.3 Ų149.385%0.85182%0.817SS**  trans76.8105.3175.8-52.3-79.1000118.1
231S32.4Very low35Very low113 Ų113151.1 Ų151.179%0.7982%0.817SS**  174.4-178.412448.40000110
232I35.5Very low34.8Very low157 Ų157146.7 Ų146.781%0.80581%0.805SS**  trans71.6106.3-179.1-53.7175.1000112.2
233A34Very low34.8Very low92 Ų92145.7 Ų145.776%0.7680%0.804SS**  cis81.5133.334.700000115
234T35.9Very low34.9Very low139 Ų139145 Ų14585%0.85381%0.805SS**  trans-74.1135.8-168.7-42.90000112.8
235N35.5Very low36.1Very low133 Ų133146.6 Ų146.671%0.71180%0.802SS**  154.1158.7108.8-156.1-6.8000113.3
236R34.2Very low36.2Very low206 Ų206146.6 Ų146.678%0.77780%0.802SS**  trans73.2109.6165.5-55.3-176.7179.6-174.5-0.9118.2
237M32.8Very low36.3Very low192 Ų192143.3 Ų143.395%0.94680%0.798SS**  trans-106138.7140.3-74.1178.66700108.8
238I39.5Very low36.4Very low146 Ų146142.7 Ų142.775%0.74980%0.8SS**  trans-124.1134169.7-66.2174000106.4
239A35.4Very low36.6Very low99 Ų99142.3 Ų142.382%0.81880%0.803SS**  trans-80.8151.1179.100000112
240Q34.3Very low36.2Very low187 Ų187142.8 Ų142.887%0.87481%0.809SS**  trans-100.9150.8-179.5-58.3171.6-47.200111.7
241T33.8Very low37Very low141 Ų141138.6 Ų138.687%0.86581%0.808SS**  trans-147.4150.615133.60000112.5
242S35.3Very low37.4Very low97 Ų97139.5 Ų139.568%0.67881%0.809SS**  trans-36.6136.5174.844.30000116.9
243I38.6Very low37.4Very low154 Ų154137.6 Ų137.679%0.7981%0.81SS**  77.3105.861.5-62.1160.6000114.3
244T36.3Very low37.4Very low138 Ų138138.1 Ų138.185%0.84780%0.803SS**  -176.8156.3124.920.60000111
245P60.2Low37.3Very low110 Ų110142.1 Ų142.171%0.71480%0.804SS**  trans-116.9161.9-171.640.9-31.3000115.3
246F35.4Very low37.2Very low207 Ų207142.9 Ų142.991%0.90880%0.804SS**  trans-152.2168.4150.8-120.3-81.4000113
247I35.4Very low37.1Very low156 Ų156138.4 Ų138.480%0.880%0.799SS**  trans-103.7138.7-161.1-56.7158.1000112.1
248A34.1Very low37.2Very low102 Ų102137.8 Ų137.884%0.84379%0.794SS**  trans-160.1156.7152.300000111.6
249A33.3Very low36.8Very low99 Ų99136.5 Ų136.582%0.81880%0.798SS**  trans-100167.7-168.300000115.6
250S35.1Very low36.9Very low114 Ų114137.7 Ų137.780%0.79780%0.795SS**  trans-41.6163.3155.2-54.90000114
251P49Very low36.9Very low128 Ų128134.3 Ų134.383%0.83179%0.792SS**  cis-145.6-176.134.843-22.4000118.8
252V41.7Very low37Very low132 Ų132138.2 Ų138.280%0.879%0.791SS**  trans-59.6150.1171.7173.20000112.3
253S35.5Very low37Very low118 Ų118141.5 Ų141.583%0.82580%0.798SS**  trans-135.5153.7157.5-166.30000111.1
254T33.8Very low37.2Very low102 Ų102139.4 Ų139.463%0.62679%0.794SS**  trans-125.1139.5-174.7-87.20000109.7
255Y34.8Very low37.1Very low223 Ų223142 Ų14288%0.87580%0.796SS**  trans-174.5110.1145.7-89.5-66.8000106
256Q33.1Very low35.8Very low149 Ų149145.4 Ų145.470%0.69680%0.803SS**  76.1121.183.6-79.7-80.5-62.800115.1
257V31.6Very low35.6Very low112 Ų112144.5 Ų144.568%0.67980%0.801SS**  trans62.4122.8149.2-178.30000115.6
258Q34.8Very low35.6Very low179 Ų179147.4 Ų147.484%0.83680%0.804SS**  -159.9155.956.6-149.2153.633.500111.7
259S32.2Very low35.6Very low119 Ų119149 Ų14983%0.83280%0.803SS**  trans-123.2133-180-54.60000111.9
260T36.7Very low35.5Very low124 Ų124152 Ų15276%0.76180%0.802SS**  trans-139.3118.9163.4-54.60000108.9
261S34.7Very low35.7Very low117 Ų117154.3 Ų154.382%0.81880%0.8SS**  trans-102.3152171.4-167.40000109.8
262W35Very low35.6Very low223 Ų223154.4 Ų154.485%0.84580%0.801SS**  trans-103119.3-176.2-80.791.8000112.5
263M35Very low35.2Very low165 Ų165154.5 Ų154.581%0.81380%0.802SS**  trans69.2158.5164.5-55-173.187.500114.5
264P43.6Very low35Very low110 Ų110152.3 Ų152.371%0.71480%0.798SS**  cis-121174.513.942.7-30.5000115.7
265H35.3Very low35Very low193 Ų193151.9 Ų151.989%0.89480%0.804SS**  trans-131.4133158.4-85.3-89.7000110.3
266Q32.5Very low34.7Very low181 Ų181147.8 Ų147.885%0.84680%0.802SS**  trans-107.4145.5164.5-82.4-76.64.600107.9
267Q31.6Very low34.8Very low188 Ų188148.2 Ų148.288%0.87981%0.808SS**  trans-95.7131.7172.8-71.3-167.8-9700110.7
268Y33.6Very low35Very low218 Ų218148.9 Ų148.986%0.85581%0.813SS**  trans-107.6130.3176.3-150.2-91.4000108.8
269V34Very low35.8Very low136 Ų136146 Ų14682%0.82481%0.809SS**  trans-131.3135.1171.2-179.10000107.8
270M31.7Very low35.7Very low162 Ų162144.2 Ų144.280%0.79880%0.802SS**  trans-105.3155.3-167.3-162.917070.900111.8
271Q39.5Very low35.7Very low161 Ų161146.7 Ų146.775%0.75281%0.807SS**  trans-65.7165.7175.4-64.1177.7-9.900112.6
272P47.4Very low35.4Very low130 Ų130147.3 Ų147.384%0.84480%0.801SS**  -132.2166115.638.4-32.1000114.7
273T32.2Very low35.8Very low134 Ų134144.1 Ų144.182%0.82280%0.795SS**  trans-110.3142.1-178.6-60.60000110.6
274G32.7Very low35.6Very low72 Ų72142.5 Ų142.574%0.74280%0.795SS**  trans158.778.2165.100000119.7
275A32.8Very low35.2Very low93 Ų93145.9 Ų145.977%0.76980%0.803SS**  trans20.8143.3142.800000124.6
276V29.5Very low35.3Very low137 Ų137141.3 Ų141.383%0.8379%0.793SS**  trans75.4138.4147.9165.10000115.9
277I34.6Very low35.3Very low158 Ų158141.5 Ų141.581%0.8180%0.796SS**  cis-136.5159.424.8-32.1153.1000112.3
278T35.7Very low35.6Very low127 Ų127141.1 Ų141.178%0.77979%0.794SS**  trans-74.2179.3162.9100000112.9
279P51.2Low36.4Very low117 Ų117136.2 Ų136.276%0.7679%0.789SS**  cis-152.3-174.534.545.2-23.2000120.6
280A29.8Very low36.4Very low83 Ų83134.3 Ų134.369%0.68679%0.788SS**  trans96151.4141.500000122.6
281M37.6Very low36.8Very low175 Ų175132.2 Ų132.286%0.86279%0.789SS**  trans73.9111.5176.8-52.1-177.4-176.900115.1
282D27.8Very low36.6Very low131 Ų131133.3 Ų133.370%0.70180%0.796SS**  cis78131.736.3-57.5-40.4000114.4
283H44.6Very low36Very low155 Ų155136.1 Ų136.172%0.71880%0.801SS**  cis-163.5171.57.2-116.614.5000111.4
284T30.1Very low36.5Very low131 Ų131133.1 Ų133.180%0.80480%0.796SS**  trans75.5154.4163.583.70000118.5
285M35.1Very low38.2Very low181 Ų181135.4 Ų135.489%0.89280%0.798SS**  cis-138.2175.12.2-124.5-136.6175.600112.5
286S36.7Very low38.4Very low98 Ų98138.7 Ų138.769%0.68580%0.802SS**  trans-111.7156.4-168.754.40000115.1
287M33.5Very low38.9Very low184 Ų184137.6 Ų137.691%0.90680%0.796SS**  trans-167143.6136.1-108.8-164.5-62.900114.3
288Q36.9Very low39.3Very low180 Ų180138 Ų13884%0.84179%0.794SS**  trans-126-173.5153.6-68.2-160.6-43.400105.8
289P51.7Low39.5Very low116 Ų116138.2 Ų138.275%0.75379%0.786SS**  cis-143.6-162.24.540.7-18.2000115.8
290A33Very low38.5Very low96 Ų96140 Ų14079%0.79379%0.786SS**  trans96156.6142.800000121.1
291S40.9Very low38.9Very low118 Ų118143.3 Ų143.383%0.82579%0.793SS**  trans-121.8159.5-163.5-270000111.6
292M33.8Very low38.8Very low183 Ų183141.9 Ų141.990%0.90178%0.783SS**  trans-167.3134.7152.341.1-160.8164.100115.5
293M35.5Very low39.5Very low190 Ų190143.1 Ų143.194%0.93679%0.789SS**  trans20139.3144.8-68.9171.7173.100122.7
294G43.4Very low39.1Very low70 Ų70140.7 Ų140.772%0.72279%0.789SS**  trans-98.6-154.1142.900000110.5
295P68.9Low39.8Very low121 Ų121142.6 Ų142.679%0.78679%0.794SS**  cis-125.9-173.6-6.342.8-28.4000112.8
296L37.2Very low39.8Very low162 Ų162137.8 Ų137.885%0.84879%0.791SS**  trans-170.1-173.5135.2-129.578000113.9
297T39.2Very low39.9Very low114 Ų114139.3 Ų139.370%0.69980%0.796SS**  trans-129.4-173.8-167.857.50000113
298Q43.7Very low40Very low165 Ų165137.6 Ų137.677%0.77180%0.796SS**  trans76.8154.2173.7-59.7-179.6-13.200115.6
299Q38.8Very low39.9Very low132 Ų132132.1 Ų132.162%0.61779%0.788SS**  cis-156.6164.7-3.4-130.7174.2-110.800113.4
300M30.5Very low39.1Very low154 Ų154132 Ų13276%0.75979%0.79SS**  trans48.9112.2149-78177.7-17700123.1
301N37.3Very low39.2Very low154 Ų154136.7 Ų136.782%0.82479%0.788SS**  43.9105.8101.7-173.640.1000120.4
302H35.8Very low38.9Very low145 Ų145138.6 Ų138.667%0.67179%0.786SS**  trans179.1127.3133.2171.6-120.4000112
303L42.7Very low38.8Very low156 Ų156136.4 Ų136.482%0.81778%0.783SS**  -179.3146129.5-100.2164.1000111.6
304S35.9Very low38.6Very low104 Ų104131.8 Ų131.873%0.72778%0.775SS**  trans-106.5169.1-166.6-64.20000114.3
305L46.4Very low38.2Very low172 Ų172132.6 Ų132.690%0.90178%0.775SS**  trans-53.6144.6171.7-70.2155.2000113.2
306G34.5Very low36.5Very low80 Ų80132 Ų13283%0.82578%0.78SS**  trans-118.8133.8166.100000110.8
307T38.7Very low36.3Very low130 Ų130128.8 Ų128.880%0.79878%0.777SS**  trans-126.2126.9-164.5-52.40000112.5
308T35.3Very low36Very low148 Ų148127.9 Ų127.991%0.90878%0.781SS**  trans-178.7147.1150.829.60000108.5
309G35.7Very low35.5Very low65 Ų65125.1 Ų125.167%0.6779%0.787SS**  cis153.5153.5-500000112.3
310S34.4Very low35.2Very low112 Ų112123.3 Ų123.378%0.78379%0.794SS**  trans68.6153.3173.5-70.10000117.9
311Y33.9Very low36.2Very low195 Ų195120.7 Ų120.777%0.76579%0.789SS**  cis-163.9-178.8-22.350.9-161.5000111.7
312M35.4Very low36.2Very low158 Ų158121.1 Ų121.178%0.77879%0.788SS**  trans81.3114.9179.7-56.7-169.8-75.500115.3
313T31.1Very low36.1Very low138 Ų138122.7 Ų122.785%0.84780%0.795SS**  cis77.1125.630.1-48.60000113
314A31.9Very low35.6Very low93 Ų93118.5 Ų118.577%0.76979%0.79SS**  cis-166.1-163.3-1800000106.9
315A34.5Very low35.3Very low87 Ų87120.1 Ų120.172%0.71980%0.796SS**  cis-162.9164.82.900000110.2
316A33.3Very low34.6Very low107 Ų107121.6 Ų121.688%0.88479%0.791SS**  trans60.6145.7153.100000119.5
317A33.6Very low34.9Very low96 Ų96124.8 Ų124.879%0.79379%0.787SS**  cis-158.1179.6-13.200000106.9
318A33Very low35.2Very low95 Ų95123.1 Ų123.179%0.78578%0.779SS**  cis-159.4179.317.800000112.3
319A33.4Very low35Very low107 Ų107124.6 Ų124.688%0.88478%0.775SS**  trans74.1145.3164.900000119.2
320A32.5Very low34.8Very low93 Ų93132.5 Ų132.577%0.76979%0.787SS**  trans-148.9-168.1-178.100000106.4
321P51Low35Very low100 Ų100133.3 Ų133.365%0.64979%0.787SS**  cis-144.8-176.12.446-27.7000116.9
322M37.2Very low35.2Very low163 Ų163129.8 Ų129.880%0.80379%0.788SS**  trans67.5141.8154-70.8-51.6142.700119.3
323Q33.4Very low35.5Very low177 Ų177129.1 Ų129.183%0.82779%0.793SS**  cis-134.5158.1-10.2-53.9-166.4-47.500108.1
324G31.6Very low36Very low69 Ų69127.8 Ų127.871%0.71179%0.786SS**  79.9135.17900000113.2
325T31.5Very low36.3Very low137 Ų137129.6 Ų129.684%0.8479%0.79SS**  cis-164.5153.20.2-57.40000110.5
326Y30Very low36.3Very low203 Ų203132.1 Ų132.180%0.79680%0.797SS**  trans84.8146.6158.5-137-111.9000122P328Y326-P328 HydrophobicContact CE1-CG 4.08Å
327I42.3Very low36.3Very low147 Ų147131.4 Ų131.475%0.75479%0.791SS**  trans-147.9143.4169-33.9176.1000107.4
328P44.4Very low36.7Very low96 Ų96133.2 Ų133.262%0.62379%0.792SS**  -133.9139.5115.3129.8000111.2Y326Y326-P328 HydrophobicContact CE1-CG 4.08Å
329Q31.8Very low36.9Very low178 Ų178134.5 Ų134.583%0.83279%0.792SS**  68.6110.369.3-162.9175.29.100113.4
330Y30.8Very low37Very low231 Ų231135.9 Ų135.991%0.90679%0.789SS**  trans-85.8151.3179.8-83.1-100.4000112.9
331T38.3Very low36.9Very low130 Ų130140.6 Ų140.680%0.79880%0.795SS**  trans-130.9154.516626.50000110.7
332P38.9Very low35.9Very low121 Ų121139.5 Ų139.579%0.78680%0.802SS**PPolyproline II helixtrans-85159.5-166.733.6-36.7000114.7
333V40.4Very low35.6Very low144 Ų144137.7 Ų137.787%0.87380%0.8SS**PPolyproline II helixtrans-95.1133.4-179.5-78.20000113.6
334P41.4Very low35.5Very low109 Ų109135.7 Ų135.771%0.70880%0.8SS**PPolyproline II helixtrans-91.1162.1156.635.9-31.2000111.5
335P39.4Very low35.6Very low132 Ų132138 Ų13886%0.85780%0.8SS**PPolyproline II helixtrans-78.6141.8-173.330.8-35.5000114.3
336T34.8Very low35.6Very low140 Ų140138.7 Ų138.786%0.85980%0.799SS**PPolyproline II helixtrans-80.7126.8179.3-50.50000112.4
337A32.7Very low35.7Very low91 Ų91133 Ų13375%0.75279%0.793SS**PPolyproline II helixtrans-88140.1161.900000110.4
338V40.8Very low35.2Very low134 Ų134131.5 Ų131.581%0.81280%0.796SS**PPolyproline II helixtrans-87.4128177.5-840000111.7
339P39Very low35.4Very low122 Ų122132 Ų13279%0.79280%0.799SS**PPolyproline II helixtrans-86.1150.616534.7-32.3000111.1
340V35Very low35.3Very low137 Ų137132 Ų13283%0.8380%0.799SS**  trans-136.2121.2169.7175.40000108.3
341E29.6Very low35.5Very low191 Ų191126.8 Ų126.889%0.89379%0.792SS**  trans-138.4146.5160.7-74.8-155.812500109.9
342G31.5Very low35.2Very low77 Ų77127 Ų12779%0.79479%0.793SS**  trans178.574.7-172.400000110.5
343V29.4Very low34.7Very low126 Ų126125.2 Ų125.276%0.76479%0.788SS**  trans-74.2137-166.1173.70000113.7
344V32.7Very low34.8Very low135 Ų135124.3 Ų124.382%0.81879%0.785SS**  trans-137.2148.1144.9-174.40000109
345T33.7Very low34.3Very low118 Ų118124.3 Ų124.372%0.72479%0.788SS**  trans-65.8169-179.153.80000113.3
346D30.6Very low34Very low151 Ų151124 Ų12481%0.80779%0.788SS**  cis-159.8179.528.7-169.3-144.5000113.5
347A31.9Very low33.9Very low82 Ų82124.9 Ų124.968%0.67878%0.783SS**  trans79.5101.6157.700000120.2
348S32.8Very low33.8Very low117 Ų117128 Ų12882%0.81878%0.782SS**  trans-81.3-177.8160.2-60.80000110.9
349P48.3Very low33.4Very low105 Ų105128.1 Ų128.168%0.68278%0.783SS**  cis-146.7-170.312.646-26.3000117.9
350Q30.4Very low33.1Very low178 Ų178127.1 Ų127.183%0.83279%0.785SS**  trans75138.6159.1-69.2-176.717.700117.7
351T33.3Very low32.8Very low122 Ų122123.9 Ų123.975%0.74878%0.779SS**  cis-150.4164.9-6.8-86.80000110.9
352V32.9Very low32.9Very low135 Ų135123 Ų12382%0.81878%0.775SS**  trans-55.8157.4-175-174.50000115.8
353A28.8Very low32.7Very low84 Ų84126.9 Ų126.969%0.69477%0.772SS**  trans-62.5-172.4171.500000113.9
354P42.6Very low32.7Very low125 Ų125128.2 Ų128.281%0.81277%0.77SS**  cis-144.1-169.229.244-22.2000117.6
355S30.1Very low32.6Very low109 Ų109129 Ų12976%0.76277%0.765SS**  trans-63.4159.1177.1-37.40000115.5
356S33.3Very low32.5Very low124 Ų124130.1 Ų130.187%0.86777%0.765SS**  -174.7169.2120.5-830000114.9
357Q33.5Very low32.5Very low160 Ų160131.3 Ų131.375%0.74877%0.766SS**  trans-75.6160.4-168.9-82155.4-112.500117.8
358E30.4Very low32.7Very low157 Ų157133.1 Ų133.173%0.73477%0.768SS**  trans62.2139.2141.9-72169.377.300122.8
359V32.3Very low32.5Very low135 Ų135134.9 Ų134.982%0.81877%0.768SS**  169.3129.3107.8156.20000112
360A32.6Very low31.8Very low102 Ų102134.8 Ų134.884%0.84377%0.77SS**  trans53163.3158.200000121.1
361G29.3Very low32Very low68 Ų68131.1 Ų131.170%0.70177%0.77SS**  cis152.3157.2-14.800000115.6
362Q30Very low32Very low173 Ų173132.4 Ų132.481%0.80877%0.773SS**  trans98124.6163.3-56.4-169.1-0.500122.2
363Q27.8Very low32.1Very low158 Ų158134.3 Ų134.374%0.73877%0.772SS**  trans65.8155.5144.7-62.5174.321.200118.9
364Q30.5Very low32.5Very low155 Ų155136.4 Ų136.472%0.72478%0.776SS**  cis-153.2122.712.8-142.5165.6-9.300109.4
365Q29.4Very low32.9Very low150 Ų150135.3 Ų135.370%0.70177%0.769SS**  94.8101.196.9-170.2173.8-5.600119.2
366I32.5Very low33Very low143 Ų143133.9 Ų133.973%0.73376%0.764SS**  trans48.7124.5136.3-48.5170.9000122.1
367Q29.5Very low33Very low175 Ų175138.7 Ų138.782%0.81877%0.765SS**  156.9102.7117-158.5161.8-17.400111
368V35.3Very low33Very low120 Ų120136.3 Ų136.373%0.72777%0.766SS**  58.3114.187-177.70000115.9
369D29.3Very low33.2Very low154 Ų154138.7 Ų138.782%0.82477%0.769SS**  -158.7-179.4128.3-147.4-96.2000111.8
370S34.3Very low33.6Very low103 Ų103140.7 Ų140.772%0.7277%0.77SS**  trans-139153-164.7-53.20000113.9
371A33.7Very low33.7Very low101 Ų101141.1 Ų141.184%0.83577%0.767SS**  trans-167.9145.7154.400000113.8
372D34Very low34.5Very low150 Ų150147.1 Ų147.180%0.80277%0.773SS**  trans-73.8153.3170.7-50.9-110.4000113.7
373H34.2Very low35.2Very low174 Ų174148.3 Ų148.381%0.80678%0.776SS**  -172.3148.9109.5-128.955000115.7
374V38.6Very low36.3Very low129 Ų129155.7 Ų155.778%0.78280%0.799SS**  trans-150.8129170.6-179.20000104.6
375P49.3Very low36.6Very low102 Ų102155.8 Ų155.866%0.66280%0.803SS**  -163.1149.680.841.8-19.1000121.7
376A33.2Very low36.9Very low78 Ų78156.1 Ų156.165%0.64581%0.808SS**  65.9159.6126.800000125.7
377Y33.1Very low37.2Very low226 Ų226156.8 Ų156.889%0.88681%0.812SS**  trans73.1153.7168.6-65.4-74.2000117.7
378S33.8Very low37.6Very low110 Ų110155.7 Ų155.777%0.76981%0.812SS**  cis-141.7165.41762.20000116
379Y34.6Very low37.8Very low207 Ų207157.9 Ų157.981%0.81282%0.817SS**  trans-74.5157.5167.2-97.1-113000111.8
380Q39.8Very low38.3Very low177 Ų177158.2 Ų158.283%0.82782%0.817SS**  trans-142.6109.9155-137.8-177.151.300113.2
381S35.1Very low38.6Very low111 Ų111162.1 Ų162.178%0.77682%0.824SS**  trans-91.7142.6168.5-61.30000110.1
382K46Very low39Very low193 Ų193166.8 Ų166.884%0.83982%0.823SS**  trans-108.8126.9169.1-75.9-177.9176.4177.20111
383K45.1Very low39.4Very low199 Ų199168.3 Ų168.387%0.86583%0.825SS**  trans-124.7142.2154.6-83.7-166.7175.3-171.70107.8
384Y50.5Low39.9Very low313 Ų313167.7 Ų167.7100%1.22783%0.826SS**  trans-144.10136.6-99.9-75.5000107

Retrieved 384 of 384 residues in 363.3 ms (Link to these results)