A0A096M7U4_POEFO 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 (A0A3P9PD73), UniProt , Accession A0A096M7U4, Species POEFO (Poecilia formosa, Amazon molly), Gene ELOF1, 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
1M47.8Very low62Low245 Ų245180.8 Ų180.8100%1.20787%0.871SS**  080.40-72.8-84.4-94.400109.4
2G52.7Low62.7Low74 Ų74176 Ų17676%0.76387%0.865SS**  trans-82.7116.6-173.900000112.4R4G2-R4 PolarHBondContact O-N 3.09Å; G2-R4 VanDerWaalsContact O-N 3.11Å
3R59.2Low63Low249 Ų249177.7 Ų177.794%0.9487%0.865SS**  trans-64.8104.1175-83.1174.2152.4-166.8-5.7110.3K5R3-K5 PolarHBondContact O-N 3.37Å
4R61.8Low63.1Low245 Ų245179.4 Ų179.493%0.92587%0.866SS**  trans-69.8110.7170.5-68.9-179179.4-178.5-0.4108.8G2 S6G2-R4 PolarHBondContact O-N 3.09Å; G2-R4 VanDerWaalsContact O-N 3.11Å; R4-S6 PolarHBondContact O-N 3.27Å
5K60.7Low62.9Low208 Ų208180.5 Ų180.590%0.90487%0.865SS**  trans-60.8116.8169-87.1177.8174.5175.40108.2R3 K7R3-K5 PolarHBondContact O-N 3.37Å; K5-K7 PolarHBondContact O-N 3.14Å
6S62.7Low62.6Low105 Ų105180.3 Ų180.373%0.73487%0.865SS**  trans-61.8122.3172.351.10000109R4 R8R4-S6 PolarHBondContact O-N 3.27Å; S6-R8 VanDerWaalsContact C-N 3.33Å; S6-R8 PolarHBondContact O-N 2.85Å
7K64.1Low62.1Low207 Ų207177.9 Ų177.990%0.987%0.865SS**  trans-71.289.7176.9-158.4173.4-173.6-175.30107.4K5 K9K5-K7 PolarHBondContact O-N 3.14Å; K7-K9 PolarHBondContact O-N 2.66Å
8R66.4Low61.6Low230 Ų230170.9 Ų170.987%0.86885%0.847SS**PPolyproline II helixtrans-58.1122.3174.2-88.4-177.3172.4-175.9-2.8108.3S6S6-R8 VanDerWaalsContact C-N 3.33Å; S6-R8 PolarHBondContact O-N 2.85Å
9K66.6Low61.4Low197 Ų197170.5 Ų170.586%0.85785%0.848SS**PPolyproline II helixtrans-62.7134.5172.7-65.2-178.3-178.3-179.60108K7K7-K9 PolarHBondContact O-N 2.66Å
10P69.1Low61.3Low115 Ų115168.6 Ų168.675%0.74784%0.84SS**PPolyproline II helixtrans-59.5146.4175.323.3-30.6000109.9
11P71.3Confident61.3Low114 Ų114167 Ų16774%0.7483%0.83SS**PPolyproline II helixtrans-57.2140.7177.622.9-31.4000109.8K13P11-K13 PolarHBondContact O-N 3.12Å
12P69.8Low62.4Low123 Ų123158.8 Ų158.880%0.79979%0.794SS**PPolyproline II helixtrans-56.9129.9177.623.7-31.9000108.9K14P12-K14 PolarHBondContact O-N 3.3Å; P12-K14 VanDerWaalsContact O-N 3.15Å
13K67.3Low63.8Low198 Ų198159.8 Ų159.886%0.86178%0.779SS**PPolyproline II helixtrans-55123.1174.5-65.6-175.7179.5-176.40107.3P11 K15P11-K13 PolarHBondContact O-N 3.12Å; K13-K15 PolarHBondContact O-N 3.15Å; K13-K15 VanDerWaalsContact O-N 3.09Å
14K64.4Low65.3Low202 Ų202149.3 Ų149.388%0.87874%0.74SS**PPolyproline II helixtrans-48.5120.8171.6-114.6-179.6177.8-176.80106.7P12 M16P12-K14 PolarHBondContact O-N 3.3Å; P12-K14 VanDerWaalsContact O-N 3.15Å; K14-M16 PolarHBondContact O-N 3.06Å
15K59.7Low66.8Low196 Ų196140 Ų14085%0.85271%0.711SS**  trans-58.3116167.4-66.6-173.6179.2-174.30105.1K13 T17K13-K15 PolarHBondContact O-N 3.15Å; K13-K15 VanDerWaalsContact O-N 3.09Å; K15-T17 PolarHBondContact O-N 3.42Å
16M58.1Low68.4Low176 Ų176130.2 Ų130.287%0.86767%0.668SS**  trans-6096.2164.1-78.3160.565.100104.8K14 G18K14-M16 PolarHBondContact O-N 3.06Å; M16-G18 PolarHBondContact O-N 3.41Å
17T53.6Low69.8Low141 Ų141127.4 Ų127.487%0.86565%0.648SS**  trans-56.887.3143.823.90000103.8K15K15-T17 PolarHBondContact O-N 3.42Å
18G53.6Low71.1Confident52 Ų52122.5 Ų122.554%0.53663%0.626SS.*PPolyproline II helixtrans-58.5140.7178.600000107.7M16 L20M16-G18 PolarHBondContact O-N 3.41Å; G18-L20 PolarHBondContact O-N 2.76Å
19D57.7Low72.4Confident163 Ų163113.4 Ų113.487%0.87260%0.597SS**PPolyproline II helixtrans-46.5128.9167.5-69.5-64.8000108.3E21D19-E21 PolarHBondContact O-N 2.92Å
20L59.4Low73.6Confident132 Ų132109.9 Ų109.969%0.69159%0.588SS**PPolyproline II helixtrans-52.1130.2173.9-71.2163.2000107.3G18 T22G18-L20 PolarHBondContact O-N 2.76Å; L20-T22 PolarHBondContact O-N 2.73Å
21E61.4Low74.7Confident136 Ų136109.5 Ų109.564%0.63658%0.576SS**  trans-56.7114.1-178.6-66.7-171.4169.500108.7D19 Q23 K33D19-E21 PolarHBondContact O-N 2.92Å; E21-Q23 PolarHBondContact O-N 2.7Å; E21-K33 IonicContact OE1-NZ 3.44Å; E21-K33 PolarHBondContact OE1-NZ 2.82Å; E21-K33 WeakPolarHBondContact OE2-CE 3.34Å; E21-K33 IonicContact OE2-NZ 2.8Å; E21-K33 PolarHBondContact OE2-NZ 2.77Å
22T70.5Confident75.7Confident71 Ų71111.5 Ų111.544%0.43658%0.576SS.*  trans-83.817.6179.156.80000112.5L20 P67L20-T22 PolarHBondContact O-N 2.73Å; T22-P67 HydrophobicContact CG2-CG 4.3Å
23Q81.9Confident76.6Confident95 Ų95110.5 Ų110.544%0.44456%0.559SS.*  trans-110.2113.7-173-68.9-175.8-8.400109.5E21 K33E21-Q23 PolarHBondContact O-N 2.7Å; Q23-K33 HydrophobicContact CB-CB 3.81Å; Q23-K33 HydrophobicContact CB-CD 4.49Å; Q23-K33 HydrophobicContact CB-CG 3.91Å
24F91.2Very high77.8Confident30 Ų30101.3 Ų101.313%0.13252%0.519CS..BIsolated β-bridgetrans-110.1161.2-176.5-55.8-85000111.6K33 S34 C35 V37 P67 V68 Y71F24-K33 CarbonylContact O-C 3.54Å; F24-K33 WeakPolarHBondContact O-CA 3.37Å; F24-K33 PolarHBondContact O-N 2.95Å; F24-S34 PolarHBondContact O-N 2.82Å; F24-S34 VanDerWaalsContact O-N 3.1Å; F24-C35 HydrophobicContact CB-CB 4.14Å; F24-C35 PolarHBondContact N-O 3Å; F24-C35 PolarHBondContact O-N 3.16Å; F24-C35 VanDerWaalsContact O-N 3.15Å; F24-V37 HydrophobicContact CD2-CG2 3.82Å; F24-V37 HydrophobicContact CE2-CG2 3.68Å; F24-P67 HydrophobicContact CE2-CB 4.11Å; F24-P67 HydrophobicContact CZ-CB 4.24Å; F24-V68 HydrophobicContact CE1-CB 4.18Å; F24-V68 HydrophobicContact CE1-CG2 4.23Å; F24-V68 HydrophobicContact CZ-CB 4.17Å; F24-Y71 HydrophobicContact CB-CD1 4.4Å; F24-Y71 HydrophobicContact CB-CD2 3.44Å; F24-Y71 VanDerWaalsContact CB-CD2 3.44Å; F24-Y71 HydrophobicContact CB-CE2 3.6Å; F24-Y71 HydrophobicContact CB-CG 3.87Å; F24-Y71 AromaticContact CD1-CD1 3.7Å; F24-Y71 HydrophobicContact CD1-CD1 3.7Å; F24-Y71 HydrophobicContact CD1-CD2 4.12Å; F24-Y71 HydrophobicContact CD1-CE1 4.27Å; F24-Y71 AromaticContact CD1-CG 3.6Å; F24-Y71 HydrophobicContact CD1-CG 3.6Å; F24-Y71 HydrophobicContact CD2-CD2 4.46Å; F24-Y71 HydrophobicContact CD2-CG 4.37Å; F24-Y71 HydrophobicContact CE1-CD1 4.3Å; F24-Y71 HydrophobicContact CE1-CG 4.24Å; F24-Y71 HydrophobicContact CG-CD1 4.22Å; F24-Y71 AromaticContact CG-CD2 3.77Å; F24-Y71 HydrophobicContact CG-CD2 3.77Å; F24-Y71 HydrophobicContact CG-CE2 4.35Å; F24-Y71 AromaticContact CG-CG 3.68Å; F24-Y71 HydrophobicContact CG-CG 3.68Å
25T93.1Very high79.2Confident50 Ų5091.7 Ų91.731%0.30748%0.477SS..  trans-84134.5175.2-60.90000109.7Y71T25-Y71 WeakPolarHBondContact O-CE2 3.5Å; T25-Y71 PolarHBondContact O-OH 3.35Å
26C94.1Very high80.8Confident1 Ų186.2 Ų86.21%0.00746%0.457CS..  trans-74.6131.5179.5-176.30000111.8F28 C29 N30 H31 S34 C35 C50 C53C26-F28 PolarHBondContact O-N 2.95Å; C26-F28 PolarHBondContact SG-N 2.81Å; C26-F28 VanDerWaalsContact SG-N 3.41Å; C26-C29 VanDerWaalsContact CB-SG 3.59Å; C26-N30 VanDerWaalsContact O-CA 3.27Å; C26-N30 WeakPolarHBondContact O-CA 3.31Å; C26-N30 PolarHBondContact O-N 3.23Å; C26-H31 PolarHBondContact N-O 3.11Å; C26-S34 WeakPolarHBondContact CB-OG 3.39Å; C26-C35 WeakPolarHBondContact CA-SG 3.33Å; C26-C35 WeakPolarHBondContact CB-SG 3.33Å; C26-C50 HydrophobicContact CB-CB 4.27Å; C26-C50 VanDerWaalsContact SG-SG 3.68Å; C26-C53 PolarHBondContact SG-SG 3.48Å
27P92.4Very high82.6Confident47 Ų4779.1 Ų79.131%0.30542%0.424SS..THydrogen-bonded Turntrans-71.7-15.4176.329.3-35.1000113.9W74 I75P27-W74 HydrophobicContact CG-CD2 4.37Å; P27-W74 HydrophobicContact CG-CE3 4.28Å; P27-W74 HydrophobicContact CG-CH2 4.45Å; P27-W74 HydrophobicContact CG-CZ2 4.47Å; P27-W74 HydrophobicContact CG-CZ3 4.33Å; P27-I75 HydrophobicContact CB-CD1 3.67Å; P27-I75 HydrophobicContact CG-CD1 3.76Å
28F91.6Very high84.5Confident103 Ų10379 Ų7945%0.45241%0.412SS..THydrogen-bonded Turntrans-92.8-49.4-178.2-63-86.4000112.9C26 E55 W74 C78C26-F28 PolarHBondContact O-N 2.95Å; C26-F28 PolarHBondContact SG-N 2.81Å; C26-F28 VanDerWaalsContact SG-N 3.41Å; F28-E55 HydrophobicContact CD2-CB 4.19Å; F28-E55 HydrophobicContact CD2-CG 3.91Å; F28-E55 HydrophobicContact CE2-CB 4.44Å; F28-E55 HydrophobicContact CE2-CG 3.69Å; F28-E55 HydrophobicContact CG-CG 4.49Å; F28-E55 HydrophobicContact CZ-CG 4.05Å; F28-W74 HydrophobicContact CD2-CH2 4.36Å; F28-W74 AromaticContact CD2-CZ2 3.81Å; F28-W74 HydrophobicContact CD2-CZ2 3.81Å; F28-W74 AromaticContact CE2-CE2 3.73Å; F28-W74 HydrophobicContact CE2-CH2 4.43Å; F28-W74 AromaticContact CE2-CZ2 3.51Å; F28-W74 HydrophobicContact CE2-CZ2 3.51Å; F28-W74 AromaticContact CE2-NE1 3.7Å; F28-C78 WeakPolarHBondContact CZ-SG 3.4Å
29C94.2Very high86.4Confident39 Ų3978.5 Ų78.526%0.26440%0.396SS..THydrogen-bonded Turntrans-108.41.5-17570.90000114.1C26 H31 C50 C53C26-C29 VanDerWaalsContact CB-SG 3.59Å; C29-H31 PolarHBondContact O-CD2 3.22Å; C29-H31 PolarHBondContact O-N 3.44Å; C29-C50 VanDerWaalsContact SG-SG 3.6Å; C29-C53 HydrophobicContact CB-CB 3.86Å
30N91.5Very high88.2Confident123 Ų12373.2 Ų73.266%0.65837%0.366SS*.  trans55.711.3176.5-93.681.7000116.5C26 E32C26-N30 VanDerWaalsContact O-CA 3.27Å; C26-N30 WeakPolarHBondContact O-CA 3.31Å; C26-N30 PolarHBondContact O-N 3.23Å; N30-E32 PolarHBondContact O-N 3.44Å
31H92.1Very high89.9Confident107 Ų10771.9 Ų71.950%0.49535%0.352SS..  trans-72.6122.7174.3-86.5-92.5000109.9C26 C29 S34 V52C26-H31 PolarHBondContact N-O 3.11Å; C29-H31 PolarHBondContact O-CD2 3.22Å; C29-H31 PolarHBondContact O-N 3.44Å; H31-S34 WeakPolarHBondContact O-CB 3.19Å; H31-S34 PolarHBondContact O-OG 3.5Å; H31-V52 HydrophobicContact CB-CB 4.48Å; H31-V52 HydrophobicContact CB-CG2 3.99Å
32E91.8Very high91.5Very high157 Ų15770.3 Ų70.373%0.73436%0.355SS*.THydrogen-bonded Turntrans-63.9145.8174.9-61.6-174.916600110.9N30 S34N30-E32 PolarHBondContact O-N 3.44Å; E32-S34 PolarHBondContact O-N 3.37Å
33K89.6Confident92.6Very high101 Ų10174.5 Ų74.544%0.43936%0.363SS..THydrogen-bonded Turntrans53.530.6173.8-62.3-174.3173.4-149.70114E21 Q23 F24E21-K33 IonicContact OE1-NZ 3.44Å; E21-K33 PolarHBondContact OE1-NZ 2.82Å; E21-K33 WeakPolarHBondContact OE2-CE 3.34Å; E21-K33 IonicContact OE2-NZ 2.8Å; E21-K33 PolarHBondContact OE2-NZ 2.77Å; Q23-K33 HydrophobicContact CB-CB 3.81Å; Q23-K33 HydrophobicContact CB-CD 4.49Å; Q23-K33 HydrophobicContact CB-CG 3.91Å; F24-K33 CarbonylContact O-C 3.54Å; F24-K33 WeakPolarHBondContact O-CA 3.37Å; F24-K33 PolarHBondContact O-N 2.95Å
34S92.6Very high93.3Very high5 Ų574.2 Ų74.24%0.03537%0.365CS..  trans-100.8-10.8-176630000113.5F24 C26 H31 E32 C50 S51F24-S34 PolarHBondContact O-N 2.82Å; F24-S34 VanDerWaalsContact O-N 3.1Å; C26-S34 WeakPolarHBondContact CB-OG 3.39Å; H31-S34 WeakPolarHBondContact O-CB 3.19Å; H31-S34 PolarHBondContact O-OG 3.5Å; E32-S34 PolarHBondContact O-N 3.37Å; S34-C50 WeakPolarHBondContact O-CA 3.39Å; S34-C50 PolarHBondContact OG-SG 3.04Å; S34-S51 PolarHBondContact O-N 2.94Å; S34-S51 PolarHBondContact O-OG 3.32Å
35C94.3Very high93.6Very high0 Ų074 Ų740%037%0.366CS..EExtended strand (participates in β ladder)trans-102.6125.8-177.9-64.40000111.7F24 C26 I48 S49 W74F24-C35 HydrophobicContact CB-CB 4.14Å; F24-C35 PolarHBondContact N-O 3Å; F24-C35 PolarHBondContact O-N 3.16Å; F24-C35 VanDerWaalsContact O-N 3.15Å; C26-C35 WeakPolarHBondContact CA-SG 3.33Å; C26-C35 WeakPolarHBondContact CB-SG 3.33Å; C35-I48 HydrophobicContact CB-CD1 4.05Å; C35-I48 HydrophobicContact CB-CG1 4.13Å; C35-S49 WeakPolarHBondContact CA-O 3.36Å; C35-W74 HydrophobicContact CB-CZ3 4.28Å; C35-W74 VanDerWaalsContact SG-CZ3 3.53Å
36D93.1Very high93.8Very high81 Ų8171.7 Ų71.743%0.43335%0.352SS..EExtended strand (participates in β ladder)trans-105.3139.3175.7-69.6-77.4000110.2I48 S49D36-I48 WeakPolarHBondContact O-CA 3.39Å; D36-S49 PolarHBondContact N-O 3.13Å; D36-S49 PolarHBondContact O-N 3.19Å
37V94.3Very high93.9Very high28 Ų2872.5 Ų72.517%0.1736%0.357CS..EExtended strand (participates in β ladder)trans-114.4127.3179.4-177.20000110.8F24 M39 V47 I48 P67 V70F24-V37 HydrophobicContact CD2-CG2 3.82Å; F24-V37 HydrophobicContact CE2-CG2 3.68Å; V37-M39 HydrophobicContact CG1-CG 4.39Å; V37-M39 HydrophobicContact CG1-SD 3.92Å; V37-V47 CarbonylContact C-O 3.55Å; V37-V47 WeakPolarHBondContact CA-O 3.27Å; V37-I48 HydrophobicContact CG2-CB 4.17Å; V37-I48 HydrophobicContact CG2-CD1 3.79Å; V37-I48 HydrophobicContact CG2-CG1 3.95Å; V37-P67 HydrophobicContact CB-CB 4.04Å; V37-P67 HydrophobicContact CG1-CB 3.97Å; V37-P67 HydrophobicContact CG2-CB 4.37Å; V37-V70 HydrophobicContact CG1-CB 3.99Å; V37-V70 HydrophobicContact CG1-CG1 4.02Å; V37-V70 HydrophobicContact CG1-CG2 4.21Å
38K94.2Very high94Very high138 Ų13870.2 Ų70.260%0.634%0.342SS*.EExtended strand (participates in β ladder)trans-110.8114.5174.7-172.7-178.8179.9-173.60110.2E40 V47K38-E40 PolarHBondContact O-N 3.28Å; K38-V47 HydrophobicContact CB-CB 4.41Å; K38-V47 PolarHBondContact N-O 3.24Å; K38-V47 PolarHBondContact O-N 3.11Å
39M94.5Very high94.2Very high41 Ų4167.4 Ų67.420%0.20234%0.335CS..EExtended strand (participates in β ladder)trans-92.796178.3-59.6-63.5-89.600110.8V37 R41 I61 S65 P67 V70V37-M39 HydrophobicContact CG1-CG 4.39Å; V37-M39 HydrophobicContact CG1-SD 3.92Å; M39-R41 PolarHBondContact O-N 3.45Å; M39-R41 VanDerWaalsContact O-N 3.16Å; M39-I61 HydrophobicContact CB-CD1 4.07Å; M39-I61 HydrophobicContact CE-CB 4.28Å; M39-I61 HydrophobicContact CE-CD1 3.73Å; M39-I61 HydrophobicContact CE-CG2 4Å; M39-I61 HydrophobicContact SD-CD1 3.94Å; M39-I61 HydrophobicContact SD-CG2 4.36Å; M39-S65 WeakPolarHBondContact CE-O 3.32Å; M39-P67 HydrophobicContact CG-CG 4.31Å; M39-V70 HydrophobicContact CE-CG2 4.13Å; M39-V70 HydrophobicContact SD-CG2 3.6Å; M39-V70 VanDerWaalsContact SD-CG2 3.6Å
40E95.1Very high94.3Very high53 Ų5365.7 Ų65.725%0.24832%0.324CS..EExtended strand (participates in β ladder)trans-8778.6177.5-165166-142.500111K38 S42 R43 N44 T45K38-E40 PolarHBondContact O-N 3.28Å; E40-S42 PolarHBondContact O-N 2.94Å; E40-R43 HydrophobicContact CG-CB 4.15Å; E40-R43 HydrophobicContact CG-CG 4.32Å; E40-R43 PolarHBondContact O-N 2.8Å; E40-R43 VanDerWaalsContact O-N 3.11Å; E40-R43 WeakPolarHBondContact OE2-CD 3.35Å; E40-R43 IonicContact OE2-CZ 3.65Å; E40-R43 IonicContact OE2-NE 3.84Å; E40-R43 IonicContact OE2-NH1 2.81Å; E40-R43 PolarHBondContact OE2-NH1 2.97Å; E40-N44 PolarHBondContact O-N 3.35Å; E40-T45 WeakPolarHBondContact CA-O 3.35Å; E40-T45 WeakPolarHBondContact CB-O 3.45Å; E40-T45 PolarHBondContact N-O 3.1Å; E40-T45 PolarHBondContact O-N 2.95Å; E40-T45 VanDerWaalsContact O-N 3.15Å
41R93.6Very high94.4Very high104 Ų10463.5 Ų63.539%0.39232%0.318SS..THydrogen-bonded Turntrans-62-27.7-175.4-58.2-65.4-177.4171.92.8114.1M39 R43 N44 T62 S65M39-R41 PolarHBondContact O-N 3.45Å; M39-R41 VanDerWaalsContact O-N 3.16Å; R41-R43 PolarHBondContact O-N 3.06Å; R41-N44 PolarHBondContact O-N 3.44Å; R41-T62 PolarHBondContact NH1-O 2.9Å; R41-S65 PolarHBondContact NH1-O 2.99Å; R41-S65 PolarHBondContact NH2-O 2.98Å
42S95Very high94.6Very high102 Ų10261.9 Ų61.971%0.71332%0.315SS*.THydrogen-bonded Turntrans-65.8-28.3176.850.70000113E40E40-S42 PolarHBondContact O-N 2.94Å
43R95Very high94.7Very high160 Ų16056.8 Ų56.860%0.60430%0.297SS*.THydrogen-bonded Turntrans-109.21.5-179.9-67.8177.259.2-149.55.9112.7E40 R41 T45E40-R43 HydrophobicContact CG-CB 4.15Å; E40-R43 HydrophobicContact CG-CG 4.32Å; E40-R43 PolarHBondContact O-N 2.8Å; E40-R43 VanDerWaalsContact O-N 3.11Å; E40-R43 WeakPolarHBondContact OE2-CD 3.35Å; E40-R43 IonicContact OE2-CZ 3.65Å; E40-R43 IonicContact OE2-NE 3.84Å; E40-R43 IonicContact OE2-NH1 2.81Å; E40-R43 PolarHBondContact OE2-NH1 2.97Å; R41-R43 PolarHBondContact O-N 3.06Å; R43-T45 PolarHBondContact O-N 2.99Å; R43-T45 PolarHBondContact O-OG1 3.09Å; R43-T45 VanDerWaalsContact O-OG1 3.12Å
44N96.4Very high94.9Very high89 Ų8958.9 Ų58.948%0.47631%0.312SS..THydrogen-bonded Turntrans52.640.5-173.7-6896.1000111.8E40 R41 P60 I61E40-N44 PolarHBondContact O-N 3.35Å; R41-N44 PolarHBondContact O-N 3.44Å; N44-P60 CarbonylContact O-C 3.58Å; N44-P60 WeakPolarHBondContact O-CA 3.31Å; N44-I61 VanDerWaalsContact C-CG1 3.45Å; N44-I61 WeakPolarHBondContact CB-O 3.33Å; N44-I61 PolarHBondContact ND2-O 2.76Å; N44-I61 VanDerWaalsContact ND2-O 3.14Å; N44-I61 PolarHBondContact O-N 2.86Å
45T97.4Very high95Very high26 Ų2662.8 Ų62.816%0.1633%0.329CS..EExtended strand (participates in β ladder)trans-126128.9-179.1-48.20000110.8E40 R43 V47 Q58 I61E40-T45 WeakPolarHBondContact CA-O 3.35Å; E40-T45 WeakPolarHBondContact CB-O 3.45Å; E40-T45 PolarHBondContact N-O 3.1Å; E40-T45 PolarHBondContact O-N 2.95Å; E40-T45 VanDerWaalsContact O-N 3.15Å; R43-T45 PolarHBondContact O-N 2.99Å; R43-T45 PolarHBondContact O-OG1 3.09Å; R43-T45 VanDerWaalsContact O-OG1 3.12Å; T45-V47 HydrophobicContact CG2-CG2 4.3Å; T45-Q58 HydrophobicContact CG2-CB 4.28Å; T45-I61 WeakPolarHBondContact O-CD1 3.36Å
46G96.7Very high95Very high0 Ų067.8 Ų67.80%035%0.353CS..EExtended strand (participates in β ladder)trans-97.9134167.300000109.2Q58 T59G46-Q58 WeakPolarHBondContact O-CA 3.42Å; G46-T59 PolarHBondContact N-O 2.88Å; G46-T59 PolarHBondContact O-N 3.19Å
47V96.3Very high95.2Very high18 Ų1866.3 Ų66.311%0.10934%0.343CS..EExtended strand (participates in β ladder)trans-120.6129.8177.1-175.40000108.2V37 K38 T45 E56 F57 Q58V37-V47 CarbonylContact C-O 3.55Å; V37-V47 WeakPolarHBondContact CA-O 3.27Å; K38-V47 HydrophobicContact CB-CB 4.41Å; K38-V47 PolarHBondContact N-O 3.24Å; K38-V47 PolarHBondContact O-N 3.11Å; T45-V47 HydrophobicContact CG2-CG2 4.3Å; V47-E56 HydrophobicContact CG1-CG 3.71Å; V47-F57 CarbonylContact C-O 3.58Å; V47-F57 WeakPolarHBondContact CA-O 3.4Å; V47-Q58 HydrophobicContact CB-CG 4.49Å; V47-Q58 HydrophobicContact CG1-CG 4.16Å; V47-Q58 HydrophobicContact CG2-CG 4.01Å
48I95.6Very high95.3Very high0 Ų070.1 Ų70.10%036%0.359CS..EExtended strand (participates in β ladder)trans-118.7136.1172.8-177.1162.4000109.5C35 D36 V37 E56 F57 V70 Y71 W74C35-I48 HydrophobicContact CB-CD1 4.05Å; C35-I48 HydrophobicContact CB-CG1 4.13Å; D36-I48 WeakPolarHBondContact O-CA 3.39Å; V37-I48 HydrophobicContact CG2-CB 4.17Å; V37-I48 HydrophobicContact CG2-CD1 3.79Å; V37-I48 HydrophobicContact CG2-CG1 3.95Å; I48-E56 CarbonylContact O-C 3.59Å; I48-E56 VanDerWaalsContact O-CA 3.31Å; I48-E56 WeakPolarHBondContact O-CA 3.15Å; I48-F57 HydrophobicContact CG2-CB 3.75Å; I48-F57 HydrophobicContact CG2-CD1 4.01Å; I48-F57 HydrophobicContact CG2-CG 4.4Å; I48-F57 PolarHBondContact N-O 3.38Å; I48-F57 PolarHBondContact O-N 2.97Å; I48-V70 HydrophobicContact CB-CG1 3.96Å; I48-V70 HydrophobicContact CG2-CG1 4.05Å; I48-Y71 HydrophobicContact CD1-CD2 3.71Å; I48-Y71 HydrophobicContact CD1-CG 4.44Å; I48-W74 HydrophobicContact CB-CE3 4.44Å; I48-W74 HydrophobicContact CD1-CD2 4.4Å; I48-W74 HydrophobicContact CD1-CE3 3.39Å; I48-W74 HydrophobicContact CD1-CZ3 3.64Å; I48-W74 HydrophobicContact CG1-CE3 3.79Å; I48-W74 HydrophobicContact CG1-CZ3 3.75Å; I48-W74 HydrophobicContact CG2-CB 4.06Å; I48-W74 HydrophobicContact CG2-CD2 3.74Å; I48-W74 HydrophobicContact CG2-CE3 3.78Å; I48-W74 HydrophobicContact CG2-CG 3.93Å; I48-W74 HydrophobicContact CG2-CZ3 4.35Å
49S95.4Very high95.4Very high44 Ų4464.2 Ų64.231%0.30833%0.334SS..EExtended strand (participates in β ladder)trans-138.6138.1-178.559.20000111.3C35 D36 E55C35-S49 WeakPolarHBondContact CA-O 3.36Å; D36-S49 PolarHBondContact N-O 3.13Å; D36-S49 PolarHBondContact O-N 3.19Å; S49-E55 CarbonylContact C-O 3.6Å; S49-E55 WeakPolarHBondContact CA-O 3.45Å
50C95.3Very high95.6Very high3 Ų367.4 Ų67.42%0.0236%0.358CS..EExtended strand (participates in β ladder)trans-90.8125.9172.3-176.10000111.5C26 C29 S34 V52 C53 L54 E55 W74C26-C50 HydrophobicContact CB-CB 4.27Å; C26-C50 VanDerWaalsContact SG-SG 3.68Å; C29-C50 VanDerWaalsContact SG-SG 3.6Å; S34-C50 WeakPolarHBondContact O-CA 3.39Å; S34-C50 PolarHBondContact OG-SG 3.04Å; C50-V52 PolarHBondContact O-N 2.89Å; C50-V52 PolarHBondContact SG-N 3.16Å; C50-V52 VanDerWaalsContact SG-N 3.38Å; C50-C53 VanDerWaalsContact CB-SG 3.52Å; C50-L54 WeakPolarHBondContact O-CA 3.38Å; C50-L54 PolarHBondContact O-N 2.81Å; C50-E55 PolarHBondContact N-O 3.39Å; C50-W74 HydrophobicContact CB-CH2 4.44Å
51S94.1Very high95.7Very high77 Ų7765.1 Ų65.154%0.53835%0.347SS..THydrogen-bonded Turntrans-71-13175.955.80000114.7S34S34-S51 PolarHBondContact O-N 2.94Å; S34-S51 PolarHBondContact O-OG 3.32Å
52V95.5Very high95.8Very high72 Ų7263.9 Ų63.944%0.43635%0.351SS..THydrogen-bonded Turntrans-99.1-56-177.11790000111.9H31 C50H31-V52 HydrophobicContact CB-CB 4.48Å; H31-V52 HydrophobicContact CB-CG2 3.99Å; C50-V52 PolarHBondContact O-N 2.89Å; C50-V52 PolarHBondContact SG-N 3.16Å; C50-V52 VanDerWaalsContact SG-N 3.38Å
53C95.6Very high95.7Very high51 Ų5168.1 Ų68.135%0.34535%0.353SS..THydrogen-bonded Turntrans-94.2-5.7-179.863.50000114.1C26 C29 C50 E55C26-C53 PolarHBondContact SG-SG 3.48Å; C29-C53 HydrophobicContact CB-CB 3.86Å; C50-C53 VanDerWaalsContact CB-SG 3.52Å; C53-E55 PolarHBondContact O-N 3.38Å
54L94Very high95.7Very high144 Ų14466.1 Ų66.175%0.75435%0.354SS*.  trans6415.5177.6-51.2176.7000115C50C50-L54 WeakPolarHBondContact O-CA 3.38Å; C50-L54 PolarHBondContact O-N 2.81Å
55E93.7Very high95.6Very high88 Ų8862.7 Ų62.741%0.41134%0.337SS..  trans-71.4140.7173.3-164.659.3-110.800110.8F28 S49 C50 C53 W74F28-E55 HydrophobicContact CD2-CB 4.19Å; F28-E55 HydrophobicContact CD2-CG 3.91Å; F28-E55 HydrophobicContact CE2-CB 4.44Å; F28-E55 HydrophobicContact CE2-CG 3.69Å; F28-E55 HydrophobicContact CG-CG 4.49Å; F28-E55 HydrophobicContact CZ-CG 4.05Å; S49-E55 CarbonylContact C-O 3.6Å; S49-E55 WeakPolarHBondContact CA-O 3.45Å; C50-E55 PolarHBondContact N-O 3.39Å; C53-E55 PolarHBondContact O-N 3.38Å; E55-W74 HydrophobicContact CB-CZ2 4.21Å; E55-W74 HydrophobicContact CG-CZ2 4.02Å
56E94.9Very high95.5Very high104 Ų10466.2 Ų66.249%0.48635%0.351SS..EExtended strand (participates in β ladder)trans-129.9142.1-179.5-175.5-178.3108.700110.9V47 I48 Q58V47-E56 HydrophobicContact CG1-CG 3.71Å; I48-E56 CarbonylContact O-C 3.59Å; I48-E56 VanDerWaalsContact O-CA 3.31Å; I48-E56 WeakPolarHBondContact O-CA 3.15Å; E56-Q58 PolarHBondContact OE1-NE2 3.12Å
57F96Very high95.3Very high51 Ų5168 Ų6822%0.22436%0.363CS..EExtended strand (participates in β ladder)trans-135.9148.8172.9175.9-104.3000111.8V47 I48 T59 D73 W74 A77V47-F57 CarbonylContact C-O 3.58Å; V47-F57 WeakPolarHBondContact CA-O 3.4Å; I48-F57 HydrophobicContact CG2-CB 3.75Å; I48-F57 HydrophobicContact CG2-CD1 4.01Å; I48-F57 HydrophobicContact CG2-CG 4.4Å; I48-F57 PolarHBondContact N-O 3.38Å; I48-F57 PolarHBondContact O-N 2.97Å; F57-T59 HydrophobicContact CE1-CG2 4.36Å; F57-D73 HydrophobicContact CE1-CB 4.18Å; F57-W74 HydrophobicContact CB-CB 4.48Å; F57-W74 HydrophobicContact CB-CD2 4.19Å; 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 3.73Å; F57-W74 HydrophobicContact CD1-CG 3.73Å; F57-W74 AromaticContact CD2-CD1 3.87Å; F57-W74 HydrophobicContact CE1-CB 3.96Å; F57-W74 HydrophobicContact CE1-CG 4.5Å; F57-W74 HydrophobicContact CG-CB 4.16Å; F57-W74 AromaticContact CG-CD1 3.31Å; F57-W74 AromaticContact CG-CG 3.85Å; F57-W74 HydrophobicContact CG-CG 3.85Å; F57-W74 AromaticContact CG-NE1 3.92Å; F57-A77 HydrophobicContact CE2-CB 3.64Å; F57-A77 HydrophobicContact CZ-CB 3.63Å
58Q96.9Very high95.2Very high108 Ų10870.2 Ų70.251%0.50538%0.376SS..EExtended strand (participates in β ladder)trans-129.1132.1-179.3-56.1-170.4-12.600110.1T45 G46 V47 E56T45-Q58 HydrophobicContact CG2-CB 4.28Å; G46-Q58 WeakPolarHBondContact O-CA 3.42Å; V47-Q58 HydrophobicContact CB-CG 4.49Å; V47-Q58 HydrophobicContact CG1-CG 4.16Å; V47-Q58 HydrophobicContact CG2-CG 4.01Å; E56-Q58 PolarHBondContact OE1-NE2 3.12Å
59T97.3Very high95.1Very high13 Ų1373.3 Ų73.38%0.0839%0.393CS..EExtended strand (participates in β ladder)trans-134.5146178.5-173.40000110.6G46 F57 I61 V70 D73G46-T59 PolarHBondContact N-O 2.88Å; G46-T59 PolarHBondContact O-N 3.19Å; F57-T59 HydrophobicContact CE1-CG2 4.36Å; T59-I61 HydrophobicContact CG2-CG2 4.36Å; T59-V70 HydrophobicContact CG2-CB 4.1Å; T59-V70 HydrophobicContact CG2-CG1 3.83Å; T59-V70 HydrophobicContact CG2-CG2 3.9Å; T59-D73 HydrophobicContact CG2-CB 4.16Å; T59-D73 WeakPolarHBondContact CG2-OD2 3.5Å; T59-D73 PolarHBondContact OG1-OD2 3.1Å
60P97.6Very high95.1Very high108 Ų10871.2 Ų71.270%0.70138%0.378SS*.EExtended strand (participates in β ladder)trans-62.8137.817126.7-35.8000111.8N44N44-P60 CarbonylContact O-C 3.58Å; N44-P60 WeakPolarHBondContact O-CA 3.31Å
61I97.5Very high95.2Very high6 Ų673.6 Ų73.63%0.03139%0.387CS..  trans-124.1149.5177.262170.8000112M39 N44 T45 T59 V70M39-I61 HydrophobicContact CB-CD1 4.07Å; M39-I61 HydrophobicContact CE-CB 4.28Å; M39-I61 HydrophobicContact CE-CD1 3.73Å; M39-I61 HydrophobicContact CE-CG2 4Å; M39-I61 HydrophobicContact SD-CD1 3.94Å; M39-I61 HydrophobicContact SD-CG2 4.36Å; N44-I61 VanDerWaalsContact C-CG1 3.45Å; N44-I61 WeakPolarHBondContact CB-O 3.33Å; N44-I61 PolarHBondContact ND2-O 2.76Å; N44-I61 VanDerWaalsContact ND2-O 3.14Å; N44-I61 PolarHBondContact O-N 2.86Å; T45-I61 WeakPolarHBondContact O-CD1 3.36Å; T59-I61 HydrophobicContact CG2-CG2 4.36Å; I61-V70 HydrophobicContact CG2-CG2 3.64Å
62T95.9Very high95.2Very high78 Ų7872.3 Ų72.348%0.47938%0.378SS..  trans-99-177.1172.272.60000110.6R41 L64 S65R41-T62 PolarHBondContact NH1-O 2.9Å; T62-L64 VanDerWaalsContact C-N 3.26Å; T62-L64 PolarHBondContact OG1-N 2.99Å; T62-S65 PolarHBondContact N-OG 3.27Å; T62-S65 PolarHBondContact OG1-N 2.91Å; T62-S65 PolarHBondContact OG1-OG 2.95Å; T62-S65 VanDerWaalsContact OG1-OG 3.09Å
63Y93.4Very high95.3Very high191 Ų19171.8 Ų71.875%0.74937%0.373SS*.SBendtrans-70.3-26.8173.6101.5-95.9000112.5
64L94.8Very high95.3Very high118 Ų11869.6 Ų69.662%0.61836%0.357SS*.SBendtrans-81.4-19.3-180-69.8172000112.4T62T62-L64 VanDerWaalsContact C-N 3.26Å; T62-L64 PolarHBondContact OG1-N 2.99Å
65S94.8Very high95.4Very high17 Ų1764.5 Ų64.512%0.11933%0.33CS..  trans-63.1138-176-57.50000111.4M39 R41 T62 D69M39-S65 WeakPolarHBondContact CE-O 3.32Å; R41-S65 PolarHBondContact NH1-O 2.99Å; R41-S65 PolarHBondContact NH2-O 2.98Å; T62-S65 PolarHBondContact N-OG 3.27Å; T62-S65 PolarHBondContact OG1-N 2.91Å; T62-S65 PolarHBondContact OG1-OG 2.95Å; T62-S65 VanDerWaalsContact OG1-OG 3.09Å; S65-D69 WeakPolarHBondContact CA-OD2 3.27Å
66E93.9Very high95.5Very high100 Ų10064.6 Ų64.647%0.46733%0.334SS..  trans-109162.5174.8-63.1-165.1124.400110.4V68 D69E66-V68 HydrophobicContact CB-CG1 4.04Å; E66-V68 PolarHBondContact O-N 3.23Å; E66-V68 VanDerWaalsContact O-N 3.12Å; E66-D69 PolarHBondContact N-OD2 3.09Å; E66-D69 WeakPolarHBondContact O-CB 3.37Å; E66-D69 PolarHBondContact O-N 2.86Å
67P92.9Very high95.5Very high36 Ų3661.4 Ų61.423%0.23433%0.325CS..Hα-helixtrans-55.1-29178.3-29.437.5000114.6T22 F24 V37 M39 D69 V70 Y71T22-P67 HydrophobicContact CG2-CG 4.3Å; F24-P67 HydrophobicContact CE2-CB 4.11Å; F24-P67 HydrophobicContact CZ-CB 4.24Å; V37-P67 HydrophobicContact CB-CB 4.04Å; V37-P67 HydrophobicContact CG1-CB 3.97Å; V37-P67 HydrophobicContact CG2-CB 4.37Å; M39-P67 HydrophobicContact CG-CG 4.31Å; P67-D69 VanDerWaalsContact C-N 3.31Å; P67-V70 PolarHBondContact O-N 3.15Å; P67-Y71 PolarHBondContact O-N 3.41Å
68V93.8Very high95.3Very high65 Ų6559.9 Ų59.939%0.39432%0.321SS..Hα-helixtrans-66.9-30.8175.9650000112.7F24 E66 Y71 S72F24-V68 HydrophobicContact CE1-CB 4.18Å; F24-V68 HydrophobicContact CE1-CG2 4.23Å; F24-V68 HydrophobicContact CZ-CB 4.17Å; E66-V68 HydrophobicContact CB-CG1 4.04Å; E66-V68 PolarHBondContact O-N 3.23Å; E66-V68 VanDerWaalsContact O-N 3.12Å; V68-Y71 PolarHBondContact O-N 2.86Å; V68-S72 PolarHBondContact O-N 3.47Å; V68-S72 PolarHBondContact O-OG 3.26Å
69D94.9Very high95.1Very high66 Ų6661 Ų6135%0.35333%0.326SS..Hα-helixtrans-66.3-43.5176.3-59.1-37.3000109.8S65 E66 P67 Y71 S72 D73S65-D69 WeakPolarHBondContact CA-OD2 3.27Å; E66-D69 PolarHBondContact N-OD2 3.09Å; E66-D69 WeakPolarHBondContact O-CB 3.37Å; E66-D69 PolarHBondContact O-N 2.86Å; P67-D69 VanDerWaalsContact C-N 3.31Å; D69-Y71 VanDerWaalsContact C-N 3.31Å; D69-Y71 PolarHBondContact O-N 3.04Å; D69-S72 PolarHBondContact O-N 3.02Å; D69-S72 VanDerWaalsContact O-N 3.16Å; D69-D73 PolarHBondContact O-N 3.33Å
70V95.4Very high95Very high0 Ų065.1 Ų65.10%035%0.351CS..Hα-helixtrans-61.6-40.2176.6176.80000111.7V37 M39 I48 T59 I61 P67 W74V37-V70 HydrophobicContact CG1-CB 3.99Å; V37-V70 HydrophobicContact CG1-CG1 4.02Å; V37-V70 HydrophobicContact CG1-CG2 4.21Å; M39-V70 HydrophobicContact CE-CG2 4.13Å; M39-V70 HydrophobicContact SD-CG2 3.6Å; M39-V70 VanDerWaalsContact SD-CG2 3.6Å; I48-V70 HydrophobicContact CB-CG1 3.96Å; I48-V70 HydrophobicContact CG2-CG1 4.05Å; T59-V70 HydrophobicContact CG2-CB 4.1Å; T59-V70 HydrophobicContact CG2-CG1 3.83Å; T59-V70 HydrophobicContact CG2-CG2 3.9Å; I61-V70 HydrophobicContact CG2-CG2 3.64Å; P67-V70 PolarHBondContact O-N 3.15Å; V70-W74 PolarHBondContact O-N 3.31Å; V70-W74 VanDerWaalsContact O-N 3.13Å
71Y95.8Very high94.6Very high52 Ų5263.9 Ų63.920%0.20435%0.35CS..Hα-helixtrans-64.7-43.9175.3177-106.3000111.6F24 T25 I48 P67 V68 D69 W74 I75F24-Y71 HydrophobicContact CB-CD1 4.4Å; F24-Y71 HydrophobicContact CB-CD2 3.44Å; F24-Y71 VanDerWaalsContact CB-CD2 3.44Å; F24-Y71 HydrophobicContact CB-CE2 3.6Å; F24-Y71 HydrophobicContact CB-CG 3.87Å; F24-Y71 AromaticContact CD1-CD1 3.7Å; F24-Y71 HydrophobicContact CD1-CD1 3.7Å; F24-Y71 HydrophobicContact CD1-CD2 4.12Å; F24-Y71 HydrophobicContact CD1-CE1 4.27Å; F24-Y71 AromaticContact CD1-CG 3.6Å; F24-Y71 HydrophobicContact CD1-CG 3.6Å; F24-Y71 HydrophobicContact CD2-CD2 4.46Å; F24-Y71 HydrophobicContact CD2-CG 4.37Å; F24-Y71 HydrophobicContact CE1-CD1 4.3Å; F24-Y71 HydrophobicContact CE1-CG 4.24Å; F24-Y71 HydrophobicContact CG-CD1 4.22Å; F24-Y71 AromaticContact CG-CD2 3.77Å; F24-Y71 HydrophobicContact CG-CD2 3.77Å; F24-Y71 HydrophobicContact CG-CE2 4.35Å; F24-Y71 AromaticContact CG-CG 3.68Å; F24-Y71 HydrophobicContact CG-CG 3.68Å; T25-Y71 WeakPolarHBondContact O-CE2 3.5Å; T25-Y71 PolarHBondContact O-OH 3.35Å; I48-Y71 HydrophobicContact CD1-CD2 3.71Å; I48-Y71 HydrophobicContact CD1-CG 4.44Å; P67-Y71 PolarHBondContact O-N 3.41Å; V68-Y71 PolarHBondContact O-N 2.86Å; D69-Y71 VanDerWaalsContact C-N 3.31Å; D69-Y71 PolarHBondContact O-N 3.04Å; Y71-W74 HydrophobicContact CD2-CE3 4.26Å; Y71-W74 HydrophobicContact CE2-CE3 4.48Å; Y71-W74 WeakPolarHBondContact O-CB 3.49Å; Y71-W74 PolarHBondContact O-N 3.15Å; Y71-I75 HydrophobicContact CD1-CG1 4.46Å; Y71-I75 HydrophobicContact CE1-CD1 4.37Å; Y71-I75 HydrophobicContact CE1-CG1 4.02Å; Y71-I75 HydrophobicContact CE2-CD1 3.98Å; Y71-I75 HydrophobicContact CE2-CG1 4.32Å; Y71-I75 WeakPolarHBondContact O-CG1 3.16Å; Y71-I75 PolarHBondContact O-N 2.87Å; Y71-I75 VanDerWaalsContact O-N 3.11Å
72S95.3Very high94.1Very high51 Ų5170.2 Ų70.236%0.35738%0.383SS..Hα-helixtrans-63.3-46.1179.3-53.40000111.4V68 D69 W74 I75 D76V68-S72 PolarHBondContact O-N 3.47Å; V68-S72 PolarHBondContact O-OG 3.26Å; D69-S72 PolarHBondContact O-N 3.02Å; D69-S72 VanDerWaalsContact O-N 3.16Å; S72-W74 PolarHBondContact O-N 3.25Å; S72-I75 PolarHBondContact O-N 3.38Å; S72-I75 VanDerWaalsContact O-N 3.09Å; S72-D76 PolarHBondContact O-N 3.3Å
73D96.9Very high93Very high60 Ų6077.2 Ų77.232%0.32141%0.411SS..Hα-helixtrans-56.7-36.8174.5-73.5-8.8000112.1F57 T59 D69 A77F57-D73 HydrophobicContact CE1-CB 4.18Å; T59-D73 HydrophobicContact CG2-CB 4.16Å; T59-D73 WeakPolarHBondContact CG2-OD2 3.5Å; T59-D73 PolarHBondContact OG1-OD2 3.1Å; D69-D73 PolarHBondContact O-N 3.33Å; D73-A77 VanDerWaalsContact O-CB 3.27Å; D73-A77 WeakPolarHBondContact O-CB 3.49Å; D73-A77 PolarHBondContact O-N 3Å
74W95.9Very high93Very high5 Ų571.6 Ų71.62%0.01939%0.394CS..Hα-helixtrans-68-41.4177.5-171.926.5000112.1P27 F28 C35 I48 C50 E55 F57 V70 Y71 S72 A77 C78P27-W74 HydrophobicContact CG-CD2 4.37Å; P27-W74 HydrophobicContact CG-CE3 4.28Å; P27-W74 HydrophobicContact CG-CH2 4.45Å; P27-W74 HydrophobicContact CG-CZ2 4.47Å; P27-W74 HydrophobicContact CG-CZ3 4.33Å; F28-W74 HydrophobicContact CD2-CH2 4.36Å; F28-W74 AromaticContact CD2-CZ2 3.81Å; F28-W74 HydrophobicContact CD2-CZ2 3.81Å; F28-W74 AromaticContact CE2-CE2 3.73Å; F28-W74 HydrophobicContact CE2-CH2 4.43Å; F28-W74 AromaticContact CE2-CZ2 3.51Å; F28-W74 HydrophobicContact CE2-CZ2 3.51Å; F28-W74 AromaticContact CE2-NE1 3.7Å; C35-W74 HydrophobicContact CB-CZ3 4.28Å; C35-W74 VanDerWaalsContact SG-CZ3 3.53Å; I48-W74 HydrophobicContact CB-CE3 4.44Å; I48-W74 HydrophobicContact CD1-CD2 4.4Å; I48-W74 HydrophobicContact CD1-CE3 3.39Å; I48-W74 HydrophobicContact CD1-CZ3 3.64Å; I48-W74 HydrophobicContact CG1-CE3 3.79Å; I48-W74 HydrophobicContact CG1-CZ3 3.75Å; I48-W74 HydrophobicContact CG2-CB 4.06Å; I48-W74 HydrophobicContact CG2-CD2 3.74Å; I48-W74 HydrophobicContact CG2-CE3 3.78Å; I48-W74 HydrophobicContact CG2-CG 3.93Å; I48-W74 HydrophobicContact CG2-CZ3 4.35Å; C50-W74 HydrophobicContact CB-CH2 4.44Å; E55-W74 HydrophobicContact CB-CZ2 4.21Å; E55-W74 HydrophobicContact CG-CZ2 4.02Å; F57-W74 HydrophobicContact CB-CB 4.48Å; F57-W74 HydrophobicContact CB-CD2 4.19Å; 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 3.73Å; F57-W74 HydrophobicContact CD1-CG 3.73Å; F57-W74 AromaticContact CD2-CD1 3.87Å; F57-W74 HydrophobicContact CE1-CB 3.96Å; F57-W74 HydrophobicContact CE1-CG 4.5Å; F57-W74 HydrophobicContact CG-CB 4.16Å; F57-W74 AromaticContact CG-CD1 3.31Å; F57-W74 AromaticContact CG-CG 3.85Å; F57-W74 HydrophobicContact CG-CG 3.85Å; F57-W74 AromaticContact CG-NE1 3.92Å; V70-W74 PolarHBondContact O-N 3.31Å; V70-W74 VanDerWaalsContact O-N 3.13Å; Y71-W74 HydrophobicContact CD2-CE3 4.26Å; Y71-W74 HydrophobicContact CE2-CE3 4.48Å; Y71-W74 WeakPolarHBondContact O-CB 3.49Å; Y71-W74 PolarHBondContact O-N 3.15Å; S72-W74 PolarHBondContact O-N 3.25Å; W74-A77 PolarHBondContact O-N 2.91Å; W74-C78 PolarHBondContact O-N 3.44Å; W74-C78 PolarHBondContact O-SG 3.22Å
75I95.7Very high92.9Very high37 Ų3769.1 Ų69.119%0.1938%0.382CS..Hα-helixtrans-61.4-50175.1-59.7-52.6000110.1P27 Y71 S72 A77 C78 E79P27-I75 HydrophobicContact CB-CD1 3.67Å; P27-I75 HydrophobicContact CG-CD1 3.76Å; Y71-I75 HydrophobicContact CD1-CG1 4.46Å; Y71-I75 HydrophobicContact CE1-CD1 4.37Å; Y71-I75 HydrophobicContact CE1-CG1 4.02Å; Y71-I75 HydrophobicContact CE2-CD1 3.98Å; Y71-I75 HydrophobicContact CE2-CG1 4.32Å; Y71-I75 WeakPolarHBondContact O-CG1 3.16Å; Y71-I75 PolarHBondContact O-N 2.87Å; Y71-I75 VanDerWaalsContact O-N 3.11Å; S72-I75 PolarHBondContact O-N 3.38Å; S72-I75 VanDerWaalsContact O-N 3.09Å; I75-A77 VanDerWaalsContact C-N 3.31Å; I75-A77 PolarHBondContact O-N 2.8Å; I75-C78 WeakPolarHBondContact O-CB 3.44Å; I75-C78 PolarHBondContact O-N 3.26Å; I75-E79 PolarHBondContact O-N 3.21Å
76D95.9Very high92.8Very high91 Ų9172 Ų7249%0.48740%0.397SS..Hα-helixtrans-59.1-43179.4-68.4-11.4000111.2S72 C78 E79 V80S72-D76 PolarHBondContact O-N 3.3Å; D76-C78 VanDerWaalsContact C-N 3.34Å; D76-C78 PolarHBondContact O-N 3.24Å; D76-E79 PolarHBondContact O-N 3.37Å; D76-V80 VanDerWaalsContact O-CG2 3.31Å; D76-V80 WeakPolarHBondContact O-CG2 3.47Å; D76-V80 PolarHBondContact O-N 3.44Å
77A94.5Very high92.7Very high37 Ų3770.4 Ų70.431%0.30639%0.393SS..Hα-helixtrans-63.2-37.8175.900000112.7F57 D73 W74 I75 A81F57-A77 HydrophobicContact CE2-CB 3.64Å; F57-A77 HydrophobicContact CZ-CB 3.63Å; D73-A77 VanDerWaalsContact O-CB 3.27Å; D73-A77 WeakPolarHBondContact O-CB 3.49Å; D73-A77 PolarHBondContact O-N 3Å; W74-A77 PolarHBondContact O-N 2.91Å; I75-A77 VanDerWaalsContact C-N 3.31Å; I75-A77 PolarHBondContact O-N 2.8Å; A77-A81 WeakPolarHBondContact O-CB 3.47Å; A77-A81 PolarHBondContact O-N 3.37Å
78C92.9Very high92.7Very high18 Ų1872.5 Ų72.512%0.12240%0.403CS..Hα-helixtrans-66.2-40.6174.9-68.30000111.9F28 W74 I75 D76 A81 N82F28-C78 WeakPolarHBondContact CZ-SG 3.4Å; W74-C78 PolarHBondContact O-N 3.44Å; W74-C78 PolarHBondContact O-SG 3.22Å; I75-C78 WeakPolarHBondContact O-CB 3.44Å; I75-C78 PolarHBondContact O-N 3.26Å; D76-C78 VanDerWaalsContact C-N 3.34Å; D76-C78 PolarHBondContact O-N 3.24Å; C78-A81 PolarHBondContact O-N 3.05Å; C78-N82 PolarHBondContact O-N 3.28Å; C78-N82 PolarHBondContact O-ND2 2.92Å
79E92.8Very high92.6Very high131 Ų13173 Ų7361%0.61240%0.403SS*.Hα-helixtrans-64.6-45.3177.4-69.3-176175.600111.4I75 D76 A81 N82I75-E79 PolarHBondContact O-N 3.21Å; D76-E79 PolarHBondContact O-N 3.37Å; E79-A81 VanDerWaalsContact C-N 3.35Å; E79-A81 PolarHBondContact O-N 2.89Å; E79-N82 PolarHBondContact O-N 2.67Å
80V93.7Very high92.5Very high101 Ų10173.5 Ų73.561%0.61241%0.407SS*.Hα-helixtrans-63.1-391781720000112D76 N82 Q83D76-V80 VanDerWaalsContact O-CG2 3.31Å; D76-V80 WeakPolarHBondContact O-CG2 3.47Å; D76-V80 PolarHBondContact O-N 3.44Å; V80-N82 PolarHBondContact O-N 3.22Å; V80-Q83 PolarHBondContact O-N 3.11Å
81A90.7Very high92.2Very high81 Ų8179.2 Ų79.267%0.66944%0.438SS*.Hα-helixtrans-69.8-21179.300000113.7A77 C78 E79A77-A81 WeakPolarHBondContact O-CB 3.47Å; A77-A81 PolarHBondContact O-N 3.37Å; C78-A81 PolarHBondContact O-N 3.05Å; E79-A81 VanDerWaalsContact C-N 3.35Å; E79-A81 PolarHBondContact O-N 2.89Å
82N85.3Confident91.9Very high139 Ų13981.4 Ų81.474%0.74346%0.458SS*.THydrogen-bonded Turntrans-98.29.1-179.1-72-48.9000113.5C78 E79 V80C78-N82 PolarHBondContact O-N 3.28Å; C78-N82 PolarHBondContact O-ND2 2.92Å; E79-N82 PolarHBondContact O-N 2.67Å; V80-N82 PolarHBondContact O-N 3.22Å
83Q73.9Confident91.6Very high226 Ų22684.2 Ų84.2100%1.05647%0.467SS*.  trans-90.40175.7-164.51746.900111.8V80V80-Q83 PolarHBondContact O-N 3.11Å

Retrieved 83 of 83 residues in 329 ms (Link to these results)