RING2_HUMAN Loading...

E3 ubiquitin-protein ligase RING2

E3 ubiquitin-protein ligase that mediates monoubiquitination of 'Lys-119' of histone H2A (H2AK119Ub), thereby playing a central role in histone code and gene regulation1,2,3,4,5,6,7. H2AK119Ub gives a specific tag for epigenetic transcriptional repression and participates in X chromosome inactivation of female mammals. May be involved in the initiation of both imprinted and random X inactivation (By similarity). Essential component of a Polycomb group (PcG) multiprotein PRC1-like complex, a complex class required to maintain the transcriptionally repressive state of many genes, including Hox genes, throughout development8,9. PcG PRC1 complex acts via chromatin remodeling and modification of histones, rendering chromatin heritably changed in its expressibility10. E3 ubiquitin-protein ligase activity is enhanced by BMI1/PCGF411. Acts as the main E3 ubiquitin ligase on histone H2A of the PRC1 complex, while RING1 may rather act as a modulator of RNF2/RING2 activity (Probable). Association with the chromosomal DNA is cell-cycle dependent. In resting B- and T-lymphocytes, interaction with AURKB leads to block its activity, thereby maintaining transcription in resting lymphocytes (By similarity). Also acts as a negative regulator of autophagy by mediating ubiquitination of AMBRA1, leading to its subsequent degradation (By similarity).

AlphaFold DB , UniProt , Accession Q99496, Species HUMAN (Homo sapiens, Human), Gene RNF2, Length 336 aa.

Structure Viewer
Loading PAE data...
(Predicted Aligned Error values between residue pairs)
Error loading PAE data: please refresh the page.

Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M40.9Very low52.9Low245 Ų245144.8 Ų144.8100%1.20784%0.838SS**  091.90-74.1158.9170.800108.2
2S45.9Very low56.2Low125 Ų125139.2 Ų139.287%0.87481%0.81SS**  trans-13894.7166.8-70.80000106.5A4S2-A4 PolarHBondContact O-N 2.89Å
3Q40.2Very low59Low195 Ų195138.5 Ų138.591%0.91180%0.8SS**  trans-75.3109.1172-70.6-177.912.800107.5V5Q3-V5 PolarHBondContact O-N 3.01Å
4A42.3Very low61.5Low95 Ų95135.6 Ų135.679%0.78579%0.793SS**  trans-73.2113.3167.700000108.3S2 Q6S2-A4 PolarHBondContact O-N 2.89Å; A4-Q6 PolarHBondContact O-N 3.28Å
5V46.5Very low63.7Low126 Ų126134.1 Ų134.176%0.76477%0.772SS**  trans-63120.2170.4171.20000108.2Q3 T7Q3-V5 PolarHBondContact O-N 3.01Å; V5-T7 PolarHBondContact O-N 2.97Å
6Q36Very low65.6Low191 Ų191130.8 Ų130.889%0.89376%0.755SS**  trans-65.1101.5174.3-69.4173.26.700109.4A4A4-Q6 PolarHBondContact O-N 3.28Å
7T45.3Very low67.4Low124 Ų124134.2 Ų134.276%0.76175%0.753SS**  trans-85.5121.9164.255.40000108.5V5 G9V5-T7 PolarHBondContact O-N 2.97Å; T7-G9 PolarHBondContact O-N 3.14Å; T7-G9 VanDerWaalsContact O-N 3.08Å
8N53Low69Low160 Ų160133.2 Ų133.286%0.85674%0.741SS**  trans-41.1111.4176.6-85.1-24.2000113.7T10N8-T10 PolarHBondContact O-N 3.37Å
9G61.5Low70.5Confident75 Ų75131.3 Ų131.377%0.77373%0.729SS**  trans65.94134.700000121.2T7 Q11T7-G9 PolarHBondContact O-N 3.14Å; T7-G9 VanDerWaalsContact O-N 3.08Å; G9-Q11 PolarHBondContact O-N 3.39Å
10T81.1Confident71.8Confident136 Ų136127.5 Ų127.583%0.83471%0.711SS**  trans-79.8113.3179.9-53.80000110.4N8N8-T10 PolarHBondContact O-N 3.37Å
11Q89.5Confident73Confident121 Ų121128.6 Ų128.657%0.56572%0.715SS**  trans-67.1151.2176.5-68-68.2-13.600111.3G9 K15G9-Q11 PolarHBondContact O-N 3.39Å; Q11-K15 HydrophobicContact CB-CB 4.48Å
12P92.5Very high75.7Confident77 Ų77123.4 Ų123.450%0.568%0.683SS.*  trans-54.9144.9172.5-23.933.7000111.6S14 K15 T16P12-S14 PolarHBondContact O-N 2.75Å; P12-S14 VanDerWaalsContact O-N 3.16Å; P12-K15 HydrophobicContact CB-CB 4.48Å; P12-K15 WeakPolarHBondContact O-CA 3.49Å; P12-K15 WeakPolarHBondContact O-CB 3.43Å; P12-K15 PolarHBondContact O-N 3.44Å; P12-T16 PolarHBondContact O-N 3.04Å; P12-T16 PolarHBondContact O-OG1 3.46Å
13L92.2Very high78.2Confident130 Ų130121.4 Ų121.468%0.68166%0.66SS**Hα-helixtrans-56.3-36.5-178.1-168.868.9000112.4K15 T16 W17L13-K15 VanDerWaalsContact C-N 3.28Å; L13-K15 PolarHBondContact O-N 3.13Å; L13-T16 PolarHBondContact O-N 3.07Å; L13-W17 VanDerWaalsContact O-CD1 3.22Å; L13-W17 PolarHBondContact O-N 3.06Å
14S93.8Very high80.9Confident99 Ų99117.8 Ų117.869%0.69265%0.646SS**Hα-helixtrans-62.3-34174.952.80000112.9P12 E18P12-S14 PolarHBondContact O-N 2.75Å; P12-S14 VanDerWaalsContact O-N 3.16Å; S14-E18 WeakPolarHBondContact O-CB 3.43Å; S14-E18 PolarHBondContact O-N 2.86Å
15K94.5Very high83.5Confident112 Ų112119.2 Ų119.249%0.48764%0.637SS.*Hα-helixtrans-80.5-38.7179.1-173.257.3178.5177.30112.1Q11 P12 L13 W17 E18Q11-K15 HydrophobicContact CB-CB 4.48Å; P12-K15 HydrophobicContact CB-CB 4.48Å; P12-K15 WeakPolarHBondContact O-CA 3.49Å; P12-K15 WeakPolarHBondContact O-CB 3.43Å; P12-K15 PolarHBondContact O-N 3.44Å; L13-K15 VanDerWaalsContact C-N 3.28Å; L13-K15 PolarHBondContact O-N 3.13Å; K15-W17 VanDerWaalsContact C-N 3.27Å; K15-W17 PolarHBondContact O-N 2.75Å; K15-E18 WeakPolarHBondContact CD-OE2 3.32Å; K15-E18 WeakPolarHBondContact CE-OE2 3.3Å; K15-E18 IonicContact NZ-OE2 2.87Å; K15-E18 PolarHBondContact NZ-OE2 3.24Å; K15-E18 PolarHBondContact O-N 2.94Å
16T94.5Very high85.9Confident81 Ų81119.8 Ų119.850%0.49763%0.625SS.*Hα-helixtrans-61.5-34.8179.8-580000112.7P12 L13P12-T16 PolarHBondContact O-N 3.04Å; P12-T16 PolarHBondContact O-OG1 3.46Å; L13-T16 PolarHBondContact O-N 3.07Å
17W95.7Very high88.8Confident190 Ų190115.7 Ų115.772%0.7261%0.613SS**THydrogen-bonded Turntrans-107.212.6-179.5-54.6111.7000113.3L13 K15 L19L13-W17 VanDerWaalsContact O-CD1 3.22Å; L13-W17 PolarHBondContact O-N 3.06Å; K15-W17 VanDerWaalsContact C-N 3.27Å; K15-W17 PolarHBondContact O-N 2.75Å; W17-L19 PolarHBondContact O-N 3.19Å
18E96.2Very high91.2Very high115 Ų115114.5 Ų114.554%0.53761%0.608SS.*PPolyproline II helixtrans-71.6117173.4-173.5-179.5-164.800109.1S14 K15S14-E18 WeakPolarHBondContact O-CB 3.43Å; S14-E18 PolarHBondContact O-N 2.86Å; K15-E18 WeakPolarHBondContact CD-OE2 3.32Å; K15-E18 WeakPolarHBondContact CE-OE2 3.3Å; K15-E18 IonicContact NZ-OE2 2.87Å; K15-E18 PolarHBondContact NZ-OE2 3.24Å; K15-E18 PolarHBondContact O-N 2.94Å
19L97.2Very high93.3Very high98 Ų98114.1 Ų114.151%0.51360%0.601SS.*PPolyproline II helixtrans-79.1133.8176.2-58.5-177.9000110.3W17 E23 L24W17-L19 PolarHBondContact O-N 3.19Å; L19-E23 HydrophobicContact CB-CB 4.06Å; L19-E23 HydrophobicContact CD2-CB 4.23Å; L19-L24 HydrophobicContact CB-CD2 4.06Å; L19-L24 HydrophobicContact CB-CG 4.14Å; L19-L24 HydrophobicContact CD1-CD2 4.02Å
20S96.7Very high94.9Very high54 Ų54118.4 Ų118.438%0.37860%0.601SS.*PPolyproline II helixtrans-66.1162.8169.264.30000111.8Y22 E23 L24S20-Y22 PolarHBondContact O-N 3.47Å; S20-Y22 VanDerWaalsContact O-N 3.16Å; S20-E23 WeakPolarHBondContact CB-OE2 3.36Å; S20-E23 PolarHBondContact N-OE2 3Å; S20-E23 PolarHBondContact O-N 3.19Å; S20-E23 WeakPolarHBondContact OG-CG 3.49Å; S20-E23 PolarHBondContact OG-N 2.93Å; S20-E23 PolarHBondContact OG-OE2 3.07Å; S20-L24 PolarHBondContact O-N 2.88Å; S20-L24 VanDerWaalsContact O-N 3.11Å
21L97.5Very high95.5Very high152 Ų152115.8 Ų115.880%0.79659%0.593SS**THydrogen-bonded Turntrans-56.7-30.7173.7-63.2-179.8000112.5L24L21-L24 HydrophobicContact CD2-CD1 4.42Å
22Y97.6Very high95.7Very high136 Ų136115.9 Ų115.953%0.53360%0.596SS.*THydrogen-bonded Turntrans-68-47.6173.2167.2-102.6000111.7S20 L24 Q25 R26S20-Y22 PolarHBondContact O-N 3.47Å; S20-Y22 VanDerWaalsContact O-N 3.16Å; Y22-L24 VanDerWaalsContact C-N 3.3Å; Y22-L24 PolarHBondContact O-N 2.69Å; Y22-Q25 PolarHBondContact O-N 3.4Å; Y22-Q25 PolarHBondContact O-NE2 3.04Å; Y22-R26 HydrophobicContact CE1-CB 4.38Å; Y22-R26 PolarHBondContact O-N 3.28Å; Y22-R26 VanDerWaalsContact O-N 3.08Å
23E97.6Very high95.7Very high83 Ų83118.8 Ų118.839%0.38861%0.612SS.*G310 helixtrans-67.2-29.8-176.5-72.8160.8130.300113.2L19 S20 Q25 R26L19-E23 HydrophobicContact CB-CB 4.06Å; L19-E23 HydrophobicContact CD2-CB 4.23Å; S20-E23 WeakPolarHBondContact CB-OE2 3.36Å; S20-E23 PolarHBondContact N-OE2 3Å; S20-E23 PolarHBondContact O-N 3.19Å; S20-E23 WeakPolarHBondContact OG-CG 3.49Å; S20-E23 PolarHBondContact OG-N 2.93Å; S20-E23 PolarHBondContact OG-OE2 3.07Å; E23-Q25 PolarHBondContact O-N 3.42Å; E23-R26 WeakPolarHBondContact O-CG 3.39Å; E23-R26 PolarHBondContact O-N 3.13Å
24L97.4Very high95.6Very high119 Ų119117.9 Ų117.962%0.62361%0.608SS**G310 helixtrans-62.7-22.9176.2-72.6171.8000113.7L19 S20 L21 Y22L19-L24 HydrophobicContact CB-CD2 4.06Å; L19-L24 HydrophobicContact CB-CG 4.14Å; L19-L24 HydrophobicContact CD1-CD2 4.02Å; S20-L24 PolarHBondContact O-N 2.88Å; S20-L24 VanDerWaalsContact O-N 3.11Å; L21-L24 HydrophobicContact CD2-CD1 4.42Å; Y22-L24 VanDerWaalsContact C-N 3.3Å; Y22-L24 PolarHBondContact O-N 2.69Å
25Q96.3Very high95.3Very high125 Ų125117 Ų11758%0.58461%0.614SS**G310 helixtrans-123.19.1-178.462.375.259.200113.5Y22 E23 T27Y22-Q25 PolarHBondContact O-N 3.4Å; Y22-Q25 PolarHBondContact O-NE2 3.04Å; E23-Q25 PolarHBondContact O-N 3.42Å; Q25-T27 PolarHBondContact O-N 3.06Å
26R97.1Very high95.1Very high138 Ų138117.1 Ų117.152%0.52162%0.62SS.*PPolyproline II helixtrans-62.9138.7-176.271.9-176.1-69.6-112-4.5111.1Y22 E23Y22-R26 HydrophobicContact CE1-CB 4.38Å; Y22-R26 PolarHBondContact O-N 3.28Å; Y22-R26 VanDerWaalsContact O-N 3.08Å; E23-R26 WeakPolarHBondContact O-CG 3.39Å; E23-R26 PolarHBondContact O-N 3.13Å
27T97Very high94.7Very high104 Ų104121.2 Ų121.264%0.63863%0.633SS**PPolyproline II helixtrans-88156.1169.755.40000110.6Q25Q25-T27 PolarHBondContact O-N 3.06Å
28P97.3Very high94.4Very high100 Ų100118.8 Ų118.865%0.64963%0.633SS**PPolyproline II helixtrans-55.5148.4170.8-24.435.2000111.9
29Q96Very high93.9Very high151 Ų151120.3 Ų120.371%0.70665%0.65SS**  trans-87.1115167-69-68.6-13.400107.2
30E95.9Very high93.4Very high166 Ų166119.5 Ų119.578%0.77665%0.649SS**PPolyproline II helixtrans-61.7136.1-178.2-65.5-61.5155.400110.6
31A93.5Very high92.7Very high80 Ų80120 Ų12066%0.66165%0.652SS**PPolyproline II helixtrans-70.1138.4178.600000110.1T33A31-T33 PolarHBondContact O-N 3.39Å
32I93.4Very high92Very high124 Ų124115.3 Ų115.364%0.63663%0.631SS**PPolyproline II helixtrans-72117.2173.3-62.5163.8000107.7D34 L36I32-D34 WeakPolarHBondContact CG2-OD1 3.41Å; I32-L36 HydrophobicContact CD1-CD2 4.22Å; I32-L36 HydrophobicContact CG2-CB 3.97Å; I32-L36 HydrophobicContact CG2-CD2 4.19Å
33T92.4Very high91Very high137 Ų137115.7 Ų115.784%0.8463%0.631SS**  trans-115.82-179.760.90000113.2A31A31-T33 PolarHBondContact O-N 3.39Å
34D90.5Very high90.4Very high112 Ų112115 Ų11560%0.59964%0.636SS**SBendtrans-83.1174171.3627.5000110.5I32 L36I32-D34 WeakPolarHBondContact CG2-OD1 3.41Å; D34-L36 PolarHBondContact O-N 2.96Å; D34-L36 WeakPolarHBondContact OD1-CB 3.47Å; D34-L36 PolarHBondContact OD1-N 2.7Å
35G87.3Confident89.8Confident79 Ų79111.9 Ų111.981%0.81462%0.619SS**  trans-75.926.7178.600000113.9E37G35-E37 PolarHBondContact O-N 3.44Å
36L89.9Confident89.2Confident115 Ų115108.8 Ų108.860%0.60261%0.605SS**PPolyproline II helixtrans-63.8121.5-179.3-179.463.1000110.6I32 D34I32-L36 HydrophobicContact CD1-CD2 4.22Å; I32-L36 HydrophobicContact CG2-CB 3.97Å; I32-L36 HydrophobicContact CG2-CD2 4.19Å; D34-L36 PolarHBondContact O-N 2.96Å; D34-L36 WeakPolarHBondContact OD1-CB 3.47Å; D34-L36 PolarHBondContact OD1-N 2.7Å
37E87Confident88.8Confident168 Ų168106.3 Ų106.379%0.78561%0.609SS**PPolyproline II helixtrans-82150.1178-64.1-172.3165.900111.8G35 V39G35-E37 PolarHBondContact O-N 3.44Å; E37-V39 PolarHBondContact O-N 3.36Å
38I87.8Confident88.6Confident138 Ų138106.4 Ų106.471%0.70860%0.602SS**PPolyproline II helixtrans-70.9121.1177.5-60.8172.9000108.8V40I38-V40 HydrophobicContact CG2-CB 4.35Å; I38-V40 HydrophobicContact CG2-CG2 3.33Å; I38-V40 PolarHBondContact O-N 2.99Å
39V86.7Confident88.4Confident147 Ų147101.9 Ų101.989%0.89157%0.572SS**SBendtrans-72.4-19.2-178.9-175.30000112.6E37E37-V39 PolarHBondContact O-N 3.36Å
40V85.8Confident88.3Confident82 Ų8296.9 Ų96.950%0.49755%0.549SS..SBendtrans-89.6136.9-179.6-620000111.9I38I38-V40 HydrophobicContact CG2-CB 4.35Å; I38-V40 HydrophobicContact CG2-CG2 3.33Å; I38-V40 PolarHBondContact O-N 2.99Å
41S83.3Confident88.3Confident64 Ų6489 Ų8945%0.44851%0.512SS..  trans-64.9136.2171.3-178.80000109.9R43 S44S41-R43 PolarHBondContact O-N 3.42Å; S41-R43 PolarHBondContact OG-N 3.05Å; S41-S44 WeakPolarHBondContact O-CB 3.43Å; S41-S44 PolarHBondContact O-N 3.4Å; S41-S44 PolarHBondContact O-OG 3.02Å
42P82.4Confident88.5Confident53 Ų5388.2 Ų88.234%0.34450%0.5SS..G310 helixtrans-49.9-29.3172.8-31.837.4000114.2S44 L45 I113 Y114P42-S44 PolarHBondContact O-N 3.17Å; P42-L45 WeakPolarHBondContact O-CB 3.29Å; P42-L45 PolarHBondContact O-N 3.37Å; P42-I113 HydrophobicContact CB-CG2 3.83Å; P42-I113 HydrophobicContact CG-CG2 4.41Å; P42-Y114 HydrophobicContact CB-CE1 3.91Å; P42-Y114 HydrophobicContact CB-CE2 4.18Å; P42-Y114 PolarHBondContact O-OH 3.43Å
43R76.6Confident88.6Confident144 Ų14485.3 Ų85.354%0.54349%0.486SS..G310 helixtrans-60-28.6178-63.2176.1-170.8-87.3-3.9113.4S41 L45 H46 Y114 H123S41-R43 PolarHBondContact O-N 3.42Å; S41-R43 PolarHBondContact OG-N 3.05Å; R43-L45 PolarHBondContact O-N 3.11Å; R43-H46 VanDerWaalsContact O-CB 3.28Å; R43-H46 WeakPolarHBondContact O-CB 3.08Å; R43-H46 PolarHBondContact O-N 3.4Å; R43-Y114 PolarHBondContact N-OH 2.85Å; R43-H123 VanDerWaalsContact CZ-NE2 3.29Å; R43-H123 PolarHBondContact NH1-CD2 3.32Å; R43-H123 PolarHBondContact NH1-NE2 3.44Å; R43-H123 PolarHBondContact NH2-CD2 2.87Å; R43-H123 VanDerWaalsContact NH2-CD2 3.33Å; R43-H123 PolarHBondContact NH2-CE1 2.92Å; R43-H123 PolarHBondContact NH2-NE2 3.15Å
44S84.2Confident88.7Confident69 Ų6981.5 Ų81.548%0.48346%0.464SS..G310 helixtrans-64.7-19.9176.163.80000112.9S41 P42 H46S41-S44 WeakPolarHBondContact O-CB 3.43Å; S41-S44 PolarHBondContact O-N 3.4Å; S41-S44 PolarHBondContact O-OG 3.02Å; P42-S44 PolarHBondContact O-N 3.17Å; S44-H46 VanDerWaalsContact C-N 3.35Å
45L86.4Confident88.8Confident54 Ų5481.8 Ų81.828%0.28347%0.465SS..G310 helixtrans-92.88179.4-55.7175.8000112.9P42 R43 S47 E48 L49 I113P42-L45 WeakPolarHBondContact O-CB 3.29Å; P42-L45 PolarHBondContact O-N 3.37Å; R43-L45 PolarHBondContact O-N 3.11Å; L45-S47 VanDerWaalsContact C-N 3.27Å; L45-S47 PolarHBondContact O-N 3.4Å; L45-E48 VanDerWaalsContact C-OE2 3.28Å; L45-E48 WeakPolarHBondContact CA-OE2 3.39Å; L45-E48 PolarHBondContact O-N 2.86Å; L45-L49 HydrophobicContact CB-CD1 4.09Å; L45-L49 HydrophobicContact CB-CG 4.27Å; L45-L49 WeakPolarHBondContact O-CG 3.48Å; L45-L49 PolarHBondContact O-N 3.23Å; L45-L49 VanDerWaalsContact O-N 3.15Å; L45-I113 HydrophobicContact CD1-CD1 3.82Å; L45-I113 HydrophobicContact CD1-CG1 4.49Å; L45-I113 HydrophobicContact CD1-CG2 4.21Å
46H83.7Confident89Confident60 Ų6079.9 Ų79.928%0.27844%0.436SS..Hα-helixtrans-57.6-40.9-173.8-179.562000112.2R43 S44 M50 Y120R43-H46 VanDerWaalsContact O-CB 3.28Å; R43-H46 WeakPolarHBondContact O-CB 3.08Å; R43-H46 PolarHBondContact O-N 3.4Å; S44-H46 VanDerWaalsContact C-N 3.35Å; H46-M50 WeakPolarHBondContact CD2-CE 3.32Å; H46-M50 VanDerWaalsContact CE1-CE 3.48Å; H46-M50 WeakPolarHBondContact CE1-CE 3.41Å; H46-M50 WeakPolarHBondContact NE2-CE 3.2Å; H46-M50 WeakPolarHBondContact O-CB 3.15Å; H46-M50 PolarHBondContact O-N 3.06Å; H46-M50 VanDerWaalsContact O-N 3.15Å; H46-Y120 PolarHBondContact CE1-OH 3.28Å; H46-Y120 PolarHBondContact ND1-OH 3.11Å
47S88Confident89.1Confident86 Ų8674.6 Ų74.660%0.60141%0.408SS*.Hα-helixtrans-70.9-32.7-177.976.60000113.1L45L45-S47 VanDerWaalsContact C-N 3.27Å; L45-S47 PolarHBondContact O-N 3.4Å
48E92.8Very high89.5Confident106 Ų10666.8 Ų66.850%0.49537%0.372SS..Hα-helixtrans-76.1-28.9-177.7-69.874.3-172.300112.1L45L45-E48 VanDerWaalsContact C-OE2 3.28Å; L45-E48 WeakPolarHBondContact CA-OE2 3.39Å; L45-E48 PolarHBondContact O-N 2.86Å
49L93.1Very high89.8Confident5 Ų564.6 Ų64.63%0.02636%0.357CS..Hα-helixtrans-102.5-3-177.7-51.4178.7000113.3L45 M57 L58 F106 I110 I113 Y114L45-L49 HydrophobicContact CB-CD1 4.09Å; L45-L49 HydrophobicContact CB-CG 4.27Å; L45-L49 WeakPolarHBondContact O-CG 3.48Å; L45-L49 PolarHBondContact O-N 3.23Å; L45-L49 VanDerWaalsContact O-N 3.15Å; L49-M57 HydrophobicContact CB-CE 4.3Å; L49-M57 HydrophobicContact CB-SD 3.32Å; L49-M57 WeakPolarHBondContact CB-SD 3.48Å; L49-M57 HydrophobicContact CD1-CE 4.31Å; L49-M57 HydrophobicContact CD1-SD 3.91Å; L49-M57 HydrophobicContact CG-SD 4.26Å; L49-M57 WeakPolarHBondContact O-CA 3.42Å; L49-L58 VanDerWaalsContact O-CG 3.32Å; L49-L58 WeakPolarHBondContact O-CG 3.13Å; L49-L58 PolarHBondContact O-N 3.2Å; L49-F106 HydrophobicContact CD2-CE1 3.92Å; L49-F106 HydrophobicContact CD2-CZ 3.64Å; L49-I110 HydrophobicContact CD2-CG1 3.95Å; L49-I113 HydrophobicContact CD1-CD1 4.04Å; L49-I113 HydrophobicContact CD1-CG2 4.34Å; L49-I113 HydrophobicContact CD2-CD1 4.49Å; L49-Y114 HydrophobicContact CD1-CD2 4.21Å; L49-Y114 HydrophobicContact CD1-CE2 3.91Å
50M93.5Very high90.3Very high46 Ų4663.1 Ų63.123%0.22734%0.344CS..BIsolated β-bridgetrans-82.3140.4-179.8-177.1-168.3-62.100112.3H46 P52 L55H46-M50 WeakPolarHBondContact CD2-CE 3.32Å; H46-M50 VanDerWaalsContact CE1-CE 3.48Å; H46-M50 WeakPolarHBondContact CE1-CE 3.41Å; H46-M50 WeakPolarHBondContact NE2-CE 3.2Å; H46-M50 WeakPolarHBondContact O-CB 3.15Å; H46-M50 PolarHBondContact O-N 3.06Å; H46-M50 VanDerWaalsContact O-N 3.15Å; M50-P52 WeakPolarHBondContact O-CD 3.48Å; M50-L55 HydrophobicContact SD-CB 4.3Å; M50-L55 HydrophobicContact SD-CD2 4.3Å
51C96.9Very high90.9Very high0 Ų059.2 Ų59.20%032%0.321CS..  trans-77.9123.9167.8-177.40000110.9I53 C54 L55 D56 L58 C72C51-I53 PolarHBondContact O-N 3.28Å; C51-C54 VanDerWaalsContact CB-SG 3.53Å; C51-L55 VanDerWaalsContact O-CA 3.31Å; C51-L55 WeakPolarHBondContact O-CA 3.41Å; C51-L55 PolarHBondContact O-N 3.33Å; C51-D56 WeakPolarHBondContact CB-O 3.49Å; C51-D56 PolarHBondContact N-O 2.96Å; C51-L58 HydrophobicContact CB-CD2 3.7Å; C51-L58 HydrophobicContact CB-CG 4.27Å; C51-C72 VanDerWaalsContact CB-SG 3.51Å; C51-C72 PolarHBondContact SG-N 2.85Å; C51-C72 VanDerWaalsContact SG-N 3.36Å
52P96Very high91.6Very high63 Ų6356.9 Ų56.941%0.40930%0.303SS..THydrogen-bonded Turntrans-65.7-6.1179.2-2333.7000115.7M50 R70 F71M50-P52 WeakPolarHBondContact O-CD 3.48Å; P52-R70 VanDerWaalsContact CD-O 3.26Å; P52-R70 WeakPolarHBondContact CD-O 3.41Å; P52-F71 HydrophobicContact CB-CE1 4.11Å; P52-F71 HydrophobicContact CG-CD1 4.31Å; P52-F71 HydrophobicContact CG-CE1 3.97Å
53I95.9Very high92.4Very high63 Ų6354.4 Ų54.432%0.32329%0.287SS..THydrogen-bonded Turntrans-99.8-54.9-178.3-61.7166.7000110.7C51 F71 C75 I76 A79 P88C51-I53 PolarHBondContact O-N 3.28Å; I53-F71 HydrophobicContact CD1-CB 4.29Å; I53-F71 HydrophobicContact CD1-CD1 3.52Å; I53-F71 HydrophobicContact CD1-CE1 4.19Å; I53-F71 HydrophobicContact CD1-CG 4.12Å; I53-F71 HydrophobicContact CG1-CD1 3.8Å; I53-F71 HydrophobicContact CG1-CE1 4.23Å; I53-C75 HydrophobicContact CB-CB 3.85Å; I53-C75 HydrophobicContact CD1-CB 3.71Å; I53-C75 HydrophobicContact CG1-CB 4.39Å; I53-C75 HydrophobicContact CG2-CB 3.85Å; I53-I76 HydrophobicContact CD1-CD1 4.49Å; I53-A79 HydrophobicContact CD1-CB 4.27Å; I53-P88 HydrophobicContact CD1-CG 4.09Å; I53-P88 HydrophobicContact CG1-CB 4.34Å; I53-P88 HydrophobicContact CG1-CG 4.37Å
54C95Very high93.3Very high58 Ų5847.5 Ų47.539%0.39226%0.261SS..THydrogen-bonded Turntrans-91.6-6.8-179.165.80000113.7C51 D56C51-C54 VanDerWaalsContact CB-SG 3.53Å; C54-D56 PolarHBondContact O-N 3.16Å; C54-D56 VanDerWaalsContact O-N 3.13Å
55L92.7Very high93.9Very high118 Ų11850 Ų5062%0.61826%0.263SS*.SBendtrans58.422.6-179.3-48.5-179.3000113.8M50 C51M50-L55 HydrophobicContact SD-CB 4.3Å; M50-L55 HydrophobicContact SD-CD2 4.3Å; C51-L55 VanDerWaalsContact O-CA 3.31Å; C51-L55 WeakPolarHBondContact O-CA 3.41Å; C51-L55 PolarHBondContact O-N 3.33Å
56D91.1Very high94.3Very high39 Ų3953.3 Ų53.321%0.20928%0.277CS..SBendtrans-118.7164.5177-174.919.9000109.1C51 C54 L58 R117C51-D56 WeakPolarHBondContact CB-O 3.49Å; C51-D56 PolarHBondContact N-O 2.96Å; C54-D56 PolarHBondContact O-N 3.16Å; C54-D56 VanDerWaalsContact O-N 3.13Å; D56-L58 PolarHBondContact O-N 3.39Å; D56-R117 IonicContact OD1-NH2 3.48Å; D56-R117 PolarHBondContact OD1-NH2 2.84Å; D56-R117 IonicContact OD2-NH2 2.96Å; D56-R117 PolarHBondContact OD2-NH2 3.05Å
57M91.9Very high94.9Very high4 Ų451.7 Ų51.72%0.0227%0.272CS..BIsolated β-bridgetrans-51.4136.2175.4-177.878.564.400110.9L49 K59 I110 Y114 R117 Y120L49-M57 HydrophobicContact CB-CE 4.3Å; L49-M57 HydrophobicContact CB-SD 3.32Å; L49-M57 WeakPolarHBondContact CB-SD 3.48Å; L49-M57 HydrophobicContact CD1-CE 4.31Å; L49-M57 HydrophobicContact CD1-SD 3.91Å; L49-M57 HydrophobicContact CG-SD 4.26Å; L49-M57 WeakPolarHBondContact O-CA 3.42Å; M57-K59 PolarHBondContact O-N 3.45Å; M57-I110 HydrophobicContact CG-CG2 4Å; M57-I110 HydrophobicContact SD-CG2 3.93Å; M57-Y114 HydrophobicContact CE-CD2 3.49Å; M57-Y114 VanDerWaalsContact CE-CD2 3.49Å; M57-Y114 HydrophobicContact CE-CE2 3.35Å; M57-Y114 HydrophobicContact CE-CG 4.27Å; M57-Y114 HydrophobicContact SD-CD2 4.31Å; M57-Y114 HydrophobicContact SD-CE2 4.47Å; M57-R117 PolarHBondContact O-NH1 3.3Å; M57-R117 PolarHBondContact O-NH2 3.26Å; M57-Y120 HydrophobicContact CB-CE1 4.33Å; M57-Y120 HydrophobicContact CE-CD1 4.43Å; M57-Y120 HydrophobicContact CE-CE1 3.98Å; M57-Y120 HydrophobicContact CE-CE2 4.07Å
58L95.7Very high95.4Very high3 Ų352.5 Ų52.52%0.01627%0.269CS..  trans-55.9136.5-176.8-73.4157.8000112.1L49 C51 D56 T61 R70 F71 F106 I110 R117L49-L58 VanDerWaalsContact O-CG 3.32Å; L49-L58 WeakPolarHBondContact O-CG 3.13Å; L49-L58 PolarHBondContact O-N 3.2Å; C51-L58 HydrophobicContact CB-CD2 3.7Å; C51-L58 HydrophobicContact CB-CG 4.27Å; D56-L58 PolarHBondContact O-N 3.39Å; L58-T61 HydrophobicContact CD1-CG2 4.37Å; L58-R70 HydrophobicContact CD1-CB 3.8Å; L58-R70 HydrophobicContact CD2-CB 4.27Å; L58-F71 VanDerWaalsContact CD2-CA 3.43Å; L58-F106 HydrophobicContact CD1-CD1 4.15Å; L58-F106 HydrophobicContact CD1-CE1 3.55Å; L58-F106 HydrophobicContact CD1-CZ 4.46Å; L58-I110 HydrophobicContact CB-CD1 3.8Å; L58-R117 PolarHBondContact O-NH1 2.96Å
59K95Very high95.6Very high92 Ų9250.2 Ų50.240%0.426%0.258SS..SBendtrans-123.3125.4173.9-67.5-177.4-173.3-174.80108.4M57 C72 A73 R117 E121M57-K59 PolarHBondContact O-N 3.45Å; K59-C72 PolarHBondContact N-SG 3.05Å; K59-C72 WeakPolarHBondContact O-CA 3.22Å; K59-C72 WeakPolarHBondContact O-CB 3.36Å; K59-A73 PolarHBondContact O-N 2.77Å; K59-R117 VanDerWaalsContact CG-CZ 3.47Å; K59-E121 IonicContact NZ-OE1 3.04Å; K59-E121 PolarHBondContact NZ-OE1 3.46Å
60N97.1Very high95.8Very high116 Ų11654.1 Ų54.162%0.6227%0.273SS*.SBendtrans50.266.5-178.1-56.5102.3000111.1M62 A73 D107N60-M62 PolarHBondContact O-N 3.34Å; N60-A73 HydrophobicContact CB-CB 4.01Å; N60-A73 WeakPolarHBondContact O-CB 3.19Å; N60-A73 PolarHBondContact O-N 3.34Å; N60-A73 VanDerWaalsContact O-N 3.13Å; N60-D107 WeakPolarHBondContact CA-OD2 3.32Å
61T97.9Very high96.1Very high1 Ų152 Ų521%0.00626%0.262CS..EExtended strand (participates in β ladder)trans-58.6127-166.6-59.40000111.8L58 R70 D103 F106 D107L58-T61 HydrophobicContact CD1-CG2 4.37Å; T61-R70 HydrophobicContact CG2-CB 3.93Å; T61-R70 HydrophobicContact CG2-CG 4.03Å; T61-D103 HydrophobicContact CG2-CB 4.04Å; T61-D103 PolarHBondContact O-N 2.98Å; T61-F106 HydrophobicContact CG2-CB 4.41Å; T61-F106 HydrophobicContact CG2-CD1 4.01Å; T61-F106 HydrophobicContact CG2-CG 4.48Å; T61-D107 WeakPolarHBondContact CB-OD1 3.07Å; T61-D107 PolarHBondContact N-OD1 2.98Å; T61-D107 PolarHBondContact N-OD2 3.4Å; T61-D107 VanDerWaalsContact N-OD2 3.09Å; T61-D107 PolarHBondContact OG1-OD1 3.18Å
62M97.9Very high96.1Very high15 Ų1552.3 Ų52.37%0.07427%0.265CS..EExtended strand (participates in β ladder)trans-111.7126.2170.6-70.7-66.8-79.100109.6N60 R70 F71 A73 I76 L100 P102N60-M62 PolarHBondContact O-N 3.34Å; M62-R70 WeakPolarHBondContact O-CA 3.45Å; M62-F71 PolarHBondContact N-O 3.32Å; M62-F71 PolarHBondContact O-N 3.21Å; M62-A73 HydrophobicContact CG-CB 3.77Å; M62-I76 HydrophobicContact CB-CG2 3.79Å; M62-I76 HydrophobicContact CG-CG2 4.2Å; M62-L100 HydrophobicContact CE-CB 3.6Å; M62-L100 HydrophobicContact CE-CD1 4.06Å; M62-L100 HydrophobicContact CE-CG 4.5Å; M62-P102 HydrophobicContact SD-CB 4.14Å; M62-P102 HydrophobicContact SD-CG 3.9Å
63T98.1Very high96.2Very high0 Ų050.2 Ų50.20%025%0.252CS..EExtended strand (participates in β ladder)trans-110.3133.8-177.2-57.40000110.3L68 H69 R70 L100 R101 D103T63-L68 HydrophobicContact CG2-CB 4.32Å; T63-L68 HydrophobicContact CG2-CD2 4.05Å; T63-H69 WeakPolarHBondContact CA-O 3.25Å; T63-R70 HydrophobicContact CG2-CG 4.43Å; T63-L100 CarbonylContact O-C 3.55Å; T63-L100 WeakPolarHBondContact O-CA 3.28Å; T63-R101 PolarHBondContact N-O 3.12Å; T63-R101 PolarHBondContact O-N 3.03Å; T63-D103 WeakPolarHBondContact OG1-CB 3.42Å; T63-D103 PolarHBondContact OG1-OD2 3.07Å
64T97.5Very high96.3Very high0 Ų052.9 Ų52.90%027%0.267CS..EExtended strand (participates in β ladder)trans-72.2133.2173.354.30000111E66 C67 L68 H69 F71 L94 L100T64-E66 VanDerWaalsContact C-N 3.32Å; T64-E66 PolarHBondContact O-N 3.49Å; T64-C67 PolarHBondContact OG1-SG 3.04Å; T64-L68 VanDerWaalsContact O-CA 3.25Å; T64-L68 WeakPolarHBondContact O-CA 3.4Å; T64-L68 PolarHBondContact O-N 2.89Å; T64-L68 PolarHBondContact OG1-N 3.44Å; T64-H69 PolarHBondContact N-O 3.44Å; T64-H69 PolarHBondContact OG1-N 3.28Å; T64-H69 PolarHBondContact OG1-O 3.4Å; T64-F71 HydrophobicContact CG2-CD2 4.42Å; T64-F71 HydrophobicContact CG2-CE2 3.87Å; T64-L94 HydrophobicContact CG2-CD1 3.84Å; T64-L94 HydrophobicContact CG2-CD2 3.89Å; T64-L100 HydrophobicContact CG2-CD2 3.63Å
65K96.4Very high96.4Very high122 Ų12251.3 Ų51.353%0.5326%0.256SS..THydrogen-bonded Turntrans-68.7-29.4-176.6-70176.9177.9171.70114R98 S99 L100K65-R98 WeakPolarHBondContact CE-O 3.48Å; K65-R98 PolarHBondContact NZ-O 3.32Å; K65-S99 WeakPolarHBondContact CG-O 3.17Å; K65-S99 PolarHBondContact N-O 3.36Å; K65-L100 WeakPolarHBondContact CE-O 3.42Å
66E94.6Very high96.6Very high123 Ų12345.7 Ų45.758%0.57523%0.227SC*.THydrogen-bonded Turntrans-95.3-22.2-170.4176.353.2-144.100113.9T64 K92T64-E66 VanDerWaalsContact C-N 3.32Å; T64-E66 PolarHBondContact O-N 3.49Å; E66-K92 HydrophobicContact CG-CD 3.61Å; E66-K92 PolarHBondContact O-NZ 3.03Å; E66-K92 IonicContact OE1-NZ 2.67Å; E66-K92 PolarHBondContact OE1-NZ 2.97Å
67C96.5Very high96.8Very high26 Ų2645.8 Ų45.818%0.17623%0.227CC..THydrogen-bonded Turntrans-134.4-0.5-179.246.50000114.3T64 H69 C90 K92T64-C67 PolarHBondContact OG1-SG 3.04Å; C67-H69 PolarHBondContact O-N 2.73Å; C67-H69 PolarHBondContact SG-ND1 3.49Å; C67-H69 VanDerWaalsContact SG-ND1 3.35Å; C67-C90 PolarHBondContact SG-SG 2.85Å; C67-K92 HydrophobicContact CB-CD 4.02Å
68L97.1Very high96.9Very high103 Ų10348.9 Ų48.954%0.53925%0.246SC..  trans55.716.7178.2-55.8179.1000115.1T63 T64T63-L68 HydrophobicContact CG2-CB 4.32Å; T63-L68 HydrophobicContact CG2-CD2 4.05Å; T64-L68 VanDerWaalsContact O-CA 3.25Å; T64-L68 WeakPolarHBondContact O-CA 3.4Å; T64-L68 PolarHBondContact O-N 2.89Å; T64-L68 PolarHBondContact OG1-N 3.44Å
69H97.8Very high96.9Very high57 Ų5750 Ų5026%0.26426%0.257SS..  trans-68141.9168.3-66.6119.5000110.8T63 T64 C67 F71 C90T63-H69 WeakPolarHBondContact CA-O 3.25Å; T64-H69 PolarHBondContact N-O 3.44Å; T64-H69 PolarHBondContact OG1-N 3.28Å; T64-H69 PolarHBondContact OG1-O 3.4Å; C67-H69 PolarHBondContact O-N 2.73Å; C67-H69 PolarHBondContact SG-ND1 3.49Å; C67-H69 VanDerWaalsContact SG-ND1 3.35Å; H69-F71 HydrophobicContact CB-CE2 3.78Å; H69-F71 HydrophobicContact CB-CZ 3.89Å; H69-C90 VanDerWaalsContact CE1-CB 3.43Å; H69-C90 WeakPolarHBondContact CE1-CB 3.45Å; H69-C90 PolarHBondContact CE1-SG 2.85Å; H69-C90 PolarHBondContact ND1-SG 3.36Å; H69-C90 VanDerWaalsContact ND1-SG 3.37Å
70R98.2Very high96.8Very high88 Ų8846.2 Ų46.233%0.33224%0.241SC..EExtended strand (participates in β ladder)trans-111.9141.2-172.3-64.3-176.717884.50.1111.3P52 L58 T61 M62 T63 D103 F106P52-R70 VanDerWaalsContact CD-O 3.26Å; P52-R70 WeakPolarHBondContact CD-O 3.41Å; L58-R70 HydrophobicContact CD1-CB 3.8Å; L58-R70 HydrophobicContact CD2-CB 4.27Å; T61-R70 HydrophobicContact CG2-CB 3.93Å; T61-R70 HydrophobicContact CG2-CG 4.03Å; M62-R70 WeakPolarHBondContact O-CA 3.45Å; T63-R70 HydrophobicContact CG2-CG 4.43Å; R70-D103 IonicContact NE-OD2 3.93Å; R70-F106 VanDerWaalsContact NE-CD2 3.32Å
71F98.2Very high96.6Very high0 Ų049 Ų490%024%0.242CC..EExtended strand (participates in β ladder)trans-146.6158.1179.4-53.6-82.2000110.3P52 I53 L58 M62 T64 H69 I76 P88 T89P52-F71 HydrophobicContact CB-CE1 4.11Å; P52-F71 HydrophobicContact CG-CD1 4.31Å; P52-F71 HydrophobicContact CG-CE1 3.97Å; I53-F71 HydrophobicContact CD1-CB 4.29Å; I53-F71 HydrophobicContact CD1-CD1 3.52Å; I53-F71 HydrophobicContact CD1-CE1 4.19Å; I53-F71 HydrophobicContact CD1-CG 4.12Å; I53-F71 HydrophobicContact CG1-CD1 3.8Å; I53-F71 HydrophobicContact CG1-CE1 4.23Å; L58-F71 VanDerWaalsContact CD2-CA 3.43Å; M62-F71 PolarHBondContact N-O 3.32Å; M62-F71 PolarHBondContact O-N 3.21Å; T64-F71 HydrophobicContact CG2-CD2 4.42Å; T64-F71 HydrophobicContact CG2-CE2 3.87Å; H69-F71 HydrophobicContact CB-CE2 3.78Å; H69-F71 HydrophobicContact CB-CZ 3.89Å; F71-I76 HydrophobicContact CB-CB 3.71Å; F71-I76 HydrophobicContact CB-CG1 4.44Å; F71-I76 HydrophobicContact CB-CG2 4.19Å; F71-I76 HydrophobicContact CD2-CB 4.27Å; F71-I76 HydrophobicContact CD2-CD1 3.86Å; F71-I76 HydrophobicContact CD2-CG1 4.07Å; F71-I76 HydrophobicContact CE2-CD1 4.14Å; F71-I76 HydrophobicContact CG-CB 4.1Å; F71-I76 HydrophobicContact CG-CD1 4.13Å; F71-I76 HydrophobicContact CG-CG1 4.34Å; F71-P88 HydrophobicContact CE1-CB 3.89Å; F71-P88 HydrophobicContact CE1-CG 4.01Å; F71-P88 HydrophobicContact CZ-CB 4.19Å; F71-P88 HydrophobicContact CZ-CG 4.16Å; F71-T89 VanDerWaalsContact CZ-OG1 3.3Å; F71-T89 WeakPolarHBondContact CZ-OG1 3.48Å
72C98.2Very high96.2Very high8 Ų853.6 Ų53.65%0.05427%0.274CS..EExtended strand (participates in β ladder)trans-64.2144.5166.5-54.60000109.7C51 K59 D74 C75 I76C51-C72 VanDerWaalsContact CB-SG 3.51Å; C51-C72 PolarHBondContact SG-N 2.85Å; C51-C72 VanDerWaalsContact SG-N 3.36Å; K59-C72 PolarHBondContact N-SG 3.05Å; K59-C72 WeakPolarHBondContact O-CA 3.22Å; K59-C72 WeakPolarHBondContact O-CB 3.36Å; C72-D74 VanDerWaalsContact C-N 3.33Å; C72-D74 PolarHBondContact O-N 3.16Å; C72-C75 HydrophobicContact CB-CB 3.94Å; C72-C75 WeakPolarHBondContact O-CB 3.48Å; C72-C75 PolarHBondContact O-N 2.75Å; C72-C75 VanDerWaalsContact O-N 3.14Å; C72-I76 WeakPolarHBondContact O-CG2 3.47Å; C72-I76 PolarHBondContact O-N 2.99Å
73A97.7Very high95.5Very high18 Ų1854.9 Ų54.915%0.14929%0.291CS..Hα-helixtrans-52.7-50-179.800000112.6K59 N60 M62 C75 I77K59-A73 PolarHBondContact O-N 2.77Å; N60-A73 HydrophobicContact CB-CB 4.01Å; N60-A73 WeakPolarHBondContact O-CB 3.19Å; N60-A73 PolarHBondContact O-N 3.34Å; N60-A73 VanDerWaalsContact O-N 3.13Å; M62-A73 HydrophobicContact CG-CB 3.77Å; A73-C75 VanDerWaalsContact C-N 3.32Å; A73-C75 PolarHBondContact O-N 3.12Å; A73-I77 VanDerWaalsContact O-CB 3.28Å; A73-I77 WeakPolarHBondContact O-CB 3.36Å; A73-I77 WeakPolarHBondContact O-CD1 3.28Å; A73-I77 WeakPolarHBondContact O-CG1 3.47Å; A73-I77 PolarHBondContact O-N 2.84Å
74D97.4Very high95Very high119 Ų11960.2 Ų60.264%0.63632%0.32SS*.Hα-helixtrans-65.4-37.9-179.1-63.6-31.3000112.2C72 T78C72-D74 VanDerWaalsContact C-N 3.33Å; C72-D74 PolarHBondContact O-N 3.16Å; D74-T78 WeakPolarHBondContact O-CB 3.45Å; D74-T78 PolarHBondContact O-N 2.76Å; D74-T78 PolarHBondContact O-OG1 2.91Å
75C97.5Very high94.7Very high25 Ų2565.1 Ų65.117%0.16934%0.341CS..Hα-helixtrans-63.7-53179.9-71.30000111.4I53 C72 A73 T78 A79I53-C75 HydrophobicContact CB-CB 3.85Å; I53-C75 HydrophobicContact CD1-CB 3.71Å; I53-C75 HydrophobicContact CG1-CB 4.39Å; I53-C75 HydrophobicContact CG2-CB 3.85Å; C72-C75 HydrophobicContact CB-CB 3.94Å; C72-C75 WeakPolarHBondContact O-CB 3.48Å; C72-C75 PolarHBondContact O-N 2.75Å; C72-C75 VanDerWaalsContact O-N 3.14Å; A73-C75 VanDerWaalsContact C-N 3.32Å; A73-C75 PolarHBondContact O-N 3.12Å; C75-T78 PolarHBondContact O-N 3.44Å; C75-A79 WeakPolarHBondContact O-CB 3.32Å; C75-A79 PolarHBondContact O-N 2.85Å
76I96.7Very high94.7Very high0 Ų062.2 Ų62.20%033%0.33CS..Hα-helixtrans-71.2-34.6-178-169.160.3000112.5I53 M62 F71 C72 T78 A79 L80 P88 L94 L100I53-I76 HydrophobicContact CD1-CD1 4.49Å; M62-I76 HydrophobicContact CB-CG2 3.79Å; M62-I76 HydrophobicContact CG-CG2 4.2Å; F71-I76 HydrophobicContact CB-CB 3.71Å; F71-I76 HydrophobicContact CB-CG1 4.44Å; F71-I76 HydrophobicContact CB-CG2 4.19Å; F71-I76 HydrophobicContact CD2-CB 4.27Å; F71-I76 HydrophobicContact CD2-CD1 3.86Å; F71-I76 HydrophobicContact CD2-CG1 4.07Å; F71-I76 HydrophobicContact CE2-CD1 4.14Å; F71-I76 HydrophobicContact CG-CB 4.1Å; F71-I76 HydrophobicContact CG-CD1 4.13Å; F71-I76 HydrophobicContact CG-CG1 4.34Å; C72-I76 WeakPolarHBondContact O-CG2 3.47Å; C72-I76 PolarHBondContact O-N 2.99Å; I76-T78 VanDerWaalsContact C-N 3.31Å; I76-A79 PolarHBondContact O-N 2.78Å; I76-L80 HydrophobicContact CD1-CG 4.5Å; I76-L80 HydrophobicContact CG1-CD1 4.39Å; I76-L80 HydrophobicContact CG1-CG 4.5Å; I76-L80 WeakPolarHBondContact O-CB 3.48Å; I76-L80 WeakPolarHBondContact O-CG 3.37Å; I76-L80 PolarHBondContact O-N 2.63Å; I76-P88 HydrophobicContact CD1-CG 3.93Å; I76-L94 HydrophobicContact CD1-CD1 4.38Å; I76-L100 HydrophobicContact CB-CD1 4.42Å; I76-L100 HydrophobicContact CG1-CD1 3.72Å; I76-L100 HydrophobicContact CG1-CD2 4.07Å; I76-L100 HydrophobicContact CG2-CD1 3.77Å
77I95Very high94.8Very high41 Ų4156.3 Ų56.321%0.2130%0.302CS..Hα-helixtrans-67.4-36.3176.5-67.9168.8000110.6A73 R81A73-I77 VanDerWaalsContact O-CB 3.28Å; A73-I77 WeakPolarHBondContact O-CB 3.36Å; A73-I77 WeakPolarHBondContact O-CD1 3.28Å; A73-I77 WeakPolarHBondContact O-CG1 3.47Å; A73-I77 PolarHBondContact O-N 2.84Å; I77-R81 WeakPolarHBondContact O-CG 3.17Å; I77-R81 PolarHBondContact O-N 2.9Å; I77-R81 PolarHBondContact O-NE 2.9Å
78T95.1Very high94.7Very high69 Ų6957.5 Ų57.542%0.42331%0.31SS..Hα-helixtrans-69-46.5174.6-580000111D74 C75 I76 L80 R81 S82D74-T78 WeakPolarHBondContact O-CB 3.45Å; D74-T78 PolarHBondContact O-N 2.76Å; D74-T78 PolarHBondContact O-OG1 2.91Å; C75-T78 PolarHBondContact O-N 3.44Å; I76-T78 VanDerWaalsContact C-N 3.31Å; T78-L80 VanDerWaalsContact C-N 3.33Å; T78-L80 PolarHBondContact O-N 2.82Å; T78-R81 WeakPolarHBondContact O-CB 3.19Å; T78-R81 PolarHBondContact O-N 3.32Å; T78-R81 PolarHBondContact OG1-NH2 2.94Å; T78-R81 VanDerWaalsContact OG1-NH2 3.09Å; T78-S82 PolarHBondContact O-N 3.44Å; T78-S82 VanDerWaalsContact O-N 3.16Å; T78-S82 PolarHBondContact O-OG 3.1Å
79A94.5Very high94.7Very high28 Ų2855.7 Ų55.723%0.23130%0.303CS..Hα-helixtrans-57.3-43.5176.400000112.7I53 C75 I76 R81 S82 P88I53-A79 HydrophobicContact CD1-CB 4.27Å; C75-A79 WeakPolarHBondContact O-CB 3.32Å; C75-A79 PolarHBondContact O-N 2.85Å; I76-A79 PolarHBondContact O-N 2.78Å; A79-R81 VanDerWaalsContact C-N 3.26Å; A79-R81 PolarHBondContact O-N 3.4Å; A79-S82 PolarHBondContact O-N 2.89Å; A79-P88 HydrophobicContact CB-CG 4.41Å
80L93.8Very high94.6Very high12 Ų1255.3 Ų55.36%0.06331%0.306CS..Hα-helixtrans-67.7-24.3176.7-71.5176.8000113.2I76 T78 K85 L94 L100I76-L80 HydrophobicContact CD1-CG 4.5Å; I76-L80 HydrophobicContact CG1-CD1 4.39Å; I76-L80 HydrophobicContact CG1-CG 4.5Å; I76-L80 WeakPolarHBondContact O-CB 3.48Å; I76-L80 WeakPolarHBondContact O-CG 3.37Å; I76-L80 PolarHBondContact O-N 2.63Å; T78-L80 VanDerWaalsContact C-N 3.33Å; T78-L80 PolarHBondContact O-N 2.82Å; L80-K85 PolarHBondContact O-NZ 2.88Å; L80-L94 HydrophobicContact CD2-CB 3.95Å; L80-L94 HydrophobicContact CD2-CD1 4.29Å; L80-L100 HydrophobicContact CD1-CD1 3.84Å
81R92.3Very high94.4Very high174 Ų17458.9 Ų58.966%0.65732%0.32SS*.Hα-helixtrans-76.2-30.4174.6-79.9-179.5-77.3166.8-3.5112.3I77 T78 A79 G83I77-R81 WeakPolarHBondContact O-CG 3.17Å; I77-R81 PolarHBondContact O-N 2.9Å; I77-R81 PolarHBondContact O-NE 2.9Å; T78-R81 WeakPolarHBondContact O-CB 3.19Å; T78-R81 PolarHBondContact O-N 3.32Å; T78-R81 PolarHBondContact OG1-NH2 2.94Å; T78-R81 VanDerWaalsContact OG1-NH2 3.09Å; A79-R81 VanDerWaalsContact C-N 3.26Å; A79-R81 PolarHBondContact O-N 3.4Å; R81-G83 PolarHBondContact O-N 3.23Å
82S90.8Very high94.2Very high97 Ų9763 Ų6368%0.67834%0.338SS*.THydrogen-bonded Turntrans-64.6-6178.4-53.70000115T78 A79T78-S82 PolarHBondContact O-N 3.44Å; T78-S82 VanDerWaalsContact O-N 3.16Å; T78-S82 PolarHBondContact O-OG 3.1Å; A79-S82 PolarHBondContact O-N 2.89Å
83G83.1Confident94.1Very high42 Ų4270.4 Ų70.443%0.43337%0.369SS..SBendtrans111.6-26.9169.500000114.4R81 K85R81-G83 PolarHBondContact O-N 3.23Å; G83-K85 PolarHBondContact O-N 3.41Å
84N86.1Confident93.9Very high113 Ų11369.6 Ų69.660%0.60436%0.362SS*.  trans-80.5106.9-179.6-67.31.4000110.5E86N84-E86 HydrophobicContact CB-CG 4.35Å; N84-E86 PolarHBondContact O-N 3.41Å; N84-E86 VanDerWaalsContact O-N 3.09Å
85K92.6Very high93.6Very high102 Ų10268.6 Ų68.644%0.44336%0.36SS..  trans-86.152.5-178.4-56.7-54.8179.9-171.90111.8L80 G83 L94L80-K85 PolarHBondContact O-NZ 2.88Å; G83-K85 PolarHBondContact O-N 3.41Å; K85-L94 CarbonylContact C-O 3.57Å; K85-L94 WeakPolarHBondContact CB-O 3.49Å; K85-L94 CarbonylContact O-C 3.58Å; K85-L94 PolarHBondContact O-N 3.48Å
86E95.3Very high93.3Very high61 Ų6169.8 Ų69.829%0.28537%0.368SS..BIsolated β-bridgetrans-138.1158.4-178.665.8-179.2-163.200111.9N84 P88 R91 K92N84-E86 HydrophobicContact CB-CG 4.35Å; N84-E86 PolarHBondContact O-N 3.41Å; N84-E86 VanDerWaalsContact O-N 3.09Å; E86-P88 WeakPolarHBondContact O-CD 3.32Å; E86-R91 WeakPolarHBondContact OE1-CD 3.39Å; E86-R91 IonicContact OE1-CZ 2.84Å; E86-R91 IonicContact OE1-NE 3.57Å; E86-R91 IonicContact OE1-NH1 3.46Å; E86-R91 PolarHBondContact OE1-NH1 3.47Å; E86-K92 CarbonylContact C-O 3.52Å; E86-K92 WeakPolarHBondContact CA-O 3.33Å
87C96.8Very high93.1Very high0 Ų076 Ų760%040%0.396CS..  trans-68.2125.2174.8175.90000109.9T89 C90 R91 K92 L94C87-T89 PolarHBondContact O-N 3.26Å; C87-T89 VanDerWaalsContact O-N 3.13Å; C87-C90 VanDerWaalsContact SG-SG 3.61Å; C87-R91 VanDerWaalsContact O-CA 3.24Å; C87-R91 WeakPolarHBondContact O-CA 3.2Å; C87-R91 PolarHBondContact O-N 3.07Å; C87-K92 PolarHBondContact N-O 3.42Å; C87-L94 HydrophobicContact CB-CD1 4Å; C87-L94 HydrophobicContact CB-CG 4.22Å
88P95.3Very high93.1Very high51 Ų5184 Ų8433%0.33142%0.423SS..THydrogen-bonded Turntrans-56.8-29.8179-29.337.1000114.4I53 F71 I76 A79 E86I53-P88 HydrophobicContact CD1-CG 4.09Å; I53-P88 HydrophobicContact CG1-CB 4.34Å; I53-P88 HydrophobicContact CG1-CG 4.37Å; F71-P88 HydrophobicContact CE1-CB 3.89Å; F71-P88 HydrophobicContact CE1-CG 4.01Å; F71-P88 HydrophobicContact CZ-CB 4.19Å; F71-P88 HydrophobicContact CZ-CG 4.16Å; I76-P88 HydrophobicContact CD1-CG 3.93Å; A79-P88 HydrophobicContact CB-CG 4.41Å; E86-P88 WeakPolarHBondContact O-CD 3.32Å
89T95.8Very high93.1Very high65 Ų6582 Ų8240%0.39941%0.412SS..THydrogen-bonded Turntrans-84.3-48.3-177.2-48.60000113.5F71 C87F71-T89 VanDerWaalsContact CZ-OG1 3.3Å; F71-T89 WeakPolarHBondContact CZ-OG1 3.48Å; C87-T89 PolarHBondContact O-N 3.26Å; C87-T89 VanDerWaalsContact O-N 3.13Å
90C96.2Very high93.2Very high49 Ų4981.1 Ų81.133%0.33140%0.404SS..THydrogen-bonded Turntrans-120.93-171.567.30000115C67 H69 C87 K92C67-C90 PolarHBondContact SG-SG 2.85Å; H69-C90 VanDerWaalsContact CE1-CB 3.43Å; H69-C90 WeakPolarHBondContact CE1-CB 3.45Å; H69-C90 PolarHBondContact CE1-SG 2.85Å; H69-C90 PolarHBondContact ND1-SG 3.36Å; H69-C90 VanDerWaalsContact ND1-SG 3.37Å; C87-C90 VanDerWaalsContact SG-SG 3.61Å; C90-K92 PolarHBondContact O-N 2.91Å
91R94.9Very high93.3Very high163 Ų16385.6 Ų85.662%0.61542%0.419SS*.  trans609.5179.4-44.8-52.2-168.283.79.7115.8E86 C87E86-R91 WeakPolarHBondContact OE1-CD 3.39Å; E86-R91 IonicContact OE1-CZ 2.84Å; E86-R91 IonicContact OE1-NE 3.57Å; E86-R91 IonicContact OE1-NH1 3.46Å; E86-R91 PolarHBondContact OE1-NH1 3.47Å; C87-R91 VanDerWaalsContact O-CA 3.24Å; C87-R91 WeakPolarHBondContact O-CA 3.2Å; C87-R91 PolarHBondContact O-N 3.07Å
92K94Very high93.6Very high87 Ų8781.6 Ų81.638%0.37842%0.416SS..  trans-59.5142.4168.5-72.9-162-171.7-175.60110.7E66 C67 E86 C87 C90 L94E66-K92 HydrophobicContact CG-CD 3.61Å; E66-K92 PolarHBondContact O-NZ 3.03Å; E66-K92 IonicContact OE1-NZ 2.67Å; E66-K92 PolarHBondContact OE1-NZ 2.97Å; C67-K92 HydrophobicContact CB-CD 4.02Å; E86-K92 CarbonylContact C-O 3.52Å; E86-K92 WeakPolarHBondContact CA-O 3.33Å; C87-K92 PolarHBondContact N-O 3.42Å; C90-K92 PolarHBondContact O-N 2.91Å; K92-L94 PolarHBondContact O-N 2.86Å
93K94.9Very high94Very high162 Ų16277.4 Ų77.470%0.70439%0.386SS*.BIsolated β-bridgetrans-62.3129.1-175.3-169.6175.7-175.4176.70112.6V95K93-V95 HydrophobicContact CG-CG2 4.48Å
94L94.7Very high94.7Very high1 Ų179.4 Ų79.41%0.00539%0.391CS..  trans-119.792.5173.6-65.4-178000109.4T64 I76 L80 K85 C87 K92 S96 L100T64-L94 HydrophobicContact CG2-CD1 3.84Å; T64-L94 HydrophobicContact CG2-CD2 3.89Å; I76-L94 HydrophobicContact CD1-CD1 4.38Å; L80-L94 HydrophobicContact CD2-CB 3.95Å; L80-L94 HydrophobicContact CD2-CD1 4.29Å; K85-L94 CarbonylContact C-O 3.57Å; K85-L94 WeakPolarHBondContact CB-O 3.49Å; K85-L94 CarbonylContact O-C 3.58Å; K85-L94 PolarHBondContact O-N 3.48Å; C87-L94 HydrophobicContact CB-CD1 4Å; C87-L94 HydrophobicContact CB-CG 4.22Å; K92-L94 PolarHBondContact O-N 2.86Å; L94-S96 VanDerWaalsContact C-N 3.28Å; L94-S96 PolarHBondContact O-N 2.88Å; L94-L100 HydrophobicContact CD1-CD2 4.36Å
95V91.2Very high95.2Very high99 Ų9980.3 Ų80.360%0.640%0.396SS*.  trans-56.7-41.2-173.2-179.60000112.2K93 S99K93-V95 HydrophobicContact CG-CG2 4.48Å; V95-S99 PolarHBondContact N-OG 3.05Å
96S90.7Very high95.4Very high49 Ų4976.6 Ų76.634%0.34338%0.38SS..SBendtrans-164.1-174.9178.368.80000111.5L94 R98 S99L94-S96 VanDerWaalsContact C-N 3.28Å; L94-S96 PolarHBondContact O-N 2.88Å; S96-R98 PolarHBondContact O-N 3.32Å; S96-R98 WeakPolarHBondContact OG-CB 3.08Å; S96-R98 PolarHBondContact OG-N 2.97Å; S96-S99 WeakPolarHBondContact O-CB 3.35Å; S96-S99 PolarHBondContact O-N 3.06Å; S96-S99 PolarHBondContact O-OG 3.43Å
97K92.2Very high95.4Very high132 Ų13275.5 Ų75.557%0.57438%0.376SS*.G310 helixtrans-52.6-24.7169.6-170.1176.8179.4179.40113S99 L100K97-S99 PolarHBondContact O-N 3.45Å; K97-L100 WeakPolarHBondContact O-CB 3.48Å; K97-L100 PolarHBondContact O-N 3.01Å
98R94.2Very high95.4Very high207 Ų20778.1 Ų78.178%0.78140%0.398SS*.G310 helixtrans-65.1-22176.1-173.8176.6-67.4-83.50.1113.5K65 S96 L100K65-R98 WeakPolarHBondContact CE-O 3.48Å; K65-R98 PolarHBondContact NZ-O 3.32Å; S96-R98 PolarHBondContact O-N 3.32Å; S96-R98 WeakPolarHBondContact OG-CB 3.08Å; S96-R98 PolarHBondContact OG-N 2.97Å; R98-L100 PolarHBondContact O-N 3.44Å
99S95.1Very high95.3Very high29 Ų2979.7 Ų79.720%0.20340%0.403CS..G310 helixtrans-77-2.3174.4-57.20000113.1K65 V95 S96 K97K65-S99 WeakPolarHBondContact CG-O 3.17Å; K65-S99 PolarHBondContact N-O 3.36Å; V95-S99 PolarHBondContact N-OG 3.05Å; S96-S99 WeakPolarHBondContact O-CB 3.35Å; S96-S99 PolarHBondContact O-N 3.06Å; S96-S99 PolarHBondContact O-OG 3.43Å; K97-S99 PolarHBondContact O-N 3.45Å
100L96.8Very high95.2Very high9 Ų977.2 Ų77.25%0.04739%0.387CS..EExtended strand (participates in β ladder)trans-110160.7177-52.5173.7000110.9M62 T63 T64 K65 I76 L80 L94 K97 R98M62-L100 HydrophobicContact CE-CB 3.6Å; M62-L100 HydrophobicContact CE-CD1 4.06Å; M62-L100 HydrophobicContact CE-CG 4.5Å; T63-L100 CarbonylContact O-C 3.55Å; T63-L100 WeakPolarHBondContact O-CA 3.28Å; T64-L100 HydrophobicContact CG2-CD2 3.63Å; K65-L100 WeakPolarHBondContact CE-O 3.42Å; I76-L100 HydrophobicContact CB-CD1 4.42Å; I76-L100 HydrophobicContact CG1-CD1 3.72Å; I76-L100 HydrophobicContact CG1-CD2 4.07Å; I76-L100 HydrophobicContact CG2-CD1 3.77Å; L80-L100 HydrophobicContact CD1-CD1 3.84Å; L94-L100 HydrophobicContact CD1-CD2 4.36Å; K97-L100 WeakPolarHBondContact O-CB 3.48Å; K97-L100 PolarHBondContact O-N 3.01Å; R98-L100 PolarHBondContact O-N 3.44Å
101R97.3Very high95Very high105 Ų10578.5 Ų78.540%0.39640%0.397SS..EExtended strand (participates in β ladder)trans-138.3141.8169.669.5-175.6-158.691.911.7109.6T63 D103T63-R101 PolarHBondContact N-O 3.12Å; T63-R101 PolarHBondContact O-N 3.03Å; R101-D103 IonicContact NH2-OD1 3.52Å; R101-D103 IonicContact NH2-OD2 3.12Å; R101-D103 PolarHBondContact NH2-OD2 2.8Å; R101-D103 VanDerWaalsContact NH2-OD2 3.12Å
102P98.1Very high94.8Very high90 Ų9079.3 Ų79.358%0.58441%0.405SS*.EExtended strand (participates in β ladder)trans-61.4147.9165.3-20.432.8000111M62M62-P102 HydrophobicContact SD-CB 4.14Å; M62-P102 HydrophobicContact SD-CG 3.9Å
103D98Very high94.7Very high9 Ų976.9 Ų76.95%0.04840%0.395CS..  trans-127.368.7-179.4-151.9-16.8000111.7T61 T63 R70 R101 N105 F106 D107T61-D103 HydrophobicContact CG2-CB 4.04Å; T61-D103 PolarHBondContact O-N 2.98Å; T63-D103 WeakPolarHBondContact OG1-CB 3.42Å; T63-D103 PolarHBondContact OG1-OD2 3.07Å; R70-D103 IonicContact NE-OD2 3.93Å; R101-D103 IonicContact NH2-OD1 3.52Å; R101-D103 IonicContact NH2-OD2 3.12Å; R101-D103 PolarHBondContact NH2-OD2 2.8Å; R101-D103 VanDerWaalsContact NH2-OD2 3.12Å; D103-N105 PolarHBondContact O-N 2.78Å; D103-F106 HydrophobicContact CB-CB 4.15Å; D103-F106 WeakPolarHBondContact O-CB 3.16Å; D103-F106 PolarHBondContact O-N 3.08Å; D103-D107 PolarHBondContact O-N 3.06Å
104P97.8Very high94.3Very high84 Ų8470.8 Ų70.855%0.54537%0.368SS..Hα-helixtrans-63.3-25.5-175.426.4-35.6000113.1F106 D107 A108P104-F106 VanDerWaalsContact C-N 3.31Å; P104-D107 PolarHBondContact O-N 2.9Å; P104-A108 WeakPolarHBondContact O-CB 3.47Å; P104-A108 PolarHBondContact O-N 2.62Å
105N97.4Very high93.9Very high132 Ų13276.3 Ų76.371%0.70641%0.405SS*.Hα-helixtrans-66.3-36.8175.3-67.3-11.4000111.3D103 A108 L109D103-N105 PolarHBondContact O-N 2.78Å; N105-A108 PolarHBondContact O-N 2.84Å; N105-L109 PolarHBondContact O-N 3.29Å
106F96.7Very high93.6Very high24 Ų2473.3 Ų73.311%0.10539%0.388CS..Hα-helixtrans-72.6-38.8177.2-160.1-95.5000111.4L49 L58 T61 R70 D103 P104 A108 L109 I110L49-F106 HydrophobicContact CD2-CE1 3.92Å; L49-F106 HydrophobicContact CD2-CZ 3.64Å; L58-F106 HydrophobicContact CD1-CD1 4.15Å; L58-F106 HydrophobicContact CD1-CE1 3.55Å; L58-F106 HydrophobicContact CD1-CZ 4.46Å; T61-F106 HydrophobicContact CG2-CB 4.41Å; T61-F106 HydrophobicContact CG2-CD1 4.01Å; T61-F106 HydrophobicContact CG2-CG 4.48Å; R70-F106 VanDerWaalsContact NE-CD2 3.32Å; D103-F106 HydrophobicContact CB-CB 4.15Å; D103-F106 WeakPolarHBondContact O-CB 3.16Å; D103-F106 PolarHBondContact O-N 3.08Å; P104-F106 VanDerWaalsContact C-N 3.31Å; F106-A108 VanDerWaalsContact C-N 3.33Å; F106-A108 PolarHBondContact O-N 2.84Å; F106-L109 HydrophobicContact CD2-CD2 4.42Å; F106-L109 HydrophobicContact CE2-CD2 4.41Å; F106-L109 WeakPolarHBondContact O-CB 3.45Å; F106-L109 PolarHBondContact O-N 2.98Å; F106-I110 HydrophobicContact CD1-CD1 3.71Å; F106-I110 HydrophobicContact CD1-CG1 4.22Å; F106-I110 HydrophobicContact CE1-CD1 3.78Å; F106-I110 HydrophobicContact CE1-CG1 4.16Å; F106-I110 WeakPolarHBondContact O-CG1 3.13Å; F106-I110 PolarHBondContact O-N 3.17Å
107D95.9Very high93.1Very high39 Ų3973.7 Ų73.721%0.20938%0.382CS..Hα-helixtrans-60.6-43172.2-68.2-28.6000111.2N60 T61 D103 P104 L109 I110 S111N60-D107 WeakPolarHBondContact CA-OD2 3.32Å; T61-D107 WeakPolarHBondContact CB-OD1 3.07Å; T61-D107 PolarHBondContact N-OD1 2.98Å; T61-D107 PolarHBondContact N-OD2 3.4Å; T61-D107 VanDerWaalsContact N-OD2 3.09Å; T61-D107 PolarHBondContact OG1-OD1 3.18Å; D103-D107 PolarHBondContact O-N 3.06Å; P104-D107 PolarHBondContact O-N 2.9Å; D107-L109 VanDerWaalsContact C-N 3.34Å; D107-L109 PolarHBondContact O-N 2.9Å; D107-I110 PolarHBondContact O-N 2.9Å; D107-S111 PolarHBondContact O-N 3.43Å; D107-S111 PolarHBondContact O-OG 2.77Å
108A95.6Very high92.5Very high54 Ų5473.2 Ų73.245%0.44639%0.385SS..Hα-helixtrans-64-37.2175.700000112.8P104 N105 F106 S111 K112P104-A108 WeakPolarHBondContact O-CB 3.47Å; P104-A108 PolarHBondContact O-N 2.62Å; N105-A108 PolarHBondContact O-N 2.84Å; F106-A108 VanDerWaalsContact C-N 3.33Å; F106-A108 PolarHBondContact O-N 2.84Å; A108-S111 PolarHBondContact O-N 3.48Å; A108-K112 WeakPolarHBondContact O-CG 3.38Å; A108-K112 PolarHBondContact O-N 2.66Å; A108-K112 VanDerWaalsContact O-N 3.07Å
109L93.8Very high91.9Very high85 Ų8570.2 Ų70.245%0.44538%0.38SS..Hα-helixtrans-62.9-45.2173.417763.1000111.2N105 F106 D107 S111 K112 I113N105-L109 PolarHBondContact O-N 3.29Å; F106-L109 HydrophobicContact CD2-CD2 4.42Å; F106-L109 HydrophobicContact CE2-CD2 4.41Å; F106-L109 WeakPolarHBondContact O-CB 3.45Å; F106-L109 PolarHBondContact O-N 2.98Å; D107-L109 VanDerWaalsContact C-N 3.34Å; D107-L109 PolarHBondContact O-N 2.9Å; L109-S111 VanDerWaalsContact C-N 3.32Å; L109-S111 PolarHBondContact O-N 3.39Å; L109-K112 PolarHBondContact O-N 3.31Å; L109-K112 VanDerWaalsContact O-N 3.09Å; L109-I113 HydrophobicContact CD1-CD1 3.92Å; L109-I113 HydrophobicContact CD1-CG1 4.32Å; L109-I113 HydrophobicContact CG-CD1 3.87Å; L109-I113 WeakPolarHBondContact O-CG1 3.38Å; L109-I113 PolarHBondContact O-N 3.35Å
110I93.3Very high91.2Very high12 Ų1269.9 Ų69.96%0.06238%0.375CS..Hα-helixtrans-57.5-46.6175.2-68.9165.6000110.3L49 M57 L58 F106 D107 K112 I113 Y114L49-I110 HydrophobicContact CD2-CG1 3.95Å; M57-I110 HydrophobicContact CG-CG2 4Å; M57-I110 HydrophobicContact SD-CG2 3.93Å; L58-I110 HydrophobicContact CB-CD1 3.8Å; F106-I110 HydrophobicContact CD1-CD1 3.71Å; F106-I110 HydrophobicContact CD1-CG1 4.22Å; F106-I110 HydrophobicContact CE1-CD1 3.78Å; F106-I110 HydrophobicContact CE1-CG1 4.16Å; F106-I110 WeakPolarHBondContact O-CG1 3.13Å; F106-I110 PolarHBondContact O-N 3.17Å; D107-I110 PolarHBondContact O-N 2.9Å; I110-K112 PolarHBondContact O-N 3.05Å; I110-I113 PolarHBondContact O-N 3.4Å; I110-Y114 PolarHBondContact O-N 2.93Å
111S92.4Very high90.5Very high77 Ų7772.5 Ų72.554%0.53839%0.387SS..Hα-helixtrans-64.2-25.1177.9-60.40000113.9D107 A108 L109 Y114 P115D107-S111 PolarHBondContact O-N 3.43Å; D107-S111 PolarHBondContact O-OG 2.77Å; A108-S111 PolarHBondContact O-N 3.48Å; L109-S111 VanDerWaalsContact C-N 3.32Å; L109-S111 PolarHBondContact O-N 3.39Å; S111-Y114 CarbonylContact O-C 3.53Å; S111-P115 WeakPolarHBondContact O-CA 3.47Å
112K91.6Very high89.8Confident179 Ų17969.4 Ų69.478%0.77838%0.384SS*.Hα-helixtrans-77.8-36.1173.7-73.7-66.2-173.7-179.20112.7A108 L109 I110A108-K112 WeakPolarHBondContact O-CG 3.38Å; A108-K112 PolarHBondContact O-N 2.66Å; A108-K112 VanDerWaalsContact O-N 3.07Å; L109-K112 PolarHBondContact O-N 3.31Å; L109-K112 VanDerWaalsContact O-N 3.09Å; I110-K112 PolarHBondContact O-N 3.05Å
113I89.9Confident89Confident36 Ų3668 Ų6819%0.18537%0.369CS..Hα-helixtrans-76.9-39.7178.6-62.6165.3000110.7P42 L45 L49 L109 I110P42-I113 HydrophobicContact CB-CG2 3.83Å; P42-I113 HydrophobicContact CG-CG2 4.41Å; L45-I113 HydrophobicContact CD1-CD1 3.82Å; L45-I113 HydrophobicContact CD1-CG1 4.49Å; L45-I113 HydrophobicContact CD1-CG2 4.21Å; L49-I113 HydrophobicContact CD1-CD1 4.04Å; L49-I113 HydrophobicContact CD1-CG2 4.34Å; L49-I113 HydrophobicContact CD2-CD1 4.49Å; L109-I113 HydrophobicContact CD1-CD1 3.92Å; L109-I113 HydrophobicContact CD1-CG1 4.32Å; L109-I113 HydrophobicContact CG-CD1 3.87Å; L109-I113 WeakPolarHBondContact O-CG1 3.38Å; L109-I113 PolarHBondContact O-N 3.35Å; I110-I113 PolarHBondContact O-N 3.4Å
114Y88.5Confident88.1Confident34 Ų3470.4 Ų70.413%0.13338%0.38CS..  trans-124.586.4178.2-68.6-76.7000109.9P42 R43 L49 M57 I110 S111 S116 Y120P42-Y114 HydrophobicContact CB-CE1 3.91Å; P42-Y114 HydrophobicContact CB-CE2 4.18Å; P42-Y114 PolarHBondContact O-OH 3.43Å; R43-Y114 PolarHBondContact N-OH 2.85Å; L49-Y114 HydrophobicContact CD1-CD2 4.21Å; L49-Y114 HydrophobicContact CD1-CE2 3.91Å; M57-Y114 HydrophobicContact CE-CD2 3.49Å; M57-Y114 VanDerWaalsContact CE-CD2 3.49Å; M57-Y114 HydrophobicContact CE-CE2 3.35Å; M57-Y114 HydrophobicContact CE-CG 4.27Å; M57-Y114 HydrophobicContact SD-CD2 4.31Å; M57-Y114 HydrophobicContact SD-CE2 4.47Å; I110-Y114 PolarHBondContact O-N 2.93Å; S111-Y114 CarbonylContact O-C 3.53Å; Y114-S116 VanDerWaalsContact C-N 3.29Å; Y114-S116 PolarHBondContact O-N 3.42Å; Y114-Y120 AromaticContact CD1-CD2 3.76Å; Y114-Y120 HydrophobicContact CD1-CD2 3.76Å; Y114-Y120 HydrophobicContact CD1-CG 4.22Å; Y114-Y120 AromaticContact CE1-CD2 3.37Å; Y114-Y120 HydrophobicContact CE1-CD2 3.37Å; Y114-Y120 AromaticContact CE1-CE2 3.85Å; Y114-Y120 HydrophobicContact CE1-CE2 3.85Å; Y114-Y120 HydrophobicContact CE1-CG 4.26Å; Y114-Y120 AromaticContact CZ-CD2 3.89Å; Y114-Y120 AromaticContact CZ-CE2 3.88Å
115P85.2Confident87.4Confident118 Ų11873.1 Ų73.177%0.76639%0.386SS*.SBendtrans-60-36.5-179-25.835.4000113.8S111S111-P115 WeakPolarHBondContact O-CA 3.47Å
116S84Confident86.7Confident36 Ų3673.6 Ų73.625%0.25238%0.378SS..  trans-116.7112.4175.6-179.50000109.7Y114 E119Y114-S116 VanDerWaalsContact C-N 3.29Å; Y114-S116 PolarHBondContact O-N 3.42Å; S116-E119 WeakPolarHBondContact OG-CG 3.06Å; S116-E119 PolarHBondContact OG-N 2.84Å
117R80.2Confident85.9Confident57 Ų5775 Ų7522%0.21539%0.388CS..Hα-helixtrans-72-36176.2-176.2163.9-175.1136.45.5112D56 M57 L58 K59 E119 Y120 E121D56-R117 IonicContact OD1-NH2 3.48Å; D56-R117 PolarHBondContact OD1-NH2 2.84Å; D56-R117 IonicContact OD2-NH2 2.96Å; D56-R117 PolarHBondContact OD2-NH2 3.05Å; M57-R117 PolarHBondContact O-NH1 3.3Å; M57-R117 PolarHBondContact O-NH2 3.26Å; L58-R117 PolarHBondContact O-NH1 2.96Å; K59-R117 VanDerWaalsContact CG-CZ 3.47Å; R117-E119 VanDerWaalsContact C-N 3.28Å; R117-E119 PolarHBondContact O-N 3.18Å; R117-Y120 WeakPolarHBondContact O-CB 3.47Å; R117-Y120 PolarHBondContact O-N 3.1Å; R117-Y120 VanDerWaalsContact O-N 3.09Å; R117-E121 HydrophobicContact CG-CG 4.17Å; R117-E121 IonicContact CZ-OE1 3.7Å; R117-E121 IonicContact NE-OE1 2.84Å; R117-E121 PolarHBondContact NE-OE1 3.01Å; R117-E121 IonicContact NH2-OE1 3.67Å; R117-E121 PolarHBondContact O-N 3.13Å
118D80.9Confident85.1Confident121 Ų12178 Ų7865%0.64740%0.403SS*.Hα-helixtrans-62.6-38-179.2-61-17.5000111.1Y120 E121 A122D118-Y120 VanDerWaalsContact C-N 3.34Å; D118-E121 PolarHBondContact O-N 3.43Å; D118-A122 WeakPolarHBondContact O-CB 3.31Å; D118-A122 PolarHBondContact O-N 2.9Å
119E81.1Confident84.4Confident145 Ų14578.3 Ų78.368%0.67841%0.406SS*.Hα-helixtrans-64.5-39.6174.4-74.6174.4-159.400112.3S116 R117 H123S116-E119 WeakPolarHBondContact OG-CG 3.06Å; S116-E119 PolarHBondContact OG-N 2.84Å; R117-E119 VanDerWaalsContact C-N 3.28Å; R117-E119 PolarHBondContact O-N 3.18Å; E119-H123 VanDerWaalsContact O-CB 3.28Å; E119-H123 WeakPolarHBondContact O-CB 3.48Å; E119-H123 PolarHBondContact O-N 2.8Å
120Y79.7Confident83.4Confident21 Ų2177.6 Ų77.68%0.08240%0.397CS..Hα-helixtrans-65.8-49.3176.1174.6-93.6000111.4H46 M57 Y114 R117 D118 H123 Q124H46-Y120 PolarHBondContact CE1-OH 3.28Å; H46-Y120 PolarHBondContact ND1-OH 3.11Å; M57-Y120 HydrophobicContact CB-CE1 4.33Å; M57-Y120 HydrophobicContact CE-CD1 4.43Å; M57-Y120 HydrophobicContact CE-CE1 3.98Å; M57-Y120 HydrophobicContact CE-CE2 4.07Å; Y114-Y120 AromaticContact CD1-CD2 3.76Å; Y114-Y120 HydrophobicContact CD1-CD2 3.76Å; Y114-Y120 HydrophobicContact CD1-CG 4.22Å; Y114-Y120 AromaticContact CE1-CD2 3.37Å; Y114-Y120 HydrophobicContact CE1-CD2 3.37Å; Y114-Y120 AromaticContact CE1-CE2 3.85Å; Y114-Y120 HydrophobicContact CE1-CE2 3.85Å; Y114-Y120 HydrophobicContact CE1-CG 4.26Å; Y114-Y120 AromaticContact CZ-CD2 3.89Å; Y114-Y120 AromaticContact CZ-CE2 3.88Å; R117-Y120 WeakPolarHBondContact O-CB 3.47Å; R117-Y120 PolarHBondContact O-N 3.1Å; R117-Y120 VanDerWaalsContact O-N 3.09Å; D118-Y120 VanDerWaalsContact C-N 3.34Å; Y120-H123 PolarHBondContact O-N 3.03Å; Y120-Q124 HydrophobicContact CD1-CG 4.32Å; Y120-Q124 HydrophobicContact CE1-CG 3.86Å; Y120-Q124 HydrophobicContact CE2-CG 4.3Å; Y120-Q124 VanDerWaalsContact CZ-CD 3.49Å; Y120-Q124 VanDerWaalsContact CZ-OE1 3.25Å; Y120-Q124 WeakPolarHBondContact O-CG 3.31Å; Y120-Q124 PolarHBondContact O-N 3.23Å; Y120-Q124 PolarHBondContact OH-NE2 2.69Å; Y120-Q124 PolarHBondContact OH-OE1 3.3Å
121E82.1Confident82.5Confident64 Ų6480.8 Ų80.830%0.29941%0.414SS..Hα-helixtrans-61.3-45.5178.4-70.2-176.5-17500110.7K59 R117 D118 H123 Q124 E125K59-E121 IonicContact NZ-OE1 3.04Å; K59-E121 PolarHBondContact NZ-OE1 3.46Å; R117-E121 HydrophobicContact CG-CG 4.17Å; R117-E121 IonicContact CZ-OE1 3.7Å; R117-E121 IonicContact NE-OE1 2.84Å; R117-E121 PolarHBondContact NE-OE1 3.01Å; R117-E121 IonicContact NH2-OE1 3.67Å; R117-E121 PolarHBondContact O-N 3.13Å; D118-E121 PolarHBondContact O-N 3.43Å; E121-H123 VanDerWaalsContact C-N 3.29Å; E121-H123 PolarHBondContact O-N 2.95Å; E121-Q124 PolarHBondContact O-N 3.5Å; E121-E125 PolarHBondContact O-N 3.48Å
122A83.2Confident81.7Confident41 Ų4182 Ų8234%0.33941%0.414SS..Hα-helixtrans-63.2-33.2175.600000113D118 R126D118-A122 WeakPolarHBondContact O-CB 3.31Å; D118-A122 PolarHBondContact O-N 2.9Å; A122-R126 WeakPolarHBondContact O-CB 3.2Å; A122-R126 PolarHBondContact O-N 3.34Å; A122-R126 VanDerWaalsContact O-N 3.15Å; A122-R126 PolarHBondContact O-NH1 3.5Å
123H81.1Confident80.7Confident59 Ų5979.3 Ų79.327%0.27340%0.403SS..Hα-helixtrans-69.2-44.3173.5-175.284.8000111.7R43 E119 Y120 E121 R126 V127R43-H123 VanDerWaalsContact CZ-NE2 3.29Å; R43-H123 PolarHBondContact NH1-CD2 3.32Å; R43-H123 PolarHBondContact NH1-NE2 3.44Å; R43-H123 PolarHBondContact NH2-CD2 2.87Å; R43-H123 VanDerWaalsContact NH2-CD2 3.33Å; R43-H123 PolarHBondContact NH2-CE1 2.92Å; R43-H123 PolarHBondContact NH2-NE2 3.15Å; E119-H123 VanDerWaalsContact O-CB 3.28Å; E119-H123 WeakPolarHBondContact O-CB 3.48Å; E119-H123 PolarHBondContact O-N 2.8Å; Y120-H123 PolarHBondContact O-N 3.03Å; E121-H123 VanDerWaalsContact C-N 3.29Å; E121-H123 PolarHBondContact O-N 2.95Å; H123-R126 PolarHBondContact O-N 3.29Å; H123-V127 WeakPolarHBondContact O-CG2 3.42Å; H123-V127 PolarHBondContact O-N 3.1Å; H123-V127 VanDerWaalsContact O-N 3.1Å
124Q78.9Confident79.6Confident60 Ų6081.6 Ų81.628%0.2841%0.412SS..Hα-helixtrans-61.8-43.8176.2-65.7-139.1-90.900111.8Y120 E121 R126 V127 L128Y120-Q124 HydrophobicContact CD1-CG 4.32Å; Y120-Q124 HydrophobicContact CE1-CG 3.86Å; Y120-Q124 HydrophobicContact CE2-CG 4.3Å; Y120-Q124 VanDerWaalsContact CZ-CD 3.49Å; Y120-Q124 VanDerWaalsContact CZ-OE1 3.25Å; Y120-Q124 WeakPolarHBondContact O-CG 3.31Å; Y120-Q124 PolarHBondContact O-N 3.23Å; Y120-Q124 PolarHBondContact OH-NE2 2.69Å; Y120-Q124 PolarHBondContact OH-OE1 3.3Å; E121-Q124 PolarHBondContact O-N 3.5Å; Q124-R126 VanDerWaalsContact C-N 3.32Å; Q124-R126 PolarHBondContact O-N 2.61Å; Q124-V127 PolarHBondContact O-N 3.32Å; Q124-L128 WeakPolarHBondContact O-CG 3.26Å; Q124-L128 PolarHBondContact O-N 3.22Å
125E83.8Confident78.6Confident141 Ų14185 Ų8566%0.65943%0.433SS*.Hα-helixtrans-59.1-42.9176.7-172.7177.4-166.500111.6E121 V127 L128 A129E121-E125 PolarHBondContact O-N 3.48Å; E125-V127 VanDerWaalsContact C-N 3.34Å; E125-V127 PolarHBondContact O-N 3.49Å; E125-L128 PolarHBondContact O-N 3.3Å; E125-A129 VanDerWaalsContact O-CB 3.28Å; E125-A129 WeakPolarHBondContact O-CB 3.4Å; E125-A129 PolarHBondContact O-N 3.46Å
126R82.2Confident77.7Confident143 Ų14382.7 Ų82.754%0.5441%0.414SS..Hα-helixtrans-62.5-39.8176.7-168.4-177.1-6499.4-2112.5A122 H123 Q124 R130A122-R126 WeakPolarHBondContact O-CB 3.2Å; A122-R126 PolarHBondContact O-N 3.34Å; A122-R126 VanDerWaalsContact O-N 3.15Å; A122-R126 PolarHBondContact O-NH1 3.5Å; H123-R126 PolarHBondContact O-N 3.29Å; Q124-R126 VanDerWaalsContact C-N 3.32Å; Q124-R126 PolarHBondContact O-N 2.61Å; R126-R130 WeakPolarHBondContact O-CB 3.27Å; R126-R130 PolarHBondContact O-N 3.32Å; R126-R130 VanDerWaalsContact O-N 3.09Å
127V79.4Confident77Confident53 Ų5388.1 Ų88.132%0.32144%0.435SS..Hα-helixtrans-67.4-46.7176.9173.40000110.6H123 Q124 E125 A129 R130 I131H123-V127 WeakPolarHBondContact O-CG2 3.42Å; H123-V127 PolarHBondContact O-N 3.1Å; H123-V127 VanDerWaalsContact O-N 3.1Å; Q124-V127 PolarHBondContact O-N 3.32Å; E125-V127 VanDerWaalsContact C-N 3.34Å; E125-V127 PolarHBondContact O-N 3.49Å; V127-A129 PolarHBondContact O-N 3.4Å; V127-R130 WeakPolarHBondContact O-CB 3.34Å; V127-R130 PolarHBondContact O-N 3.47Å; V127-R130 VanDerWaalsContact O-N 3.17Å; V127-I131 HydrophobicContact CG1-CD1 4.01Å; V127-I131 WeakPolarHBondContact O-CG1 3.2Å; V127-I131 PolarHBondContact O-N 3.02Å
128L80.8Confident76.5Confident102 Ų10292.8 Ų92.853%0.53446%0.459SS..Hα-helixtrans-61.6-43.2177-72.6170.4000112Q124 E125 R130 I131 N132Q124-L128 WeakPolarHBondContact O-CG 3.26Å; Q124-L128 PolarHBondContact O-N 3.22Å; E125-L128 PolarHBondContact O-N 3.3Å; L128-R130 VanDerWaalsContact C-N 3.27Å; L128-R130 PolarHBondContact O-N 3.14Å; L128-I131 PolarHBondContact O-N 3.04Å; L128-N132 WeakPolarHBondContact O-CB 3.38Å; L128-N132 PolarHBondContact O-N 3.32Å; L128-N132 PolarHBondContact O-ND2 3.49Å
129A80.7Confident76.1Confident60 Ų6089.1 Ų89.150%0.49645%0.446SS..Hα-helixtrans-59.7-39.1175.100000111.8E125 V127 N132 K133E125-A129 VanDerWaalsContact O-CB 3.28Å; E125-A129 WeakPolarHBondContact O-CB 3.4Å; E125-A129 PolarHBondContact O-N 3.46Å; V127-A129 PolarHBondContact O-N 3.4Å; A129-N132 PolarHBondContact O-N 3.47Å; A129-K133 PolarHBondContact O-N 2.92Å
130R71.4Confident75.8Confident71 Ų7187.5 Ų87.527%0.26844%0.441SS..Hα-helixtrans-67.1-44176.2-175-176.9-68.2158.9-12.3112.3R126 V127 L128 N132 K133 H134 G222R126-R130 WeakPolarHBondContact O-CB 3.27Å; R126-R130 PolarHBondContact O-N 3.32Å; R126-R130 VanDerWaalsContact O-N 3.09Å; V127-R130 WeakPolarHBondContact O-CB 3.34Å; V127-R130 PolarHBondContact O-N 3.47Å; V127-R130 VanDerWaalsContact O-N 3.17Å; L128-R130 VanDerWaalsContact C-N 3.27Å; L128-R130 PolarHBondContact O-N 3.14Å; R130-N132 VanDerWaalsContact C-N 3.33Å; R130-K133 PolarHBondContact O-N 3.4Å; R130-H134 PolarHBondContact O-N 2.95Å; R130-H134 PolarHBondContact O-ND1 3.37Å; R130-G222 VanDerWaalsContact CZ-O 3.26Å; R130-G222 PolarHBondContact NH1-O 2.91Å; R130-G222 PolarHBondContact NH2-O 3.13Å
131I75.8Confident75.9Confident78 Ų7889.6 Ų89.640%0.446%0.459SS..Hα-helixtrans-61.4-45.3176.5-67.1167.1000109.7V127 L128 K133 H134 N135V127-I131 HydrophobicContact CG1-CD1 4.01Å; V127-I131 WeakPolarHBondContact O-CG1 3.2Å; V127-I131 PolarHBondContact O-N 3.02Å; L128-I131 PolarHBondContact O-N 3.04Å; I131-K133 VanDerWaalsContact C-N 3.26Å; I131-K133 PolarHBondContact O-N 3.26Å; I131-H134 PolarHBondContact O-N 3.46Å; I131-H134 VanDerWaalsContact O-N 3.17Å; I131-N135 WeakPolarHBondContact O-CB 3.4Å; I131-N135 PolarHBondContact O-N 2.9Å
132N75.7Confident75.9Confident104 Ų10492 Ų9256%0.55647%0.47SS*.Hα-helixtrans-62.8-30.4177.5-73.9-20.6000113.1L128 A129 R130L128-N132 WeakPolarHBondContact O-CB 3.38Å; L128-N132 PolarHBondContact O-N 3.32Å; L128-N132 PolarHBondContact O-ND2 3.49Å; A129-N132 PolarHBondContact O-N 3.47Å; R130-N132 VanDerWaalsContact C-N 3.33Å
133K71Confident76Confident122 Ų12293.7 Ų93.753%0.5348%0.479SS..Hα-helixtrans-70.1-36.1174.8-172.6-178.6176.8-173.80112.7A129 R130 I131 E316A129-K133 PolarHBondContact O-N 2.92Å; R130-K133 PolarHBondContact O-N 3.4Å; I131-K133 VanDerWaalsContact C-N 3.26Å; I131-K133 PolarHBondContact O-N 3.26Å; K133-E316 IonicContact NZ-OE1 2.62Å; K133-E316 PolarHBondContact NZ-OE1 3.31Å
134H65.7Low76.3Confident83 Ų8395.3 Ų95.338%0.38449%0.489SS..Hα-helixtrans-88.6-23.8-178.6-67.979.7000112.7R130 I131 N136R130-H134 PolarHBondContact O-N 2.95Å; R130-H134 PolarHBondContact O-ND1 3.37Å; I131-H134 PolarHBondContact O-N 3.46Å; I131-H134 VanDerWaalsContact O-N 3.17Å; H134-N136 PolarHBondContact O-N 3.36Å
135N67.1Low76.9Confident107 Ų10799 Ų9957%0.57251%0.507SS*.SBendtrans-70.1124.6171.4-108.1-27.2000109.5I131 Q137I131-N135 WeakPolarHBondContact O-CB 3.4Å; I131-N135 PolarHBondContact O-N 2.9Å; N135-Q137 PolarHBondContact O-N 2.95Å
136N66.2Low77.1Confident68 Ų6897.1 Ų97.136%0.36450%0.498SS..  trans-7368.2178.4-164.7-11.7000110.1H134 Q138 A139 L140H134-N136 PolarHBondContact O-N 3.36Å; N136-Q138 PolarHBondContact O-N 3.35Å; N136-Q138 VanDerWaalsContact O-N 3.07Å; N136-A139 HydrophobicContact CB-CB 3.92Å; N136-A139 VanDerWaalsContact ND2-CB 3.26Å; N136-A139 WeakPolarHBondContact ND2-CB 3.33Å; N136-A139 PolarHBondContact O-N 3.46Å; N136-A139 WeakPolarHBondContact OD1-CB 3.47Å; N136-A139 PolarHBondContact OD1-N 3.25Å; N136-L140 PolarHBondContact O-N 2.94Å
137Q69.2Low77.4Confident150 Ų15091.6 Ų91.670%0.70149%0.485SS*.Hα-helixtrans-53.7-32.1-179.5-168.5177.333.500110.6N135 S141N135-Q137 PolarHBondContact O-N 2.95Å; Q137-S141 WeakPolarHBondContact O-CB 3.36Å; Q137-S141 PolarHBondContact O-N 3.37Å; Q137-S141 PolarHBondContact O-OG 2.9Å; Q137-S141 VanDerWaalsContact O-OG 3.13Å
138Q69.5Low78Confident155 Ų15594.1 Ų94.172%0.72450%0.496SS*.Hα-helixtrans-68.6-43.7175-67.1-177.3-3.400113.3N136 L140 S141 H142N136-Q138 PolarHBondContact O-N 3.35Å; N136-Q138 VanDerWaalsContact O-N 3.07Å; Q138-L140 VanDerWaalsContact C-N 3.34Å; Q138-S141 WeakPolarHBondContact CA-OG 3.18Å; Q138-S141 PolarHBondContact O-N 3.34Å; Q138-S141 PolarHBondContact O-OG 2.94Å; Q138-H142 VanDerWaalsContact O-CB 3.26Å; Q138-H142 WeakPolarHBondContact O-CB 3.3Å; Q138-H142 PolarHBondContact O-N 2.87Å
139A72.8Confident78.5Confident45 Ų4595.6 Ų95.637%0.37250%0.498SS..Hα-helixtrans-66.5-38174.700000111.7N136 S143N136-A139 HydrophobicContact CB-CB 3.92Å; N136-A139 VanDerWaalsContact ND2-CB 3.26Å; N136-A139 WeakPolarHBondContact ND2-CB 3.33Å; N136-A139 PolarHBondContact O-N 3.46Å; N136-A139 WeakPolarHBondContact OD1-CB 3.47Å; N136-A139 PolarHBondContact OD1-N 3.25Å; A139-S143 WeakPolarHBondContact O-CB 3.48Å; A139-S143 PolarHBondContact O-N 3.2Å
140L75.9Confident78.9Confident110 Ų11097 Ų9758%0.57650%0.496SS*.Hα-helixtrans-64.7-46.8174.5-178.761.5000110.9N136 Q138 H142 S143 I144N136-L140 PolarHBondContact O-N 2.94Å; Q138-L140 VanDerWaalsContact C-N 3.34Å; L140-H142 PolarHBondContact O-N 2.88Å; L140-S143 PolarHBondContact O-N 2.89Å; L140-I144 HydrophobicContact CD1-CD1 3.97Å; L140-I144 HydrophobicContact CD1-CG1 4.22Å; L140-I144 HydrophobicContact CG-CD1 3.83Å; L140-I144 HydrophobicContact CG-CG1 4.48Å; L140-I144 WeakPolarHBondContact O-CB 3.4Å; L140-I144 VanDerWaalsContact O-CG1 3.26Å; L140-I144 WeakPolarHBondContact O-CG1 3.25Å; L140-I144 PolarHBondContact O-N 3.38Å
141S81Confident79.7Confident65 Ų6599.2 Ų99.246%0.45551%0.51SS..Hα-helixtrans-62.8-42.4178.161.50000111.9Q137 Q138 I144 E145Q137-S141 WeakPolarHBondContact O-CB 3.36Å; Q137-S141 PolarHBondContact O-N 3.37Å; Q137-S141 PolarHBondContact O-OG 2.9Å; Q137-S141 VanDerWaalsContact O-OG 3.13Å; Q138-S141 WeakPolarHBondContact CA-OG 3.18Å; Q138-S141 PolarHBondContact O-N 3.34Å; Q138-S141 PolarHBondContact O-OG 2.94Å; S141-I144 PolarHBondContact O-N 3.38Å; S141-E145 WeakPolarHBondContact O-CB 3.45Å; S141-E145 PolarHBondContact O-N 2.92Å
142H83Confident80.4Confident115 Ų11597.9 Ų97.953%0.53251%0.51SS..Hα-helixtrans-63.4-43.1175.9-173.9-78.2000111.4Q138 L140 E145 E146Q138-H142 VanDerWaalsContact O-CB 3.26Å; Q138-H142 WeakPolarHBondContact O-CB 3.3Å; Q138-H142 PolarHBondContact O-N 2.87Å; L140-H142 PolarHBondContact O-N 2.88Å; H142-E145 PolarHBondContact O-N 2.86Å; H142-E146 IonicContact CE1-OE2 2.95Å; H142-E146 PolarHBondContact CE1-OE2 2.81Å; H142-E146 IonicContact ND1-OE2 3.83Å; H142-E146 VanDerWaalsContact O-CB 3.25Å; H142-E146 WeakPolarHBondContact O-CB 3.49Å; H142-E146 PolarHBondContact O-N 3.28Å
143S85.6Confident80.9Confident76 Ų7697.6 Ų97.653%0.53151%0.507SS..Hα-helixtrans-63.8-40.6177.3-178.20000112.2A139 L140 G147A139-S143 WeakPolarHBondContact O-CB 3.48Å; A139-S143 PolarHBondContact O-N 3.2Å; L140-S143 PolarHBondContact O-N 2.89Å; S143-G147 PolarHBondContact O-N 3.46Å
144I87.6Confident81.6Confident94 Ų9495.8 Ų95.848%0.48250%0.503SS..Hα-helixtrans-65.1-46.5175.6-69.1167.4000110.6L140 S141 G147 L148L140-I144 HydrophobicContact CD1-CD1 3.97Å; L140-I144 HydrophobicContact CD1-CG1 4.22Å; L140-I144 HydrophobicContact CG-CD1 3.83Å; L140-I144 HydrophobicContact CG-CG1 4.48Å; L140-I144 WeakPolarHBondContact O-CB 3.4Å; L140-I144 VanDerWaalsContact O-CG1 3.26Å; L140-I144 WeakPolarHBondContact O-CG1 3.25Å; L140-I144 PolarHBondContact O-N 3.38Å; S141-I144 PolarHBondContact O-N 3.38Å; I144-G147 PolarHBondContact O-N 2.87Å; I144-L148 HydrophobicContact CG2-CD1 3.87Å; I144-L148 WeakPolarHBondContact O-CB 3.38Å; I144-L148 WeakPolarHBondContact O-CG 3.26Å; I144-L148 PolarHBondContact O-N 3.43Å
145E89.8Confident82.6Confident137 Ų137101.2 Ų101.264%0.6452%0.52SS*.Hα-helixtrans-62.9-44.3179.2-175175.7-178.100111.6S141 H142 L148 K149S141-E145 WeakPolarHBondContact O-CB 3.45Å; S141-E145 PolarHBondContact O-N 2.92Å; H142-E145 PolarHBondContact O-N 2.86Å; E145-L148 PolarHBondContact O-N 2.86Å; E145-K149 WeakPolarHBondContact O-CB 3.34Å; E145-K149 PolarHBondContact O-N 2.99Å
146E88.4Confident83.2Confident102 Ų102102.4 Ų102.448%0.47753%0.526SS..Hα-helixtrans-64.2-42176.5-167.7174.5-174.600111.4H142 K149 I150H142-E146 IonicContact CE1-OE2 2.95Å; H142-E146 PolarHBondContact CE1-OE2 2.81Å; H142-E146 IonicContact ND1-OE2 3.83Å; H142-E146 VanDerWaalsContact O-CB 3.25Å; H142-E146 WeakPolarHBondContact O-CB 3.49Å; H142-E146 PolarHBondContact O-N 3.28Å; E146-K149 WeakPolarHBondContact O-CB 3.26Å; E146-K149 PolarHBondContact O-N 2.95Å; E146-I150 HydrophobicContact CG-CD1 4.23Å; E146-I150 VanDerWaalsContact O-CG1 3.31Å; E146-I150 WeakPolarHBondContact O-CG1 3.48Å; E146-I150 PolarHBondContact O-N 2.91Å
147G89.1Confident83.6Confident26 Ų26105.4 Ų105.427%0.26854%0.538SS..Hα-helixtrans-61-45.3174.300000113S143 I144 K149 I150 Q151S143-G147 PolarHBondContact O-N 3.46Å; I144-G147 PolarHBondContact O-N 2.87Å; G147-K149 VanDerWaalsContact C-N 3.32Å; G147-K149 PolarHBondContact O-N 2.95Å; G147-I150 PolarHBondContact O-N 3.3Å; G147-Q151 VanDerWaalsContact O-CG 3.3Å; G147-Q151 WeakPolarHBondContact O-CG 3.42Å; G147-Q151 PolarHBondContact O-N 3.34Å
148L92Very high83.5Confident107 Ų107108 Ų10856%0.5654%0.541SS*.Hα-helixtrans-59.9-42.6174.2-84.1159000111.5I144 E145 Q151 A152I144-L148 HydrophobicContact CG2-CD1 3.87Å; I144-L148 WeakPolarHBondContact O-CB 3.38Å; I144-L148 WeakPolarHBondContact O-CG 3.26Å; I144-L148 PolarHBondContact O-N 3.43Å; E145-L148 PolarHBondContact O-N 2.86Å; L148-Q151 PolarHBondContact O-N 3.11Å; L148-A152 WeakPolarHBondContact O-CB 3.47Å; L148-A152 PolarHBondContact O-N 2.8Å
149K91.1Very high83.1Confident133 Ų133102.8 Ų102.858%0.57853%0.528SS*.Hα-helixtrans-63.7-43.5178.2-169.6175.3-177.7176.50111.9E145 E146 G147 A152 M153E145-K149 WeakPolarHBondContact O-CB 3.34Å; E145-K149 PolarHBondContact O-N 2.99Å; E146-K149 WeakPolarHBondContact O-CB 3.26Å; E146-K149 PolarHBondContact O-N 2.95Å; G147-K149 VanDerWaalsContact C-N 3.32Å; G147-K149 PolarHBondContact O-N 2.95Å; K149-A152 PolarHBondContact O-N 3.07Å; K149-M153 HydrophobicContact CG-CE 4.14Å; K149-M153 WeakPolarHBondContact O-CG 3.43Å; K149-M153 PolarHBondContact O-N 3.34Å
150I88.4Confident82.5Confident88 Ų88107.9 Ų107.945%0.45154%0.542SS..Hα-helixtrans-64.4-43.5176.1-67.3165.5000110.7E146 G147 A152 M153 N154E146-I150 HydrophobicContact CG-CD1 4.23Å; E146-I150 VanDerWaalsContact O-CG1 3.31Å; E146-I150 WeakPolarHBondContact O-CG1 3.48Å; E146-I150 PolarHBondContact O-N 2.91Å; G147-I150 PolarHBondContact O-N 3.3Å; I150-A152 VanDerWaalsContact C-N 3.35Å; I150-A152 PolarHBondContact O-N 2.72Å; I150-M153 PolarHBondContact O-N 2.85Å; I150-N154 WeakPolarHBondContact O-CB 3.28Å; I150-N154 VanDerWaalsContact O-CG 3.3Å; I150-N154 PolarHBondContact O-N 2.86Å; I150-N154 PolarHBondContact O-ND2 2.77Å
151Q88.7Confident81.5Confident118 Ų118109.4 Ų109.455%0.55154%0.544SS*.Hα-helixtrans-62.4-40.9176.4-71.3177.727.700112G147 L148 N154 R155G147-Q151 VanDerWaalsContact O-CG 3.3Å; G147-Q151 WeakPolarHBondContact O-CG 3.42Å; G147-Q151 PolarHBondContact O-N 3.34Å; L148-Q151 PolarHBondContact O-N 3.11Å; Q151-N154 PolarHBondContact O-N 3.08Å; Q151-R155 WeakPolarHBondContact O-CG 3.47Å; Q151-R155 PolarHBondContact O-N 2.85Å
152A89.9Confident80.2Confident50 Ų50113.8 Ų113.841%0.41356%0.557SS.*Hα-helixtrans-63.8-43.7175.300000112.1L148 K149 I150 N154 R155 L156L148-A152 WeakPolarHBondContact O-CB 3.47Å; L148-A152 PolarHBondContact O-N 2.8Å; K149-A152 PolarHBondContact O-N 3.07Å; I150-A152 VanDerWaalsContact C-N 3.35Å; I150-A152 PolarHBondContact O-N 2.72Å; A152-N154 PolarHBondContact O-N 2.63Å; A152-R155 PolarHBondContact O-N 3.17Å; A152-L156 PolarHBondContact O-N 3.31Å; A152-L156 VanDerWaalsContact O-N 3.16Å
153M87Confident78.7Confident98 Ų98116 Ų11648%0.48357%0.568SS.*Hα-helixtrans-62.6-41.3175.4-73-177.4176.800112.2K149 I150 R155 L156 Q157K149-M153 HydrophobicContact CG-CE 4.14Å; K149-M153 WeakPolarHBondContact O-CG 3.43Å; K149-M153 PolarHBondContact O-N 3.34Å; I150-M153 PolarHBondContact O-N 2.85Å; M153-R155 PolarHBondContact O-N 3.21Å; M153-L156 PolarHBondContact O-N 2.82Å; M153-Q157 WeakPolarHBondContact O-CG 3.14Å; M153-Q157 PolarHBondContact O-N 3.23Å
154N85.7Confident77.2Confident84 Ų84119 Ų11945%0.44958%0.577SS.*Hα-helixtrans-66.5-34.1177.5-73.3-20.5000112.8I150 Q151 A152 R158I150-N154 WeakPolarHBondContact O-CB 3.28Å; I150-N154 VanDerWaalsContact O-CG 3.3Å; I150-N154 PolarHBondContact O-N 2.86Å; I150-N154 PolarHBondContact O-ND2 2.77Å; Q151-N154 PolarHBondContact O-N 3.08Å; A152-N154 PolarHBondContact O-N 2.63Å; N154-R158 PolarHBondContact O-N 3.03Å; N154-R158 VanDerWaalsContact O-N 3.14Å
155R87.2Confident75.6Confident198 Ų198121.5 Ų121.575%0.74759%0.587SS**Hα-helixtrans-63.5-43.8172.1-74.8-179.6-177-137.72.1111.6Q151 A152 M153 R158 G159Q151-R155 WeakPolarHBondContact O-CG 3.47Å; Q151-R155 PolarHBondContact O-N 2.85Å; A152-R155 PolarHBondContact O-N 3.17Å; M153-R155 PolarHBondContact O-N 3.21Å; R155-R158 PolarHBondContact O-N 3.5Å; R155-G159 PolarHBondContact O-N 2.9Å
156L79.1Confident73.7Confident132 Ų132122.2 Ų122.269%0.69160%0.595SS**Hα-helixtrans-65.1-39.6178.1-72.7159.9000112.4A152 M153 G159 K160A152-L156 PolarHBondContact O-N 3.31Å; A152-L156 VanDerWaalsContact O-N 3.16Å; M153-L156 PolarHBondContact O-N 2.82Å; L156-G159 PolarHBondContact O-N 3.27Å; L156-K160 PolarHBondContact O-N 2.67Å
157Q74.2Confident71.5Confident131 Ų131120.4 Ų120.461%0.61260%0.604SS**Hα-helixtrans-70.1-35.4178.9-70.8-175.31200113M153 G159 K160 K161M153-Q157 WeakPolarHBondContact O-CG 3.14Å; M153-Q157 PolarHBondContact O-N 3.23Å; Q157-G159 VanDerWaalsContact C-N 3.31Å; Q157-G159 PolarHBondContact O-N 2.96Å; Q157-K160 PolarHBondContact O-N 3.2Å; Q157-K161 PolarHBondContact O-N 2.66Å; Q157-K161 VanDerWaalsContact O-N 3.1Å
158R67.6Low69.2Low205 Ų205125.1 Ų125.177%0.77463%0.633SS**Hα-helixtrans-63-37.1173.6-80.8-176.7164.5-169-4.1112.4N154 R155 K160 K161 Q162N154-R158 PolarHBondContact O-N 3.03Å; N154-R158 VanDerWaalsContact O-N 3.14Å; R155-R158 PolarHBondContact O-N 3.5Å; R158-K160 VanDerWaalsContact C-N 3.34Å; R158-K160 PolarHBondContact O-N 3.25Å; R158-K161 PolarHBondContact O-N 2.65Å; R158-Q162 PolarHBondContact O-N 3.21Å
159G61.4Low66.7Low44 Ų44123.4 Ų123.445%0.45464%0.64SS.*Hα-helixtrans-64.4-35.5173.800000113.5R155 L156 Q157R155-G159 PolarHBondContact O-N 2.9Å; L156-G159 PolarHBondContact O-N 3.27Å; Q157-G159 VanDerWaalsContact C-N 3.31Å; Q157-G159 PolarHBondContact O-N 2.96Å
160K60.8Low64.5Low153 Ų153121.4 Ų121.467%0.66565%0.649SS**Hα-helixtrans-75.7-32.6178.3-102.7177.9173178.50113.8L156 Q157 R158 Q163L156-K160 PolarHBondContact O-N 2.67Å; Q157-K160 PolarHBondContact O-N 3.2Å; R158-K160 VanDerWaalsContact C-N 3.34Å; R158-K160 PolarHBondContact O-N 3.25Å; K160-Q163 PolarHBondContact O-N 2.98Å
161K54.9Low62.6Low141 Ų141126.1 Ų126.161%0.61367%0.669SS**Hα-helixtrans-72.6-30.2-179.6-157.9170.8179.4-176.90112.7Q157 R158 Q163 I164Q157-K161 PolarHBondContact O-N 2.66Å; Q157-K161 VanDerWaalsContact O-N 3.1Å; R158-K161 PolarHBondContact O-N 2.65Å; K161-Q163 PolarHBondContact O-N 2.94Å; K161-I164 PolarHBondContact O-N 3.47Å
162Q52.4Low60.7Low157 Ų157126.9 Ų126.973%0.73468%0.677SS**Hα-helixtrans-68.7-19.1172.5-82.3179-3.300113.9R158R158-Q162 PolarHBondContact O-N 3.21Å
163Q51.6Low58.8Low161 Ų161131.3 Ų131.375%0.75269%0.694SS**Hα-helixtrans-86.6-16.1174.4-95.5-176.3-4.100114.2K160 K161K160-Q163 PolarHBondContact O-N 2.98Å; K161-Q163 PolarHBondContact O-N 2.94Å
164I55Low56.7Low139 Ų139130.3 Ų130.371%0.71371%0.708SS**Hα-helixtrans-95.6-20.8-175.7-63.2173.2000112.3K161K161-I164 PolarHBondContact O-N 3.47Å
165E52.8Low54.6Low148 Ų148133.4 Ų133.469%0.69273%0.725SS**SBendtrans-90.3-4.8177.5-76.9177.8176.700114.6
166N50.8Low52.8Low151 Ų151128.9 Ų128.981%0.80772%0.723SS**SBendtrans-121.231.8-175.6-77.1-13.9000114.5
167G42.1Very low51.5Low65 Ų65128.5 Ų128.567%0.6773%0.732SS**  trans-136.352.2-169.800000116.5
168S41.6Very low50Low125 Ų125129.8 Ų129.887%0.87474%0.738SS**  trans-161.8115.3161.4580000112.3
169G38.5Very low48.8Very low70 Ų70126.2 Ų126.272%0.72274%0.743SS**  trans103.898.9176.700000111.4
170A45.4Very low47.9Very low92 Ų92127.5 Ų127.576%0.7675%0.745SS**  48.8114.959.500000108.6
171E47.5Very low47Very low187 Ų187128 Ų12887%0.87476%0.755SS**  cis-161.6167.322.7-58.9178.5141.800107.7
172D48.5Very low46.3Very low134 Ų134124.9 Ų124.972%0.71776%0.755SS**  trans94.3116.3143.8-146.735.8000121.1
173N51.6Low45.8Very low143 Ų143122.5 Ų122.577%0.76576%0.756SS**  trans60.4124.3154.2-60.5-32.8000119.4
174G43.2Very low45.4Very low76 Ų76120.3 Ų120.378%0.78475%0.753SS**  cis130.2107.22000000108.3
175D41.3Very low44.8Very low149 Ų149121.4 Ų121.480%0.79776%0.755SS**  trans-168116.1137.1-153.9-1000112.4
176S49.6Very low44.1Very low103 Ų103118.8 Ų118.872%0.7275%0.753SS**  trans-7.7141.7148.6-22.10000117.2
177S50.5Low43.7Very low124 Ų124118.5 Ų118.587%0.86775%0.751SS**  -162.2147.560.660.10000113.9
178H43.2Very low43.9Very low159 Ų159123.3 Ų123.374%0.73676%0.757SS**  trans-95.7140.5-170.4160.2-66000112.4S180H178-S180 PolarHBondContact CE1-OG 2.77Å; H178-S180 PolarHBondContact NE2-OG 2.71Å
179C42.7Very low43.8Very low130 Ų130125.7 Ų125.788%0.87875%0.754SS**  trans-154134.1138.651.40000111.5
180S42.8Very low43.9Very low71 Ų71127 Ų12750%0.49776%0.758SS.*  trans-106.4160.8-162.2-51.50000111.7H178H178-S180 PolarHBondContact CE1-OG 2.77Å; H178-S180 PolarHBondContact NE2-OG 2.71Å
181N41.5Very low43.5Very low164 Ų164126.1 Ų126.188%0.87776%0.758SS**  trans57151.9144.1-79.81000118.4
182A39.6Very low43.2Very low75 Ų75123 Ų12362%0.6275%0.754SS**  cis-172.9156.3-11.300000104.6
183S42.1Very low42.8Very low107 Ų107121.7 Ų121.775%0.74876%0.755SS**  trans40.7131.9145-40.20000118.9
184T42.3Very low42.3Very low114 Ų114121.4 Ų121.470%0.69975%0.754SS**  cis169.4158.740.9-3.30000108.7
185H42.8Very low42.1Very low163 Ų163126.9 Ų126.976%0.75576%0.756SS**  trans81.4106.1151-70.5-60.3000123.5
186S39.5Very low41.9Very low92 Ų92131.7 Ų131.764%0.64376%0.763SS**  77.4120.1119.3-58.20000123.2
187N41.4Very low41.4Very low145 Ų145133.2 Ų133.278%0.77577%0.768SS**  trans70.2105.4136-71.1-2.8000120.6
188Q45.7Very low40.7Very low167 Ų167137 Ų13778%0.7877%0.769SS**  157.4132.9101.5-98.1167.727.800112.8
189E41.2Very low40.6Very low175 Ų175136.1 Ų136.182%0.81878%0.775SS**  trans68.9121.8143.5-64.4-167.5130.700123.2
190A40.6Very low40.5Very low97 Ų97134.6 Ų134.680%0.80277%0.766SS**  trans79.798.9134.200000120.7
191G36.4Very low40.5Very low74 Ų74138.7 Ų138.776%0.76378%0.782SS**  85.2158.6113.800000119
192P40.9Very low40.4Very low122 Ų122138 Ų13879%0.79278%0.778SS**  -126.5156.7-115.337.7-25.7000115.3
193S39.4Very low40.7Very low106 Ų106140.1 Ų140.174%0.74179%0.788SS**  trans148.9117.8140.2-76.80000112
194N41.7Very low40.5Very low137 Ų137137.8 Ų137.873%0.73378%0.781SS**  162.8128.3123.2-88.2-48.2000113.3
195K39.8Very low40.8Very low190 Ų190139.8 Ų139.883%0.82679%0.787SS**  trans60.8108.8136.4-65.1177.1179.6176.30121.2
196R36.7Very low40.5Very low250 Ų250140.8 Ų140.894%0.94379%0.792SS**  trans18.5118.2133.8-82.8-179.4169.5176.9-3.2119.3
197T38.4Very low40.9Very low135 Ų135143.7 Ų143.783%0.82880%0.799SS**  -161.1104.2129.6-13.70000108.6
198K35.6Very low40.7Very low204 Ų204143.2 Ų143.289%0.88780%0.797SS**  49.298.1108.8-161176.6-179.5-178.70115.6
199T41Very low40.4Very low141 Ų141142.2 Ų142.287%0.86580%0.797SS**  trans-130135.7151.452.50000108.3
200S40.9Very low40.2Very low98 Ų98140.4 Ų140.469%0.68579%0.793SS**  trans-80.4172.9-178.244.40000112.2
201D41.9Very low40Very low156 Ų156142.1 Ų142.183%0.83479%0.788SS**  trans96.580.2167.8-51.2-20.1000115.2
202D41.3Very low39.8Very low151 Ų151142.3 Ų142.381%0.80778%0.782SS**  trans-141.1114.1146.2-168.127.9000109.8G204D202-G204 VanDerWaalsContact C-N 3.29Å; D202-G204 PolarHBondContact O-N 3.23Å
203S45.1Very low39.5Very low118 Ų118140.5 Ų140.583%0.82578%0.778SS**  trans-72.781.6175.136.20000109.9
204G38.8Very low39.4Very low58 Ų58143.6 Ų143.660%0.59878%0.783SS**  trans-80.6112.3168.500000110.4D202 E206D202-G204 VanDerWaalsContact C-N 3.29Å; D202-G204 PolarHBondContact O-N 3.23Å; G204-E206 PolarHBondContact O-N 3.37Å
205L48.6Very low39.1Very low156 Ų156141.4 Ų141.482%0.81778%0.784SS**  trans-62.8113.6170.1-66.3169.3000108.7L207L205-L207 VanDerWaalsContact C-N 3.33Å; L205-L207 PolarHBondContact O-N 3.37Å
206E36.6Very low39.2Very low185 Ų185138.9 Ų138.986%0.86478%0.778SS**  trans-67.594.9166.8-56.7-156.3145.900107.6G204 D208G204-E206 PolarHBondContact O-N 3.37Å; E206-D208 PolarHBondContact O-N 3.11Å
207L46.9Very low39.3Very low153 Ų153132.8 Ų132.880%0.80176%0.764SS**  trans-70.6105.7156.2-95.885.7000105.9L205 N209L205-L207 VanDerWaalsContact C-N 3.33Å; L205-L207 PolarHBondContact O-N 3.37Å; L207-N209 PolarHBondContact O-N 3.03Å
208D38.1Very low39.3Very low134 Ų134132.2 Ų132.272%0.71776%0.762SS**  trans-43.4109.3162.4-85.7-39.5000108.6E206 N210E206-D208 PolarHBondContact O-N 3.11Å; D208-N210 PolarHBondContact O-N 3.16Å
209N38Very low39.6Very low146 Ų146127.5 Ų127.578%0.78175%0.75SS**  trans-75.155.5172.8-164.116.5000108.8L207 N211L207-N209 PolarHBondContact O-N 3.03Å; N209-N211 PolarHBondContact O-N 2.8Å; N209-N211 VanDerWaalsContact O-N 3.11Å
210N37.1Very low39.7Very low138 Ų138126.1 Ų126.174%0.73874%0.735SS**  trans-8066155.6-72.6-33.9000106.5D208 A212D208-N210 PolarHBondContact O-N 3.16Å; N210-A212 PolarHBondContact O-N 3.08Å
211N35.7Very low39.8Very low133 Ų133128.3 Ų128.371%0.71174%0.74SS**  trans-69.175.2151.9-155.124.8000104.9N209 A213N209-N211 PolarHBondContact O-N 2.8Å; N209-N211 VanDerWaalsContact O-N 3.11Å; N211-A213 PolarHBondContact O-N 3.34Å
212A34.1Very low40.1Very low77 Ų77122.7 Ų122.764%0.63672%0.718SS**  trans-49.5105.1151.900000102.8N210 M214N210-A212 PolarHBondContact O-N 3.08Å; A212-M214 VanDerWaalsContact C-N 3.34Å; A212-M214 PolarHBondContact O-N 3.21Å
213A34.2Very low40.7Very low85 Ų85116.2 Ų116.270%0.70269%0.686SS**  trans-38.9113.4165.100000104.3N211 A215N211-A213 PolarHBondContact O-N 3.34Å; A213-A215 PolarHBondContact O-N 3.47Å
214M37.1Very low41.9Very low171 Ų171110.8 Ų110.884%0.84265%0.648SS**  trans-56.890.5165.4-80.2-10016800102.8A212 I216A212-M214 VanDerWaalsContact C-N 3.34Å; A212-M214 PolarHBondContact O-N 3.21Å; M214-I216 PolarHBondContact O-N 3.38Å
215A34.6Very low44Very low90 Ų90111.9 Ų111.974%0.74464%0.637SS**  trans-60.688.6158.500000101.5A213 D217A213-A215 PolarHBondContact O-N 3.47Å; A215-D217 PolarHBondContact O-N 3.26Å
216I41.5Very low45.9Very low137 Ų137105.2 Ų105.270%0.70360%0.602SS**  trans-60.295.9163.2-62.7173.3000101.8M214 P218M214-I216 PolarHBondContact O-N 3.38Å; I216-P218 VanDerWaalsContact O-N 3.16Å
217D38.7Very low48.5Very low123 Ų123101.7 Ų101.766%0.65859%0.586SS**  trans-50.4121.9176.5-151.3-21.4000106.2A215 V219A215-D217 PolarHBondContact O-N 3.26Å; D217-V219 PolarHBondContact O-N 3.02Å
218P40.1Very low50.7Low122 Ų12294.6 Ų94.679%0.79255%0.549SS*.SBendtrans-719.9-171.3-11.725.8000113.3I216 M220I216-P218 VanDerWaalsContact O-N 3.16Å; P218-M220 VanDerWaalsContact C-N 3.34Å; P218-M220 PolarHBondContact O-N 3.16Å
219V41.6Very low53.4Low105 Ų10588.9 Ų88.964%0.63652%0.518SS*.  trans-94.362.3-176.4-161.40000110.2D217D217-V219 PolarHBondContact O-N 3.02Å
220M43.5Very low56.1Low112 Ų11281.9 Ų81.955%0.55248%0.481SS*.  trans-140.495.6150-73-58.415600107.7P218 G222 E225P218-M220 VanDerWaalsContact C-N 3.34Å; P218-M220 PolarHBondContact O-N 3.16Å; M220-G222 PolarHBondContact O-N 2.97Å; M220-E225 HydrophobicContact CE-CG 3.74Å; M220-E225 WeakPolarHBondContact CE-OE1 3.39Å; M220-E225 HydrophobicContact SD-CG 3.93Å
221D42.8Very low58.7Low145 Ų14578.7 Ų78.778%0.77546%0.459SS*.  trans-39.3139.9139.5-176.619.9000107.7A223D221-A223 PolarHBondContact O-N 3.18Å
222G47.7Very low61.5Low37 Ų3773.6 Ų73.638%0.38143%0.433SS..SBendtrans-63.725.6-164.300000116.5R130 M220R130-G222 VanDerWaalsContact CZ-O 3.26Å; R130-G222 PolarHBondContact NH1-O 2.91Å; R130-G222 PolarHBondContact NH2-O 3.13Å; M220-G222 PolarHBondContact O-N 2.97Å
223A54.3Low64.2Low15 Ų1570.4 Ų70.412%0.12441%0.405CS..PPolyproline II helixtrans-72.1121.716400000111.5D221 S251D221-A223 PolarHBondContact O-N 3.18Å; A223-S251 WeakPolarHBondContact CB-OG 3.46Å
224S69.1Low66.8Low4 Ų470.3 Ų70.33%0.02840%0.397CS..PPolyproline II helixtrans-55.8138.1159.433.10000109.1S251 G252 E312S224-S251 CarbonylContact O-C 3.6Å; S224-S251 WeakPolarHBondContact O-CA 3.38Å; S224-G252 PolarHBondContact O-N 3.36Å; S224-E312 PolarHBondContact OG-OE1 3.03Å
225E83.6Confident69.1Low82 Ų8267.6 Ų67.638%0.38339%0.39SS..EExtended strand (participates in β ladder)trans-86.4137.5168.2-68.7-176.2118.400109.3M220 K249 T250M220-E225 HydrophobicContact CE-CG 3.74Å; M220-E225 WeakPolarHBondContact CE-OE1 3.39Å; M220-E225 HydrophobicContact SD-CG 3.93Å; E225-K249 VanDerWaalsContact OE1-CE 3.28Å; E225-K249 WeakPolarHBondContact OE1-CE 3.28Å; E225-K249 IonicContact OE1-NZ 2.75Å; E225-K249 PolarHBondContact OE1-NZ 2.95Å; E225-K249 WeakPolarHBondContact OE2-CE 2.95Å; E225-K249 IonicContact OE2-NZ 3.34Å; E225-K249 PolarHBondContact OE2-NZ 3.15Å; E225-T250 CarbonylContact C-O 3.52Å; E225-T250 WeakPolarHBondContact CA-O 3.48Å
226I87.6Confident71.6Confident15 Ų1566.8 Ų66.88%0.07737%0.373CS..EExtended strand (participates in β ladder)trans-122.5127.4177.7-62.8-172.4000109.1K249 T250 G252 L311 E312 M325I226-K249 WeakPolarHBondContact O-CA 3.44Å; I226-T250 PolarHBondContact N-O 2.9Å; I226-T250 PolarHBondContact O-N 3.04Å; I226-G252 VanDerWaalsContact CD1-CA 3.49Å; I226-L311 VanDerWaalsContact CD1-C 3.41Å; I226-L311 HydrophobicContact CD1-CB 3.76Å; I226-E312 HydrophobicContact CD1-CB 4.33Å; I226-M325 HydrophobicContact CG2-CE 4.17Å
227E92.1Very high73.5Confident112 Ų11262.4 Ų62.452%0.52335%0.35SS..EExtended strand (participates in β ladder)trans-93.1133.8170.8-63.4180175.700109.7K249 P324 M325E227-K249 HydrophobicContact CG-CG 4.17Å; E227-P324 HydrophobicContact CB-CB 4.22Å; E227-P324 HydrophobicContact CB-CG 4.4Å; E227-P324 CarbonylContact O-C 3.58Å; E227-P324 WeakPolarHBondContact O-CA 3.44Å; E227-M325 PolarHBondContact O-N 3.23Å
228L93.5Very high75Confident4 Ų465.1 Ų65.12%0.02136%0.359CS..EExtended strand (participates in β ladder)trans-140.3148.8-178.867.487.5000112.7F230 I248 T250 L259 L311 M325 L327L228-F230 HydrophobicContact CD1-CB 3.83Å; L228-F230 HydrophobicContact CD1-CG 4.29Å; L228-I248 HydrophobicContact CD1-CB 3.69Å; L228-I248 HydrophobicContact CD1-CD1 3.88Å; L228-I248 HydrophobicContact CD1-CG1 4.1Å; L228-I248 HydrophobicContact CG-CB 3.92Å; L228-I248 PolarHBondContact N-O 3.15Å; L228-I248 PolarHBondContact O-N 3.28Å; L228-T250 HydrophobicContact CD2-CG2 4.22Å; L228-L259 HydrophobicContact CD2-CD1 3.89Å; L228-L259 HydrophobicContact CD2-CD2 3.91Å; L228-L311 HydrophobicContact CD2-CD1 3.97Å; L228-M325 CarbonylContact C-O 3.47Å; L228-M325 WeakPolarHBondContact CA-O 3.33Å; L228-M325 HydrophobicContact CB-CB 4.31Å; L228-M325 VanDerWaalsContact CB-O 3.32Å; L228-M325 WeakPolarHBondContact CB-O 3.39Å; L228-L327 HydrophobicContact CD2-CD1 4.46Å
229V94.5Very high76.3Confident13 Ų1369.6 Ų69.68%0.07937%0.366CS..EExtended strand (participates in β ladder)trans-110.2112.8174.4-175.40000107.1R231 T245 Y247 P324 M325 E326 L327V229-R231 HydrophobicContact CG1-CG 4.1Å; V229-T245 HydrophobicContact CG1-CG2 3.6Å; V229-Y247 HydrophobicContact CG1-CD1 4.39Å; V229-Y247 HydrophobicContact CG1-CE1 4.04Å; V229-Y247 HydrophobicContact CG2-CD1 4.05Å; V229-Y247 HydrophobicContact CG2-CE1 4.1Å; V229-P324 HydrophobicContact CG2-CB 4.04Å; V229-M325 PolarHBondContact N-O 3.46Å; V229-E326 HydrophobicContact CB-CG 4.37Å; V229-E326 WeakPolarHBondContact O-CA 3.4Å; V229-L327 PolarHBondContact O-N 2.95Å
230F93.9Very high77.4Confident0 Ų069.3 Ų69.30%036%0.361CS..EExtended strand (participates in β ladder)trans-106.4111.3-172.8-152-170.5000110.4L228 T245 R246 I248 L259 L263 I293 L327 Y329L228-F230 HydrophobicContact CD1-CB 3.83Å; L228-F230 HydrophobicContact CD1-CG 4.29Å; F230-T245 WeakPolarHBondContact O-CA 3.43Å; F230-R246 HydrophobicContact CB-CB 4.22Å; F230-R246 PolarHBondContact N-O 3.16Å; F230-R246 PolarHBondContact O-N 3.41Å; F230-I248 HydrophobicContact CB-CD1 4.24Å; F230-I248 HydrophobicContact CD1-CD1 3.86Å; F230-L259 HydrophobicContact CE1-CB 4.36Å; F230-L259 HydrophobicContact CZ-CB 4.37Å; F230-L263 HydrophobicContact CE1-CB 4.12Å; F230-L263 HydrophobicContact CE1-CD2 4.22Å; F230-L263 HydrophobicContact CZ-CD2 4.32Å; F230-I293 HydrophobicContact CE2-CD1 4.01Å; F230-I293 HydrophobicContact CE2-CG2 3.99Å; F230-I293 HydrophobicContact CZ-CD1 3.53Å; F230-I293 HydrophobicContact CZ-CG1 4.32Å; F230-I293 HydrophobicContact CZ-CG2 4.34Å; F230-L327 CarbonylContact C-O 3.6Å; F230-L327 WeakPolarHBondContact CA-O 3.2Å; F230-L327 HydrophobicContact CD2-CB 3.71Å; F230-L327 HydrophobicContact CE2-CB 3.96Å; F230-Y329 HydrophobicContact CD1-CD1 4.29Å; F230-Y329 AromaticContact CD2-CD1 3.66Å; F230-Y329 HydrophobicContact CD2-CD1 3.66Å; F230-Y329 HydrophobicContact CD2-CE1 4.46Å; F230-Y329 HydrophobicContact CE1-CD1 4.37Å; F230-Y329 AromaticContact CE2-CD1 3.74Å; F230-Y329 HydrophobicContact CE2-CD1 3.74Å; F230-Y329 HydrophobicContact CE2-CG 4.24Å; F230-Y329 AromaticContact CG-CD1 3.96Å; F230-Y329 HydrophobicContact CG-CD1 3.96Å; F230-Y329 HydrophobicContact CG-CE1 4.38Å; F230-Y329 HydrophobicContact CZ-CD1 4.12Å; F230-Y329 HydrophobicContact CZ-CG 4.45Å
231R93.6Very high77.9Confident70 Ų7071.8 Ų71.826%0.26438%0.376SS..EExtended strand (participates in β ladder)trans-115151.8-171.9-61.5-174-172.3135.16.9112.5V229 T245 E326 L327 Y328 Y329V229-R231 HydrophobicContact CG1-CG 4.1Å; R231-T245 HydrophobicContact CG-CG2 3.86Å; R231-E326 IonicContact CZ-OE1 3.39Å; R231-E326 IonicContact CZ-OE2 2.7Å; R231-E326 IonicContact NH1-OE1 2.77Å; R231-E326 PolarHBondContact NH1-OE1 3.09Å; R231-E326 IonicContact NH1-OE2 3.67Å; R231-E326 PolarHBondContact NH1-OE2 3.17Å; R231-E326 VanDerWaalsContact NH2-CD 3.28Å; R231-E326 IonicContact NH2-OE1 3.47Å; R231-E326 PolarHBondContact NH2-OE1 3.48Å; R231-E326 IonicContact NH2-OE2 3.58Å; R231-L327 PolarHBondContact N-O 3.16Å; R231-Y328 HydrophobicContact CB-CD1 3.82Å; R231-Y328 HydrophobicContact CB-CE1 3.89Å; R231-Y328 PolarHBondContact NH1-OH 2.84Å; R231-Y328 VanDerWaalsContact NH1-OH 3.12Å; R231-Y328 CarbonylContact O-C 3.49Å; R231-Y328 WeakPolarHBondContact O-CA 3.17Å; R231-Y329 WeakPolarHBondContact O-CD1 3.12Å; R231-Y329 WeakPolarHBondContact O-CE1 3.34Å; R231-Y329 PolarHBondContact O-N 3.37Å
232P92.7Very high78.8Confident27 Ų2768.8 Ų68.818%0.17537%0.367CS..EExtended strand (participates in β ladder)trans-55.7140.7164.2-25.335.9000111.7M237 A243P232-M237 VanDerWaalsContact CA-SD 3.54Å; P232-M237 HydrophobicContact CB-CB 4.33Å; P232-M237 HydrophobicContact CB-CE 4.21Å; P232-M237 HydrophobicContact CB-CG 4.37Å; P232-M237 HydrophobicContact CB-SD 3.49Å; P232-M237 WeakPolarHBondContact CB-SD 3.4Å; P232-M237 HydrophobicContact CG-SD 4.42Å; P232-A243 HydrophobicContact CB-CB 4.07Å; P232-A243 HydrophobicContact CG-CB 3.51Å; P232-A243 WeakPolarHBondContact CG-O 3.37Å
233H92Very high79.9Confident10 Ų1068.4 Ų68.45%0.04636%0.36CS..  trans-66125.5174.8-171.1-76.2000110.5T235 L236 M237 Y294 F302 Y329 A330H233-T235 PolarHBondContact CE1-OG1 3.18Å; H233-T235 PolarHBondContact ND1-N 2.91Å; H233-T235 PolarHBondContact ND1-OG1 3.35Å; H233-T235 PolarHBondContact O-N 3.29Å; H233-L236 HydrophobicContact CB-CB 4.03Å; H233-L236 WeakPolarHBondContact ND1-CG 3.44Å; H233-L236 PolarHBondContact ND1-N 3.4Å; H233-L236 PolarHBondContact O-N 3.17Å; H233-M237 PolarHBondContact O-N 3.49Å; H233-Y294 AromaticContact CD2-CD2 3.81Å; H233-Y294 AromaticContact CD2-CG 3.81Å; H233-F302 AromaticContact CD2-CD1 3.95Å; H233-F302 AromaticContact NE2-CD1 3.73Å; H233-F302 AromaticContact NE2-CD2 3.88Å; H233-F302 AromaticContact NE2-CG 3.42Å; H233-F302 WeakPolarHBondContact NE2-CG 3.39Å; H233-Y329 VanDerWaalsContact CB-O 3.32Å; H233-Y329 WeakPolarHBondContact CB-O 3.42Å; H233-Y329 PolarHBondContact N-O 3.19Å; H233-A330 HydrophobicContact CB-CB 3.98Å
234P87.8Confident81.2Confident82 Ų8273.4 Ų73.453%0.53238%0.381SS..THydrogen-bonded Turntrans-64.8-22-164.824.2-35.4000115.1F302P234-F302 HydrophobicContact CG-CE1 4.25Å; P234-F302 HydrophobicContact CG-CE2 3.92Å; P234-F302 HydrophobicContact CG-CZ 3.55Å
235T86.5Confident82.2Confident114 Ų11475.9 Ų75.970%0.69940%0.396SS*.THydrogen-bonded Turntrans-118.8-13.3-178.859.20000114.7H233H233-T235 PolarHBondContact CE1-OG1 3.18Å; H233-T235 PolarHBondContact ND1-N 2.91Å; H233-T235 PolarHBondContact ND1-OG1 3.35Å; H233-T235 PolarHBondContact O-N 3.29Å
236L86.4Confident82.6Confident73 Ų7372.9 Ų72.938%0.38238%0.381SS..THydrogen-bonded Turntrans-103.1-14.6-175.6-68.5175.8000112.4H233 Y294 A330H233-L236 HydrophobicContact CB-CB 4.03Å; H233-L236 WeakPolarHBondContact ND1-CG 3.44Å; H233-L236 PolarHBondContact ND1-N 3.4Å; H233-L236 PolarHBondContact O-N 3.17Å; L236-Y294 HydrophobicContact CD1-CE1 4.31Å; L236-Y294 HydrophobicContact CD1-CE2 4.29Å; L236-A330 HydrophobicContact CB-CB 3.77Å; L236-A330 HydrophobicContact CD1-CB 4.03Å
237M81.7Confident82.9Confident46 Ų4681 Ų8123%0.22741%0.412CS..SBendtrans-102.9138.1171.6-64.8-165.460.700109.2P232 H233 A243 Y329 A330P232-M237 VanDerWaalsContact CA-SD 3.54Å; P232-M237 HydrophobicContact CB-CB 4.33Å; P232-M237 HydrophobicContact CB-CE 4.21Å; P232-M237 HydrophobicContact CB-CG 4.37Å; P232-M237 HydrophobicContact CB-SD 3.49Å; P232-M237 WeakPolarHBondContact CB-SD 3.4Å; P232-M237 HydrophobicContact CG-SD 4.42Å; H233-M237 PolarHBondContact O-N 3.49Å; M237-A243 HydrophobicContact CE-CB 3.96Å; M237-Y329 HydrophobicContact CE-CD2 4.45Å; M237-Y329 HydrophobicContact CE-CE2 3.87Å; M237-Y329 HydrophobicContact SD-CD2 3.68Å; M237-Y329 HydrophobicContact SD-CE2 3.54Å; M237-Y329 VanDerWaalsContact SD-CE2 3.54Å; M237-A330 HydrophobicContact CG-CB 4.49Å
238E70.3Confident82.9Confident179 Ų17976.7 Ų76.784%0.83639%0.392SS*.  trans-64.3151.5167.4-63.3-166.7164.900109D240E238-D240 PolarHBondContact O-N 3.43Å
239K66.8Low82.9Confident217 Ų21781.9 Ų81.994%0.94342%0.415SS*.  trans-71.570.3174-70.2-178.6177.7176.70108.9
240D64.1Low82.7Confident98 Ų9883.3 Ų83.352%0.52442%0.424SS..  trans-91129.3171.1-167.1-25.6000107.9E238 S242 A243E238-D240 PolarHBondContact O-N 3.43Å; D240-S242 PolarHBondContact O-N 3.32Å; D240-S242 WeakPolarHBondContact OD1-CB 3.45Å; D240-S242 PolarHBondContact OD1-N 3.29Å; D240-S242 PolarHBondContact OD1-OG 3.01Å; D240-A243 WeakPolarHBondContact O-CB 3.5Å; D240-A243 PolarHBondContact O-N 3.1Å
241D54.5Low82.5Confident165 Ų16585.2 Ų85.288%0.88244%0.437SS*.THydrogen-bonded Turntrans-59.3-16177.3-74.6-34.3000112.4A243D241-A243 VanDerWaalsContact C-N 3.29Å; D241-A243 PolarHBondContact O-N 3.15Å
242S61.7Low82.3Confident82 Ų8281.9 Ų81.957%0.57342%0.424SS*.THydrogen-bonded Turntrans-74.3-16.4177-49.70000113.7D240 Q244D240-S242 PolarHBondContact O-N 3.32Å; D240-S242 WeakPolarHBondContact OD1-CB 3.45Å; D240-S242 PolarHBondContact OD1-N 3.29Å; D240-S242 PolarHBondContact OD1-OG 3.01Å; S242-Q244 PolarHBondContact O-N 3.46Å
243A72.1Confident82.1Confident29 Ų2984.8 Ų84.824%0.2444%0.438CS..  trans-84.182-174.100000111.8P232 M237 D240 D241P232-A243 HydrophobicContact CB-CB 4.07Å; P232-A243 HydrophobicContact CG-CB 3.51Å; P232-A243 WeakPolarHBondContact CG-O 3.37Å; M237-A243 HydrophobicContact CE-CB 3.96Å; D240-A243 WeakPolarHBondContact O-CB 3.5Å; D240-A243 PolarHBondContact O-N 3.1Å; D241-A243 VanDerWaalsContact C-N 3.29Å; D241-A243 PolarHBondContact O-N 3.15Å
244Q80.9Confident82.1Confident119 Ų11985 Ų8556%0.55644%0.442SS*.  trans-81.4145.1-177.6-64.7-177.10.400113.3S242 Y329S242-Q244 PolarHBondContact O-N 3.46Å; Q244-Y329 PolarHBondContact O-OH 2.85Å
245T90.3Very high82.5Confident56 Ų5682.5 Ų82.534%0.34443%0.425SS..  trans-72.1132165.8-65.80000109.4V229 F230 R231 Y247V229-T245 HydrophobicContact CG1-CG2 3.6Å; F230-T245 WeakPolarHBondContact O-CA 3.43Å; R231-T245 HydrophobicContact CG-CG2 3.86Å; T245-Y247 HydrophobicContact CG2-CE2 4.18Å
246R91.4Very high82.9Confident20 Ų2077.2 Ų77.28%0.07539%0.392CS..EExtended strand (participates in β ladder)trans-113.4137.6-177.1-51.9178.1178.5-79.53.6110.2F230 I248 R266 E270F230-R246 HydrophobicContact CB-CB 4.22Å; F230-R246 PolarHBondContact N-O 3.16Å; F230-R246 PolarHBondContact O-N 3.41Å; R246-I248 HydrophobicContact CB-CD1 4.26Å; R246-I248 HydrophobicContact CB-CG1 4.3Å; R246-R266 VanDerWaalsContact NH1-CG 3.35Å; R246-E270 IonicContact CZ-OE1 3.49Å; R246-E270 IonicContact CZ-OE2 3.57Å; R246-E270 IonicContact NH1-OE1 2.69Å; R246-E270 PolarHBondContact NH1-OE1 3.22Å; R246-E270 IonicContact NH1-OE2 3.53Å; R246-E270 IonicContact NH2-OE1 2.66Å; R246-E270 PolarHBondContact NH2-OE1 2.81Å; R246-E270 IonicContact NH2-OE2 3.74Å; R246-E270 PolarHBondContact NH2-OE2 3.05Å
247Y94.1Very high83.3Confident184 Ų18476.8 Ų76.872%0.72239%0.391SS*.EExtended strand (participates in β ladder)trans-107.7120.5175.1-58.1-87.5000108V229 T245V229-Y247 HydrophobicContact CG1-CD1 4.39Å; V229-Y247 HydrophobicContact CG1-CE1 4.04Å; V229-Y247 HydrophobicContact CG2-CD1 4.05Å; V229-Y247 HydrophobicContact CG2-CE1 4.1Å; T245-Y247 HydrophobicContact CG2-CE2 4.18Å
248I93.3Very high83.9Confident23 Ų2380 Ų8012%0.11841%0.405CS..EExtended strand (participates in β ladder)trans-131.8138.9-169.8-54.6171000108.9L228 F230 R246 Y262L228-I248 HydrophobicContact CD1-CB 3.69Å; L228-I248 HydrophobicContact CD1-CD1 3.88Å; L228-I248 HydrophobicContact CD1-CG1 4.1Å; L228-I248 HydrophobicContact CG-CB 3.92Å; L228-I248 PolarHBondContact N-O 3.15Å; L228-I248 PolarHBondContact O-N 3.28Å; F230-I248 HydrophobicContact CB-CD1 4.24Å; F230-I248 HydrophobicContact CD1-CD1 3.86Å; R246-I248 HydrophobicContact CB-CD1 4.26Å; R246-I248 HydrophobicContact CB-CG1 4.3Å; I248-Y262 HydrophobicContact CD1-CD1 3.84Å; I248-Y262 HydrophobicContact CD1-CE1 3.25Å; I248-Y262 HydrophobicContact CG1-CE1 4.17Å
249K91.9Very high85Confident113 Ų11371.8 Ų71.849%0.49137%0.367SS..EExtended strand (participates in β ladder)trans-119130.3168.6-166.8-177.3-171-150.40108.1E225 I226 E227E225-K249 VanDerWaalsContact OE1-CE 3.28Å; E225-K249 WeakPolarHBondContact OE1-CE 3.28Å; E225-K249 IonicContact OE1-NZ 2.75Å; E225-K249 PolarHBondContact OE1-NZ 2.95Å; E225-K249 WeakPolarHBondContact OE2-CE 2.95Å; E225-K249 IonicContact OE2-NZ 3.34Å; E225-K249 PolarHBondContact OE2-NZ 3.15Å; I226-K249 WeakPolarHBondContact O-CA 3.44Å; E227-K249 HydrophobicContact CG-CG 4.17Å
250T91.5Very high86.3Confident43 Ų4361.6 Ų61.626%0.26432%0.323SS..EExtended strand (participates in β ladder)trans-152.4169.7-177.4-1750000111.1E225 I226 L228 A254 L311E225-T250 CarbonylContact C-O 3.52Å; E225-T250 WeakPolarHBondContact CA-O 3.48Å; I226-T250 PolarHBondContact N-O 2.9Å; I226-T250 PolarHBondContact O-N 3.04Å; L228-T250 HydrophobicContact CD2-CG2 4.22Å; T250-A254 HydrophobicContact CG2-CB 4.45Å; T250-L311 HydrophobicContact CG2-CD1 3.42Å; T250-L311 VanDerWaalsContact CG2-CD1 3.42Å
251S89.9Confident87.6Confident40 Ų4061.8 Ų61.828%0.2832%0.319SS..EExtended strand (participates in β ladder)trans-62.8140169.4165.30000111.6A223 S224 N253 A254A223-S251 WeakPolarHBondContact CB-OG 3.46Å; S224-S251 CarbonylContact O-C 3.6Å; S224-S251 WeakPolarHBondContact O-CA 3.38Å; S251-N253 PolarHBondContact O-N 3.17Å; S251-N253 WeakPolarHBondContact OG-CB 3.45Å; S251-N253 PolarHBondContact OG-N 3.22Å; S251-N253 VanDerWaalsContact OG-N 3.13Å; S251-A254 WeakPolarHBondContact O-CB 3.4Å; S251-A254 PolarHBondContact O-N 2.87Å
252G88.2Confident89.4Confident0 Ų057.2 Ų57.20%029%0.29CS..THydrogen-bonded Turntrans-68.7-17.6174.200000113.2S224 I226 A254 S310 L311 E312S224-G252 PolarHBondContact O-N 3.36Å; I226-G252 VanDerWaalsContact CD1-CA 3.49Å; G252-A254 VanDerWaalsContact C-N 3.28Å; G252-S310 WeakPolarHBondContact O-CB 3.36Å; G252-L311 PolarHBondContact O-N 3.24Å; G252-E312 PolarHBondContact O-N 3.44Å
253N89.1Confident90.8Very high88 Ų8853.3 Ų53.347%0.47126%0.262SS..THydrogen-bonded Turntrans-78.2-14.2171.3-61.1-1.9000112.1S251S251-N253 PolarHBondContact O-N 3.17Å; S251-N253 WeakPolarHBondContact OG-CB 3.45Å; S251-N253 PolarHBondContact OG-N 3.22Å; S251-N253 VanDerWaalsContact OG-N 3.13Å
254A92.8Very high91.7Very high15 Ų1552.2 Ų52.212%0.12425%0.253CS..  trans-58.9147.3171.100000109.4T250 S251 G252 H258 S310 L311T250-A254 HydrophobicContact CG2-CB 4.45Å; S251-A254 WeakPolarHBondContact O-CB 3.4Å; S251-A254 PolarHBondContact O-N 2.87Å; G252-A254 VanDerWaalsContact C-N 3.28Å; A254-H258 HydrophobicContact CB-CB 4.45Å; A254-S310 CarbonylContact O-C 3.57Å; A254-S310 VanDerWaalsContact O-CA 3.31Å; A254-S310 WeakPolarHBondContact O-CA 3.33Å; A254-L311 HydrophobicContact CB-CD1 4.1Å; A254-L311 HydrophobicContact CB-CG 4.45Å; A254-L311 WeakPolarHBondContact O-CG 3.47Å; A254-L311 PolarHBondContact O-N 2.97Å
255T95.1Very high92.1Very high28 Ų2848.8 Ų48.817%0.17224%0.24CC..BIsolated β-bridgetrans-101.7167.3179.273.80000111.6D257 H258 L259 G307 F309T255-D257 PolarHBondContact O-N 3.32Å; T255-D257 PolarHBondContact OG1-N 3.36Å; T255-H258 PolarHBondContact N-ND1 3.33Å; T255-H258 WeakPolarHBondContact O-CB 2.93Å; T255-H258 PolarHBondContact O-N 3.34Å; T255-H258 PolarHBondContact OG1-N 2.99Å; T255-H258 PolarHBondContact OG1-ND1 3.48Å; T255-L259 PolarHBondContact O-N 3.04Å; T255-G307 WeakPolarHBondContact CB-O 3.36Å; T255-G307 PolarHBondContact OG1-O 3.35Å; T255-F309 CarbonylContact C-O 3.5Å; T255-F309 WeakPolarHBondContact CA-O 3.28Å; T255-F309 WeakPolarHBondContact CB-O 3.44Å
256V95Very high92Very high3 Ų350.2 Ų50.22%0.01824%0.239CC..Hα-helixtrans-59.1-36.3173.6175.70000111.4H258 L259 S260 I293 L305 N306 G307 F309 V314V256-H258 VanDerWaalsContact C-N 3.3Å; V256-H258 PolarHBondContact O-N 3.33Å; V256-L259 WeakPolarHBondContact O-CB 3.33Å; V256-L259 PolarHBondContact O-N 3.33Å; V256-L259 VanDerWaalsContact O-N 3.1Å; V256-S260 PolarHBondContact O-N 3.23Å; V256-I293 HydrophobicContact CG1-CB 3.61Å; V256-I293 HydrophobicContact CG1-CG1 3.65Å; V256-I293 HydrophobicContact CG1-CG2 4.19Å; V256-L305 HydrophobicContact CG1-CB 4.02Å; V256-L305 HydrophobicContact CG2-CB 3.94Å; V256-L305 HydrophobicContact CG2-CD1 4.12Å; V256-N306 WeakPolarHBondContact CB-O 3.42Å; V256-G307 PolarHBondContact N-O 2.81Å; V256-F309 HydrophobicContact CG2-CB 4.39Å; V256-F309 PolarHBondContact N-O 3.47Å; V256-V314 HydrophobicContact CG2-CG2 3.98Å
257D94.5Very high91.8Very high64 Ų6451.3 Ų51.334%0.34225%0.247SC..Hα-helixtrans-61.3-37.8173.5-74.3-29.1000112.4T255 L259 S260 K261 E288 G307T255-D257 PolarHBondContact O-N 3.32Å; T255-D257 PolarHBondContact OG1-N 3.36Å; D257-L259 VanDerWaalsContact C-N 3.31Å; D257-L259 PolarHBondContact O-N 3.45Å; D257-S260 PolarHBondContact O-N 3.31Å; D257-K261 WeakPolarHBondContact O-CB 3.39Å; D257-K261 PolarHBondContact O-N 2.83Å; D257-E288 HydrophobicContact CB-CB 3.86Å; D257-E288 HydrophobicContact CB-CG 4.2Å; D257-E288 WeakPolarHBondContact O-CB 3.38Å; D257-G307 VanDerWaalsContact CG-C 3.44Å; D257-G307 PolarHBondContact N-O 3.09Å; D257-G307 WeakPolarHBondContact OD1-CA 3.43Å; D257-G307 WeakPolarHBondContact OD2-CA 3.38Å
258H94.5Very high91.4Very high115 Ų11542.9 Ų42.953%0.53222%0.215SC..Hα-helixtrans-62.8-39.1174.2-65.698000111.5A254 T255 V256 Y262A254-H258 HydrophobicContact CB-CB 4.45Å; T255-H258 PolarHBondContact N-ND1 3.33Å; T255-H258 WeakPolarHBondContact O-CB 2.93Å; T255-H258 PolarHBondContact O-N 3.34Å; T255-H258 PolarHBondContact OG1-N 2.99Å; T255-H258 PolarHBondContact OG1-ND1 3.48Å; V256-H258 VanDerWaalsContact C-N 3.3Å; V256-H258 PolarHBondContact O-N 3.33Å; H258-Y262 WeakPolarHBondContact O-CB 3.43Å; H258-Y262 PolarHBondContact O-N 3.44Å
259L93.8Very high90.9Very high6 Ų644.6 Ų44.63%0.03122%0.224CC..Hα-helixtrans-67.7-40.8175.6-69-174.7000112.6L228 F230 T255 V256 D257 Y262 L263 L311 L327L228-L259 HydrophobicContact CD2-CD1 3.89Å; L228-L259 HydrophobicContact CD2-CD2 3.91Å; F230-L259 HydrophobicContact CE1-CB 4.36Å; F230-L259 HydrophobicContact CZ-CB 4.37Å; T255-L259 PolarHBondContact O-N 3.04Å; V256-L259 WeakPolarHBondContact O-CB 3.33Å; V256-L259 PolarHBondContact O-N 3.33Å; V256-L259 VanDerWaalsContact O-N 3.1Å; D257-L259 VanDerWaalsContact C-N 3.31Å; D257-L259 PolarHBondContact O-N 3.45Å; L259-Y262 WeakPolarHBondContact O-CB 3.26Å; L259-Y262 PolarHBondContact O-N 3.37Å; L259-L263 WeakPolarHBondContact O-CB 3.21Å; L259-L263 PolarHBondContact O-N 3.13Å; L259-L311 HydrophobicContact CD1-CD1 4.02Å; L259-L311 HydrophobicContact CD1-CD2 3.42Å; L259-L311 VanDerWaalsContact CD1-CD2 3.42Å; L259-L311 HydrophobicContact CD1-CG 4.33Å; L259-L311 HydrophobicContact CD2-CD1 4.21Å; L259-L311 HydrophobicContact CG-CD1 4.18Å; L259-L311 HydrophobicContact CG-CD2 4.08Å; L259-L327 HydrophobicContact CD1-CD1 3.43Å; L259-L327 VanDerWaalsContact CD1-CD1 3.43Å
260S93Very high90.6Very high2 Ų242.2 Ų42.21%0.01422%0.215CC..Hα-helixtrans-61.9-48.8175.9179.20000111.2V256 D257 Y262 L263 A264 E288 Y291V256-S260 PolarHBondContact O-N 3.23Å; D257-S260 PolarHBondContact O-N 3.31Å; S260-Y262 PolarHBondContact O-N 2.97Å; S260-L263 WeakPolarHBondContact O-CB 3.32Å; S260-L263 PolarHBondContact O-N 2.9Å; S260-A264 PolarHBondContact O-N 3.35Å; S260-E288 WeakPolarHBondContact CB-O 3.43Å; S260-E288 VanDerWaalsContact OG-C 3.28Å; S260-E288 WeakPolarHBondContact OG-CA 3.3Å; S260-E288 PolarHBondContact OG-O 2.95Å; S260-Y291 PolarHBondContact OG-N 3.43Å; S260-Y291 PolarHBondContact OG-O 2.98Å
261K92.2Very high90Very high102 Ų10244 Ų4444%0.44322%0.22SC..Hα-helixtrans-62-41.9175.8-172.7172.5-176.1171.30112.1D257 L263 A264 V265 E288D257-K261 WeakPolarHBondContact O-CB 3.39Å; D257-K261 PolarHBondContact O-N 2.83Å; K261-L263 VanDerWaalsContact C-N 3.3Å; K261-L263 PolarHBondContact O-N 2.93Å; K261-A264 PolarHBondContact O-N 3.42Å; K261-V265 HydrophobicContact CG-CG2 4.45Å; K261-V265 WeakPolarHBondContact O-CG2 3.31Å; K261-V265 PolarHBondContact O-N 2.77Å; K261-E288 HydrophobicContact CB-CB 4.29Å
262Y93.2Very high89.5Confident70 Ų7044.7 Ų44.728%0.27522%0.22SC..Hα-helixtrans-55.9-45.8174.3164.3-92.6000111.5I248 H258 L259 S260 V265 R266I248-Y262 HydrophobicContact CD1-CD1 3.84Å; I248-Y262 HydrophobicContact CD1-CE1 3.25Å; I248-Y262 HydrophobicContact CG1-CE1 4.17Å; H258-Y262 WeakPolarHBondContact O-CB 3.43Å; H258-Y262 PolarHBondContact O-N 3.44Å; L259-Y262 WeakPolarHBondContact O-CB 3.26Å; L259-Y262 PolarHBondContact O-N 3.37Å; S260-Y262 PolarHBondContact O-N 2.97Å; Y262-V265 PolarHBondContact O-N 2.94Å; Y262-R266 HydrophobicContact CE1-CB 4.38Å; Y262-R266 WeakPolarHBondContact O-CB 3.5Å; Y262-R266 PolarHBondContact O-N 2.89Å; Y262-R266 PolarHBondContact OH-NE 3.17Å; Y262-R266 VanDerWaalsContact OH-NE 3.16Å
263L91.2Very high89.2Confident0 Ų054.6 Ų54.60%026%0.258CS..Hα-helixtrans-64-44.8-179.2-179.164.3000111.5F230 L259 S260 K261 R266 L267 Y291 Y329F230-L263 HydrophobicContact CE1-CB 4.12Å; F230-L263 HydrophobicContact CE1-CD2 4.22Å; F230-L263 HydrophobicContact CZ-CD2 4.32Å; L259-L263 WeakPolarHBondContact O-CB 3.21Å; L259-L263 PolarHBondContact O-N 3.13Å; S260-L263 WeakPolarHBondContact O-CB 3.32Å; S260-L263 PolarHBondContact O-N 2.9Å; K261-L263 VanDerWaalsContact C-N 3.3Å; K261-L263 PolarHBondContact O-N 2.93Å; L263-R266 PolarHBondContact O-N 2.87Å; L263-L267 HydrophobicContact CD1-CD1 3.96Å; L263-L267 HydrophobicContact CD1-CG 4.28Å; L263-L267 HydrophobicContact CG-CD1 3.98Å; L263-L267 WeakPolarHBondContact O-CB 3.32Å; L263-L267 WeakPolarHBondContact O-CG 3.39Å; L263-L267 PolarHBondContact O-N 2.93Å; L263-Y291 HydrophobicContact CB-CD2 4.36Å; L263-Y291 HydrophobicContact CD2-CD1 3.58Å; L263-Y291 HydrophobicContact CD2-CD2 3.93Å; L263-Y291 HydrophobicContact CD2-CE1 4.05Å; L263-Y291 HydrophobicContact CD2-CE2 4.38Å; L263-Y291 HydrophobicContact CD2-CG 3.53Å; L263-Y291 HydrophobicContact CG-CD1 4.43Å; L263-Y291 HydrophobicContact CG-CD2 4.1Å; L263-Y291 HydrophobicContact CG-CE2 4.26Å; L263-Y291 HydrophobicContact CG-CG 4.22Å; L263-Y329 HydrophobicContact CD1-CD1 4.46Å; L263-Y329 HydrophobicContact CD1-CE1 4.22Å; L263-Y329 HydrophobicContact CD1-CE2 4.28Å; L263-Y329 HydrophobicContact CD2-CD1 3.82Å; L263-Y329 HydrophobicContact CD2-CD2 3.35Å; L263-Y329 HydrophobicContact CD2-CE1 4.32Å; L263-Y329 HydrophobicContact CD2-CE2 3.88Å; L263-Y329 HydrophobicContact CD2-CG 3.3Å; L263-Y329 HydrophobicContact CG-CD2 4.5Å
264A90Very high88.5Confident6 Ų654.8 Ų54.85%0.0527%0.266CS..Hα-helixtrans-57.2-51.617500000112.5S260 K261 R266 L267 A268 A286 Q290 Y291S260-A264 PolarHBondContact O-N 3.35Å; K261-A264 PolarHBondContact O-N 3.42Å; A264-R266 VanDerWaalsContact C-N 3.33Å; A264-R266 PolarHBondContact O-N 2.97Å; A264-L267 PolarHBondContact O-N 3.34Å; A264-A268 WeakPolarHBondContact O-CB 3.18Å; A264-A268 PolarHBondContact O-N 2.96Å; A264-A286 HydrophobicContact CB-CB 3.98Å; A264-Q290 HydrophobicContact CB-CB 4.5Å; A264-Y291 HydrophobicContact CB-CD2 4.23Å; A264-Y291 HydrophobicContact CB-CE2 4.11Å
265V89.2Confident87.3Confident47 Ų4760.1 Ų60.129%0.28529%0.286SS..Hα-helixtrans-61.4-43178172.50000110.8K261 Y262 A268 L269 L283 A286K261-V265 HydrophobicContact CG-CG2 4.45Å; K261-V265 WeakPolarHBondContact O-CG2 3.31Å; K261-V265 PolarHBondContact O-N 2.77Å; Y262-V265 PolarHBondContact O-N 2.94Å; V265-A268 PolarHBondContact O-N 2.87Å; V265-L269 HydrophobicContact CG1-CD1 3.97Å; V265-L269 HydrophobicContact CG1-CG 4.45Å; V265-L269 VanDerWaalsContact O-CG 3.29Å; V265-L269 WeakPolarHBondContact O-CG 3.4Å; V265-L269 PolarHBondContact O-N 3.49Å; V265-L283 HydrophobicContact CG1-CD1 4.22Å; V265-A286 HydrophobicContact CB-CB 4.49Å; V265-A286 HydrophobicContact CG2-CB 3.61Å
266R89.1Confident85.5Confident85 Ų8562.3 Ų62.332%0.32132%0.315SS..Hα-helixtrans-64.3-44-178.1-178.462.769.9-167.55111.9R246 Y262 L263 A264 L269 E270R246-R266 VanDerWaalsContact NH1-CG 3.35Å; Y262-R266 HydrophobicContact CE1-CB 4.38Å; Y262-R266 WeakPolarHBondContact O-CB 3.5Å; Y262-R266 PolarHBondContact O-N 2.89Å; Y262-R266 PolarHBondContact OH-NE 3.17Å; Y262-R266 VanDerWaalsContact OH-NE 3.16Å; L263-R266 PolarHBondContact O-N 2.87Å; A264-R266 VanDerWaalsContact C-N 3.33Å; A264-R266 PolarHBondContact O-N 2.97Å; R266-L269 PolarHBondContact O-N 2.86Å; R266-E270 WeakPolarHBondContact O-CG 3.41Å; R266-E270 PolarHBondContact O-N 2.88Å
267L86.3Confident83.7Confident44 Ų4468.8 Ų68.823%0.2335%0.345CS..Hα-helixtrans-66.3-41.7177.7-74.6168.4000111.7L263 A264 L269 E270 E271 Y291L263-L267 HydrophobicContact CD1-CD1 3.96Å; L263-L267 HydrophobicContact CD1-CG 4.28Å; L263-L267 HydrophobicContact CG-CD1 3.98Å; L263-L267 WeakPolarHBondContact O-CB 3.32Å; L263-L267 WeakPolarHBondContact O-CG 3.39Å; L263-L267 PolarHBondContact O-N 2.93Å; A264-L267 PolarHBondContact O-N 3.34Å; L267-L269 VanDerWaalsContact C-N 3.31Å; L267-L269 PolarHBondContact O-N 3.18Å; L267-E270 PolarHBondContact O-N 3.09Å; L267-E271 PolarHBondContact O-N 3.18Å; L267-Y291 HydrophobicContact CD1-CE1 4.16Å; L267-Y291 HydrophobicContact CD1-CE2 4.1Å; L267-Y291 WeakPolarHBondContact CD1-OH 3.44Å
268A85Confident81.5Confident7 Ų771.2 Ų71.26%0.05837%0.367CS..Hα-helixtrans-60.1-40.9174.400000112A264 V265 E271 L272 L283A264-A268 WeakPolarHBondContact O-CB 3.18Å; A264-A268 PolarHBondContact O-N 2.96Å; V265-A268 PolarHBondContact O-N 2.87Å; A268-E271 PolarHBondContact O-N 3.09Å; A268-L272 VanDerWaalsContact O-CG 3.3Å; A268-L272 WeakPolarHBondContact O-CG 3.39Å; A268-L272 PolarHBondContact O-N 2.78Å; A268-L283 HydrophobicContact CB-CD1 4.05Å
269L84.1Confident79.5Confident59 Ų5970.7 Ų70.731%0.30937%0.368SS..Hα-helixtrans-67.3-35.4175.3-71.6171.8000113.3V265 R266 L267 L272 R273 L283V265-L269 HydrophobicContact CG1-CD1 3.97Å; V265-L269 HydrophobicContact CG1-CG 4.45Å; V265-L269 VanDerWaalsContact O-CG 3.29Å; V265-L269 WeakPolarHBondContact O-CG 3.4Å; V265-L269 PolarHBondContact O-N 3.49Å; R266-L269 PolarHBondContact O-N 2.86Å; L267-L269 VanDerWaalsContact C-N 3.31Å; L267-L269 PolarHBondContact O-N 3.18Å; L269-L272 HydrophobicContact CD2-CD1 4.43Å; L269-R273 WeakPolarHBondContact O-CG 3.24Å; L269-R273 PolarHBondContact O-N 2.97Å; L269-L283 HydrophobicContact CD2-CD1 3.82Å; L269-L283 HydrophobicContact CG-CD1 3.85Å
270E84.5Confident77.5Confident63 Ų6378.1 Ų78.129%0.29440%0.403SS..Hα-helixtrans-69.5-39.6175.9-76.5168.6-175.300111.6R246 R266 L267 R273 S274R246-E270 IonicContact CZ-OE1 3.49Å; R246-E270 IonicContact CZ-OE2 3.57Å; R246-E270 IonicContact NH1-OE1 2.69Å; R246-E270 PolarHBondContact NH1-OE1 3.22Å; R246-E270 IonicContact NH1-OE2 3.53Å; R246-E270 IonicContact NH2-OE1 2.66Å; R246-E270 PolarHBondContact NH2-OE1 2.81Å; R246-E270 IonicContact NH2-OE2 3.74Å; R246-E270 PolarHBondContact NH2-OE2 3.05Å; R266-E270 WeakPolarHBondContact O-CG 3.41Å; R266-E270 PolarHBondContact O-N 2.88Å; L267-E270 PolarHBondContact O-N 3.09Å; E270-R273 PolarHBondContact O-N 3.13Å; E270-S274 PolarHBondContact O-N 3.39Å; E270-S274 PolarHBondContact O-OG 2.98Å
271E80.2Confident75.4Confident79 Ų7985.6 Ų85.637%0.36944%0.439SS..Hα-helixtrans-65.4-40.5175.2-170.3171.2-158.400112L267 A268 R273 S274 K275L267-E271 PolarHBondContact O-N 3.18Å; A268-E271 PolarHBondContact O-N 3.09Å; E271-R273 VanDerWaalsContact C-N 3.27Å; E271-R273 PolarHBondContact O-N 3.42Å; E271-S274 PolarHBondContact O-N 3.08Å; E271-S274 PolarHBondContact O-OG 3.43Å; E271-K275 HydrophobicContact CG-CD 4.04Å; E271-K275 PolarHBondContact O-N 3.24Å; E271-K275 IonicContact OE1-NZ 2.75Å; E271-K275 PolarHBondContact OE1-NZ 3.15Å
272L79.4Confident73.8Confident55 Ų5583.7 Ų83.729%0.28843%0.434SS..Hα-helixtrans-60.2-37.5173.2-76.1168.8000112.3A268 L269 G276A268-L272 VanDerWaalsContact O-CG 3.3Å; A268-L272 WeakPolarHBondContact O-CG 3.39Å; A268-L272 PolarHBondContact O-N 2.78Å; L269-L272 HydrophobicContact CD2-CD1 4.43Å; L272-G276 PolarHBondContact O-N 2.95Å
273R80.7Confident72.6Confident209 Ų20983.6 Ų83.679%0.78944%0.437SS*.Hα-helixtrans-74.8-32.9178.2-73.6174.9178.6-165.4-1.5112.9L269 E270 E271L269-R273 WeakPolarHBondContact O-CG 3.24Å; L269-R273 PolarHBondContact O-N 2.97Å; E270-R273 PolarHBondContact O-N 3.13Å; E271-R273 VanDerWaalsContact C-N 3.27Å; E271-R273 PolarHBondContact O-N 3.42Å
274S75Confident71.6Confident91 Ų9190.6 Ų90.664%0.63648%0.475SS*.Hα-helixtrans-82.2-36.6-177.167.10000113.1E270 E271E270-S274 PolarHBondContact O-N 3.39Å; E270-S274 PolarHBondContact O-OG 2.98Å; E271-S274 PolarHBondContact O-N 3.08Å; E271-S274 PolarHBondContact O-OG 3.43Å
275K66.8Low70.9Confident127 Ų12794.6 Ų94.655%0.55250%0.499SS*.Hα-helixtrans-96.4-7.3-174.6-68.7-178.6-178.2169.20114.7E271 E277E271-K275 HydrophobicContact CG-CD 4.04Å; E271-K275 PolarHBondContact O-N 3.24Å; E271-K275 IonicContact OE1-NZ 2.75Å; E271-K275 PolarHBondContact OE1-NZ 3.15Å; K275-E277 WeakPolarHBondContact O-CG 3.43Å; K275-E277 PolarHBondContact O-N 2.92Å
276G58.4Low70.3Confident75 Ų7592.9 Ų92.977%0.77349%0.49SS*.  trans60.38.117400000115.3L272L272-G276 PolarHBondContact O-N 2.95Å
277E56.7Low70.1Confident138 Ų13890.3 Ų90.365%0.64549%0.485SS*.  trans-111133.4-173.7-76.6173.5174.200110.5K275 N279K275-E277 WeakPolarHBondContact O-CG 3.43Å; K275-E277 PolarHBondContact O-N 2.92Å; E277-N279 VanDerWaalsContact C-N 3.26Å; E277-N279 PolarHBondContact O-N 3.36Å
278S48.9Very low69.9Low115 Ų11591.5 Ų91.580%0.80449%0.489SS*.  trans-73.957.3-169.255.20000114.4Q280S278-Q280 VanDerWaalsContact C-N 3.3Å; S278-Q280 PolarHBondContact O-N 3.49Å; S278-Q280 VanDerWaalsContact O-N 3.13Å
279N50.8Low69.8Low104 Ų10497.7 Ų97.756%0.55652%0.515SS*.  trans-86.271.1171.1-81.5-19.4000111.1E277 M281 N282E277-N279 VanDerWaalsContact C-N 3.26Å; E277-N279 PolarHBondContact O-N 3.36Å; N279-M281 PolarHBondContact O-N 3.26Å; N279-M281 VanDerWaalsContact O-N 3.07Å; N279-N282 PolarHBondContact O-N 3.48Å
280Q52.1Low69.9Low163 Ų16398.4 Ų98.476%0.76252%0.517SS*.G310 helixtrans-51.6-26.9167.3-83.7178.3-12.800112.2S278 N282 L283S278-Q280 VanDerWaalsContact C-N 3.3Å; S278-Q280 PolarHBondContact O-N 3.49Å; S278-Q280 VanDerWaalsContact O-N 3.13Å; Q280-N282 VanDerWaalsContact C-N 3.26Å; Q280-N282 PolarHBondContact O-N 2.96Å; Q280-N282 VanDerWaalsContact O-N 3.13Å; Q280-L283 PolarHBondContact O-N 2.59Å
281M49.6Very low70.2Confident158 Ų15897.6 Ų97.678%0.77851%0.511SS*.G310 helixtrans-54.6-29.7-177.8-70.2-97.9-179.300115.3N279 T285N279-M281 PolarHBondContact O-N 3.26Å; N279-M281 VanDerWaalsContact O-N 3.07Å; M281-T285 PolarHBondContact O-OG1 2.96Å
282N59.2Low70.8Confident63 Ų6395.2 Ų95.234%0.33750%0.502SS..G310 helixtrans-84.9-20.2-173.7-153.5-2.4000113.2N279 Q280 T285N279-N282 PolarHBondContact O-N 3.48Å; Q280-N282 VanDerWaalsContact C-N 3.26Å; Q280-N282 PolarHBondContact O-N 2.96Å; Q280-N282 VanDerWaalsContact O-N 3.13Å; N282-T285 PolarHBondContact O-OG1 2.89Å
283L67.7Low71.5Confident67 Ų6792.8 Ų92.835%0.35149%0.489SS..THydrogen-bonded Turntrans-75.3-36.8-179.6-153.376.3000111.5V265 A268 L269 Q280 T285 A286V265-L283 HydrophobicContact CG1-CD1 4.22Å; A268-L283 HydrophobicContact CB-CD1 4.05Å; L269-L283 HydrophobicContact CD2-CD1 3.82Å; L269-L283 HydrophobicContact CG-CD1 3.85Å; Q280-L283 PolarHBondContact O-N 2.59Å; L283-T285 PolarHBondContact O-N 2.98Å; L283-A286 WeakPolarHBondContact O-CB 3.45Å; L283-A286 PolarHBondContact O-N 3.24Å
284D69.3Low72.3Confident148 Ų14884.3 Ų84.379%0.79146%0.458SS*.THydrogen-bonded Turntrans-71.5-21179.2-63.4-31.7000112.6
285T75.6Confident73.2Confident89 Ų8980 Ų8055%0.54643%0.427SS..THydrogen-bonded Turntrans-90.3-5.9177.512.90000113.5M281 N282 L283 S287M281-T285 PolarHBondContact O-OG1 2.96Å; N282-T285 PolarHBondContact O-OG1 2.89Å; L283-T285 PolarHBondContact O-N 2.98Å; T285-S287 PolarHBondContact O-N 3.43Å
286A77.3Confident74.4Confident12 Ų1275.2 Ų75.210%0.09941%0.412CS..  trans-66.5114.2-178.100000111.6A264 V265 L283A264-A286 HydrophobicContact CB-CB 3.98Å; V265-A286 HydrophobicContact CB-CB 4.49Å; V265-A286 HydrophobicContact CG2-CB 3.61Å; L283-A286 WeakPolarHBondContact O-CB 3.45Å; L283-A286 PolarHBondContact O-N 3.24Å
287S85.4Confident75.7Confident31 Ų3173.3 Ų73.322%0.21739%0.385CS..  trans-134.1153.2-175.8173.70000111.7T285 K289 Q290T285-S287 PolarHBondContact O-N 3.43Å; S287-K289 PolarHBondContact O-N 2.73Å; S287-K289 PolarHBondContact OG-N 3.04Å; S287-Q290 PolarHBondContact O-N 2.84Å; S287-Q290 VanDerWaalsContact O-N 3.16Å; S287-Q290 PolarHBondContact O-OE1 3.12Å
288E81.7Confident77Confident68 Ų6872.5 Ų72.532%0.31840%0.402SS..THydrogen-bonded Turntrans-53.3-17.8169.867.6-80.6-17100114.3D257 S260 K261D257-E288 HydrophobicContact CB-CB 3.86Å; D257-E288 HydrophobicContact CB-CG 4.2Å; D257-E288 WeakPolarHBondContact O-CB 3.38Å; S260-E288 WeakPolarHBondContact CB-O 3.43Å; S260-E288 VanDerWaalsContact OG-C 3.28Å; S260-E288 WeakPolarHBondContact OG-CA 3.3Å; S260-E288 PolarHBondContact OG-O 2.95Å; K261-E288 HydrophobicContact CB-CB 4.29Å
289K83.1Confident78.6Confident137 Ų13771 Ų7160%0.59639%0.392SS*.THydrogen-bonded Turntrans-79-17.2179.2-63.3-176.2-178.6179.40114S287 Y291 T332S287-K289 PolarHBondContact O-N 2.73Å; S287-K289 PolarHBondContact OG-N 3.04Å; K289-Y291 VanDerWaalsContact C-N 3.34Å; K289-Y291 PolarHBondContact O-N 3.23Å; K289-T332 WeakPolarHBondContact O-CB 3.38Å; K289-T332 PolarHBondContact O-OG1 2.95Å
290Q85Confident80.2Confident74 Ų7468.8 Ų68.835%0.34639%0.393SS..SBendtrans-73.4-26.6-172.5-70.1174.2-6400113.3A264 S287 P331 T332A264-Q290 HydrophobicContact CB-CB 4.5Å; S287-Q290 PolarHBondContact O-N 2.84Å; S287-Q290 VanDerWaalsContact O-N 3.16Å; S287-Q290 PolarHBondContact O-OE1 3.12Å; Q290-P331 WeakPolarHBondContact O-CA 3.43Å; Q290-T332 PolarHBondContact O-N 2.69Å; Q290-T332 PolarHBondContact O-OG1 3.5Å
291Y91.1Very high82Confident46 Ų4667.3 Ų67.318%0.1839%0.386CS..EExtended strand (participates in β ladder)trans-127.5135.3-178.2-65.7-84.2000111.9S260 L263 A264 L267 K289 Y329 A330 P331 T332S260-Y291 PolarHBondContact OG-N 3.43Å; S260-Y291 PolarHBondContact OG-O 2.98Å; L263-Y291 HydrophobicContact CB-CD2 4.36Å; L263-Y291 HydrophobicContact CD2-CD1 3.58Å; L263-Y291 HydrophobicContact CD2-CD2 3.93Å; L263-Y291 HydrophobicContact CD2-CE1 4.05Å; L263-Y291 HydrophobicContact CD2-CE2 4.38Å; L263-Y291 HydrophobicContact CD2-CG 3.53Å; L263-Y291 HydrophobicContact CG-CD1 4.43Å; L263-Y291 HydrophobicContact CG-CD2 4.1Å; L263-Y291 HydrophobicContact CG-CE2 4.26Å; L263-Y291 HydrophobicContact CG-CG 4.22Å; A264-Y291 HydrophobicContact CB-CD2 4.23Å; A264-Y291 HydrophobicContact CB-CE2 4.11Å; L267-Y291 HydrophobicContact CD1-CE1 4.16Å; L267-Y291 HydrophobicContact CD1-CE2 4.1Å; L267-Y291 WeakPolarHBondContact CD1-OH 3.44Å; K289-Y291 VanDerWaalsContact C-N 3.34Å; K289-Y291 PolarHBondContact O-N 3.23Å; Y291-Y329 HydrophobicContact CD1-CD2 4.17Å; Y291-Y329 HydrophobicContact CE1-CD2 4.42Å; Y291-A330 WeakPolarHBondContact CA-O 3.36Å; Y291-P331 HydrophobicContact CE1-CG 4.2Å; Y291-T332 VanDerWaalsContact C-OG1 3.24Å; Y291-T332 PolarHBondContact N-OG1 3.28Å
292T93.5Very high84Confident30 Ų3063.1 Ų63.118%0.18436%0.364CS..EExtended strand (participates in β ladder)trans-95.4132.2169.3-57.80000109Y294 V304 Y329 A330 T332T292-Y294 HydrophobicContact CG2-CD2 4.43Å; T292-Y294 HydrophobicContact CG2-CE1 4.26Å; T292-Y294 HydrophobicContact CG2-CE2 3.69Å; T292-Y294 WeakPolarHBondContact O-CD2 3.25Å; T292-Y294 WeakPolarHBondContact O-CE2 3.46Å; T292-V304 HydrophobicContact CG2-CG1 3.67Å; T292-V304 HydrophobicContact CG2-CG2 4.24Å; T292-Y329 WeakPolarHBondContact O-CA 3.48Å; T292-A330 PolarHBondContact N-O 3.18Å; T292-A330 PolarHBondContact O-N 3.42Å; T292-T332 PolarHBondContact N-OG1 2.96Å; T292-T332 PolarHBondContact OG1-OG1 2.88Å
293I94.6Very high85.6Confident3 Ų362.3 Ų62.32%0.01536%0.361CS..EExtended strand (participates in β ladder)trans-104.2135.7-176.3-48.2-44.2000110F230 V256 L305 L327 Y328F230-I293 HydrophobicContact CE2-CD1 4.01Å; F230-I293 HydrophobicContact CE2-CG2 3.99Å; F230-I293 HydrophobicContact CZ-CD1 3.53Å; F230-I293 HydrophobicContact CZ-CG1 4.32Å; F230-I293 HydrophobicContact CZ-CG2 4.34Å; V256-I293 HydrophobicContact CG1-CB 3.61Å; V256-I293 HydrophobicContact CG1-CG1 3.65Å; V256-I293 HydrophobicContact CG1-CG2 4.19Å; I293-L305 HydrophobicContact CG2-CD1 4.18Å; I293-L305 PolarHBondContact O-N 2.95Å; I293-L327 HydrophobicContact CG2-CB 4.37Å; I293-L327 HydrophobicContact CG2-CD1 4.31Å; I293-Y328 CarbonylContact C-O 3.55Å; I293-Y328 WeakPolarHBondContact CA-O 3.28Å
294Y95.5Very high86.9Confident32 Ų3263 Ų6313%0.12537%0.368CS..EExtended strand (participates in β ladder)trans-125.3153.2-176.1-54.1-102.3000110.9H233 L236 T292 F302 T303 V304 Y328 A330H233-Y294 AromaticContact CD2-CD2 3.81Å; H233-Y294 AromaticContact CD2-CG 3.81Å; L236-Y294 HydrophobicContact CD1-CE1 4.31Å; L236-Y294 HydrophobicContact CD1-CE2 4.29Å; T292-Y294 HydrophobicContact CG2-CD2 4.43Å; T292-Y294 HydrophobicContact CG2-CE1 4.26Å; T292-Y294 HydrophobicContact CG2-CE2 3.69Å; T292-Y294 WeakPolarHBondContact O-CD2 3.25Å; T292-Y294 WeakPolarHBondContact O-CE2 3.46Å; Y294-F302 HydrophobicContact CD1-CB 4.25Å; Y294-T303 CarbonylContact C-O 3.52Å; Y294-T303 VanDerWaalsContact CA-O 3.25Å; Y294-T303 WeakPolarHBondContact CA-O 3.39Å; Y294-V304 HydrophobicContact CD1-CG2 3.74Å; Y294-V304 HydrophobicContact CE1-CG2 3.38Å; Y294-Y328 PolarHBondContact N-O 2.99Å; Y294-Y328 PolarHBondContact O-N 3.25Å; Y294-A330 HydrophobicContact CE2-CB 3.85Å
295I94.6Very high88.1Confident0 Ų056.4 Ų56.40%033%0.332CS..EExtended strand (participates in β ladder)trans-125.8138.6168.4-169.2157.8000109.7F302 T303 L305 V314 Y318 W319 M325 L327I295-F302 WeakPolarHBondContact O-CA 3.48Å; I295-T303 PolarHBondContact N-O 3.24Å; I295-T303 PolarHBondContact O-N 3.07Å; I295-L305 HydrophobicContact CB-CD1 4.25Å; I295-L305 HydrophobicContact CB-CD2 4.36Å; I295-L305 HydrophobicContact CB-CG 4.38Å; I295-L305 HydrophobicContact CG2-CD1 4.45Å; I295-L305 HydrophobicContact CG2-CD2 3.66Å; I295-L305 HydrophobicContact CG2-CG 4.1Å; I295-V314 HydrophobicContact CD1-CG1 4.01Å; I295-Y318 HydrophobicContact CG2-CD1 4.26Å; I295-Y318 HydrophobicContact CG2-CG 4.12Å; I295-W319 HydrophobicContact CD1-CB 4.24Å; I295-W319 HydrophobicContact CD1-CE3 4.28Å; I295-M325 HydrophobicContact CD1-CG 4.24Å; I295-M325 HydrophobicContact CD1-SD 4.22Å; I295-L327 HydrophobicContact CB-CD2 4.06Å; I295-L327 HydrophobicContact CD1-CD2 3.96Å; I295-L327 HydrophobicContact CG1-CD2 4.17Å
296A92.3Very high88.9Confident27 Ų2756.1 Ų56.122%0.22333%0.328CS..EExtended strand (participates in β ladder)trans-77.4125.2173.500000109.3F302 Y328A296-F302 HydrophobicContact CB-CD1 4.44Å; A296-F302 HydrophobicContact CB-CE1 4.11Å; A296-F302 HydrophobicContact CB-CZ 4.47Å; A296-Y328 HydrophobicContact CB-CE2 3.98Å
297T86.5Confident89.6Confident34 Ų3456.2 Ų56.221%0.20933%0.33CS..  trans-86.6166.7174.963.10000110.8S299 G300 Q301 T303T297-S299 PolarHBondContact O-N 3.38Å; T297-S299 PolarHBondContact OG1-OG 3.47Å; T297-G300 PolarHBondContact O-N 3.26Å; T297-Q301 PolarHBondContact N-O 3.49Å; T297-Q301 PolarHBondContact OG1-N 3.45Å; T297-Q301 PolarHBondContact OG1-O 2.94Å; T297-Q301 VanDerWaalsContact OG1-O 3.07Å; T297-T303 WeakPolarHBondContact CG2-OG1 3.45Å
298A82.4Confident90Very high121 Ų12158.5 Ų58.5100%135%0.345SS*.THydrogen-bonded Turntrans-58.1-20.9176.300000114G300A298-G300 VanDerWaalsContact C-N 3.25Å; A298-G300 PolarHBondContact O-N 3.02Å
299S83.8Confident90.6Very high85 Ų8557.3 Ų57.359%0.59434%0.339SS*.THydrogen-bonded Turntrans-81.50.9174.157.80000113.8T297 Q301T297-S299 PolarHBondContact O-N 3.38Å; T297-S299 PolarHBondContact OG1-OG 3.47Å; S299-Q301 PolarHBondContact O-N 3.44Å; S299-Q301 PolarHBondContact OG-OE1 3.28Å
300G83.4Confident91.1Very high56 Ų5652.4 Ų52.458%0.57732%0.322SS*.SBendtrans76.26.3-174.900000114.1T297 A298T297-G300 PolarHBondContact O-N 3.26Å; A298-G300 VanDerWaalsContact C-N 3.25Å; A298-G300 PolarHBondContact O-N 3.02Å
301Q89.5Confident91.5Very high132 Ų13248.9 Ų48.962%0.61731%0.306SS*.PPolyproline II helixtrans-85.9147176.6-67.5177.7-32.400110.9T297 S299T297-Q301 PolarHBondContact N-O 3.49Å; T297-Q301 PolarHBondContact OG1-N 3.45Å; T297-Q301 PolarHBondContact OG1-O 2.94Å; T297-Q301 VanDerWaalsContact OG1-O 3.07Å; S299-Q301 PolarHBondContact O-N 3.44Å; S299-Q301 PolarHBondContact OG-OE1 3.28Å
302F92.5Very high91.4Very high71 Ų7149 Ų4931%0.31131%0.308SS..EExtended strand (participates in β ladder)trans-94.3116.1175.7-70.6-92.6000109.8H233 P234 Y294 I295 A296 Y328H233-F302 AromaticContact CD2-CD1 3.95Å; H233-F302 AromaticContact NE2-CD1 3.73Å; H233-F302 AromaticContact NE2-CD2 3.88Å; H233-F302 AromaticContact NE2-CG 3.42Å; H233-F302 WeakPolarHBondContact NE2-CG 3.39Å; P234-F302 HydrophobicContact CG-CE1 4.25Å; P234-F302 HydrophobicContact CG-CE2 3.92Å; P234-F302 HydrophobicContact CG-CZ 3.55Å; Y294-F302 HydrophobicContact CD1-CB 4.25Å; I295-F302 WeakPolarHBondContact O-CA 3.48Å; A296-F302 HydrophobicContact CB-CD1 4.44Å; A296-F302 HydrophobicContact CB-CE1 4.11Å; A296-F302 HydrophobicContact CB-CZ 4.47Å; F302-Y328 HydrophobicContact CD1-CD2 4.04Å; F302-Y328 HydrophobicContact CD1-CG 4.13Å; F302-Y328 AromaticContact CE1-CD1 3.82Å; F302-Y328 HydrophobicContact CE1-CD1 3.82Å; F302-Y328 AromaticContact CE1-CD2 3.56Å; F302-Y328 HydrophobicContact CE1-CD2 3.56Å; F302-Y328 AromaticContact CE1-CE1 3.99Å; F302-Y328 HydrophobicContact CE1-CE1 3.99Å; F302-Y328 AromaticContact CE1-CE2 3.77Å; F302-Y328 HydrophobicContact CE1-CE2 3.77Å; F302-Y328 AromaticContact CE1-CG 3.61Å; F302-Y328 HydrophobicContact CE1-CG 3.61Å; F302-Y328 AromaticContact CE1-CZ 3.98Å; F302-Y328 HydrophobicContact CZ-CE1 4.45Å
303T93.3Very high91.4Very high45 Ų4550.9 Ų50.928%0.27632%0.317SS..EExtended strand (participates in β ladder)trans-97.3129.5177.8-60.30000110Y294 I295 T297 Y318Y294-T303 CarbonylContact C-O 3.52Å; Y294-T303 VanDerWaalsContact CA-O 3.25Å; Y294-T303 WeakPolarHBondContact CA-O 3.39Å; I295-T303 PolarHBondContact N-O 3.24Å; I295-T303 PolarHBondContact O-N 3.07Å; T297-T303 WeakPolarHBondContact CG2-OG1 3.45Å; T303-Y318 HydrophobicContact CG2-CE1 4.09Å
304V94.7Very high91.3Very high82 Ų8250.8 Ų50.850%0.49732%0.316SS..EExtended strand (participates in β ladder)trans-68.8128.2172.3179.10000109.5T292 Y294T292-V304 HydrophobicContact CG2-CG1 3.67Å; T292-V304 HydrophobicContact CG2-CG2 4.24Å; Y294-V304 HydrophobicContact CD1-CG2 3.74Å; Y294-V304 HydrophobicContact CE1-CG2 3.38Å
305L94.5Very high91.1Very high9 Ų951 Ų515%0.04732%0.322CS..PPolyproline II helixtrans-87.6139.7175.9-65.6178.9000110.9V256 I293 I295 V314 Y318 L327V256-L305 HydrophobicContact CG1-CB 4.02Å; V256-L305 HydrophobicContact CG2-CB 3.94Å; V256-L305 HydrophobicContact CG2-CD1 4.12Å; I293-L305 HydrophobicContact CG2-CD1 4.18Å; I293-L305 PolarHBondContact O-N 2.95Å; I295-L305 HydrophobicContact CB-CD1 4.25Å; I295-L305 HydrophobicContact CB-CD2 4.36Å; I295-L305 HydrophobicContact CB-CG 4.38Å; I295-L305 HydrophobicContact CG2-CD1 4.45Å; I295-L305 HydrophobicContact CG2-CD2 3.66Å; I295-L305 HydrophobicContact CG2-CG 4.1Å; L305-V314 HydrophobicContact CD1-CG1 3.67Å; L305-V314 HydrophobicContact CD1-CG2 4.18Å; L305-V314 HydrophobicContact CD2-CG1 3.93Å; L305-V314 HydrophobicContact CD2-CG2 4.22Å; L305-V314 HydrophobicContact CG-CG1 4.48Å; L305-Y318 HydrophobicContact CD2-CD2 3.84Å; L305-Y318 HydrophobicContact CD2-CE2 3.9Å; L305-Y318 HydrophobicContact CD2-CG 4.3Å; L305-L327 HydrophobicContact CD1-CD2 3.76Å
306N92.5Very high90.8Very high84 Ų8455.7 Ų55.745%0.44934%0.344SS..PPolyproline II helixtrans-72131.8173.4-172.2-35.7000109.5V256 S308 F309V256-N306 WeakPolarHBondContact CB-O 3.42Å; N306-S308 PolarHBondContact O-N 3.26Å; N306-S308 VanDerWaalsContact O-N 3.12Å; N306-S308 PolarHBondContact OD1-N 3.35Å; N306-S308 VanDerWaalsContact OD1-N 3.08Å; N306-S308 PolarHBondContact OD1-OG 3Å; N306-F309 HydrophobicContact CB-CD1 3.94Å; N306-F309 HydrophobicContact CB-CD2 3.9Å; N306-F309 HydrophobicContact CB-CE1 3.84Å; N306-F309 HydrophobicContact CB-CE2 3.79Å; N306-F309 HydrophobicContact CB-CG 3.97Å; N306-F309 HydrophobicContact CB-CZ 3.76Å; N306-F309 WeakPolarHBondContact O-CB 3.33Å; N306-F309 PolarHBondContact O-N 3.38Å
307G91.8Very high90.7Very high14 Ų1459.5 Ų59.514%0.14436%0.356CS..THydrogen-bonded Turntrans-51-34.217900000114.8T255 V256 D257 F309T255-G307 WeakPolarHBondContact CB-O 3.36Å; T255-G307 PolarHBondContact OG1-O 3.35Å; V256-G307 PolarHBondContact N-O 2.81Å; D257-G307 VanDerWaalsContact CG-C 3.44Å; D257-G307 PolarHBondContact N-O 3.09Å; D257-G307 WeakPolarHBondContact OD1-CA 3.43Å; D257-G307 WeakPolarHBondContact OD2-CA 3.38Å; G307-F309 VanDerWaalsContact C-N 3.34Å; G307-F309 PolarHBondContact O-N 3.25Å
308S92.9Very high90.9Very high78 Ų7860.7 Ų60.755%0.54536%0.357SS..THydrogen-bonded Turntrans-78.2-10.5-178.660.40000115N306N306-S308 PolarHBondContact O-N 3.26Å; N306-S308 VanDerWaalsContact O-N 3.12Å; N306-S308 PolarHBondContact OD1-N 3.35Å; N306-S308 VanDerWaalsContact OD1-N 3.08Å; N306-S308 PolarHBondContact OD1-OG 3Å
309F94.8Very high91.2Very high43 Ų4356.9 Ų56.919%0.18932%0.317CS..  trans-73.9133.6-179.3-68.1-8.5000111.2T255 V256 N306 G307 L313 V314 Y318T255-F309 CarbonylContact C-O 3.5Å; T255-F309 WeakPolarHBondContact CA-O 3.28Å; T255-F309 WeakPolarHBondContact CB-O 3.44Å; V256-F309 HydrophobicContact CG2-CB 4.39Å; V256-F309 PolarHBondContact N-O 3.47Å; N306-F309 HydrophobicContact CB-CD1 3.94Å; N306-F309 HydrophobicContact CB-CD2 3.9Å; N306-F309 HydrophobicContact CB-CE1 3.84Å; N306-F309 HydrophobicContact CB-CE2 3.79Å; N306-F309 HydrophobicContact CB-CG 3.97Å; N306-F309 HydrophobicContact CB-CZ 3.76Å; N306-F309 WeakPolarHBondContact O-CB 3.33Å; N306-F309 PolarHBondContact O-N 3.38Å; G307-F309 VanDerWaalsContact C-N 3.34Å; G307-F309 PolarHBondContact O-N 3.25Å; F309-L313 HydrophobicContact CB-CD2 4.21Å; F309-L313 HydrophobicContact CD1-CD2 3.84Å; F309-L313 HydrophobicContact CE1-CD2 4.36Å; F309-L313 HydrophobicContact CG-CD2 3.97Å; F309-V314 HydrophobicContact CB-CG2 3.84Å; F309-Y318 HydrophobicContact CD2-CE2 4.2Å; F309-Y318 HydrophobicContact CE2-CE2 4.11Å
310S93.9Very high91.3Very high34 Ų3460.6 Ų60.624%0.23832%0.322CS..BIsolated β-bridgetrans-69.6150.5169.368.30000110.5G252 A254 E312 L313 V314G252-S310 WeakPolarHBondContact O-CB 3.36Å; A254-S310 CarbonylContact O-C 3.57Å; A254-S310 VanDerWaalsContact O-CA 3.31Å; A254-S310 WeakPolarHBondContact O-CA 3.33Å; S310-E312 PolarHBondContact O-N 2.93Å; S310-L313 WeakPolarHBondContact O-CB 3.46Å; S310-L313 PolarHBondContact O-N 3.24Å; S310-L313 VanDerWaalsContact O-N 3.1Å; S310-L313 WeakPolarHBondContact OG-CB 3.33Å; S310-L313 PolarHBondContact OG-N 3.36Å; S310-L313 VanDerWaalsContact OG-N 3.15Å; S310-V314 WeakPolarHBondContact O-CG2 3.34Å; S310-V314 PolarHBondContact O-N 2.97Å
311L93.6Very high91.4Very high0 Ų061.5 Ų61.50%032%0.316CS..Hα-helixtrans-63.3-29.7177.4-61.9-177.2000111.9I226 L228 T250 G252 A254 L259 V314 S315 M325I226-L311 VanDerWaalsContact CD1-C 3.41Å; I226-L311 HydrophobicContact CD1-CB 3.76Å; L228-L311 HydrophobicContact CD2-CD1 3.97Å; T250-L311 HydrophobicContact CG2-CD1 3.42Å; T250-L311 VanDerWaalsContact CG2-CD1 3.42Å; G252-L311 PolarHBondContact O-N 3.24Å; A254-L311 HydrophobicContact CB-CD1 4.1Å; A254-L311 HydrophobicContact CB-CG 4.45Å; A254-L311 WeakPolarHBondContact O-CG 3.47Å; A254-L311 PolarHBondContact O-N 2.97Å; L259-L311 HydrophobicContact CD1-CD1 4.02Å; L259-L311 HydrophobicContact CD1-CD2 3.42Å; L259-L311 VanDerWaalsContact CD1-CD2 3.42Å; L259-L311 HydrophobicContact CD1-CG 4.33Å; L259-L311 HydrophobicContact CD2-CD1 4.21Å; L259-L311 HydrophobicContact CG-CD1 4.18Å; L259-L311 HydrophobicContact CG-CD2 4.08Å; L311-V314 PolarHBondContact O-N 3.14Å; L311-S315 WeakPolarHBondContact O-CB 3.38Å; L311-S315 PolarHBondContact O-N 2.82Å; L311-M325 HydrophobicContact CB-CE 4.29Å; L311-M325 HydrophobicContact CD2-CE 4.19Å
312E89.7Confident91Very high48 Ų4859.5 Ų59.522%0.22431%0.31CS..Hα-helixtrans-62.4-47.5171.2-170.9165.1-129.500111.3S224 I226 G252 S310 V314 S315 E316S224-E312 PolarHBondContact OG-OE1 3.03Å; I226-E312 HydrophobicContact CD1-CB 4.33Å; G252-E312 PolarHBondContact O-N 3.44Å; S310-E312 PolarHBondContact O-N 2.93Å; E312-V314 VanDerWaalsContact C-N 3.33Å; E312-V314 PolarHBondContact O-N 3.43Å; E312-S315 PolarHBondContact O-N 2.91Å; E312-E316 WeakPolarHBondContact O-CG 3.48Å; E312-E316 PolarHBondContact O-N 2.83Å
313L92.2Very high90.7Very high71 Ų7163.4 Ų63.437%0.37233%0.327SS..Hα-helixtrans-62.7-39.8175.8179.264.6000111.9F309 S310 K317F309-L313 HydrophobicContact CB-CD2 4.21Å; F309-L313 HydrophobicContact CD1-CD2 3.84Å; F309-L313 HydrophobicContact CE1-CD2 4.36Å; F309-L313 HydrophobicContact CG-CD2 3.97Å; S310-L313 WeakPolarHBondContact O-CB 3.46Å; S310-L313 PolarHBondContact O-N 3.24Å; S310-L313 VanDerWaalsContact O-N 3.1Å; S310-L313 WeakPolarHBondContact OG-CB 3.33Å; S310-L313 PolarHBondContact OG-N 3.36Å; S310-L313 VanDerWaalsContact OG-N 3.15Å; L313-K317 WeakPolarHBondContact O-CB 3.49Å; L313-K317 PolarHBondContact O-N 3.3Å
314V92.8Very high90.5Very high0 Ų064 Ų640%033%0.331CS..Hα-helixtrans-63.7-45.3177.4176.10000110.8V256 I295 L305 F309 S310 L311 E312 E316 K317 Y318 W319 M325V256-V314 HydrophobicContact CG2-CG2 3.98Å; I295-V314 HydrophobicContact CD1-CG1 4.01Å; L305-V314 HydrophobicContact CD1-CG1 3.67Å; L305-V314 HydrophobicContact CD1-CG2 4.18Å; L305-V314 HydrophobicContact CD2-CG1 3.93Å; L305-V314 HydrophobicContact CD2-CG2 4.22Å; L305-V314 HydrophobicContact CG-CG1 4.48Å; F309-V314 HydrophobicContact CB-CG2 3.84Å; S310-V314 WeakPolarHBondContact O-CG2 3.34Å; S310-V314 PolarHBondContact O-N 2.97Å; L311-V314 PolarHBondContact O-N 3.14Å; E312-V314 VanDerWaalsContact C-N 3.33Å; E312-V314 PolarHBondContact O-N 3.43Å; V314-E316 PolarHBondContact O-N 3.13Å; V314-K317 PolarHBondContact O-N 3.37Å; V314-Y318 HydrophobicContact CG1-CD2 4.22Å; V314-Y318 WeakPolarHBondContact O-CB 3.48Å; V314-Y318 PolarHBondContact O-N 3.33Å; V314-W319 PolarHBondContact O-N 2.88Å; V314-M325 HydrophobicContact CB-SD 4.29Å; V314-M325 HydrophobicContact CG1-CE 4.32Å; V314-M325 HydrophobicContact CG1-SD 3.66Å
315S90.7Very high90.4Very high36 Ų3660.1 Ų60.125%0.25231%0.308SS..Iπ-helixtrans-59.1-47178.1-177.90000111.5L311 E312 W319 K320L311-S315 WeakPolarHBondContact O-CB 3.38Å; L311-S315 PolarHBondContact O-N 2.82Å; E312-S315 PolarHBondContact O-N 2.91Å; S315-W319 PolarHBondContact O-N 3.09Å; S315-K320 PolarHBondContact O-N 3.2Å
316E89Confident90.4Very high99 Ų9962.4 Ų62.446%0.46332%0.318SS..Iπ-helixtrans-68.9-39.8-179.8-69.2-173.2159.400113.2K133 E312 V314 K320K133-E316 IonicContact NZ-OE1 2.62Å; K133-E316 PolarHBondContact NZ-OE1 3.31Å; E312-E316 WeakPolarHBondContact O-CG 3.48Å; E312-E316 PolarHBondContact O-N 2.83Å; V314-E316 PolarHBondContact O-N 3.13Å; E316-K320 WeakPolarHBondContact O-CE 3.2Å; E316-K320 VanDerWaalsContact O-CG 3.27Å; E316-K320 WeakPolarHBondContact O-CG 3.38Å
317K90.2Very high90.6Very high107 Ų10758.4 Ų58.447%0.46530%0.297SS..Iπ-helixtrans-85.2-39.6-172.5-172.1175176.9-167.80113.4L313 V314 K320L313-K317 WeakPolarHBondContact O-CB 3.49Å; L313-K317 PolarHBondContact O-N 3.3Å; V314-K317 PolarHBondContact O-N 3.37Å; K317-K320 WeakPolarHBondContact O-CE 3.18Å
318Y90.9Very high90.7Very high60 Ų6059 Ų5924%0.23530%0.295CS..Iπ-helixtrans-114.4-39.4-169.1-61.8-81.5000113.5I295 T303 L305 F309 V314I295-Y318 HydrophobicContact CG2-CD1 4.26Å; I295-Y318 HydrophobicContact CG2-CG 4.12Å; T303-Y318 HydrophobicContact CG2-CE1 4.09Å; L305-Y318 HydrophobicContact CD2-CD2 3.84Å; L305-Y318 HydrophobicContact CD2-CE2 3.9Å; L305-Y318 HydrophobicContact CD2-CG 4.3Å; F309-Y318 HydrophobicContact CD2-CE2 4.2Å; F309-Y318 HydrophobicContact CE2-CE2 4.11Å; V314-Y318 HydrophobicContact CG1-CD2 4.22Å; V314-Y318 WeakPolarHBondContact O-CB 3.48Å; V314-Y318 PolarHBondContact O-N 3.33Å
319W89.5Confident90.8Very high41 Ų4155.4 Ų55.416%0.15527%0.269CS..Iπ-helixtrans-81.8-54.7-174.9-171-124.6000112.6I295 V314 S315 V321 K323 P324 M325 E326I295-W319 HydrophobicContact CD1-CB 4.24Å; I295-W319 HydrophobicContact CD1-CE3 4.28Å; V314-W319 PolarHBondContact O-N 2.88Å; S315-W319 PolarHBondContact O-N 3.09Å; W319-V321 PolarHBondContact NE1-O 2.9Å; W319-V321 WeakPolarHBondContact O-CG2 3.47Å; W319-V321 PolarHBondContact O-N 3.03Å; W319-K323 HydrophobicContact CZ2-CB 4.32Å; W319-K323 PolarHBondContact NE1-O 3.07Å; W319-P324 VanDerWaalsContact CZ2-O 3.28Å; W319-P324 WeakPolarHBondContact CZ2-O 3.42Å; W319-M325 HydrophobicContact CB-CG 4.18Å; W319-M325 HydrophobicContact CB-SD 4.22Å; W319-M325 HydrophobicContact CD2-CG 4.18Å; W319-M325 HydrophobicContact CG-CB 4.34Å; W319-M325 HydrophobicContact CG-CG 3.99Å; W319-E326 HydrophobicContact CH2-CB 3.71Å; W319-E326 HydrophobicContact CH2-CG 3.58Å; W319-E326 HydrophobicContact CZ2-CG 4.15Å; W319-E326 HydrophobicContact CZ3-CB 3.93Å; W319-E326 HydrophobicContact CZ3-CG 4.33Å
320K85.1Confident90.6Very high163 Ų16353.5 Ų53.571%0.70926%0.261SS*.  trans53.622.1175.9-60.2-179.9179.2174.90115.3S315 E316 K317S315-K320 PolarHBondContact O-N 3.2Å; E316-K320 WeakPolarHBondContact O-CE 3.2Å; E316-K320 VanDerWaalsContact O-CG 3.27Å; E316-K320 WeakPolarHBondContact O-CG 3.38Å; K317-K320 WeakPolarHBondContact O-CE 3.18Å
321V84.3Confident90.5Very high75 Ų7555.1 Ų55.146%0.45527%0.271SS..SBendtrans-127.8139.9-178.6176.60000109.4W319 K323W319-V321 PolarHBondContact NE1-O 2.9Å; W319-V321 WeakPolarHBondContact O-CG2 3.47Å; W319-V321 PolarHBondContact O-N 3.03Å; V321-K323 HydrophobicContact CG1-CB 3.93Å; V321-K323 HydrophobicContact CG1-CD 4.04Å; V321-K323 HydrophobicContact CG1-CG 3.81Å; V321-K323 PolarHBondContact O-N 2.95Å
322N81.4Confident90.1Very high90 Ų9057.5 Ų57.548%0.48129%0.285SS..SBendtrans-8359176.6-161.817.2000111.7
323K86.4Confident89.4Confident153 Ų15363.5 Ų63.567%0.66531%0.311SS*.SBendtrans-138.8159.2176.3-71.5-175.6-179.8-177.40108.8W319 V321 M325W319-K323 HydrophobicContact CZ2-CB 4.32Å; W319-K323 PolarHBondContact NE1-O 3.07Å; V321-K323 HydrophobicContact CG1-CB 3.93Å; V321-K323 HydrophobicContact CG1-CD 4.04Å; V321-K323 HydrophobicContact CG1-CG 3.81Å; V321-K323 PolarHBondContact O-N 2.95Å; K323-M325 PolarHBondContact O-N 3.04Å
324P90.5Very high87.7Confident56 Ų5667.2 Ų67.236%0.36433%0.326SS..  trans-49.5129.8172-28.336.1000111.1E227 V229 W319 E326E227-P324 HydrophobicContact CB-CB 4.22Å; E227-P324 HydrophobicContact CB-CG 4.4Å; E227-P324 CarbonylContact O-C 3.58Å; E227-P324 WeakPolarHBondContact O-CA 3.44Å; V229-P324 HydrophobicContact CG2-CB 4.04Å; W319-P324 VanDerWaalsContact CZ2-O 3.28Å; W319-P324 WeakPolarHBondContact CZ2-O 3.42Å; P324-E326 PolarHBondContact O-N 2.7Å
325M92.7Very high85Confident2 Ų276.4 Ų76.41%0.0137%0.369CS..EExtended strand (participates in β ladder)trans-70123.8-172.7-176.5168.155.600110.3I226 E227 L228 V229 I295 L311 V314 W319 K323 L327I226-M325 HydrophobicContact CG2-CE 4.17Å; E227-M325 PolarHBondContact O-N 3.23Å; L228-M325 CarbonylContact C-O 3.47Å; L228-M325 WeakPolarHBondContact CA-O 3.33Å; L228-M325 HydrophobicContact CB-CB 4.31Å; L228-M325 VanDerWaalsContact CB-O 3.32Å; L228-M325 WeakPolarHBondContact CB-O 3.39Å; V229-M325 PolarHBondContact N-O 3.46Å; I295-M325 HydrophobicContact CD1-CG 4.24Å; I295-M325 HydrophobicContact CD1-SD 4.22Å; L311-M325 HydrophobicContact CB-CE 4.29Å; L311-M325 HydrophobicContact CD2-CE 4.19Å; V314-M325 HydrophobicContact CB-SD 4.29Å; V314-M325 HydrophobicContact CG1-CE 4.32Å; V314-M325 HydrophobicContact CG1-SD 3.66Å; W319-M325 HydrophobicContact CB-CG 4.18Å; W319-M325 HydrophobicContact CB-SD 4.22Å; W319-M325 HydrophobicContact CD2-CG 4.18Å; W319-M325 HydrophobicContact CG-CB 4.34Å; W319-M325 HydrophobicContact CG-CG 3.99Å; K323-M325 PolarHBondContact O-N 3.04Å; M325-L327 HydrophobicContact CE-CD1 4.03Å; M325-L327 HydrophobicContact CE-CD2 4.41Å; M325-L327 HydrophobicContact CE-CG 4.32Å; M325-L327 HydrophobicContact CG-CD2 4.09Å; M325-L327 HydrophobicContact CG-CG 4.21Å; M325-L327 HydrophobicContact SD-CD2 4.24Å
326E94.6Very high82.1Confident56 Ų5687.4 Ų87.426%0.26241%0.412SS..EExtended strand (participates in β ladder)trans-88.9112.3178.6-61.5-169.8167.100110.6V229 R231 W319 P324 Y328V229-E326 HydrophobicContact CB-CG 4.37Å; V229-E326 WeakPolarHBondContact O-CA 3.4Å; R231-E326 IonicContact CZ-OE1 3.39Å; R231-E326 IonicContact CZ-OE2 2.7Å; R231-E326 IonicContact NH1-OE1 2.77Å; R231-E326 PolarHBondContact NH1-OE1 3.09Å; R231-E326 IonicContact NH1-OE2 3.67Å; R231-E326 PolarHBondContact NH1-OE2 3.17Å; R231-E326 VanDerWaalsContact NH2-CD 3.28Å; R231-E326 IonicContact NH2-OE1 3.47Å; R231-E326 PolarHBondContact NH2-OE1 3.48Å; R231-E326 IonicContact NH2-OE2 3.58Å; W319-E326 HydrophobicContact CH2-CB 3.71Å; W319-E326 HydrophobicContact CH2-CG 3.58Å; W319-E326 HydrophobicContact CZ2-CG 4.15Å; W319-E326 HydrophobicContact CZ3-CB 3.93Å; W319-E326 HydrophobicContact CZ3-CG 4.33Å; P324-E326 PolarHBondContact O-N 2.7Å; E326-Y328 HydrophobicContact CB-CE2 4.35Å; E326-Y328 PolarHBondContact OE2-OH 3.34Å
327L95.5Very high81.7Confident0 Ų086.9 Ų86.90%041%0.41CS..EExtended strand (participates in β ladder)trans-114152.8176.8-64-177.1000110.4L228 V229 F230 R231 L259 I293 I295 L305 M325L228-L327 HydrophobicContact CD2-CD1 4.46Å; V229-L327 PolarHBondContact O-N 2.95Å; F230-L327 CarbonylContact C-O 3.6Å; F230-L327 WeakPolarHBondContact CA-O 3.2Å; F230-L327 HydrophobicContact CD2-CB 3.71Å; F230-L327 HydrophobicContact CE2-CB 3.96Å; R231-L327 PolarHBondContact N-O 3.16Å; L259-L327 HydrophobicContact CD1-CD1 3.43Å; L259-L327 VanDerWaalsContact CD1-CD1 3.43Å; I293-L327 HydrophobicContact CG2-CB 4.37Å; I293-L327 HydrophobicContact CG2-CD1 4.31Å; I295-L327 HydrophobicContact CB-CD2 4.06Å; I295-L327 HydrophobicContact CD1-CD2 3.96Å; I295-L327 HydrophobicContact CG1-CD2 4.17Å; L305-L327 HydrophobicContact CD1-CD2 3.76Å; M325-L327 HydrophobicContact CE-CD1 4.03Å; M325-L327 HydrophobicContact CE-CD2 4.41Å; M325-L327 HydrophobicContact CE-CG 4.32Å; M325-L327 HydrophobicContact CG-CD2 4.09Å; M325-L327 HydrophobicContact CG-CG 4.21Å; M325-L327 HydrophobicContact SD-CD2 4.24Å
328Y95Very high81.3Confident27 Ų2785.8 Ų85.811%0.10641%0.407CS..EExtended strand (participates in β ladder)trans-124.9147.9-179.5-59.7-99.4000110.1R231 I293 Y294 A296 F302 E326R231-Y328 HydrophobicContact CB-CD1 3.82Å; R231-Y328 HydrophobicContact CB-CE1 3.89Å; R231-Y328 PolarHBondContact NH1-OH 2.84Å; R231-Y328 VanDerWaalsContact NH1-OH 3.12Å; R231-Y328 CarbonylContact O-C 3.49Å; R231-Y328 WeakPolarHBondContact O-CA 3.17Å; I293-Y328 CarbonylContact C-O 3.55Å; I293-Y328 WeakPolarHBondContact CA-O 3.28Å; Y294-Y328 PolarHBondContact N-O 2.99Å; Y294-Y328 PolarHBondContact O-N 3.25Å; A296-Y328 HydrophobicContact CB-CE2 3.98Å; F302-Y328 HydrophobicContact CD1-CD2 4.04Å; F302-Y328 HydrophobicContact CD1-CG 4.13Å; F302-Y328 AromaticContact CE1-CD1 3.82Å; F302-Y328 HydrophobicContact CE1-CD1 3.82Å; F302-Y328 AromaticContact CE1-CD2 3.56Å; F302-Y328 HydrophobicContact CE1-CD2 3.56Å; F302-Y328 AromaticContact CE1-CE1 3.99Å; F302-Y328 HydrophobicContact CE1-CE1 3.99Å; F302-Y328 AromaticContact CE1-CE2 3.77Å; F302-Y328 HydrophobicContact CE1-CE2 3.77Å; F302-Y328 AromaticContact CE1-CG 3.61Å; F302-Y328 HydrophobicContact CE1-CG 3.61Å; F302-Y328 AromaticContact CE1-CZ 3.98Å; F302-Y328 HydrophobicContact CZ-CE1 4.45Å; E326-Y328 HydrophobicContact CB-CE2 4.35Å; E326-Y328 PolarHBondContact OE2-OH 3.34Å
329Y93.9Very high80.7Confident3 Ų387.2 Ų87.21%0.01242%0.416CS..EExtended strand (participates in β ladder)trans-128.4149.1177.760.7-94.8000111.7F230 R231 H233 M237 Q244 L263 Y291 T292F230-Y329 HydrophobicContact CD1-CD1 4.29Å; F230-Y329 AromaticContact CD2-CD1 3.66Å; F230-Y329 HydrophobicContact CD2-CD1 3.66Å; F230-Y329 HydrophobicContact CD2-CE1 4.46Å; F230-Y329 HydrophobicContact CE1-CD1 4.37Å; F230-Y329 AromaticContact CE2-CD1 3.74Å; F230-Y329 HydrophobicContact CE2-CD1 3.74Å; F230-Y329 HydrophobicContact CE2-CG 4.24Å; F230-Y329 AromaticContact CG-CD1 3.96Å; F230-Y329 HydrophobicContact CG-CD1 3.96Å; F230-Y329 HydrophobicContact CG-CE1 4.38Å; F230-Y329 HydrophobicContact CZ-CD1 4.12Å; F230-Y329 HydrophobicContact CZ-CG 4.45Å; R231-Y329 WeakPolarHBondContact O-CD1 3.12Å; R231-Y329 WeakPolarHBondContact O-CE1 3.34Å; R231-Y329 PolarHBondContact O-N 3.37Å; H233-Y329 VanDerWaalsContact CB-O 3.32Å; H233-Y329 WeakPolarHBondContact CB-O 3.42Å; H233-Y329 PolarHBondContact N-O 3.19Å; M237-Y329 HydrophobicContact CE-CD2 4.45Å; M237-Y329 HydrophobicContact CE-CE2 3.87Å; M237-Y329 HydrophobicContact SD-CD2 3.68Å; M237-Y329 HydrophobicContact SD-CE2 3.54Å; M237-Y329 VanDerWaalsContact SD-CE2 3.54Å; Q244-Y329 PolarHBondContact O-OH 2.85Å; L263-Y329 HydrophobicContact CD1-CD1 4.46Å; L263-Y329 HydrophobicContact CD1-CE1 4.22Å; L263-Y329 HydrophobicContact CD1-CE2 4.28Å; L263-Y329 HydrophobicContact CD2-CD1 3.82Å; L263-Y329 HydrophobicContact CD2-CD2 3.35Å; L263-Y329 HydrophobicContact CD2-CE1 4.32Å; L263-Y329 HydrophobicContact CD2-CE2 3.88Å; L263-Y329 HydrophobicContact CD2-CG 3.3Å; L263-Y329 HydrophobicContact CG-CD2 4.5Å; Y291-Y329 HydrophobicContact CD1-CD2 4.17Å; Y291-Y329 HydrophobicContact CE1-CD2 4.42Å; T292-Y329 WeakPolarHBondContact O-CA 3.48Å
330A91.8Very high80.2Confident2 Ų289.9 Ų89.92%0.01743%0.432CS..EExtended strand (participates in β ladder)trans-141.9151.2167.100000109.5H233 L236 M237 Y291 T292 Y294 T332H233-A330 HydrophobicContact CB-CB 3.98Å; L236-A330 HydrophobicContact CB-CB 3.77Å; L236-A330 HydrophobicContact CD1-CB 4.03Å; M237-A330 HydrophobicContact CG-CB 4.49Å; Y291-A330 WeakPolarHBondContact CA-O 3.36Å; T292-A330 PolarHBondContact N-O 3.18Å; T292-A330 PolarHBondContact O-N 3.42Å; Y294-A330 HydrophobicContact CE2-CB 3.85Å; A330-T332 PolarHBondContact O-N 3.04Å
331P90Very high79.9Confident69 Ų6985.4 Ų85.445%0.44841%0.414SS..EExtended strand (participates in β ladder)trans-56133.7171.7-22.933.2000110.8Q290 Y291 K333Q290-P331 WeakPolarHBondContact O-CA 3.43Å; Y291-P331 HydrophobicContact CE1-CG 4.2Å; P331-K333 PolarHBondContact O-N 3.09Å
332T86.5Confident79.6Confident49 Ų4986.1 Ų86.130%0.30141%0.412SS..  trans-66.7121177-56.10000109.1K289 Q290 Y291 T292 A330 E334K289-T332 WeakPolarHBondContact O-CB 3.38Å; K289-T332 PolarHBondContact O-OG1 2.95Å; Q290-T332 PolarHBondContact O-N 2.69Å; Q290-T332 PolarHBondContact O-OG1 3.5Å; Y291-T332 VanDerWaalsContact C-OG1 3.24Å; Y291-T332 PolarHBondContact N-OG1 3.28Å; T292-T332 PolarHBondContact N-OG1 2.96Å; T292-T332 PolarHBondContact OG1-OG1 2.88Å; A330-T332 PolarHBondContact O-N 3.04Å; T332-E334 HydrophobicContact CG2-CG 4.49Å; T332-E334 PolarHBondContact O-N 3.07Å; T332-E334 VanDerWaalsContact O-N 3.11Å
333K74.4Confident79.5Confident174 Ų17485.8 Ų85.876%0.75741%0.407SS*.  trans-78.991.5168.9-63.4-176.6-177.3-177.70107.3P331 H335P331-K333 PolarHBondContact O-N 3.09Å; K333-H335 PolarHBondContact O-N 3.39Å
334E57.3Low79Confident149 Ų14980.6 Ų80.670%0.69639%0.387SS*.  trans-60123168.7-71.6-170158.300108.3T332 K336T332-E334 HydrophobicContact CG2-CG 4.49Å; T332-E334 PolarHBondContact O-N 3.07Å; T332-E334 VanDerWaalsContact O-N 3.11Å; E334-K336 PolarHBondContact O-N 3.05Å
335H36.1Very low78Confident193 Ų19382.7 Ų82.789%0.89439%0.389SS*.  trans-54.8110.8163.5-94.2-88.8000107.1K333K333-H335 PolarHBondContact O-N 3.39Å
336K28.4Very low76.7Confident268 Ų26890 Ų90100%1.16542%0.423SS*.  trans-63.80160.5-152.9-178.4-171.1-178.60109.9E334E334-K336 PolarHBondContact O-N 3.05Å

Retrieved 336 of 336 residues in 257.6 ms (Link to these results)