A0A087XHH8_POEFO Loading...

RING finger protein 122

May induce necrosis and apoptosis. May play a role in cell viability.

AlphaFold DB , UniProt , Accession A0A087XHH8, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 155 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
1M43.7Very low42.8Very low240 Ų240164.5 Ų164.5100%1.18285%0.852SS**  0102.80-70.4165.8174.900107.6
2H43Very low42.9Very low173 Ų173161.3 Ų161.380%0.80185%0.852SS**  trans-133.7145.2166.2-76.5-80.6000106.8
3P44.5Very low43.1Very low117 Ų117152.8 Ų152.876%0.7683%0.828SS**  trans-76.8131.5-162.230-32.6000111.4Q5P3-Q5 PolarHBondContact O-N 2.97Å
4F38.4Very low43.1Very low202 Ų202154.8 Ų154.889%0.88684%0.836SS**  trans-74.5107.1170.2-72-86.8000108.8
5Q45Very low43.7Very low178 Ų178149.5 Ų149.583%0.83283%0.832SS**  trans-95.9104.9173.5-163.9162.6-23.500109P3P3-Q5 PolarHBondContact O-N 2.97Å
6W38.9Very low43.2Very low238 Ų238148.6 Ų148.690%0.90283%0.831SS**  trans-73.6120.7171.5-105.654000109.6
7C39.9Very low42.8Very low105 Ų105147.6 Ų147.671%0.70983%0.83SS**  trans-134.1110.7163.9-107.60000108.7G9C7-G9 PolarHBondContact O-N 2.81Å
8N46.4Very low43.1Very low155 Ų155150.9 Ų150.983%0.82983%0.828SS**THydrogen-bonded Turntrans47.456.6159.5-61.7-49.2000117.6C10N8-C10 PolarHBondContact O-N 2.8Å
9G48Very low42.8Very low76 Ų76148.8 Ų148.878%0.78483%0.826SS**THydrogen-bonded Turntrans69.510.4139.100000120.3C7C7-G9 PolarHBondContact O-N 2.81Å
10C43.3Very low43.1Very low113 Ų113148.4 Ų148.476%0.76482%0.822SS**  trans-108.7118.7176.6-81.80000112.4N8N8-C10 PolarHBondContact O-N 2.8Å
11F39.1Very low43.1Very low212 Ų212150.4 Ų150.493%0.9382%0.823SS**  trans-93.989.9171.3-144.1-90.9000108.8G13F11-G13 PolarHBondContact O-N 3.07Å
12C44.3Very low43.1Very low126 Ų126144.4 Ų144.485%0.85180%0.804SS**  trans-86.494.3173.5-71.90000109.4
13G46Very low43.3Very low52 Ų52142.6 Ų142.654%0.53681%0.809SS.*  trans-85.6141166.200000111.2F11F11-G13 PolarHBondContact O-N 3.07Å
14L43.5Very low43.7Very low180 Ų180142.9 Ų142.994%0.94281%0.809SS**SBendtrans79.9105.5179.9-67.996.4000115.4
15G51.3Low44.3Very low75 Ų75141.4 Ų141.477%0.77381%0.807SS**  trans-75.8146.7-173.300000114.4
16V36Very low44.7Very low135 Ų135138 Ų13882%0.81880%0.801SS**  trans-158119.1142.21680000107.3
17V36.9Very low45.2Very low133 Ų133131.9 Ų131.981%0.80679%0.791SS**  trans50.9121.7146.3-175.40000120.6
18Y47.9Very low45.8Very low206 Ų206134.5 Ų134.581%0.80880%0.796SS**  trans-52.3123.9162.4-158.6-95.6000112.8
19S37.2Very low46Very low112 Ų112130.5 Ų130.578%0.78378%0.778SS**  trans-156.4121.8151.9-147.70000112.3K21S19-K21 PolarHBondContact O-N 2.89Å
20N48.5Very low46.3Very low139 Ų139137 Ų13774%0.74379%0.785SS**  trans-38.1107.3175.8-91.6-85.7000114.2
21K42.6Very low46.9Very low192 Ų192139.8 Ų139.884%0.83579%0.787SS**  trans-143.7120.1153.1-68.1-173.7-177.7166.40108.4S19 C23S19-K21 PolarHBondContact O-N 2.89Å; K21-C23 PolarHBondContact O-N 3.18Å; K21-C23 VanDerWaalsContact O-N 3.09Å
22S45.2Very low47.6Very low114 Ų114136 Ų13680%0.79778%0.776SS**  trans-49.7112.4178.8-45.50000110.8T24S22-T24 PolarHBondContact O-N 2.92Å; S22-T24 PolarHBondContact O-OG1 2.87Å
23C45.6Very low48.5Very low134 Ų134135.1 Ų135.191%0.90576%0.762SS**  trans-68.483172-62.70000109.1K21K21-C23 PolarHBondContact O-N 3.18Å; K21-C23 VanDerWaalsContact O-N 3.09Å
24T52.9Low49.8Very low123 Ų123136 Ų13676%0.75576%0.758SS**  trans-85.31101631.80000105.8S22 P26S22-T24 PolarHBondContact O-N 2.92Å; S22-T24 PolarHBondContact O-OG1 2.87Å; T24-P26 WeakPolarHBondContact O-CD 3.23Å
25M51.7Low51.3Low172 Ų172133 Ų13385%0.84774%0.743SS**PPolyproline II helixtrans-61123.2166.1-73.1-160.8157.800106.9
26P54.3Low52.3Low107 Ų107135.2 Ų135.270%0.69574%0.737SS**PPolyproline II helixtrans-57.9141.2167.925.4-30.9000107.3T24 I28T24-P26 WeakPolarHBondContact O-CD 3.23Å; P26-I28 PolarHBondContact O-N 3.29Å; P26-I28 VanDerWaalsContact O-N 3.15Å
27P48.9Very low54.6Low109 Ų109132.3 Ų132.371%0.70872%0.716SS**PPolyproline II helixtrans-56.7126.5178.424.4-32.3000107.8T29P27-T29 PolarHBondContact O-N 2.91Å
28I52.6Low56.9Low159 Ų159131.6 Ų131.682%0.81570%0.7SS**  trans-67.590.8175.8-43.5169.7000105.7P26 F30P26-I28 PolarHBondContact O-N 3.29Å; P26-I28 VanDerWaalsContact O-N 3.15Å; I28-F30 PolarHBondContact O-N 2.82Å
29T51.2Low58.6Low71 Ų71127.3 Ų127.344%0.43669%0.689SS.*  trans-64.7123.9173.142.60000106.9P27 Q31P27-T29 PolarHBondContact O-N 2.91Å; T29-Q31 PolarHBondContact O-N 3.46Å
30F52.8Low61.1Low213 Ų213126.4 Ų126.493%0.93468%0.678SS**THydrogen-bonded Turntrans-58.43.9176.8-126.3-100.8000114I28I28-F30 PolarHBondContact O-N 2.82Å
31Q56.3Low63.1Low171 Ų171124.4 Ų124.480%0.79967%0.666SS**THydrogen-bonded Turntrans-102.3-8.8-169-81.6173.3-55.500114.8T29T29-Q31 PolarHBondContact O-N 3.46Å
32D54.6Low65.5Low132 Ų132119.9 Ų119.971%0.70665%0.647SS**  trans-118.320-178.7-66-60.6000114.2P34D32-P34 VanDerWaalsContact O-CD 3.31Å; D32-P34 WeakPolarHBondContact O-CD 3.45Å
33L62Low67.8Low108 Ų108116.2 Ų116.257%0.56563%0.627SS**SBendtrans-72.9114.3162.8-15769.9000106.5L35 I37L33-L35 PolarHBondContact O-N 3.21Å; L33-I37 HydrophobicContact CD1-CD1 3.88Å; L33-I37 HydrophobicContact CD1-CG2 4.47Å; L33-I37 HydrophobicContact CD2-CB 4.22Å; L33-I37 HydrophobicContact CD2-CG2 3.65Å; L33-I37 HydrophobicContact CG-CB 4.05Å; L33-I37 HydrophobicContact CG-CD1 4.06Å; L33-I37 HydrophobicContact CG-CG2 3.96Å
34P74.3Confident70.1Confident70 Ų70113.5 Ų113.546%0.45561%0.607SS.*  trans-52.5132.9-172.418.8-32000109.3D32 N36 I37D32-P34 VanDerWaalsContact O-CD 3.31Å; D32-P34 WeakPolarHBondContact O-CD 3.45Å; P34-N36 CarbonylContact O-C 3.47Å; P34-N36 PolarHBondContact O-N 3.5Å; P34-I37 HydrophobicContact CG-CD1 3.6Å; P34-I37 HydrophobicContact CG-CG1 3.89Å; P34-I37 PolarHBondContact O-N 3.28Å
35L75.6Confident72.2Confident119 Ų119109.6 Ų109.662%0.62359%0.59SS**Hα-helixtrans-44.1-30.7-178.9-168.973.7000112.4L33 I37 Y38 M39L33-L35 PolarHBondContact O-N 3.21Å; L35-I37 PolarHBondContact O-N 3.45Å; L35-Y38 WeakPolarHBondContact O-CB 3.38Å; L35-Y38 PolarHBondContact O-N 3.14Å; L35-M39 HydrophobicContact CD2-CE 4.37Å; L35-M39 HydrophobicContact CG-CE 4.27Å; L35-M39 WeakPolarHBondContact O-CG 3.47Å; L35-M39 PolarHBondContact O-N 2.86Å
36N72.3Confident74.3Confident121 Ų121106.5 Ų106.565%0.64758%0.576SS**Hα-helixtrans-55.6-42.7173.2-63.5-2.3000113.8P34 M39 V40P34-N36 CarbonylContact O-C 3.47Å; P34-N36 PolarHBondContact O-N 3.5Å; N36-M39 PolarHBondContact O-N 3Å; N36-V40 VanDerWaalsContact O-CG2 3.3Å; N36-V40 WeakPolarHBondContact O-CG2 3.14Å; N36-V40 PolarHBondContact O-N 2.82Å
37I83.8Confident76.3Confident73 Ų73107.4 Ų107.437%0.37457%0.57SS.*Hα-helixtrans-68.7-39.8178.4-65.8174.9000110.4L33 P34 L35 V40 I41L33-I37 HydrophobicContact CD1-CD1 3.88Å; L33-I37 HydrophobicContact CD1-CG2 4.47Å; L33-I37 HydrophobicContact CD2-CB 4.22Å; L33-I37 HydrophobicContact CD2-CG2 3.65Å; L33-I37 HydrophobicContact CG-CB 4.05Å; L33-I37 HydrophobicContact CG-CD1 4.06Å; L33-I37 HydrophobicContact CG-CG2 3.96Å; P34-I37 HydrophobicContact CG-CD1 3.6Å; P34-I37 HydrophobicContact CG-CG1 3.89Å; P34-I37 PolarHBondContact O-N 3.28Å; L35-I37 PolarHBondContact O-N 3.45Å; I37-V40 PolarHBondContact O-N 3.09Å; I37-I41 HydrophobicContact CG2-CD1 3.75Å; I37-I41 HydrophobicContact CG2-CG1 4.35Å; I37-I41 WeakPolarHBondContact O-CG1 3.47Å; I37-I41 PolarHBondContact O-N 3.25Å
38Y85Confident78.5Confident119 Ų119106.3 Ų106.347%0.46756%0.561SS.*Hα-helixtrans-60.1-48.4172.7-177.4-83.9000110.5L35 V40 I41 F42L35-Y38 WeakPolarHBondContact O-CB 3.38Å; L35-Y38 PolarHBondContact O-N 3.14Å; Y38-V40 PolarHBondContact O-N 3.26Å; Y38-I41 PolarHBondContact O-N 2.82Å; Y38-I41 VanDerWaalsContact O-N 3.14Å; Y38-F42 AromaticContact CD1-CD2 3.52Å; Y38-F42 HydrophobicContact CD1-CD2 3.52Å; Y38-F42 AromaticContact CD1-CE2 3.96Å; Y38-F42 HydrophobicContact CD1-CE2 3.96Å; Y38-F42 HydrophobicContact CD1-CG 4.15Å; Y38-F42 AromaticContact CD2-CD2 3.62Å; Y38-F42 HydrophobicContact CD2-CD2 3.62Å; Y38-F42 AromaticContact CD2-CE2 3.23Å; Y38-F42 HydrophobicContact CD2-CE2 3.23Å; Y38-F42 HydrophobicContact CD2-CZ 4.13Å; Y38-F42 HydrophobicContact CE1-CB 4.45Å; Y38-F42 HydrophobicContact CE1-CD1 4.21Å; Y38-F42 AromaticContact CE1-CD2 3.36Å; Y38-F42 HydrophobicContact CE1-CD2 3.36Å; Y38-F42 HydrophobicContact CE1-CE1 4.36Å; Y38-F42 AromaticContact CE1-CE2 3.61Å; Y38-F42 HydrophobicContact CE1-CE2 3.61Å; Y38-F42 AromaticContact CE1-CG 3.71Å; Y38-F42 HydrophobicContact CE1-CG 3.71Å; Y38-F42 HydrophobicContact CE1-CZ 4.08Å; Y38-F42 AromaticContact CE2-CD2 3.51Å; Y38-F42 HydrophobicContact CE2-CD2 3.51Å; Y38-F42 HydrophobicContact CE2-CE1 4.26Å; Y38-F42 AromaticContact CE2-CE2 2.85Å; Y38-F42 HydrophobicContact CE2-CE2 2.85Å; Y38-F42 HydrophobicContact CE2-CG 4.46Å; Y38-F42 AromaticContact CE2-CZ 3.29Å; Y38-F42 HydrophobicContact CE2-CZ 3.29Å; Y38-F42 AromaticContact CG-CD2 3.63Å; Y38-F42 HydrophobicContact CG-CD2 3.63Å; Y38-F42 AromaticContact CG-CE2 3.78Å; Y38-F42 HydrophobicContact CG-CE2 3.78Å; Y38-F42 AromaticContact CZ-CD2 3.35Å; Y38-F42 AromaticContact CZ-CE1 3.75Å; Y38-F42 AromaticContact CZ-CE2 3.03Å; Y38-F42 AromaticContact CZ-CG 3.88Å; Y38-F42 AromaticContact CZ-CZ 3.22Å; Y38-F42 WeakPolarHBondContact O-CB 3.38Å; Y38-F42 VanDerWaalsContact O-CD2 3.23Å; Y38-F42 WeakPolarHBondContact O-CD2 3.42Å; Y38-F42 PolarHBondContact O-N 3.37Å; Y38-F42 VanDerWaalsContact OH-CE1 3.3Å; Y38-F42 WeakPolarHBondContact OH-CE1 3.41Å; Y38-F42 WeakPolarHBondContact OH-CE2 3.49Å; Y38-F42 WeakPolarHBondContact OH-CZ 3.26Å
39M83.9Confident80.6Confident116 Ų116104.8 Ų104.857%0.57155%0.548SS*.Hα-helixtrans-58.5-34.5177.4-66.8-62.7-178.600112.9L35 N36 G43L35-M39 HydrophobicContact CD2-CE 4.37Å; L35-M39 HydrophobicContact CG-CE 4.27Å; L35-M39 WeakPolarHBondContact O-CG 3.47Å; L35-M39 PolarHBondContact O-N 2.86Å; N36-M39 PolarHBondContact O-N 3Å; M39-G43 WeakPolarHBondContact O-CA 3.34Å; M39-G43 PolarHBondContact O-N 2.98Å
40V89.8Confident82.7Confident93 Ų93105.1 Ų105.156%0.56455%0.547SS*.Hα-helixtrans-71.5-44.6175.5172.90000111.8N36 I37 Y38 G43 T44N36-V40 VanDerWaalsContact O-CG2 3.3Å; N36-V40 WeakPolarHBondContact O-CG2 3.14Å; N36-V40 PolarHBondContact O-N 2.82Å; I37-V40 PolarHBondContact O-N 3.09Å; Y38-V40 PolarHBondContact O-N 3.26Å; V40-G43 PolarHBondContact O-N 2.87Å; V40-T44 HydrophobicContact CG1-CG2 4.37Å; V40-T44 WeakPolarHBondContact O-CB 3.47Å; V40-T44 VanDerWaalsContact O-CG2 3.27Å; V40-T44 WeakPolarHBondContact O-CG2 3.06Å; V40-T44 PolarHBondContact O-N 3.38Å; V40-T44 PolarHBondContact O-OG1 3Å
41I90.4Very high84.6Confident96 Ų9699 Ų9949%0.49252%0.523SS..Hα-helixtrans-65.8-45.4179.6-66.1167.6000110.7I37 Y38 T44 G45I37-I41 HydrophobicContact CG2-CD1 3.75Å; I37-I41 HydrophobicContact CG2-CG1 4.35Å; I37-I41 WeakPolarHBondContact O-CG1 3.47Å; I37-I41 PolarHBondContact O-N 3.25Å; Y38-I41 PolarHBondContact O-N 2.82Å; Y38-I41 VanDerWaalsContact O-N 3.14Å; I41-T44 PolarHBondContact O-OG1 2.95Å; I41-T44 VanDerWaalsContact O-OG1 3.06Å; I41-G45 PolarHBondContact O-N 3.18Å
42F92.7Very high86.5Confident97 Ų9793.5 Ų93.543%0.42550%0.504SS..Hα-helixtrans-69.1-39.8177.7-79.6-96000111.4Y38 G45 I46Y38-F42 AromaticContact CD1-CD2 3.52Å; Y38-F42 HydrophobicContact CD1-CD2 3.52Å; Y38-F42 AromaticContact CD1-CE2 3.96Å; Y38-F42 HydrophobicContact CD1-CE2 3.96Å; Y38-F42 HydrophobicContact CD1-CG 4.15Å; Y38-F42 AromaticContact CD2-CD2 3.62Å; Y38-F42 HydrophobicContact CD2-CD2 3.62Å; Y38-F42 AromaticContact CD2-CE2 3.23Å; Y38-F42 HydrophobicContact CD2-CE2 3.23Å; Y38-F42 HydrophobicContact CD2-CZ 4.13Å; Y38-F42 HydrophobicContact CE1-CB 4.45Å; Y38-F42 HydrophobicContact CE1-CD1 4.21Å; Y38-F42 AromaticContact CE1-CD2 3.36Å; Y38-F42 HydrophobicContact CE1-CD2 3.36Å; Y38-F42 HydrophobicContact CE1-CE1 4.36Å; Y38-F42 AromaticContact CE1-CE2 3.61Å; Y38-F42 HydrophobicContact CE1-CE2 3.61Å; Y38-F42 AromaticContact CE1-CG 3.71Å; Y38-F42 HydrophobicContact CE1-CG 3.71Å; Y38-F42 HydrophobicContact CE1-CZ 4.08Å; Y38-F42 AromaticContact CE2-CD2 3.51Å; Y38-F42 HydrophobicContact CE2-CD2 3.51Å; Y38-F42 HydrophobicContact CE2-CE1 4.26Å; Y38-F42 AromaticContact CE2-CE2 2.85Å; Y38-F42 HydrophobicContact CE2-CE2 2.85Å; Y38-F42 HydrophobicContact CE2-CG 4.46Å; Y38-F42 AromaticContact CE2-CZ 3.29Å; Y38-F42 HydrophobicContact CE2-CZ 3.29Å; Y38-F42 AromaticContact CG-CD2 3.63Å; Y38-F42 HydrophobicContact CG-CD2 3.63Å; Y38-F42 AromaticContact CG-CE2 3.78Å; Y38-F42 HydrophobicContact CG-CE2 3.78Å; Y38-F42 AromaticContact CZ-CD2 3.35Å; Y38-F42 AromaticContact CZ-CE1 3.75Å; Y38-F42 AromaticContact CZ-CE2 3.03Å; Y38-F42 AromaticContact CZ-CG 3.88Å; Y38-F42 AromaticContact CZ-CZ 3.22Å; Y38-F42 WeakPolarHBondContact O-CB 3.38Å; Y38-F42 VanDerWaalsContact O-CD2 3.23Å; Y38-F42 WeakPolarHBondContact O-CD2 3.42Å; Y38-F42 PolarHBondContact O-N 3.37Å; Y38-F42 VanDerWaalsContact OH-CE1 3.3Å; Y38-F42 WeakPolarHBondContact OH-CE1 3.41Å; Y38-F42 WeakPolarHBondContact OH-CE2 3.49Å; Y38-F42 WeakPolarHBondContact OH-CZ 3.26Å; F42-G45 PolarHBondContact O-N 2.99Å; F42-I46 WeakPolarHBondContact O-CB 3.31Å; F42-I46 VanDerWaalsContact O-CG1 3.23Å; F42-I46 WeakPolarHBondContact O-CG1 3.48Å; F42-I46 PolarHBondContact O-N 2.98Å
43G93.4Very high88.4Confident38 Ų3890.9 Ų90.939%0.39249%0.489SS..Hα-helixtrans-62-48.1175.900000112.4M39 V40 I46 F47M39-G43 WeakPolarHBondContact O-CA 3.34Å; M39-G43 PolarHBondContact O-N 2.98Å; V40-G43 PolarHBondContact O-N 2.87Å; G43-I46 PolarHBondContact O-N 2.73Å; G43-F47 VanDerWaalsContact O-CB 3.24Å; G43-F47 WeakPolarHBondContact O-CB 3Å; G43-F47 PolarHBondContact O-N 3.44Å
44T94.5Very high89.9Confident77 Ų7790.5 Ų90.547%0.47249%0.487SS..Hα-helixtrans-66-38.8176.852.40000111.7V40 I41 F47 V48V40-T44 HydrophobicContact CG1-CG2 4.37Å; V40-T44 WeakPolarHBondContact O-CB 3.47Å; V40-T44 VanDerWaalsContact O-CG2 3.27Å; V40-T44 WeakPolarHBondContact O-CG2 3.06Å; V40-T44 PolarHBondContact O-N 3.38Å; V40-T44 PolarHBondContact O-OG1 3Å; I41-T44 PolarHBondContact O-OG1 2.95Å; I41-T44 VanDerWaalsContact O-OG1 3.06Å; T44-F47 PolarHBondContact O-N 3.02Å; T44-V48 WeakPolarHBondContact O-CB 3.44Å; T44-V48 VanDerWaalsContact O-CG2 3.25Å; T44-V48 WeakPolarHBondContact O-CG2 3.19Å; T44-V48 PolarHBondContact O-N 3.36Å
45G95.3Very high90.8Very high40 Ų4093.7 Ų93.741%0.41249%0.494SS..Hα-helixtrans-61.4-49174.300000113I41 F42 F47 V48 F49I41-G45 PolarHBondContact O-N 3.18Å; F42-G45 PolarHBondContact O-N 2.99Å; G45-F47 VanDerWaalsContact C-N 3.34Å; G45-F47 PolarHBondContact O-N 2.87Å; G45-V48 PolarHBondContact O-N 3.33Å; G45-F49 WeakPolarHBondContact O-CB 3.36Å; G45-F49 PolarHBondContact O-N 3.21Å
46I96.1Very high91.6Very high107 Ų10791.1 Ų91.155%0.54949%0.485SS..Hα-helixtrans-62.8-43.5176.1-67.8166.3000110F42 G43 V48 F49 I50F42-I46 WeakPolarHBondContact O-CB 3.31Å; F42-I46 VanDerWaalsContact O-CG1 3.23Å; F42-I46 WeakPolarHBondContact O-CG1 3.48Å; F42-I46 PolarHBondContact O-N 2.98Å; G43-I46 PolarHBondContact O-N 2.73Å; I46-V48 PolarHBondContact O-N 3.05Å; I46-F49 PolarHBondContact O-N 2.88Å; I46-I50 HydrophobicContact CG2-CG1 4.05Å; I46-I50 WeakPolarHBondContact O-CB 3.43Å; I46-I50 WeakPolarHBondContact O-CG1 3.35Å; I46-I50 PolarHBondContact O-N 3.38Å
47F96.1Very high92.4Very high126 Ų12689 Ų8955%0.55348%0.479SS*.Hα-helixtrans-61-47.5179.4-177-103.8000112G43 T44 G45 F49 I50 L51G43-F47 VanDerWaalsContact O-CB 3.24Å; G43-F47 WeakPolarHBondContact O-CB 3Å; G43-F47 PolarHBondContact O-N 3.44Å; T44-F47 PolarHBondContact O-N 3.02Å; G45-F47 VanDerWaalsContact C-N 3.34Å; G45-F47 PolarHBondContact O-N 2.87Å; F47-F49 VanDerWaalsContact C-N 3.33Å; F47-F49 PolarHBondContact O-N 2.79Å; F47-I50 PolarHBondContact O-N 2.86Å; F47-L51 HydrophobicContact CD1-CD1 3.84Å; F47-L51 HydrophobicContact CD1-CG 4.34Å; F47-L51 HydrophobicContact CE1-CD1 3.29Å; F47-L51 HydrophobicContact CE1-CG 4.05Å; F47-L51 HydrophobicContact CE2-CD1 4.41Å; F47-L51 HydrophobicContact CE2-CG 4.41Å; F47-L51 HydrophobicContact CZ-CD1 3.62Å; F47-L51 HydrophobicContact CZ-CD2 4.3Å; F47-L51 HydrophobicContact CZ-CG 4.08Å; F47-L51 WeakPolarHBondContact O-CB 3.45Å; F47-L51 WeakPolarHBondContact O-CG 3.17Å; F47-L51 PolarHBondContact O-N 3.28Å
48V96.1Very high92.6Very high86 Ų8692.1 Ų92.152%0.52149%0.487SS..Hα-helixtrans-63.3-39.8176.7171.50000111.3T44 G45 I46 L51 S52T44-V48 WeakPolarHBondContact O-CB 3.44Å; T44-V48 VanDerWaalsContact O-CG2 3.25Å; T44-V48 WeakPolarHBondContact O-CG2 3.19Å; T44-V48 PolarHBondContact O-N 3.36Å; G45-V48 PolarHBondContact O-N 3.33Å; I46-V48 PolarHBondContact O-N 3.05Å; V48-L51 PolarHBondContact O-N 3.48Å; V48-S52 VanDerWaalsContact O-CB 3.29Å; V48-S52 WeakPolarHBondContact O-CB 3.28Å; V48-S52 PolarHBondContact O-N 3.31Å; V48-S52 PolarHBondContact O-OG 3.33Å
49F95.8Very high92.6Very high127 Ų12791.3 Ų91.356%0.55749%0.486SS*.Hα-helixtrans-64.7-45.6176.1-177.3-106000111.7G45 I46 F47 S52 L53G45-F49 WeakPolarHBondContact O-CB 3.36Å; G45-F49 PolarHBondContact O-N 3.21Å; I46-F49 PolarHBondContact O-N 2.88Å; F47-F49 VanDerWaalsContact C-N 3.33Å; F47-F49 PolarHBondContact O-N 2.79Å; F49-S52 WeakPolarHBondContact O-CB 3.47Å; F49-S52 PolarHBondContact O-N 3.33Å; F49-L53 HydrophobicContact CD1-CD1 3.94Å; F49-L53 HydrophobicContact CD1-CG 4.3Å; F49-L53 HydrophobicContact CE1-CD1 3.38Å; F49-L53 HydrophobicContact CE1-CG 3.96Å; F49-L53 HydrophobicContact CE2-CD2 4.41Å; F49-L53 HydrophobicContact CE2-CG 4.44Å; F49-L53 HydrophobicContact CZ-CD1 3.78Å; F49-L53 HydrophobicContact CZ-CD2 4.1Å; F49-L53 HydrophobicContact CZ-CG 4.03Å; F49-L53 WeakPolarHBondContact O-CG 3.41Å; F49-L53 PolarHBondContact O-N 3.45Å
50I95.3Very high92.5Very high79 Ų7990.5 Ų90.541%0.40548%0.483SS..Hα-helixtrans-62-45.3176.5-70.6-63.5000111I46 F47 S52 L53 I54I46-I50 HydrophobicContact CG2-CG1 4.05Å; I46-I50 WeakPolarHBondContact O-CB 3.43Å; I46-I50 WeakPolarHBondContact O-CG1 3.35Å; I46-I50 PolarHBondContact O-N 3.38Å; F47-I50 PolarHBondContact O-N 2.86Å; I50-S52 VanDerWaalsContact C-N 3.28Å; I50-S52 PolarHBondContact O-N 3.05Å; I50-L53 PolarHBondContact O-N 2.9Å; I50-I54 HydrophobicContact CG2-CD1 3.63Å; I50-I54 HydrophobicContact CG2-CG1 4.34Å; I50-I54 WeakPolarHBondContact O-CB 3.48Å; I50-I54 VanDerWaalsContact O-CG1 3.22Å; I50-I54 WeakPolarHBondContact O-CG1 3.25Å; I50-I54 PolarHBondContact O-N 3.26Å
51L94.1Very high91.8Very high83 Ų8389.6 Ų89.644%0.43548%0.481SS..Hα-helixtrans-61.7-38.9175.4-72-174.7000111.9F47 V48 I54 F55F47-L51 HydrophobicContact CD1-CD1 3.84Å; F47-L51 HydrophobicContact CD1-CG 4.34Å; F47-L51 HydrophobicContact CE1-CD1 3.29Å; F47-L51 HydrophobicContact CE1-CG 4.05Å; F47-L51 HydrophobicContact CE2-CD1 4.41Å; F47-L51 HydrophobicContact CE2-CG 4.41Å; F47-L51 HydrophobicContact CZ-CD1 3.62Å; F47-L51 HydrophobicContact CZ-CD2 4.3Å; F47-L51 HydrophobicContact CZ-CG 4.08Å; F47-L51 WeakPolarHBondContact O-CB 3.45Å; F47-L51 WeakPolarHBondContact O-CG 3.17Å; F47-L51 PolarHBondContact O-N 3.28Å; V48-L51 PolarHBondContact O-N 3.48Å; L51-I54 PolarHBondContact O-N 3.17Å; L51-F55 VanDerWaalsContact O-CB 3.29Å; L51-F55 WeakPolarHBondContact O-CB 3.12Å; L51-F55 PolarHBondContact O-N 3.47Å
52S95Very high91.3Very high56 Ų5690.3 Ų90.339%0.39248%0.48SS..Hα-helixtrans-64.7-44.7176.2-60.50000111.2V48 F49 I50 F55 C56V48-S52 VanDerWaalsContact O-CB 3.29Å; V48-S52 WeakPolarHBondContact O-CB 3.28Å; V48-S52 PolarHBondContact O-N 3.31Å; V48-S52 PolarHBondContact O-OG 3.33Å; F49-S52 WeakPolarHBondContact O-CB 3.47Å; F49-S52 PolarHBondContact O-N 3.33Å; I50-S52 VanDerWaalsContact C-N 3.28Å; I50-S52 PolarHBondContact O-N 3.05Å; S52-F55 PolarHBondContact O-N 3.21Å; S52-C56 VanDerWaalsContact O-CB 3.28Å; S52-C56 WeakPolarHBondContact O-CB 3.35Å; S52-C56 PolarHBondContact O-N 3.43Å; S52-C56 PolarHBondContact O-SG 3.49Å
53L94.6Very high90.1Very high77 Ų7789.8 Ų89.840%0.40348%0.481SS..Hα-helixtrans-63.3-44.4174.4-69.6-174.2000112.1F49 I50 F55 C56 C57F49-L53 HydrophobicContact CD1-CD1 3.94Å; F49-L53 HydrophobicContact CD1-CG 4.3Å; F49-L53 HydrophobicContact CE1-CD1 3.38Å; F49-L53 HydrophobicContact CE1-CG 3.96Å; F49-L53 HydrophobicContact CE2-CD2 4.41Å; F49-L53 HydrophobicContact CE2-CG 4.44Å; F49-L53 HydrophobicContact CZ-CD1 3.78Å; F49-L53 HydrophobicContact CZ-CD2 4.1Å; F49-L53 HydrophobicContact CZ-CG 4.03Å; F49-L53 WeakPolarHBondContact O-CG 3.41Å; F49-L53 PolarHBondContact O-N 3.45Å; I50-L53 PolarHBondContact O-N 2.9Å; L53-F55 VanDerWaalsContact C-N 3.32Å; L53-F55 PolarHBondContact O-N 2.86Å; L53-C56 PolarHBondContact O-N 2.77Å; L53-C57 VanDerWaalsContact O-CB 3.28Å; L53-C57 WeakPolarHBondContact O-CB 3.2Å; L53-C57 PolarHBondContact O-N 3.29Å; L53-C57 PolarHBondContact O-SG 2.91Å
54I94.1Very high88.9Confident101 Ų10196.1 Ų96.152%0.51849%0.494SS..Hα-helixtrans-60-45.5176.6-69165.6000110I50 L51 C57 Y58I50-I54 HydrophobicContact CG2-CD1 3.63Å; I50-I54 HydrophobicContact CG2-CG1 4.34Å; I50-I54 WeakPolarHBondContact O-CB 3.48Å; I50-I54 VanDerWaalsContact O-CG1 3.22Å; I50-I54 WeakPolarHBondContact O-CG1 3.25Å; I50-I54 PolarHBondContact O-N 3.26Å; L51-I54 PolarHBondContact O-N 3.17Å; I54-C57 PolarHBondContact O-N 3.03Å; I54-Y58 WeakPolarHBondContact O-CB 3.39Å; I54-Y58 PolarHBondContact O-N 3.02Å
55F93.4Very high87.5Confident137 Ų13796.5 Ų96.560%0.60149%0.49SS*.Hα-helixtrans-65.5-43.1177.9-172.1-95.8000111.9L51 S52 L53 Y58 F59L51-F55 VanDerWaalsContact O-CB 3.29Å; L51-F55 WeakPolarHBondContact O-CB 3.12Å; L51-F55 PolarHBondContact O-N 3.47Å; S52-F55 PolarHBondContact O-N 3.21Å; L53-F55 VanDerWaalsContact C-N 3.32Å; L53-F55 PolarHBondContact O-N 2.86Å; F55-Y58 PolarHBondContact O-N 3.34Å; F55-F59 VanDerWaalsContact O-CB 3.27Å; F55-F59 WeakPolarHBondContact O-CB 3.29Å; F55-F59 PolarHBondContact O-N 2.79Å
56C92.4Very high85.8Confident64 Ų64101.2 Ų101.243%0.43250%0.501SS..Hα-helixtrans-61.7-48.9174.8-73.60000111.4S52 L53 Y58 F59 I60S52-C56 VanDerWaalsContact O-CB 3.28Å; S52-C56 WeakPolarHBondContact O-CB 3.35Å; S52-C56 PolarHBondContact O-N 3.43Å; S52-C56 PolarHBondContact O-SG 3.49Å; L53-C56 PolarHBondContact O-N 2.77Å; C56-Y58 VanDerWaalsContact C-N 3.33Å; C56-Y58 PolarHBondContact O-N 2.95Å; C56-F59 PolarHBondContact O-N 3.39Å; C56-I60 VanDerWaalsContact O-CB 3.28Å; C56-I60 WeakPolarHBondContact O-CB 3.48Å; C56-I60 WeakPolarHBondContact O-CD1 3.46Å; C56-I60 WeakPolarHBondContact O-CG1 3.4Å; C56-I60 PolarHBondContact O-N 3.38Å
57C88Confident83.9Confident77 Ų7798.6 Ų98.652%0.5250%0.496SS..Hα-helixtrans-61.8-41.7177.1-710000111.4L53 I54 S61L53-C57 VanDerWaalsContact O-CB 3.28Å; L53-C57 WeakPolarHBondContact O-CB 3.2Å; L53-C57 PolarHBondContact O-N 3.29Å; L53-C57 PolarHBondContact O-SG 2.91Å; I54-C57 PolarHBondContact O-N 3.03Å; C57-S61 WeakPolarHBondContact O-CB 3.41Å; C57-S61 PolarHBondContact O-N 2.83Å; C57-S61 PolarHBondContact O-OG 2.84Å
58Y89.1Confident82Confident139 Ų13994.4 Ų94.455%0.54548%0.478SS..Hα-helixtrans-63.9-46.8175.4174.8-103.3000111.5I54 F55 C56 S61 K62I54-Y58 WeakPolarHBondContact O-CB 3.39Å; I54-Y58 PolarHBondContact O-N 3.02Å; F55-Y58 PolarHBondContact O-N 3.34Å; C56-Y58 VanDerWaalsContact C-N 3.33Å; C56-Y58 PolarHBondContact O-N 2.95Å; Y58-S61 CarbonylContact O-C 3.55Å; Y58-S61 WeakPolarHBondContact O-CB 3.3Å; Y58-S61 PolarHBondContact O-N 3.03Å; Y58-K62 HydrophobicContact CE1-CD 4.01Å; Y58-K62 VanDerWaalsContact O-CB 3.24Å; Y58-K62 WeakPolarHBondContact O-CB 3.28Å; Y58-K62 PolarHBondContact O-N 3.43Å
59F83.7Confident80.2Confident101 Ų10192 Ų9244%0.44347%0.465SS..Hα-helixtrans-67.8-42.2-179.5-168.1-104.3000111.6F55 C56 S61 K62 L63F55-F59 VanDerWaalsContact O-CB 3.27Å; F55-F59 WeakPolarHBondContact O-CB 3.29Å; F55-F59 PolarHBondContact O-N 2.79Å; C56-F59 PolarHBondContact O-N 3.39Å; F59-S61 VanDerWaalsContact C-N 3.31Å; F59-S61 PolarHBondContact O-N 3.31Å; F59-K62 CarbonylContact O-C 3.57Å; F59-K62 PolarHBondContact O-N 2.83Å; F59-K62 VanDerWaalsContact O-N 3.16Å; F59-L63 HydrophobicContact CD1-CD1 3.56Å; F59-L63 HydrophobicContact CD1-CG 3.85Å; F59-L63 HydrophobicContact CE1-CD1 3.36Å; F59-L63 HydrophobicContact CE1-CD2 3.94Å; F59-L63 HydrophobicContact CE1-CG 3.63Å; F59-L63 HydrophobicContact CZ-CD1 4.25Å; F59-L63 HydrophobicContact CZ-CD2 3.99Å; F59-L63 HydrophobicContact CZ-CG 4.07Å; F59-L63 WeakPolarHBondContact O-CB 3.36Å; F59-L63 VanDerWaalsContact O-CG 3.31Å; F59-L63 WeakPolarHBondContact O-CG 3.46Å; F59-L63 PolarHBondContact O-N 2.8Å
60I82.6Confident78.3Confident99 Ų9994.4 Ų94.451%0.50848%0.478SS..Hα-helixtrans-60.5-43.1172.4-68.1164.7000110C56 K62 L63 R64C56-I60 VanDerWaalsContact O-CB 3.28Å; C56-I60 WeakPolarHBondContact O-CB 3.48Å; C56-I60 WeakPolarHBondContact O-CD1 3.46Å; C56-I60 WeakPolarHBondContact O-CG1 3.4Å; C56-I60 PolarHBondContact O-N 3.38Å; I60-K62 VanDerWaalsContact C-N 3.32Å; I60-K62 PolarHBondContact O-N 3.26Å; I60-L63 PolarHBondContact O-N 2.8Å; I60-R64 WeakPolarHBondContact O-CB 3.19Å; I60-R64 VanDerWaalsContact O-CG 3.28Å; I60-R64 WeakPolarHBondContact O-CG 3.31Å; I60-R64 PolarHBondContact O-N 3.42Å
61S75.9Confident76.5Confident75 Ų75101.2 Ų101.252%0.52450%0.498SS..Hα-helixtrans-63-39.7175.1-60.60000111.7C57 Y58 F59 R64 H65C57-S61 WeakPolarHBondContact O-CB 3.41Å; C57-S61 PolarHBondContact O-N 2.83Å; C57-S61 PolarHBondContact O-OG 2.84Å; Y58-S61 CarbonylContact O-C 3.55Å; Y58-S61 WeakPolarHBondContact O-CB 3.3Å; Y58-S61 PolarHBondContact O-N 3.03Å; F59-S61 VanDerWaalsContact C-N 3.31Å; F59-S61 PolarHBondContact O-N 3.31Å; S61-R64 PolarHBondContact O-N 3.28Å; S61-H65 WeakPolarHBondContact O-CB 3.13Å; S61-H65 PolarHBondContact O-N 2.76Å
62K78.6Confident75Confident110 Ų11099 Ų9948%0.47849%0.485SS..Hα-helixtrans-70.3-40178.1-169.9175.4-177.5-178.80112.2Y58 F59 I60 H65 Q66Y58-K62 HydrophobicContact CE1-CD 4.01Å; Y58-K62 VanDerWaalsContact O-CB 3.24Å; Y58-K62 WeakPolarHBondContact O-CB 3.28Å; Y58-K62 PolarHBondContact O-N 3.43Å; F59-K62 CarbonylContact O-C 3.57Å; F59-K62 PolarHBondContact O-N 2.83Å; F59-K62 VanDerWaalsContact O-N 3.16Å; I60-K62 VanDerWaalsContact C-N 3.32Å; I60-K62 PolarHBondContact O-N 3.26Å; K62-H65 WeakPolarHBondContact O-CB 3.36Å; K62-H65 PolarHBondContact O-N 3.16Å; K62-Q66 PolarHBondContact O-N 2.66Å
63L68.9Low73.5Confident86 Ų8698.9 Ų98.945%0.4549%0.493SS..Hα-helixtrans-64.5-43.7172.2-75.6178.2000110.9F59 I60 H65 Q66 A67F59-L63 HydrophobicContact CD1-CD1 3.56Å; F59-L63 HydrophobicContact CD1-CG 3.85Å; F59-L63 HydrophobicContact CE1-CD1 3.36Å; F59-L63 HydrophobicContact CE1-CD2 3.94Å; F59-L63 HydrophobicContact CE1-CG 3.63Å; F59-L63 HydrophobicContact CZ-CD1 4.25Å; F59-L63 HydrophobicContact CZ-CD2 3.99Å; F59-L63 HydrophobicContact CZ-CG 4.07Å; F59-L63 WeakPolarHBondContact O-CB 3.36Å; F59-L63 VanDerWaalsContact O-CG 3.31Å; F59-L63 WeakPolarHBondContact O-CG 3.46Å; F59-L63 PolarHBondContact O-N 2.8Å; I60-L63 PolarHBondContact O-N 2.8Å; L63-H65 VanDerWaalsContact C-N 3.27Å; L63-H65 PolarHBondContact O-N 3.27Å; L63-Q66 PolarHBondContact O-N 2.89Å; L63-Q66 VanDerWaalsContact O-N 3.17Å; L63-A67 WeakPolarHBondContact O-CB 3.28Å; L63-A67 PolarHBondContact O-N 3.43Å
64R68.1Low72.3Confident172 Ų17296 Ų9665%0.64948%0.477SS*.Hα-helixtrans-60.6-39.1172.6-75-126.2-61165.23.1111.6I60 S61 Q66 A67 Q68I60-R64 WeakPolarHBondContact O-CB 3.19Å; I60-R64 VanDerWaalsContact O-CG 3.28Å; I60-R64 WeakPolarHBondContact O-CG 3.31Å; I60-R64 PolarHBondContact O-N 3.42Å; S61-R64 PolarHBondContact O-N 3.28Å; R64-Q66 VanDerWaalsContact C-N 3.32Å; R64-Q66 PolarHBondContact O-N 3.45Å; R64-A67 PolarHBondContact O-N 2.84Å; R64-Q68 WeakPolarHBondContact O-CB 3.39Å; R64-Q68 WeakPolarHBondContact O-CG 3.35Å; R64-Q68 PolarHBondContact O-N 3.47Å
65H64.1Low71.3Confident84 Ų8499.3 Ų99.339%0.38948%0.483SS..Hα-helixtrans-65.3-36.2176-162.2-105.8000112.1S61 K62 L63 R117S61-H65 WeakPolarHBondContact O-CB 3.13Å; S61-H65 PolarHBondContact O-N 2.76Å; K62-H65 WeakPolarHBondContact O-CB 3.36Å; K62-H65 PolarHBondContact O-N 3.16Å; L63-H65 VanDerWaalsContact C-N 3.27Å; L63-H65 PolarHBondContact O-N 3.27Å; H65-R117 PolarHBondContact CE1-NH1 2.71Å; H65-R117 PolarHBondContact CE1-NH2 3.46Å; H65-R117 PolarHBondContact ND1-NH2 2.85Å
66Q60.3Low70.3Confident140 Ų14096 Ų9665%0.65447%0.47SS*.Hα-helixtrans-73.2-39.1175.5-161.1170.2-39.500111.9K62 L63 R64 S69K62-Q66 PolarHBondContact O-N 2.66Å; L63-Q66 PolarHBondContact O-N 2.89Å; L63-Q66 VanDerWaalsContact O-N 3.17Å; R64-Q66 VanDerWaalsContact C-N 3.32Å; R64-Q66 PolarHBondContact O-N 3.45Å; Q66-S69 PolarHBondContact O-N 3.35Å
67A55.5Low69.5Low52 Ų5295 Ų9543%0.4346%0.461SS..Hα-helixtrans-71.9-26.217700000113.9L63 R64 S69 E70 R71L63-A67 WeakPolarHBondContact O-CB 3.28Å; L63-A67 PolarHBondContact O-N 3.43Å; R64-A67 PolarHBondContact O-N 2.84Å; A67-S69 VanDerWaalsContact C-N 3.32Å; A67-E70 PolarHBondContact O-N 3.29Å; A67-R71 WeakPolarHBondContact O-CG 3.41Å; A67-R71 PolarHBondContact O-N 3.47Å
68Q57.3Low68.9Low37 Ų3795.6 Ų95.617%0.17346%0.463CS..Hα-helixtrans-66.4-33174.6-85.2-169.9-29.700112.2R64 E70 R71 F72 E125R64-Q68 WeakPolarHBondContact O-CB 3.39Å; R64-Q68 WeakPolarHBondContact O-CG 3.35Å; R64-Q68 PolarHBondContact O-N 3.47Å; Q68-E70 VanDerWaalsContact C-N 3.35Å; Q68-E70 PolarHBondContact O-N 3.01Å; Q68-R71 PolarHBondContact O-N 2.75Å; Q68-F72 HydrophobicContact CB-CD2 4.26Å; Q68-F72 HydrophobicContact CB-CE2 4.27Å; Q68-F72 HydrophobicContact CG-CE2 4.06Å; Q68-F72 WeakPolarHBondContact O-CD2 3.28Å; Q68-F72 PolarHBondContact O-N 3.04Å; Q68-E125 PolarHBondContact NE2-OE1 2.86Å
69S57.8Low68.1Low37 Ų3789.4 Ų89.426%0.25944%0.439SS..Hα-helixtrans-60.1-44.5176.6-173.10000111.8Q66 A67Q66-S69 PolarHBondContact O-N 3.35Å; A67-S69 VanDerWaalsContact C-N 3.32Å
70E56.7Low67Low176 Ų17694.4 Ų94.482%0.82246%0.46SS*.Hα-helixtrans-73.3-28-179.9-64.2-158.9113.700113.5A67 Q68A67-E70 PolarHBondContact O-N 3.29Å; Q68-E70 VanDerWaalsContact C-N 3.35Å; Q68-E70 PolarHBondContact O-N 3.01Å
71R56.4Low66.1Low222 Ų22291 Ų9184%0.83845%0.45SS*.Hα-helixtrans-74-31.8-179.7-80.9-90.6174.7145.8-4.9113.8A67 Q68A67-R71 WeakPolarHBondContact O-CG 3.41Å; A67-R71 PolarHBondContact O-N 3.47Å; Q68-R71 PolarHBondContact O-N 2.75Å
72F61.9Low65.2Low36 Ų3693.3 Ų93.316%0.15846%0.456CS..Hα-helixtrans-102.60.3-169.2-72.4-63.5000114.7Q68 Y74 L124 I137Q68-F72 HydrophobicContact CB-CD2 4.26Å; Q68-F72 HydrophobicContact CB-CE2 4.27Å; Q68-F72 HydrophobicContact CG-CE2 4.06Å; Q68-F72 WeakPolarHBondContact O-CD2 3.28Å; Q68-F72 PolarHBondContact O-N 3.04Å; F72-Y74 HydrophobicContact CB-CD1 3.58Å; F72-Y74 HydrophobicContact CB-CE1 3.88Å; F72-Y74 PolarHBondContact O-N 2.97Å; F72-L124 HydrophobicContact CB-CD1 3.73Å; F72-L124 HydrophobicContact CD1-CB 3.67Å; F72-L124 HydrophobicContact CD1-CD1 3.84Å; F72-L124 HydrophobicContact CD1-CG 4.32Å; F72-L124 HydrophobicContact CE1-CB 3.6Å; F72-L124 WeakPolarHBondContact CE1-O 3.43Å; F72-L124 HydrophobicContact CE2-CB 4.5Å; F72-L124 HydrophobicContact CG-CB 4.17Å; F72-L124 HydrophobicContact CG-CD1 3.83Å; F72-L124 HydrophobicContact CZ-CB 4.04Å; F72-I137 WeakPolarHBondContact O-CG2 3.42Å
73G63.3Low64.1Low55 Ų5590.1 Ų90.157%0.56745%0.447SS*.THydrogen-bonded Turntrans58.320.8169.800000115.5
74Y69.4Low63.5Low15 Ų1595 Ų956%0.05946%0.464CS..PPolyproline II helixtrans-93.6149.8176.970.2-92.3000110.5F72 E76 L120 V121 L124F72-Y74 HydrophobicContact CB-CD1 3.58Å; F72-Y74 HydrophobicContact CB-CE1 3.88Å; F72-Y74 PolarHBondContact O-N 2.97Å; Y74-E76 HydrophobicContact CE2-CB 4.28Å; Y74-L120 HydrophobicContact CD1-CD2 4.29Å; Y74-L120 HydrophobicContact CD2-CD2 4.06Å; Y74-L120 HydrophobicContact CG-CD2 3.82Å; Y74-V121 HydrophobicContact CE1-CG2 4.48Å; Y74-L124 HydrophobicContact CD1-CD1 4.34Å
75R73.3Confident62.7Low172 Ų17295.9 Ų95.965%0.64947%0.473SS*.EExtended strand (participates in β ladder)trans-91.4116.7175.2-171.7175.567.4-178.40.2109.6V77 V108R75-V77 HydrophobicContact CG-CG1 4.13Å; R75-V108 PolarHBondContact N-O 2.86Å; R75-V108 PolarHBondContact O-N 3.36Å
76E74Confident62.2Low68 Ų6895.6 Ų95.632%0.31847%0.474SS..EExtended strand (participates in β ladder)trans-76.3125.7172.3-168.3168.8-176.200110Y74 L106 R117Y74-E76 HydrophobicContact CE2-CB 4.28Å; E76-L106 WeakPolarHBondContact CA-O 3.34Å; E76-R117 VanDerWaalsContact OE1-CD 3.29Å; E76-R117 WeakPolarHBondContact OE1-CD 3.23Å; E76-R117 IonicContact OE1-CZ 3.01Å; E76-R117 IonicContact OE1-NE 3.34Å; E76-R117 PolarHBondContact OE1-NE 3.4Å; E76-R117 IonicContact OE1-NH1 3.51Å; E76-R117 PolarHBondContact OE1-NH1 2.9Å; E76-R117 IonicContact OE1-NH2 2.75Å; E76-R117 IonicContact OE2-CZ 3.69Å; E76-R117 IonicContact OE2-NE 3.91Å; E76-R117 IonicContact OE2-NH2 3.05Å
77V74.2Confident61.7Low42 Ų4297 Ų9726%0.25549%0.486SS..EExtended strand (participates in β ladder)trans-130.9130.6176.8-58.50000108.9R75 L106 V108R75-V77 HydrophobicContact CG-CG1 4.13Å; V77-L106 HydrophobicContact CG2-CB 3.83Å; V77-L106 PolarHBondContact N-O 2.76Å; V77-L106 PolarHBondContact O-N 3.45Å; V77-V108 HydrophobicContact CG1-CG2 4.41Å; V77-V108 HydrophobicContact CG2-CG2 3.68Å
78V76.6Confident61.7Low90 Ų9096.8 Ų96.855%0.54548%0.477SS..EExtended strand (participates in β ladder)trans-93.6125.7176.1-179.40000108.7K80V78-K80 PolarHBondContact O-N 3.09Å
79L70.9Confident61.3Low8 Ų8102.5 Ų102.54%0.04250%0.504CS..  trans-70.998.7176.1-125.595.4000110P83 L86 F100 K103 D104 L106L79-P83 HydrophobicContact CD2-CB 4.36Å; L79-L86 HydrophobicContact CD1-CD1 4.2Å; L79-L86 HydrophobicContact CD2-CD1 3.95Å; L79-L86 HydrophobicContact CG-CD1 3.76Å; L79-F100 HydrophobicContact CD2-CB 4.48Å; L79-K103 WeakPolarHBondContact O-CA 3.21Å; L79-K103 PolarHBondContact O-N 2.83Å; L79-D104 PolarHBondContact N-O 3.44Å; L79-L106 HydrophobicContact CD1-CD1 3.25Å; L79-L106 HydrophobicContact CD1-CG 3.82Å
80K60.7Low61.3Low206 Ų206102.4 Ų102.490%0.89651%0.509SS*.  trans-103.463.8178.3-157.7176.9-177.8-178.10110.2V78V78-K80 PolarHBondContact O-N 3.09Å
81G64.4Low61.8Low28 Ų2898.9 Ų98.929%0.28949%0.492SS..SBendtrans166.3177.8176.600000113.9V102G81-V102 WeakPolarHBondContact O-CG2 3.29Å
82D57.3Low62.8Low124 Ų12491.5 Ų91.566%0.66347%0.472SS*.  trans-60.2129.6176-71-78.3000111.8K84 K85D82-K84 PolarHBondContact O-N 3.17Å; D82-K85 PolarHBondContact O-N 2.73Å
83P55.6Low63.8Low43 Ų4389.8 Ų89.828%0.27946%0.464SS..G310 helixtrans-62.5-18.6-174.624.5-33.8000113.6L79 K85 F100L79-P83 HydrophobicContact CD2-CB 4.36Å; P83-K85 VanDerWaalsContact C-N 3.28Å; P83-K85 PolarHBondContact O-N 3.42Å; P83-F100 WeakPolarHBondContact CB-O 3.24Å
84K54.9Low64.9Low187 Ų18789.1 Ų89.181%0.81345%0.453SS*.G310 helixtrans-70.7-12.8179.9-83.5-177.1175.9178.60115.2D82D82-K84 PolarHBondContact O-N 3.17Å
85K51.6Low65.6Low191 Ų19191 Ų9183%0.8347%0.466SS*.G310 helixtrans-110.8-4.9-171.1-137.2-172.8-177.5-174.90115.5D82 P83D82-K85 PolarHBondContact O-N 2.73Å; P83-K85 VanDerWaalsContact C-N 3.28Å; P83-K85 PolarHBondContact O-N 3.42Å
86L54.1Low66.2Low78 Ų7884.6 Ų84.641%0.40845%0.447SS..  trans-88.8118.7175-83.7124000109.6L79 L88L79-L86 HydrophobicContact CD1-CD1 4.2Å; L79-L86 HydrophobicContact CD2-CD1 3.95Å; L79-L86 HydrophobicContact CG-CD1 3.76Å; L86-L88 PolarHBondContact O-N 2.95Å
87N50.4Low66.8Low171 Ų17188.1 Ų88.191%0.91447%0.467SS*.  trans-6851.7168.3-93.9-87.3000111.1
88L55.7Low67.2Low46 Ų4691.9 Ų91.924%0.24148%0.482CS..  trans-92.7125173.3-137.866.2000107.1L86 G90 L106 A114L86-L88 PolarHBondContact O-N 2.95Å; L88-G90 PolarHBondContact O-N 2.98Å; L88-L106 HydrophobicContact CD2-CD1 3.8Å; L88-A114 HydrophobicContact CD1-CB 4.44Å; L88-A114 HydrophobicContact CD2-CB 3.2Å; L88-A114 HydrophobicContact CG-CB 3.7Å
89H49.2Very low67.5Low158 Ų15892.5 Ų92.573%0.73148%0.483SS*.SBendtrans-65.4104.9176.6-79.273.4000108.7
90G56.9Low68.1Low35 Ų3592.6 Ų92.636%0.36148%0.483SS..  trans96.2109.5-173.900000111.8L88 F100L88-G90 PolarHBondContact O-N 2.98Å; G90-F100 VanDerWaalsContact O-CE2 3.31Å; G90-F100 WeakPolarHBondContact O-CE2 3.27Å
91Q66.3Low68.8Low101 Ų10189.7 Ų89.747%0.47247%0.47SS..SBendtrans-82.2-2.8169.5-66.2-179.524.400112.1D99 F100Q91-D99 WeakPolarHBondContact O-CA 3.46Å; Q91-F100 VanDerWaalsContact C-CD2 3.43Å; Q91-F100 WeakPolarHBondContact O-CD2 3.46Å; Q91-F100 PolarHBondContact O-N 3.27Å
92T77.6Confident69.2Low68 Ų6891.8 Ų91.842%0.41748%0.477SS..BIsolated β-bridgetrans-116.5140.4-177.747.10000110.1A94 E98 D99T92-A94 PolarHBondContact O-N 2.78Å; T92-E98 WeakPolarHBondContact CA-O 3.4Å; T92-D99 WeakPolarHBondContact CG2-OD1 3.42Å
93C84.3Confident69.9Low0 Ų094.2 Ų94.20%048%0.482CS..  trans-76.1115.7171.3-176.10000109.5V95 C96 L97 E98 F100 H116C93-V95 PolarHBondContact O-N 3.3Å; C93-C96 VanDerWaalsContact CB-SG 3.57Å; C93-C96 PolarHBondContact O-N 3.45Å; C93-L97 WeakPolarHBondContact O-CA 3.21Å; C93-L97 PolarHBondContact O-N 2.84Å; C93-E98 PolarHBondContact N-O 3.21Å; C93-F100 HydrophobicContact CB-CE1 3.68Å; C93-F100 HydrophobicContact CB-CZ 4Å; C93-H116 VanDerWaalsContact CB-ND1 3.34Å; C93-H116 WeakPolarHBondContact CB-ND1 3.22Å
94A85.3Confident71.1Confident40 Ų4094.4 Ų94.433%0.33148%0.481SS..THydrogen-bonded Turntrans-66.7-6.8-179.400000114.9T92 F115 M132T92-A94 PolarHBondContact O-N 2.78Å; A94-F115 HydrophobicContact CB-CE1 4.07Å; A94-M132 HydrophobicContact CB-CG 4.23Å; A94-M132 HydrophobicContact CB-SD 3.47Å; A94-M132 WeakPolarHBondContact CB-SD 3.32Å
95V84.9Confident72.5Confident56 Ų5689.1 Ų89.134%0.33946%0.459SS..THydrogen-bonded Turntrans-90.9-45.8178.9178.90000111.9C93 F115 C119 P131C93-V95 PolarHBondContact O-N 3.3Å; V95-F115 HydrophobicContact CG2-CD1 3.98Å; V95-F115 HydrophobicContact CG2-CE1 4.41Å; V95-C119 HydrophobicContact CB-CB 3.89Å; V95-C119 HydrophobicContact CG1-CB 3.87Å; V95-C119 HydrophobicContact CG2-CB 4.46Å; V95-P131 HydrophobicContact CG2-CB 4.48Å; V95-P131 HydrophobicContact CG2-CG 4Å
96C86.1Confident74Confident37 Ų3780 Ų8025%0.2542%0.419CS..THydrogen-bonded Turntrans-103.2-5.1176.9610000113.8C93 E98 H116 C119C93-C96 VanDerWaalsContact CB-SG 3.57Å; C93-C96 PolarHBondContact O-N 3.45Å; C96-E98 PolarHBondContact O-N 2.79Å; C96-E98 VanDerWaalsContact O-N 3.17Å; C96-E98 PolarHBondContact SG-OE2 2.84Å; C96-H116 PolarHBondContact SG-ND1 3.4Å; C96-C119 VanDerWaalsContact SG-SG 3.7Å
97L85.2Confident75.5Confident141 Ų14176.3 Ų76.374%0.73840%0.4SS*.  trans6017.2-178.1-52.6175000114.4C93C93-L97 WeakPolarHBondContact O-CA 3.21Å; C93-L97 PolarHBondContact O-N 2.84Å
98E83Confident77Confident121 Ų12168.7 Ų68.757%0.56536%0.359SS*.PPolyproline II helixtrans-96.8146.8178.7-69.9147.1-168.400111.5T92 C93 C96T92-E98 WeakPolarHBondContact CA-O 3.4Å; C93-E98 PolarHBondContact N-O 3.21Å; C96-E98 PolarHBondContact O-N 2.79Å; C96-E98 VanDerWaalsContact O-N 3.17Å; C96-E98 PolarHBondContact SG-OE2 2.84Å
99D83.2Confident78.2Confident104 Ų10466.8 Ų66.856%0.55635%0.349SS*.BIsolated β-bridgetrans-67.1143.6173.2-63.7-48.2000111.9Q91 T92Q91-D99 WeakPolarHBondContact O-CA 3.46Å; T92-D99 WeakPolarHBondContact CG2-OD1 3.42Å
100F82.6Confident79.7Confident9 Ų963.6 Ų63.64%0.03934%0.342CS..PPolyproline II helixtrans-69.6132.8174.7-61.5-52.9000111.9L79 P83 G90 Q91 C93 L106 H116L79-F100 HydrophobicContact CD2-CB 4.48Å; P83-F100 WeakPolarHBondContact CB-O 3.24Å; G90-F100 VanDerWaalsContact O-CE2 3.31Å; G90-F100 WeakPolarHBondContact O-CE2 3.27Å; Q91-F100 VanDerWaalsContact C-CD2 3.43Å; Q91-F100 WeakPolarHBondContact O-CD2 3.46Å; Q91-F100 PolarHBondContact O-N 3.27Å; C93-F100 HydrophobicContact CB-CE1 3.68Å; C93-F100 HydrophobicContact CB-CZ 4Å; F100-L106 HydrophobicContact CD1-CD1 3.94Å; F100-L106 HydrophobicContact CD1-CD2 3.24Å; F100-L106 HydrophobicContact CD1-CG 4.25Å; F100-L106 HydrophobicContact CD2-CD1 4.05Å; F100-L106 HydrophobicContact CE1-CD1 4.08Å; F100-L106 HydrophobicContact CE1-CD2 3.41Å; F100-L106 VanDerWaalsContact CE1-CD2 3.41Å; F100-L106 HydrophobicContact CE1-CG 4.4Å; F100-L106 HydrophobicContact CE2-CD1 4.18Å; F100-L106 HydrophobicContact CG-CD1 3.93Å; F100-L106 HydrophobicContact CG-CD2 4.01Å; F100-L106 HydrophobicContact CZ-CD1 4.21Å; F100-L106 HydrophobicContact CZ-CD2 4.28Å; F100-H116 AromaticContact CD1-CD2 3.66Å; F100-H116 AromaticContact CD1-CE1 3.87Å; F100-H116 AromaticContact CD1-NE2 3.35Å; F100-H116 WeakPolarHBondContact CD1-NE2 3.3Å; F100-H116 AromaticContact CE1-CD2 3.88Å; F100-H116 AromaticContact CE1-NE2 3.85Å
101K75.9Confident80.8Confident146 Ų14663.1 Ų63.164%0.63533%0.333SS*.  trans-106.9161.1178.4-60.6177.3-177.4172.90112.2K103 D104K101-K103 PolarHBondContact O-N 3.48Å; K101-D104 WeakPolarHBondContact CA-OD2 3.33Å; K101-D104 VanDerWaalsContact CB-OD2 3.3Å; K101-D104 WeakPolarHBondContact CB-OD2 3.42Å; K101-D104 PolarHBondContact N-OD2 3.31Å; K101-D104 WeakPolarHBondContact O-CB 3.36Å; K101-D104 PolarHBondContact O-N 2.85Å; K101-D104 VanDerWaalsContact O-N 3.09Å
102V72.4Confident81.4Confident72 Ų7265.7 Ų65.744%0.43635%0.346SS..THydrogen-bonded Turntrans-61.7132.8173.8-1680000109G81 D104G81-V102 WeakPolarHBondContact O-CG2 3.29Å; V102-D104 VanDerWaalsContact C-N 3.33Å
103K73.6Confident81.7Confident174 Ų17464.3 Ų64.376%0.75733%0.334SS*.THydrogen-bonded Turntrans76.64.9-172.9-49.5176.9179.4178.20115.8L79 K101L79-K103 WeakPolarHBondContact O-CA 3.21Å; L79-K103 PolarHBondContact O-N 2.83Å; K101-K103 PolarHBondContact O-N 3.48Å
104D80.3Confident81.7Confident48 Ų4864.6 Ų64.626%0.25734%0.337SS..  trans-69.7140171.3-74.5-21.6000111.1L79 K101 V102 L106 H116L79-D104 PolarHBondContact N-O 3.44Å; K101-D104 WeakPolarHBondContact CA-OD2 3.33Å; K101-D104 VanDerWaalsContact CB-OD2 3.3Å; K101-D104 WeakPolarHBondContact CB-OD2 3.42Å; K101-D104 PolarHBondContact N-OD2 3.31Å; K101-D104 WeakPolarHBondContact O-CB 3.36Å; K101-D104 PolarHBondContact O-N 2.85Å; K101-D104 VanDerWaalsContact O-N 3.09Å; V102-D104 VanDerWaalsContact C-N 3.33Å; D104-L106 HydrophobicContact CB-CD2 4.24Å; D104-H116 IonicContact OD2-CD2 3.89Å; D104-H116 IonicContact OD2-NE2 3.43Å; D104-H116 PolarHBondContact OD2-NE2 3.49Å
105E83.1Confident81.8Confident76 Ų7662.8 Ų62.836%0.35532%0.321SS..EExtended strand (participates in β ladder)trans-84.1116.7171.1-60.7178.4157.100108.1R117E105-R117 HydrophobicContact CB-CB 3.86Å; E105-R117 VanDerWaalsContact CD-NH1 3.31Å; E105-R117 WeakPolarHBondContact O-CB 3.48Å; E105-R117 PolarHBondContact O-N 2.87Å; E105-R117 IonicContact OE1-NH1 3.67Å; E105-R117 PolarHBondContact OE1-NH1 2.86Å; E105-R117 WeakPolarHBondContact OE2-CD 3.42Å; E105-R117 IonicContact OE2-CZ 3.6Å; E105-R117 IonicContact OE2-NE 3.85Å; E105-R117 IonicContact OE2-NH1 3.35Å; E105-R117 PolarHBondContact OE2-NH1 3.39Å
106L84.2Confident81.9Confident0 Ų061.1 Ų61.10%031%0.31CS..EExtended strand (participates in β ladder)trans-106141.9175.5-54.6-165.4000110.8E76 V77 L79 L88 F100 D104 A114 F115E76-L106 WeakPolarHBondContact CA-O 3.34Å; V77-L106 HydrophobicContact CG2-CB 3.83Å; V77-L106 PolarHBondContact N-O 2.76Å; V77-L106 PolarHBondContact O-N 3.45Å; L79-L106 HydrophobicContact CD1-CD1 3.25Å; L79-L106 HydrophobicContact CD1-CG 3.82Å; L88-L106 HydrophobicContact CD2-CD1 3.8Å; F100-L106 HydrophobicContact CD1-CD1 3.94Å; F100-L106 HydrophobicContact CD1-CD2 3.24Å; F100-L106 HydrophobicContact CD1-CG 4.25Å; F100-L106 HydrophobicContact CD2-CD1 4.05Å; F100-L106 HydrophobicContact CE1-CD1 4.08Å; F100-L106 HydrophobicContact CE1-CD2 3.41Å; F100-L106 VanDerWaalsContact CE1-CD2 3.41Å; F100-L106 HydrophobicContact CE1-CG 4.4Å; F100-L106 HydrophobicContact CE2-CD1 4.18Å; F100-L106 HydrophobicContact CG-CD1 3.93Å; F100-L106 HydrophobicContact CG-CD2 4.01Å; F100-L106 HydrophobicContact CZ-CD1 4.21Å; F100-L106 HydrophobicContact CZ-CD2 4.28Å; D104-L106 HydrophobicContact CB-CD2 4.24Å; L106-A114 HydrophobicContact CD1-CB 4.37Å; L106-F115 CarbonylContact C-O 3.57Å; L106-F115 WeakPolarHBondContact CA-O 3.29Å
107G84.4Confident81.8Confident0 Ų060.7 Ų60.70%030%0.303CS..EExtended strand (participates in β ladder)trans-100.6122.1164.900000109.6F115G107-F115 PolarHBondContact N-O 3.16Å; G107-F115 PolarHBondContact O-N 2.8Å
108V82.4Confident81.8Confident11 Ų1161.6 Ų61.67%0.06730%0.301CS..EExtended strand (participates in β ladder)trans-102.1123.1174.3-176.30000108.9R75 V77 H113 A114R75-V108 PolarHBondContact N-O 2.86Å; R75-V108 PolarHBondContact O-N 3.36Å; V77-V108 HydrophobicContact CG1-CG2 4.41Å; V77-V108 HydrophobicContact CG2-CG2 3.68Å; V108-H113 WeakPolarHBondContact CA-O 3.48Å; V108-A114 HydrophobicContact CG2-CB 4.09Å
109L82.1Confident81.9Confident5 Ų556.9 Ų56.93%0.02628%0.281CS..PPolyproline II helixtrans-76.5161.5175.4-99.956.8000111.4C111 Q112 H113 F115 L120 C130 I137L109-C111 VanDerWaalsContact CB-SG 3.59Å; L109-C111 PolarHBondContact O-N 3.2Å; L109-C111 VanDerWaalsContact O-N 3.09Å; L109-Q112 PolarHBondContact O-N 2.8Å; L109-H113 PolarHBondContact N-O 3.45Å; L109-F115 HydrophobicContact CD2-CE2 4.49Å; L109-L120 HydrophobicContact CD1-CD1 3.43Å; L109-L120 VanDerWaalsContact CD1-CD1 3.43Å; L109-L120 HydrophobicContact CD1-CD2 3.43Å; L109-L120 VanDerWaalsContact CD1-CD2 3.43Å; L109-L120 HydrophobicContact CD1-CG 4.01Å; L109-C130 HydrophobicContact CD2-CB 3.64Å; L109-I137 HydrophobicContact CD1-CD1 4.37Å; L109-I137 HydrophobicContact CD2-CD1 3.46Å; L109-I137 VanDerWaalsContact CD2-CD1 3.46Å; L109-I137 HydrophobicContact CD2-CG1 3.67Å; L109-I137 HydrophobicContact CG-CD1 3.94Å; L109-I137 HydrophobicContact CG-CG1 3.99Å
110P79.7Confident82Confident91 Ų9151.9 Ų51.959%0.59125%0.254SS*.THydrogen-bonded Turntrans-59.6-22.9175.524.9-35000112.9Q112P110-Q112 PolarHBondContact O-N 3.32Å
111C80.9Confident82.1Confident25 Ų2552.1 Ų52.117%0.16926%0.256CS..THydrogen-bonded Turntrans-77.59.3172.667.60000114.6L109 H113 C130 K135L109-C111 VanDerWaalsContact CB-SG 3.59Å; L109-C111 PolarHBondContact O-N 3.2Å; L109-C111 VanDerWaalsContact O-N 3.09Å; C111-H113 PolarHBondContact O-N 3.27Å; C111-H113 PolarHBondContact SG-ND1 2.94Å; C111-C130 PolarHBondContact SG-SG 2.94Å; C111-K135 VanDerWaalsContact CB-CE 3.43Å
112Q78.6Confident82.5Confident156 Ų15652.2 Ų52.273%0.72926%0.257SS*.SBendtrans67.210.7179-55.4175.179.800116.1L109 P110L109-Q112 PolarHBondContact O-N 2.8Å; P110-Q112 PolarHBondContact O-N 3.32Å
113H84.2Confident83.2Confident39 Ų3952.9 Ų52.918%0.18125%0.252CS..  trans-84.7138.5171.8-68110.7000110.5V108 L109 C111 F115 M132V108-H113 WeakPolarHBondContact CA-O 3.48Å; L109-H113 PolarHBondContact N-O 3.45Å; C111-H113 PolarHBondContact O-N 3.27Å; C111-H113 PolarHBondContact SG-ND1 2.94Å; H113-F115 HydrophobicContact CB-CE2 3.63Å; H113-F115 HydrophobicContact CB-CZ 3.88Å; H113-M132 HydrophobicContact CB-CG 4.48Å
114A84.1Confident83.6Confident6 Ų644.8 Ų44.85%0.0522%0.216CC..EExtended strand (participates in β ladder)trans-111.7142.3-178.100000111.7L88 L106 V108L88-A114 HydrophobicContact CD1-CB 4.44Å; L88-A114 HydrophobicContact CD2-CB 3.2Å; L88-A114 HydrophobicContact CG-CB 3.7Å; L106-A114 HydrophobicContact CD1-CB 4.37Å; V108-A114 HydrophobicContact CG2-CB 4.09Å
115F86.3Confident83.6Confident1 Ų147.9 Ų47.90%0.00423%0.23CC..EExtended strand (participates in β ladder)trans-143.7159.8178.3-54.2-86.9000109.2A94 V95 L106 G107 L109 H113 R117 L120 P131 M132A94-F115 HydrophobicContact CB-CE1 4.07Å; V95-F115 HydrophobicContact CG2-CD1 3.98Å; V95-F115 HydrophobicContact CG2-CE1 4.41Å; L106-F115 CarbonylContact C-O 3.57Å; L106-F115 WeakPolarHBondContact CA-O 3.29Å; G107-F115 PolarHBondContact N-O 3.16Å; G107-F115 PolarHBondContact O-N 2.8Å; L109-F115 HydrophobicContact CD2-CE2 4.49Å; H113-F115 HydrophobicContact CB-CE2 3.63Å; H113-F115 HydrophobicContact CB-CZ 3.88Å; F115-R117 PolarHBondContact O-N 3.5Å; F115-L120 HydrophobicContact CB-CB 4.12Å; F115-L120 HydrophobicContact CD2-CD1 4.01Å; F115-L120 HydrophobicContact CG-CD1 4.48Å; F115-P131 HydrophobicContact CD1-CG 4.44Å; F115-P131 HydrophobicContact CE1-CB 4.08Å; F115-P131 HydrophobicContact CE1-CG 3.81Å; F115-P131 HydrophobicContact CE2-CG 4.45Å; F115-P131 HydrophobicContact CZ-CB 4.19Å; F115-P131 HydrophobicContact CZ-CG 3.82Å; F115-M132 HydrophobicContact CE1-CG 3.87Å; F115-M132 HydrophobicContact CZ-CB 4.37Å; F115-M132 HydrophobicContact CZ-CG 3.6Å
116H87.5Confident83.6Confident22 Ų2250 Ų5010%0.10225%0.247CC..EExtended strand (participates in β ladder)trans-57.7136.6167.7-65.8121.3000109.4C93 C96 F100 D104 K118 C119 L120C93-H116 VanDerWaalsContact CB-ND1 3.34Å; C93-H116 WeakPolarHBondContact CB-ND1 3.22Å; C96-H116 PolarHBondContact SG-ND1 3.4Å; F100-H116 AromaticContact CD1-CD2 3.66Å; F100-H116 AromaticContact CD1-CE1 3.87Å; F100-H116 AromaticContact CD1-NE2 3.35Å; F100-H116 WeakPolarHBondContact CD1-NE2 3.3Å; F100-H116 AromaticContact CE1-CD2 3.88Å; F100-H116 AromaticContact CE1-NE2 3.85Å; D104-H116 IonicContact OD2-CD2 3.89Å; D104-H116 IonicContact OD2-NE2 3.43Å; D104-H116 PolarHBondContact OD2-NE2 3.49Å; H116-K118 PolarHBondContact O-N 2.88Å; H116-C119 HydrophobicContact CB-CB 3.98Å; H116-C119 PolarHBondContact O-N 3.47Å; H116-L120 WeakPolarHBondContact O-CB 3.08Å; H116-L120 PolarHBondContact O-N 3.49Å
117R84.3Confident83.5Confident28 Ų2857.6 Ų57.611%0.10628%0.276CS..Hα-helixtrans-50.7-46.5178.3-178.4-161178.8170.319.2111.5H65 E76 E105 F115 C119 L120 V121H65-R117 PolarHBondContact CE1-NH1 2.71Å; H65-R117 PolarHBondContact CE1-NH2 3.46Å; H65-R117 PolarHBondContact ND1-NH2 2.85Å; E76-R117 VanDerWaalsContact OE1-CD 3.29Å; E76-R117 WeakPolarHBondContact OE1-CD 3.23Å; E76-R117 IonicContact OE1-CZ 3.01Å; E76-R117 IonicContact OE1-NE 3.34Å; E76-R117 PolarHBondContact OE1-NE 3.4Å; E76-R117 IonicContact OE1-NH1 3.51Å; E76-R117 PolarHBondContact OE1-NH1 2.9Å; E76-R117 IonicContact OE1-NH2 2.75Å; E76-R117 IonicContact OE2-CZ 3.69Å; E76-R117 IonicContact OE2-NE 3.91Å; E76-R117 IonicContact OE2-NH2 3.05Å; E105-R117 HydrophobicContact CB-CB 3.86Å; E105-R117 VanDerWaalsContact CD-NH1 3.31Å; E105-R117 WeakPolarHBondContact O-CB 3.48Å; E105-R117 PolarHBondContact O-N 2.87Å; E105-R117 IonicContact OE1-NH1 3.67Å; E105-R117 PolarHBondContact OE1-NH1 2.86Å; E105-R117 WeakPolarHBondContact OE2-CD 3.42Å; E105-R117 IonicContact OE2-CZ 3.6Å; E105-R117 IonicContact OE2-NE 3.85Å; E105-R117 IonicContact OE2-NH1 3.35Å; E105-R117 PolarHBondContact OE2-NH1 3.39Å; F115-R117 PolarHBondContact O-N 3.5Å; R117-C119 PolarHBondContact O-N 3.44Å; R117-L120 PolarHBondContact O-N 2.89Å; R117-V121 HydrophobicContact CG-CG2 4.43Å; R117-V121 WeakPolarHBondContact O-CB 3.24Å; R117-V121 VanDerWaalsContact O-CG2 3.25Å; R117-V121 WeakPolarHBondContact O-CG2 3.25Å; R117-V121 PolarHBondContact O-N 2.9Å
118K84.3Confident83.4Confident159 Ų15961 Ų6169%0.69130%0.299SS*.Hα-helixtrans-61.7-43.3178.7-64.4179.9-177.1173.80112.5H116 K122H116-K118 PolarHBondContact O-N 2.88Å; K118-K122 WeakPolarHBondContact O-CG 3.45Å; K118-K122 PolarHBondContact O-N 3.38Å
119C86.1Confident83.5Confident22 Ų2262.2 Ų62.215%0.14931%0.306CS..Hα-helixtrans-68.6-40.8178.7-63.80000111.2V95 C96 H116 R117 W123V95-C119 HydrophobicContact CB-CB 3.89Å; V95-C119 HydrophobicContact CG1-CB 3.87Å; V95-C119 HydrophobicContact CG2-CB 4.46Å; C96-C119 VanDerWaalsContact SG-SG 3.7Å; H116-C119 HydrophobicContact CB-CB 3.98Å; H116-C119 PolarHBondContact O-N 3.47Å; R117-C119 PolarHBondContact O-N 3.44Å; C119-W123 WeakPolarHBondContact O-CB 3.33Å; C119-W123 PolarHBondContact O-N 3.2Å
120L85.3Confident83.7Confident0 Ų062 Ų620%031%0.305CS..Hα-helixtrans-64.1-51.6178.1-176.461.4000111Y74 L109 F115 H116 R117 K122 W123 L124Y74-L120 HydrophobicContact CD1-CD2 4.29Å; Y74-L120 HydrophobicContact CD2-CD2 4.06Å; Y74-L120 HydrophobicContact CG-CD2 3.82Å; L109-L120 HydrophobicContact CD1-CD1 3.43Å; L109-L120 VanDerWaalsContact CD1-CD1 3.43Å; L109-L120 HydrophobicContact CD1-CD2 3.43Å; L109-L120 VanDerWaalsContact CD1-CD2 3.43Å; L109-L120 HydrophobicContact CD1-CG 4.01Å; F115-L120 HydrophobicContact CB-CB 4.12Å; F115-L120 HydrophobicContact CD2-CD1 4.01Å; F115-L120 HydrophobicContact CG-CD1 4.48Å; H116-L120 WeakPolarHBondContact O-CB 3.08Å; H116-L120 PolarHBondContact O-N 3.49Å; R117-L120 PolarHBondContact O-N 2.89Å; L120-K122 VanDerWaalsContact C-N 3.34Å; L120-K122 PolarHBondContact O-N 3.38Å; L120-W123 WeakPolarHBondContact O-CB 3.23Å; L120-W123 PolarHBondContact O-N 3.14Å; L120-L124 HydrophobicContact CD1-CD1 4Å; L120-L124 HydrophobicContact CD1-CD2 4.25Å; L120-L124 HydrophobicContact CD1-CG 3.96Å; L120-L124 HydrophobicContact CD2-CD1 4.4Å; L120-L124 HydrophobicContact CG-CD1 3.86Å; L120-L124 HydrophobicContact CG-CG 4.15Å; L120-L124 VanDerWaalsContact O-CG 3.26Å; L120-L124 WeakPolarHBondContact O-CG 3.48Å; L120-L124 PolarHBondContact O-N 3.46Å
121V83.6Confident84Confident13 Ų1359.4 Ų59.48%0.07929%0.288CS..Hα-helixtrans-56.2-48.5179.7170.90000110.9Y74 R117 W123 L124 E125Y74-V121 HydrophobicContact CE1-CG2 4.48Å; R117-V121 HydrophobicContact CG-CG2 4.43Å; R117-V121 WeakPolarHBondContact O-CB 3.24Å; R117-V121 VanDerWaalsContact O-CG2 3.25Å; R117-V121 WeakPolarHBondContact O-CG2 3.25Å; R117-V121 PolarHBondContact O-N 2.9Å; V121-W123 VanDerWaalsContact C-N 3.29Å; V121-W123 PolarHBondContact O-N 2.88Å; V121-L124 PolarHBondContact O-N 3.06Å; V121-E125 WeakPolarHBondContact O-CG 3.27Å; V121-E125 PolarHBondContact O-N 2.75Å
122K84.9Confident84.1Confident149 Ų14963.1 Ų63.165%0.64830%0.304SS*.Hα-helixtrans-59.1-38.6176.2-75-179.2179.9-1760113K118 L120K118-K122 WeakPolarHBondContact O-CG 3.45Å; K118-K122 PolarHBondContact O-N 3.38Å; L120-K122 VanDerWaalsContact C-N 3.34Å; L120-K122 PolarHBondContact O-N 3.38Å
123W87Confident84.4Confident86 Ų8657.6 Ų57.633%0.32628%0.282SS..Hα-helixtrans-66.6-45.2176.6-179-92.6000111.3C119 L120 V121 E125 V126 R127 V129 P131C119-W123 WeakPolarHBondContact O-CB 3.33Å; C119-W123 PolarHBondContact O-N 3.2Å; L120-W123 WeakPolarHBondContact O-CB 3.23Å; L120-W123 PolarHBondContact O-N 3.14Å; V121-W123 VanDerWaalsContact C-N 3.29Å; V121-W123 PolarHBondContact O-N 2.88Å; W123-E125 VanDerWaalsContact C-N 3.28Å; W123-E125 PolarHBondContact O-N 2.88Å; W123-V126 PolarHBondContact O-N 2.83Å; W123-R127 PolarHBondContact O-N 3.44Å; W123-V129 PolarHBondContact NE1-O 3.24Å; W123-P131 HydrophobicContact CD2-CG 3.92Å; W123-P131 HydrophobicContact CG-CG 3.99Å; W123-P131 HydrophobicContact CZ2-CB 4.18Å; W123-P131 HydrophobicContact CZ2-CG 4.24Å
124L81.9Confident84.4Confident3 Ų361.5 Ų61.52%0.01630%0.304CS..Hα-helixtrans-69.3-23.8-179.1-60.8-174.4000113.9F72 Y74 L120 V121 V126 R127 I137F72-L124 HydrophobicContact CB-CD1 3.73Å; F72-L124 HydrophobicContact CD1-CB 3.67Å; F72-L124 HydrophobicContact CD1-CD1 3.84Å; F72-L124 HydrophobicContact CD1-CG 4.32Å; F72-L124 HydrophobicContact CE1-CB 3.6Å; F72-L124 WeakPolarHBondContact CE1-O 3.43Å; F72-L124 HydrophobicContact CE2-CB 4.5Å; F72-L124 HydrophobicContact CG-CB 4.17Å; F72-L124 HydrophobicContact CG-CD1 3.83Å; F72-L124 HydrophobicContact CZ-CB 4.04Å; Y74-L124 HydrophobicContact CD1-CD1 4.34Å; L120-L124 HydrophobicContact CD1-CD1 4Å; L120-L124 HydrophobicContact CD1-CD2 4.25Å; L120-L124 HydrophobicContact CD1-CG 3.96Å; L120-L124 HydrophobicContact CD2-CD1 4.4Å; L120-L124 HydrophobicContact CG-CD1 3.86Å; L120-L124 HydrophobicContact CG-CG 4.15Å; L120-L124 VanDerWaalsContact O-CG 3.26Å; L120-L124 WeakPolarHBondContact O-CG 3.48Å; L120-L124 PolarHBondContact O-N 3.46Å; V121-L124 PolarHBondContact O-N 3.06Å; L124-V126 PolarHBondContact O-N 3.26Å; L124-R127 WeakPolarHBondContact CA-O 3.35Å; L124-I137 HydrophobicContact CD1-CD1 4.24Å; L124-I137 HydrophobicContact CD2-CD1 3.09Å; L124-I137 HydrophobicContact CG-CD1 4.3Å
125E81.3Confident84.4Confident114 Ų11466.1 Ų66.153%0.53332%0.323SS..Hα-helixtrans-62.9-26.4168.4-75.8176169.700112.6Q68 V121 W123Q68-E125 PolarHBondContact NE2-OE1 2.86Å; V121-E125 WeakPolarHBondContact O-CG 3.27Å; V121-E125 PolarHBondContact O-N 2.75Å; W123-E125 VanDerWaalsContact C-N 3.28Å; W123-E125 PolarHBondContact O-N 2.88Å
126V83.1Confident84Confident119 Ų11970.2 Ų70.272%0.72135%0.35SS*.Hα-helixtrans-100.2-47.4179.3-172.10000111.4W123 L124W123-V126 PolarHBondContact O-N 2.83Å; L124-V126 PolarHBondContact O-N 3.26Å
127R81.4Confident83.5Confident161 Ų16170 Ų7061%0.60835%0.35SS*.  trans-141.6123.2-178.1-58-161.2177.9-1670.9112W123 L124 V129W123-R127 PolarHBondContact O-N 3.44Å; L124-R127 WeakPolarHBondContact CA-O 3.35Å; R127-V129 HydrophobicContact CB-CG2 4.02Å; R127-V129 PolarHBondContact O-N 2.93Å
128C82.4Confident82.5Confident71 Ų7172.6 Ų72.648%0.4838%0.377SS..SBendtrans-78.542.7176.3-60.50000113.9I137C128-I137 PolarHBondContact O-N 3.34Å; C128-I137 VanDerWaalsContact O-N 3.14Å
129V85.2Confident81.1Confident37 Ų3768.2 Ų68.222%0.22438%0.377CS..BIsolated β-bridgetrans-130152.7-179.7-57.70000111.1W123 R127 K135W123-V129 PolarHBondContact NE1-O 3.24Å; R127-V129 HydrophobicContact CB-CG2 4.02Å; R127-V129 PolarHBondContact O-N 2.93Å; V129-K135 CarbonylContact C-O 3.57Å; V129-K135 WeakPolarHBondContact CA-O 3.46Å
130C86.3Confident78.9Confident0 Ų072.7 Ų72.70%041%0.406CS..  trans-67.9126.9175.7-178.40000111.9L109 C111 M132 C133 N134 K135L109-C130 HydrophobicContact CD2-CB 3.64Å; C111-C130 PolarHBondContact SG-SG 2.94Å; C130-M132 PolarHBondContact O-N 2.78Å; C130-M132 PolarHBondContact SG-N 3.25Å; C130-M132 VanDerWaalsContact SG-N 3.45Å; C130-C133 VanDerWaalsContact CB-SG 3.55Å; C130-C133 PolarHBondContact O-N 3.33Å; C130-N134 VanDerWaalsContact O-CA 3.23Å; C130-N134 WeakPolarHBondContact O-CA 3.3Å; C130-N134 PolarHBondContact O-N 3.05Å; C130-K135 PolarHBondContact N-O 2.79Å
131P84.9Confident76.8Confident36 Ų3678.5 Ų78.523%0.23444%0.443CS..THydrogen-bonded Turntrans-59.3-28.7175.9-19.526.2000114.5V95 F115 W123V95-P131 HydrophobicContact CG2-CB 4.48Å; V95-P131 HydrophobicContact CG2-CG 4Å; F115-P131 HydrophobicContact CD1-CG 4.44Å; F115-P131 HydrophobicContact CE1-CB 4.08Å; F115-P131 HydrophobicContact CE1-CG 3.81Å; F115-P131 HydrophobicContact CE2-CG 4.45Å; F115-P131 HydrophobicContact CZ-CB 4.19Å; F115-P131 HydrophobicContact CZ-CG 3.82Å; W123-P131 HydrophobicContact CD2-CG 3.92Å; W123-P131 HydrophobicContact CG-CG 3.99Å; W123-P131 HydrophobicContact CZ2-CB 4.18Å; W123-P131 HydrophobicContact CZ2-CG 4.24Å
132M83Confident74.7Confident104 Ų10486.4 Ų86.451%0.51248%0.48SS..THydrogen-bonded Turntrans-88.1-31.9-174.4-69.1-74.4-7600113.2A94 H113 F115 C130A94-M132 HydrophobicContact CB-CG 4.23Å; A94-M132 HydrophobicContact CB-SD 3.47Å; A94-M132 WeakPolarHBondContact CB-SD 3.32Å; H113-M132 HydrophobicContact CB-CG 4.48Å; F115-M132 HydrophobicContact CE1-CG 3.87Å; F115-M132 HydrophobicContact CZ-CB 4.37Å; F115-M132 HydrophobicContact CZ-CG 3.6Å; C130-M132 PolarHBondContact O-N 2.78Å; C130-M132 PolarHBondContact SG-N 3.25Å; C130-M132 VanDerWaalsContact SG-N 3.45Å
133C84.5Confident72.5Confident40 Ų4087.7 Ų87.727%0.2749%0.488SS..THydrogen-bonded Turntrans-1378.6-170.770.50000114.5C130 K135C130-C133 VanDerWaalsContact CB-SG 3.55Å; C130-C133 PolarHBondContact O-N 3.33Å; C133-K135 PolarHBondContact O-N 2.74Å; C133-K135 WeakPolarHBondContact SG-CE 3.31Å; C133-K135 PolarHBondContact SG-NZ 3.15Å
134N85.4Confident70.3Confident120 Ų12092.6 Ų92.664%0.64251%0.514SS*.  trans53.114.3178.4-109.523.2000116.4C130C130-N134 VanDerWaalsContact O-CA 3.23Å; C130-N134 WeakPolarHBondContact O-CA 3.3Å; C130-N134 PolarHBondContact O-N 3.05Å
135K82.7Confident68.3Low103 Ų10399.2 Ų99.245%0.44855%0.545SS..  trans-75.4136.2178.6-72.9-168-77-80.50110.4C111 V129 C130 C133C111-K135 VanDerWaalsContact CB-CE 3.43Å; V129-K135 CarbonylContact C-O 3.57Å; V129-K135 WeakPolarHBondContact CA-O 3.46Å; C130-K135 PolarHBondContact N-O 2.79Å; C133-K135 PolarHBondContact O-N 2.74Å; C133-K135 WeakPolarHBondContact SG-CE 3.31Å; C133-K135 PolarHBondContact SG-NZ 3.15Å
136P79.8Confident66.3Low88 Ų8897.9 Ų97.957%0.57155%0.548SS*.BIsolated β-bridgetrans-67.7154.1175.929.4-34.5000111.4
137I76.8Confident64.7Low18 Ų18100.5 Ų100.59%0.09256%0.556CS.*SBendtrans-103.1-7.3-173.6-58.7159.2000111.7F72 L109 L124 C128F72-I137 WeakPolarHBondContact O-CG2 3.42Å; L109-I137 HydrophobicContact CD1-CD1 4.37Å; L109-I137 HydrophobicContact CD2-CD1 3.46Å; L109-I137 VanDerWaalsContact CD2-CD1 3.46Å; L109-I137 HydrophobicContact CD2-CG1 3.67Å; L109-I137 HydrophobicContact CG-CD1 3.94Å; L109-I137 HydrophobicContact CG-CG1 3.99Å; L124-I137 HydrophobicContact CD1-CD1 4.24Å; L124-I137 HydrophobicContact CD2-CD1 3.09Å; L124-I137 HydrophobicContact CG-CD1 4.3Å; C128-I137 PolarHBondContact O-N 3.34Å; C128-I137 VanDerWaalsContact O-N 3.14Å
138A62.1Low62.9Low81 Ų8195.6 Ų95.667%0.66956%0.555SS**SBendtrans-73.5123.6167.300000109.5
139G56.1Low61.3Low67 Ų6798.2 Ų98.269%0.69157%0.569SS**SBendtrans-70.8-175.6171.700000112.2
140P38.5Very low59.5Low117 Ų117104 Ų10476%0.7660%0.598SS**SBendcis-65.3-178.6-46.4-5.226.1000111.2E142P140-E142 PolarHBondContact O-N 3.03Å
141P40.8Very low57.9Low121 Ų121112 Ų11279%0.78664%0.64SS**  trans-75.190.5-173.533.1-33.3000110.8Q143P141-Q143 PolarHBondContact O-N 3.4Å
142E40.2Very low56.1Low180 Ų180117.4 Ų117.484%0.84167%0.667SS**  trans-73.5105.8154.9-83.6-83.7113.700106.6P140 H144P140-E142 PolarHBondContact O-N 3.03Å; E142-H144 PolarHBondContact O-N 2.83Å
143Q39.1Very low55Low176 Ų176120 Ų12082%0.82268%0.678SS**  trans-52.699.8170.6-66.9172.2-1600108.3P141 H145P141-Q143 PolarHBondContact O-N 3.4Å; Q143-H145 PolarHBondContact O-N 3.27Å
144H41.3Very low53.5Low189 Ų189125.7 Ų125.788%0.87571%0.705SS**  trans-73.376.4156.9-143.1-98.2000106.2E142 S146E142-H144 PolarHBondContact O-N 2.83Å; H144-S146 PolarHBondContact O-N 3.09Å; H144-S146 VanDerWaalsContact O-N 3.07Å
145H39.3Very low51.6Low142 Ų142130.4 Ų130.466%0.65774%0.738SS**  trans-50.3115.1162-168.678.4000105.5Q143 I147Q143-H145 PolarHBondContact O-N 3.27Å; H145-I147 VanDerWaalsContact C-N 3.3Å; H145-I147 PolarHBondContact O-N 3.29Å
146S39.4Very low50Low85 Ų85131.8 Ų131.859%0.59475%0.752SS**  trans-43.191.9165.136.10000110.4H144 G148H144-S146 PolarHBondContact O-N 3.09Å; H144-S146 VanDerWaalsContact O-N 3.07Å; S146-G148 PolarHBondContact O-N 3.17Å
147I49.2Very low48.5Very low174 Ų174134.1 Ų134.189%0.89276%0.762SS**  trans-76.182.5160.4-59.2176000105.3H145H145-I147 VanDerWaalsContact C-N 3.3Å; H145-I147 PolarHBondContact O-N 3.29Å
148G43.1Very low46.9Very low58 Ų58140.6 Ų140.660%0.59880%0.799SS**SBendtrans-176.938.2-174.900000112.5S146S146-G148 PolarHBondContact O-N 3.17Å
149T49.1Very low46Very low127 Ų127144.1 Ų144.178%0.77981%0.806SS**SBendtrans176.395.9156.440.50000108
150L47.3Very low45.4Very low157 Ų157148.9 Ų148.982%0.82281%0.814SS**  trans179.759.7146.5-93.6180000107.7
151L53.3Low45.8Very low170 Ų170151 Ų15189%0.8982%0.817SS**  trans-98.471153-74.7178.1000106.4
152D48.1Very low46.2Very low149 Ų149153.1 Ų153.180%0.79782%0.819SS**SBendtrans-160.26.4169.5-99.4-40.6000116.2
153E58.6Low46.7Very low158 Ų158151.1 Ų151.174%0.73882%0.818SS**SBendtrans-143.8109.9172.7-77.3-84.4105.500110.2
154L53.7Low47.3Very low159 Ų159149 Ų14983%0.83282%0.817SS**  trans88.981155.6-48.2172.8000119.2
155V45.1Very low47.8Very low220 Ų220145.4 Ų145.4100%1.33381%0.812SS**  -159.30112.4149.40000108.6

Retrieved 155 of 155 residues in 244.2 ms (Link to these results)