A0A075B663_MOUSE Loading...

Immunoglobulin lambda variable 1

AlphaFold DB , UniProt , Accession A0A075B663, Species MOUSE (Mus musculus, Mouse), Gene Iglv1, Length 117 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
1M67Low74.9Confident207 Ų207120.9 Ų120.9100%1.0264%0.641SS**  0-32.20-68.5176.774.200113.4W3 I4M1-W3 VanDerWaalsContact C-N 3.31Å; M1-W3 PolarHBondContact O-N 3.49Å; M1-I4 PolarHBondContact O-N 2.93Å
2A75.6Confident74.6Confident74 Ų74116.3 Ų116.361%0.61263%0.633SS**Hα-helixtrans-61.6-28.1179.600000115.8I4 S5 L6A2-I4 VanDerWaalsContact C-N 3.32Å; A2-I4 PolarHBondContact O-N 3.42Å; A2-S5 PolarHBondContact O-N 2.8Å; A2-L6 PolarHBondContact O-N 3.11Å; A2-L6 VanDerWaalsContact O-N 3.12Å
3W74.6Confident73.9Confident211 Ų211118.8 Ų118.880%0.79964%0.644SS**Hα-helixtrans-70.4-28.3179.8-60.9-10000113.2M1 L6 I7M1-W3 VanDerWaalsContact C-N 3.31Å; M1-W3 PolarHBondContact O-N 3.49Å; W3-L6 PolarHBondContact O-N 3.35Å; W3-I7 WeakPolarHBondContact O-CB 3.44Å; W3-I7 VanDerWaalsContact O-CG1 3.23Å; W3-I7 WeakPolarHBondContact O-CG1 3.01Å; W3-I7 PolarHBondContact O-N 3.01Å
4I78.9Confident73.5Confident108 Ų108117.2 Ų117.255%0.55465%0.646SS**Hα-helixtrans-65.1-46.1175.2-61166.5000108.8M1 A2 L6 I7 L8M1-I4 PolarHBondContact O-N 2.93Å; A2-I4 VanDerWaalsContact C-N 3.32Å; A2-I4 PolarHBondContact O-N 3.42Å; I4-L6 PolarHBondContact O-N 2.89Å; I4-I7 PolarHBondContact O-N 3.09Å; I4-L8 HydrophobicContact CG2-CD1 3.48Å; I4-L8 VanDerWaalsContact CG2-CD1 3.48Å; I4-L8 WeakPolarHBondContact O-CD1 3.28Å; I4-L8 PolarHBondContact O-N 3.31Å
5S77.4Confident73.3Confident77 Ų77115.7 Ų115.754%0.53865%0.647SS.*Hα-helixtrans-61.3-41175.2-52.80000112.6A2 L8 S9A2-S5 PolarHBondContact O-N 2.8Å; S5-L8 PolarHBondContact O-N 2.91Å; S5-S9 WeakPolarHBondContact O-CB 3.31Å; S5-S9 PolarHBondContact O-N 3.06Å; S5-S9 PolarHBondContact O-OG 2.99Å
6L77.6Confident73.1Confident125 Ų125112.8 Ų112.865%0.65465%0.651SS**Hα-helixtrans-65.6-41.7177.9-160.483.5000112.1A2 W3 I4 S9 L10A2-L6 PolarHBondContact O-N 3.11Å; A2-L6 VanDerWaalsContact O-N 3.12Å; W3-L6 PolarHBondContact O-N 3.35Å; I4-L6 PolarHBondContact O-N 2.89Å; L6-S9 PolarHBondContact O-N 3.43Å; L6-L10 WeakPolarHBondContact O-CB 3.28Å; L6-L10 PolarHBondContact O-N 2.96Å
7I79.8Confident73.1Confident98 Ų98112 Ų11250%0.50366%0.661SS.*Hα-helixtrans-64.6-47.4175.6-70.5167.8000110W3 I4 S9 L10 L11W3-I7 WeakPolarHBondContact O-CB 3.44Å; W3-I7 VanDerWaalsContact O-CG1 3.23Å; W3-I7 WeakPolarHBondContact O-CG1 3.01Å; W3-I7 PolarHBondContact O-N 3.01Å; I4-I7 PolarHBondContact O-N 3.09Å; I7-S9 VanDerWaalsContact C-N 3.32Å; I7-S9 PolarHBondContact O-N 3.37Å; I7-L10 PolarHBondContact O-N 2.91Å; I7-L10 VanDerWaalsContact O-N 3.15Å; I7-L11 HydrophobicContact CG2-CD1 3.37Å; I7-L11 WeakPolarHBondContact O-CD1 3.47Å; I7-L11 PolarHBondContact O-N 3.08Å
8L75.3Confident72.9Confident116 Ų116114.7 Ų114.761%0.60767%0.671SS**Hα-helixtrans-59.6-41.6176.2-90.798000112.3I4 S5 L11 A12I4-L8 HydrophobicContact CG2-CD1 3.48Å; I4-L8 VanDerWaalsContact CG2-CD1 3.48Å; I4-L8 WeakPolarHBondContact O-CD1 3.28Å; I4-L8 PolarHBondContact O-N 3.31Å; S5-L8 PolarHBondContact O-N 2.91Å; L8-L11 PolarHBondContact O-N 2.7Å; L8-A12 WeakPolarHBondContact O-CB 3.34Å; L8-A12 PolarHBondContact O-N 2.83Å
9S74.7Confident72.9Confident69 Ų69114.4 Ų114.448%0.48368%0.675SS.*Hα-helixtrans-62.9-41.7174.7-610000111.9S5 L6 I7 A12 L13S5-S9 WeakPolarHBondContact O-CB 3.31Å; S5-S9 PolarHBondContact O-N 3.06Å; S5-S9 PolarHBondContact O-OG 2.99Å; L6-S9 PolarHBondContact O-N 3.43Å; I7-S9 VanDerWaalsContact C-N 3.32Å; I7-S9 PolarHBondContact O-N 3.37Å; S9-A12 PolarHBondContact O-N 2.98Å; S9-L13 WeakPolarHBondContact O-CD1 3.34Å; S9-L13 PolarHBondContact O-N 2.87Å
10L71.7Confident73.4Confident130 Ų130116.7 Ų116.768%0.68168%0.679SS**Hα-helixtrans-67.7-38.5179.2-166.270.4000112.3L6 I7 A12 L13L6-L10 WeakPolarHBondContact O-CB 3.28Å; L6-L10 PolarHBondContact O-N 2.96Å; I7-L10 PolarHBondContact O-N 2.91Å; I7-L10 VanDerWaalsContact O-N 3.15Å; L10-A12 VanDerWaalsContact C-N 3.31Å; L10-L13 PolarHBondContact O-N 2.94Å
11L71.5Confident74Confident115 Ų115112.8 Ų112.860%0.60266%0.661SS**Hα-helixtrans-66.8-31.4172.7-86.199.3000112.5I7 L8 L13 S14I7-L11 HydrophobicContact CG2-CD1 3.37Å; I7-L11 WeakPolarHBondContact O-CD1 3.47Å; I7-L11 PolarHBondContact O-N 3.08Å; L8-L11 PolarHBondContact O-N 2.7Å; L11-L13 VanDerWaalsContact C-N 3.33Å; L11-S14 PolarHBondContact O-OG 3.21Å
12A70.7Confident75.2Confident66 Ų66106.7 Ų106.755%0.54564%0.635SS.*Hα-helixtrans-72.8-24.9176.800000113.2L8 S9 L10 S15L8-A12 WeakPolarHBondContact O-CB 3.34Å; L8-A12 PolarHBondContact O-N 2.83Å; S9-A12 PolarHBondContact O-N 2.98Å; L10-A12 VanDerWaalsContact C-N 3.31Å; A12-S15 PolarHBondContact O-OG 3.26Å
13L65.4Low76.1Confident149 Ų149106 Ų10678%0.7862%0.623SS**Hα-helixtrans-82.7-16.1178.1-92.982.2000113.9S9 L10 L11S9-L13 WeakPolarHBondContact O-CD1 3.34Å; S9-L13 PolarHBondContact O-N 2.87Å; L10-L13 PolarHBondContact O-N 2.94Å; L11-L13 VanDerWaalsContact C-N 3.33Å
14S69Low77.2Confident96 Ų9699.3 Ų99.367%0.67161%0.605SS**SBendtrans-92.8-3.6-176.962.10000114.5L11 G16L11-S14 PolarHBondContact O-OG 3.21Å; S14-G16 PolarHBondContact O-N 3.25Å
15S71Confident78Confident94 Ų9497.6 Ų97.666%0.65760%0.595SS**  trans-81.966.3173.446.40000111.3A12 A17A12-S15 PolarHBondContact O-OG 3.26Å; S15-A17 PolarHBondContact O-N 3.32Å
16G69Low78.7Confident69 Ų6999 Ų9971%0.71159%0.593SS**  trans-61107.5160.900000109S14 I18S14-G16 PolarHBondContact O-N 3.25Å; G16-I18 PolarHBondContact O-N 3.2Å
17A74.3Confident79.2Confident100 Ų10099.4 Ų99.483%0.82661%0.606SS**  trans-76107.217400000109S15 S19S15-A17 PolarHBondContact O-N 3.32Å; A17-S19 PolarHBondContact O-N 3.45Å
18I69.5Low79.8Confident161 Ų16198.7 Ų98.783%0.82662%0.615SS**  trans-75.6112.1170.3-56.2173.3000106.8G16 Q20G16-I18 PolarHBondContact O-N 3.2Å; I18-Q20 PolarHBondContact O-N 3.18Å
19S72.9Confident80.7Confident109 Ų10996.2 Ų96.276%0.76260%0.602SS**  trans-75.4115.5171.2-176.60000108.7A17A17-S19 PolarHBondContact O-N 3.45Å
20Q82.7Confident81.6Confident159 Ų15999.8 Ų99.874%0.74362%0.621SS**  trans-85.2140.9174.3-174.1175.4-20.800110.1I18 V22I18-Q20 PolarHBondContact O-N 3.18Å; Q20-V22 PolarHBondContact O-N 3.34Å
21A86Confident82.7Confident36 Ų3696.3 Ų96.330%0.29861%0.605SS.*  trans-64.2129.4171.100000110.4T45 Y113A21-T45 HydrophobicContact CB-CG2 3.7Å; A21-Y113 HydrophobicContact CB-CE2 4.46Å
22V92.4Very high83.9Confident79 Ų7994 Ų9448%0.47960%0.598SS.*  trans-116.1134.7179.9-179.70000108.9Q20 S44Q20-V22 PolarHBondContact O-N 3.34Å; V22-S44 PolarHBondContact N-OG 3.42Å; V22-S44 PolarHBondContact O-N 2.6Å; V22-S44 PolarHBondContact O-OG 2.98Å
23V94.5Very high85.1Confident59 Ų5995.7 Ų95.736%0.35860%0.604SS.*EExtended strand (participates in β ladder)trans-92.9130171.1-176.70000108.2C41 R42 C109 L111V23-C41 WeakPolarHBondContact CG1-SG 3.25Å; V23-R42 WeakPolarHBondContact CA-O 3.26Å; V23-C109 HydrophobicContact CG1-CB 4.42Å; V23-L111 HydrophobicContact CG1-CD1 4.31Å; V23-L111 HydrophobicContact CG1-CG 4.34Å; V23-L111 HydrophobicContact CG2-CB 4.33Å; V23-L111 HydrophobicContact CG2-CD1 3.99Å; V23-L111 HydrophobicContact CG2-CG 4.04Å
24T95.9Very high86.6Confident71 Ų7191.2 Ų91.244%0.43659%0.594SS.*EExtended strand (participates in β ladder)trans-118.6129177-48.70000109.6C41 R42T24-C41 CarbonylContact O-C 3.59Å; T24-C41 WeakPolarHBondContact O-CA 3.31Å; T24-R42 PolarHBondContact N-O 2.87Å; T24-R42 PolarHBondContact O-N 2.92Å
25Q95.7Very high88Confident71 Ų7191.2 Ų91.233%0.33258%0.584SS.*EExtended strand (participates in β ladder)trans-137.4165.6173.657.7178.369.300108.8T40 C41 Y107 C109Q25-T40 WeakPolarHBondContact CA-O 3.24Å; Q25-T40 VanDerWaalsContact CB-O 3.28Å; Q25-T40 WeakPolarHBondContact CB-O 3.44Å; Q25-C41 HydrophobicContact CB-CB 4.48Å; Q25-Y107 PolarHBondContact NE2-O 3.37Å; Q25-C109 VanDerWaalsContact OE1-N 3.13Å
26E92.1Very high89.3Confident108 Ų10890.8 Ų90.851%0.50558%0.577SS.*  trans-65.6140.6172.4-63.3-161.4146.800110.7L29E26-L29 HydrophobicContact CB-CD1 3.56Å; E26-L29 HydrophobicContact CG-CD1 4.45Å; E26-L29 WeakPolarHBondContact OE2-CD1 3.38Å; E26-L29 WeakPolarHBondContact OE2-CD2 3.28Å; E26-L29 WeakPolarHBondContact OE2-CG 3.36Å
27S89.4Confident90.6Very high133 Ų13388.4 Ų88.493%0.9355%0.549SS*.SBendtrans-77.1-35.2-172.450.80000113.4
28A92.1Very high91.7Very high83 Ų8386 Ų8669%0.68652%0.524SS*.  trans-154137.1178.200000109.6
29L93.7Very high93.1Very high64 Ų6479.3 Ų79.334%0.33549%0.49SS..  trans-125.8145.9169.2-73.487.7000108.9E26 V37 L39E26-L29 HydrophobicContact CB-CD1 3.56Å; E26-L29 HydrophobicContact CG-CD1 4.45Å; E26-L29 WeakPolarHBondContact OE2-CD1 3.38Å; E26-L29 WeakPolarHBondContact OE2-CD2 3.28Å; E26-L29 WeakPolarHBondContact OE2-CG 3.36Å; L29-V37 HydrophobicContact CB-CG2 4.35Å; L29-V37 HydrophobicContact CD2-CG2 3.61Å; L29-L39 HydrophobicContact CD1-CG 4.37Å
30T94.7Very high94.3Very high143 Ų14375.8 Ų75.888%0.87746%0.464SS*.  trans-121145.3170.556.30000109.1
31T93.9Very high94.9Very high58 Ų5868.3 Ų68.336%0.35643%0.429SS..  trans-150.9153.4179.6-170.70000109.7E35 V37 A99T31-E35 WeakPolarHBondContact OG1-CB 3.11Å; T31-E35 PolarHBondContact OG1-OE2 2.71Å; T31-V37 HydrophobicContact CG2-CB 4.12Å; T31-V37 HydrophobicContact CG2-CG1 4.06Å; T31-A99 HydrophobicContact CG2-CB 3.76Å
32S96.2Very high95.4Very high65 Ų6571.6 Ų71.646%0.45543%0.433SS..  trans-84.7150.9176.2-51.40000111G34 E35S32-G34 PolarHBondContact O-N 2.8Å; S32-E35 PolarHBondContact N-OE2 2.96Å; S32-E35 WeakPolarHBondContact O-CB 3.44Å; S32-E35 PolarHBondContact O-N 2.93Å; S32-E35 VanDerWaalsContact O-N 3.11Å
33P96.6Very high95.5Very high103 Ų10368 Ų6867%0.66941%0.411SS*.THydrogen-bonded Turntrans-53.2134.5173.5-2735.2000112.5E35 A99P33-E35 VanDerWaalsContact C-N 3.33Å; P33-A99 CarbonylContact C-O 3.5Å; P33-A99 VanDerWaalsContact CA-O 3.28Å; P33-A99 WeakPolarHBondContact CA-O 3.28Å
34G97.3Very high95.4Very high55 Ų5568 Ų6857%0.56741%0.414SS*.THydrogen-bonded Turntrans88-12.8-178.200000115.1S32 A99S32-G34 PolarHBondContact O-N 2.8Å; G34-A99 PolarHBondContact N-O 3.25Å
35E98Very high95.1Very high96 Ų9668.5 Ų68.545%0.44942%0.418SS..  trans-75.8170.1177.3-69.8-178.8164.200112.4T31 S32 P33 G98 A99T31-E35 WeakPolarHBondContact OG1-CB 3.11Å; T31-E35 PolarHBondContact OG1-OE2 2.71Å; S32-E35 PolarHBondContact N-OE2 2.96Å; S32-E35 WeakPolarHBondContact O-CB 3.44Å; S32-E35 PolarHBondContact O-N 2.93Å; S32-E35 VanDerWaalsContact O-N 3.11Å; P33-E35 VanDerWaalsContact C-N 3.33Å; E35-G98 WeakPolarHBondContact O-CA 3.35Å; E35-G98 PolarHBondContact O-N 3.21Å; E35-A99 PolarHBondContact O-N 3.21Å
36T98.1Very high94.8Very high85 Ų8566.8 Ų66.852%0.52142%0.419SS..EExtended strand (participates in β ladder)trans-105124.9170.8-62.40000109.4T95 I96 T97T36-T95 HydrophobicContact CG2-CG2 3.65Å; T36-I96 VanDerWaalsContact CA-O 3.31Å; T36-I96 WeakPolarHBondContact CA-O 3.29Å; T36-T97 HydrophobicContact CG2-CG2 3.94Å
37V97.2Very high94.9Very high19 Ų1963.9 Ų63.912%0.11541%0.413CS..EExtended strand (participates in β ladder)trans-115.5143.3174.9620000109.8L29 T31 T95 I96L29-V37 HydrophobicContact CB-CG2 4.35Å; L29-V37 HydrophobicContact CD2-CG2 3.61Å; T31-V37 HydrophobicContact CG2-CB 4.12Å; T31-V37 HydrophobicContact CG2-CG1 4.06Å; V37-T95 WeakPolarHBondContact O-CA 3.44Å; V37-I96 HydrophobicContact CG1-CB 3.82Å; V37-I96 HydrophobicContact CG1-CD1 4.11Å; V37-I96 HydrophobicContact CG1-CG1 4.23Å; V37-I96 PolarHBondContact N-O 3.04Å; V37-I96 PolarHBondContact O-N 3.24Å
38T97.8Very high95.2Very high50 Ų5057.7 Ų57.731%0.30737%0.37SS..EExtended strand (participates in β ladder)trans-127114.1177.8-58.40000109.8T40 I88 A93 L94T38-T40 HydrophobicContact CG2-CG2 4.32Å; T38-I88 HydrophobicContact CG2-CD1 3.94Å; T38-A93 HydrophobicContact CG2-CB 3.91Å; T38-L94 CarbonylContact C-O 3.09Å; T38-L94 WeakPolarHBondContact CA-O 3.47Å
39L97.6Very high95.3Very high20 Ų2056.1 Ų56.111%0.10535%0.352CS..EExtended strand (participates in β ladder)trans-86.4143.3170.8-60.787.5000108.6L29 W56 A93 L94 I96 Y107L29-L39 HydrophobicContact CD1-CG 4.37Å; L39-W56 HydrophobicContact CB-CH2 3.89Å; L39-W56 HydrophobicContact CB-CZ3 4.04Å; L39-A93 CarbonylContact O-C 3.52Å; L39-A93 WeakPolarHBondContact O-CA 3.31Å; L39-L94 HydrophobicContact CB-CB 4.4Å; L39-L94 HydrophobicContact CD1-CD2 4.33Å; L39-L94 PolarHBondContact N-O 3.31Å; L39-L94 PolarHBondContact O-N 2.9Å; L39-I96 HydrophobicContact CD1-CD1 4.04Å; L39-I96 HydrophobicContact CD1-CG1 4.48Å; L39-Y107 HydrophobicContact CD2-CD2 4.14Å; L39-Y107 HydrophobicContact CD2-CG 4.01Å
40T97.5Very high95.2Very high35 Ų3558.4 Ų58.422%0.21537%0.368CS..EExtended strand (participates in β ladder)trans-125.4151.317665.20000112.3Q25 T38 I88 A92 A93Q25-T40 WeakPolarHBondContact CA-O 3.24Å; Q25-T40 VanDerWaalsContact CB-O 3.28Å; Q25-T40 WeakPolarHBondContact CB-O 3.44Å; T38-T40 HydrophobicContact CG2-CG2 4.32Å; T40-I88 HydrophobicContact CG2-CD1 4.37Å; T40-A92 CarbonylContact C-O 3.53Å; T40-A92 VanDerWaalsContact CA-O 3.26Å; T40-A92 WeakPolarHBondContact CA-O 3.16Å; T40-A93 HydrophobicContact CG2-CB 4.39Å
41C96Very high95Very high1 Ų154.8 Ų54.81%0.00735%0.349CS..EExtended strand (participates in β ladder)trans-142.2131.7-176.9168.10000110.2V23 T24 Q25 W56 K91 A92 C109V23-C41 WeakPolarHBondContact CG1-SG 3.25Å; T24-C41 CarbonylContact O-C 3.59Å; T24-C41 WeakPolarHBondContact O-CA 3.31Å; Q25-C41 HydrophobicContact CB-CB 4.48Å; C41-W56 HydrophobicContact CB-CH2 3.74Å; C41-W56 HydrophobicContact CB-CZ2 3.81Å; C41-K91 CarbonylContact O-C 3.17Å; C41-K91 WeakPolarHBondContact O-CA 3.47Å; C41-K91 WeakPolarHBondContact O-CB 3.42Å; C41-A92 HydrophobicContact CB-CB 4.41Å; C41-A92 PolarHBondContact N-O 3.41Å; C41-A92 PolarHBondContact O-N 3.47Å; C41-C109 HydrophobicContact CB-CB 3.39Å; C41-C109 WeakPolarHBondContact CB-SG 3.05Å; C41-C109 WeakPolarHBondContact SG-CB 3.4Å; C41-C109 CovalentContact SG-SG 2.02Å; C41-C109 PolarHBondContact SG-SG 2.88Å
42R96.1Very high94.9Very high105 Ų10553.6 Ų53.640%0.39634%0.34SS..EExtended strand (participates in β ladder)trans-130.8156.3179.764179.5-114.3109.8-2.9112V23 T24 D90 K91V23-R42 WeakPolarHBondContact CA-O 3.26Å; T24-R42 PolarHBondContact N-O 2.87Å; T24-R42 PolarHBondContact O-N 2.92Å; R42-D90 IonicContact NH1-OD2 3.72Å; R42-K91 HydrophobicContact CB-CD 4.49Å; R42-K91 HydrophobicContact CB-CG 4.14Å
43S94.7Very high94.8Very high3 Ų353.7 Ų53.72%0.02133%0.332CS..EExtended strand (participates in β ladder)trans-93.4147.3171.4175.30000111.4T45 G46 Y113S43-T45 VanDerWaalsContact C-N 3.3Å; S43-T45 PolarHBondContact OG-N 3.12Å; S43-T45 PolarHBondContact OG-OG1 2.84Å; S43-G46 WeakPolarHBondContact CB-O 3.49Å; S43-Y113 WeakPolarHBondContact CB-OH 3.41Å; S43-Y113 WeakPolarHBondContact OG-CE1 3.05Å; S43-Y113 PolarHBondContact OG-OH 3.37Å
44S92Very high94.7Very high60 Ų6048.8 Ų48.842%0.4230%0.3SS..SBendtrans-75.5-15.616870.20000113.9V22V22-S44 PolarHBondContact N-OG 3.42Å; V22-S44 PolarHBondContact O-N 2.6Å; V22-S44 PolarHBondContact O-OG 2.98Å
45T89.8Confident94.7Very high82 Ų8248.5 Ų48.550%0.50329%0.285SS..SBendtrans-108.8-3.2-172.257.30000114.1A21 S43A21-T45 HydrophobicContact CB-CG2 3.7Å; S43-T45 VanDerWaalsContact C-N 3.3Å; S43-T45 PolarHBondContact OG-N 3.12Å; S43-T45 PolarHBondContact OG-OG1 2.84Å
46G90.8Very high94.7Very high35 Ų3544 Ų4436%0.36126%0.264SS..SBendtrans167.7-176.1175.900000114.5S43S43-G46 WeakPolarHBondContact CB-O 3.49Å
47A94.3Very high94.6Very high47 Ų4741.7 Ų41.739%0.38825%0.25SC..  trans-73.3139.5176.200000111.2T49 D90A47-T49 HydrophobicContact CB-CG2 4.15Å; A47-D90 HydrophobicContact CB-CB 3.92Å
48V94.8Very high94.6Very high3 Ų341.3 Ų41.32%0.01825%0.247CC..  trans-75.6125.9165.9-173.10000107.7N52 L87 D90 A92 L111V48-N52 CarbonylContact C-O 3.53Å; V48-N52 VanDerWaalsContact CA-O 3.31Å; V48-N52 WeakPolarHBondContact CA-O 3.34Å; V48-N52 WeakPolarHBondContact CG1-O 3.43Å; V48-L87 HydrophobicContact CB-CD2 4.37Å; V48-L87 HydrophobicContact CG1-CD2 3.89Å; V48-D90 WeakPolarHBondContact CB-O 3.46Å; V48-D90 PolarHBondContact N-O 3.01Å; V48-A92 HydrophobicContact CG1-CB 3.83Å; V48-L111 HydrophobicContact CG1-CD2 4.03Å; V48-L111 HydrophobicContact CG2-CD1 4Å; V48-L111 HydrophobicContact CG2-CD2 3.9Å
49T94.6Very high94.4Very high50 Ų5042 Ų4231%0.30725%0.246SC..  trans-137.3-176.5-175.568.80000110.2A47 S51 N52 Y53A47-T49 HydrophobicContact CB-CG2 4.15Å; T49-S51 PolarHBondContact O-N 3.29Å; T49-S51 PolarHBondContact OG1-N 2.88Å; T49-S51 VanDerWaalsContact OG1-N 3.14Å; T49-N52 PolarHBondContact N-O 2.78Å; T49-N52 CarbonylContact O-C 3.38Å; T49-N52 PolarHBondContact O-N 3.47Å; T49-N52 PolarHBondContact OG1-N 2.88Å; T49-Y53 VanDerWaalsContact O-CA 3.3Å; T49-Y53 WeakPolarHBondContact O-CA 3.36Å; T49-Y53 PolarHBondContact O-N 3.44Å
50T90.7Very high94.2Very high111 Ų11143.3 Ų43.368%0.68125%0.251SS*.SBendtrans-64.7-20.8169.8520000113.1
51S90.9Very high93.7Very high68 Ų6847.5 Ų47.548%0.47628%0.279SS..SBendtrans-95.6-30.1177.3-56.60000112.8T49 S114T49-S51 PolarHBondContact O-N 3.29Å; T49-S51 PolarHBondContact OG1-N 2.88Å; T49-S51 VanDerWaalsContact OG1-N 3.14Å; S51-S114 WeakPolarHBondContact O-CB 3.26Å; S51-S114 PolarHBondContact O-OG 3.29Å
52N92.1Very high93.1Very high32 Ų3254.9 Ų54.917%0.17132%0.318CS..EExtended strand (participates in β ladder)trans-112.976.6171.8-67.5-24.3000108.1V48 T49 W112 Y113 S114V48-N52 CarbonylContact C-O 3.53Å; V48-N52 VanDerWaalsContact CA-O 3.31Å; V48-N52 WeakPolarHBondContact CA-O 3.34Å; V48-N52 WeakPolarHBondContact CG1-O 3.43Å; T49-N52 PolarHBondContact N-O 2.78Å; T49-N52 CarbonylContact O-C 3.38Å; T49-N52 PolarHBondContact O-N 3.47Å; T49-N52 PolarHBondContact OG1-N 2.88Å; N52-W112 CarbonylContact C-O 3.57Å; N52-W112 VanDerWaalsContact CA-O 3.23Å; N52-W112 WeakPolarHBondContact CA-O 3.47Å; N52-Y113 HydrophobicContact CB-CD1 4.15Å; N52-Y113 WeakPolarHBondContact OD1-CA 3.48Å; N52-S114 PolarHBondContact OD1-N 3.37Å; N52-S114 PolarHBondContact OD1-OG 3.47Å
53Y93.3Very high92.2Very high68 Ų6855.4 Ų55.427%0.26733%0.325SS..EExtended strand (participates in β ladder)trans-97.2160.7-164.753.9-96.6000112.7T49 T72 L111 W112T49-Y53 VanDerWaalsContact O-CA 3.3Å; T49-Y53 WeakPolarHBondContact O-CA 3.36Å; T49-Y53 PolarHBondContact O-N 3.44Å; Y53-T72 WeakPolarHBondContact CB-OG1 3.49Å; Y53-L111 WeakPolarHBondContact O-CA 3.43Å; Y53-W112 HydrophobicContact CD2-CB 4.08Å; Y53-W112 HydrophobicContact CE1-CB 4.42Å; Y53-W112 AromaticContact CE1-CD1 3.78Å; Y53-W112 HydrophobicContact CE1-CG 4.36Å; Y53-W112 HydrophobicContact CE2-CB 3.66Å; Y53-W112 HydrophobicContact CE2-CG 4.09Å; Y53-W112 AromaticContact CZ-CD1 3.56Å; Y53-W112 AromaticContact CZ-CG 3.8Å; Y53-W112 PolarHBondContact N-O 2.81Å; Y53-W112 VanDerWaalsContact N-O 3.13Å; Y53-W112 PolarHBondContact O-N 3.21Å
54A95.6Very high91.9Very high0 Ų062.8 Ų62.80%036%0.364CS..EExtended strand (participates in β ladder)trans-99149.8172.300000111.8T72 A92 A110 L111A54-T72 PolarHBondContact O-N 3.08Å; A54-T72 VanDerWaalsContact O-N 3.08Å; A54-A92 HydrophobicContact CB-CB 3.23Å; A54-A110 CarbonylContact C-O 3.49Å; A54-A110 WeakPolarHBondContact CA-O 3.18Å; A54-L111 HydrophobicContact CB-CD2 3.58Å
55N96.8Very high91.9Very high48 Ų4866.2 Ų66.226%0.25737%0.371SS..EExtended strand (participates in β ladder)trans-115.7142161.1-51-83.4000108I69 G70 G71 C109 A110N55-I69 CarbonylContact C-O 3.57Å; N55-I69 WeakPolarHBondContact CA-O 3.39Å; N55-G70 WeakPolarHBondContact OD1-CA 3.38Å; N55-G71 PolarHBondContact OD1-N 3.13Å; N55-G71 VanDerWaalsContact OD1-N 3.14Å; N55-C109 WeakPolarHBondContact O-CA 3.36Å; N55-A110 PolarHBondContact N-O 2.82Å; N55-A110 PolarHBondContact O-N 3.06Å
56W97.7Very high92.1Very high2 Ų265.1 Ų65.11%0.00836%0.364CS..EExtended strand (participates in β ladder)trans-112.8132.1179.6-70.397.2000110L39 C41 L68 I69 A92 L94 F108 C109L39-W56 HydrophobicContact CB-CH2 3.89Å; L39-W56 HydrophobicContact CB-CZ3 4.04Å; C41-W56 HydrophobicContact CB-CH2 3.74Å; C41-W56 HydrophobicContact CB-CZ2 3.81Å; W56-L68 HydrophobicContact CB-CB 4.27Å; W56-L68 WeakPolarHBondContact O-CB 3.47Å; W56-L68 PolarHBondContact O-N 3.14Å; W56-I69 HydrophobicContact CB-CB 4.21Å; W56-I69 HydrophobicContact CB-CG1 4.46Å; W56-I69 PolarHBondContact N-O 3.06Å; W56-I69 PolarHBondContact O-N 3.31Å; W56-A92 HydrophobicContact CZ2-CB 4.34Å; W56-L94 HydrophobicContact CB-CD1 4.27Å; W56-L94 HydrophobicContact CB-CD2 4.23Å; W56-L94 HydrophobicContact CD2-CB 3.52Å; W56-L94 HydrophobicContact CD2-CD2 4.03Å; W56-L94 HydrophobicContact CD2-CG 4.27Å; W56-L94 HydrophobicContact CE3-CB 3.86Å; W56-L94 HydrophobicContact CE3-CD2 3.84Å; W56-L94 HydrophobicContact CE3-CG 4.47Å; W56-L94 HydrophobicContact CG-CB 3.92Å; W56-L94 HydrophobicContact CG-CD1 4.2Å; W56-L94 HydrophobicContact CG-CD2 4.22Å; W56-L94 HydrophobicContact CG-CG 4.35Å; W56-L94 HydrophobicContact CH2-CB 4.13Å; W56-L94 HydrophobicContact CZ2-CB 3.83Å; W56-L94 HydrophobicContact CZ3-CB 4.15Å; W56-L94 HydrophobicContact CZ3-CD2 4.47Å; W56-F108 WeakPolarHBondContact CA-O 3.41Å; W56-C109 HydrophobicContact CD2-CB 4.47Å; W56-C109 HydrophobicContact CE3-CB 4.11Å; W56-C109 HydrophobicContact CH2-CB 4.05Å; W56-C109 HydrophobicContact CZ2-CB 4.38Å; W56-C109 HydrophobicContact CZ3-CB 3.9Å
57V96.5Very high92.4Very high37 Ų3765.3 Ų65.322%0.22437%0.367CS..EExtended strand (participates in β ladder)trans-127.8141.2-179.4-176.70000109F65 T66 Y107 F108V57-F65 HydrophobicContact CG1-CB 3.85Å; V57-F65 HydrophobicContact CG1-CD1 3.81Å; V57-F65 HydrophobicContact CG1-CG 4.3Å; V57-T66 CarbonylContact C-O 3.55Å; V57-T66 WeakPolarHBondContact CA-O 3.35Å; V57-T66 WeakPolarHBondContact CG1-O 3.5Å; V57-Y107 CarbonylContact O-C 3.59Å; V57-Y107 WeakPolarHBondContact O-CA 3.47Å; V57-F108 PolarHBondContact N-O 3.01Å; V57-F108 PolarHBondContact O-N 3.45Å
58Q96.5Very high92.6Very high11 Ų1163.2 Ų63.25%0.05135%0.349CS..EExtended strand (participates in β ladder)trans-107.4133.4174.6-167.8-179.839.600110K60 T66 L68 A105 I106 Y107Q58-K60 HydrophobicContact CG-CG 4.26Å; Q58-K60 VanDerWaalsContact NE2-CE 3.33Å; Q58-T66 PolarHBondContact N-O 3.13Å; Q58-T66 PolarHBondContact O-N 2.81Å; Q58-L68 HydrophobicContact CB-CD1 3.93Å; Q58-L68 HydrophobicContact CB-CD2 4.1Å; Q58-L68 HydrophobicContact CB-CG 3.98Å; Q58-A105 HydrophobicContact CG-CB 3.44Å; Q58-A105 VanDerWaalsContact CG-CB 3.44Å; Q58-I106 WeakPolarHBondContact CA-O 3.36Å; Q58-Y107 HydrophobicContact CB-CD1 4.42Å; Q58-Y107 HydrophobicContact CB-CE1 4.31Å; Q58-Y107 HydrophobicContact CG-CD1 4.33Å; Q58-Y107 HydrophobicContact CG-CE1 3.93Å; Q58-Y107 PolarHBondContact NE2-OH 2.85Å
59E95.1Very high92.7Very high64 Ų6463.3 Ų63.330%0.29935%0.349SS..EExtended strand (participates in β ladder)trans-117119.3169.2-175.5-178.1-175.100108.6F65 A105 I106 F108E59-F65 HydrophobicContact CB-CD1 3.95Å; E59-F65 HydrophobicContact CB-CE1 3.8Å; E59-F65 HydrophobicContact CG-CD1 4.29Å; E59-F65 HydrophobicContact CG-CE1 3.93Å; E59-F65 HydrophobicContact CG-CZ 4.28Å; E59-F65 WeakPolarHBondContact OE2-CE1 3.5Å; E59-A105 WeakPolarHBondContact O-CB 3.44Å; E59-I106 HydrophobicContact CB-CB 4.34Å; E59-I106 PolarHBondContact N-O 3.12Å; E59-I106 PolarHBondContact O-N 3.34Å; E59-F108 HydrophobicContact CB-CD2 4.47Å; E59-F108 HydrophobicContact CB-CE2 3.9Å; E59-F108 WeakPolarHBondContact OE2-CE2 3.47Å
60K93.1Very high92.8Very high48 Ų4862 Ų6221%0.20935%0.346CS..EExtended strand (participates in β ladder)trans-106.9150.7173.6-59.4-175.5-179.2-168.90108.8Q58 D62 H63 E102 A105Q58-K60 HydrophobicContact CG-CG 4.26Å; Q58-K60 VanDerWaalsContact NE2-CE 3.33Å; K60-D62 PolarHBondContact O-N 2.83Å; K60-H63 HydrophobicContact CB-CB 4.06Å; K60-H63 PolarHBondContact O-N 2.84Å; K60-H63 VanDerWaalsContact O-O 3.08Å; K60-E102 VanDerWaalsContact CE-O 3.26Å; K60-E102 WeakPolarHBondContact CE-O 3.47Å; K60-E102 PolarHBondContact NZ-O 2.9Å; K60-A105 HydrophobicContact CG-CB 3.91Å
61P86.4Confident92.9Very high123 Ų12357.9 Ų57.980%0.79933%0.325SS*.THydrogen-bonded Turntrans-49-37.6-177-29.735.3000114.9
62D83.7Confident92.9Very high155 Ų15555.1 Ų55.183%0.82931%0.306SS*.THydrogen-bonded Turntrans-106.5-0.1-176.2-55.8-49.6000114.5K60K60-D62 PolarHBondContact O-N 2.83Å
63H77.7Confident93.1Very high117 Ų11758.5 Ų58.554%0.54232%0.323SS..EExtended strand (participates in β ladder)trans-118147.8-175-61.863.4000111.5K60K60-H63 HydrophobicContact CB-CB 4.06Å; K60-H63 PolarHBondContact O-N 2.84Å; K60-H63 VanDerWaalsContact O-O 3.08Å
64L87.1Confident93.3Very high158 Ų15860.2 Ų60.283%0.82734%0.338SS*.EExtended strand (participates in β ladder)trans-62.4157167.1-59.7179.1000110.5T66L64-T66 PolarHBondContact O-N 2.91Å; L64-T66 PolarHBondContact O-OG1 3.16Å
65F92.4Very high93.4Very high131 Ų13165.9 Ų65.958%0.57536%0.359SS*.EExtended strand (participates in β ladder)trans-46.2122.5172.3-70.8-77.8000111.4V57 E59 F108V57-F65 HydrophobicContact CG1-CB 3.85Å; V57-F65 HydrophobicContact CG1-CD1 3.81Å; V57-F65 HydrophobicContact CG1-CG 4.3Å; E59-F65 HydrophobicContact CB-CD1 3.95Å; E59-F65 HydrophobicContact CB-CE1 3.8Å; E59-F65 HydrophobicContact CG-CD1 4.29Å; E59-F65 HydrophobicContact CG-CE1 3.93Å; E59-F65 HydrophobicContact CG-CZ 4.28Å; E59-F65 WeakPolarHBondContact OE2-CE1 3.5Å; F65-F108 HydrophobicContact CE1-CD2 4.14Å; F65-F108 AromaticContact CE1-CE2 3.9Å; F65-F108 HydrophobicContact CE1-CE2 3.9Å
66T94.7Very high93.4Very high59 Ų5965 Ų6536%0.36236%0.359SS..EExtended strand (participates in β ladder)trans-111.5119.9179.9-60.80000109.6V57 Q58 L64 L68V57-T66 CarbonylContact C-O 3.55Å; V57-T66 WeakPolarHBondContact CA-O 3.35Å; V57-T66 WeakPolarHBondContact CG1-O 3.5Å; Q58-T66 PolarHBondContact N-O 3.13Å; Q58-T66 PolarHBondContact O-N 2.81Å; L64-T66 PolarHBondContact O-N 2.91Å; L64-T66 PolarHBondContact O-OG1 3.16Å; T66-L68 PolarHBondContact O-N 3.14Å
67G96.6Very high93.4Very high40 Ų4071.3 Ų71.341%0.41240%0.4SS..EExtended strand (participates in β ladder)trans-67.8127.8172.200000110.8A76 V79G67-A76 WeakPolarHBondContact O-CB 3.39Å; G67-V79 WeakPolarHBondContact O-CG2 3.28Å
68L98Very high93.4Very high3 Ų373.6 Ų73.62%0.01643%0.431CS..EExtended strand (participates in β ladder)trans-99-59.8178.8-63.6179.9000111.6W56 Q58 T66 R75 A76 V79 F83 L94 Y107W56-L68 HydrophobicContact CB-CB 4.27Å; W56-L68 WeakPolarHBondContact O-CB 3.47Å; W56-L68 PolarHBondContact O-N 3.14Å; Q58-L68 HydrophobicContact CB-CD1 3.93Å; Q58-L68 HydrophobicContact CB-CD2 4.1Å; Q58-L68 HydrophobicContact CB-CG 3.98Å; T66-L68 PolarHBondContact O-N 3.14Å; L68-R75 WeakPolarHBondContact O-CA 3.4Å; L68-A76 PolarHBondContact O-N 2.84Å; L68-V79 HydrophobicContact CD2-CG1 3.92Å; L68-V79 HydrophobicContact CD2-CG2 4.23Å; L68-F83 HydrophobicContact CD1-CD1 4.02Å; L68-F83 HydrophobicContact CD1-CE1 4.15Å; L68-F83 HydrophobicContact CD2-CD1 4.42Å; L68-L94 HydrophobicContact CD1-CD1 4.43Å; L68-L94 HydrophobicContact CD1-CD2 3.84Å; L68-Y107 HydrophobicContact CD1-CD1 3.73Å; L68-Y107 HydrophobicContact CD1-CE1 3.62Å
69I98.2Very high93.4Very high4 Ų473.9 Ų73.92%0.02143%0.433CS..EExtended strand (participates in β ladder)trans-130.9130.9-176.1-51.2-63.7000108.4N55 W56 N74 R75 L94N55-I69 CarbonylContact C-O 3.57Å; N55-I69 WeakPolarHBondContact CA-O 3.39Å; W56-I69 HydrophobicContact CB-CB 4.21Å; W56-I69 HydrophobicContact CB-CG1 4.46Å; W56-I69 PolarHBondContact N-O 3.06Å; W56-I69 PolarHBondContact O-N 3.31Å; I69-N74 CarbonylContact C-O 3.52Å; I69-N74 WeakPolarHBondContact CA-O 3.39Å; I69-R75 HydrophobicContact CD1-CB 3.94Å; I69-R75 HydrophobicContact CD1-CG 4.19Å; I69-L94 HydrophobicContact CG1-CD1 3.72Å
70G96.2Very high93.5Very high23 Ų2373.2 Ų73.224%0.23743%0.434CS..EExtended strand (participates in β ladder)trans-110.7153.7167.900000112N55 T72 N74N55-G70 WeakPolarHBondContact OD1-CA 3.38Å; G70-T72 PolarHBondContact O-N 3.37Å; G70-N74 PolarHBondContact N-O 2.82Å; G70-N74 WeakPolarHBondContact O-CA 3.2Å; G70-N74 WeakPolarHBondContact O-CB 3.26Å; G70-N74 PolarHBondContact O-N 2.87Å
71G92.6Very high93.7Very high24 Ų2474.7 Ų74.725%0.24746%0.455CS..THydrogen-bonded Turntrans56.545.5170.400000114.1N55 N73N55-G71 PolarHBondContact OD1-N 3.13Å; N55-G71 VanDerWaalsContact OD1-N 3.14Å; G71-N73 VanDerWaalsContact C-N 3.26Å; G71-N73 PolarHBondContact O-N 3.47Å
72T90.8Very high94.3Very high11 Ų1171 Ų717%0.06743%0.425CS..THydrogen-bonded Turntrans75.2-47.9-178.5-58.40000115.8Y53 A54 G70 G85 S86 L87Y53-T72 WeakPolarHBondContact CB-OG1 3.49Å; A54-T72 PolarHBondContact O-N 3.08Å; A54-T72 VanDerWaalsContact O-N 3.08Å; G70-T72 PolarHBondContact O-N 3.37Å; T72-G85 CarbonylContact O-C 3.55Å; T72-G85 VanDerWaalsContact O-CA 3.25Å; T72-G85 WeakPolarHBondContact O-CA 3.21Å; T72-S86 PolarHBondContact O-N 3.25Å; T72-L87 HydrophobicContact CG2-CD1 4.14Å; T72-L87 HydrophobicContact CG2-CD2 3.79Å; T72-L87 HydrophobicContact CG2-CG 3.59Å
73N95.8Very high95Very high102 Ų10263.7 Ų63.755%0.54539%0.386SS..THydrogen-bonded Turntrans-142.11.2-172.667.5-11.2000115.5G71 R75 G85G71-N73 VanDerWaalsContact C-N 3.26Å; G71-N73 PolarHBondContact O-N 3.47Å; N73-R75 PolarHBondContact O-N 2.82Å; N73-G85 VanDerWaalsContact CB-O 3.24Å; N73-G85 WeakPolarHBondContact CB-O 3.32Å
74N97.3Very high96Very high105 Ų10560.5 Ų60.556%0.56138%0.377SS*.EExtended strand (participates in β ladder)trans-80.1103.3-180-59.4-35.5000110.2I69 G70 A76I69-N74 CarbonylContact C-O 3.52Å; I69-N74 WeakPolarHBondContact CA-O 3.39Å; G70-N74 PolarHBondContact N-O 2.82Å; G70-N74 WeakPolarHBondContact O-CA 3.2Å; G70-N74 WeakPolarHBondContact O-CB 3.26Å; G70-N74 PolarHBondContact O-N 2.87Å; N74-A76 PolarHBondContact O-N 2.94Å
75R97.8Very high96.5Very high119 Ų11953.4 Ų53.445%0.44934%0.342SS..EExtended strand (participates in β ladder)trans-68.1129.6176-176.1170.366.2-130.3-2.7111.2L68 I69 N73 V79 P80 A81 F83L68-R75 WeakPolarHBondContact O-CA 3.4Å; I69-R75 HydrophobicContact CD1-CB 3.94Å; I69-R75 HydrophobicContact CD1-CG 4.19Å; N73-R75 PolarHBondContact O-N 2.82Å; R75-V79 VanDerWaalsContact CD-O 3.31Å; R75-V79 WeakPolarHBondContact CD-O 3.44Å; R75-V79 HydrophobicContact CG-CB 3.63Å; R75-V79 HydrophobicContact CG-CG1 3.75Å; R75-V79 PolarHBondContact NE-O 2.88Å; R75-P80 WeakPolarHBondContact CD-O 3.34Å; R75-A81 PolarHBondContact NH1-O 2.88Å; R75-F83 WeakPolarHBondContact CD-O 3.18Å; R75-F83 PolarHBondContact NH1-O 3.17Å
76A97.8Very high96.7Very high30 Ų3049.2 Ų49.225%0.24833%0.329CS..PPolyproline II helixtrans-67.1153.5179.700000111.8G67 L68 N74 G78 V79G67-A76 WeakPolarHBondContact O-CB 3.39Å; L68-A76 PolarHBondContact O-N 2.84Å; N74-A76 PolarHBondContact O-N 2.94Å; A76-G78 PolarHBondContact O-N 2.87Å; A76-V79 HydrophobicContact CB-CG2 3.88Å; A76-V79 WeakPolarHBondContact O-CB 3.34Å; A76-V79 PolarHBondContact O-N 2.93Å
77P96.8Very high96.8Very high134 Ų13449.5 Ų49.587%0.8733%0.328SS*.THydrogen-bonded Turntrans-55.8137.2176.5-24.834.6000112.2V79P77-V79 PolarHBondContact O-N 2.02Å
78G95.9Very high96.8Very high85 Ų8551.6 Ų51.688%0.87633%0.329SS*.THydrogen-bonded Turntrans81-10.9-179.800000115.3A76A76-G78 PolarHBondContact O-N 2.87Å
79V96.9Very high96.7Very high17 Ų1755 Ų5510%0.10337%0.365CS..  trans-74.4130.1176.61780000109.9G67 L68 R75 A76 P77 F83G67-V79 WeakPolarHBondContact O-CG2 3.28Å; L68-V79 HydrophobicContact CD2-CG1 3.92Å; L68-V79 HydrophobicContact CD2-CG2 4.23Å; R75-V79 VanDerWaalsContact CD-O 3.31Å; R75-V79 WeakPolarHBondContact CD-O 3.44Å; R75-V79 HydrophobicContact CG-CB 3.63Å; R75-V79 HydrophobicContact CG-CG1 3.75Å; R75-V79 PolarHBondContact NE-O 2.88Å; A76-V79 HydrophobicContact CB-CG2 3.88Å; A76-V79 WeakPolarHBondContact O-CB 3.34Å; A76-V79 PolarHBondContact O-N 2.93Å; P77-V79 PolarHBondContact O-N 2.02Å; V79-F83 HydrophobicContact CG1-CB 3.78Å; V79-F83 HydrophobicContact CG1-CD2 3.9Å; V79-F83 HydrophobicContact CG1-CG 4Å
80P97.8Very high96.6Very high50 Ų5057.4 Ų57.433%0.32538%0.378SS..  trans-58.9150.9-177.6-28.236.4000114.5R75 R82 F83R75-P80 WeakPolarHBondContact CD-O 3.34Å; P80-R82 HydrophobicContact CB-CG 3.77Å; P80-R82 VanDerWaalsContact CB-NH1 3.29Å; P80-R82 PolarHBondContact O-N 2.88Å; P80-R82 VanDerWaalsContact O-N 3.09Å; P80-F83 HydrophobicContact CB-CD2 4.04Å; P80-F83 HydrophobicContact CB-CE2 4.27Å; P80-F83 HydrophobicContact CG-CD2 4.27Å; P80-F83 HydrophobicContact CG-CE2 4.16Å; P80-F83 PolarHBondContact O-N 2.85Å
81A97.8Very high96.6Very high78 Ų7859.4 Ų59.465%0.64538%0.38SS*.THydrogen-bonded Turntrans-61.9-22.3-177.400000114.6R75 F83R75-A81 PolarHBondContact NH1-O 2.88Å; A81-F83 PolarHBondContact O-N 2.9Å
82R97.9Very high96.8Very high45 Ų4558.3 Ų58.317%0.1737%0.368CS..THydrogen-bonded Turntrans-61.7-24.4174.654169.9-170.6-79.95.1114.3P80 I96 T97 D103P80-R82 HydrophobicContact CB-CG 3.77Å; P80-R82 VanDerWaalsContact CB-NH1 3.29Å; P80-R82 PolarHBondContact O-N 2.88Å; P80-R82 VanDerWaalsContact O-N 3.09Å; R82-I96 WeakPolarHBondContact O-CA 3.2Å; R82-T97 WeakPolarHBondContact CA-OG1 3.15Å; R82-T97 WeakPolarHBondContact CB-O 2.95Å; R82-T97 PolarHBondContact O-N 2.97Å; R82-T97 PolarHBondContact O-OG1 3.23Å; R82-D103 IonicContact CZ-OD1 3.75Å; R82-D103 VanDerWaalsContact CZ-OD1 3.3Å; R82-D103 IonicContact CZ-OD2 3.8Å; R82-D103 IonicContact NE-OD1 2.96Å; R82-D103 PolarHBondContact NE-OD1 3.41Å; R82-D103 VanDerWaalsContact NE-OD1 3.08Å; R82-D103 IonicContact NE-OD2 3.3Å; R82-D103 PolarHBondContact NE-OD2 3.44Å; R82-D103 IonicContact NH2-OD1 2.7Å; R82-D103 PolarHBondContact NH2-OD1 2.97Å; R82-D103 IonicContact NH2-OD2 3.08Å
83F98.4Very high97.2Very high3 Ų357.8 Ų57.81%0.01337%0.365CS..EExtended strand (participates in β ladder)trans-87.4130.7175.4-64.4-90.5000109.9L68 R75 V79 P80 A81 L94 T95 I96 D103 Y107L68-F83 HydrophobicContact CD1-CD1 4.02Å; L68-F83 HydrophobicContact CD1-CE1 4.15Å; L68-F83 HydrophobicContact CD2-CD1 4.42Å; R75-F83 WeakPolarHBondContact CD-O 3.18Å; R75-F83 PolarHBondContact NH1-O 3.17Å; V79-F83 HydrophobicContact CG1-CB 3.78Å; V79-F83 HydrophobicContact CG1-CD2 3.9Å; V79-F83 HydrophobicContact CG1-CG 4Å; P80-F83 HydrophobicContact CB-CD2 4.04Å; P80-F83 HydrophobicContact CB-CE2 4.27Å; P80-F83 HydrophobicContact CG-CD2 4.27Å; P80-F83 HydrophobicContact CG-CE2 4.16Å; P80-F83 PolarHBondContact O-N 2.85Å; A81-F83 PolarHBondContact O-N 2.9Å; F83-L94 HydrophobicContact CD1-CD1 4.42Å; F83-T95 WeakPolarHBondContact CA-O 2.91Å; F83-I96 HydrophobicContact CD1-CD1 4.15Å; F83-I96 HydrophobicContact CD1-CG1 3.73Å; F83-I96 HydrophobicContact CD1-CG2 4.29Å; F83-I96 HydrophobicContact CE1-CB 4.43Å; F83-I96 HydrophobicContact CE1-CD1 3.62Å; F83-I96 HydrophobicContact CE1-CG1 3.69Å; F83-I96 HydrophobicContact CE1-CG2 3.95Å; F83-I96 HydrophobicContact CZ-CG2 4.17Å; F83-D103 VanDerWaalsContact CZ-OD1 3.28Å; F83-D103 WeakPolarHBondContact CZ-OD1 3.17Å; F83-Y107 HydrophobicContact CE1-CE1 4.04Å
84S98.3Very high97.3Very high49 Ų4952.9 Ų52.934%0.34334%0.339SS..EExtended strand (participates in β ladder)trans-145.2144.8173.657.90000110.8L94 T95S84-L94 WeakPolarHBondContact O-CA 3.3Å; S84-T95 PolarHBondContact N-O 3.37Å; S84-T95 PolarHBondContact O-N 2.79Å
85G98Very high97.3Very high9 Ų949 Ų499%0.09332%0.319CS..EExtended strand (participates in β ladder)trans-107146.1171.900000111.4T72 N73 A93T72-G85 CarbonylContact O-C 3.55Å; T72-G85 VanDerWaalsContact O-CA 3.25Å; T72-G85 WeakPolarHBondContact O-CA 3.21Å; N73-G85 VanDerWaalsContact CB-O 3.24Å; N73-G85 WeakPolarHBondContact CB-O 3.32Å; G85-A93 VanDerWaalsContact CA-O 3.26Å; G85-A93 WeakPolarHBondContact CA-O 3.43Å
86S97.6Very high97.4Very high44 Ų4443.5 Ų43.531%0.30830%0.299SS..EExtended strand (participates in β ladder)trans-153.6178.5-179.663.10000111.1T72 A93T72-S86 PolarHBondContact O-N 3.25Å; S86-A93 PolarHBondContact N-O 2.69Å; S86-A93 PolarHBondContact O-N 2.98Å
87L97.4Very high97.4Very high64 Ų6445.2 Ų45.234%0.33531%0.306SS..EExtended strand (participates in β ladder)trans-111.2133.8170.4-62.8173.6000109.3V48 T72 K91V48-L87 HydrophobicContact CB-CD2 4.37Å; V48-L87 HydrophobicContact CG1-CD2 3.89Å; T72-L87 HydrophobicContact CG2-CD1 4.14Å; T72-L87 HydrophobicContact CG2-CD2 3.79Å; T72-L87 HydrophobicContact CG2-CG 3.59Å; L87-K91 WeakPolarHBondContact CA-O 3.5Å
88I96.2Very high97.4Very high84 Ų8440.2 Ų40.243%0.43128%0.279SS..EExtended strand (participates in β ladder)trans-117.398170.3-58.9176.4000107.2T38 T40 D90 K91 A93T38-I88 HydrophobicContact CG2-CD1 3.94Å; T40-I88 HydrophobicContact CG2-CD1 4.37Å; I88-D90 PolarHBondContact O-N 3Å; I88-D90 VanDerWaalsContact O-N 3.13Å; I88-K91 PolarHBondContact N-O 2.9Å; I88-K91 PolarHBondContact O-N 3.47Å; I88-K91 VanDerWaalsContact O-N 3.16Å; I88-A93 HydrophobicContact CD1-CB 3.65Å; I88-A93 HydrophobicContact CG1-CB 3.81Å
89G95.3Very high97.5Very high75 Ų7536.6 Ų36.677%0.77324%0.241SC*.THydrogen-bonded Turntrans61.1-114.2-173.100000111.2
90D95.3Very high97.5Very high55 Ų5539.6 Ų39.629%0.29425%0.254SS..THydrogen-bonded Turntrans-95.18.2-178.169.6-28.8000114.2R42 A47 V48 I88R42-D90 IonicContact NH1-OD2 3.72Å; A47-D90 HydrophobicContact CB-CB 3.92Å; V48-D90 WeakPolarHBondContact CB-O 3.46Å; V48-D90 PolarHBondContact N-O 3.01Å; I88-D90 PolarHBondContact O-N 3Å; I88-D90 VanDerWaalsContact O-N 3.13Å
91K97.3Very high97.4Very high64 Ų6442.2 Ų42.228%0.27827%0.269SS..EExtended strand (participates in β ladder)trans-118.9146.7-172.5-39.7-173.8-138.6-55.50111.2C41 R42 L87 I88C41-K91 CarbonylContact O-C 3.17Å; C41-K91 WeakPolarHBondContact O-CA 3.47Å; C41-K91 WeakPolarHBondContact O-CB 3.42Å; R42-K91 HydrophobicContact CB-CD 4.49Å; R42-K91 HydrophobicContact CB-CG 4.14Å; L87-K91 WeakPolarHBondContact CA-O 3.5Å; I88-K91 PolarHBondContact N-O 2.9Å; I88-K91 PolarHBondContact O-N 3.47Å; I88-K91 VanDerWaalsContact O-N 3.16Å
92A97.2Very high97.2Very high1 Ų143 Ų431%0.00826%0.26CS..EExtended strand (participates in β ladder)trans-74.7145.1160.100000110.3T40 C41 V48 A54 W56T40-A92 CarbonylContact C-O 3.53Å; T40-A92 VanDerWaalsContact CA-O 3.26Å; T40-A92 WeakPolarHBondContact CA-O 3.16Å; C41-A92 HydrophobicContact CB-CB 4.41Å; C41-A92 PolarHBondContact N-O 3.41Å; C41-A92 PolarHBondContact O-N 3.47Å; V48-A92 HydrophobicContact CG1-CB 3.83Å; A54-A92 HydrophobicContact CB-CB 3.23Å; W56-A92 HydrophobicContact CZ2-CB 4.34Å
93A97.9Very high97.1Very high0 Ų041.4 Ų41.40%025%0.254CS..EExtended strand (participates in β ladder)trans-126.5141.6174.700000110.5T38 L39 T40 G85 S86 I88T38-A93 HydrophobicContact CG2-CB 3.91Å; L39-A93 CarbonylContact O-C 3.52Å; L39-A93 WeakPolarHBondContact O-CA 3.31Å; T40-A93 HydrophobicContact CG2-CB 4.39Å; G85-A93 VanDerWaalsContact CA-O 3.26Å; G85-A93 WeakPolarHBondContact CA-O 3.43Å; S86-A93 PolarHBondContact N-O 2.69Å; S86-A93 PolarHBondContact O-N 2.98Å; I88-A93 HydrophobicContact CD1-CB 3.65Å; I88-A93 HydrophobicContact CG1-CB 3.81Å
94L98.3Very high96.9Very high0 Ų049 Ų490%029%0.289CS..EExtended strand (participates in β ladder)trans-114.5115.1165.317569.5000107.4T38 L39 W56 L68 I69 F83 S84 I96 Y107T38-L94 CarbonylContact C-O 3.09Å; T38-L94 WeakPolarHBondContact CA-O 3.47Å; L39-L94 HydrophobicContact CB-CB 4.4Å; L39-L94 HydrophobicContact CD1-CD2 4.33Å; L39-L94 PolarHBondContact N-O 3.31Å; L39-L94 PolarHBondContact O-N 2.9Å; W56-L94 HydrophobicContact CB-CD1 4.27Å; W56-L94 HydrophobicContact CB-CD2 4.23Å; W56-L94 HydrophobicContact CD2-CB 3.52Å; W56-L94 HydrophobicContact CD2-CD2 4.03Å; W56-L94 HydrophobicContact CD2-CG 4.27Å; W56-L94 HydrophobicContact CE3-CB 3.86Å; W56-L94 HydrophobicContact CE3-CD2 3.84Å; W56-L94 HydrophobicContact CE3-CG 4.47Å; W56-L94 HydrophobicContact CG-CB 3.92Å; W56-L94 HydrophobicContact CG-CD1 4.2Å; W56-L94 HydrophobicContact CG-CD2 4.22Å; W56-L94 HydrophobicContact CG-CG 4.35Å; W56-L94 HydrophobicContact CH2-CB 4.13Å; W56-L94 HydrophobicContact CZ2-CB 3.83Å; W56-L94 HydrophobicContact CZ3-CB 4.15Å; W56-L94 HydrophobicContact CZ3-CD2 4.47Å; L68-L94 HydrophobicContact CD1-CD1 4.43Å; L68-L94 HydrophobicContact CD1-CD2 3.84Å; I69-L94 HydrophobicContact CG1-CD1 3.72Å; F83-L94 HydrophobicContact CD1-CD1 4.42Å; S84-L94 WeakPolarHBondContact O-CA 3.3Å; L94-I96 HydrophobicContact CG-CG1 4.46Å; L94-Y107 HydrophobicContact CD2-CD1 3.6Å; L94-Y107 HydrophobicContact CD2-CE1 4.04Å; L94-Y107 HydrophobicContact CD2-CG 4.44Å
95T98.2Very high96.7Very high23 Ų2348 Ų4814%0.14128%0.284CS..EExtended strand (participates in β ladder)trans-102.3130.4177.3-52.30000109.5T36 V37 F83 S84 T97T36-T95 HydrophobicContact CG2-CG2 3.65Å; V37-T95 WeakPolarHBondContact O-CA 3.44Å; F83-T95 WeakPolarHBondContact CA-O 2.91Å; S84-T95 PolarHBondContact N-O 3.37Å; S84-T95 PolarHBondContact O-N 2.79Å; T95-T97 HydrophobicContact CG2-CG2 4.09Å
96I98.2Very high96.6Very high4 Ų452.2 Ų52.22%0.02130%0.304CS..EExtended strand (participates in β ladder)trans-118.2109174.8-46.8174.4000106.8T36 V37 L39 R82 F83 L94 Y107T36-I96 VanDerWaalsContact CA-O 3.31Å; T36-I96 WeakPolarHBondContact CA-O 3.29Å; V37-I96 HydrophobicContact CG1-CB 3.82Å; V37-I96 HydrophobicContact CG1-CD1 4.11Å; V37-I96 HydrophobicContact CG1-CG1 4.23Å; V37-I96 PolarHBondContact N-O 3.04Å; V37-I96 PolarHBondContact O-N 3.24Å; L39-I96 HydrophobicContact CD1-CD1 4.04Å; L39-I96 HydrophobicContact CD1-CG1 4.48Å; R82-I96 WeakPolarHBondContact O-CA 3.2Å; F83-I96 HydrophobicContact CD1-CD1 4.15Å; F83-I96 HydrophobicContact CD1-CG1 3.73Å; F83-I96 HydrophobicContact CD1-CG2 4.29Å; F83-I96 HydrophobicContact CE1-CB 4.43Å; F83-I96 HydrophobicContact CE1-CD1 3.62Å; F83-I96 HydrophobicContact CE1-CG1 3.69Å; F83-I96 HydrophobicContact CE1-CG2 3.95Å; F83-I96 HydrophobicContact CZ-CG2 4.17Å; L94-I96 HydrophobicContact CG-CG1 4.46Å; I96-Y107 HydrophobicContact CD1-CE1 3.94Å; I96-Y107 HydrophobicContact CD1-CE2 4.43Å
97T98.2Very high96.6Very high65 Ų6551.1 Ų51.140%0.39929%0.293SS..EExtended strand (participates in β ladder)trans-95.6133.5179.560.50000111.1T36 R82 T95T36-T97 HydrophobicContact CG2-CG2 3.94Å; R82-T97 WeakPolarHBondContact CA-OG1 3.15Å; R82-T97 WeakPolarHBondContact CB-O 2.95Å; R82-T97 PolarHBondContact O-N 2.97Å; R82-T97 PolarHBondContact O-OG1 3.23Å; T95-T97 HydrophobicContact CG2-CG2 4.09Å
98G98Very high96.5Very high30 Ų3052.1 Ų52.131%0.30930%0.295SS..SBendtrans6951-178.900000110.9E35 Q100E35-G98 WeakPolarHBondContact O-CA 3.35Å; E35-G98 PolarHBondContact O-N 3.21Å; G98-Q100 VanDerWaalsContact O-CG 3.28Å; G98-Q100 WeakPolarHBondContact O-CG 3.48Å; G98-Q100 PolarHBondContact O-N 3.37Å
99A98Very high96.5Very high8 Ų848.7 Ų48.77%0.06628%0.278CS..  trans-50.2136.6-177.500000111.4T31 P33 G34 E35T31-A99 HydrophobicContact CG2-CB 3.76Å; P33-A99 CarbonylContact C-O 3.5Å; P33-A99 VanDerWaalsContact CA-O 3.28Å; P33-A99 WeakPolarHBondContact CA-O 3.28Å; G34-A99 PolarHBondContact N-O 3.25Å; E35-A99 PolarHBondContact O-N 3.21Å
100Q97.2Very high96.5Very high80 Ų8047.6 Ų47.637%0.37426%0.262SS..  trans-119.9161.5-178.6-47.8-172.5-73.100110.6G98 E102 D103G98-Q100 VanDerWaalsContact O-CG 3.28Å; G98-Q100 WeakPolarHBondContact O-CG 3.48Å; G98-Q100 PolarHBondContact O-N 3.37Å; Q100-E102 HydrophobicContact CB-CG 4.13Å; Q100-E102 WeakPolarHBondContact CB-OE2 3.39Å; Q100-E102 VanDerWaalsContact CD-OE1 3.3Å; Q100-E102 PolarHBondContact O-N 3.03Å; Q100-E102 PolarHBondContact OE1-OE1 2.94Å; Q100-D103 PolarHBondContact N-OD2 2.93Å; Q100-D103 VanDerWaalsContact O-CB 3.29Å; Q100-D103 WeakPolarHBondContact O-CB 3.23Å; Q100-D103 PolarHBondContact O-N 3.15Å
101T94.5Very high96.5Very high106 Ų10646.2 Ų46.265%0.6525%0.254SS*.G310 helixtrans-59.9-34.2179.2-55.60000111.7D103 E104T101-D103 PolarHBondContact O-N 3.39Å; T101-E104 WeakPolarHBondContact O-CB 3.37Å; T101-E104 PolarHBondContact O-N 3.47Å
102E93.7Very high96.2Very high95 Ų9550.5 Ų50.544%0.44427%0.269SS..G310 helixtrans-69.5-9.2175.366.4-96.9-139.900114.6K60 Q100 E104K60-E102 VanDerWaalsContact CE-O 3.26Å; K60-E102 WeakPolarHBondContact CE-O 3.47Å; K60-E102 PolarHBondContact NZ-O 2.9Å; Q100-E102 HydrophobicContact CB-CG 4.13Å; Q100-E102 WeakPolarHBondContact CB-OE2 3.39Å; Q100-E102 VanDerWaalsContact CD-OE1 3.3Å; Q100-E102 PolarHBondContact O-N 3.03Å; Q100-E102 PolarHBondContact OE1-OE1 2.94Å; E102-E104 VanDerWaalsContact C-N 3.3Å
103D95.2Very high95.8Very high11 Ų1152.4 Ų52.46%0.05928%0.276CS..G310 helixtrans-84.7-6.2176.2-60.7-32.4000111.9R82 F83 Q100 T101 A105 Y107R82-D103 IonicContact CZ-OD1 3.75Å; R82-D103 VanDerWaalsContact CZ-OD1 3.3Å; R82-D103 IonicContact CZ-OD2 3.8Å; R82-D103 IonicContact NE-OD1 2.96Å; R82-D103 PolarHBondContact NE-OD1 3.41Å; R82-D103 VanDerWaalsContact NE-OD1 3.08Å; R82-D103 IonicContact NE-OD2 3.3Å; R82-D103 PolarHBondContact NE-OD2 3.44Å; R82-D103 IonicContact NH2-OD1 2.7Å; R82-D103 PolarHBondContact NH2-OD1 2.97Å; R82-D103 IonicContact NH2-OD2 3.08Å; F83-D103 VanDerWaalsContact CZ-OD1 3.28Å; F83-D103 WeakPolarHBondContact CZ-OD1 3.17Å; Q100-D103 PolarHBondContact N-OD2 2.93Å; Q100-D103 VanDerWaalsContact O-CB 3.29Å; Q100-D103 WeakPolarHBondContact O-CB 3.23Å; Q100-D103 PolarHBondContact O-N 3.15Å; T101-D103 PolarHBondContact O-N 3.39Å; D103-A105 PolarHBondContact O-N 2.93Å; D103-A105 VanDerWaalsContact O-N 3.12Å; D103-Y107 WeakPolarHBondContact O-CE2 3.12Å; D103-Y107 PolarHBondContact O-OH 3.44Å
104E94.6Very high94.7Very high161 Ų16154.7 Ų54.775%0.75229%0.292SS*.  trans-64.3111.1171.2-170.9175.4172.100110T101 E102T101-E104 WeakPolarHBondContact O-CB 3.37Å; T101-E104 PolarHBondContact O-N 3.47Å; E102-E104 VanDerWaalsContact C-N 3.3Å
105A95.2Very high93.3Very high28 Ų2861 Ų6123%0.23133%0.326CS..SBendtrans-165.1169.8-171.800000110.8Q58 E59 K60 D103 Y107Q58-A105 HydrophobicContact CG-CB 3.44Å; Q58-A105 VanDerWaalsContact CG-CB 3.44Å; E59-A105 WeakPolarHBondContact O-CB 3.44Å; K60-A105 HydrophobicContact CG-CB 3.91Å; D103-A105 PolarHBondContact O-N 2.93Å; D103-A105 VanDerWaalsContact O-N 3.12Å; A105-Y107 HydrophobicContact CB-CD2 4.43Å; A105-Y107 HydrophobicContact CB-CE2 3.86Å; A105-Y107 WeakPolarHBondContact O-CD2 3.38Å
106I95.7Very high91.1Very high98 Ų9866.7 Ų66.750%0.50335%0.35SS..EExtended strand (participates in β ladder)trans-88.4133165.6-54.5175.8000108.1Q58 E59 F108Q58-I106 WeakPolarHBondContact CA-O 3.36Å; E59-I106 HydrophobicContact CB-CB 4.34Å; E59-I106 PolarHBondContact N-O 3.12Å; E59-I106 PolarHBondContact O-N 3.34Å; I106-F108 HydrophobicContact CB-CE2 4.12Å; I106-F108 HydrophobicContact CB-CZ 4.42Å; I106-F108 HydrophobicContact CG2-CD2 4.18Å; I106-F108 HydrophobicContact CG2-CE1 4.07Å; I106-F108 HydrophobicContact CG2-CE2 3.44Å; I106-F108 VanDerWaalsContact CG2-CE2 3.44Å; I106-F108 HydrophobicContact CG2-CZ 3.4Å
107Y96.7Very high88.5Confident21 Ų2179.3 Ų79.38%0.08241%0.406CS..EExtended strand (participates in β ladder)trans-116.2127.2179.7-66.6-94.4000110.3Q25 L39 V57 Q58 L68 F83 L94 I96 D103 A105Q25-Y107 PolarHBondContact NE2-O 3.37Å; L39-Y107 HydrophobicContact CD2-CD2 4.14Å; L39-Y107 HydrophobicContact CD2-CG 4.01Å; V57-Y107 CarbonylContact O-C 3.59Å; V57-Y107 WeakPolarHBondContact O-CA 3.47Å; Q58-Y107 HydrophobicContact CB-CD1 4.42Å; Q58-Y107 HydrophobicContact CB-CE1 4.31Å; Q58-Y107 HydrophobicContact CG-CD1 4.33Å; Q58-Y107 HydrophobicContact CG-CE1 3.93Å; Q58-Y107 PolarHBondContact NE2-OH 2.85Å; L68-Y107 HydrophobicContact CD1-CD1 3.73Å; L68-Y107 HydrophobicContact CD1-CE1 3.62Å; F83-Y107 HydrophobicContact CE1-CE1 4.04Å; L94-Y107 HydrophobicContact CD2-CD1 3.6Å; L94-Y107 HydrophobicContact CD2-CE1 4.04Å; L94-Y107 HydrophobicContact CD2-CG 4.44Å; I96-Y107 HydrophobicContact CD1-CE1 3.94Å; I96-Y107 HydrophobicContact CD1-CE2 4.43Å; D103-Y107 WeakPolarHBondContact O-CE2 3.12Å; D103-Y107 PolarHBondContact O-OH 3.44Å; A105-Y107 HydrophobicContact CB-CD2 4.43Å; A105-Y107 HydrophobicContact CB-CE2 3.86Å; A105-Y107 WeakPolarHBondContact O-CD2 3.38Å
108F96Very high88Confident85 Ų8580 Ų8037%0.37341%0.406SS..EExtended strand (participates in β ladder)trans-112.3134.6178.7-62.6-82.1000111.3W56 V57 E59 F65 I106W56-F108 WeakPolarHBondContact CA-O 3.41Å; V57-F108 PolarHBondContact N-O 3.01Å; V57-F108 PolarHBondContact O-N 3.45Å; E59-F108 HydrophobicContact CB-CD2 4.47Å; E59-F108 HydrophobicContact CB-CE2 3.9Å; E59-F108 WeakPolarHBondContact OE2-CE2 3.47Å; F65-F108 HydrophobicContact CE1-CD2 4.14Å; F65-F108 AromaticContact CE1-CE2 3.9Å; F65-F108 HydrophobicContact CE1-CE2 3.9Å; I106-F108 HydrophobicContact CB-CE2 4.12Å; I106-F108 HydrophobicContact CB-CZ 4.42Å; I106-F108 HydrophobicContact CG2-CD2 4.18Å; I106-F108 HydrophobicContact CG2-CE1 4.07Å; I106-F108 HydrophobicContact CG2-CE2 3.44Å; I106-F108 VanDerWaalsContact CG2-CE2 3.44Å; I106-F108 HydrophobicContact CG2-CZ 3.4Å
109C96.3Very high87.4Confident13 Ų1382.6 Ų82.69%0.08841%0.411CS..EExtended strand (participates in β ladder)trans-99.6125.5167.1175.80000110.9V23 Q25 C41 N55 W56V23-C109 HydrophobicContact CG1-CB 4.42Å; Q25-C109 VanDerWaalsContact OE1-N 3.13Å; C41-C109 HydrophobicContact CB-CB 3.39Å; C41-C109 WeakPolarHBondContact CB-SG 3.05Å; C41-C109 WeakPolarHBondContact SG-CB 3.4Å; C41-C109 CovalentContact SG-SG 2.02Å; C41-C109 PolarHBondContact SG-SG 2.88Å; N55-C109 WeakPolarHBondContact O-CA 3.36Å; W56-C109 HydrophobicContact CD2-CB 4.47Å; W56-C109 HydrophobicContact CE3-CB 4.11Å; W56-C109 HydrophobicContact CH2-CB 4.05Å; W56-C109 HydrophobicContact CZ2-CB 4.38Å; W56-C109 HydrophobicContact CZ3-CB 3.9Å
110A94.8Very high86.9Confident52 Ų5286.8 Ų86.843%0.4343%0.43SS..EExtended strand (participates in β ladder)trans-115117.8172.800000110.2A54 N55A54-A110 CarbonylContact C-O 3.49Å; A54-A110 WeakPolarHBondContact CA-O 3.18Å; N55-A110 PolarHBondContact N-O 2.82Å; N55-A110 PolarHBondContact O-N 3.06Å
111L94.5Very high86.3Confident25 Ų2587.2 Ų87.213%0.13143%0.434CS..EExtended strand (participates in β ladder)trans-90.6132.7178.8-62.8-176.3000111.2V23 V48 Y53 A54 Y113V23-L111 HydrophobicContact CG1-CD1 4.31Å; V23-L111 HydrophobicContact CG1-CG 4.34Å; V23-L111 HydrophobicContact CG2-CB 4.33Å; V23-L111 HydrophobicContact CG2-CD1 3.99Å; V23-L111 HydrophobicContact CG2-CG 4.04Å; V48-L111 HydrophobicContact CG1-CD2 4.03Å; V48-L111 HydrophobicContact CG2-CD1 4Å; V48-L111 HydrophobicContact CG2-CD2 3.9Å; Y53-L111 WeakPolarHBondContact O-CA 3.43Å; A54-L111 HydrophobicContact CB-CD2 3.58Å; L111-Y113 HydrophobicContact CB-CE2 4.11Å; L111-Y113 WeakPolarHBondContact CD1-OH 3.23Å
112W92.5Very high85.7Confident155 Ų15586 Ų8659%0.58742%0.42SS*.EExtended strand (participates in β ladder)trans-108.8123.5170.9-174.9-89.3000109.4N52 Y53N52-W112 CarbonylContact C-O 3.57Å; N52-W112 VanDerWaalsContact CA-O 3.23Å; N52-W112 WeakPolarHBondContact CA-O 3.47Å; Y53-W112 HydrophobicContact CD2-CB 4.08Å; Y53-W112 HydrophobicContact CE1-CB 4.42Å; Y53-W112 AromaticContact CE1-CD1 3.78Å; Y53-W112 HydrophobicContact CE1-CG 4.36Å; Y53-W112 HydrophobicContact CE2-CB 3.66Å; Y53-W112 HydrophobicContact CE2-CG 4.09Å; Y53-W112 AromaticContact CZ-CD1 3.56Å; Y53-W112 AromaticContact CZ-CG 3.8Å; Y53-W112 PolarHBondContact N-O 2.81Å; Y53-W112 VanDerWaalsContact N-O 3.13Å; Y53-W112 PolarHBondContact O-N 3.21Å
113Y87.4Confident85.2Confident41 Ų4185.4 Ų85.416%0.16142%0.418CS..EExtended strand (participates in β ladder)trans-103.7125.9177.6-52.5-85.3000109.5A21 S43 N52 L111 N115A21-Y113 HydrophobicContact CB-CE2 4.46Å; S43-Y113 WeakPolarHBondContact CB-OH 3.41Å; S43-Y113 WeakPolarHBondContact OG-CE1 3.05Å; S43-Y113 PolarHBondContact OG-OH 3.37Å; N52-Y113 HydrophobicContact CB-CD1 4.15Å; N52-Y113 WeakPolarHBondContact OD1-CA 3.48Å; L111-Y113 HydrophobicContact CB-CE2 4.11Å; L111-Y113 WeakPolarHBondContact CD1-OH 3.23Å; Y113-N115 VanDerWaalsContact C-N 3.3Å; Y113-N115 PolarHBondContact O-N 3.31Å
114S76.6Confident84.5Confident48 Ų4890.7 Ų90.734%0.33644%0.444SS..THydrogen-bonded Turntrans-72.9-22.3179.537.90000113.4S51 N52S51-S114 WeakPolarHBondContact O-CB 3.26Å; S51-S114 PolarHBondContact O-OG 3.29Å; N52-S114 PolarHBondContact OD1-N 3.37Å; N52-S114 PolarHBondContact OD1-OG 3.47Å
115N67.4Low83.7Confident133 Ų13385.3 Ų85.371%0.71142%0.42SS*.THydrogen-bonded Turntrans-101.539.2-172.9-61.7-21.5000114.1Y113Y113-N115 VanDerWaalsContact C-N 3.3Å; Y113-N115 PolarHBondContact O-N 3.31Å
116H53.4Low82.8Confident141 Ų14190.1 Ų90.165%0.65344%0.436SS*.  trans-97.674.7166.7-90.5-67.9000110.6
117F42.1Very low81.6Confident269 Ų26989.4 Ų89.4100%1.1843%0.43SS*.  trans-134.60155.4-62.7-75.1000107.8

Retrieved 117 of 117 residues in 78.7 ms (Link to these results)