A0A060Z1L3_ONCMY Loading...

Purine-rich element binding protein Ab

AlphaFold DB , UniProt , Accession A0A060Z1L3, Species ONCMY (Oncorhynchus mykiss, Rainbow trout), Gene LOC110504671, Length 280 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M49.8Very low39.6Very low251 Ų251144.1 Ų144.1100%1.23684%0.837SS**  097.50-83.9175.5162.500107.8
2A43Very low39.1Very low104 Ų104138.5 Ų138.586%0.8683%0.833SS**  trans-152.2118.4163.900000105.8
3D44.3Very low38.8Very low144 Ų144140.3 Ų140.377%0.7783%0.834SS**  trans-76.6154.8-174.1-88.7-77.4000113.5
4R40.5Very low38.8Very low233 Ų233137.6 Ų137.688%0.87984%0.835SS**  trans68147.7144.2-74.9170.3170169.9-1.8118.9
5D38.4Very low38.9Very low139 Ų139137.4 Ų137.474%0.74383%0.834SS**  cis-178.1163.6-16.7-17829.3000105.7
6S40.2Very low38.7Very low109 Ų109132.9 Ų132.976%0.76282%0.824SS**  trans87.7119.6153.1-76.90000121.3
7G34Very low38.7Very low67 Ų67133.2 Ų133.269%0.69183%0.829SS**  trans128.555.1142.500000116.1
8S41.5Very low38.4Very low119 Ų119129.7 Ų129.783%0.83282%0.822SS**  67.9110.5103.666.30000116.6
9D34.5Very low38.5Very low150 Ų150129 Ų12980%0.80282%0.822SS**  trans-40.8135.2167.5-86.8-69.3000117.5
10H36.4Very low38.9Very low202 Ų202130.4 Ų130.494%0.93582%0.822SS**  trans-121.981.5149.6-10013.9000109.4
11G33.5Very low39.1Very low67 Ų67128.9 Ų128.969%0.69181%0.813SS**  trans-74.6118.6163.700000110.1
12G33.6Very low38.7Very low77 Ų77123.7 Ų123.779%0.79480%0.799SS**  trans-67.3144.4173.200000112.3
13L34.5Very low38.7Very low162 Ų162121.5 Ų121.585%0.84879%0.786SS**  trans-128.3108.3162.9-89.6156.2000108.6
14A38.8Very low38.6Very low102 Ų102118.6 Ų118.684%0.84378%0.782SS**  trans-59.2128.1163.900000109.4
15T39.8Very low38.6Very low135 Ų135116.1 Ų116.183%0.82878%0.782SS**  trans-122.9119.9165.448.30000108
16G36.4Very low38.5Very low65 Ų65111.1 Ų111.167%0.6776%0.764SS**  trans-69.8-179.4-179.100000113.4G18G16-G18 PolarHBondContact O-N 3.06Å
17P39.4Very low38.4Very low139 Ų139109.4 Ų109.490%0.90376%0.756SS**  trans-72.399.5-175.130.3-30.7000109.3S19P17-S19 PolarHBondContact O-N 3.1Å
18G33.1Very low38.5Very low69 Ų69109.8 Ų109.871%0.71175%0.753SS**  trans-65.6111.7170.500000110.3G16 L20G16-G18 PolarHBondContact O-N 3.06Å; G18-L20 PolarHBondContact O-N 3.04Å
19S40.1Very low38.3Very low117 Ų117106.5 Ų106.582%0.81873%0.733SS**  trans-43.4114.2165.441.20000112.1P17P17-S19 PolarHBondContact O-N 3.1Å
20L46.3Very low38.4Very low156 Ų156109.2 Ų109.282%0.81773%0.732SS**  trans-59.1139.2169.3-74.8148.6000110.1G18G18-L20 PolarHBondContact O-N 3.04Å
21P43Very low38.6Very low100 Ų100106.3 Ų106.365%0.64972%0.723SS**  trans-63.7135.6176.525-31.5000110.5G23P21-G23 PolarHBondContact O-N 2.92Å
22P41.4Very low39Very low142 Ų142110.5 Ų110.592%0.92272%0.724SS**THydrogen-bonded Turntrans-75.578.9179.231.2-32.1000109.2
23G42.4Very low39.6Very low58 Ų58114.7 Ų114.760%0.59872%0.723SS**THydrogen-bonded Turntrans-163.1-21-179.200000114.5P21P21-G23 PolarHBondContact O-N 2.92Å
24A42.1Very low40.7Very low83 Ų83112.9 Ų112.969%0.68671%0.714SS**SBendtrans-84.2-20.1-176.900000114.6
25M41.3Very low42.5Very low180 Ų180110.6 Ų110.689%0.88769%0.69SS**SBendtrans-81.7-10.8175.2-81.317385.600113.7
26G35.4Very low44.7Very low35 Ų35110.3 Ų110.336%0.36168%0.679SS.*Hα-helixtrans-82.5-20-178.400000115R30G26-R30 WeakPolarHBondContact O-CB 3.37Å; G26-R30 WeakPolarHBondContact O-CG 3.41Å; G26-R30 PolarHBondContact O-N 3.04Å; G26-R30 VanDerWaalsContact O-N 3.11Å
27A38.1Very low47.3Very low72 Ų72111.8 Ų111.860%0.59567%0.668SS**Hα-helixtrans-75.6-32.5-176.200000113
28A37.1Very low49.7Very low76 Ų76107.4 Ų107.463%0.62864%0.637SS**Hα-helixtrans-79-28176.100000112.8
29A36.8Very low52.6Low49 Ų49104.8 Ų104.841%0.40561%0.609SS.*Hα-helixtrans-78.8-31.8177.100000112.7L31 Q32A29-L31 VanDerWaalsContact C-N 3.28Å; A29-L31 PolarHBondContact O-N 2.88Å; A29-Q32 PolarHBondContact O-N 3.36Å; A29-Q32 VanDerWaalsContact O-N 3.15Å
30R36.1Very low55.2Low207 Ų207102.1 Ų102.178%0.78159%0.59SS**THydrogen-bonded Turntrans-67.1-21.1-179.8-83-175.5170.8-178.1-1.6115G26 Q32G26-R30 WeakPolarHBondContact O-CB 3.37Å; G26-R30 WeakPolarHBondContact O-CG 3.41Å; G26-R30 PolarHBondContact O-N 3.04Å; G26-R30 VanDerWaalsContact O-N 3.11Å; R30-Q32 VanDerWaalsContact C-N 3.34Å
31L40.3Very low57.6Low141 Ų14199.6 Ų99.674%0.73857%0.573SS**THydrogen-bonded Turntrans-80.7-11.6174.9-74.4167.4000113.7A29A29-L31 VanDerWaalsContact C-N 3.28Å; A29-L31 PolarHBondContact O-N 2.88Å
32Q43.5Very low60.1Low156 Ų15699.8 Ų99.873%0.72956%0.56SS**THydrogen-bonded Turntrans-86-17.9177.6-66-175.917.500112.8A29 R30A29-Q32 PolarHBondContact O-N 3.36Å; A29-Q32 VanDerWaalsContact O-N 3.15Å; R30-Q32 VanDerWaalsContact C-N 3.34Å
33H44.9Very low62.7Low164 Ų16493 Ų9376%0.75952%0.516SS*.THydrogen-bonded Turntrans-82.3-6.2-177.1-81.8-77.2000115.2
34D59Low65.2Low124 Ų12493.9 Ų93.966%0.66351%0.508SS*.THydrogen-bonded Turntrans-101.19.4178.1-84.7-8.1000113.4
35T75.6Confident67.7Low54 Ų5490.3 Ų90.333%0.33148%0.477SS..  trans-115.9108.6178.7-55.60000110.3K55 Q56 N57 F62T35-K55 HydrophobicContact CG2-CB 3.77Å; T35-K55 HydrophobicContact CG2-CD 4.04Å; T35-K55 HydrophobicContact CG2-CG 4.43Å; T35-Q56 CarbonylContact C-O 3.58Å; T35-Q56 VanDerWaalsContact CA-O 3.28Å; T35-Q56 WeakPolarHBondContact CA-O 3.43Å; T35-N57 HydrophobicContact CG2-CB 4.46Å; T35-F62 HydrophobicContact CG2-CE1 3.97Å; T35-F62 HydrophobicContact CG2-CZ 3.79Å
36E85.8Confident70Confident129 Ų12986.5 Ų86.560%0.60346%0.457SS*.EExtended strand (participates in β ladder)trans-82.9140.2174.6-173.4173.8-179.300110.2L38 K55 Q56E36-L38 HydrophobicContact CG-CD2 4.23Å; E36-K55 CarbonylContact O-C 3.53Å; E36-K55 WeakPolarHBondContact O-CA 3.43Å; E36-K55 WeakPolarHBondContact O-CB 3.48Å; E36-Q56 PolarHBondContact N-O 3.33Å; E36-Q56 PolarHBondContact O-N 2.94Å
37E91.6Very high72.5Confident97 Ų9790.1 Ų90.145%0.45347%0.468SS..EExtended strand (participates in β ladder)trans-97.4115172-174.7171.5121.700108.9S40 K55E37-S40 WeakPolarHBondContact OE1-CB 3.46Å; E37-K55 HydrophobicContact CB-CG 4.49Å; E37-K55 HydrophobicContact CG-CG 4.43Å; E37-K55 WeakPolarHBondContact OE2-CE 3.42Å; E37-K55 IonicContact OE2-NZ 3.55Å; E37-K55 PolarHBondContact OE2-NZ 3.13Å
38L89.9Confident75.1Confident46 Ų4688.4 Ų88.424%0.24145%0.447CS..EExtended strand (participates in β ladder)trans-87-38.1-176.7-60-178.9000111.8E36 V54 Q56 R61 Y183E36-L38 HydrophobicContact CG-CD2 4.23Å; L38-V54 HydrophobicContact CB-CG1 4.31Å; L38-V54 HydrophobicContact CD1-CG1 4.18Å; L38-V54 PolarHBondContact N-O 3.4Å; L38-Q56 HydrophobicContact CD1-CB 4.03Å; L38-Q56 HydrophobicContact CD2-CB 4.37Å; L38-Q56 HydrophobicContact CG-CB 4.16Å; L38-R61 HydrophobicContact CD1-CG 4.01Å; L38-Y183 HydrophobicContact CB-CD1 3.99Å; L38-Y183 HydrophobicContact CB-CE1 3.9Å; L38-Y183 HydrophobicContact CD1-CD1 4.14Å; L38-Y183 PolarHBondContact O-OH 3.35Å
39A93.6Very high77.9Confident15 Ų1590.9 Ų90.912%0.12444%0.44CS..EExtended strand (participates in β ladder)trans-153.9149.7178.400000110.8D53 V54 L179 Y183A39-D53 CarbonylContact O-C 3.59Å; A39-D53 WeakPolarHBondContact O-CA 3.4Å; A39-V54 HydrophobicContact CB-CB 4.3Å; A39-V54 PolarHBondContact N-O 3.46Å; A39-V54 PolarHBondContact O-N 3.39Å; A39-L179 HydrophobicContact CB-CD2 3.85Å; A39-Y183 HydrophobicContact CB-CD2 4.09Å; A39-Y183 HydrophobicContact CB-CE1 4.37Å; A39-Y183 HydrophobicContact CB-CE2 3.43Å; A39-Y183 VanDerWaalsContact CB-CE2 3.43Å
40S95.2Very high80.8Confident61 Ų6188.6 Ų88.643%0.42742%0.421SS..EExtended strand (participates in β ladder)trans-133.6130.3167.7-176.80000109.5E37 L52 D53E37-S40 WeakPolarHBondContact OE1-CB 3.46Å; S40-L52 WeakPolarHBondContact CA-O 3.38Å; S40-D53 WeakPolarHBondContact CB-OD1 3.4Å; S40-D53 PolarHBondContact OG-OD1 2.92Å
41K96.4Very high83.7Confident102 Ų10282 Ų8244%0.44340%0.397SS..EExtended strand (participates in β ladder)trans-121.9125.6174.4-177.864.3176.7-177.30109.5V43 L52 A175 L179K41-V43 HydrophobicContact CG-CG2 4.34Å; K41-L52 HydrophobicContact CB-CB 4.4Å; K41-L52 PolarHBondContact N-O 3.1Å; K41-L52 PolarHBondContact O-N 3.4Å; K41-A175 HydrophobicContact CG-CB 4.02Å; K41-L179 HydrophobicContact CB-CD1 4.04Å; K41-L179 HydrophobicContact CB-CD2 4.46Å
42R96.3Very high86.4Confident104 Ų10475.3 Ų75.339%0.39236%0.361SS..EExtended strand (participates in β ladder)trans-95.2136.1171.1-178.7175.7163.8-167.6-16.4110.6D44 F50 Y51R42-D44 IonicContact CZ-OD1 3.43Å; R42-D44 IonicContact CZ-OD2 3.32Å; R42-D44 IonicContact NE-OD1 2.78Å; R42-D44 PolarHBondContact NE-OD1 2.78Å; R42-D44 IonicContact NE-OD2 3.26Å; R42-D44 PolarHBondContact NE-OD2 3.33Å; R42-D44 IonicContact NH2-OD1 3.21Å; R42-D44 PolarHBondContact NH2-OD1 2.89Å; R42-D44 IonicContact NH2-OD2 2.7Å; R42-D44 PolarHBondContact NH2-OD2 3.13Å; R42-F50 CarbonylContact C-O 3.53Å; R42-F50 VanDerWaalsContact CA-O 3.31Å; R42-F50 WeakPolarHBondContact CA-O 3.43Å; R42-Y51 HydrophobicContact CB-CD1 4.25Å; R42-Y51 HydrophobicContact CB-CE1 4.29Å; R42-Y51 HydrophobicContact CG-CD1 4.32Å; R42-Y51 HydrophobicContact CG-CE1 4.05Å
43V96Very high88.9Confident0 Ų068.6 Ų68.60%033%0.331CS..EExtended strand (participates in β ladder)trans-128.8119.2175.8-172.40000107.9K41 I45 F50 L52 E171 A175K41-V43 HydrophobicContact CG-CG2 4.34Å; V43-I45 HydrophobicContact CG1-CD1 3.9Å; V43-I45 HydrophobicContact CG1-CG1 3.82Å; V43-F50 HydrophobicContact CB-CB 4.39Å; V43-F50 PolarHBondContact N-O 3.17Å; V43-F50 PolarHBondContact O-N 3.06Å; V43-L52 HydrophobicContact CG2-CD1 3.96Å; V43-E171 HydrophobicContact CG1-CB 4.34Å; V43-E171 HydrophobicContact CG1-CG 3.82Å; V43-A175 HydrophobicContact CG2-CB 3.71Å
44D94.6Very high91.3Very high77 Ų7760.8 Ų60.841%0.41230%0.295SS..EExtended strand (participates in β ladder)trans-102.4114.5-178.4-73.2-23.5000109.4R42 R49R42-D44 IonicContact CZ-OD1 3.43Å; R42-D44 IonicContact CZ-OD2 3.32Å; R42-D44 IonicContact NE-OD1 2.78Å; R42-D44 PolarHBondContact NE-OD1 2.78Å; R42-D44 IonicContact NE-OD2 3.26Å; R42-D44 PolarHBondContact NE-OD2 3.33Å; R42-D44 IonicContact NH2-OD1 3.21Å; R42-D44 PolarHBondContact NH2-OD1 2.89Å; R42-D44 IonicContact NH2-OD2 2.7Å; R42-D44 PolarHBondContact NH2-OD2 3.13Å; D44-R49 WeakPolarHBondContact OD1-CB 3.46Å; D44-R49 VanDerWaalsContact OD1-CG 3.26Å; D44-R49 WeakPolarHBondContact OD1-CG 3.35Å
45I93.6Very high92.9Very high7 Ų756.5 Ų56.54%0.03627%0.27CS..EExtended strand (participates in β ladder)trans-125.3112.9-175.4-53.2169.2000108.7V43 N47 K48 F50 P165 F172V43-I45 HydrophobicContact CG1-CD1 3.9Å; V43-I45 HydrophobicContact CG1-CG1 3.82Å; I45-N47 PolarHBondContact O-N 3.45Å; I45-K48 PolarHBondContact N-O 2.88Å; I45-K48 PolarHBondContact O-N 3.36Å; I45-F50 HydrophobicContact CB-CD2 4.4Å; I45-F50 HydrophobicContact CB-CE2 4.16Å; I45-F50 HydrophobicContact CD1-CD2 3.84Å; I45-F50 HydrophobicContact CD1-CE2 3.95Å; I45-F50 HydrophobicContact CG1-CD2 4.22Å; I45-F50 HydrophobicContact CG1-CE2 4.38Å; I45-P165 HydrophobicContact CB-CG 4.46Å; I45-P165 HydrophobicContact CG2-CB 3.73Å; I45-P165 HydrophobicContact CG2-CG 3.71Å; I45-F172 HydrophobicContact CD1-CB 4.33Å; I45-F172 HydrophobicContact CD1-CD2 4.3Å
46Q89.6Confident93.4Very high101 Ų10156 Ų5647%0.47226%0.264SS..THydrogen-bonded Turntrans51.6-122.8-173.1-57.5177.8-11.300110.7K48 P165 Q167Q46-K48 VanDerWaalsContact C-N 3.32Å; Q46-P165 HydrophobicContact CG-CB 4.22Å; Q46-P165 HydrophobicContact CG-CG 4.36Å; Q46-Q167 VanDerWaalsContact NE2-OE1 3.11Å
47N88.6Confident93.1Very high110 Ų11052 Ų5259%0.58825%0.246SC*.THydrogen-bonded Turntrans-97.321.3-179.2-50-15000111.9I45 A70I45-N47 PolarHBondContact O-N 3.45Å; N47-A70 HydrophobicContact CB-CB 4Å; N47-A70 PolarHBondContact O-N 3.16Å; N47-A70 VanDerWaalsContact O-N 3.15Å
48K93.1Very high92.1Very high37 Ų3750.8 Ų50.816%0.16125%0.253CS..EExtended strand (participates in β ladder)trans-123.3146.3179.6-61.4-170.8178.6-165.50110.4I45 Q46 F50 E67 V68 A163 P165I45-K48 PolarHBondContact N-O 2.88Å; I45-K48 PolarHBondContact O-N 3.36Å; Q46-K48 VanDerWaalsContact C-N 3.32Å; K48-F50 HydrophobicContact CB-CD2 4.47Å; K48-F50 HydrophobicContact CB-CE2 3.74Å; K48-F50 HydrophobicContact CB-CZ 4.2Å; K48-F50 HydrophobicContact CD-CE2 4.32Å; K48-F50 HydrophobicContact CD-CZ 4.03Å; K48-E67 HydrophobicContact CD-CG 4.3Å; K48-E67 WeakPolarHBondContact CD-OE1 3.4Å; K48-E67 VanDerWaalsContact CE-OE1 3.3Å; K48-E67 WeakPolarHBondContact CE-OE1 3.36Å; K48-E67 IonicContact NZ-OE1 3.89Å; K48-E67 PolarHBondContact NZ-OE1 2.83Å; K48-V68 WeakPolarHBondContact CA-O 3.37Å; K48-A163 PolarHBondContact NZ-O 2.98Å; K48-P165 HydrophobicContact CD-CG 4.42Å
49R95.2Very high91Very high128 Ų12857.1 Ų57.148%0.48328%0.279SS..EExtended strand (participates in β ladder)trans-118.1126.2175.5-51.7-177.5174.7164.7-0.5108.6D44 Y51 V68D44-R49 WeakPolarHBondContact OD1-CB 3.46Å; D44-R49 VanDerWaalsContact OD1-CG 3.26Å; D44-R49 WeakPolarHBondContact OD1-CG 3.35Å; R49-Y51 HydrophobicContact CB-CE2 4.06Å; R49-V68 HydrophobicContact CB-CB 4.43Å; R49-V68 PolarHBondContact N-O 3.48Å; R49-V68 PolarHBondContact O-N 3.1Å
50F96.9Very high90.2Very high0 Ų057.8 Ų57.80%029%0.287CS..EExtended strand (participates in β ladder)trans-108.1131.9176.2-63.9-90.5000109.4R42 V43 I45 K48 L52 I65 A66 E67 L164 F172R42-F50 CarbonylContact C-O 3.53Å; R42-F50 VanDerWaalsContact CA-O 3.31Å; R42-F50 WeakPolarHBondContact CA-O 3.43Å; V43-F50 HydrophobicContact CB-CB 4.39Å; V43-F50 PolarHBondContact N-O 3.17Å; V43-F50 PolarHBondContact O-N 3.06Å; I45-F50 HydrophobicContact CB-CD2 4.4Å; I45-F50 HydrophobicContact CB-CE2 4.16Å; I45-F50 HydrophobicContact CD1-CD2 3.84Å; I45-F50 HydrophobicContact CD1-CE2 3.95Å; I45-F50 HydrophobicContact CG1-CD2 4.22Å; I45-F50 HydrophobicContact CG1-CE2 4.38Å; K48-F50 HydrophobicContact CB-CD2 4.47Å; K48-F50 HydrophobicContact CB-CE2 3.74Å; K48-F50 HydrophobicContact CB-CZ 4.2Å; K48-F50 HydrophobicContact CD-CE2 4.32Å; K48-F50 HydrophobicContact CD-CZ 4.03Å; F50-L52 HydrophobicContact CB-CD1 4.11Å; F50-I65 HydrophobicContact CD1-CG2 4.5Å; F50-A66 CarbonylContact C-O 3.57Å; F50-A66 VanDerWaalsContact CA-O 3.25Å; F50-A66 WeakPolarHBondContact CA-O 3.46Å; F50-E67 HydrophobicContact CD1-CB 3.99Å; F50-E67 HydrophobicContact CD1-CG 4.28Å; F50-E67 HydrophobicContact CE1-CB 3.7Å; F50-E67 HydrophobicContact CE1-CG 3.63Å; F50-E67 HydrophobicContact CZ-CG 3.97Å; F50-L164 HydrophobicContact CE1-CD1 3.82Å; F50-L164 HydrophobicContact CE1-CG 3.9Å; F50-L164 HydrophobicContact CZ-CB 4.47Å; F50-L164 HydrophobicContact CZ-CD1 4.26Å; F50-L164 HydrophobicContact CZ-CG 3.97Å; F50-F172 HydrophobicContact CB-CD2 4.37Å; F50-F172 HydrophobicContact CB-CE2 3.95Å; F50-F172 HydrophobicContact CD1-CE2 4.06Å; F50-F172 HydrophobicContact CG-CD2 4.37Å; F50-F172 HydrophobicContact CG-CE2 4.04Å
51Y97.3Very high89.8Confident69 Ų6957.7 Ų57.727%0.27128%0.277SS..EExtended strand (participates in β ladder)trans-112.9121172.5-59.5-95.5000107.9R42 R49 I65 A66 V68R42-Y51 HydrophobicContact CB-CD1 4.25Å; R42-Y51 HydrophobicContact CB-CE1 4.29Å; R42-Y51 HydrophobicContact CG-CD1 4.32Å; R42-Y51 HydrophobicContact CG-CE1 4.05Å; R49-Y51 HydrophobicContact CB-CE2 4.06Å; Y51-I65 CarbonylContact O-C 3.58Å; Y51-I65 VanDerWaalsContact O-CA 3.29Å; Y51-I65 WeakPolarHBondContact O-CA 3.41Å; Y51-A66 PolarHBondContact N-O 2.98Å; Y51-A66 PolarHBondContact O-N 3.33Å; Y51-V68 HydrophobicContact CD2-CG2 4.19Å; Y51-V68 HydrophobicContact CE2-CG2 3.85Å
52L97.3Very high89.6Confident0 Ų054.4 Ų54.40%026%0.263CS..EExtended strand (participates in β ladder)trans-107.299.2177-71.773.2000106.8S40 K41 V43 F50 L63 I65 F172 A175 L176 L179S40-L52 WeakPolarHBondContact CA-O 3.38Å; K41-L52 HydrophobicContact CB-CB 4.4Å; K41-L52 PolarHBondContact N-O 3.1Å; K41-L52 PolarHBondContact O-N 3.4Å; V43-L52 HydrophobicContact CG2-CD1 3.96Å; F50-L52 HydrophobicContact CB-CD1 4.11Å; L52-L63 HydrophobicContact CB-CD1 4.26Å; L52-I65 HydrophobicContact CG-CG1 4.46Å; L52-F172 HydrophobicContact CD1-CD2 4.3Å; L52-F172 HydrophobicContact CD1-CE2 3.67Å; L52-F172 HydrophobicContact CD1-CZ 4Å; L52-F172 HydrophobicContact CD2-CE1 4.18Å; L52-F172 HydrophobicContact CD2-CE2 4.34Å; L52-F172 HydrophobicContact CD2-CZ 3.97Å; L52-F172 HydrophobicContact CG-CE2 4.27Å; L52-F172 HydrophobicContact CG-CZ 4.08Å; L52-A175 HydrophobicContact CD2-CB 4.45Å; L52-L176 HydrophobicContact CD2-CB 4.32Å; L52-L179 HydrophobicContact CB-CD1 3.65Å; L52-L179 HydrophobicContact CD2-CD1 4.12Å
53D96.4Very high89.5Confident16 Ų1649.5 Ų49.59%0.08625%0.245CC..EExtended strand (participates in β ladder)trans-104116.9-178.6-46.3-41.1000109.5A39 S40 K55 K64A39-D53 CarbonylContact O-C 3.59Å; A39-D53 WeakPolarHBondContact O-CA 3.4Å; S40-D53 WeakPolarHBondContact CB-OD1 3.4Å; S40-D53 PolarHBondContact OG-OD1 2.92Å; D53-K55 HydrophobicContact CB-CD 4.44Å; D53-K55 VanDerWaalsContact CB-CE 3.45Å; D53-K55 HydrophobicContact CB-CG 4.19Å; D53-K64 HydrophobicContact CB-CB 4.44Å; D53-K64 PolarHBondContact N-O 3.31Å; D53-K64 PolarHBondContact O-N 2.9Å
54V94.8Very high89.5Confident0 Ų052.4 Ų52.40%026%0.258CS..EExtended strand (participates in β ladder)trans-83.2121.9167.8-177.80000107.6L38 A39 L63 L179 Y183L38-V54 HydrophobicContact CB-CG1 4.31Å; L38-V54 HydrophobicContact CD1-CG1 4.18Å; L38-V54 PolarHBondContact N-O 3.4Å; A39-V54 HydrophobicContact CB-CB 4.3Å; A39-V54 PolarHBondContact N-O 3.46Å; A39-V54 PolarHBondContact O-N 3.39Å; V54-L63 HydrophobicContact CG2-CD1 3.83Å; V54-L179 HydrophobicContact CG2-CB 4.04Å; V54-L179 HydrophobicContact CG2-CD1 4.21Å; V54-L179 HydrophobicContact CG2-CD2 3.98Å; V54-L179 HydrophobicContact CG2-CG 4.3Å; V54-Y183 HydrophobicContact CG1-CG 4.22Å; V54-Y183 HydrophobicContact CG2-CD2 4.47Å
55K93.2Very high89.6Confident34 Ų3448.8 Ų48.815%0.14824%0.238CC..EExtended strand (participates in β ladder)trans-128.1148.1-177.1-59.4-168.5-178.2-120.20110.6T35 E36 E37 D53 R61 F62T35-K55 HydrophobicContact CG2-CB 3.77Å; T35-K55 HydrophobicContact CG2-CD 4.04Å; T35-K55 HydrophobicContact CG2-CG 4.43Å; E36-K55 CarbonylContact O-C 3.53Å; E36-K55 WeakPolarHBondContact O-CA 3.43Å; E36-K55 WeakPolarHBondContact O-CB 3.48Å; E37-K55 HydrophobicContact CB-CG 4.49Å; E37-K55 HydrophobicContact CG-CG 4.43Å; E37-K55 WeakPolarHBondContact OE2-CE 3.42Å; E37-K55 IonicContact OE2-NZ 3.55Å; E37-K55 PolarHBondContact OE2-NZ 3.13Å; D53-K55 HydrophobicContact CB-CD 4.44Å; D53-K55 VanDerWaalsContact CB-CE 3.45Å; D53-K55 HydrophobicContact CB-CG 4.19Å; K55-R61 CarbonylContact O-C 3.44Å; K55-R61 WeakPolarHBondContact O-CA 3.15Å; K55-F62 HydrophobicContact CB-CD1 4.38Å; K55-F62 HydrophobicContact CB-CD2 4.45Å; K55-F62 HydrophobicContact CB-CE1 3.76Å; K55-F62 HydrophobicContact CB-CE2 3.88Å; K55-F62 HydrophobicContact CB-CZ 3.51Å; K55-F62 HydrophobicContact CD-CE2 4.37Å; K55-F62 HydrophobicContact CD-CZ 4.25Å; K55-F62 HydrophobicContact CG-CE2 4.48Å; K55-F62 HydrophobicContact CG-CZ 4.39Å; K55-F62 PolarHBondContact N-O 2.91Å; K55-F62 WeakPolarHBondContact O-CD1 3.38Å; K55-F62 PolarHBondContact O-N 2.93Å
56Q86.1Confident89.7Confident42 Ų4249.4 Ų49.420%0.19625%0.245CC..EExtended strand (participates in β ladder)trans-116.9133.2176.1-173.2159-12.200109.4T35 E36 L38 R61 E187T35-Q56 CarbonylContact C-O 3.58Å; T35-Q56 VanDerWaalsContact CA-O 3.28Å; T35-Q56 WeakPolarHBondContact CA-O 3.43Å; E36-Q56 PolarHBondContact N-O 3.33Å; E36-Q56 PolarHBondContact O-N 2.94Å; L38-Q56 HydrophobicContact CD1-CB 4.03Å; L38-Q56 HydrophobicContact CD2-CB 4.37Å; L38-Q56 HydrophobicContact CG-CB 4.16Å; Q56-R61 HydrophobicContact CB-CG 4.09Å; Q56-R61 HydrophobicContact CG-CG 4.01Å; Q56-E187 PolarHBondContact NE2-OE1 3.23Å; Q56-E187 VanDerWaalsContact NE2-OE1 3.16Å
57N79.1Confident89.9Confident45 Ų4545.4 Ų45.424%0.24123%0.226CC..EExtended strand (participates in β ladder)trans-132.4-178.7169.265.626.9000109.7T35 K59 G60 F62T35-N57 HydrophobicContact CG2-CB 4.46Å; N57-K59 PolarHBondContact O-N 2.96Å; N57-K59 WeakPolarHBondContact OD1-CA 3.48Å; N57-K59 VanDerWaalsContact OD1-CB 3.26Å; N57-K59 WeakPolarHBondContact OD1-CB 3.25Å; N57-K59 PolarHBondContact OD1-N 3.48Å; N57-G60 PolarHBondContact N-O 3.03Å; N57-G60 VanDerWaalsContact N-O 3.12Å; N57-G60 PolarHBondContact O-N 3.09Å; N57-G60 PolarHBondContact OD1-N 2.91Å; N57-G60 PolarHBondContact OD1-O 2.88Å; N57-F62 HydrophobicContact CB-CE1 4.16Å; N57-F62 WeakPolarHBondContact ND2-CE1 3.5Å
58A69.9Low90.2Very high73 Ų7342 Ų4260%0.60321%0.209SC*.THydrogen-bonded Turntrans-58.7-1017800000115.5
59K67.1Low90Very high178 Ų17840.9 Ų40.977%0.77421%0.208SC*.THydrogen-bonded Turntrans-97.4-4.6174.9-56.8-178.8179.1179.10113.2N57N57-K59 PolarHBondContact O-N 2.96Å; N57-K59 WeakPolarHBondContact OD1-CA 3.48Å; N57-K59 VanDerWaalsContact OD1-CB 3.26Å; N57-K59 WeakPolarHBondContact OD1-CB 3.25Å; N57-K59 PolarHBondContact OD1-N 3.48Å
60G76.9Confident88.9Confident29 Ų2939 Ų3930%0.29922%0.219SC..EExtended strand (participates in β ladder)trans115.4-174-175.700000113N57N57-G60 PolarHBondContact N-O 3.03Å; N57-G60 VanDerWaalsContact N-O 3.12Å; N57-G60 PolarHBondContact O-N 3.09Å; N57-G60 PolarHBondContact OD1-N 2.91Å; N57-G60 PolarHBondContact OD1-O 2.88Å
61R88Confident87.9Confident59 Ų5942.1 Ų42.122%0.22325%0.252CS..EExtended strand (participates in β ladder)trans-80.2146.1178.8-61.7-178.7-153.9143.511.7111.4L38 K55 Q56 M81 Y183 M185 E187L38-R61 HydrophobicContact CD1-CG 4.01Å; K55-R61 CarbonylContact O-C 3.44Å; K55-R61 WeakPolarHBondContact O-CA 3.15Å; Q56-R61 HydrophobicContact CB-CG 4.09Å; Q56-R61 HydrophobicContact CG-CG 4.01Å; R61-M81 HydrophobicContact CB-CG 3.93Å; R61-Y183 PolarHBondContact NH1-O 2.96Å; R61-M185 PolarHBondContact NH1-O 3.2Å; R61-E187 IonicContact NH2-OE1 2.69Å
62F92.1Very high86.9Confident33 Ų3341.2 Ų41.215%0.14526%0.264CS..EExtended strand (participates in β ladder)trans-149.7155.6177.567.2-87.1000110.8T35 K55 N57 K64 T78 L79T35-F62 HydrophobicContact CG2-CE1 3.97Å; T35-F62 HydrophobicContact CG2-CZ 3.79Å; K55-F62 HydrophobicContact CB-CD1 4.38Å; K55-F62 HydrophobicContact CB-CD2 4.45Å; K55-F62 HydrophobicContact CB-CE1 3.76Å; K55-F62 HydrophobicContact CB-CE2 3.88Å; K55-F62 HydrophobicContact CB-CZ 3.51Å; K55-F62 HydrophobicContact CD-CE2 4.37Å; K55-F62 HydrophobicContact CD-CZ 4.25Å; K55-F62 HydrophobicContact CG-CE2 4.48Å; K55-F62 HydrophobicContact CG-CZ 4.39Å; K55-F62 PolarHBondContact N-O 2.91Å; K55-F62 WeakPolarHBondContact O-CD1 3.38Å; K55-F62 PolarHBondContact O-N 2.93Å; N57-F62 HydrophobicContact CB-CE1 4.16Å; N57-F62 WeakPolarHBondContact ND2-CE1 3.5Å; F62-K64 HydrophobicContact CE2-CB 4.38Å; F62-T78 HydrophobicContact CD2-CG2 3.63Å; F62-T78 HydrophobicContact CE2-CG2 4.09Å; F62-L79 WeakPolarHBondContact CB-O 3.42Å
63L94.6Very high86.3Confident1 Ų147.1 Ų47.11%0.00530%0.295CS..EExtended strand (participates in β ladder)trans-102128.8176.6-176.472.1000110L52 V54 I65 T78 L79 M81 A84 L176 L179L52-L63 HydrophobicContact CB-CD1 4.26Å; V54-L63 HydrophobicContact CG2-CD1 3.83Å; L63-I65 HydrophobicContact CD2-CD1 4.08Å; L63-I65 HydrophobicContact CD2-CG1 3.99Å; L63-I65 HydrophobicContact CG-CG1 4.15Å; L63-T78 WeakPolarHBondContact O-CA 3.33Å; L63-L79 HydrophobicContact CB-CB 4.49Å; L63-L79 PolarHBondContact N-O 2.69Å; L63-L79 PolarHBondContact O-N 3.1Å; L63-M81 HydrophobicContact CB-SD 4.33Å; L63-A84 HydrophobicContact CD2-CB 4.15Å; L63-L176 HydrophobicContact CD2-CD1 3.3Å; L63-L179 HydrophobicContact CD1-CD1 4.21Å
64K95.8Very high85.9Confident62 Ų6254.4 Ų54.427%0.2733%0.326SS..EExtended strand (participates in β ladder)trans-110119.6172-173.9-175.7176-167.50109.2D53 F62D53-K64 HydrophobicContact CB-CB 4.44Å; D53-K64 PolarHBondContact N-O 3.31Å; D53-K64 PolarHBondContact O-N 2.9Å; F62-K64 HydrophobicContact CE2-CB 4.38Å
65I96.3Very high85.8Confident0 Ų056.6 Ų56.60%034%0.341CS..EExtended strand (participates in β ladder)trans-104.5120.8176.4-55.9164.6000107.7F50 Y51 L52 L63 R76 L77 L79 F87 I162 F172F50-I65 HydrophobicContact CD1-CG2 4.5Å; Y51-I65 CarbonylContact O-C 3.58Å; Y51-I65 VanDerWaalsContact O-CA 3.29Å; Y51-I65 WeakPolarHBondContact O-CA 3.41Å; L52-I65 HydrophobicContact CG-CG1 4.46Å; L63-I65 HydrophobicContact CD2-CD1 4.08Å; L63-I65 HydrophobicContact CD2-CG1 3.99Å; L63-I65 HydrophobicContact CG-CG1 4.15Å; I65-R76 CarbonylContact O-C 3.57Å; I65-R76 VanDerWaalsContact O-CA 3.25Å; I65-R76 WeakPolarHBondContact O-CA 3.14Å; I65-L77 HydrophobicContact CB-CB 4.38Å; I65-L77 HydrophobicContact CD1-CD2 4.44Å; I65-L77 PolarHBondContact N-O 3.3Å; I65-L77 PolarHBondContact O-N 3.12Å; I65-L79 HydrophobicContact CD1-CD1 3.74Å; I65-L79 HydrophobicContact CD1-CG 4.36Å; I65-F87 HydrophobicContact CD1-CE1 4.19Å; I65-I162 HydrophobicContact CB-CD1 4.38Å; I65-I162 HydrophobicContact CD1-CD1 4.49Å; I65-I162 HydrophobicContact CG2-CD1 3.76Å; I65-F172 HydrophobicContact CD1-CE1 4.47Å; I65-F172 HydrophobicContact CD1-CZ 4.05Å; I65-F172 HydrophobicContact CG1-CZ 4.39Å; I65-F172 HydrophobicContact CG2-CE2 4.24Å; I65-F172 HydrophobicContact CG2-CZ 3.89Å
66A95.6Very high85.7Confident21 Ų2161.8 Ų61.817%0.17436%0.36CS..EExtended strand (participates in β ladder)trans-111.9127172.600000110.3F50 Y51 S75F50-A66 CarbonylContact C-O 3.57Å; F50-A66 VanDerWaalsContact CA-O 3.25Å; F50-A66 WeakPolarHBondContact CA-O 3.46Å; Y51-A66 PolarHBondContact N-O 2.98Å; Y51-A66 PolarHBondContact O-N 3.33Å; A66-S75 CarbonylContact C-O 3.51Å; A66-S75 WeakPolarHBondContact CA-O 3.43Å
67E94.7Very high86.1Confident17 Ų1759.8 Ų59.88%0.07935%0.351CS..EExtended strand (participates in β ladder)trans-98.1129.6170.2177.4-174159.100108.9K48 F50 K74 S75 I162 A163K48-E67 HydrophobicContact CD-CG 4.3Å; K48-E67 WeakPolarHBondContact CD-OE1 3.4Å; K48-E67 VanDerWaalsContact CE-OE1 3.3Å; K48-E67 WeakPolarHBondContact CE-OE1 3.36Å; K48-E67 IonicContact NZ-OE1 3.89Å; K48-E67 PolarHBondContact NZ-OE1 2.83Å; F50-E67 HydrophobicContact CD1-CB 3.99Å; F50-E67 HydrophobicContact CD1-CG 4.28Å; F50-E67 HydrophobicContact CE1-CB 3.7Å; F50-E67 HydrophobicContact CE1-CG 3.63Å; F50-E67 HydrophobicContact CZ-CG 3.97Å; E67-K74 WeakPolarHBondContact O-CA 3.46Å; E67-S75 PolarHBondContact N-O 3.33Å; E67-S75 PolarHBondContact O-N 2.79Å; E67-I162 HydrophobicContact CB-CB 4.42Å; E67-I162 HydrophobicContact CB-CG2 4.05Å; E67-I162 WeakPolarHBondContact OE2-CA 3.08Å; E67-I162 WeakPolarHBondContact OE2-CB 3.3Å; E67-A163 PolarHBondContact OE2-N 3.47Å
68V94.1Very high86.6Confident37 Ų3759.1 Ų59.122%0.22435%0.349CS..EExtended strand (participates in β ladder)trans-120111.3170.5-174.40000108.4K48 R49 Y51 K74K48-V68 WeakPolarHBondContact CA-O 3.37Å; R49-V68 HydrophobicContact CB-CB 4.43Å; R49-V68 PolarHBondContact N-O 3.48Å; R49-V68 PolarHBondContact O-N 3.1Å; Y51-V68 HydrophobicContact CD2-CG2 4.19Å; Y51-V68 HydrophobicContact CE2-CG2 3.85Å; V68-K74 HydrophobicContact CG2-CG 4.33Å
69G87.8Confident87.7Confident14 Ų1455.9 Ų55.914%0.14432%0.321CS..EExtended strand (participates in β ladder)trans-84.9162.5176.600000113.2G71 G72 N73G69-G71 PolarHBondContact O-N 3.22Å; G69-G71 VanDerWaalsContact O-N 3.1Å; G69-G72 PolarHBondContact O-N 3.44Å; G69-N73 PolarHBondContact N-O 3.23Å
70A73.8Confident88.8Confident88 Ų8849.4 Ų49.473%0.72730%0.298SS*.THydrogen-bonded Turntrans-53-29.917800000115N47 G72N47-A70 HydrophobicContact CB-CB 4Å; N47-A70 PolarHBondContact O-N 3.16Å; N47-A70 VanDerWaalsContact O-N 3.15Å; A70-G72 VanDerWaalsContact C-N 3.3Å; A70-G72 PolarHBondContact O-N 2.96Å
71G74.9Confident89.4Confident67 Ų6748.5 Ų48.569%0.69129%0.286SS*.THydrogen-bonded Turntrans-86.312.1178.100000114.9G69 N73G69-G71 PolarHBondContact O-N 3.22Å; G69-G71 VanDerWaalsContact O-N 3.1Å; G71-N73 PolarHBondContact O-N 3.08Å
72G76.1Confident89.4Confident50 Ų5048.2 Ų48.252%0.51529%0.293SS..SBendtrans78-2.5-177.300000114.7G69 A70 K74G69-G72 PolarHBondContact O-N 3.44Å; A70-G72 VanDerWaalsContact C-N 3.3Å; A70-G72 PolarHBondContact O-N 2.96Å; G72-K74 PolarHBondContact O-N 2.8Å
73N84.3Confident89.4Confident123 Ų12346.8 Ų46.866%0.65829%0.287SS*.  trans-61.8123.9173.9-67.2-19.6000109.9G69 G71G69-N73 PolarHBondContact N-O 3.23Å; G71-N73 PolarHBondContact O-N 3.08Å
74K89.7Confident89.4Confident170 Ų17046.7 Ų46.774%0.73929%0.287SS*.EExtended strand (participates in β ladder)trans-111127.2177.7-61-176.9-175176.80109.4E67 V68 G72E67-K74 WeakPolarHBondContact O-CA 3.46Å; V68-K74 HydrophobicContact CG2-CG 4.33Å; G72-K74 PolarHBondContact O-N 2.8Å
75S91.3Very high89.2Confident45 Ų4546 Ų4632%0.31529%0.288SS..EExtended strand (participates in β ladder)trans-124.4152.3172.8-58.50000109.1A66 E67 T161A66-S75 CarbonylContact C-O 3.51Å; A66-S75 WeakPolarHBondContact CA-O 3.43Å; E67-S75 PolarHBondContact N-O 3.33Å; E67-S75 PolarHBondContact O-N 2.79Å; S75-T161 WeakPolarHBondContact CB-O 3.21Å
76R92.1Very high89Confident143 Ų14349 Ų4954%0.5430%0.302SS..EExtended strand (participates in β ladder)trans-138.4150.2-179.375.3-179.2-171.8-1720.8110.7I65 Q160I65-R76 CarbonylContact O-C 3.57Å; I65-R76 VanDerWaalsContact O-CA 3.25Å; I65-R76 WeakPolarHBondContact O-CA 3.14Å; R76-Q160 VanDerWaalsContact O-CB 3.26Å; R76-Q160 WeakPolarHBondContact O-CB 3.23Å; R76-Q160 WeakPolarHBondContact O-CG 3.48Å; R76-Q160 PolarHBondContact O-OE1 2.78Å
77L93.1Very high89Confident0 Ų048.3 Ų48.30%030%0.295CS..EExtended strand (participates in β ladder)trans-133.9142.7172.5-176.564.7000108.2I65 L79 Y129 I144 Q146 Q160 I162I65-L77 HydrophobicContact CB-CB 4.38Å; I65-L77 HydrophobicContact CD1-CD2 4.44Å; I65-L77 PolarHBondContact N-O 3.3Å; I65-L77 PolarHBondContact O-N 3.12Å; L77-L79 HydrophobicContact CD1-CD2 4.23Å; L77-L79 HydrophobicContact CD2-CD2 3.89Å; L77-L79 HydrophobicContact CD2-CG 4.4Å; L77-L79 HydrophobicContact CG-CD2 3.77Å; L77-L79 HydrophobicContact CG-CG 4.3Å; L77-Y129 HydrophobicContact CD1-CD1 4.3Å; L77-Y129 HydrophobicContact CD1-CE1 4.08Å; L77-I144 HydrophobicContact CD2-CB 4.33Å; L77-I144 HydrophobicContact CD2-CG2 3.66Å; L77-Q146 HydrophobicContact CD1-CB 3.57Å; L77-Q146 HydrophobicContact CD1-CG 4.47Å; L77-Q160 HydrophobicContact CD1-CB 4.3Å; L77-I162 HydrophobicContact CB-CD1 4.12Å; L77-I162 HydrophobicContact CB-CG1 4.49Å; L77-I162 HydrophobicContact CB-CG2 4.17Å; L77-I162 HydrophobicContact CD2-CD1 3.71Å; L77-I162 HydrophobicContact CD2-CG1 4.09Å
78T91.4Very high89.1Confident32 Ų3250.9 Ų50.920%0.19630%0.304CS..EExtended strand (participates in β ladder)trans-128.3121.8178.1-54.70000109.9F62 L63 Y129 Q146F62-T78 HydrophobicContact CD2-CG2 3.63Å; F62-T78 HydrophobicContact CE2-CG2 4.09Å; L63-T78 WeakPolarHBondContact O-CA 3.33Å; T78-Y129 PolarHBondContact O-OH 2.82Å; T78-Q146 PolarHBondContact O-OE1 3.08Å
79L91.8Very high89.1Confident4 Ų452.7 Ų52.72%0.02131%0.312CS..EExtended strand (participates in β ladder)trans-116.9144.4-175-51.7-176.9000109.6F62 L63 I65 L77 V83 F87 Y129F62-L79 WeakPolarHBondContact CB-O 3.42Å; L63-L79 HydrophobicContact CB-CB 4.49Å; L63-L79 PolarHBondContact N-O 2.69Å; L63-L79 PolarHBondContact O-N 3.1Å; I65-L79 HydrophobicContact CD1-CD1 3.74Å; I65-L79 HydrophobicContact CD1-CG 4.36Å; L77-L79 HydrophobicContact CD1-CD2 4.23Å; L77-L79 HydrophobicContact CD2-CD2 3.89Å; L77-L79 HydrophobicContact CD2-CG 4.4Å; L77-L79 HydrophobicContact CG-CD2 3.77Å; L77-L79 HydrophobicContact CG-CG 4.3Å; L79-V83 HydrophobicContact CB-CB 4.43Å; L79-V83 HydrophobicContact CB-CG1 4.08Å; L79-V83 HydrophobicContact CD1-CG1 4.47Å; L79-V83 HydrophobicContact CD2-CG1 3.84Å; L79-V83 HydrophobicContact CG-CG1 4.34Å; L79-F87 HydrophobicContact CD1-CB 4.5Å; L79-F87 HydrophobicContact CD1-CD1 3.8Å; L79-F87 HydrophobicContact CD1-CE1 4.42Å; L79-F87 HydrophobicContact CD1-CG 4.37Å; L79-Y129 HydrophobicContact CD2-CD1 3.85Å; L79-Y129 HydrophobicContact CD2-CE1 3.26Å
80S90.2Very high89.5Confident42 Ų4254.6 Ų54.629%0.29432%0.315SS..EExtended strand (participates in β ladder)trans-69.2159.6160.660.30000109.4S82 V83 A84S80-S82 VanDerWaalsContact C-N 3.28Å; S80-S82 PolarHBondContact O-N 3.16Å; S80-S82 PolarHBondContact OG-OG 2.81Å; S80-V83 PolarHBondContact O-N 3.49Å; S80-V83 WeakPolarHBondContact OG-CB 3.23Å; S80-V83 VanDerWaalsContact OG-CG2 3.24Å; S80-V83 WeakPolarHBondContact OG-CG2 3.48Å; S80-V83 PolarHBondContact OG-N 3.06Å; S80-A84 PolarHBondContact O-N 3.32Å
81M90.3Very high90.6Very high11 Ų1150.4 Ų50.45%0.05428%0.281CS..Hα-helixtrans-60.1-39.7175.9-68.6-51.6-67.800111.9R61 L63 V83 A84 V85 I180R61-M81 HydrophobicContact CB-CG 3.93Å; L63-M81 HydrophobicContact CB-SD 4.33Å; M81-V83 PolarHBondContact O-N 3.49Å; M81-A84 WeakPolarHBondContact O-CA 3.27Å; M81-A84 VanDerWaalsContact O-CB 3.31Å; M81-A84 WeakPolarHBondContact O-CB 3.48Å; M81-A84 PolarHBondContact O-N 3.42Å; M81-V85 WeakPolarHBondContact O-CG2 3.34Å; M81-V85 PolarHBondContact O-N 3.48Å; M81-I180 HydrophobicContact CE-CG1 4.22Å
82S88.3Confident91.6Very high53 Ų5347.9 Ų47.937%0.37126%0.255SS..Hα-helixtrans-55.7-46.7172.544.40000113.4S80 A84 V85 E86S80-S82 VanDerWaalsContact C-N 3.28Å; S80-S82 PolarHBondContact O-N 3.16Å; S80-S82 PolarHBondContact OG-OG 2.81Å; S82-A84 VanDerWaalsContact C-N 3.28Å; S82-A84 PolarHBondContact O-N 3.19Å; S82-V85 PolarHBondContact O-N 3.38Å; S82-E86 PolarHBondContact O-N 3.27Å
83V91.4Very high92.5Very high2 Ų248.7 Ų48.71%0.01225%0.247CC..Hα-helixtrans-67.2-31.6176.5166.80000111.2L79 S80 M81 F87 L122 R124 Y129L79-V83 HydrophobicContact CB-CB 4.43Å; L79-V83 HydrophobicContact CB-CG1 4.08Å; L79-V83 HydrophobicContact CD1-CG1 4.47Å; L79-V83 HydrophobicContact CD2-CG1 3.84Å; L79-V83 HydrophobicContact CG-CG1 4.34Å; S80-V83 PolarHBondContact O-N 3.49Å; S80-V83 WeakPolarHBondContact OG-CB 3.23Å; S80-V83 VanDerWaalsContact OG-CG2 3.24Å; S80-V83 WeakPolarHBondContact OG-CG2 3.48Å; S80-V83 PolarHBondContact OG-N 3.06Å; M81-V83 PolarHBondContact O-N 3.49Å; V83-F87 WeakPolarHBondContact O-CB 3.47Å; V83-F87 PolarHBondContact O-N 3.2Å; V83-L122 HydrophobicContact CB-CD2 4.3Å; V83-L122 HydrophobicContact CG1-CD2 3.74Å; V83-L122 HydrophobicContact CG2-CD2 4.23Å; V83-R124 HydrophobicContact CG2-CB 3.7Å; V83-R124 HydrophobicContact CG2-CG 3.77Å; V83-Y129 HydrophobicContact CG1-CD2 4.26Å; V83-Y129 HydrophobicContact CG1-CE2 3.97Å; V83-Y129 HydrophobicContact CG2-CE2 4.29Å
84A93.8Very high93.1Very high0 Ų042.9 Ų42.90%022%0.216CC..Hα-helixtrans-66.1-37.4176.500000112.2L63 S80 M81 S82 F87 R88 L176 I180L63-A84 HydrophobicContact CD2-CB 4.15Å; S80-A84 PolarHBondContact O-N 3.32Å; M81-A84 WeakPolarHBondContact O-CA 3.27Å; M81-A84 VanDerWaalsContact O-CB 3.31Å; M81-A84 WeakPolarHBondContact O-CB 3.48Å; M81-A84 PolarHBondContact O-N 3.42Å; S82-A84 VanDerWaalsContact C-N 3.28Å; S82-A84 PolarHBondContact O-N 3.19Å; A84-F87 PolarHBondContact O-N 2.98Å; A84-R88 PolarHBondContact O-N 3.43Å; A84-L176 HydrophobicContact CB-CD1 4.29Å; A84-I180 HydrophobicContact CB-CD1 4.21Å; A84-I180 HydrophobicContact CB-CG1 4.42Å; A84-I180 WeakPolarHBondContact O-CD1 3.35Å
85V91.9Very high93.4Very high48 Ų4835.7 Ų35.729%0.29119%0.186SC..Hα-helixtrans-60.9-54.4173.6179.10000110.7M81 S82 F87 R88 D89 I180M81-V85 WeakPolarHBondContact O-CG2 3.34Å; M81-V85 PolarHBondContact O-N 3.48Å; S82-V85 PolarHBondContact O-N 3.38Å; V85-F87 VanDerWaalsContact C-N 3.25Å; V85-F87 PolarHBondContact O-N 3.41Å; V85-R88 WeakPolarHBondContact O-CB 3.45Å; V85-R88 PolarHBondContact O-N 3.08Å; V85-R88 VanDerWaalsContact O-N 3.08Å; V85-D89 PolarHBondContact O-N 3.21Å; V85-D89 VanDerWaalsContact O-N 3.16Å; V85-I180 HydrophobicContact CG2-CD1 4.41Å; V85-I180 HydrophobicContact CG2-CG2 3.78Å
86E93.4Very high93.6Very high63 Ų6339.7 Ų39.729%0.29420%0.199SC..Hα-helixtrans-60.3-39.7178.5-64-177.2-10700111S82 R88 D89 Y90 L122S82-E86 PolarHBondContact O-N 3.27Å; E86-R88 VanDerWaalsContact C-N 3.34Å; E86-R88 PolarHBondContact O-N 2.86Å; E86-D89 PolarHBondContact O-N 2.81Å; E86-Y90 HydrophobicContact CB-CE2 4.4Å; E86-Y90 WeakPolarHBondContact O-CD2 3.12Å; E86-Y90 PolarHBondContact O-N 3.46Å; E86-L122 HydrophobicContact CB-CD2 3.95Å; E86-L122 WeakPolarHBondContact OE2-CD1 3.29Å
87F94.8Very high93.6Very high6 Ų635.3 Ų35.33%0.02619%0.185CC..Hα-helixtrans-62.3-38.6176.4-179-132.1000112.8I65 L79 V83 A84 V85 D89 Y90 L91 M131 I144 F172 L176I65-F87 HydrophobicContact CD1-CE1 4.19Å; L79-F87 HydrophobicContact CD1-CB 4.5Å; L79-F87 HydrophobicContact CD1-CD1 3.8Å; L79-F87 HydrophobicContact CD1-CE1 4.42Å; L79-F87 HydrophobicContact CD1-CG 4.37Å; V83-F87 WeakPolarHBondContact O-CB 3.47Å; V83-F87 PolarHBondContact O-N 3.2Å; A84-F87 PolarHBondContact O-N 2.98Å; V85-F87 VanDerWaalsContact C-N 3.25Å; V85-F87 PolarHBondContact O-N 3.41Å; F87-D89 VanDerWaalsContact C-N 3.31Å; F87-D89 PolarHBondContact O-N 2.87Å; F87-Y90 PolarHBondContact O-N 3.46Å; F87-L91 HydrophobicContact CD1-CD1 4.35Å; F87-L91 HydrophobicContact CD2-CG 4.31Å; F87-L91 HydrophobicContact CE1-CD1 4.01Å; F87-L91 HydrophobicContact CE2-CD1 4.32Å; F87-L91 HydrophobicContact CE2-CD2 4.01Å; F87-L91 HydrophobicContact CE2-CG 3.95Å; F87-L91 HydrophobicContact CZ-CD1 3.98Å; F87-L91 HydrophobicContact CZ-CD2 4.02Å; F87-L91 HydrophobicContact CZ-CG 4.06Å; F87-L91 VanDerWaalsContact O-CG 3.31Å; F87-L91 WeakPolarHBondContact O-CG 3.45Å; F87-L91 PolarHBondContact O-N 3.1Å; F87-M131 HydrophobicContact CD2-SD 3.6Å; F87-M131 HydrophobicContact CE2-SD 3.84Å; F87-I144 HydrophobicContact CE2-CD1 4.19Å; F87-I144 HydrophobicContact CE2-CG1 3.88Å; F87-I144 HydrophobicContact CZ-CD1 3.89Å; F87-I144 HydrophobicContact CZ-CG1 4.01Å; F87-F172 AromaticContact CE1-CE1 3.85Å; F87-F172 HydrophobicContact CE1-CE1 3.85Å; F87-F172 HydrophobicContact CZ-CE1 4.44Å; F87-L176 HydrophobicContact CD1-CD2 3.65Å; F87-L176 HydrophobicContact CE1-CD2 4.2Å; F87-L176 HydrophobicContact CG-CD2 4.44Å
88R95.9Very high93.6Very high70 Ų7038.2 Ų38.226%0.26420%0.196SC..Hα-helixtrans-60-42.8173.9-176.8-78.9-55.1-103.83.5111.1A84 V85 E86 L91 G92 R173 L176 A177 I180A84-R88 PolarHBondContact O-N 3.43Å; V85-R88 WeakPolarHBondContact O-CB 3.45Å; V85-R88 PolarHBondContact O-N 3.08Å; V85-R88 VanDerWaalsContact O-N 3.08Å; E86-R88 VanDerWaalsContact C-N 3.34Å; E86-R88 PolarHBondContact O-N 2.86Å; R88-L91 WeakPolarHBondContact O-CB 3.2Å; R88-L91 PolarHBondContact O-N 2.88Å; R88-G92 PolarHBondContact O-N 2.91Å; R88-R173 HydrophobicContact CG-CG 4.15Å; R88-L176 HydrophobicContact CB-CD2 3.9Å; R88-L176 HydrophobicContact CB-CG 4.25Å; R88-A177 HydrophobicContact CG-CB 4.09Å; R88-I180 HydrophobicContact CB-CD1 3.96Å; R88-I180 HydrophobicContact CG-CD1 4.42Å
89D95.1Very high93.6Very high75 Ų7540.6 Ų40.640%0.40122%0.219SC..Hα-helixtrans-66.7-47.6179.8-59-21.4000110.8V85 E86 F87 L91 G92 D93V85-D89 PolarHBondContact O-N 3.21Å; V85-D89 VanDerWaalsContact O-N 3.16Å; E86-D89 PolarHBondContact O-N 2.81Å; F87-D89 VanDerWaalsContact C-N 3.31Å; F87-D89 PolarHBondContact O-N 2.87Å; D89-L91 VanDerWaalsContact C-N 3.28Å; D89-L91 PolarHBondContact O-N 3.4Å; D89-G92 WeakPolarHBondContact O-CA 3.34Å; D89-G92 PolarHBondContact O-N 3.37Å; D89-D93 PolarHBondContact O-N 3.03Å
90Y96.1Very high93.6Very high55 Ų5547.9 Ų47.922%0.21625%0.253CS..Hα-helixtrans-59.2-36.5174.5-76-63.6000112.9E86 F87 G92 D93 F94 E120 L122 M131E86-Y90 HydrophobicContact CB-CE2 4.4Å; E86-Y90 WeakPolarHBondContact O-CD2 3.12Å; E86-Y90 PolarHBondContact O-N 3.46Å; F87-Y90 PolarHBondContact O-N 3.46Å; Y90-G92 PolarHBondContact O-N 2.81Å; Y90-D93 PolarHBondContact O-N 3.47Å; Y90-D93 VanDerWaalsContact O-N 3.17Å; Y90-F94 WeakPolarHBondContact O-CD2 3.23Å; Y90-F94 PolarHBondContact O-N 3.02Å; Y90-E120 HydrophobicContact CD1-CB 4.06Å; Y90-E120 HydrophobicContact CD1-CG 3.97Å; Y90-E120 HydrophobicContact CE1-CB 4.16Å; Y90-E120 HydrophobicContact CE1-CG 4.18Å; Y90-L122 HydrophobicContact CE2-CB 4.38Å; Y90-M131 HydrophobicContact CD1-CE 4.33Å; Y90-M131 HydrophobicContact CD2-CE 3.63Å; Y90-M131 HydrophobicContact CD2-SD 4.48Å; Y90-M131 HydrophobicContact CE2-CE 4.11Å; Y90-M131 HydrophobicContact CG-CE 3.77Å; Y90-M131 HydrophobicContact CG-SD 4.45Å
91L96.3Very high93.4Very high0 Ų048 Ų480%025%0.25CS..Hα-helixtrans-59.4-37.7173.5-75.5173.3000111.3F87 R88 D89 F94 I95 L142 L169 F172 R173 L176F87-L91 HydrophobicContact CD1-CD1 4.35Å; F87-L91 HydrophobicContact CD2-CG 4.31Å; F87-L91 HydrophobicContact CE1-CD1 4.01Å; F87-L91 HydrophobicContact CE2-CD1 4.32Å; F87-L91 HydrophobicContact CE2-CD2 4.01Å; F87-L91 HydrophobicContact CE2-CG 3.95Å; F87-L91 HydrophobicContact CZ-CD1 3.98Å; F87-L91 HydrophobicContact CZ-CD2 4.02Å; F87-L91 HydrophobicContact CZ-CG 4.06Å; F87-L91 VanDerWaalsContact O-CG 3.31Å; F87-L91 WeakPolarHBondContact O-CG 3.45Å; F87-L91 PolarHBondContact O-N 3.1Å; R88-L91 WeakPolarHBondContact O-CB 3.2Å; R88-L91 PolarHBondContact O-N 2.88Å; D89-L91 VanDerWaalsContact C-N 3.28Å; D89-L91 PolarHBondContact O-N 3.4Å; L91-F94 PolarHBondContact O-N 3.04Å; L91-I95 WeakPolarHBondContact O-CB 3.12Å; L91-I95 VanDerWaalsContact O-CD1 3.25Å; L91-I95 WeakPolarHBondContact O-CD1 3.35Å; L91-I95 WeakPolarHBondContact O-CG1 3.03Å; L91-I95 PolarHBondContact O-N 3.42Å; L91-L142 HydrophobicContact CD2-CD2 3.58Å; L91-L169 HydrophobicContact CD2-CD2 3.85Å; L91-F172 HydrophobicContact CD1-CD1 3.81Å; L91-F172 HydrophobicContact CD1-CE1 4.33Å; L91-R173 HydrophobicContact CB-CB 4.17Å; L91-R173 HydrophobicContact CB-CG 4.21Å; L91-R173 HydrophobicContact CD1-CB 4.24Å; L91-L176 HydrophobicContact CD1-CD2 4.06Å
92G95.8Very high92.8Very high14 Ų1449.7 Ų49.714%0.14427%0.27CS..Hα-helixtrans-55.2-53.1170.500000111.9R88 D89 Y90 F94 I95 E96R88-G92 PolarHBondContact O-N 2.91Å; D89-G92 WeakPolarHBondContact O-CA 3.34Å; D89-G92 PolarHBondContact O-N 3.37Å; Y90-G92 PolarHBondContact O-N 2.81Å; G92-F94 VanDerWaalsContact C-N 3.27Å; G92-F94 PolarHBondContact O-N 3.41Å; G92-I95 WeakPolarHBondContact O-CB 3.34Å; G92-I95 PolarHBondContact O-N 3.46Å; G92-E96 PolarHBondContact O-N 2.78Å
93D96.1Very high92.2Very high67 Ų6752.9 Ų52.936%0.35829%0.29SS..Hα-helixtrans-62.2-32.6180-58.7-20.7000113.2D89 Y90 H97 K118D89-D93 PolarHBondContact O-N 3.03Å; Y90-D93 PolarHBondContact O-N 3.47Å; Y90-D93 VanDerWaalsContact O-N 3.17Å; D93-H97 WeakPolarHBondContact O-CB 3.42Å; D93-H97 PolarHBondContact O-N 2.81Å; D93-K118 PolarHBondContact O-NZ 3.07Å
94F96.3Very high91.1Very high0 Ų055.9 Ų55.90%031%0.311CS..Hα-helixtrans-73.3-37.1174.7-80.2-67.6000112.1Y90 L91 G92 Y98 K118 E120 M131 L133 L142Y90-F94 WeakPolarHBondContact O-CD2 3.23Å; Y90-F94 PolarHBondContact O-N 3.02Å; L91-F94 PolarHBondContact O-N 3.04Å; G92-F94 VanDerWaalsContact C-N 3.27Å; G92-F94 PolarHBondContact O-N 3.41Å; F94-Y98 VanDerWaalsContact O-CB 3.23Å; F94-Y98 WeakPolarHBondContact O-CB 3.49Å; F94-Y98 PolarHBondContact O-N 2.68Å; F94-K118 HydrophobicContact CD1-CB 4.18Å; F94-K118 HydrophobicContact CD1-CD 3.85Å; F94-K118 HydrophobicContact CD1-CG 4.04Å; F94-K118 HydrophobicContact CE1-CB 3.8Å; F94-K118 HydrophobicContact CE1-CD 3.89Å; F94-K118 HydrophobicContact CE1-CG 3.58Å; F94-K118 HydrophobicContact CZ-CG 4.38Å; F94-E120 HydrophobicContact CE2-CB 4.07Å; F94-E120 HydrophobicContact CE2-CG 4.03Å; F94-E120 HydrophobicContact CZ-CB 3.86Å; F94-E120 HydrophobicContact CZ-CG 3.75Å; F94-M131 HydrophobicContact CE2-CB 3.76Å; F94-M131 HydrophobicContact CE2-SD 4.38Å; F94-M131 HydrophobicContact CZ-CB 3.84Å; F94-M131 WeakPolarHBondContact CZ-O 3.33Å; F94-L133 HydrophobicContact CD1-CB 3.86Å; F94-L133 HydrophobicContact CD1-CD2 4.44Å; F94-L133 HydrophobicContact CE1-CB 3.91Å; F94-L142 HydrophobicContact CD1-CD1 3.92Å; F94-L142 HydrophobicContact CD2-CD1 4.02Å; F94-L142 HydrophobicContact CD2-CD2 4.05Å; F94-L142 HydrophobicContact CE1-CD1 3.78Å; F94-L142 HydrophobicContact CE2-CD1 3.93Å; F94-L142 HydrophobicContact CE2-CD2 4.48Å; F94-L142 HydrophobicContact CG-CD1 4.05Å; F94-L142 HydrophobicContact CG-CD2 4.36Å; F94-L142 HydrophobicContact CZ-CD1 3.81Å
95I95.4Very high89.7Confident20 Ų2060.4 Ų60.410%0.10334%0.335CS..Hα-helixtrans-64.6-46.2176.4-71.3157.7000110.1L91 G92 H97 Y98 A99 L169 I170 R173L91-I95 WeakPolarHBondContact O-CB 3.12Å; L91-I95 VanDerWaalsContact O-CD1 3.25Å; L91-I95 WeakPolarHBondContact O-CD1 3.35Å; L91-I95 WeakPolarHBondContact O-CG1 3.03Å; L91-I95 PolarHBondContact O-N 3.42Å; G92-I95 WeakPolarHBondContact O-CB 3.34Å; G92-I95 PolarHBondContact O-N 3.46Å; I95-H97 PolarHBondContact O-N 2.86Å; I95-Y98 PolarHBondContact O-N 2.98Å; I95-A99 WeakPolarHBondContact O-CB 3.27Å; I95-A99 PolarHBondContact O-N 3.36Å; I95-L169 HydrophobicContact CD1-CB 4.15Å; I95-L169 HydrophobicContact CG1-CB 3.64Å; I95-I170 HydrophobicContact CD1-CB 4.49Å; I95-I170 HydrophobicContact CD1-CG1 3.92Å; I95-I170 HydrophobicContact CG1-CG1 4.07Å; I95-I170 HydrophobicContact CG2-CD1 4.16Å; I95-I170 HydrophobicContact CG2-CG1 3.78Å; I95-R173 HydrophobicContact CD1-CB 4.07Å; I95-R173 HydrophobicContact CD1-CG 4.47Å
96E95.5Very high88.2Confident128 Ų12862.5 Ų62.560%0.59835%0.349SS*.Hα-helixtrans-60.5-46.4177.5-71.2-179-175.500111.7G92 Y98 A99 Q100G92-E96 PolarHBondContact O-N 2.78Å; E96-Y98 PolarHBondContact O-N 3.33Å; E96-A99 PolarHBondContact O-N 3.01Å; E96-Q100 WeakPolarHBondContact O-CG 3.3Å; E96-Q100 PolarHBondContact O-N 2.96Å
97H93.8Very high86.6Confident51 Ų5166.3 Ų66.324%0.23637%0.372CS..Hα-helixtrans-62.5-43.8175.5-175.271.4000111.4D93 I95 A99 Q100 L101 K118D93-H97 WeakPolarHBondContact O-CB 3.42Å; D93-H97 PolarHBondContact O-N 2.81Å; I95-H97 PolarHBondContact O-N 2.86Å; H97-A99 VanDerWaalsContact C-N 3.3Å; H97-A99 PolarHBondContact O-N 2.99Å; H97-Q100 PolarHBondContact O-N 3.31Å; H97-Q100 VanDerWaalsContact O-N 3.13Å; H97-L101 WeakPolarHBondContact O-CG 3.29Å; H97-L101 PolarHBondContact O-N 2.81Å; H97-K118 HydrophobicContact CB-CD 3.83Å
98Y92.4Very high84.8Confident62 Ų6271.8 Ų71.824%0.24340%0.4CS..Hα-helixtrans-61.1-36.7178.1175.2-110.1000112.7F94 I95 E96 Q100 L101 R140 A166F94-Y98 VanDerWaalsContact O-CB 3.23Å; F94-Y98 WeakPolarHBondContact O-CB 3.49Å; F94-Y98 PolarHBondContact O-N 2.68Å; I95-Y98 PolarHBondContact O-N 2.98Å; E96-Y98 PolarHBondContact O-N 3.33Å; Y98-Q100 VanDerWaalsContact C-N 3.26Å; Y98-Q100 PolarHBondContact O-N 2.88Å; Y98-L101 HydrophobicContact CD2-CD1 4.33Å; Y98-L101 WeakPolarHBondContact O-CB 3.45Å; Y98-L101 PolarHBondContact O-N 2.89Å; Y98-R140 HydrophobicContact CE2-CB 4.14Å; Y98-R140 HydrophobicContact CE2-CG 4.48Å; Y98-A166 HydrophobicContact CD2-CB 3.81Å; Y98-A166 HydrophobicContact CE1-CB 4.3Å; Y98-A166 HydrophobicContact CE2-CB 3.57Å; Y98-A166 HydrophobicContact CG-CB 4.29Å
99A91.7Very high82.9Confident82 Ų8271 Ų7168%0.67840%0.403SS*.Hα-helixtrans-66.6-26.2176.900000113.2I95 E96 H97I95-A99 WeakPolarHBondContact O-CB 3.27Å; I95-A99 PolarHBondContact O-N 3.36Å; E96-A99 PolarHBondContact O-N 3.01Å; H97-A99 VanDerWaalsContact C-N 3.3Å; H97-A99 PolarHBondContact O-N 2.99Å
100Q90.8Very high80.9Confident156 Ų15675.2 Ų75.273%0.72942%0.42SS*.Hα-helixtrans-83.5-15.4176.1-64.71718.600112.9E96 H97 Y98 G102E96-Q100 WeakPolarHBondContact O-CG 3.3Å; E96-Q100 PolarHBondContact O-N 2.96Å; H97-Q100 PolarHBondContact O-N 3.31Å; H97-Q100 VanDerWaalsContact O-N 3.13Å; Y98-Q100 VanDerWaalsContact C-N 3.26Å; Y98-Q100 PolarHBondContact O-N 2.88Å; Q100-G102 PolarHBondContact O-N 3.3Å
101L86.2Confident78.7Confident46 Ų4680.2 Ų80.224%0.24145%0.451CS..SBendtrans-76.4124.4178.4-63.2174.2000110H97 Y98 L117 L133H97-L101 WeakPolarHBondContact O-CG 3.29Å; H97-L101 PolarHBondContact O-N 2.81Å; Y98-L101 HydrophobicContact CD2-CD1 4.33Å; Y98-L101 WeakPolarHBondContact O-CB 3.45Å; Y98-L101 PolarHBondContact O-N 2.89Å; L101-L117 HydrophobicContact CD1-CD1 3.84Å; L101-L133 HydrophobicContact CD1-CD2 4.17Å
102G78.8Confident76.4Confident46 Ų4686.7 Ų86.747%0.47448%0.481SS..  trans-62.5-177.7172.500000114Q100 R140Q100-G102 PolarHBondContact O-N 3.3Å; G102-R140 PolarHBondContact O-NH1 3.26Å; G102-R140 PolarHBondContact O-NH2 3.24Å
103P75.5Confident74.3Confident119 Ų11991.4 Ų91.477%0.77351%0.509SS*.SBendtrans-54.4143.4179.920.5-30.1000111.8N105P103-N105 PolarHBondContact O-N 3.36Å
104S67.9Low72.8Confident65 Ų6598.6 Ų98.646%0.45553%0.531SS..  trans-60.3124.2179.1-40.10000109.8P106 E135S104-P106 VanDerWaalsContact O-CD 3.3Å; S104-P106 WeakPolarHBondContact O-CD 3.35Å; S104-E135 VanDerWaalsContact CA-OE1 3.32Å; S104-E135 WeakPolarHBondContact CA-OE1 3.31Å; S104-E135 VanDerWaalsContact CB-OE1 3.26Å; S104-E135 WeakPolarHBondContact CB-OE1 3.47Å
105N63Low71.7Confident95 Ų95108.4 Ų108.451%0.50857%0.568SS.*  trans-99.1103.2177.4-91.2-8.2000109.5P103 D107 I108P103-N105 PolarHBondContact O-N 3.36Å; N105-D107 VanDerWaalsContact C-N 3.25Å; N105-D107 PolarHBondContact O-N 3.03Å; N105-I108 HydrophobicContact CB-CD1 3.82Å; N105-I108 HydrophobicContact CB-CG1 4.17Å
106P60.6Low71.2Confident92 Ų92108.5 Ų108.560%0.59757%0.572SS**G310 helixtrans-67.3-24-175.927.1-34.1000113.4S104S104-P106 VanDerWaalsContact O-CD 3.3Å; S104-P106 WeakPolarHBondContact O-CD 3.35Å
107D59.6Low70.8Confident144 Ų144105.8 Ų105.877%0.7756%0.562SS**G310 helixtrans-76.3-24.6-175.1-66.3-34.1000113.9N105 V109N105-D107 VanDerWaalsContact C-N 3.25Å; N105-D107 PolarHBondContact O-N 3.03Å; D107-V109 VanDerWaalsContact C-N 3.27Å; D107-V109 PolarHBondContact O-N 2.94Å
108I57.3Low70.8Confident120 Ų120105.6 Ų105.662%0.61556%0.56SS**G310 helixtrans-78.8-14.5-179.3-58.2173.8000111.4N105 Q110N105-I108 HydrophobicContact CB-CD1 3.82Å; N105-I108 HydrophobicContact CB-CG1 4.17Å; I108-Q110 VanDerWaalsContact C-N 3.29Å; I108-Q110 PolarHBondContact O-N 3.12Å
109V55.7Low70.9Confident53 Ų53105.7 Ų105.732%0.32157%0.57SS.*G310 helixtrans-79.1-8.1-170-166.60000113D107D107-V109 VanDerWaalsContact C-N 3.27Å; D107-V109 PolarHBondContact O-N 2.94Å
110Q53.4Low71Confident165 Ų165104.8 Ų104.877%0.77155%0.552SS**G310 helixtrans-85.2-28-174.9-74.2-172.7-1.800115.1I108I108-Q110 VanDerWaalsContact C-N 3.29Å; I108-Q110 PolarHBondContact O-N 3.12Å
111D49.7Very low71.1Confident160 Ų160102.8 Ų102.886%0.85654%0.541SS*.THydrogen-bonded Turntrans-110.9-13.7-163.7-104.6-18.4000116.8
112E49.4Very low71.2Confident135 Ų135101.1 Ų101.163%0.63153%0.532SS*.SBendtrans-112.3147.1-175.7-87.3-100.2145.800112.9R114E112-R114 VanDerWaalsContact C-N 3.29Å; E112-R114 PolarHBondContact O-N 3.04Å
113P51.9Low71.6Confident113 Ų113102.8 Ų102.873%0.73453%0.532SS*.  trans-69.278-178.628.8-34.7000112.3R115P113-R115 PolarHBondContact O-N 2.86Å
114R64Low72Confident218 Ų218102.7 Ų102.782%0.82352%0.517SS*.  trans26.949.4165.8-63.4-178.8-179.4153.40.5115.2E112 K134E112-R114 VanDerWaalsContact C-N 3.29Å; E112-R114 PolarHBondContact O-N 3.04Å; R114-K134 PolarHBondContact O-NZ 3.16Å; R114-K134 VanDerWaalsContact O-NZ 3.1Å
115R72.6Confident72.6Confident206 Ų206107.6 Ų107.678%0.77753%0.533SS*.  trans-66.4140.2-177.9-164.3173.5-178.4-178.9-0.6108.4P113P113-R115 PolarHBondContact O-N 2.86Å
116A84.6Confident73.5Confident23 Ų23106.9 Ų106.919%0.1953%0.529CS..  trans-68.5135.9173.100000108.8K118 S119 D132 L133 K134A116-K118 VanDerWaalsContact C-N 3.29Å; A116-S119 WeakPolarHBondContact CB-OG 3.15Å; A116-D132 HydrophobicContact CB-CB 3.94Å; A116-L133 CarbonylContact C-O 3.49Å; A116-L133 WeakPolarHBondContact CA-O 3.49Å; A116-K134 HydrophobicContact CB-CG 4.34Å
117L88.5Confident74.7Confident71 Ų71106.6 Ų106.637%0.37252%0.516SS..SBendtrans-64.4-39.5173-61.4175.7000110.4L101 L133 E135 R140L101-L117 HydrophobicContact CD1-CD1 3.84Å; L117-L133 HydrophobicContact CB-CD2 4.42Å; L117-L133 HydrophobicContact CB-CG 4.41Å; L117-L133 HydrophobicContact CD1-CG 4.43Å; L117-L133 PolarHBondContact N-O 2.8Å; L117-E135 HydrophobicContact CD1-CB 4.1Å; L117-R140 HydrophobicContact CD1-CG 4.23Å
118K92.5Very high76.2Confident46 Ų46102 Ų10220%0.249%0.489CS..EExtended strand (participates in β ladder)trans-145.2139.6171.1-178.4171.8174170.20108.5D93 F94 H97 A116 L133D93-K118 PolarHBondContact O-NZ 3.07Å; F94-K118 HydrophobicContact CD1-CB 4.18Å; F94-K118 HydrophobicContact CD1-CD 3.85Å; F94-K118 HydrophobicContact CD1-CG 4.04Å; F94-K118 HydrophobicContact CE1-CB 3.8Å; F94-K118 HydrophobicContact CE1-CD 3.89Å; F94-K118 HydrophobicContact CE1-CG 3.58Å; F94-K118 HydrophobicContact CZ-CG 4.38Å; H97-K118 HydrophobicContact CB-CD 3.83Å; A116-K118 VanDerWaalsContact C-N 3.29Å; K118-L133 HydrophobicContact CB-CB 4.32Å; K118-L133 PolarHBondContact O-N 2.81Å
119S94.5Very high77.9Confident64 Ų6496.8 Ų96.845%0.44846%0.461SS..EExtended strand (participates in β ladder)trans-130.9131.9176.1-78.80000109.8A116 M131 D132A116-S119 WeakPolarHBondContact CB-OG 3.15Å; S119-M131 CarbonylContact C-O 3.51Å; S119-M131 VanDerWaalsContact CA-O 3.3Å; S119-M131 WeakPolarHBondContact CA-O 3.14Å; S119-D132 PolarHBondContact OG-OD1 3.2Å
120E95.5Very high79.8Confident64 Ų6497.2 Ų97.230%0.29946%0.458SS..EExtended strand (participates in β ladder)trans-127.7159.3171.9-67.4-60.616200109.6Y90 F94 M131Y90-E120 HydrophobicContact CD1-CB 4.06Å; Y90-E120 HydrophobicContact CD1-CG 3.97Å; Y90-E120 HydrophobicContact CE1-CB 4.16Å; Y90-E120 HydrophobicContact CE1-CG 4.18Å; F94-E120 HydrophobicContact CE2-CB 4.07Å; F94-E120 HydrophobicContact CE2-CG 4.03Å; F94-E120 HydrophobicContact CZ-CB 3.86Å; F94-E120 HydrophobicContact CZ-CG 3.75Å; E120-M131 HydrophobicContact CB-CB 4.47Å; E120-M131 HydrophobicContact CB-CE 3.97Å; E120-M131 PolarHBondContact N-O 2.64Å; E120-M131 PolarHBondContact O-N 3.15Å
121F92.5Very high81.8Confident114 Ų11489.4 Ų89.450%0.542%0.421SS..EExtended strand (participates in β ladder)trans-142.8148171.470.9-89.2000112.4V123 K128 Y129 Y130F121-V123 HydrophobicContact CD2-CG2 3.95Å; F121-V123 HydrophobicContact CE2-CG2 4.1Å; F121-K128 HydrophobicContact CD2-CD 4.49Å; F121-K128 VanDerWaalsContact CD2-CE 3.45Å; F121-Y129 CarbonylContact C-O 3.53Å; F121-Y129 WeakPolarHBondContact CA-O 3.02Å; F121-Y129 WeakPolarHBondContact CB-O 3.45Å; F121-Y130 HydrophobicContact CB-CD1 4.27Å
122L88.8Confident84Confident10 Ų1082.7 Ų82.75%0.05239%0.385CS..EExtended strand (participates in β ladder)trans-122.9133.9176.417261.4000109.3V83 E86 Y90 K128 Y129 M131V83-L122 HydrophobicContact CB-CD2 4.3Å; V83-L122 HydrophobicContact CG1-CD2 3.74Å; V83-L122 HydrophobicContact CG2-CD2 4.23Å; E86-L122 HydrophobicContact CB-CD2 3.95Å; E86-L122 WeakPolarHBondContact OE2-CD1 3.29Å; Y90-L122 HydrophobicContact CE2-CB 4.38Å; L122-K128 CarbonylContact O-C 3.51Å; L122-K128 WeakPolarHBondContact O-CA 3.49Å; L122-Y129 HydrophobicContact CG-CD2 4.48Å; L122-Y129 PolarHBondContact N-O 2.87Å; L122-Y129 PolarHBondContact O-N 3.19Å; L122-M131 HydrophobicContact CB-CE 4.38Å
123V87.1Confident86.2Confident81 Ų8176.2 Ų76.249%0.49136%0.355SS..EExtended strand (participates in β ladder)trans-115.5124.9174.7-176.60000108.9F121 R127 K128F121-V123 HydrophobicContact CD2-CG2 3.95Å; F121-V123 HydrophobicContact CE2-CG2 4.1Å; V123-R127 WeakPolarHBondContact CA-O 3.2Å; V123-K128 HydrophobicContact CG2-CB 4.42Å; V123-K128 HydrophobicContact CG2-CD 3.94Å; V123-K128 HydrophobicContact CG2-CG 3.96Å
124R82.9Confident88.2Confident118 Ų11872.4 Ų72.445%0.44533%0.327SS..EExtended strand (participates in β ladder)trans-137.4124.5173.1-166.472.7-175.3177.4-0.9109.4V83 N126 R127V83-R124 HydrophobicContact CG2-CB 3.7Å; V83-R124 HydrophobicContact CG2-CG 3.77Å; R124-N126 PolarHBondContact O-N 2.91Å; R124-R127 PolarHBondContact N-O 3.05Å; R124-R127 WeakPolarHBondContact O-CB 3.4Å; R124-R127 PolarHBondContact O-N 2.89Å; R124-R127 VanDerWaalsContact O-O 3.14Å
125E81.4Confident89.4Confident168 Ų16864.1 Ų64.179%0.78530%0.298SS*.THydrogen-bonded Turntrans52.6-119.3-175.7-58.5172.6-179.800111.3
126N81.1Confident89.9Confident80 Ų8057.1 Ų57.143%0.42828%0.276SS..THydrogen-bonded Turntrans-101.318.4176.369.3-22.2000113.3R124 V148 N149R124-N126 PolarHBondContact O-N 2.91Å; N126-V148 WeakPolarHBondContact O-CA 3.03Å; N126-N149 PolarHBondContact O-N 3.3Å
127R86.7Confident89.9Confident86 Ų8664.5 Ų64.533%0.32531%0.306SS..EExtended strand (participates in β ladder)trans-115.5138.6-179.3-57.3-174.8179.7-1564.3110.5V123 R124 Y129 Q146 T147 V148V123-R127 WeakPolarHBondContact CA-O 3.2Å; R124-R127 PolarHBondContact N-O 3.05Å; R124-R127 WeakPolarHBondContact O-CB 3.4Å; R124-R127 PolarHBondContact O-N 2.89Å; R124-R127 VanDerWaalsContact O-O 3.14Å; R127-Y129 HydrophobicContact CB-CE2 3.83Å; R127-Y129 WeakPolarHBondContact CD-OH 3.46Å; R127-Q146 VanDerWaalsContact NH1-NE2 3.18Å; R127-T147 WeakPolarHBondContact CA-O 3.31Å; R127-V148 HydrophobicContact CG-CG2 4.41Å
128K90.6Very high89.6Confident47 Ų4769.4 Ų69.420%0.20432%0.32CS..EExtended strand (participates in β ladder)trans-123.2127.8172.5-173.7164.1177.7-1680109.6F121 L122 V123 Y130 Q146 T147F121-K128 HydrophobicContact CD2-CD 4.49Å; F121-K128 VanDerWaalsContact CD2-CE 3.45Å; L122-K128 CarbonylContact O-C 3.51Å; L122-K128 WeakPolarHBondContact O-CA 3.49Å; V123-K128 HydrophobicContact CG2-CB 4.42Å; V123-K128 HydrophobicContact CG2-CD 3.94Å; V123-K128 HydrophobicContact CG2-CG 3.96Å; K128-Y130 HydrophobicContact CB-CE2 4.21Å; K128-Y130 HydrophobicContact CD-CE1 4.01Å; K128-Y130 HydrophobicContact CD-CE2 3.93Å; K128-Y130 VanDerWaalsContact CD-CZ 3.48Å; K128-Y130 VanDerWaalsContact CD-OH 3.26Å; K128-Y130 WeakPolarHBondContact CD-OH 3.47Å; K128-Y130 WeakPolarHBondContact CE-OH 3.34Å; K128-Y130 HydrophobicContact CG-CD2 4.24Å; K128-Y130 HydrophobicContact CG-CE1 4.33Å; K128-Y130 HydrophobicContact CG-CE2 3.73Å; K128-Y130 PolarHBondContact NZ-OH 3.2Å; K128-Q146 WeakPolarHBondContact O-CA 3.29Å; K128-T147 PolarHBondContact N-O 3.08Å; K128-T147 PolarHBondContact O-N 2.82Å; K128-T147 PolarHBondContact O-OG1 2.93Å
129Y93.6Very high89.4Confident10 Ų1067.9 Ų67.94%0.03932%0.317CS..EExtended strand (participates in β ladder)trans-107.4116.4178.8-59.9-91.3000107.7L77 T78 L79 V83 F121 L122 R127 R145 Q146L77-Y129 HydrophobicContact CD1-CD1 4.3Å; L77-Y129 HydrophobicContact CD1-CE1 4.08Å; T78-Y129 PolarHBondContact O-OH 2.82Å; L79-Y129 HydrophobicContact CD2-CD1 3.85Å; L79-Y129 HydrophobicContact CD2-CE1 3.26Å; V83-Y129 HydrophobicContact CG1-CD2 4.26Å; V83-Y129 HydrophobicContact CG1-CE2 3.97Å; V83-Y129 HydrophobicContact CG2-CE2 4.29Å; F121-Y129 CarbonylContact C-O 3.53Å; F121-Y129 WeakPolarHBondContact CA-O 3.02Å; F121-Y129 WeakPolarHBondContact CB-O 3.45Å; L122-Y129 HydrophobicContact CG-CD2 4.48Å; L122-Y129 PolarHBondContact N-O 2.87Å; L122-Y129 PolarHBondContact O-N 3.19Å; R127-Y129 HydrophobicContact CB-CE2 3.83Å; R127-Y129 WeakPolarHBondContact CD-OH 3.46Å; Y129-R145 CarbonylContact C-O 3.47Å; Y129-R145 WeakPolarHBondContact CA-O 3.46Å; Y129-Q146 HydrophobicContact CD1-CB 3.79Å; Y129-Q146 HydrophobicContact CD1-CG 3.88Å; Y129-Q146 HydrophobicContact CE1-CB 3.76Å; Y129-Q146 HydrophobicContact CE1-CG 3.47Å; Y129-Q146 VanDerWaalsContact CE1-CG 3.47Å; Y129-Q146 VanDerWaalsContact CE1-OE1 3.23Å; Y129-Q146 PolarHBondContact OH-OE1 3.43Å
130Y94.6Very high89.3Confident62 Ų6265.8 Ų65.824%0.24330%0.3CS..EExtended strand (participates in β ladder)trans-99.4131174.7-62.8-90.2000108.9F121 K128 I144 R145 T147F121-Y130 HydrophobicContact CB-CD1 4.27Å; K128-Y130 HydrophobicContact CB-CE2 4.21Å; K128-Y130 HydrophobicContact CD-CE1 4.01Å; K128-Y130 HydrophobicContact CD-CE2 3.93Å; K128-Y130 VanDerWaalsContact CD-CZ 3.48Å; K128-Y130 VanDerWaalsContact CD-OH 3.26Å; K128-Y130 WeakPolarHBondContact CD-OH 3.47Å; K128-Y130 WeakPolarHBondContact CE-OH 3.34Å; K128-Y130 HydrophobicContact CG-CD2 4.24Å; K128-Y130 HydrophobicContact CG-CE1 4.33Å; K128-Y130 HydrophobicContact CG-CE2 3.73Å; K128-Y130 PolarHBondContact NZ-OH 3.2Å; Y130-I144 CarbonylContact O-C 3.58Å; Y130-I144 VanDerWaalsContact O-CA 3.3Å; Y130-I144 WeakPolarHBondContact O-CA 3.41Å; Y130-R145 PolarHBondContact N-O 3.16Å; Y130-R145 PolarHBondContact O-N 3.37Å; Y130-T147 HydrophobicContact CD2-CG2 4.33Å; Y130-T147 HydrophobicContact CE2-CG2 4.04Å; Y130-T147 WeakPolarHBondContact CE2-OG1 3.33Å
131M95.9Very high89.2Confident2 Ų264.8 Ų64.81%0.0129%0.294CS..EExtended strand (participates in β ladder)trans-123.1107.8-178.9-65.3172.8-75.100108.3F87 Y90 F94 S119 E120 L122 L142 R143 I144F87-M131 HydrophobicContact CD2-SD 3.6Å; F87-M131 HydrophobicContact CE2-SD 3.84Å; Y90-M131 HydrophobicContact CD1-CE 4.33Å; Y90-M131 HydrophobicContact CD2-CE 3.63Å; Y90-M131 HydrophobicContact CD2-SD 4.48Å; Y90-M131 HydrophobicContact CE2-CE 4.11Å; Y90-M131 HydrophobicContact CG-CE 3.77Å; Y90-M131 HydrophobicContact CG-SD 4.45Å; F94-M131 HydrophobicContact CE2-CB 3.76Å; F94-M131 HydrophobicContact CE2-SD 4.38Å; F94-M131 HydrophobicContact CZ-CB 3.84Å; F94-M131 WeakPolarHBondContact CZ-O 3.33Å; S119-M131 CarbonylContact C-O 3.51Å; S119-M131 VanDerWaalsContact CA-O 3.3Å; S119-M131 WeakPolarHBondContact CA-O 3.14Å; E120-M131 HydrophobicContact CB-CB 4.47Å; E120-M131 HydrophobicContact CB-CE 3.97Å; E120-M131 PolarHBondContact N-O 2.64Å; E120-M131 PolarHBondContact O-N 3.15Å; L122-M131 HydrophobicContact CB-CE 4.38Å; M131-L142 HydrophobicContact CB-CD1 4.31Å; M131-R143 WeakPolarHBondContact CA-O 3.43Å; M131-I144 HydrophobicContact CG-CG1 3.97Å; M131-I144 HydrophobicContact CG-CG2 4.18Å
132D95.3Very high89.4Confident18 Ų1859.3 Ų59.310%0.09627%0.27CS..EExtended strand (participates in β ladder)trans-116.3113.5-177.5-57.4-45.9000110.2A116 S119 K134 R143A116-D132 HydrophobicContact CB-CB 3.94Å; S119-D132 PolarHBondContact OG-OD1 3.2Å; D132-K134 HydrophobicContact CB-CD 4.22Å; D132-K134 HydrophobicContact CB-CG 4.08Å; D132-K134 PolarHBondContact O-N 2.7Å; D132-R143 PolarHBondContact N-O 3.27Å; D132-R143 PolarHBondContact O-N 2.92Å; D132-R143 IonicContact OD2-CZ 2.81Å; D132-R143 IonicContact OD2-NE 3.99Å; D132-R143 IonicContact OD2-NH2 3.96Å; D132-R143 PolarHBondContact OD2-NH2 3.2Å
133L95.6Very high89.7Confident0 Ų062.7 Ų62.70%028%0.282CS..EExtended strand (participates in β ladder)trans-76.5120.9166.7-17666000108.5F94 L101 A116 L117 K118 L142 A166F94-L133 HydrophobicContact CD1-CB 3.86Å; F94-L133 HydrophobicContact CD1-CD2 4.44Å; F94-L133 HydrophobicContact CE1-CB 3.91Å; L101-L133 HydrophobicContact CD1-CD2 4.17Å; A116-L133 CarbonylContact C-O 3.49Å; A116-L133 WeakPolarHBondContact CA-O 3.49Å; L117-L133 HydrophobicContact CB-CD2 4.42Å; L117-L133 HydrophobicContact CB-CG 4.41Å; L117-L133 HydrophobicContact CD1-CG 4.43Å; L117-L133 PolarHBondContact N-O 2.8Å; K118-L133 HydrophobicContact CB-CB 4.32Å; K118-L133 PolarHBondContact O-N 2.81Å; L133-L142 HydrophobicContact CB-CD1 4.22Å; L133-L142 HydrophobicContact CD1-CB 4.43Å; L133-A166 HydrophobicContact CD1-CB 4.37Å
134K93.3Very high90Very high32 Ų3259 Ų5914%0.13926%0.259CS..EExtended strand (participates in β ladder)trans-129.9157.5-174.2-67.9-177.1174.7-111.50111.1R114 A116 D132 R140 F141 R143R114-K134 PolarHBondContact O-NZ 3.16Å; R114-K134 VanDerWaalsContact O-NZ 3.1Å; A116-K134 HydrophobicContact CB-CG 4.34Å; D132-K134 HydrophobicContact CB-CD 4.22Å; D132-K134 HydrophobicContact CB-CG 4.08Å; D132-K134 PolarHBondContact O-N 2.7Å; K134-R140 CarbonylContact O-C 3.55Å; K134-R140 WeakPolarHBondContact O-CA 3.09Å; K134-F141 HydrophobicContact CB-CD1 4.33Å; K134-F141 HydrophobicContact CB-CE1 3.75Å; K134-F141 HydrophobicContact CB-CE2 4.25Å; K134-F141 HydrophobicContact CB-CZ 3.72Å; K134-F141 HydrophobicContact CD-CZ 4.2Å; K134-F141 PolarHBondContact N-O 3.38Å; K134-F141 PolarHBondContact O-N 3.27Å; K134-R143 VanDerWaalsContact CE-NH2 3.31Å
135E89.3Confident90.5Very high44 Ų4457.5 Ų57.521%0.20625%0.254CS..EExtended strand (participates in β ladder)trans-116.3138173.9-168.3160.3169.900110.2S104 L117 R140S104-E135 VanDerWaalsContact CA-OE1 3.32Å; S104-E135 WeakPolarHBondContact CA-OE1 3.31Å; S104-E135 VanDerWaalsContact CB-OE1 3.26Å; S104-E135 WeakPolarHBondContact CB-OE1 3.47Å; L117-E135 HydrophobicContact CD1-CB 4.1Å; E135-R140 HydrophobicContact CB-CG 4.01Å; E135-R140 HydrophobicContact CG-CG 3.83Å; E135-R140 IonicContact OE1-NE 2.66Å; E135-R140 IonicContact OE1-NH2 3.33Å; E135-R140 IonicContact OE2-CZ 3.94Å; E135-R140 IonicContact OE2-NE 2.67Å; E135-R140 PolarHBondContact OE2-NE 3.32Å; E135-R140 IonicContact OE2-NH2 2.86Å; E135-R140 PolarHBondContact OE2-NH2 2.91Å
136N84.6Confident91Very high59 Ų5949.9 Ų49.932%0.31622%0.219SC..EExtended strand (participates in β ladder)trans-138.6179.7171.567.823.7000110.1R138 G139 F141N136-R138 PolarHBondContact O-N 3.49Å; N136-R138 VanDerWaalsContact OD1-CA 3.3Å; N136-R138 WeakPolarHBondContact OD1-CA 3.43Å; N136-R138 VanDerWaalsContact OD1-CB 3.32Å; N136-R138 WeakPolarHBondContact OD1-CB 3.08Å; N136-R138 PolarHBondContact OD1-N 3.34Å; N136-G139 PolarHBondContact N-O 3.22Å; N136-G139 PolarHBondContact O-N 2.97Å; N136-G139 PolarHBondContact OD1-N 3.17Å; N136-G139 VanDerWaalsContact OD1-N 3.1Å; N136-G139 PolarHBondContact OD1-O 3.06Å; N136-F141 HydrophobicContact CB-CE1 4.05Å; N136-F141 WeakPolarHBondContact ND2-CE1 3.31Å
137Q83.4Confident91.3Very high178 Ų17847.4 Ų47.483%0.83221%0.206SC*.THydrogen-bonded Turntrans-57.6-22.2178.3-66176.92.200114.1
138R82.9Confident90.9Very high175 Ų17545.9 Ų45.966%0.6621%0.206SC*.THydrogen-bonded Turntrans-91-4177.6-61.3175.258.2-170-2.2112.7N136N136-R138 PolarHBondContact O-N 3.49Å; N136-R138 VanDerWaalsContact OD1-CA 3.3Å; N136-R138 WeakPolarHBondContact OD1-CA 3.43Å; N136-R138 VanDerWaalsContact OD1-CB 3.32Å; N136-R138 WeakPolarHBondContact OD1-CB 3.08Å; N136-R138 PolarHBondContact OD1-N 3.34Å
139G88Confident89.7Confident14 Ų1449 Ų4914%0.14423%0.225CC..EExtended strand (participates in β ladder)trans116.8-164.9-178.600000113.7N136N136-G139 PolarHBondContact N-O 3.22Å; N136-G139 PolarHBondContact O-N 2.97Å; N136-G139 PolarHBondContact OD1-N 3.17Å; N136-G139 VanDerWaalsContact OD1-N 3.1Å; N136-G139 PolarHBondContact OD1-O 3.06Å
140R92.1Very high88.2Confident20 Ų2055.5 Ų55.58%0.07525%0.25CC..EExtended strand (participates in β ladder)trans-89.8143-178.4-61.2-175.7-171.8133.62.8111.7Y98 G102 L117 K134 E135 A166Y98-R140 HydrophobicContact CE2-CB 4.14Å; Y98-R140 HydrophobicContact CE2-CG 4.48Å; G102-R140 PolarHBondContact O-NH1 3.26Å; G102-R140 PolarHBondContact O-NH2 3.24Å; L117-R140 HydrophobicContact CD1-CG 4.23Å; K134-R140 CarbonylContact O-C 3.55Å; K134-R140 WeakPolarHBondContact O-CA 3.09Å; E135-R140 HydrophobicContact CB-CG 4.01Å; E135-R140 HydrophobicContact CG-CG 3.83Å; E135-R140 IonicContact OE1-NE 2.66Å; E135-R140 IonicContact OE1-NH2 3.33Å; E135-R140 IonicContact OE2-CZ 3.94Å; E135-R140 IonicContact OE2-NE 2.67Å; E135-R140 PolarHBondContact OE2-NE 3.32Å; E135-R140 IonicContact OE2-NH2 2.86Å; E135-R140 PolarHBondContact OE2-NH2 2.91Å; R140-A166 HydrophobicContact CB-CB 3.81Å; R140-A166 WeakPolarHBondContact O-CB 3.45Å; R140-A166 PolarHBondContact O-N 3.42Å
141F94.3Very high86.1Confident42 Ų4255 Ų5518%0.18426%0.264CS..EExtended strand (participates in β ladder)trans-149.5143.8179.567.9-78.8000111.3K134 N136 R143 A163 L164K134-F141 HydrophobicContact CB-CD1 4.33Å; K134-F141 HydrophobicContact CB-CE1 3.75Å; K134-F141 HydrophobicContact CB-CE2 4.25Å; K134-F141 HydrophobicContact CB-CZ 3.72Å; K134-F141 HydrophobicContact CD-CZ 4.2Å; K134-F141 PolarHBondContact N-O 3.38Å; K134-F141 PolarHBondContact O-N 3.27Å; N136-F141 HydrophobicContact CB-CE1 4.05Å; N136-F141 WeakPolarHBondContact ND2-CE1 3.31Å; F141-R143 HydrophobicContact CD2-CB 4.29Å; F141-R143 HydrophobicContact CE2-CB 4.02Å; F141-A163 HydrophobicContact CD2-CB 4.03Å; F141-L164 CarbonylContact C-O 3.58Å; F141-L164 WeakPolarHBondContact CA-O 3.48Å; F141-L164 WeakPolarHBondContact CB-O 3.18Å
142L95.9Very high83.6Confident0 Ų062 Ų620%031%0.309CS..EExtended strand (participates in β ladder)trans-90.8118.4171.8-176.164.3000109.3L91 F94 M131 L133 I144 A163 L164 L169L91-L142 HydrophobicContact CD2-CD2 3.58Å; F94-L142 HydrophobicContact CD1-CD1 3.92Å; F94-L142 HydrophobicContact CD2-CD1 4.02Å; F94-L142 HydrophobicContact CD2-CD2 4.05Å; F94-L142 HydrophobicContact CE1-CD1 3.78Å; F94-L142 HydrophobicContact CE2-CD1 3.93Å; F94-L142 HydrophobicContact CE2-CD2 4.48Å; F94-L142 HydrophobicContact CG-CD1 4.05Å; F94-L142 HydrophobicContact CG-CD2 4.36Å; F94-L142 HydrophobicContact CZ-CD1 3.81Å; M131-L142 HydrophobicContact CB-CD1 4.31Å; L133-L142 HydrophobicContact CB-CD1 4.22Å; L133-L142 HydrophobicContact CD1-CB 4.43Å; L142-I144 HydrophobicContact CD2-CD1 4.07Å; L142-I144 HydrophobicContact CD2-CG1 4.42Å; L142-I144 HydrophobicContact CG-CD1 3.99Å; L142-I144 HydrophobicContact CG-CG1 4.3Å; L142-A163 CarbonylContact O-C 3.54Å; L142-A163 WeakPolarHBondContact O-CA 3.18Å; L142-L164 PolarHBondContact N-O 3.32Å; L142-L164 PolarHBondContact O-N 2.89Å; L142-L169 HydrophobicContact CB-CD2 3.94Å; L142-L169 HydrophobicContact CD2-CD2 3.85Å
143R94.8Very high81.6Confident80 Ų8065 Ų6530%0.30235%0.345SS..EExtended strand (participates in β ladder)trans-98.3116.5175.8-173.2179.166.7171.65.4109.6M131 D132 K134 F141 T161M131-R143 WeakPolarHBondContact CA-O 3.43Å; D132-R143 PolarHBondContact N-O 3.27Å; D132-R143 PolarHBondContact O-N 2.92Å; D132-R143 IonicContact OD2-CZ 2.81Å; D132-R143 IonicContact OD2-NE 3.99Å; D132-R143 IonicContact OD2-NH2 3.96Å; D132-R143 PolarHBondContact OD2-NH2 3.2Å; K134-R143 VanDerWaalsContact CE-NH2 3.31Å; F141-R143 HydrophobicContact CD2-CB 4.29Å; F141-R143 HydrophobicContact CE2-CB 4.02Å; R143-T161 HydrophobicContact CG-CG2 3.78Å
144I95Very high79.5Confident3 Ų370.7 Ų70.72%0.01538%0.375CS..EExtended strand (participates in β ladder)trans-104.8122.1174.7-55.8100.8000109.2L77 F87 Y130 M131 L142 T161 I162 L164L77-I144 HydrophobicContact CD2-CB 4.33Å; L77-I144 HydrophobicContact CD2-CG2 3.66Å; F87-I144 HydrophobicContact CE2-CD1 4.19Å; F87-I144 HydrophobicContact CE2-CG1 3.88Å; F87-I144 HydrophobicContact CZ-CD1 3.89Å; F87-I144 HydrophobicContact CZ-CG1 4.01Å; Y130-I144 CarbonylContact O-C 3.58Å; Y130-I144 VanDerWaalsContact O-CA 3.3Å; Y130-I144 WeakPolarHBondContact O-CA 3.41Å; M131-I144 HydrophobicContact CG-CG1 3.97Å; M131-I144 HydrophobicContact CG-CG2 4.18Å; L142-I144 HydrophobicContact CD2-CD1 4.07Å; L142-I144 HydrophobicContact CD2-CG1 4.42Å; L142-I144 HydrophobicContact CG-CD1 3.99Å; L142-I144 HydrophobicContact CG-CG1 4.3Å; I144-T161 CarbonylContact O-C 3.51Å; I144-T161 WeakPolarHBondContact O-CA 3.36Å; I144-T161 WeakPolarHBondContact O-CG2 3.49Å; I144-I162 HydrophobicContact CB-CG1 3.97Å; I144-I162 HydrophobicContact CD1-CD1 4.25Å; I144-I162 HydrophobicContact CD1-CG1 4Å; I144-I162 PolarHBondContact N-O 2.97Å; I144-I162 PolarHBondContact O-N 2.95Å; I144-L164 HydrophobicContact CD1-CD1 3.47Å; I144-L164 VanDerWaalsContact CD1-CD1 3.47Å; I144-L164 HydrophobicContact CD1-CD2 4.42Å; I144-L164 HydrophobicContact CD1-CG 4.44Å
145R93.1Very high77.4Confident87 Ų8772.3 Ų72.333%0.32840%0.4SS..EExtended strand (participates in β ladder)trans-125.1121179.9176.3177.358.6130.32.8110.5Y129 Y130 T147 Q160 T161Y129-R145 CarbonylContact C-O 3.47Å; Y129-R145 WeakPolarHBondContact CA-O 3.46Å; Y130-R145 PolarHBondContact N-O 3.16Å; Y130-R145 PolarHBondContact O-N 3.37Å; R145-T147 HydrophobicContact CG-CG2 4.32Å; R145-Q160 CarbonylContact C-O 3.58Å; R145-Q160 WeakPolarHBondContact CA-O 3.24Å; R145-T161 HydrophobicContact CB-CG2 4.22Å
146Q90.9Very high75.4Confident9 Ų975.6 Ų75.64%0.04243%0.428CS..EExtended strand (participates in β ladder)trans-93.4125.9170.7-176.8-168.5-4700110.4L77 T78 R127 K128 Y129 G159 Q160L77-Q146 HydrophobicContact CD1-CB 3.57Å; L77-Q146 HydrophobicContact CD1-CG 4.47Å; T78-Q146 PolarHBondContact O-OE1 3.08Å; R127-Q146 VanDerWaalsContact NH1-NE2 3.18Å; K128-Q146 WeakPolarHBondContact O-CA 3.29Å; Y129-Q146 HydrophobicContact CD1-CB 3.79Å; Y129-Q146 HydrophobicContact CD1-CG 3.88Å; Y129-Q146 HydrophobicContact CE1-CB 3.76Å; Y129-Q146 HydrophobicContact CE1-CG 3.47Å; Y129-Q146 VanDerWaalsContact CE1-CG 3.47Å; Y129-Q146 VanDerWaalsContact CE1-OE1 3.23Å; Y129-Q146 PolarHBondContact OH-OE1 3.43Å; Q146-G159 CarbonylContact O-C 3.52Å; Q146-G159 VanDerWaalsContact O-CA 3.24Å; Q146-G159 WeakPolarHBondContact O-CA 3.26Å; Q146-Q160 HydrophobicContact CB-CB 4.31Å; Q146-Q160 PolarHBondContact N-O 3.49Å; Q146-Q160 PolarHBondContact O-N 3.2Å
147T87.1Confident73.9Confident28 Ų2875.5 Ų75.517%0.17244%0.435CS..EExtended strand (participates in β ladder)trans-114.4147.1167.3600000109.9R127 K128 Y130 R145R127-T147 WeakPolarHBondContact CA-O 3.31Å; K128-T147 PolarHBondContact N-O 3.08Å; K128-T147 PolarHBondContact O-N 2.82Å; K128-T147 PolarHBondContact O-OG1 2.93Å; Y130-T147 HydrophobicContact CD2-CG2 4.33Å; Y130-T147 HydrophobicContact CE2-CG2 4.04Å; Y130-T147 WeakPolarHBondContact CE2-OG1 3.33Å; R145-T147 HydrophobicContact CG-CG2 4.32Å
148V79.6Confident72.6Confident53 Ų5376.1 Ų76.132%0.32144%0.438SS..EExtended strand (participates in β ladder)trans-106.9126.2171.6-174.80000107.3N126 R127 R150N126-V148 WeakPolarHBondContact O-CA 3.03Å; R127-V148 HydrophobicContact CG-CG2 4.41Å; V148-R150 VanDerWaalsContact C-N 3.29Å; V148-R150 HydrophobicContact CG1-CG 4.12Å; V148-R150 PolarHBondContact O-N 2.92Å
149N65Low71.8Confident114 Ų11469.2 Ų69.261%0.6142%0.422SS*.  trans-73.289.5171.5-75.415.9000107.7N126N126-N149 PolarHBondContact O-N 3.3Å
150R61.5Low71.7Confident146 Ų14671.1 Ų71.155%0.55143%0.427SS*.PPolyproline II helixtrans-90.3131160.9-64.9-175177-177.9-2.1106V148 L154V148-R150 VanDerWaalsContact C-N 3.29Å; V148-R150 HydrophobicContact CG1-CG 4.12Å; V148-R150 PolarHBondContact O-N 2.92Å; R150-L154 HydrophobicContact CB-CB 4.25Å
151G51.8Low71.7Confident52 Ų5272.3 Ų72.354%0.53644%0.437SS..PPolyproline II helixtrans-55173.3-174.400000114G153 L154G151-G153 PolarHBondContact O-N 3.05Å; G151-G153 VanDerWaalsContact O-N 3.17Å; G151-L154 PolarHBondContact O-N 3.31Å
152P41.7Very low71.6Confident147 Ų14770.4 Ų70.496%0.95543%0.428SS*.THydrogen-bonded Turntrans-55.2123-175.5-19.931.2000110.8
153G53.9Low71.6Confident83 Ų8371.2 Ų71.286%0.85644%0.435SS*.THydrogen-bonded Turntrans110-10.6173.400000116.8G151G151-G153 PolarHBondContact O-N 3.05Å; G151-G153 VanDerWaalsContact O-N 3.17Å
154L52.2Low71.5Confident119 Ų11967.4 Ų67.462%0.62342%0.421SS*.SBendtrans-104.7103.3169.9-127.471.8000108.9R150 G151R150-L154 HydrophobicContact CB-CB 4.25Å; G151-L154 PolarHBondContact O-N 3.31Å
155G47.4Very low71.5Confident65 Ų6567.5 Ų67.567%0.6742%0.422SS*.  trans-41.9146.2-171.600000114.8A157G155-A157 PolarHBondContact O-N 3.41Å
156S48.4Very low71.6Confident114 Ų11463.5 Ų63.580%0.79741%0.407SS*.  trans-5096.4174.1165.60000109.8Q158S156-Q158 PolarHBondContact O-N 3.39Å
157A52.1Low71.7Confident57 Ų5768 Ų6847%0.47143%0.428SS..  trans-54.1120.7166.800000106.4G155 G159G155-A157 PolarHBondContact O-N 3.41Å; A157-G159 PolarHBondContact O-N 3.4Å
158Q57.3Low72.1Confident190 Ų19066.9 Ų66.989%0.88842%0.422SS*.  trans-37.2107.4-179.2-69.2-105.7-25.500109.4S156 Q160S156-Q158 PolarHBondContact O-N 3.39Å; Q158-Q160 PolarHBondContact O-N 3.04Å
159G64.8Low72.9Confident31 Ų3164.4 Ų64.432%0.3241%0.407SS..  trans-59.7134.1-172.300000110.4Q146 A157 T161Q146-G159 CarbonylContact O-C 3.52Å; Q146-G159 VanDerWaalsContact O-CA 3.24Å; Q146-G159 WeakPolarHBondContact O-CA 3.26Å; A157-G159 PolarHBondContact O-N 3.4Å; G159-T161 PolarHBondContact O-N 3.22Å; G159-T161 PolarHBondContact O-OG1 2.89Å
160Q86.4Confident74.4Confident53 Ų5363.1 Ų63.125%0.24840%0.399CS..EExtended strand (participates in β ladder)trans-67.8122175.7-80.6-177.99.700108.8R76 L77 R145 Q146 Q158R76-Q160 VanDerWaalsContact O-CB 3.26Å; R76-Q160 WeakPolarHBondContact O-CB 3.23Å; R76-Q160 WeakPolarHBondContact O-CG 3.48Å; R76-Q160 PolarHBondContact O-OE1 2.78Å; L77-Q160 HydrophobicContact CD1-CB 4.3Å; R145-Q160 CarbonylContact C-O 3.58Å; R145-Q160 WeakPolarHBondContact CA-O 3.24Å; Q146-Q160 HydrophobicContact CB-CB 4.31Å; Q146-Q160 PolarHBondContact N-O 3.49Å; Q146-Q160 PolarHBondContact O-N 3.2Å; Q158-Q160 PolarHBondContact O-N 3.04Å
161T91.4Very high76.1Confident46 Ų4661 Ų6128%0.28240%0.395SS..EExtended strand (participates in β ladder)trans-133137.2-175.4-53.70000110.2S75 R143 I144 R145 G159S75-T161 WeakPolarHBondContact CB-O 3.21Å; R143-T161 HydrophobicContact CG-CG2 3.78Å; I144-T161 CarbonylContact O-C 3.51Å; I144-T161 WeakPolarHBondContact O-CA 3.36Å; I144-T161 WeakPolarHBondContact O-CG2 3.49Å; R145-T161 HydrophobicContact CB-CG2 4.22Å; G159-T161 PolarHBondContact O-N 3.22Å; G159-T161 PolarHBondContact O-OG1 2.89Å
162I94Very high78.2Confident1 Ų158.5 Ų58.51%0.00537%0.37CS..EExtended strand (participates in β ladder)trans-127.6157168.861.4176.9000109.5I65 E67 L77 I144 L164I65-I162 HydrophobicContact CB-CD1 4.38Å; I65-I162 HydrophobicContact CD1-CD1 4.49Å; I65-I162 HydrophobicContact CG2-CD1 3.76Å; E67-I162 HydrophobicContact CB-CB 4.42Å; E67-I162 HydrophobicContact CB-CG2 4.05Å; E67-I162 WeakPolarHBondContact OE2-CA 3.08Å; E67-I162 WeakPolarHBondContact OE2-CB 3.3Å; L77-I162 HydrophobicContact CB-CD1 4.12Å; L77-I162 HydrophobicContact CB-CG1 4.49Å; L77-I162 HydrophobicContact CB-CG2 4.17Å; L77-I162 HydrophobicContact CD2-CD1 3.71Å; L77-I162 HydrophobicContact CD2-CG1 4.09Å; I144-I162 HydrophobicContact CB-CG1 3.97Å; I144-I162 HydrophobicContact CD1-CD1 4.25Å; I144-I162 HydrophobicContact CD1-CG1 4Å; I144-I162 PolarHBondContact N-O 2.97Å; I144-I162 PolarHBondContact O-N 2.95Å; I162-L164 HydrophobicContact CB-CD1 4.27Å; I162-L164 HydrophobicContact CD1-CD1 3.62Å; I162-L164 HydrophobicContact CG1-CD1 3.74Å
163A94.1Very high80.9Confident18 Ų1855 Ų5515%0.14934%0.337CS..EExtended strand (participates in β ladder)trans-133.9105.5-178.900000111K48 E67 F141 L142K48-A163 PolarHBondContact NZ-O 2.98Å; E67-A163 PolarHBondContact OE2-N 3.47Å; F141-A163 HydrophobicContact CD2-CB 4.03Å; L142-A163 CarbonylContact O-C 3.54Å; L142-A163 WeakPolarHBondContact O-CA 3.18Å
164L94.4Very high83Confident0 Ų054.7 Ų54.70%032%0.316CS..EExtended strand (participates in β ladder)trans-92.8124.3-178.1-74.466.8000109.8F50 F141 L142 I144 I162 A166 L169 F172F50-L164 HydrophobicContact CE1-CD1 3.82Å; F50-L164 HydrophobicContact CE1-CG 3.9Å; F50-L164 HydrophobicContact CZ-CB 4.47Å; F50-L164 HydrophobicContact CZ-CD1 4.26Å; F50-L164 HydrophobicContact CZ-CG 3.97Å; F141-L164 CarbonylContact C-O 3.58Å; F141-L164 WeakPolarHBondContact CA-O 3.48Å; F141-L164 WeakPolarHBondContact CB-O 3.18Å; L142-L164 PolarHBondContact N-O 3.32Å; L142-L164 PolarHBondContact O-N 2.89Å; I144-L164 HydrophobicContact CD1-CD1 3.47Å; I144-L164 VanDerWaalsContact CD1-CD1 3.47Å; I144-L164 HydrophobicContact CD1-CD2 4.42Å; I144-L164 HydrophobicContact CD1-CG 4.44Å; I162-L164 HydrophobicContact CB-CD1 4.27Å; I162-L164 HydrophobicContact CD1-CD1 3.62Å; I162-L164 HydrophobicContact CG1-CD1 3.74Å; L164-A166 PolarHBondContact O-N 2.92Å; L164-L169 HydrophobicContact CB-CD2 4.21Å; L164-L169 HydrophobicContact CD2-CD2 4.38Å; L164-F172 HydrophobicContact CD2-CB 4.22Å; L164-F172 HydrophobicContact CD2-CD1 3.7Å; L164-F172 HydrophobicContact CD2-CD2 3.57Å; L164-F172 HydrophobicContact CD2-CE1 3.94Å; L164-F172 HydrophobicContact CD2-CE2 3.78Å; L164-F172 HydrophobicContact CD2-CG 3.53Å; L164-F172 HydrophobicContact CD2-CZ 3.97Å; L164-F172 HydrophobicContact CG-CD2 4.33Å; L164-F172 HydrophobicContact CG-CE2 4.39Å
165P95.3Very high85.1Confident5 Ų549.5 Ų49.53%0.03229%0.29CS..EExtended strand (participates in β ladder)trans-59.2136.9170.1-21.533.4000111.1I45 Q46 K48 Q167 G168I45-P165 HydrophobicContact CB-CG 4.46Å; I45-P165 HydrophobicContact CG2-CB 3.73Å; I45-P165 HydrophobicContact CG2-CG 3.71Å; Q46-P165 HydrophobicContact CG-CB 4.22Å; Q46-P165 HydrophobicContact CG-CG 4.36Å; K48-P165 HydrophobicContact CD-CG 4.42Å; P165-Q167 PolarHBondContact O-N 3.44Å; P165-G168 PolarHBondContact O-N 2.9Å; P165-G168 VanDerWaalsContact O-N 3.08Å
166A94.4Very high87.4Confident3 Ų346.4 Ų46.43%0.02526%0.259CS..G310 helixtrans-60.4-32.1-173.800000112.7Y98 L133 R140 L164 G168 L169Y98-A166 HydrophobicContact CD2-CB 3.81Å; Y98-A166 HydrophobicContact CE1-CB 4.3Å; Y98-A166 HydrophobicContact CE2-CB 3.57Å; Y98-A166 HydrophobicContact CG-CB 4.29Å; L133-A166 HydrophobicContact CD1-CB 4.37Å; R140-A166 HydrophobicContact CB-CB 3.81Å; R140-A166 WeakPolarHBondContact O-CB 3.45Å; R140-A166 PolarHBondContact O-N 3.42Å; L164-A166 PolarHBondContact O-N 2.92Å; A166-G168 PolarHBondContact O-N 3.23Å; A166-L169 HydrophobicContact CB-CD1 4.24Å; A166-L169 WeakPolarHBondContact O-CB 3.38Å; A166-L169 VanDerWaalsContact O-CG 3.3Å; A166-L169 WeakPolarHBondContact O-CG 3.43Å; A166-L169 PolarHBondContact O-N 3.18Å
167Q93.2Very high89.6Confident104 Ų10441.7 Ų41.749%0.48623%0.227SC..G310 helixtrans-62.3-24.3178.9-65.583.9-5.200113.6Q46 P165Q46-Q167 VanDerWaalsContact NE2-OE1 3.11Å; P165-Q167 PolarHBondContact O-N 3.44Å
168G95.2Very high91.6Very high3 Ų345.3 Ų45.33%0.03123%0.232CC..G310 helixtrans-102.18.8179.600000114.3P165 A166 I170 E171 F172P165-G168 PolarHBondContact O-N 2.9Å; P165-G168 VanDerWaalsContact O-N 3.08Å; A166-G168 PolarHBondContact O-N 3.23Å; G168-I170 VanDerWaalsContact C-N 3.31Å; G168-I170 PolarHBondContact O-N 2.92Å; G168-E171 PolarHBondContact O-N 2.85Å; G168-F172 VanDerWaalsContact O-CB 3.27Å; G168-F172 WeakPolarHBondContact O-CB 3.32Å; G168-F172 PolarHBondContact O-N 2.8Å
169L96.1Very high93.4Very high1 Ų136.8 Ų36.81%0.00519%0.192CC..Hα-helixtrans-62.9-37.9-177.9-69174000112.3L91 I95 L142 L164 A166 R173L91-L169 HydrophobicContact CD2-CD2 3.85Å; I95-L169 HydrophobicContact CD1-CB 4.15Å; I95-L169 HydrophobicContact CG1-CB 3.64Å; L142-L169 HydrophobicContact CB-CD2 3.94Å; L142-L169 HydrophobicContact CD2-CD2 3.85Å; L164-L169 HydrophobicContact CB-CD2 4.21Å; L164-L169 HydrophobicContact CD2-CD2 4.38Å; A166-L169 HydrophobicContact CB-CD1 4.24Å; A166-L169 WeakPolarHBondContact O-CB 3.38Å; A166-L169 VanDerWaalsContact O-CG 3.3Å; A166-L169 WeakPolarHBondContact O-CG 3.43Å; A166-L169 PolarHBondContact O-N 3.18Å; L169-R173 VanDerWaalsContact O-CB 3.27Å; L169-R173 WeakPolarHBondContact O-CB 3.26Å; L169-R173 PolarHBondContact O-N 2.83Å
170I96.4Very high94.6Very high88 Ų8835.7 Ų35.745%0.45118%0.179SC..Hα-helixtrans-64.6-52.9178.7-62.3172.2000110.2I95 G168 F172 R173 D174I95-I170 HydrophobicContact CD1-CB 4.49Å; I95-I170 HydrophobicContact CD1-CG1 3.92Å; I95-I170 HydrophobicContact CG1-CG1 4.07Å; I95-I170 HydrophobicContact CG2-CD1 4.16Å; I95-I170 HydrophobicContact CG2-CG1 3.78Å; G168-I170 VanDerWaalsContact C-N 3.31Å; G168-I170 PolarHBondContact O-N 2.92Å; I170-F172 VanDerWaalsContact C-N 3.28Å; I170-F172 PolarHBondContact O-N 2.89Å; I170-R173 WeakPolarHBondContact O-CB 3.48Å; I170-R173 PolarHBondContact O-N 2.72Å; I170-R173 VanDerWaalsContact O-N 3.15Å; I170-D174 VanDerWaalsContact O-CG 3.23Å; I170-D174 PolarHBondContact O-N 3.35Å
171E97.1Very high94.8Very high101 Ų10138 Ų3847%0.47219%0.193SC..Hα-helixtrans-60.1-40.6179.2-168.9-173.3170.200111.6V43 G168 D174 A175V43-E171 HydrophobicContact CG1-CB 4.34Å; V43-E171 HydrophobicContact CG1-CG 3.82Å; G168-E171 PolarHBondContact O-N 2.85Å; E171-D174 PolarHBondContact O-N 2.89Å; E171-A175 VanDerWaalsContact O-CB 3.28Å; E171-A175 WeakPolarHBondContact O-CB 3.45Å; E171-A175 PolarHBondContact O-N 2.88Å
172F97.3Very high94.8Very high0 Ų040.4 Ų40.40%020%0.204CC..Hα-helixtrans-64.9-43.8176.4-165.2-78.4000111.9I45 F50 L52 I65 F87 L91 L164 G168 I170 L176I45-F172 HydrophobicContact CD1-CB 4.33Å; I45-F172 HydrophobicContact CD1-CD2 4.3Å; F50-F172 HydrophobicContact CB-CD2 4.37Å; F50-F172 HydrophobicContact CB-CE2 3.95Å; F50-F172 HydrophobicContact CD1-CE2 4.06Å; F50-F172 HydrophobicContact CG-CD2 4.37Å; F50-F172 HydrophobicContact CG-CE2 4.04Å; L52-F172 HydrophobicContact CD1-CD2 4.3Å; L52-F172 HydrophobicContact CD1-CE2 3.67Å; L52-F172 HydrophobicContact CD1-CZ 4Å; L52-F172 HydrophobicContact CD2-CE1 4.18Å; L52-F172 HydrophobicContact CD2-CE2 4.34Å; L52-F172 HydrophobicContact CD2-CZ 3.97Å; L52-F172 HydrophobicContact CG-CE2 4.27Å; L52-F172 HydrophobicContact CG-CZ 4.08Å; I65-F172 HydrophobicContact CD1-CE1 4.47Å; I65-F172 HydrophobicContact CD1-CZ 4.05Å; I65-F172 HydrophobicContact CG1-CZ 4.39Å; I65-F172 HydrophobicContact CG2-CE2 4.24Å; I65-F172 HydrophobicContact CG2-CZ 3.89Å; F87-F172 AromaticContact CE1-CE1 3.85Å; F87-F172 HydrophobicContact CE1-CE1 3.85Å; F87-F172 HydrophobicContact CZ-CE1 4.44Å; L91-F172 HydrophobicContact CD1-CD1 3.81Å; L91-F172 HydrophobicContact CD1-CE1 4.33Å; L164-F172 HydrophobicContact CD2-CB 4.22Å; L164-F172 HydrophobicContact CD2-CD1 3.7Å; L164-F172 HydrophobicContact CD2-CD2 3.57Å; L164-F172 HydrophobicContact CD2-CE1 3.94Å; L164-F172 HydrophobicContact CD2-CE2 3.78Å; L164-F172 HydrophobicContact CD2-CG 3.53Å; L164-F172 HydrophobicContact CD2-CZ 3.97Å; L164-F172 HydrophobicContact CG-CD2 4.33Å; L164-F172 HydrophobicContact CG-CE2 4.39Å; G168-F172 VanDerWaalsContact O-CB 3.27Å; G168-F172 WeakPolarHBondContact O-CB 3.32Å; G168-F172 PolarHBondContact O-N 2.8Å; I170-F172 VanDerWaalsContact C-N 3.28Å; I170-F172 PolarHBondContact O-N 2.89Å; F172-L176 VanDerWaalsContact O-CB 3.27Å; F172-L176 WeakPolarHBondContact O-CB 3.44Å; F172-L176 PolarHBondContact O-N 2.89Å
173R97.1Very high94.4Very high73 Ų7343.8 Ų43.828%0.27522%0.217SC..Hα-helixtrans-61.3-45.6176.1-179.2-15665.2-172-0.8110.9R88 L91 I95 L169 I170 L176 A177R88-R173 HydrophobicContact CG-CG 4.15Å; L91-R173 HydrophobicContact CB-CB 4.17Å; L91-R173 HydrophobicContact CB-CG 4.21Å; L91-R173 HydrophobicContact CD1-CB 4.24Å; I95-R173 HydrophobicContact CD1-CB 4.07Å; I95-R173 HydrophobicContact CD1-CG 4.47Å; L169-R173 VanDerWaalsContact O-CB 3.27Å; L169-R173 WeakPolarHBondContact O-CB 3.26Å; L169-R173 PolarHBondContact O-N 2.83Å; I170-R173 WeakPolarHBondContact O-CB 3.48Å; I170-R173 PolarHBondContact O-N 2.72Å; I170-R173 VanDerWaalsContact O-N 3.15Å; R173-L176 WeakPolarHBondContact O-CB 3.42Å; R173-L176 PolarHBondContact O-N 2.88Å; R173-A177 WeakPolarHBondContact O-CB 3.47Å; R173-A177 PolarHBondContact O-N 3.45Å
174D97.4Very high93.4Very high76 Ų7643.5 Ų43.541%0.40622%0.216SC..Hα-helixtrans-69.1-39.8-176.8-65.3-10.5000111.3I170 E171 L176 A177 K178I170-D174 VanDerWaalsContact O-CG 3.23Å; I170-D174 PolarHBondContact O-N 3.35Å; E171-D174 PolarHBondContact O-N 2.89Å; D174-L176 VanDerWaalsContact C-N 3.32Å; D174-L176 PolarHBondContact O-N 3.17Å; D174-A177 PolarHBondContact O-N 3.4Å; D174-K178 WeakPolarHBondContact O-CB 3.35Å; D174-K178 PolarHBondContact O-N 3.32Å
175A96.8Very high91.7Very high10 Ų1050 Ų508%0.08325%0.248CC..Hα-helixtrans-60.5-42.9171.200000111.8K41 V43 L52 E171 L179K41-A175 HydrophobicContact CG-CB 4.02Å; V43-A175 HydrophobicContact CG2-CB 3.71Å; L52-A175 HydrophobicContact CD2-CB 4.45Å; E171-A175 VanDerWaalsContact O-CB 3.28Å; E171-A175 WeakPolarHBondContact O-CB 3.45Å; E171-A175 PolarHBondContact O-N 2.88Å; A175-L179 WeakPolarHBondContact O-CG 3.35Å; A175-L179 PolarHBondContact O-N 3.48Å
176L95.6Very high89.8Confident1 Ų156.4 Ų56.41%0.00528%0.282CS..Hα-helixtrans-66.3-45.3177.4-179.760.2000111.9L52 L63 A84 F87 R88 L91 F172 R173 D174 K178 L179 I180L52-L176 HydrophobicContact CD2-CB 4.32Å; L63-L176 HydrophobicContact CD2-CD1 3.3Å; A84-L176 HydrophobicContact CB-CD1 4.29Å; F87-L176 HydrophobicContact CD1-CD2 3.65Å; F87-L176 HydrophobicContact CE1-CD2 4.2Å; F87-L176 HydrophobicContact CG-CD2 4.44Å; R88-L176 HydrophobicContact CB-CD2 3.9Å; R88-L176 HydrophobicContact CB-CG 4.25Å; L91-L176 HydrophobicContact CD1-CD2 4.06Å; F172-L176 VanDerWaalsContact O-CB 3.27Å; F172-L176 WeakPolarHBondContact O-CB 3.44Å; F172-L176 PolarHBondContact O-N 2.89Å; R173-L176 WeakPolarHBondContact O-CB 3.42Å; R173-L176 PolarHBondContact O-N 2.88Å; D174-L176 VanDerWaalsContact C-N 3.32Å; D174-L176 PolarHBondContact O-N 3.17Å; L176-K178 PolarHBondContact O-N 2.94Å; L176-L179 PolarHBondContact O-N 3.43Å; L176-I180 HydrophobicContact CD1-CD1 3.97Å; L176-I180 HydrophobicContact CD1-CG1 4.34Å; L176-I180 HydrophobicContact CD2-CD1 4.49Å; L176-I180 HydrophobicContact CG-CD1 3.75Å; L176-I180 VanDerWaalsContact O-CG1 3.29Å; L176-I180 WeakPolarHBondContact O-CG1 3.48Å; L176-I180 PolarHBondContact O-N 3.49Å
177A95.6Very high87.6Confident15 Ų1561.9 Ų61.912%0.12431%0.307CS..Hα-helixtrans-58.4-48178.100000110.8R88 R173 D174 L179 I180 D181R88-A177 HydrophobicContact CG-CB 4.09Å; R173-A177 WeakPolarHBondContact O-CB 3.47Å; R173-A177 PolarHBondContact O-N 3.45Å; D174-A177 PolarHBondContact O-N 3.4Å; A177-L179 VanDerWaalsContact C-N 3.34Å; A177-L179 PolarHBondContact O-N 2.78Å; A177-I180 CarbonylContact O-C 3.57Å; A177-I180 WeakPolarHBondContact O-CB 3.47Å; A177-I180 PolarHBondContact O-N 3.24Å; A177-D181 VanDerWaalsContact O-CG 3.23Å; A177-D181 PolarHBondContact O-N 2.95Å
178K94.3Very high85.4Confident132 Ų13262.7 Ų62.757%0.57432%0.315SS*.Hα-helixtrans-57.6-45176.2-176.2173.6-178.6174.70112.6D174 L176 I180 D181 D182D174-K178 WeakPolarHBondContact O-CB 3.35Å; D174-K178 PolarHBondContact O-N 3.32Å; L176-K178 PolarHBondContact O-N 2.94Å; K178-I180 VanDerWaalsContact C-N 3.27Å; K178-I180 PolarHBondContact O-N 3.46Å; K178-D181 PolarHBondContact O-N 2.88Å; K178-D182 WeakPolarHBondContact CE-OD2 3.49Å; K178-D182 WeakPolarHBondContact O-CB 3.5Å; K178-D182 VanDerWaalsContact O-CG 3.24Å; K178-D182 PolarHBondContact O-N 3Å
179L93.7Very high83.3Confident12 Ų1267.7 Ų67.76%0.06335%0.347CS..Hα-helixtrans-64.9-32.4177.6-70.8173.3000112.6A39 K41 L52 V54 L63 A175 L176 A177 Y183A39-L179 HydrophobicContact CB-CD2 3.85Å; K41-L179 HydrophobicContact CB-CD1 4.04Å; K41-L179 HydrophobicContact CB-CD2 4.46Å; L52-L179 HydrophobicContact CB-CD1 3.65Å; L52-L179 HydrophobicContact CD2-CD1 4.12Å; V54-L179 HydrophobicContact CG2-CB 4.04Å; V54-L179 HydrophobicContact CG2-CD1 4.21Å; V54-L179 HydrophobicContact CG2-CD2 3.98Å; V54-L179 HydrophobicContact CG2-CG 4.3Å; L63-L179 HydrophobicContact CD1-CD1 4.21Å; A175-L179 WeakPolarHBondContact O-CG 3.35Å; A175-L179 PolarHBondContact O-N 3.48Å; L176-L179 PolarHBondContact O-N 3.43Å; A177-L179 VanDerWaalsContact C-N 3.34Å; A177-L179 PolarHBondContact O-N 2.78Å; L179-Y183 HydrophobicContact CD2-CD2 4.34Å; L179-Y183 HydrophobicContact CD2-CE2 4.36Å; L179-Y183 WeakPolarHBondContact O-CB 3.25Å; L179-Y183 WeakPolarHBondContact O-CD2 3.15Å; L179-Y183 PolarHBondContact O-N 3.05Å
180I91.6Very high81.3Confident7 Ų770.4 Ų70.44%0.03637%0.369CS..Hα-helixtrans-73.4-40.6175.6-70.7164.3000110.9M81 A84 V85 R88 L176 A177 K178 D182 G184M81-I180 HydrophobicContact CE-CG1 4.22Å; A84-I180 HydrophobicContact CB-CD1 4.21Å; A84-I180 HydrophobicContact CB-CG1 4.42Å; A84-I180 WeakPolarHBondContact O-CD1 3.35Å; V85-I180 HydrophobicContact CG2-CD1 4.41Å; V85-I180 HydrophobicContact CG2-CG2 3.78Å; R88-I180 HydrophobicContact CB-CD1 3.96Å; R88-I180 HydrophobicContact CG-CD1 4.42Å; L176-I180 HydrophobicContact CD1-CD1 3.97Å; L176-I180 HydrophobicContact CD1-CG1 4.34Å; L176-I180 HydrophobicContact CD2-CD1 4.49Å; L176-I180 HydrophobicContact CG-CD1 3.75Å; L176-I180 VanDerWaalsContact O-CG1 3.29Å; L176-I180 WeakPolarHBondContact O-CG1 3.48Å; L176-I180 PolarHBondContact O-N 3.49Å; A177-I180 CarbonylContact O-C 3.57Å; A177-I180 WeakPolarHBondContact O-CB 3.47Å; A177-I180 PolarHBondContact O-N 3.24Å; K178-I180 VanDerWaalsContact C-N 3.27Å; K178-I180 PolarHBondContact O-N 3.46Å; I180-D182 VanDerWaalsContact C-N 3.35Å; I180-G184 WeakPolarHBondContact O-CA 3.48Å; I180-G184 PolarHBondContact O-N 3.23Å
181D90.8Very high79.4Confident103 Ų10374.5 Ų74.555%0.55139%0.386SS*.Hα-helixtrans-66.4-41.6178.2-63.3-21.9000110.4A177 K178A177-D181 VanDerWaalsContact O-CG 3.23Å; A177-D181 PolarHBondContact O-N 2.95Å; K178-D181 PolarHBondContact O-N 2.88Å
182D89.8Confident78.2Confident96 Ų9672.2 Ų72.251%0.51338%0.377SS..Hα-helixtrans-75.4-34.3-179.2-67.5-19.1000112.8K178 I180K178-D182 WeakPolarHBondContact CE-OD2 3.49Å; K178-D182 WeakPolarHBondContact O-CB 3.5Å; K178-D182 VanDerWaalsContact O-CG 3.24Å; K178-D182 PolarHBondContact O-N 3Å; I180-D182 VanDerWaalsContact C-N 3.35Å
183Y86.5Confident77.2Confident72 Ų7276.1 Ų76.128%0.28240%0.403SS..Hα-helixtrans-134.3-6.4-169.2-56.5-85.8000116.1L38 A39 V54 R61 L179L38-Y183 HydrophobicContact CB-CD1 3.99Å; L38-Y183 HydrophobicContact CB-CE1 3.9Å; L38-Y183 HydrophobicContact CD1-CD1 4.14Å; L38-Y183 PolarHBondContact O-OH 3.35Å; A39-Y183 HydrophobicContact CB-CD2 4.09Å; A39-Y183 HydrophobicContact CB-CE1 4.37Å; A39-Y183 HydrophobicContact CB-CE2 3.43Å; A39-Y183 VanDerWaalsContact CB-CE2 3.43Å; V54-Y183 HydrophobicContact CG1-CG 4.22Å; V54-Y183 HydrophobicContact CG2-CD2 4.47Å; R61-Y183 PolarHBondContact NH1-O 2.96Å; L179-Y183 HydrophobicContact CD2-CD2 4.34Å; L179-Y183 HydrophobicContact CD2-CE2 4.36Å; L179-Y183 WeakPolarHBondContact O-CB 3.25Å; L179-Y183 WeakPolarHBondContact O-CD2 3.15Å; L179-Y183 PolarHBondContact O-N 3.05Å
184G72.6Confident76.2Confident12 Ų1281.4 Ų81.412%0.12443%0.431CS..  trans-91.6-8.6-175.500000114.9I180 D186I180-G184 WeakPolarHBondContact O-CA 3.48Å; I180-G184 PolarHBondContact O-N 3.23Å; G184-D186 PolarHBondContact O-N 2.97Å
185M59.9Low75.5Confident137 Ų13779.7 Ų79.768%0.67543%0.43SS*.SBendtrans-67.3111.2158.4-62.4-7198.100106.7R61 E187R61-M185 PolarHBondContact NH1-O 3.2Å; M185-E187 PolarHBondContact O-N 3.37Å
186D54.3Low75.1Confident139 Ų13983.9 Ų83.974%0.74346%0.455SS*.  trans-43.1129.4167-79.1-49000107.6G184 D188G184-D186 PolarHBondContact O-N 2.97Å; D186-D188 PolarHBondContact O-N 2.91Å; D186-D188 VanDerWaalsContact O-N 3.07Å
187E48.8Very low74.9Confident117 Ų11786.8 Ų86.855%0.54748%0.476SS..  trans-31.8119.2148.1-134.4167.4-135.800106.6Q56 R61 M185 P189Q56-E187 PolarHBondContact NE2-OE1 3.23Å; Q56-E187 VanDerWaalsContact NE2-OE1 3.16Å; R61-E187 IonicContact NH2-OE1 2.69Å; M185-E187 PolarHBondContact O-N 3.37Å; E187-P189 VanDerWaalsContact O-N 3.08Å
188D46.3Very low74.7Confident121 Ų12189.8 Ų89.865%0.64749%0.489SS*.  trans-35.3125.5170.9-102.5-49.4000107.5D186 A190D186-D188 PolarHBondContact O-N 2.91Å; D186-D188 VanDerWaalsContact O-N 3.07Å; D188-A190 VanDerWaalsContact C-N 3.28Å; D188-A190 WeakPolarHBondContact O-CA 3.27Å; D188-A190 PolarHBondContact O-N 3.49Å
189P52.3Low74.6Confident108 Ų10887.8 Ų87.870%0.70149%0.488SS*.  trans-54.298.1-175.919.8-31.6000108.2E187 E191E187-P189 VanDerWaalsContact O-N 3.08Å; P189-E191 VanDerWaalsContact C-N 3.34Å; P189-E191 WeakPolarHBondContact O-CA 3.27Å; P189-E191 PolarHBondContact O-N 2.86Å
190A54Low74.5Confident58 Ų5890.7 Ų90.748%0.47951%0.506SS..THydrogen-bonded Turntrans-28.789-149.500000113.3D188 L192D188-A190 VanDerWaalsContact C-N 3.28Å; D188-A190 WeakPolarHBondContact O-CA 3.27Å; D188-A190 PolarHBondContact O-N 3.49Å; A190-L192 HydrophobicContact CB-CD2 4.47Å; A190-L192 WeakPolarHBondContact O-CA 3.33Å; A190-L192 WeakPolarHBondContact O-CD2 3.48Å; A190-L192 WeakPolarHBondContact O-CG 3.35Å; A190-L192 PolarHBondContact O-N 2.94Å
191E56.7Low74.4Confident174 Ų17498 Ų9881%0.81355%0.545SS*.THydrogen-bonded Turntrans-2082.1-160.5-75.1-171.8158.300113.4P189P189-E191 VanDerWaalsContact C-N 3.34Å; P189-E191 WeakPolarHBondContact O-CA 3.27Å; P189-E191 PolarHBondContact O-N 2.86Å
192L70.5Confident74.3Confident53 Ų5398.4 Ų98.428%0.27755%0.548SS..PPolyproline II helixtrans-87137-173.6-67.7-177.4000106.6A190 E194 V209 V216A190-L192 HydrophobicContact CB-CD2 4.47Å; A190-L192 WeakPolarHBondContact O-CA 3.33Å; A190-L192 WeakPolarHBondContact O-CD2 3.48Å; A190-L192 WeakPolarHBondContact O-CG 3.35Å; A190-L192 PolarHBondContact O-N 2.94Å; L192-E194 PolarHBondContact O-N 2.88Å; L192-V209 HydrophobicContact CB-CG1 4.27Å; L192-V209 HydrophobicContact CD1-CG1 4.33Å; L192-V209 HydrophobicContact CD2-CG1 4.04Å; L192-V209 HydrophobicContact CG-CG1 4.44Å; L192-V216 HydrophobicContact CD2-CG1 3.97Å; L192-V216 HydrophobicContact CD2-CG2 4.09Å
193P77.4Confident74.4Confident83 Ų8397.1 Ų97.154%0.53954%0.537SS..PPolyproline II helixtrans-58.1141.5178.924-33.4000110.5G195 V209P193-G195 PolarHBondContact O-N 3.35Å; P193-V209 HydrophobicContact CG-CB 4.04Å; P193-V209 HydrophobicContact CG-CG1 4.22Å; P193-V209 HydrophobicContact CG-CG2 3.85Å
194E75.2Confident74.8Confident184 Ų18499.5 Ų99.586%0.8655%0.546SS*.PPolyproline II helixtrans-59.9136.9179.2-165177.1-179.200110.5L192 T196L192-E194 PolarHBondContact O-N 2.88Å; E194-T196 PolarHBondContact O-N 2.82Å
195G82.8Confident75.9Confident39 Ų39101.3 Ų101.340%0.40255%0.551SS.*PPolyproline II helixtrans-61.9137.9178.300000111.1P193 F207P193-G195 PolarHBondContact O-N 3.35Å; G195-F207 VanDerWaalsContact CA-O 3.23Å; G195-F207 WeakPolarHBondContact CA-O 3.49Å
196T88Confident77.6Confident98 Ų9897.7 Ų97.760%0.60153%0.531SS*.EExtended strand (participates in β ladder)trans-108.9153.2176.5-61.90000110.1E194 F207E194-T196 PolarHBondContact O-N 2.82Å; T196-F207 PolarHBondContact N-O 2.85Å; T196-F207 VanDerWaalsContact N-O 3.16Å; T196-F207 PolarHBondContact O-N 3.12Å
197S91.5Very high79.5Confident62 Ų6294.1 Ų94.143%0.43451%0.509SS..EExtended strand (participates in β ladder)trans-133.4151.5171.472.30000112.5F205S197-F205 CarbonylContact C-O 3.6Å; S197-F205 WeakPolarHBondContact CA-O 3.23Å; S197-F205 WeakPolarHBondContact CB-O 3.44Å
198L92.6Very high81.6Confident78 Ų7890.5 Ų90.541%0.40849%0.493SS..EExtended strand (participates in β ladder)trans-130.1140.4173.859.493.8000109.7V200 R204 F205 F207L198-V200 HydrophobicContact CD1-CG2 3.81Å; L198-R204 CarbonylContact O-C 3.54Å; L198-R204 WeakPolarHBondContact O-CA 3.46Å; L198-F205 HydrophobicContact CD1-CB 3.82Å; L198-F205 HydrophobicContact CD1-CD2 3.57Å; L198-F205 HydrophobicContact CD1-CG 4.04Å; L198-F205 HydrophobicContact CG-CB 3.97Å; L198-F205 PolarHBondContact N-O 3.2Å; L198-F205 PolarHBondContact O-N 3.33Å; L198-F207 HydrophobicContact CD2-CD2 4.39Å; L198-F207 HydrophobicContact CD2-CE2 3.4Å; L198-F207 VanDerWaalsContact CD2-CE2 3.4Å; L198-F207 HydrophobicContact CD2-CZ 3.86Å; L198-F207 HydrophobicContact CG-CE2 3.87Å
199T92.3Very high83.7Confident91 Ų9186 Ų8656%0.55847%0.47SS*.EExtended strand (participates in β ladder)trans-111127.4178.4-57.40000108.6K203T199-K203 WeakPolarHBondContact CA-O 3.4Å
200V91.3Very high85.3Confident72 Ų7281.7 Ų81.744%0.43645%0.445SS..EExtended strand (participates in β ladder)trans-135.1122177.3-178.50000107.4L198 N202 K203L198-V200 HydrophobicContact CD1-CG2 3.81Å; V200-N202 PolarHBondContact O-N 2.9Å; V200-K203 PolarHBondContact N-O 2.93Å; V200-K203 WeakPolarHBondContact O-CA 3.2Å; V200-K203 WeakPolarHBondContact O-CB 3.3Å; V200-K203 PolarHBondContact O-N 3.45Å; V200-K203 VanDerWaalsContact O-O 3.09Å
201D88.4Confident86.6Confident160 Ų16082.2 Ų82.286%0.85645%0.445SS*.THydrogen-bonded Turntrans50.9-124.2-172.8-52.7-42.4000112K203D201-K203 VanDerWaalsContact C-N 3.35Å
202N89.4Confident87.4Confident113 Ų11377.6 Ų77.660%0.60443%0.426SS*.THydrogen-bonded Turntrans-96.925.9175.6-165.827.5000112.7V200V200-N202 PolarHBondContact O-N 2.9Å
203K92.5Very high87Confident68 Ų6880.5 Ų80.530%0.29644%0.437SS..EExtended strand (participates in β ladder)trans-123.4142.3178.7-59.9-177.8-177.4-153.40110.6T199 V200 D201 F205 E222 V223 K224T199-K203 WeakPolarHBondContact CA-O 3.4Å; V200-K203 PolarHBondContact N-O 2.93Å; V200-K203 WeakPolarHBondContact O-CA 3.2Å; V200-K203 WeakPolarHBondContact O-CB 3.3Å; V200-K203 PolarHBondContact O-N 3.45Å; V200-K203 VanDerWaalsContact O-O 3.09Å; D201-K203 VanDerWaalsContact C-N 3.35Å; K203-F205 HydrophobicContact CB-CE2 3.91Å; K203-F205 HydrophobicContact CB-CZ 4.4Å; K203-F205 HydrophobicContact CD-CE2 4.18Å; K203-F205 HydrophobicContact CD-CZ 3.97Å; K203-E222 HydrophobicContact CD-CG 4.25Å; K203-E222 VanDerWaalsContact CD-OE1 3.25Å; K203-E222 WeakPolarHBondContact CD-OE1 3.44Å; K203-E222 WeakPolarHBondContact CE-OE1 3.33Å; K203-E222 IonicContact NZ-OE1 3.66Å; K203-E222 PolarHBondContact NZ-OE1 2.82Å; K203-E222 IonicContact NZ-OE2 3.61Å; K203-V223 WeakPolarHBondContact CA-O 3.44Å; K203-K224 HydrophobicContact CG-CD 4.41Å; K203-K224 HydrophobicContact CG-CG 4.01Å
204R94.1Very high86.7Confident123 Ų12385.5 Ų85.546%0.46445%0.446SS..EExtended strand (participates in β ladder)trans-118.1128.1167.9-168.3178-67174.34.7109.6L198 F206 V223L198-R204 CarbonylContact O-C 3.54Å; L198-R204 WeakPolarHBondContact O-CA 3.46Å; R204-F206 HydrophobicContact CB-CE2 4.12Å; R204-F206 VanDerWaalsContact CD-CE2 3.5Å; R204-F206 HydrophobicContact CG-CD2 4.23Å; R204-F206 HydrophobicContact CG-CE2 3.72Å; R204-F206 HydrophobicContact CG-CZ 3.97Å; R204-V223 PolarHBondContact N-O 3.19Å; R204-V223 PolarHBondContact O-N 2.82Å
205F96.2Very high86.8Confident50 Ų5078.6 Ų78.622%0.21942%0.424CS..EExtended strand (participates in β ladder)trans-103.9126.2174.1-62.5-92.9000109.4S197 L198 K203 F207 S221 E222S197-F205 CarbonylContact C-O 3.6Å; S197-F205 WeakPolarHBondContact CA-O 3.23Å; S197-F205 WeakPolarHBondContact CB-O 3.44Å; L198-F205 HydrophobicContact CD1-CB 3.82Å; L198-F205 HydrophobicContact CD1-CD2 3.57Å; L198-F205 HydrophobicContact CD1-CG 4.04Å; L198-F205 HydrophobicContact CG-CB 3.97Å; L198-F205 PolarHBondContact N-O 3.2Å; L198-F205 PolarHBondContact O-N 3.33Å; K203-F205 HydrophobicContact CB-CE2 3.91Å; K203-F205 HydrophobicContact CB-CZ 4.4Å; K203-F205 HydrophobicContact CD-CE2 4.18Å; K203-F205 HydrophobicContact CD-CZ 3.97Å; F205-F207 HydrophobicContact CB-CE2 3.85Å; F205-F207 HydrophobicContact CB-CZ 4.34Å; F205-S221 CarbonylContact C-O 3.57Å; F205-S221 WeakPolarHBondContact CA-O 3.24Å; F205-E222 HydrophobicContact CD1-CB 3.95Å; F205-E222 HydrophobicContact CD1-CG 4.25Å; F205-E222 HydrophobicContact CE1-CB 3.69Å; F205-E222 HydrophobicContact CE1-CG 3.67Å; F205-E222 HydrophobicContact CZ-CG 4.01Å
206F94.5Very high87Confident60 Ų6079.1 Ų79.126%0.26342%0.419SS..EExtended strand (participates in β ladder)trans-107.4138.8175.5-65.7-95.4000110.1R204 V220 S221 V223R204-F206 HydrophobicContact CB-CE2 4.12Å; R204-F206 VanDerWaalsContact CD-CE2 3.5Å; R204-F206 HydrophobicContact CG-CD2 4.23Å; R204-F206 HydrophobicContact CG-CE2 3.72Å; R204-F206 HydrophobicContact CG-CZ 3.97Å; F206-V220 CarbonylContact O-C 3.51Å; F206-V220 VanDerWaalsContact O-CA 3.27Å; F206-V220 WeakPolarHBondContact O-CA 3.28Å; F206-S221 PolarHBondContact N-O 3.39Å; F206-S221 PolarHBondContact O-N 3.13Å; F206-V223 HydrophobicContact CD2-CB 4.41Å; F206-V223 HydrophobicContact CD2-CG2 3.68Å; F206-V223 HydrophobicContact CE2-CB 4.06Å; F206-V223 HydrophobicContact CE2-CG2 3.66Å
207F95.8Very high87.2Confident65 Ų6576 Ų7629%0.28540%0.398SS..EExtended strand (participates in β ladder)trans-121.387.4177.7-61.4-99.1000107.7G195 T196 L198 F205 M218 V220G195-F207 VanDerWaalsContact CA-O 3.23Å; G195-F207 WeakPolarHBondContact CA-O 3.49Å; T196-F207 PolarHBondContact N-O 2.85Å; T196-F207 VanDerWaalsContact N-O 3.16Å; T196-F207 PolarHBondContact O-N 3.12Å; L198-F207 HydrophobicContact CD2-CD2 4.39Å; L198-F207 HydrophobicContact CD2-CE2 3.4Å; L198-F207 VanDerWaalsContact CD2-CE2 3.4Å; L198-F207 HydrophobicContact CD2-CZ 3.86Å; L198-F207 HydrophobicContact CG-CE2 3.87Å; F205-F207 HydrophobicContact CB-CE2 3.85Å; F205-F207 HydrophobicContact CB-CZ 4.34Å; F207-M218 HydrophobicContact CB-SD 4.42Å; F207-M218 HydrophobicContact CD1-SD 4.09Å; F207-V220 HydrophobicContact CD1-CG1 4.11Å; F207-V220 HydrophobicContact CD1-CG2 3.84Å; F207-V220 HydrophobicContact CE1-CG1 3.75Å; F207-V220 HydrophobicContact CE1-CG2 4.06Å; F207-V220 HydrophobicContact CZ-CG1 4.13Å
208D92.3Very high87.4Confident41 Ų4175.5 Ų75.522%0.21939%0.389CS..EExtended strand (participates in β ladder)trans-96.7121.2-176.7-49.4-41.9000109.3M218 R219D208-M218 CarbonylContact O-C 3.53Å; D208-M218 WeakPolarHBondContact O-CA 3.35Å; D208-R219 HydrophobicContact CB-CB 4.48Å; D208-R219 PolarHBondContact N-O 3.34Å; D208-R219 PolarHBondContact O-N 3.2Å; D208-R219 IonicContact OD2-CZ 3.4Å; D208-R219 IonicContact OD2-NE 3.56Å; D208-R219 PolarHBondContact OD2-NE 2.89Å; D208-R219 IonicContact OD2-NH2 3.74Å; D208-R219 PolarHBondContact OD2-NH2 2.74Å
209V90.4Very high87.5Confident26 Ų2676 Ų7616%0.15839%0.385CS..EExtended strand (participates in β ladder)trans-86.8128.3167.2-177.70000108.7L192 P193 V216 F217 M218 W238L192-V209 HydrophobicContact CB-CG1 4.27Å; L192-V209 HydrophobicContact CD1-CG1 4.33Å; L192-V209 HydrophobicContact CD2-CG1 4.04Å; L192-V209 HydrophobicContact CG-CG1 4.44Å; P193-V209 HydrophobicContact CG-CB 4.04Å; P193-V209 HydrophobicContact CG-CG1 4.22Å; P193-V209 HydrophobicContact CG-CG2 3.85Å; V209-V216 HydrophobicContact CG1-CG1 3.74Å; V209-F217 WeakPolarHBondContact CA-O 3.35Å; V209-M218 HydrophobicContact CG2-CE 3.97Å; V209-W238 HydrophobicContact CG1-CH2 3.82Å; V209-W238 HydrophobicContact CG1-CZ2 4.39Å; V209-W238 HydrophobicContact CG2-CH2 4.13Å
210G85.1Confident87.6Confident17 Ų1773 Ų7318%0.17537%0.367CS..EExtended strand (participates in β ladder)trans-138.1162.7179.200000111.3V216 F217G210-V216 CarbonylContact O-C 3.43Å; G210-V216 WeakPolarHBondContact O-CA 3.48Å; G210-F217 PolarHBondContact N-O 3.43Å; G210-F217 VanDerWaalsContact O-CD1 3.29Å; G210-F217 WeakPolarHBondContact O-CD1 3.3Å; G210-F217 PolarHBondContact O-N 3.49Å; G210-F217 VanDerWaalsContact O-O 3.07Å
211S81.9Confident87.8Confident69 Ų6969.6 Ų69.648%0.48335%0.346SS..EExtended strand (participates in β ladder)trans-118.5146.6171.860.60000109.9
212N73.1Confident88.1Confident77 Ų7764 Ų6441%0.41232%0.315SS..EExtended strand (participates in β ladder)trans-143.4-176.6168.566.535000109.4Y214 G215 F217N212-Y214 PolarHBondContact O-N 2.83Å; N212-Y214 WeakPolarHBondContact OD1-CA 3.27Å; N212-Y214 VanDerWaalsContact OD1-CB 3.31Å; N212-Y214 WeakPolarHBondContact OD1-CB 3.47Å; N212-Y214 PolarHBondContact OD1-N 2.81Å; N212-G215 PolarHBondContact N-O 2.85Å; N212-G215 VanDerWaalsContact N-O 3.08Å; N212-G215 PolarHBondContact O-N 2.81Å; N212-F217 HydrophobicContact CB-CD1 4.5Å; N212-F217 HydrophobicContact CB-CE1 3.92Å; N212-F217 WeakPolarHBondContact ND2-CD1 3.28Å; N212-F217 VanDerWaalsContact ND2-CE1 3.27Å; N212-F217 WeakPolarHBondContact ND2-CE1 3.36Å
213K62.1Low88.3Confident114 Ų11460.4 Ų60.450%0.49630%0.297SS..THydrogen-bonded Turntrans-57.1-11.2178.868.1178.8-177.4169.30115.8
214Y72.1Confident88.2Confident189 Ų18961 Ų6174%0.74130%0.299SS*.THydrogen-bonded Turntrans-104.11.8177.4-57.7-70.8000113N212N212-Y214 PolarHBondContact O-N 2.83Å; N212-Y214 WeakPolarHBondContact OD1-CA 3.27Å; N212-Y214 VanDerWaalsContact OD1-CB 3.31Å; N212-Y214 WeakPolarHBondContact OD1-CB 3.47Å; N212-Y214 PolarHBondContact OD1-N 2.81Å
215G76.7Confident87.9Confident38 Ų3860.4 Ų60.439%0.39231%0.312SS..EExtended strand (participates in β ladder)trans113.1-171.6179.100000113.9N212N212-G215 PolarHBondContact N-O 2.85Å; N212-G215 VanDerWaalsContact N-O 3.08Å; N212-G215 PolarHBondContact O-N 2.81Å
216V87Confident87.5Confident50 Ų5064.6 Ų64.630%0.30334%0.342SS..EExtended strand (participates in β ladder)trans-74.4139.4176.4-178.30000110.3L192 V209 G210 C235 W238L192-V216 HydrophobicContact CD2-CG1 3.97Å; L192-V216 HydrophobicContact CD2-CG2 4.09Å; V209-V216 HydrophobicContact CG1-CG1 3.74Å; G210-V216 CarbonylContact O-C 3.43Å; G210-V216 WeakPolarHBondContact O-CA 3.48Å; V216-C235 HydrophobicContact CB-CB 3.93Å; V216-C235 HydrophobicContact CG1-CB 4.2Å; V216-C235 WeakPolarHBondContact O-CB 3.41Å; V216-C235 PolarHBondContact O-N 3.33Å; V216-W238 HydrophobicContact CG1-CH2 3.83Å; V216-W238 HydrophobicContact CG1-CZ2 4.19Å
217F92.1Very high87.2Confident34 Ų3467.4 Ų67.415%0.14935%0.351CS..EExtended strand (participates in β ladder)trans-143.5158.1178.966.7-90000111V209 G210 N212 R219 T232 V233V209-F217 WeakPolarHBondContact CA-O 3.35Å; G210-F217 PolarHBondContact N-O 3.43Å; G210-F217 VanDerWaalsContact O-CD1 3.29Å; G210-F217 WeakPolarHBondContact O-CD1 3.3Å; G210-F217 PolarHBondContact O-N 3.49Å; G210-F217 VanDerWaalsContact O-O 3.07Å; N212-F217 HydrophobicContact CB-CD1 4.5Å; N212-F217 HydrophobicContact CB-CE1 3.92Å; N212-F217 WeakPolarHBondContact ND2-CD1 3.28Å; N212-F217 VanDerWaalsContact ND2-CE1 3.27Å; N212-F217 WeakPolarHBondContact ND2-CE1 3.36Å; F217-R219 HydrophobicContact CD2-CB 4.44Å; F217-R219 HydrophobicContact CE2-CB 4.21Å; F217-T232 HydrophobicContact CB-CG2 3.79Å; F217-T232 HydrophobicContact CD2-CG2 3.53Å; F217-T232 HydrophobicContact CE2-CG2 4.31Å; F217-T232 HydrophobicContact CG-CG2 3.78Å; F217-V233 CarbonylContact C-O 3.58Å; F217-V233 WeakPolarHBondContact CA-O 3.18Å
218M94.7Very high87Confident50 Ų5070.8 Ų70.825%0.24636%0.362CS..EExtended strand (participates in β ladder)trans-109.9127.9170.1-177.4-179.3-67.500108F207 D208 V209 V220 V233 W238F207-M218 HydrophobicContact CB-SD 4.42Å; F207-M218 HydrophobicContact CD1-SD 4.09Å; D208-M218 CarbonylContact O-C 3.53Å; D208-M218 WeakPolarHBondContact O-CA 3.35Å; V209-M218 HydrophobicContact CG2-CE 3.97Å; M218-V220 HydrophobicContact CG-CG2 4.2Å; M218-V220 HydrophobicContact SD-CG2 4.18Å; M218-V233 PolarHBondContact N-O 3.15Å; M218-V233 PolarHBondContact O-N 3.33Å; M218-W238 HydrophobicContact CB-CZ2 3.65Å
219R94.9Very high87.1Confident88 Ų8872.5 Ų72.533%0.33237%0.372SS..EExtended strand (participates in β ladder)trans-99.7115.4171.1-175.2176.760.7-153-4.1108.8D208 F217 I231D208-R219 HydrophobicContact CB-CB 4.48Å; D208-R219 PolarHBondContact N-O 3.34Å; D208-R219 PolarHBondContact O-N 3.2Å; D208-R219 IonicContact OD2-CZ 3.4Å; D208-R219 IonicContact OD2-NE 3.56Å; D208-R219 PolarHBondContact OD2-NE 2.89Å; D208-R219 IonicContact OD2-NH2 3.74Å; D208-R219 PolarHBondContact OD2-NH2 2.74Å; F217-R219 HydrophobicContact CD2-CB 4.44Å; F217-R219 HydrophobicContact CE2-CB 4.21Å; R219-I231 WeakPolarHBondContact CA-O 3.39Å
220V95.8Very high87.4Confident29 Ų2973.8 Ų73.818%0.17638%0.381CS..EExtended strand (participates in β ladder)trans-98.1112.5173.8-173.70000107.6F206 F207 M218 S230 I231F206-V220 CarbonylContact O-C 3.51Å; F206-V220 VanDerWaalsContact O-CA 3.27Å; F206-V220 WeakPolarHBondContact O-CA 3.28Å; F207-V220 HydrophobicContact CD1-CG1 4.11Å; F207-V220 HydrophobicContact CD1-CG2 3.84Å; F207-V220 HydrophobicContact CE1-CG1 3.75Å; F207-V220 HydrophobicContact CE1-CG2 4.06Å; F207-V220 HydrophobicContact CZ-CG1 4.13Å; M218-V220 HydrophobicContact CG-CG2 4.2Å; M218-V220 HydrophobicContact SD-CG2 4.18Å; V220-S230 CarbonylContact O-C 3.45Å; V220-S230 VanDerWaalsContact O-CA 3.23Å; V220-S230 WeakPolarHBondContact O-CA 3.26Å; V220-I231 HydrophobicContact CB-CD1 4.46Å; V220-I231 HydrophobicContact CB-CG1 3.93Å; V220-I231 PolarHBondContact N-O 2.89Å; V220-I231 PolarHBondContact O-N 3.47Å
221S95.6Very high87.9Confident0 Ų077 Ų770%039%0.394CS..EExtended strand (participates in β ladder)trans-111.9125-177.7-50.10000111.1F205 F206 R228 N229F205-S221 CarbonylContact C-O 3.57Å; F205-S221 WeakPolarHBondContact CA-O 3.24Å; F206-S221 PolarHBondContact N-O 3.39Å; F206-S221 PolarHBondContact O-N 3.13Å; S221-R228 PolarHBondContact OG-NH2 2.92Å; S221-N229 CarbonylContact C-O 3.51Å; S221-N229 VanDerWaalsContact CA-O 3.23Å; S221-N229 WeakPolarHBondContact CA-O 3.32Å
222E94.4Very high88.5Confident43 Ų4377.7 Ų77.720%0.20140%0.395CS..EExtended strand (participates in β ladder)trans-89.4124.3164.2-180-176.3158.900108.9K203 F205 R228 N229K203-E222 HydrophobicContact CD-CG 4.25Å; K203-E222 VanDerWaalsContact CD-OE1 3.25Å; K203-E222 WeakPolarHBondContact CD-OE1 3.44Å; K203-E222 WeakPolarHBondContact CE-OE1 3.33Å; K203-E222 IonicContact NZ-OE1 3.66Å; K203-E222 PolarHBondContact NZ-OE1 2.82Å; K203-E222 IonicContact NZ-OE2 3.61Å; F205-E222 HydrophobicContact CD1-CB 3.95Å; F205-E222 HydrophobicContact CD1-CG 4.25Å; F205-E222 HydrophobicContact CE1-CB 3.69Å; F205-E222 HydrophobicContact CE1-CG 3.67Å; F205-E222 HydrophobicContact CZ-CG 4.01Å; E222-R228 CarbonylContact O-C 3.6Å; E222-R228 WeakPolarHBondContact O-CA 3.2Å; E222-N229 HydrophobicContact CB-CB 4.49Å; E222-N229 PolarHBondContact N-O 3.47Å; E222-N229 PolarHBondContact O-N 2.84Å
223V93.4Very high89.5Confident37 Ų3774.6 Ų74.622%0.22438%0.379CS..EExtended strand (participates in β ladder)trans-123.9128.7-178.4-1750000110.5K203 R204 F206 R228K203-V223 WeakPolarHBondContact CA-O 3.44Å; R204-V223 PolarHBondContact N-O 3.19Å; R204-V223 PolarHBondContact O-N 2.82Å; F206-V223 HydrophobicContact CD2-CB 4.41Å; F206-V223 HydrophobicContact CD2-CG2 3.68Å; F206-V223 HydrophobicContact CE2-CB 4.06Å; F206-V223 HydrophobicContact CE2-CG2 3.66Å; V223-R228 HydrophobicContact CG2-CG 3.96Å
224K90.9Very high91Very high80 Ų8072 Ų7235%0.34837%0.373SS..EExtended strand (participates in β ladder)trans-120.7165.1165.6-70.6-173177.1-177.40108.9K203 T226 Y227K203-K224 HydrophobicContact CG-CD 4.41Å; K203-K224 HydrophobicContact CG-CG 4.01Å; K224-T226 PolarHBondContact O-N 3.23Å; K224-T226 VanDerWaalsContact O-N 3.1Å; K224-Y227 PolarHBondContact N-O 2.75Å; K224-Y227 PolarHBondContact O-N 2.78Å; K224-Y227 VanDerWaalsContact O-O 3.04Å
225P86.6Confident92Very high111 Ų11165.6 Ų65.672%0.72136%0.356SS*.THydrogen-bonded Turntrans-53.1-33.8177-28.735.9000114.5
226T88.9Confident92.6Very high139 Ų13972.8 Ų72.885%0.85338%0.376SS*.THydrogen-bonded Turntrans-108.2-6.9-174.551.40000114.1K224K224-T226 PolarHBondContact O-N 3.23Å; K224-T226 VanDerWaalsContact O-N 3.1Å
227Y87.6Confident93Very high118 Ų11873 Ų7346%0.46338%0.377SS..EExtended strand (participates in β ladder)trans-151.1139-170.4177.5-109.2000112.1K224 N229K224-Y227 PolarHBondContact N-O 2.75Å; K224-Y227 PolarHBondContact O-N 2.78Å; K224-Y227 VanDerWaalsContact O-O 3.04Å; Y227-N229 HydrophobicContact CE1-CB 3.57Å; Y227-N229 VanDerWaalsContact OH-CB 3.29Å; Y227-N229 WeakPolarHBondContact OH-CB 3.45Å; Y227-N229 PolarHBondContact OH-ND2 2.96Å
228R92.3Very high93.1Very high136 Ų13674.8 Ų74.851%0.51338%0.383SS..EExtended strand (participates in β ladder)trans-132.6123.1173177.5165-175.6-108.5-1.1109.8S221 E222 V223S221-R228 PolarHBondContact OG-NH2 2.92Å; E222-R228 CarbonylContact O-C 3.6Å; E222-R228 WeakPolarHBondContact O-CA 3.2Å; V223-R228 HydrophobicContact CG2-CG 3.96Å
229N94.1Very high93Very high78 Ų7876.8 Ų76.842%0.41740%0.403SS..EExtended strand (participates in β ladder)trans-114.4150.7171-158.65.7000109.9S221 E222 Y227S221-N229 CarbonylContact C-O 3.51Å; S221-N229 VanDerWaalsContact CA-O 3.23Å; S221-N229 WeakPolarHBondContact CA-O 3.32Å; E222-N229 HydrophobicContact CB-CB 4.49Å; E222-N229 PolarHBondContact N-O 3.47Å; E222-N229 PolarHBondContact O-N 2.84Å; Y227-N229 HydrophobicContact CE1-CB 3.57Å; Y227-N229 VanDerWaalsContact OH-CB 3.29Å; Y227-N229 WeakPolarHBondContact OH-CB 3.45Å; Y227-N229 PolarHBondContact OH-ND2 2.96Å
230S95.8Very high93Very high52 Ų5280.2 Ų80.236%0.36442%0.42SS..EExtended strand (participates in β ladder)trans-152.4144.8173.463.20000112.9V220V220-S230 CarbonylContact O-C 3.45Å; V220-S230 VanDerWaalsContact O-CA 3.23Å; V220-S230 WeakPolarHBondContact O-CA 3.26Å
231I95.4Very high92.9Very high86 Ų8684 Ų8444%0.44143%0.434SS..EExtended strand (participates in β ladder)trans-110.5154.2166.762.8169.3000109.9R219 V220 V233 F241R219-I231 WeakPolarHBondContact CA-O 3.39Å; V220-I231 HydrophobicContact CB-CD1 4.46Å; V220-I231 HydrophobicContact CB-CG1 3.93Å; V220-I231 PolarHBondContact N-O 2.89Å; V220-I231 PolarHBondContact O-N 3.47Å; I231-V233 HydrophobicContact CD1-CG2 3.97Å; I231-V233 HydrophobicContact CG1-CG2 4.32Å; I231-F241 HydrophobicContact CD1-CZ 4.23Å
232T94.8Very high92.9Very high83 Ų8385.3 Ų85.351%0.50945%0.448SS..EExtended strand (participates in β ladder)trans-117.3121.9173.3-63.10000109.1F217F217-T232 HydrophobicContact CB-CG2 3.79Å; F217-T232 HydrophobicContact CD2-CG2 3.53Å; F217-T232 HydrophobicContact CE2-CG2 4.31Å; F217-T232 HydrophobicContact CG-CG2 3.78Å
233V95.1Very high92.9Very high12 Ų1288.8 Ų88.87%0.07347%0.468CS..EExtended strand (participates in β ladder)trans-112.1112.4-177.7-169.20000108.9F217 M218 I231 V237 W238 F241F217-V233 CarbonylContact C-O 3.58Å; F217-V233 WeakPolarHBondContact CA-O 3.18Å; M218-V233 PolarHBondContact N-O 3.15Å; M218-V233 PolarHBondContact O-N 3.33Å; I231-V233 HydrophobicContact CD1-CG2 3.97Å; I231-V233 HydrophobicContact CG1-CG2 4.32Å; V233-V237 HydrophobicContact CG1-CG2 3.75Å; V233-W238 PolarHBondContact O-NE1 2.81Å; V233-F241 HydrophobicContact CG1-CB 4.47Å; V233-F241 HydrophobicContact CG1-CD2 4.22Å; V233-F241 HydrophobicContact CG1-CG 4.29Å; V233-F241 HydrophobicContact CG2-CE2 4.35Å
234P93.6Very high93.1Very high58 Ų5890.6 Ų90.638%0.37748%0.479SS..EExtended strand (participates in β ladder)trans-62.9142.5177-23.234.1000112.5K236 V237 W238P234-K236 HydrophobicContact CB-CG 4Å; P234-K236 PolarHBondContact O-N 2.87Å; P234-K236 VanDerWaalsContact O-N 3.15Å; P234-V237 WeakPolarHBondContact O-CG2 3.21Å; P234-V237 PolarHBondContact O-N 2.81Å; P234-W238 VanDerWaalsContact O-CD1 3.25Å
235C91.6Very high93.3Very high55 Ų5593.9 Ų93.937%0.37249%0.494SS..G310 helixtrans-52.9-40-178.1178.40000113.4V216 V237 W238V216-C235 HydrophobicContact CB-CB 3.93Å; V216-C235 HydrophobicContact CG1-CB 4.2Å; V216-C235 WeakPolarHBondContact O-CB 3.41Å; V216-C235 PolarHBondContact O-N 3.33Å; C235-V237 PolarHBondContact O-N 3.21Å; C235-W238 VanDerWaalsContact CA-CE2 3.49Å; C235-W238 HydrophobicContact CB-CD2 4.2Å; C235-W238 HydrophobicContact CB-CE3 4.39Å; C235-W238 HydrophobicContact CB-CH2 4.22Å; C235-W238 HydrophobicContact CB-CZ2 4Å; C235-W238 HydrophobicContact CB-CZ3 4.4Å; C235-W238 PolarHBondContact O-N 3.41Å
236K90.8Very high93.8Very high189 Ų18991.9 Ų91.982%0.82248%0.482SS*.G310 helixtrans-55.7-16.2178.363.8175-177.6-177.20115.8P234P234-K236 HydrophobicContact CB-CG 4Å; P234-K236 PolarHBondContact O-N 2.87Å; P234-K236 VanDerWaalsContact O-N 3.15Å
237V94.4Very high94.1Very high54 Ų5490.8 Ų90.833%0.32747%0.465SS..G310 helixtrans-1150.6178.3-61.90000114.3V233 P234 C235 S239 K240 F241V233-V237 HydrophobicContact CG1-CG2 3.75Å; P234-V237 WeakPolarHBondContact O-CG2 3.21Å; P234-V237 PolarHBondContact O-N 2.81Å; C235-V237 PolarHBondContact O-N 3.21Å; V237-S239 VanDerWaalsContact C-N 3.34Å; V237-S239 PolarHBondContact O-N 2.87Å; V237-K240 PolarHBondContact O-N 3.19Å; V237-K240 VanDerWaalsContact O-N 3.12Å; V237-F241 WeakPolarHBondContact O-CB 3.4Å; V237-F241 PolarHBondContact O-N 2.96Å
238W94.1Very high94.6Very high72 Ų7291.6 Ų91.627%0.27347%0.468SS..Hα-helixtrans-56.4-44.2-175.6-71.5-5.2000113.1V209 V216 M218 V233 P234 C235 K240 F241 G242V209-W238 HydrophobicContact CG1-CH2 3.82Å; V209-W238 HydrophobicContact CG1-CZ2 4.39Å; V209-W238 HydrophobicContact CG2-CH2 4.13Å; V216-W238 HydrophobicContact CG1-CH2 3.83Å; V216-W238 HydrophobicContact CG1-CZ2 4.19Å; M218-W238 HydrophobicContact CB-CZ2 3.65Å; V233-W238 PolarHBondContact O-NE1 2.81Å; P234-W238 VanDerWaalsContact O-CD1 3.25Å; C235-W238 VanDerWaalsContact CA-CE2 3.49Å; C235-W238 HydrophobicContact CB-CD2 4.2Å; C235-W238 HydrophobicContact CB-CE3 4.39Å; C235-W238 HydrophobicContact CB-CH2 4.22Å; C235-W238 HydrophobicContact CB-CZ2 4Å; C235-W238 HydrophobicContact CB-CZ3 4.4Å; C235-W238 PolarHBondContact O-N 3.41Å; W238-K240 VanDerWaalsContact C-N 3.32Å; W238-K240 PolarHBondContact O-N 2.81Å; W238-F241 PolarHBondContact O-N 2.84Å; W238-G242 PolarHBondContact O-N 3.49Å
239S92.6Very high94.7Very high93 Ų9387.3 Ų87.365%0.6546%0.462SS*.Hα-helixtrans-60.2-41.9178.9-48.50000112.2V237 N243V237-S239 VanDerWaalsContact C-N 3.34Å; V237-S239 PolarHBondContact O-N 2.87Å; S239-N243 VanDerWaalsContact O-CB 3.3Å; S239-N243 WeakPolarHBondContact O-CB 3.21Å; S239-N243 PolarHBondContact O-N 3.05Å; S239-N243 PolarHBondContact O-ND2 2.87Å; S239-N243 PolarHBondContact O-OD1 3.4Å
240K94.4Very high94.8Very high160 Ų16088.5 Ų88.570%0.69647%0.465SS*.Hα-helixtrans-67.3-45.7177.2-67-176.3-178.7-178.70111V237 W238 N243 T244V237-K240 PolarHBondContact O-N 3.19Å; V237-K240 VanDerWaalsContact O-N 3.12Å; W238-K240 VanDerWaalsContact C-N 3.32Å; W238-K240 PolarHBondContact O-N 2.81Å; K240-N243 PolarHBondContact O-N 3.34Å; K240-T244 PolarHBondContact O-N 2.81Å; K240-T244 PolarHBondContact O-OG1 3.19Å; K240-T244 VanDerWaalsContact O-OG1 3.04Å
241F95.3Very high94.8Very high107 Ų10789.8 Ų89.847%0.46947%0.465SS..Hα-helixtrans-59.6-48.1179.1-167.2-84.5000111.6I231 V233 V237 W238 T244 F245I231-F241 HydrophobicContact CD1-CZ 4.23Å; V233-F241 HydrophobicContact CG1-CB 4.47Å; V233-F241 HydrophobicContact CG1-CD2 4.22Å; V233-F241 HydrophobicContact CG1-CG 4.29Å; V233-F241 HydrophobicContact CG2-CE2 4.35Å; V237-F241 WeakPolarHBondContact O-CB 3.4Å; V237-F241 PolarHBondContact O-N 2.96Å; W238-F241 PolarHBondContact O-N 2.84Å; F241-T244 PolarHBondContact O-N 2.94Å; F241-F245 PolarHBondContact O-N 2.83Å
242G94.1Very high94.7Very high29 Ų2991.1 Ų91.130%0.29947%0.471SS..Hα-helixtrans-63-46.2177.400000112.7W238 T244 F245 C246W238-G242 PolarHBondContact O-N 3.49Å; G242-T244 VanDerWaalsContact C-N 3.31Å; G242-T244 PolarHBondContact O-N 2.77Å; G242-F245 WeakPolarHBondContact O-CB 3.41Å; G242-F245 PolarHBondContact O-N 2.83Å; G242-F245 VanDerWaalsContact O-N 3.1Å; G242-C246 PolarHBondContact O-N 2.85Å; G242-C246 PolarHBondContact O-SG 2.9Å
243N95.3Very high94.7Very high116 Ų11693.8 Ų93.862%0.6247%0.472SS*.Hα-helixtrans-59.8-42.3177.5-71.4-8.6000112.1S239 K240 F245 C246 K247S239-N243 VanDerWaalsContact O-CB 3.3Å; S239-N243 WeakPolarHBondContact O-CB 3.21Å; S239-N243 PolarHBondContact O-N 3.05Å; S239-N243 PolarHBondContact O-ND2 2.87Å; S239-N243 PolarHBondContact O-OD1 3.4Å; K240-N243 PolarHBondContact O-N 3.34Å; N243-F245 VanDerWaalsContact C-N 3.34Å; N243-C246 PolarHBondContact O-N 2.9Å; N243-K247 WeakPolarHBondContact O-CB 3.42Å; N243-K247 PolarHBondContact O-N 3.48Å
244T96.6Very high94.6Very high75 Ų7598.5 Ų98.546%0.4649%0.491SS..Hα-helixtrans-62.1-42.4175-60.50000111.5K240 F241 G242 K247 Y248K240-T244 PolarHBondContact O-N 2.81Å; K240-T244 PolarHBondContact O-OG1 3.19Å; K240-T244 VanDerWaalsContact O-OG1 3.04Å; F241-T244 PolarHBondContact O-N 2.94Å; G242-T244 VanDerWaalsContact C-N 3.31Å; G242-T244 PolarHBondContact O-N 2.77Å; T244-K247 PolarHBondContact O-N 3.31Å; T244-Y248 HydrophobicContact CG2-CD2 3.81Å; T244-Y248 HydrophobicContact CG2-CE2 3.54Å; T244-Y248 WeakPolarHBondContact O-CD2 3.26Å; T244-Y248 PolarHBondContact O-N 3.3Å
245F95.8Very high94.6Very high148 Ų14899.4 Ų99.465%0.64949%0.492SS*.Hα-helixtrans-62.3-47.9177.2-168.9-90.3000112.2F241 G242 N243 K247 Y248 A249F241-F245 PolarHBondContact O-N 2.83Å; G242-F245 WeakPolarHBondContact O-CB 3.41Å; G242-F245 PolarHBondContact O-N 2.83Å; G242-F245 VanDerWaalsContact O-N 3.1Å; N243-F245 VanDerWaalsContact C-N 3.34Å; F245-K247 PolarHBondContact O-N 2.85Å; F245-Y248 PolarHBondContact O-N 3.4Å; F245-A249 PolarHBondContact O-N 3.1Å
246C96.5Very high94.5Very high70 Ų70103.2 Ų103.247%0.47350%0.504SS..Hα-helixtrans-60-43.5178-67.80000112.2G242 N243 Y248 A249 E250G242-C246 PolarHBondContact O-N 2.85Å; G242-C246 PolarHBondContact O-SG 2.9Å; N243-C246 PolarHBondContact O-N 2.9Å; C246-Y248 PolarHBondContact O-N 3.31Å; C246-A249 WeakPolarHBondContact O-CB 3.38Å; C246-A249 PolarHBondContact O-N 2.89Å; C246-E250 PolarHBondContact O-N 2.87Å
247K96.4Very high94.6Very high116 Ų11698.4 Ų98.450%0.50449%0.485SS..Hα-helixtrans-55-50.1176.1-178.6-171.6170.8-173.60111.5N243 T244 F245 A249 E250 E251N243-K247 WeakPolarHBondContact O-CB 3.42Å; N243-K247 PolarHBondContact O-N 3.48Å; T244-K247 PolarHBondContact O-N 3.31Å; F245-K247 PolarHBondContact O-N 2.85Å; K247-A249 VanDerWaalsContact C-N 3.34Å; K247-A249 PolarHBondContact O-N 3.06Å; K247-E250 PolarHBondContact O-N 2.64Å; K247-E251 WeakPolarHBondContact CE-OE1 3.45Å; K247-E251 IonicContact NZ-OE1 2.84Å; K247-E251 PolarHBondContact O-N 2.8Å; K247-E251 VanDerWaalsContact O-N 3.08Å
248Y97.1Very high94.4Very high135 Ų135102.2 Ų102.253%0.52949%0.493SS..Hα-helixtrans-68.5-32.5-179.9-75.3-58.6000113T244 F245 C246 E250 E251 M252T244-Y248 HydrophobicContact CG2-CD2 3.81Å; T244-Y248 HydrophobicContact CG2-CE2 3.54Å; T244-Y248 WeakPolarHBondContact O-CD2 3.26Å; T244-Y248 PolarHBondContact O-N 3.3Å; F245-Y248 PolarHBondContact O-N 3.4Å; C246-Y248 PolarHBondContact O-N 3.31Å; Y248-E250 VanDerWaalsContact C-N 3.33Å; Y248-E250 PolarHBondContact O-N 3.08Å; Y248-E251 WeakPolarHBondContact CD1-OE2 3.25Å; Y248-E251 PolarHBondContact O-N 2.73Å; Y248-M252 WeakPolarHBondContact O-CB 3.21Å; Y248-M252 WeakPolarHBondContact O-CG 3.31Å; Y248-M252 PolarHBondContact O-N 2.8Å
249A95.4Very high93.9Very high46 Ų46102.1 Ų102.138%0.3850%0.504SS..Hα-helixtrans-62.9-39.7174.400000112F245 C246 K247 R253F245-A249 PolarHBondContact O-N 3.1Å; C246-A249 WeakPolarHBondContact O-CB 3.38Å; C246-A249 PolarHBondContact O-N 2.89Å; K247-A249 VanDerWaalsContact C-N 3.34Å; K247-A249 PolarHBondContact O-N 3.06Å; A249-R253 PolarHBondContact O-N 2.77Å; A249-R253 VanDerWaalsContact O-N 3.12Å
250E94.8Very high93.7Very high102 Ų102107 Ų10748%0.47751%0.508SS..Hα-helixtrans-68.3-42.8174.3-70.2179.7-178.500112.7C246 K247 Y248 M252 R253 K254C246-E250 PolarHBondContact O-N 2.87Å; K247-E250 PolarHBondContact O-N 2.64Å; Y248-E250 VanDerWaalsContact C-N 3.33Å; Y248-E250 PolarHBondContact O-N 3.08Å; E250-M252 VanDerWaalsContact C-N 3.32Å; E250-M252 PolarHBondContact O-N 2.82Å; E250-R253 WeakPolarHBondContact O-CB 3.43Å; E250-R253 PolarHBondContact O-N 2.67Å; E250-K254 PolarHBondContact O-N 3.15Å; E250-K254 VanDerWaalsContact O-N 3.1Å
251E95.9Very high93.2Very high80 Ų80105.5 Ų105.537%0.37450%0.503SS..Hα-helixtrans-60.1-42.8176.3-73.6-180-17900111.5K247 Y248 R253 K254 I255K247-E251 WeakPolarHBondContact CE-OE1 3.45Å; K247-E251 IonicContact NZ-OE1 2.84Å; K247-E251 PolarHBondContact O-N 2.8Å; K247-E251 VanDerWaalsContact O-N 3.08Å; Y248-E251 WeakPolarHBondContact CD1-OE2 3.25Å; Y248-E251 PolarHBondContact O-N 2.73Å; E251-R253 PolarHBondContact O-N 2.8Å; E251-K254 PolarHBondContact O-N 2.94Å; E251-I255 WeakPolarHBondContact O-CG1 3.48Å; E251-I255 PolarHBondContact O-N 2.84Å; E251-I255 VanDerWaalsContact O-N 3.08Å
252M94.1Very high92.6Very high113 Ų113107 Ų10756%0.55751%0.51SS*.Hα-helixtrans-63.9-38.4175.9-77.4-64.3176.800112.8Y248 E250 I255 Q256Y248-M252 WeakPolarHBondContact O-CB 3.21Å; Y248-M252 WeakPolarHBondContact O-CG 3.31Å; Y248-M252 PolarHBondContact O-N 2.8Å; E250-M252 VanDerWaalsContact C-N 3.32Å; E250-M252 PolarHBondContact O-N 2.82Å; M252-I255 PolarHBondContact O-N 2.87Å; M252-I255 HydrophobicContact SD-CD1 4.18Å; M252-Q256 WeakPolarHBondContact O-CG 3.29Å; M252-Q256 PolarHBondContact O-N 2.93Å
253R93.9Very high91.9Very high139 Ų139114.3 Ų114.353%0.52553%0.528SS..Hα-helixtrans-59.7-47.3175.1-165.5-169.6-43.9176.99.3111.5A249 E250 E251 I255 Q256 E257A249-R253 PolarHBondContact O-N 2.77Å; A249-R253 VanDerWaalsContact O-N 3.12Å; E250-R253 WeakPolarHBondContact O-CB 3.43Å; E250-R253 PolarHBondContact O-N 2.67Å; E251-R253 PolarHBondContact O-N 2.8Å; R253-I255 VanDerWaalsContact C-N 3.27Å; R253-I255 PolarHBondContact O-N 2.82Å; R253-Q256 PolarHBondContact O-N 3.1Å; R253-Q256 VanDerWaalsContact O-N 3.13Å; R253-E257 WeakPolarHBondContact O-CG 3.3Å; R253-E257 PolarHBondContact O-N 2.66Å
254K93.6Very high91Very high112 Ų112111.5 Ų111.549%0.48752%0.521SS..Hα-helixtrans-60.8-36.2176.6-68.4174-177.8173.20112.3E250 E251 R258E250-K254 PolarHBondContact O-N 3.15Å; E250-K254 VanDerWaalsContact O-N 3.1Å; E251-K254 PolarHBondContact O-N 2.94Å; K254-R258 WeakPolarHBondContact O-CB 3.3Å; K254-R258 WeakPolarHBondContact O-CG 3.42Å; K254-R258 PolarHBondContact O-N 3.11Å; K254-R258 VanDerWaalsContact O-N 3.09Å
255I93.7Very high90.1Very high76 Ų76111.4 Ų111.439%0.3952%0.523SS..Hα-helixtrans-66.7-45175.2-67.1165.3000110.5E251 M252 R253 R258 S259E251-I255 WeakPolarHBondContact O-CG1 3.48Å; E251-I255 PolarHBondContact O-N 2.84Å; E251-I255 VanDerWaalsContact O-N 3.08Å; M252-I255 PolarHBondContact O-N 2.87Å; M252-I255 HydrophobicContact SD-CD1 4.18Å; R253-I255 VanDerWaalsContact C-N 3.27Å; R253-I255 PolarHBondContact O-N 2.82Å; I255-R258 PolarHBondContact O-N 3.3Å; I255-S259 WeakPolarHBondContact O-CB 3.33Å; I255-S259 PolarHBondContact O-N 2.7Å; I255-S259 PolarHBondContact O-OG 3.26Å
256Q90.4Very high88.9Confident135 Ų135111.9 Ų111.963%0.63153%0.528SS*.Hα-helixtrans-64.2-41.7178.9-71.9177.31.700112.2M252 R253 S259 R260M252-Q256 WeakPolarHBondContact O-CG 3.29Å; M252-Q256 PolarHBondContact O-N 2.93Å; R253-Q256 PolarHBondContact O-N 3.1Å; R253-Q256 VanDerWaalsContact O-N 3.13Å; Q256-S259 PolarHBondContact O-N 2.89Å; Q256-R260 WeakPolarHBondContact O-CB 3.25Å; Q256-R260 PolarHBondContact O-N 2.77Å
257E91.4Very high87.4Confident88 Ų88115 Ų11541%0.41154%0.539SS..Hα-helixtrans-61.2-50.9175.8-74.8167.1177.200111.3R253 S259 R260 E261R253-E257 WeakPolarHBondContact O-CG 3.3Å; R253-E257 PolarHBondContact O-N 2.66Å; E257-S259 VanDerWaalsContact C-N 3.3Å; E257-S259 PolarHBondContact O-N 2.75Å; E257-R260 WeakPolarHBondContact O-CB 3.45Å; E257-R260 PolarHBondContact O-N 2.9Å; E257-E261 WeakPolarHBondContact O-CG 3.2Å; E257-E261 PolarHBondContact O-N 2.99Å
258R90.2Very high85.5Confident134 Ų134115.8 Ų115.851%0.50655%0.548SS..Hα-helixtrans-58.9-40.7175.7-75.8-171.4-62.8-109.20.8112.8K254 I255 R260 K262K254-R258 WeakPolarHBondContact O-CB 3.3Å; K254-R258 WeakPolarHBondContact O-CG 3.42Å; K254-R258 PolarHBondContact O-N 3.11Å; K254-R258 VanDerWaalsContact O-N 3.09Å; I255-R258 PolarHBondContact O-N 3.3Å; R258-R260 VanDerWaalsContact C-N 3.32Å; R258-K262 WeakPolarHBondContact O-CB 3.38Å; R258-K262 WeakPolarHBondContact O-CG 3.17Å; R258-K262 PolarHBondContact O-N 3.43Å
259S84.7Confident83.5Confident70 Ų70114.9 Ų114.949%0.4956%0.558SS.*Hα-helixtrans-66-36.2176.3-66.60000111.9I255 Q256 E257 R263I255-S259 WeakPolarHBondContact O-CB 3.33Å; I255-S259 PolarHBondContact O-N 2.7Å; I255-S259 PolarHBondContact O-OG 3.26Å; Q256-S259 PolarHBondContact O-N 2.89Å; E257-S259 VanDerWaalsContact C-N 3.3Å; E257-S259 PolarHBondContact O-N 2.75Å; S259-R263 WeakPolarHBondContact O-CB 3.26Å; S259-R263 PolarHBondContact O-N 2.9Å; S259-R263 VanDerWaalsContact O-N 3.16Å
260R87.3Confident81.4Confident196 Ų196122.1 Ų122.174%0.7459%0.585SS**Hα-helixtrans-70.1-42.9176.4-166.6177.680.7175.65111.7Q256 E257 R258 R263 A264Q256-R260 WeakPolarHBondContact O-CB 3.25Å; Q256-R260 PolarHBondContact O-N 2.77Å; E257-R260 WeakPolarHBondContact O-CB 3.45Å; E257-R260 PolarHBondContact O-N 2.9Å; R258-R260 VanDerWaalsContact C-N 3.32Å; R260-R263 PolarHBondContact O-N 2.78Å; R260-A264 WeakPolarHBondContact O-CB 3.46Å; R260-A264 PolarHBondContact O-N 3.21Å
261E84Confident79.2Confident129 Ų129120.7 Ų120.760%0.60360%0.597SS**Hα-helixtrans-62.5-46.4176.2-74.6171.8178.500111.5E257 R263 A264 S265E257-E261 WeakPolarHBondContact O-CG 3.2Å; E257-E261 PolarHBondContact O-N 2.99Å; E261-R263 VanDerWaalsContact C-N 3.33Å; E261-R263 PolarHBondContact O-N 3.25Å; E261-A264 PolarHBondContact O-N 2.82Å; E261-A264 VanDerWaalsContact O-N 3.13Å; E261-S265 PolarHBondContact O-N 2.84Å; E261-S265 PolarHBondContact O-OG 2.96Å
262K82.8Confident76.8Confident139 Ų139125.7 Ų125.760%0.60462%0.62SS**Hα-helixtrans-56.8-45.9174.4-77.6-177.3177.4-167.90112.5R258 A264 S265 E266R258-K262 WeakPolarHBondContact O-CB 3.38Å; R258-K262 WeakPolarHBondContact O-CG 3.17Å; R258-K262 PolarHBondContact O-N 3.43Å; K262-A264 VanDerWaalsContact C-N 3.31Å; K262-A264 PolarHBondContact O-N 3.28Å; K262-S265 WeakPolarHBondContact CA-OG 3.39Å; K262-S265 PolarHBondContact O-N 3.06Å; K262-S265 PolarHBondContact O-OG 2.92Å; K262-E266 WeakPolarHBondContact O-CG 3.3Å; K262-E266 PolarHBondContact O-N 3.29Å; K262-E266 VanDerWaalsContact O-N 3.1Å
263R80Confident74.5Confident182 Ų182129.5 Ų129.569%0.68764%0.636SS**Hα-helixtrans-66.2-34177.8-168.7177-179.8-177.50.3112.4S259 R260 E261 L267S259-R263 WeakPolarHBondContact O-CB 3.26Å; S259-R263 PolarHBondContact O-N 2.9Å; S259-R263 VanDerWaalsContact O-N 3.16Å; R260-R263 PolarHBondContact O-N 2.78Å; E261-R263 VanDerWaalsContact C-N 3.33Å; E261-R263 PolarHBondContact O-N 3.25Å; R263-L267 HydrophobicContact CG-CD1 4.46Å; R263-L267 WeakPolarHBondContact O-CD1 3.32Å; R263-L267 WeakPolarHBondContact O-CG 3.32Å
264A77Confident72.3Confident57 Ų57125.8 Ų125.847%0.47164%0.641SS.*Hα-helixtrans-71.3-37.317600000112.1R260 E261 K262 L267R260-A264 WeakPolarHBondContact O-CB 3.46Å; R260-A264 PolarHBondContact O-N 3.21Å; E261-A264 PolarHBondContact O-N 2.82Å; E261-A264 VanDerWaalsContact O-N 3.13Å; K262-A264 VanDerWaalsContact C-N 3.31Å; K262-A264 PolarHBondContact O-N 3.28Å; A264-L267 PolarHBondContact O-N 3.15Å
265S76.5Confident70.4Confident72 Ų72127.5 Ų127.550%0.50366%0.656SS.*Hα-helixtrans-69.2-32.2175.850.90000113.4E261 K262 L267E261-S265 PolarHBondContact O-N 2.84Å; E261-S265 PolarHBondContact O-OG 2.96Å; K262-S265 WeakPolarHBondContact CA-OG 3.39Å; K262-S265 PolarHBondContact O-N 3.06Å; K262-S265 PolarHBondContact O-OG 2.92Å; S265-L267 PolarHBondContact O-N 3.25Å
266E70.4Confident68.4Low159 Ų159131.6 Ų131.674%0.74368%0.678SS**THydrogen-bonded Turntrans-73.8-13.1176.1-72.9170.2-177.300113.5K262K262-E266 WeakPolarHBondContact O-CG 3.3Å; K262-E266 PolarHBondContact O-N 3.29Å; K262-E266 VanDerWaalsContact O-N 3.1Å
267L64.9Low66.6Low135 Ų135127.8 Ų127.871%0.70768%0.675SS**THydrogen-bonded Turntrans-98.6-3.2179.1-75165.2000113.5R263 A264 S265R263-L267 HydrophobicContact CG-CD1 4.46Å; R263-L267 WeakPolarHBondContact O-CD1 3.32Å; R263-L267 WeakPolarHBondContact O-CG 3.32Å; A264-L267 PolarHBondContact O-N 3.15Å; S265-L267 PolarHBondContact O-N 3.25Å
268L57.2Low64.9Low133 Ų133131.3 Ų131.370%0.69670%0.697SS**SBendtrans-82.7118.2170.1-71.6168.6000108.3E270L268-E270 PolarHBondContact O-N 2.99Å
269P54.4Low63.2Low115 Ų115132.7 Ų132.775%0.74771%0.714SS**  trans-66.7134.6173.87.82.9000108.7G271P269-G271 PolarHBondContact O-N 3.45Å
270E53Low61.8Low199 Ų199140.6 Ų140.693%0.9375%0.751SS**  trans-56.4102.8163.9-73.6-171.6147.900108L268 Q272L268-E270 PolarHBondContact O-N 2.99Å; E270-Q272 PolarHBondContact O-N 3.1Å
271G48.5Very low60.5Low71 Ų71137.9 Ų137.973%0.73275%0.752SS**  trans-65.2105.3171.400000108.6P269P269-G271 PolarHBondContact O-N 3.45Å
272Q45.1Very low59.3Low186 Ų186138.3 Ų138.387%0.86976%0.76SS**  trans29.4102.5152.3-83.5153.44.300115.5E270 G274E270-Q272 PolarHBondContact O-N 3.1Å; Q272-G274 VanDerWaalsContact C-N 3.33Å; Q272-G274 PolarHBondContact O-N 2.82Å
273H46.2Very low58Low193 Ų193138.3 Ų138.389%0.89477%0.768SS**  trans-47104.2145.3-119.2-44000107.8D275H273-D275 VanDerWaalsContact C-N 3.28Å; H273-D275 PolarHBondContact O-N 3.22Å
274G48.1Very low56.7Low60 Ų60135.7 Ų135.762%0.61977%0.773SS**  trans-66.596.7160.400000106.8Q272 D276Q272-G274 VanDerWaalsContact C-N 3.33Å; Q272-G274 PolarHBondContact O-N 2.82Å; G274-D276 PolarHBondContact O-N 2.93Å
275D53.5Low55.4Low149 Ų149140.6 Ų140.680%0.79779%0.792SS**  trans-63.887.6160.4-178.246000107.2H273 G277H273-D275 VanDerWaalsContact C-N 3.28Å; H273-D275 PolarHBondContact O-N 3.22Å; D275-G277 PolarHBondContact O-N 3.21Å; D275-G277 VanDerWaalsContact O-N 3.1Å
276D51.3Low54Low161 Ų161145.2 Ų145.286%0.86181%0.811SS**  trans-78.881.7160.4-78.2-29.2000106.2G274G274-D276 PolarHBondContact O-N 2.93Å
277G51.9Low52.8Low55 Ų55144.2 Ų144.257%0.56782%0.816SS**  trans-62.5131.216400000109.8D275D275-G277 PolarHBondContact O-N 3.21Å; D275-G277 VanDerWaalsContact O-N 3.1Å
278D57Low51.9Low163 Ų163144.9 Ų144.987%0.87282%0.824SS**  trans-46136.3163.6-74.8-46.4000111.2
279D54.3Low51.5Low163 Ų163145.9 Ų145.987%0.87284%0.835SS**  trans-153.4117.6144.6-115.2-21.1000110.3
280D54.3Low51.2Low236 Ų236148.7 Ų148.7100%1.26284%0.843SS**  trans46.50163.9-95.9-12.2000122.2

Retrieved 280 of 280 residues in 187.2 ms (Link to these results)