A0A3P8TK94_AMPPE Loading...

Transcription elongation factor 1 homolog

Factor involved in transcription-coupled nucleotide excision repair (TC-NER), a mechanism that rapidly removes RNA polymerase II-blocking lesions from the transcribed strand of active genes. Acts as a key adapter required to anchor TC-NER factors to RNA polymerase II: stably positions UVSSA and the DCX(ERCC8) complex (also named CSA complex) on arrested RNA polymerase II, leading to neddylation and activation of the DCX(ERCC8) complex and ubiquitination of RNA polymerase II.

AlphaFold DB , UniProt , Accession A0A3P8TK94, Species AMPPE (Amphiprion percula, Orange clownfish), Gene n/a, Length 83 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
1M47Very low62.3Low246 Ų246181.2 Ų181.2100%1.21287%0.871SS**  0119.90-71.7-70.5-93.800108.8
2G52.6Low62.9Low73 Ų73176.5 Ų176.575%0.75387%0.866SS**  trans-71.5146-149.600000118.4R4G2-R4 PolarHBondContact O-N 3.13Å
3R58.5Low63.3Low253 Ų253178.2 Ų178.296%0.95587%0.866SS**  trans-61.5108.3168.2-82.1174.7156.3-163.8-5.6110K5R3-K5 PolarHBondContact O-N 3.2Å; R3-K5 VanDerWaalsContact O-N 3.13Å
4R62.1Low63.4Low246 Ų246180 Ų18093%0.92887%0.867SS**  trans-70.6104.4172.3-67.7-179.4-178.9-177.5-0109G2 S6G2-R4 PolarHBondContact O-N 3.13Å; R4-S6 PolarHBondContact O-N 3.32Å
5K60.2Low63.2Low202 Ų202181.5 Ų181.588%0.87887%0.868SS**  trans-61.3119.8168.2-82.1179.8175.2176.50108.3R3 K7R3-K5 PolarHBondContact O-N 3.2Å; R3-K5 VanDerWaalsContact O-N 3.13Å; K5-K7 PolarHBondContact O-N 3.28Å
6S63.9Low63Low104 Ų104180.9 Ų180.973%0.72787%0.867SS**  trans-59.6126171.353.10000109.2R4 R8R4-S6 PolarHBondContact O-N 3.32Å; S6-R8 VanDerWaalsContact C-N 3.27Å; S6-R8 PolarHBondContact O-N 3.23Å
7K64.1Low62.5Low214 Ų214178.4 Ų178.493%0.9387%0.866SS**  trans-69.185.3173.2-112.4177.9178-179.60107.9K5 K9K5-K7 PolarHBondContact O-N 3.28Å; K7-K9 PolarHBondContact O-N 2.87Å
8R66.8Low62.1Low232 Ų232171.4 Ų171.488%0.87585%0.848SS**PPolyproline II helixtrans-62.5117.9168.2-102.9-178.8173.1-178.3-2.2107.7S6S6-R8 VanDerWaalsContact C-N 3.27Å; S6-R8 PolarHBondContact O-N 3.23Å
9K67.9Low61.9Low196 Ų196170.7 Ų170.785%0.85285%0.848SS**PPolyproline II helixtrans-61.5132171.5-66.8-178.5-179.6179.40107.8K7K7-K9 PolarHBondContact O-N 2.87Å
10P70.2Confident61.8Low113 Ų113169 Ų16973%0.73484%0.841SS**PPolyproline II helixtrans-59.6145.2176.222.7-30000109.8
11P71.9Confident61.9Low114 Ų114166 Ų16674%0.7483%0.828SS**PPolyproline II helixtrans-57.1139.9177.622.4-30.8000109.7K13P11-K13 PolarHBondContact O-N 3.21Å
12P69.6Low63.1Low125 Ų125157.8 Ų157.881%0.81279%0.792SS**PPolyproline II helixtrans-56.1127.7177.423.1-31.4000108.5K14P12-K14 PolarHBondContact O-N 3.07Å; P12-K14 VanDerWaalsContact O-N 3.07Å
13K68.7Low64.5Low199 Ų199158.6 Ų158.687%0.86578%0.776SS**PPolyproline II helixtrans-54.9120.3175.5-66.3-173.8179.7-176.80107P11 K15P11-K13 PolarHBondContact O-N 3.21Å; K13-K15 PolarHBondContact O-N 3.03Å
14K64.6Low66.1Low203 Ų203147.9 Ų147.988%0.88374%0.736SS**PPolyproline II helixtrans-48118.9169.7-113-179.9177.9-177.80106.1P12 M16P12-K14 PolarHBondContact O-N 3.07Å; P12-K14 VanDerWaalsContact O-N 3.07Å; K14-M16 VanDerWaalsContact C-N 3.28Å; K14-M16 PolarHBondContact O-N 2.87Å
15K60.4Low67.6Low202 Ų202138.6 Ų138.688%0.87871%0.707SS**  trans-60.7104.8167-69.7-172.3179-174.70104.3K13 T17K13-K15 PolarHBondContact O-N 3.03Å; K15-T17 VanDerWaalsContact C-N 3.29Å; K15-T17 PolarHBondContact O-N 2.93Å
16M58.8Low69.3Low173 Ų173129 Ų12985%0.85267%0.665SS**  trans-60.2103.9169.9-158.215877.600103.3K14 G18K14-M16 VanDerWaalsContact C-N 3.28Å; K14-M16 PolarHBondContact O-N 2.87Å; M16-G18 PolarHBondContact O-N 2.8Å
17T55.8Low70.7Confident138 Ų138126.3 Ų126.385%0.84765%0.645SS**  trans-53.998.5161.67.20000103.5K15K15-T17 VanDerWaalsContact C-N 3.29Å; K15-T17 PolarHBondContact O-N 2.93Å
18G55.6Low72.1Confident52 Ų52121.3 Ų121.354%0.53662%0.624SS.*  trans-57.1153.3-174.100000109M16 L20M16-G18 PolarHBondContact O-N 2.8Å; G18-L20 PolarHBondContact O-N 3.22Å
19N57.8Low73.5Confident158 Ų158112 Ų11285%0.84559%0.594SS**  trans-43.6130169.6-58.6-30.3000108.3D21N19-D21 PolarHBondContact O-N 3.27Å
20L60.2Low74.6Confident137 Ų137108.6 Ų108.672%0.71759%0.585SS**  trans-52.8131.1175.8-67.7169000107.9G18 T22G18-L20 PolarHBondContact O-N 3.22Å; L20-T22 PolarHBondContact O-N 3.13Å; L20-T22 VanDerWaalsContact O-N 3.13Å
21D63.3Low75.8Confident106 Ų106108.3 Ų108.357%0.56757%0.574SS**  trans-55.3121.6178.6-94.2-4.7000107.9N19 Q23 K33N19-D21 PolarHBondContact O-N 3.27Å; D21-Q23 PolarHBondContact O-N 2.75Å; D21-K33 IonicContact OD2-NZ 2.82Å; D21-K33 PolarHBondContact OD2-NZ 3.49Å
22T71.4Confident76.7Confident73 Ų73110.3 Ų110.345%0.44857%0.573SS.*  trans-85.513.3177.354.10000112.3L20 P67L20-T22 PolarHBondContact O-N 3.13Å; L20-T22 VanDerWaalsContact O-N 3.13Å; T22-P67 HydrophobicContact CG2-CG 4.44Å
23Q83.4Confident77.7Confident90 Ų90109.6 Ų109.642%0.42156%0.557SS.*EExtended strand (participates in β ladder)trans-110.3118.6-173.6-67.3177.816.700109.4D21 K33D21-Q23 PolarHBondContact O-N 2.75Å; Q23-K33 HydrophobicContact CB-CB 3.81Å; Q23-K33 HydrophobicContact CB-CD 4.43Å; Q23-K33 HydrophobicContact CB-CG 4Å
24F91.9Very high78.9Confident28 Ų28100.3 Ų100.312%0.12352%0.518CS..EExtended strand (participates in β ladder)trans-112.6162.1-176-54.8-85.1000111.6K33 S34 C35 V37 P67 V68 Y71F24-K33 CarbonylContact O-C 3.6Å; F24-K33 WeakPolarHBondContact O-CA 3.37Å; F24-K33 PolarHBondContact O-N 3.37Å; F24-S34 PolarHBondContact O-N 2.81Å; F24-C35 HydrophobicContact CB-CB 4.15Å; F24-C35 PolarHBondContact N-O 2.89Å; F24-C35 PolarHBondContact O-N 3.36Å; F24-C35 VanDerWaalsContact O-N 3.14Å; F24-V37 HydrophobicContact CD2-CG2 3.84Å; F24-V37 HydrophobicContact CE2-CG2 3.66Å; F24-P67 HydrophobicContact CE2-CB 4.08Å; F24-P67 HydrophobicContact CZ-CB 4.17Å; F24-V68 HydrophobicContact CE1-CB 4.2Å; F24-V68 HydrophobicContact CE1-CG2 4.27Å; F24-V68 HydrophobicContact CZ-CB 4.23Å; F24-Y71 HydrophobicContact CB-CD1 4.39Å; F24-Y71 HydrophobicContact CB-CD2 3.46Å; F24-Y71 VanDerWaalsContact CB-CD2 3.46Å; F24-Y71 HydrophobicContact CB-CE2 3.63Å; F24-Y71 HydrophobicContact CB-CG 3.86Å; F24-Y71 AromaticContact CD1-CD1 3.75Å; F24-Y71 HydrophobicContact CD1-CD1 3.75Å; F24-Y71 HydrophobicContact CD1-CD2 4.18Å; F24-Y71 HydrophobicContact CD1-CE1 4.34Å; F24-Y71 AromaticContact CD1-CG 3.65Å; F24-Y71 HydrophobicContact CD1-CG 3.65Å; F24-Y71 HydrophobicContact CD2-CD2 4.47Å; F24-Y71 HydrophobicContact CD2-CG 4.38Å; F24-Y71 HydrophobicContact CE1-CD1 4.38Å; F24-Y71 HydrophobicContact CE1-CG 4.3Å; F24-Y71 HydrophobicContact CG-CD1 4.23Å; F24-Y71 AromaticContact CG-CD2 3.8Å; F24-Y71 HydrophobicContact CG-CD2 3.8Å; F24-Y71 HydrophobicContact CG-CE2 4.39Å; F24-Y71 AromaticContact CG-CG 3.7Å; F24-Y71 HydrophobicContact CG-CG 3.7Å
25T93.8Very high80.4Confident51 Ų5190.7 Ų90.731%0.31348%0.476SS..  trans-82.1137.3174.8-600000109.7Y71T25-Y71 WeakPolarHBondContact O-CE2 3.27Å; T25-Y71 PolarHBondContact O-OH 3.38Å
26C95Very high81.9Confident0 Ų085.1 Ų85.10%046%0.456CS..  trans-77.2131178.5-176.10000111.7F28 N30 H31 C35 C50C26-F28 PolarHBondContact O-N 3.41Å; C26-F28 PolarHBondContact SG-N 3.27Å; C26-F28 VanDerWaalsContact SG-N 3.4Å; C26-N30 WeakPolarHBondContact O-CA 3.22Å; C26-N30 PolarHBondContact O-N 3.48Å; C26-H31 PolarHBondContact N-O 3.36Å; C26-C35 WeakPolarHBondContact CA-SG 3.4Å; C26-C35 WeakPolarHBondContact CB-SG 3.11Å; C26-C50 HydrophobicContact CB-CB 4.27Å
27P93.6Very high83.7Confident48 Ų4878.2 Ų78.231%0.31242%0.423SS..THydrogen-bonded Turntrans-70.8-15.7175.828.4-34.4000113.8W74 I75P27-W74 HydrophobicContact CG-CD2 4.34Å; P27-W74 HydrophobicContact CG-CE3 4.3Å; P27-W74 HydrophobicContact CG-CH2 4.49Å; P27-W74 HydrophobicContact CG-CZ2 4.45Å; P27-W74 HydrophobicContact CG-CZ3 4.4Å; P27-I75 HydrophobicContact CB-CD1 3.66Å; P27-I75 HydrophobicContact CG-CD1 3.8Å
28F93.1Very high85.5Confident109 Ų10977.9 Ų77.948%0.47841%0.41SS..THydrogen-bonded Turntrans-92.6-53.1-177.9-62.7-88000112.7C26 E55 W74 C78C26-F28 PolarHBondContact O-N 3.41Å; C26-F28 PolarHBondContact SG-N 3.27Å; C26-F28 VanDerWaalsContact SG-N 3.4Å; F28-E55 HydrophobicContact CD2-CB 4.16Å; F28-E55 HydrophobicContact CD2-CG 3.84Å; F28-E55 HydrophobicContact CE2-CB 4.41Å; F28-E55 HydrophobicContact CE2-CG 3.62Å; F28-E55 HydrophobicContact CG-CG 4.41Å; F28-E55 HydrophobicContact CZ-CG 3.96Å; F28-W74 HydrophobicContact CD2-CH2 4.39Å; F28-W74 AromaticContact CD2-CZ2 3.82Å; F28-W74 HydrophobicContact CD2-CZ2 3.82Å; F28-W74 AromaticContact CE2-CE2 3.72Å; F28-W74 HydrophobicContact CE2-CH2 4.45Å; F28-W74 AromaticContact CE2-CZ2 3.5Å; F28-W74 HydrophobicContact CE2-CZ2 3.5Å; F28-W74 VanDerWaalsContact CE2-CZ2 3.5Å; F28-W74 AromaticContact CE2-NE1 3.69Å; F28-C78 WeakPolarHBondContact CZ-SG 3.17Å
29C95.4Very high87.4Confident37 Ų3777.5 Ų77.525%0.2540%0.395CS..THydrogen-bonded Turntrans-104.4-0.7-176.371.60000114H31 C50 C53C29-H31 PolarHBondContact O-CD2 3.11Å; C29-H31 PolarHBondContact O-N 2.82Å; C29-C50 VanDerWaalsContact SG-SG 3.64Å; C29-C53 HydrophobicContact CB-CB 3.81Å
30N92.9Very high89.2Confident125 Ų12572.2 Ų72.267%0.66837%0.365SS*.  trans58.712.7173.7-123.583.9000116C26 E32C26-N30 WeakPolarHBondContact O-CA 3.22Å; C26-N30 PolarHBondContact O-N 3.48Å; N30-E32 PolarHBondContact O-N 3.19Å
31H93.5Very high90.8Very high106 Ų10671 Ų7149%0.49135%0.351SS..  trans-73.8123.5174.3-84.1-92000109.7C26 C29 S34 V52C26-H31 PolarHBondContact N-O 3.36Å; C29-H31 PolarHBondContact O-CD2 3.11Å; C29-H31 PolarHBondContact O-N 2.82Å; H31-S34 WeakPolarHBondContact O-CB 3.34Å; H31-S34 PolarHBondContact O-OG 3.38Å; H31-V52 HydrophobicContact CB-CG2 4.03Å
32E92.7Very high92.3Very high156 Ų15671.9 Ų71.973%0.72936%0.36SS*.THydrogen-bonded Turntrans-64.4145175.9-62.7-175.8175.900111.1N30 S34N30-E32 PolarHBondContact O-N 3.19Å; E32-S34 PolarHBondContact O-N 3.14Å
33K90.6Very high93.5Very high110 Ų11076 Ų7648%0.47837%0.368SS..THydrogen-bonded Turntrans53.530.5174-62.2-167.1-179.3-148.90114.2D21 Q23 F24D21-K33 IonicContact OD2-NZ 2.82Å; D21-K33 PolarHBondContact OD2-NZ 3.49Å; Q23-K33 HydrophobicContact CB-CB 3.81Å; Q23-K33 HydrophobicContact CB-CD 4.43Å; Q23-K33 HydrophobicContact CB-CG 4Å; F24-K33 CarbonylContact O-C 3.6Å; F24-K33 WeakPolarHBondContact O-CA 3.37Å; F24-K33 PolarHBondContact O-N 3.37Å
34S93.4Very high94.1Very high5 Ų576 Ų764%0.03537%0.37CS..  trans-99.6-11.7-175.861.70000113.3F24 H31 E32 C50 S51F24-S34 PolarHBondContact O-N 2.81Å; H31-S34 WeakPolarHBondContact O-CB 3.34Å; H31-S34 PolarHBondContact O-OG 3.38Å; E32-S34 PolarHBondContact O-N 3.14Å; S34-C50 PolarHBondContact OG-SG 3.24Å; S34-S51 PolarHBondContact O-N 2.96Å; S34-S51 PolarHBondContact O-OG 3.14Å
35C94.9Very high94.4Very high0 Ų075.9 Ų75.90%037%0.372CS..EExtended strand (participates in β ladder)trans-102.2127-177.6-58.90000111.9F24 C26 I48 S49 W74F24-C35 HydrophobicContact CB-CB 4.15Å; F24-C35 PolarHBondContact N-O 2.89Å; F24-C35 PolarHBondContact O-N 3.36Å; F24-C35 VanDerWaalsContact O-N 3.14Å; C26-C35 WeakPolarHBondContact CA-SG 3.4Å; C26-C35 WeakPolarHBondContact CB-SG 3.11Å; C35-I48 HydrophobicContact CB-CD1 4.04Å; C35-I48 HydrophobicContact CB-CG1 4.11Å; C35-S49 CarbonylContact C-O 3.53Å; C35-S49 VanDerWaalsContact CA-O 3.27Å; C35-S49 WeakPolarHBondContact CA-O 3.29Å; C35-W74 HydrophobicContact CB-CZ3 4.28Å
36D93.7Very high94.5Very high86 Ų8673.5 Ų73.546%0.4636%0.357SS..EExtended strand (participates in β ladder)trans-106.8142.3175.2-75-73.1000110.4I48 S49D36-I48 WeakPolarHBondContact O-CA 3.37Å; D36-S49 PolarHBondContact N-O 3.09Å; D36-S49 PolarHBondContact O-N 3.35Å
37V94.7Very high94.6Very high28 Ų2874.5 Ų74.517%0.1736%0.363CS..EExtended strand (participates in β ladder)trans-115.5126.2179.6-177.80000110.8F24 M39 I47 I48 P67 V70F24-V37 HydrophobicContact CD2-CG2 3.84Å; F24-V37 HydrophobicContact CE2-CG2 3.66Å; V37-M39 HydrophobicContact CG1-CG 4.36Å; V37-M39 HydrophobicContact CG1-SD 3.9Å; V37-I47 CarbonylContact C-O 3.57Å; V37-I47 WeakPolarHBondContact CA-O 3.36Å; V37-I48 HydrophobicContact CG2-CB 4.13Å; V37-I48 HydrophobicContact CG2-CD1 3.77Å; V37-I48 HydrophobicContact CG2-CG1 3.94Å; V37-P67 HydrophobicContact CB-CB 4.01Å; V37-P67 HydrophobicContact CG1-CB 3.99Å; V37-P67 HydrophobicContact CG2-CB 4.32Å; V37-V70 HydrophobicContact CG1-CB 3.99Å; V37-V70 HydrophobicContact CG1-CG1 4Å; V37-V70 HydrophobicContact CG1-CG2 4.18Å
38K94.7Very high94.7Very high131 Ų13172.2 Ų72.257%0.5735%0.348SS*.EExtended strand (participates in β ladder)trans-107.8116173.4-174.4-178178.6-171.20110.1I47K38-I47 HydrophobicContact CB-CB 4.39Å; K38-I47 PolarHBondContact N-O 2.98Å; K38-I47 PolarHBondContact O-N 3.39Å
39M95Very high94.9Very high43 Ų4369.2 Ų69.221%0.21234%0.34CS..EExtended strand (participates in β ladder)trans-93.896178.2-60-64.6-87.200110.8V37 R41 I61 S65 P67 V70V37-M39 HydrophobicContact CG1-CG 4.36Å; V37-M39 HydrophobicContact CG1-SD 3.9Å; M39-R41 PolarHBondContact O-N 2.74Å; M39-R41 VanDerWaalsContact O-N 3.15Å; M39-I61 HydrophobicContact CB-CD1 4.12Å; M39-I61 HydrophobicContact CE-CB 4.29Å; M39-I61 HydrophobicContact CE-CD1 3.66Å; M39-I61 HydrophobicContact CE-CG2 4.05Å; M39-I61 HydrophobicContact SD-CD1 3.93Å; M39-I61 HydrophobicContact SD-CG2 4.39Å; M39-S65 WeakPolarHBondContact CE-O 3.42Å; M39-P67 HydrophobicContact CG-CG 4.32Å; M39-V70 HydrophobicContact CE-CG2 4.23Å; M39-V70 HydrophobicContact SD-CG2 3.64Å
40E95.5Very high94.9Very high48 Ų4867.6 Ų67.622%0.22433%0.329CS..EExtended strand (participates in β ladder)trans-86.578.8177.2-166.6165.4-141.300110.9T42 R43 N44 T45E40-T42 PolarHBondContact O-N 3.23Å; E40-R43 HydrophobicContact CG-CB 4.09Å; E40-R43 HydrophobicContact CG-CG 4.25Å; E40-R43 PolarHBondContact O-N 2.76Å; E40-R43 VanDerWaalsContact O-N 3.12Å; E40-R43 WeakPolarHBondContact OE2-CD 3.48Å; E40-R43 IonicContact OE2-CZ 3.8Å; E40-R43 IonicContact OE2-NE 3.96Å; E40-R43 IonicContact OE2-NH1 2.91Å; E40-R43 PolarHBondContact OE2-NH1 2.83Å; E40-N44 PolarHBondContact O-N 3.07Å; E40-T45 WeakPolarHBondContact CA-O 3.45Å; E40-T45 WeakPolarHBondContact CB-O 3.4Å; E40-T45 PolarHBondContact N-O 3.26Å; E40-T45 PolarHBondContact O-N 3.45Å; E40-T45 VanDerWaalsContact O-N 3.14Å
41R94.3Very high95Very high111 Ų11165.4 Ų65.442%0.41932%0.324SS..THydrogen-bonded Turntrans-62.5-26.4-175.2-59.6-66.9-176.1142.48.5114.1M39 R43 N44 T62 Y63 S65M39-R41 PolarHBondContact O-N 2.74Å; M39-R41 VanDerWaalsContact O-N 3.15Å; R41-R43 VanDerWaalsContact C-N 3.28Å; R41-R43 PolarHBondContact O-N 3.06Å; R41-N44 PolarHBondContact O-N 3.3Å; R41-T62 PolarHBondContact NH1-O 3.1Å; R41-Y63 VanDerWaalsContact NH1-CA 3.29Å; R41-Y63 PolarHBondContact NH1-O 2.92Å; R41-S65 VanDerWaalsContact CZ-O 3.28Å; R41-S65 PolarHBondContact NH1-O 3.14Å; R41-S65 PolarHBondContact NH2-O 3.28Å
42T95.6Very high95.1Very high124 Ų12463.8 Ų63.876%0.76132%0.321SS*.THydrogen-bonded Turntrans-68.3-27.8176.949.10000112.9E40E40-T42 PolarHBondContact O-N 3.23Å
43R95.5Very high95.3Very high161 Ų16158.8 Ų58.861%0.60830%0.303SS*.THydrogen-bonded Turntrans-109.52.5179.7-65.4178.363.5-145.27.1112.5E40 R41 T45E40-R43 HydrophobicContact CG-CB 4.09Å; E40-R43 HydrophobicContact CG-CG 4.25Å; E40-R43 PolarHBondContact O-N 2.76Å; E40-R43 VanDerWaalsContact O-N 3.12Å; E40-R43 WeakPolarHBondContact OE2-CD 3.48Å; E40-R43 IonicContact OE2-CZ 3.8Å; E40-R43 IonicContact OE2-NE 3.96Å; E40-R43 IonicContact OE2-NH1 2.91Å; E40-R43 PolarHBondContact OE2-NH1 2.83Å; R41-R43 VanDerWaalsContact C-N 3.28Å; R41-R43 PolarHBondContact O-N 3.06Å; R43-T45 PolarHBondContact O-N 3.14Å; R43-T45 PolarHBondContact O-OG1 3Å; R43-T45 VanDerWaalsContact O-OG1 3.09Å
44N96.7Very high95.5Very high88 Ų8860.4 Ų60.447%0.47132%0.316SS..THydrogen-bonded Turntrans51.841.1-174.6-70.391.8000111.8E40 R41 P60 I61E40-N44 PolarHBondContact O-N 3.07Å; R41-N44 PolarHBondContact O-N 3.3Å; N44-P60 CarbonylContact O-C 3.59Å; N44-P60 WeakPolarHBondContact O-CA 3.34Å; N44-I61 VanDerWaalsContact C-CG1 3.43Å; N44-I61 WeakPolarHBondContact CB-O 3.48Å; N44-I61 PolarHBondContact ND2-O 3.38Å; N44-I61 VanDerWaalsContact ND2-O 3.07Å; N44-I61 PolarHBondContact O-N 2.93Å
45T97.8Very high95.6Very high27 Ų2764.2 Ų64.217%0.16633%0.333CS..EExtended strand (participates in β ladder)trans-125.2128.8-179.1-47.90000111E40 R43 I47 Q58 I61E40-T45 WeakPolarHBondContact CA-O 3.45Å; E40-T45 WeakPolarHBondContact CB-O 3.4Å; E40-T45 PolarHBondContact N-O 3.26Å; E40-T45 PolarHBondContact O-N 3.45Å; E40-T45 VanDerWaalsContact O-N 3.14Å; R43-T45 PolarHBondContact O-N 3.14Å; R43-T45 PolarHBondContact O-OG1 3Å; R43-T45 VanDerWaalsContact O-OG1 3.09Å; T45-I47 HydrophobicContact CG2-CG1 4.22Å; T45-Q58 HydrophobicContact CG2-CB 4.26Å; T45-I61 WeakPolarHBondContact O-CD1 3.2Å
46G97Very high95.6Very high0 Ų069 Ų690%036%0.356CS..EExtended strand (participates in β ladder)trans-98132.7167.500000109.2Q58 T59G46-Q58 WeakPolarHBondContact O-CA 3.48Å; G46-T59 PolarHBondContact N-O 2.76Å; G46-T59 PolarHBondContact O-N 2.9Å
47I96.7Very high95.7Very high22 Ų2267.3 Ų67.311%0.11334%0.344CS..EExtended strand (participates in β ladder)trans-120.7127.4178.8-52.6176.7000107.4V37 K38 T45 E56 F57 Q58V37-I47 CarbonylContact C-O 3.57Å; V37-I47 WeakPolarHBondContact CA-O 3.36Å; K38-I47 HydrophobicContact CB-CB 4.39Å; K38-I47 PolarHBondContact N-O 2.98Å; K38-I47 PolarHBondContact O-N 3.39Å; T45-I47 HydrophobicContact CG2-CG1 4.22Å; I47-E56 HydrophobicContact CG2-CG 3.78Å; I47-F57 WeakPolarHBondContact CA-O 3.37Å; I47-Q58 HydrophobicContact CB-CG 4.49Å; I47-Q58 HydrophobicContact CG1-CG 4.04Å; I47-Q58 HydrophobicContact CG2-CG 4.2Å
48I96.1Very high95.9Very high0 Ų070.9 Ų70.90%036%0.359CS..EExtended strand (participates in β ladder)trans-117.4135.2172.8-177161.3000109.5C35 D36 V37 E56 F57 V70 Y71 W74C35-I48 HydrophobicContact CB-CD1 4.04Å; C35-I48 HydrophobicContact CB-CG1 4.11Å; D36-I48 WeakPolarHBondContact O-CA 3.37Å; V37-I48 HydrophobicContact CG2-CB 4.13Å; V37-I48 HydrophobicContact CG2-CD1 3.77Å; V37-I48 HydrophobicContact CG2-CG1 3.94Å; I48-E56 CarbonylContact O-C 3.55Å; I48-E56 WeakPolarHBondContact O-CA 3.38Å; I48-F57 HydrophobicContact CG2-CB 3.76Å; I48-F57 HydrophobicContact CG2-CD1 4.01Å; I48-F57 HydrophobicContact CG2-CG 4.4Å; I48-F57 PolarHBondContact N-O 3.15Å; I48-F57 PolarHBondContact O-N 3.12Å; I48-V70 HydrophobicContact CB-CG1 3.96Å; I48-V70 HydrophobicContact CG2-CG1 4.06Å; I48-Y71 HydrophobicContact CD1-CD2 3.7Å; I48-Y71 HydrophobicContact CD1-CG 4.42Å; I48-W74 HydrophobicContact CB-CE3 4.4Å; I48-W74 HydrophobicContact CD1-CD2 4.45Å; I48-W74 HydrophobicContact CD1-CE3 3.41Å; I48-W74 VanDerWaalsContact CD1-CE3 3.41Å; I48-W74 HydrophobicContact CD1-CZ3 3.64Å; I48-W74 HydrophobicContact CG1-CE3 3.77Å; I48-W74 HydrophobicContact CG1-CZ3 3.7Å; I48-W74 HydrophobicContact CG2-CB 4.11Å; I48-W74 HydrophobicContact CG2-CD2 3.74Å; I48-W74 HydrophobicContact CG2-CE3 3.73Å; I48-W74 HydrophobicContact CG2-CG 3.97Å; I48-W74 HydrophobicContact CG2-CZ3 4.27Å
49S96Very high96Very high45 Ų4565.2 Ų65.232%0.31534%0.335SS..EExtended strand (participates in β ladder)trans-139.4143.4177.860.40000112.2C35 D36 E55C35-S49 CarbonylContact C-O 3.53Å; C35-S49 VanDerWaalsContact CA-O 3.27Å; C35-S49 WeakPolarHBondContact CA-O 3.29Å; D36-S49 PolarHBondContact N-O 3.09Å; D36-S49 PolarHBondContact O-N 3.35Å; S49-E55 CarbonylContact C-O 3.57Å; S49-E55 VanDerWaalsContact CA-O 3.3Å; S49-E55 WeakPolarHBondContact CA-O 3.33Å
50C96Very high96.1Very high3 Ų368.4 Ų68.42%0.0236%0.359CS..EExtended strand (participates in β ladder)trans-93.8126175.3-177.40000111.1C26 C29 S34 V52 C53 L54 E55 W74C26-C50 HydrophobicContact CB-CB 4.27Å; C29-C50 VanDerWaalsContact SG-SG 3.64Å; S34-C50 PolarHBondContact OG-SG 3.24Å; C50-V52 PolarHBondContact O-N 2.98Å; C50-V52 PolarHBondContact SG-N 3.21Å; C50-V52 VanDerWaalsContact SG-N 3.38Å; C50-C53 VanDerWaalsContact SG-SG 3.67Å; C50-L54 WeakPolarHBondContact O-CA 3.4Å; C50-L54 PolarHBondContact O-N 2.82Å; C50-E55 PolarHBondContact N-O 3.13Å; C50-W74 HydrophobicContact CB-CH2 4.46Å
51S94.9Very high96.2Very high80 Ų8066.5 Ų66.556%0.55935%0.35SS*.THydrogen-bonded Turntrans-70.9-12.9176.556.20000114.6S34S34-S51 PolarHBondContact O-N 2.96Å; S34-S51 PolarHBondContact O-OG 3.14Å
52V96.5Very high96.3Very high72 Ų7264.7 Ų64.744%0.43635%0.352SS..THydrogen-bonded Turntrans-99.4-56.2-176.9179.40000111.9H31 C50H31-V52 HydrophobicContact CB-CG2 4.03Å; C50-V52 PolarHBondContact O-N 2.98Å; C50-V52 PolarHBondContact SG-N 3.21Å; C50-V52 VanDerWaalsContact SG-N 3.38Å
53C96.3Very high96.3Very high50 Ų5067.8 Ų67.834%0.33835%0.351SS..THydrogen-bonded Turntrans-95.5-3.3-179.369.10000114.2C29 C50 E55C29-C53 HydrophobicContact CB-CB 3.81Å; C50-C53 VanDerWaalsContact SG-SG 3.67Å; C53-E55 PolarHBondContact O-N 2.82Å
54L94.8Very high96.2Very high144 Ų14465.7 Ų65.775%0.75435%0.351SS*.  trans6316.7176.8-51.4176.7000114.9C50C50-L54 WeakPolarHBondContact O-CA 3.4Å; C50-L54 PolarHBondContact O-N 2.82Å
55E94.5Very high96.2Very high86 Ų8662.2 Ų62.240%0.40233%0.334SS..  trans-72.7141.3174.1-16558.8-11400110.5F28 S49 C50 C53 W74F28-E55 HydrophobicContact CD2-CB 4.16Å; F28-E55 HydrophobicContact CD2-CG 3.84Å; F28-E55 HydrophobicContact CE2-CB 4.41Å; F28-E55 HydrophobicContact CE2-CG 3.62Å; F28-E55 HydrophobicContact CG-CG 4.41Å; F28-E55 HydrophobicContact CZ-CG 3.96Å; S49-E55 CarbonylContact C-O 3.57Å; S49-E55 VanDerWaalsContact CA-O 3.3Å; S49-E55 WeakPolarHBondContact CA-O 3.33Å; C50-E55 PolarHBondContact N-O 3.13Å; C53-E55 PolarHBondContact O-N 2.82Å; E55-W74 HydrophobicContact CB-CZ2 4.21Å; E55-W74 HydrophobicContact CG-CZ2 3.98Å
56E95.6Very high96Very high101 Ų10165.9 Ų65.947%0.47235%0.349SS..EExtended strand (participates in β ladder)trans-131.4141.9-179.4-176.3-179.511000110.9I47 I48 Q58I47-E56 HydrophobicContact CG2-CG 3.78Å; I48-E56 CarbonylContact O-C 3.55Å; I48-E56 WeakPolarHBondContact O-CA 3.38Å; E56-Q58 PolarHBondContact OE1-NE2 2.9Å
57F96.6Very high95.8Very high50 Ų5067.6 Ų67.622%0.21936%0.361CS..EExtended strand (participates in β ladder)trans-135.5148.8172.9175.5-104.5000111.7I47 I48 T59 D73 W74 A77I47-F57 WeakPolarHBondContact CA-O 3.37Å; I48-F57 HydrophobicContact CG2-CB 3.76Å; I48-F57 HydrophobicContact CG2-CD1 4.01Å; I48-F57 HydrophobicContact CG2-CG 4.4Å; I48-F57 PolarHBondContact N-O 3.15Å; I48-F57 PolarHBondContact O-N 3.12Å; F57-T59 HydrophobicContact CE1-CG2 4.31Å; F57-D73 HydrophobicContact CE1-CB 4.19Å; F57-W74 HydrophobicContact CB-CB 4.5Å; F57-W74 HydrophobicContact CB-CD2 4.16Å; F57-W74 HydrophobicContact CB-CG 3.76Å; F57-W74 VanDerWaalsContact CB-NE1 3.34Å; F57-W74 HydrophobicContact CD1-CB 3.53Å; F57-W74 AromaticContact CD1-CD1 3.64Å; F57-W74 AromaticContact CD1-CG 3.71Å; F57-W74 HydrophobicContact CD1-CG 3.71Å; F57-W74 AromaticContact CD2-CD1 3.89Å; F57-W74 HydrophobicContact CE1-CB 3.95Å; F57-W74 HydrophobicContact CE1-CG 4.48Å; F57-W74 HydrophobicContact CG-CB 4.17Å; F57-W74 AromaticContact CG-CD1 3.33Å; F57-W74 AromaticContact CG-CG 3.84Å; F57-W74 HydrophobicContact CG-CG 3.84Å; F57-W74 AromaticContact CG-NE1 3.91Å; F57-A77 HydrophobicContact CE2-CB 3.69Å; F57-A77 HydrophobicContact CZ-CB 3.68Å
58Q97.2Very high95.7Very high102 Ų10269.6 Ų69.648%0.47737%0.373SS..EExtended strand (participates in β ladder)trans-129.2132.1-179.6-55.7-170.1-7.400110.1T45 G46 I47 E56T45-Q58 HydrophobicContact CG2-CB 4.26Å; G46-Q58 WeakPolarHBondContact O-CA 3.48Å; I47-Q58 HydrophobicContact CB-CG 4.49Å; I47-Q58 HydrophobicContact CG1-CG 4.04Å; I47-Q58 HydrophobicContact CG2-CG 4.2Å; E56-Q58 PolarHBondContact OE1-NE2 2.9Å
59T97.6Very high95.7Very high13 Ų1372.6 Ų72.68%0.0839%0.39CS..EExtended strand (participates in β ladder)trans-134.6145.7178.7-174.30000110.6G46 F57 I61 V70 D73G46-T59 PolarHBondContact N-O 2.76Å; G46-T59 PolarHBondContact O-N 2.9Å; F57-T59 HydrophobicContact CE1-CG2 4.31Å; T59-I61 HydrophobicContact CG2-CG2 4.38Å; T59-V70 HydrophobicContact CG2-CB 4.1Å; T59-V70 HydrophobicContact CG2-CG1 3.83Å; T59-V70 HydrophobicContact CG2-CG2 3.92Å; T59-D73 HydrophobicContact CG2-CB 4.13Å; T59-D73 WeakPolarHBondContact CG2-OD2 3.32Å; T59-D73 PolarHBondContact OG1-OD2 3.4Å
60P97.8Very high95.7Very high110 Ų11070.5 Ų70.571%0.71438%0.375SS*.EExtended strand (participates in β ladder)trans-62.4138.3171.326.6-35.8000111.7N44N44-P60 CarbonylContact O-C 3.59Å; N44-P60 WeakPolarHBondContact O-CA 3.34Å
61I97.8Very high95.7Very high7 Ų772.6 Ų72.64%0.03638%0.383CS..  trans-124.6152.5177.561.9169.3000112.3M39 N44 T45 T59 V70M39-I61 HydrophobicContact CB-CD1 4.12Å; M39-I61 HydrophobicContact CE-CB 4.29Å; M39-I61 HydrophobicContact CE-CD1 3.66Å; M39-I61 HydrophobicContact CE-CG2 4.05Å; M39-I61 HydrophobicContact SD-CD1 3.93Å; M39-I61 HydrophobicContact SD-CG2 4.39Å; N44-I61 VanDerWaalsContact C-CG1 3.43Å; N44-I61 WeakPolarHBondContact CB-O 3.48Å; N44-I61 PolarHBondContact ND2-O 3.38Å; N44-I61 VanDerWaalsContact ND2-O 3.07Å; N44-I61 PolarHBondContact O-N 2.93Å; T45-I61 WeakPolarHBondContact O-CD1 3.2Å; T59-I61 HydrophobicContact CG2-CG2 4.38Å; I61-V70 HydrophobicContact CG2-CG2 3.64Å
62T96.2Very high95.7Very high74 Ų7471.3 Ų71.345%0.45437%0.373SS..  trans-102.5-179.1172.773.20000111.1R41 L64 S65R41-T62 PolarHBondContact NH1-O 3.1Å; T62-L64 VanDerWaalsContact C-N 3.25Å; T62-L64 PolarHBondContact O-N 2.96Å; T62-L64 PolarHBondContact OG1-N 2.78Å; T62-S65 PolarHBondContact N-OG 3.03Å; T62-S65 PolarHBondContact O-N 2.85Å; T62-S65 PolarHBondContact OG1-N 3.07Å; T62-S65 PolarHBondContact OG1-OG 3.48Å; T62-S65 VanDerWaalsContact OG1-OG 3.1Å
63Y94Very high95.8Very high189 Ų18970.7 Ų70.774%0.74137%0.368SS*.SBendtrans-70.1-23.4173.475.7-85.9000112.7R41R41-Y63 VanDerWaalsContact NH1-CA 3.29Å; R41-Y63 PolarHBondContact NH1-O 2.92Å
64L95.2Very high95.8Very high116 Ų11668.5 Ų68.561%0.60735%0.352SS*.SBendtrans-84.7-17.8176.6-65.3175.2000112.7T62T62-L64 VanDerWaalsContact C-N 3.25Å; T62-L64 PolarHBondContact O-N 2.96Å; T62-L64 PolarHBondContact OG1-N 2.78Å
65S95.1Very high95.9Very high16 Ų1663.5 Ų63.511%0.11233%0.326CS..  trans-63.9138.6-176.4-58.50000111.9M39 R41 T62 D69M39-S65 WeakPolarHBondContact CE-O 3.42Å; R41-S65 VanDerWaalsContact CZ-O 3.28Å; R41-S65 PolarHBondContact NH1-O 3.14Å; R41-S65 PolarHBondContact NH2-O 3.28Å; T62-S65 PolarHBondContact N-OG 3.03Å; T62-S65 PolarHBondContact O-N 2.85Å; T62-S65 PolarHBondContact OG1-N 3.07Å; T62-S65 PolarHBondContact OG1-OG 3.48Å; T62-S65 VanDerWaalsContact OG1-OG 3.1Å; S65-D69 VanDerWaalsContact CA-OD2 3.22Å; S65-D69 WeakPolarHBondContact CA-OD2 3.44Å
66E94.3Very high96Very high103 Ų10364 Ų6448%0.48133%0.332SS..  trans-111.7162.1175-62.5-161.5128.900110.3V68 D69E66-V68 HydrophobicContact CB-CG1 4.1Å; E66-V68 PolarHBondContact O-N 3.32Å; E66-V68 VanDerWaalsContact O-N 3.11Å; E66-D69 PolarHBondContact N-OD2 3.45Å; E66-D69 WeakPolarHBondContact O-CB 3.49Å; E66-D69 PolarHBondContact O-N 2.93Å
67P93.6Very high96Very high37 Ų3761 Ų6124%0.2432%0.323CS..Hα-helixtrans-55.3-29.1179.3-30.138.1000114.8T22 F24 V37 M39 D69 V70 Y71T22-P67 HydrophobicContact CG2-CG 4.44Å; F24-P67 HydrophobicContact CE2-CB 4.08Å; F24-P67 HydrophobicContact CZ-CB 4.17Å; V37-P67 HydrophobicContact CB-CB 4.01Å; V37-P67 HydrophobicContact CG1-CB 3.99Å; V37-P67 HydrophobicContact CG2-CB 4.32Å; M39-P67 HydrophobicContact CG-CG 4.32Å; P67-D69 VanDerWaalsContact C-N 3.3Å; P67-D69 PolarHBondContact O-N 3.12Å; P67-V70 PolarHBondContact O-N 3.23Å; P67-Y71 PolarHBondContact O-N 3.47Å
68V94.3Very high95.8Very high63 Ų6359.5 Ų59.538%0.38232%0.319SS..Hα-helixtrans-67-30.7176.565.10000112.7F24 E66 Y71 S72F24-V68 HydrophobicContact CE1-CB 4.2Å; F24-V68 HydrophobicContact CE1-CG2 4.27Å; F24-V68 HydrophobicContact CZ-CB 4.23Å; E66-V68 HydrophobicContact CB-CG1 4.1Å; E66-V68 PolarHBondContact O-N 3.32Å; E66-V68 VanDerWaalsContact O-N 3.11Å; V68-Y71 PolarHBondContact O-N 2.9Å; V68-S72 PolarHBondContact O-N 2.67Å; V68-S72 PolarHBondContact O-OG 2.88Å
69D95.3Very high95.7Very high64 Ų6460.7 Ų60.734%0.34233%0.325SS..Hα-helixtrans-66.3-44.1176.4-57.9-38.8000109.6S65 E66 P67 Y71 S72 D73S65-D69 VanDerWaalsContact CA-OD2 3.22Å; S65-D69 WeakPolarHBondContact CA-OD2 3.44Å; E66-D69 PolarHBondContact N-OD2 3.45Å; E66-D69 WeakPolarHBondContact O-CB 3.49Å; E66-D69 PolarHBondContact O-N 2.93Å; P67-D69 VanDerWaalsContact C-N 3.3Å; P67-D69 PolarHBondContact O-N 3.12Å; D69-Y71 VanDerWaalsContact C-N 3.31Å; D69-Y71 PolarHBondContact O-N 2.99Å; D69-S72 PolarHBondContact O-N 3.26Å; D69-S72 VanDerWaalsContact O-N 3.14Å; D69-D73 PolarHBondContact O-N 3.33Å
70V95.8Very high95.6Very high0 Ų063 Ų630%035%0.345CS..Hα-helixtrans-61-40.5176.8176.60000111.8V37 M39 I48 T59 I61 P67 W74V37-V70 HydrophobicContact CG1-CB 3.99Å; V37-V70 HydrophobicContact CG1-CG1 4Å; V37-V70 HydrophobicContact CG1-CG2 4.18Å; M39-V70 HydrophobicContact CE-CG2 4.23Å; M39-V70 HydrophobicContact SD-CG2 3.64Å; I48-V70 HydrophobicContact CB-CG1 3.96Å; I48-V70 HydrophobicContact CG2-CG1 4.06Å; T59-V70 HydrophobicContact CG2-CB 4.1Å; T59-V70 HydrophobicContact CG2-CG1 3.83Å; T59-V70 HydrophobicContact CG2-CG2 3.92Å; I61-V70 HydrophobicContact CG2-CG2 3.64Å; P67-V70 PolarHBondContact O-N 3.23Å; V70-W74 PolarHBondContact O-N 2.92Å; V70-W74 VanDerWaalsContact O-N 3.14Å
71Y96.3Very high95.3Very high48 Ų4861.5 Ų61.519%0.18834%0.342CS..Hα-helixtrans-64.7-43.1175.1177.7-106.7000111.8F24 T25 I48 P67 V68 D69 W74 I75F24-Y71 HydrophobicContact CB-CD1 4.39Å; F24-Y71 HydrophobicContact CB-CD2 3.46Å; F24-Y71 VanDerWaalsContact CB-CD2 3.46Å; F24-Y71 HydrophobicContact CB-CE2 3.63Å; F24-Y71 HydrophobicContact CB-CG 3.86Å; F24-Y71 AromaticContact CD1-CD1 3.75Å; F24-Y71 HydrophobicContact CD1-CD1 3.75Å; F24-Y71 HydrophobicContact CD1-CD2 4.18Å; F24-Y71 HydrophobicContact CD1-CE1 4.34Å; F24-Y71 AromaticContact CD1-CG 3.65Å; F24-Y71 HydrophobicContact CD1-CG 3.65Å; F24-Y71 HydrophobicContact CD2-CD2 4.47Å; F24-Y71 HydrophobicContact CD2-CG 4.38Å; F24-Y71 HydrophobicContact CE1-CD1 4.38Å; F24-Y71 HydrophobicContact CE1-CG 4.3Å; F24-Y71 HydrophobicContact CG-CD1 4.23Å; F24-Y71 AromaticContact CG-CD2 3.8Å; F24-Y71 HydrophobicContact CG-CD2 3.8Å; F24-Y71 HydrophobicContact CG-CE2 4.39Å; F24-Y71 AromaticContact CG-CG 3.7Å; F24-Y71 HydrophobicContact CG-CG 3.7Å; T25-Y71 WeakPolarHBondContact O-CE2 3.27Å; T25-Y71 PolarHBondContact O-OH 3.38Å; I48-Y71 HydrophobicContact CD1-CD2 3.7Å; I48-Y71 HydrophobicContact CD1-CG 4.42Å; P67-Y71 PolarHBondContact O-N 3.47Å; V68-Y71 PolarHBondContact O-N 2.9Å; D69-Y71 VanDerWaalsContact C-N 3.31Å; D69-Y71 PolarHBondContact O-N 2.99Å; Y71-W74 HydrophobicContact CD2-CE3 4.24Å; Y71-W74 HydrophobicContact CE2-CE3 4.45Å; Y71-W74 WeakPolarHBondContact O-CB 3.36Å; Y71-W74 PolarHBondContact O-N 3.01Å; Y71-I75 HydrophobicContact CD1-CG1 4.48Å; Y71-I75 HydrophobicContact CE1-CD1 4.41Å; Y71-I75 HydrophobicContact CE1-CG1 4.03Å; Y71-I75 HydrophobicContact CE2-CD1 4.06Å; Y71-I75 HydrophobicContact CE2-CG1 4.31Å; Y71-I75 WeakPolarHBondContact O-CG1 3.41Å; Y71-I75 PolarHBondContact O-N 3.39Å; Y71-I75 VanDerWaalsContact O-N 3.13Å
72S95.8Very high94.8Very high52 Ų5267.9 Ų67.936%0.36438%0.376SS..Hα-helixtrans-64.3-45.7179.5-53.40000111.4V68 D69 W74 I75 D76V68-S72 PolarHBondContact O-N 2.67Å; V68-S72 PolarHBondContact O-OG 2.88Å; D69-S72 PolarHBondContact O-N 3.26Å; D69-S72 VanDerWaalsContact O-N 3.14Å; S72-W74 PolarHBondContact O-N 2.87Å; S72-I75 PolarHBondContact O-N 2.94Å; S72-I75 VanDerWaalsContact O-N 3.09Å; S72-D76 PolarHBondContact O-N 2.95Å
73D97.4Very high93.8Very high59 Ų5975.4 Ų75.432%0.31641%0.406SS..Hα-helixtrans-56.5-37.1174.3-72.7-9.8000112F57 T59 D69 A77F57-D73 HydrophobicContact CE1-CB 4.19Å; T59-D73 HydrophobicContact CG2-CB 4.13Å; T59-D73 WeakPolarHBondContact CG2-OD2 3.32Å; T59-D73 PolarHBondContact OG1-OD2 3.4Å; D69-D73 PolarHBondContact O-N 3.33Å; D73-A77 VanDerWaalsContact O-CB 3.29Å; D73-A77 WeakPolarHBondContact O-CB 3.3Å; D73-A77 PolarHBondContact O-N 3.43Å
74W96.4Very high93.8Very high5 Ų569.7 Ų69.72%0.01939%0.39CS..Hα-helixtrans-66.8-43.1177.6-171.323.7000112P27 F28 C35 I48 C50 E55 F57 V70 Y71 S72 A77 C78P27-W74 HydrophobicContact CG-CD2 4.34Å; P27-W74 HydrophobicContact CG-CE3 4.3Å; P27-W74 HydrophobicContact CG-CH2 4.49Å; P27-W74 HydrophobicContact CG-CZ2 4.45Å; P27-W74 HydrophobicContact CG-CZ3 4.4Å; F28-W74 HydrophobicContact CD2-CH2 4.39Å; F28-W74 AromaticContact CD2-CZ2 3.82Å; F28-W74 HydrophobicContact CD2-CZ2 3.82Å; F28-W74 AromaticContact CE2-CE2 3.72Å; F28-W74 HydrophobicContact CE2-CH2 4.45Å; F28-W74 AromaticContact CE2-CZ2 3.5Å; F28-W74 HydrophobicContact CE2-CZ2 3.5Å; F28-W74 VanDerWaalsContact CE2-CZ2 3.5Å; F28-W74 AromaticContact CE2-NE1 3.69Å; C35-W74 HydrophobicContact CB-CZ3 4.28Å; I48-W74 HydrophobicContact CB-CE3 4.4Å; I48-W74 HydrophobicContact CD1-CD2 4.45Å; I48-W74 HydrophobicContact CD1-CE3 3.41Å; I48-W74 VanDerWaalsContact CD1-CE3 3.41Å; I48-W74 HydrophobicContact CD1-CZ3 3.64Å; I48-W74 HydrophobicContact CG1-CE3 3.77Å; I48-W74 HydrophobicContact CG1-CZ3 3.7Å; I48-W74 HydrophobicContact CG2-CB 4.11Å; I48-W74 HydrophobicContact CG2-CD2 3.74Å; I48-W74 HydrophobicContact CG2-CE3 3.73Å; I48-W74 HydrophobicContact CG2-CG 3.97Å; I48-W74 HydrophobicContact CG2-CZ3 4.27Å; C50-W74 HydrophobicContact CB-CH2 4.46Å; E55-W74 HydrophobicContact CB-CZ2 4.21Å; E55-W74 HydrophobicContact CG-CZ2 3.98Å; F57-W74 HydrophobicContact CB-CB 4.5Å; F57-W74 HydrophobicContact CB-CD2 4.16Å; F57-W74 HydrophobicContact CB-CG 3.76Å; F57-W74 VanDerWaalsContact CB-NE1 3.34Å; F57-W74 HydrophobicContact CD1-CB 3.53Å; F57-W74 AromaticContact CD1-CD1 3.64Å; F57-W74 AromaticContact CD1-CG 3.71Å; F57-W74 HydrophobicContact CD1-CG 3.71Å; F57-W74 AromaticContact CD2-CD1 3.89Å; F57-W74 HydrophobicContact CE1-CB 3.95Å; F57-W74 HydrophobicContact CE1-CG 4.48Å; F57-W74 HydrophobicContact CG-CB 4.17Å; F57-W74 AromaticContact CG-CD1 3.33Å; F57-W74 AromaticContact CG-CG 3.84Å; F57-W74 HydrophobicContact CG-CG 3.84Å; F57-W74 AromaticContact CG-NE1 3.91Å; V70-W74 PolarHBondContact O-N 2.92Å; V70-W74 VanDerWaalsContact O-N 3.14Å; Y71-W74 HydrophobicContact CD2-CE3 4.24Å; Y71-W74 HydrophobicContact CE2-CE3 4.45Å; Y71-W74 WeakPolarHBondContact O-CB 3.36Å; Y71-W74 PolarHBondContact O-N 3.01Å; S72-W74 PolarHBondContact O-N 2.87Å; W74-A77 PolarHBondContact O-N 2.83Å; W74-C78 WeakPolarHBondContact O-CB 3.39Å; W74-C78 PolarHBondContact O-N 3.26Å; W74-C78 PolarHBondContact O-SG 3.38Å
75I96.5Very high93.8Very high38 Ų3867.3 Ų67.320%0.19538%0.378CS..Hα-helixtrans-60.8-49.4175.5-60.6-57.6000110.3P27 Y71 S72 A77 C78 E79P27-I75 HydrophobicContact CB-CD1 3.66Å; P27-I75 HydrophobicContact CG-CD1 3.8Å; Y71-I75 HydrophobicContact CD1-CG1 4.48Å; Y71-I75 HydrophobicContact CE1-CD1 4.41Å; Y71-I75 HydrophobicContact CE1-CG1 4.03Å; Y71-I75 HydrophobicContact CE2-CD1 4.06Å; Y71-I75 HydrophobicContact CE2-CG1 4.31Å; Y71-I75 WeakPolarHBondContact O-CG1 3.41Å; Y71-I75 PolarHBondContact O-N 3.39Å; Y71-I75 VanDerWaalsContact O-N 3.13Å; S72-I75 PolarHBondContact O-N 2.94Å; S72-I75 VanDerWaalsContact O-N 3.09Å; I75-A77 VanDerWaalsContact C-N 3.3Å; I75-A77 PolarHBondContact O-N 2.89Å; I75-C78 WeakPolarHBondContact O-CB 3.41Å; I75-C78 PolarHBondContact O-N 2.95Å; I75-C78 VanDerWaalsContact O-N 3.12Å; I75-E79 HydrophobicContact CG2-CG 4.47Å; I75-E79 WeakPolarHBondContact O-CG 3.48Å; I75-E79 PolarHBondContact O-N 2.91Å
76D96.6Very high93.7Very high98 Ų9870.1 Ų70.152%0.52439%0.393SS..Hα-helixtrans-59.7-41.4179.4-69.1-15.2000111.6S72 E79 A80S72-D76 PolarHBondContact O-N 2.95Å; D76-E79 PolarHBondContact O-N 3.47Å; D76-A80 WeakPolarHBondContact O-CB 3.33Å; D76-A80 PolarHBondContact O-N 3.14Å
77A95.5Very high93.6Very high36 Ų3668.2 Ų68.230%0.29839%0.388SS..Hα-helixtrans-65.2-39.7175.900000112.5F57 D73 W74 I75 A81F57-A77 HydrophobicContact CE2-CB 3.69Å; F57-A77 HydrophobicContact CZ-CB 3.68Å; D73-A77 VanDerWaalsContact O-CB 3.29Å; D73-A77 WeakPolarHBondContact O-CB 3.3Å; D73-A77 PolarHBondContact O-N 3.43Å; W74-A77 PolarHBondContact O-N 2.83Å; I75-A77 VanDerWaalsContact C-N 3.3Å; I75-A77 PolarHBondContact O-N 2.89Å; A77-A81 WeakPolarHBondContact O-CB 3.39Å; A77-A81 PolarHBondContact O-N 3.05Å
78C93.9Very high93.6Very high20 Ų2070.1 Ų70.114%0.13540%0.397CS..Hα-helixtrans-64.1-42.5174.2-73.20000111.9F28 W74 I75 N82F28-C78 WeakPolarHBondContact CZ-SG 3.17Å; W74-C78 WeakPolarHBondContact O-CB 3.39Å; W74-C78 PolarHBondContact O-N 3.26Å; W74-C78 PolarHBondContact O-SG 3.38Å; I75-C78 WeakPolarHBondContact O-CB 3.41Å; I75-C78 PolarHBondContact O-N 2.95Å; I75-C78 VanDerWaalsContact O-N 3.12Å; C78-N82 PolarHBondContact O-N 3.09Å; C78-N82 PolarHBondContact O-ND2 2.92Å
79E94.1Very high93.6Very high126 Ų12670.6 Ų70.659%0.58940%0.398SS*.Hα-helixtrans-65.5-44.6177.2-70.6-176.2-177.500111.6I75 D76 A81 N82 Q83I75-E79 HydrophobicContact CG2-CG 4.47Å; I75-E79 WeakPolarHBondContact O-CG 3.48Å; I75-E79 PolarHBondContact O-N 2.91Å; D76-E79 PolarHBondContact O-N 3.47Å; E79-A81 VanDerWaalsContact C-N 3.32Å; E79-A81 PolarHBondContact O-N 3.41Å; E79-N82 PolarHBondContact O-N 3.02Å; E79-N82 VanDerWaalsContact O-N 3.14Å; E79-Q83 PolarHBondContact O-N 3.19Å
80A94.8Very high93.5Very high61 Ų6171.1 Ų71.150%0.50440%0.402SS..Hα-helixtrans-63.3-35.4178.200000113D76 N82D76-A80 WeakPolarHBondContact O-CB 3.33Å; D76-A80 PolarHBondContact O-N 3.14Å; A80-N82 VanDerWaalsContact C-N 3.25Å; A80-N82 PolarHBondContact O-N 3.29Å
81A92.8Very high93.3Very high80 Ų8076.5 Ų76.566%0.66143%0.433SS*.Hα-helixtrans-72.3-18.2176.900000113.7A77 E79A77-A81 WeakPolarHBondContact O-CB 3.39Å; A77-A81 PolarHBondContact O-N 3.05Å; E79-A81 VanDerWaalsContact C-N 3.32Å; E79-A81 PolarHBondContact O-N 3.41Å
82N87.8Confident93.1Very high141 Ų14178.9 Ų78.975%0.75445%0.453SS*.THydrogen-bonded Turntrans-100.57.7-178.9-71.5-44.2000113.5C78 E79 A80C78-N82 PolarHBondContact O-N 3.09Å; C78-N82 PolarHBondContact O-ND2 2.92Å; E79-N82 PolarHBondContact O-N 3.02Å; E79-N82 VanDerWaalsContact O-N 3.14Å; A80-N82 VanDerWaalsContact C-N 3.25Å; A80-N82 PolarHBondContact O-N 3.29Å
83Q75.3Confident92.8Very high231 Ų23181.4 Ų81.4100%1.07946%0.461SS*.  trans-84.60168.6-80.2-176.7-20.300111.8E79E79-Q83 PolarHBondContact O-N 3.19Å

Retrieved 83 of 83 residues in 121.5 ms (Link to these results)