A0A075B664_MOUSE Loading...

Immunoglobulin lambda variable 2

AlphaFold DB , UniProt , Accession A0A075B664, Species MOUSE (Mus musculus, Mouse), Gene Iglv2, Length 116 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
1M59.7Low60.3Low209 Ų209119.4 Ų119.4100%1.0364%0.642SS**  0-29.80-67.417768.400113.7T4M1-T4 PolarHBondContact O-OG1 3.38Å
2A60.7Low60.3Low77 Ų77116.6 Ų116.664%0.63665%0.648SS**Hα-helixtrans-73.8-28.5174.600000114.2S5 L6A2-S5 PolarHBondContact O-N 3.47Å; A2-L6 PolarHBondContact O-N 3.03Å
3W54Low60.4Low207 Ų207118 Ų11878%0.78465%0.652SS**Hα-helixtrans-69.5-36.1-179.9-83.522.1000113.9S5 L6 I7W3-S5 VanDerWaalsContact C-N 3.31Å; W3-S5 PolarHBondContact O-N 3.46Å; W3-L6 PolarHBondContact O-N 3.29Å; W3-I7 WeakPolarHBondContact O-CB 3.35Å; W3-I7 WeakPolarHBondContact O-CD1 3.33Å; W3-I7 WeakPolarHBondContact O-CG1 3.26Å; W3-I7 PolarHBondContact O-N 3.06Å
4T60.5Low60.5Low92 Ų92117.3 Ų117.356%0.56466%0.658SS**Hα-helixtrans-65.2-37.8175.545.20000111.3M1 I7 L8M1-T4 PolarHBondContact O-OG1 3.38Å; T4-I7 PolarHBondContact O-N 2.71Å; T4-L8 PolarHBondContact O-N 2.74Å
5S61.3Low60.8Low72 Ų72116.9 Ų116.950%0.50367%0.666SS.*Hα-helixtrans-68-38.8174.7-51.60000112A2 W3 S9A2-S5 PolarHBondContact O-N 3.47Å; W3-S5 VanDerWaalsContact C-N 3.31Å; W3-S5 PolarHBondContact O-N 3.46Å; S5-S9 WeakPolarHBondContact O-CB 3.47Å; S5-S9 PolarHBondContact O-N 3.4Å; S5-S9 PolarHBondContact O-OG 3.45Å
6L60.8Low61.1Low118 Ų118115.9 Ų115.962%0.61868%0.676SS**Hα-helixtrans-66-41.5175.8-158.979.1000111.8A2 W3 S9 L10A2-L6 PolarHBondContact O-N 3.03Å; W3-L6 PolarHBondContact O-N 3.29Å; L6-S9 PolarHBondContact O-N 3.35Å; L6-L10 WeakPolarHBondContact O-CB 3.35Å; L6-L10 PolarHBondContact O-N 2.97Å
7I64.1Low61.4Low97 Ų97116.2 Ų116.250%0.49769%0.687SS.*Hα-helixtrans-66.4-43.2177.7-67.9162000111.2W3 T4 S9 L10 L11W3-I7 WeakPolarHBondContact O-CB 3.35Å; W3-I7 WeakPolarHBondContact O-CD1 3.33Å; W3-I7 WeakPolarHBondContact O-CG1 3.26Å; W3-I7 PolarHBondContact O-N 3.06Å; T4-I7 PolarHBondContact O-N 2.71Å; I7-S9 VanDerWaalsContact C-N 3.32Å; I7-S9 PolarHBondContact O-N 3.26Å; I7-L10 PolarHBondContact O-N 2.96Å; I7-L11 HydrophobicContact CG2-CD1 3.85Å; I7-L11 WeakPolarHBondContact O-CD1 3.47Å; I7-L11 WeakPolarHBondContact O-CG 3.38Å; I7-L11 PolarHBondContact O-N 3.47Å
8L60.4Low61.9Low127 Ų127116.1 Ų116.167%0.66569%0.693SS**Hα-helixtrans-62.5-38.6174.1-116.977.6000112.2T4 L11 A12T4-L8 PolarHBondContact O-N 2.74Å; L8-L11 PolarHBondContact O-N 2.84Å; L8-A12 PolarHBondContact O-N 3.35Å; L8-A12 VanDerWaalsContact O-N 3.14Å
9S61.7Low62.9Low69 Ų69118.9 Ų118.948%0.48370%0.698SS.*Hα-helixtrans-65.7-40.4176-51.20000111.6S5 L6 I7 A12 L13S5-S9 WeakPolarHBondContact O-CB 3.47Å; S5-S9 PolarHBondContact O-N 3.4Å; S5-S9 PolarHBondContact O-OG 3.45Å; L6-S9 PolarHBondContact O-N 3.35Å; I7-S9 VanDerWaalsContact C-N 3.32Å; I7-S9 PolarHBondContact O-N 3.26Å; S9-A12 PolarHBondContact O-N 3.04Å; S9-L13 WeakPolarHBondContact O-CD1 3.46Å
10L59.5Low64Low127 Ų127114.9 Ų114.967%0.66568%0.679SS**Hα-helixtrans-68.3-36.6178.3-142.384.2000112.2L6 I7 A12 L13L6-L10 WeakPolarHBondContact O-CB 3.35Å; L6-L10 PolarHBondContact O-N 2.97Å; I7-L10 PolarHBondContact O-N 2.96Å; L10-A12 VanDerWaalsContact C-N 3.33Å; L10-L13 PolarHBondContact O-N 3.29Å
11L60.8Low65.4Low118 Ų118113.2 Ų113.262%0.61867%0.67SS**Hα-helixtrans-68.3-30.9174.5-77.7155.8000112.5I7 L8 L13 C14I7-L11 HydrophobicContact CG2-CD1 3.85Å; I7-L11 WeakPolarHBondContact O-CD1 3.47Å; I7-L11 WeakPolarHBondContact O-CG 3.38Å; I7-L11 PolarHBondContact O-N 3.47Å; L8-L11 PolarHBondContact O-N 2.84Å; L11-L13 PolarHBondContact O-N 2.83Å; L11-C14 PolarHBondContact O-N 3.45Å
12A60.4Low67Low86 Ų86106.1 Ų106.171%0.71164%0.638SS**THydrogen-bonded Turntrans-73.4-12.4176.600000114L8 S9 L10L8-A12 PolarHBondContact O-N 3.35Å; L8-A12 VanDerWaalsContact O-N 3.14Å; S9-A12 PolarHBondContact O-N 3.04Å; L10-A12 VanDerWaalsContact C-N 3.33Å
13L60.6Low68.7Low135 Ų135105.3 Ų105.371%0.70763%0.625SS**THydrogen-bonded Turntrans-86.4-2.5175.3-82143.9000113.4S9 L10 L11 S15S9-L13 WeakPolarHBondContact O-CD1 3.46Å; L10-L13 PolarHBondContact O-N 3.29Å; L11-L13 PolarHBondContact O-N 2.83Å; L13-S15 VanDerWaalsContact C-N 3.33Å; L13-S15 PolarHBondContact O-N 3.32Å
14C61.9Low70.7Confident108 Ų10898.4 Ų98.473%0.7360%0.602SS**  trans-78.382.4171.4-101.20000110.1L11 A16L11-C14 PolarHBondContact O-N 3.45Å; C14-A16 PolarHBondContact O-N 3.12Å
15S64.9Low72.4Confident112 Ų11297 Ų9778%0.78359%0.588SS**  trans-66.5100.4161.839.50000108.7L13 S17L13-S15 VanDerWaalsContact C-N 3.33Å; L13-S15 PolarHBondContact O-N 3.32Å; S15-S17 PolarHBondContact O-N 3.19Å; S15-S17 VanDerWaalsContact O-N 3.09Å
16A65.6Low73.9Confident100 Ų10099.5 Ų99.583%0.82661%0.606SS**  trans-68.8102.6173.400000109.5C14 S18C14-A16 PolarHBondContact O-N 3.12Å; A16-S18 PolarHBondContact O-N 2.87Å
17S67.5Low75.5Confident122 Ų12297.8 Ų97.885%0.85361%0.609SS**  trans-76.3109.4170.2420000109.5S15S15-S17 PolarHBondContact O-N 3.19Å; S15-S17 VanDerWaalsContact O-N 3.09Å
18S69.8Low77Confident114 Ų11497.1 Ų97.180%0.79761%0.606SS**PPolyproline II helixtrans-86.5127.5173.6-172.10000110.1A16A16-S18 PolarHBondContact O-N 2.87Å
19Q80.2Confident78.6Confident169 Ų16997.8 Ų97.879%0.7962%0.616SS**PPolyproline II helixtrans-85.4138.4174.4-173174.4-0.100110.1V21Q19-V21 PolarHBondContact O-N 3.46Å
20A85.7Confident80.2Confident38 Ų3897.5 Ų97.531%0.31461%0.611SS.*PPolyproline II helixtrans-62.5129.417300000110.4T44 Y112A20-T44 HydrophobicContact CB-CG2 3.71Å; A20-Y112 HydrophobicContact CB-CE2 4.37Å
21V92.4Very high81.9Confident81 Ų8195.2 Ų95.249%0.49161%0.606SS.*  trans-106.6132.7177.7-179.60000108.4Q19 S43Q19-V21 PolarHBondContact O-N 3.46Å; V21-S43 PolarHBondContact N-OG 2.8Å; V21-S43 PolarHBondContact O-N 2.92Å
22V94.6Very high83.6Confident60 Ų6095.2 Ų95.236%0.36461%0.613SS.*EExtended strand (participates in β ladder)trans-101130.7173.2-175.20000108.2C40 R41 C108 L110V22-C40 WeakPolarHBondContact CG1-SG 3.48Å; V22-R41 WeakPolarHBondContact CA-O 3.3Å; V22-C108 WeakPolarHBondContact CG1-SG 3.46Å; V22-L110 HydrophobicContact CG1-CD1 4.36Å; V22-L110 HydrophobicContact CG1-CG 4.26Å; V22-L110 HydrophobicContact CG2-CB 4.36Å; V22-L110 HydrophobicContact CG2-CD1 3.96Å; V22-L110 HydrophobicContact CG2-CG 4.01Å
23T96.2Very high85.4Confident60 Ų6093.8 Ų93.837%0.36861%0.606SS.*EExtended strand (participates in β ladder)trans-124.3136.7179.1-40.80000110.4C40 R41T23-C40 WeakPolarHBondContact O-CA 3.5Å; T23-R41 PolarHBondContact N-O 3.45Å; T23-R41 PolarHBondContact O-N 3.41Å
24Q96.3Very high87.2Confident62 Ų6288 Ų8829%0.2958%0.58SS.*EExtended strand (participates in β ladder)trans-136.5171.8174.158.1176.971.700109.6T39 Y106 C108Q24-T39 VanDerWaalsContact CA-O 3.26Å; Q24-T39 WeakPolarHBondContact CA-O 3.26Å; Q24-T39 VanDerWaalsContact CB-O 3.26Å; Q24-T39 WeakPolarHBondContact CB-O 3.39Å; Q24-Y106 PolarHBondContact NE2-O 3.02Å; Q24-C108 VanDerWaalsContact OE1-N 3.13Å
25E95.6Very high88.9Confident61 Ų6186.6 Ų86.629%0.28557%0.568SS.*  trans-62.4143.9173.1-60.477.8-166.200111.1L28 T39E25-L28 HydrophobicContact CB-CD1 3.99Å; E25-L28 HydrophobicContact CB-CD2 4.3Å; E25-L28 HydrophobicContact CB-CG 3.95Å; E25-L28 HydrophobicContact CG-CD1 4.08Å; E25-L28 HydrophobicContact CG-CD2 4.22Å; E25-L28 HydrophobicContact CG-CG 4.28Å; E25-T39 WeakPolarHBondContact OE1-CB 3.48Å; E25-T39 PolarHBondContact OE1-N 3.33Å; E25-T39 PolarHBondContact OE1-OG1 3.26Å; E25-T39 PolarHBondContact OE2-N 2.95Å; E25-T39 VanDerWaalsContact OE2-O 3.11Å
26S92.9Very high90.4Very high126 Ų12682.4 Ų82.488%0.88154%0.537SS*.SBendtrans-75.6-36.8-179.551.90000113
27A94.6Very high92Very high82 Ų8281.3 Ų81.368%0.67852%0.517SS*.  trans-158.6144.2175.400000109.7
28L95.3Very high93.4Very high83 Ų8376.2 Ų76.244%0.43548%0.48SS..  trans-135.1144.1175.1-70168.3000108.6E25 V36 L38E25-L28 HydrophobicContact CB-CD1 3.99Å; E25-L28 HydrophobicContact CB-CD2 4.3Å; E25-L28 HydrophobicContact CB-CG 3.95Å; E25-L28 HydrophobicContact CG-CD1 4.08Å; E25-L28 HydrophobicContact CG-CD2 4.22Å; E25-L28 HydrophobicContact CG-CG 4.28Å; L28-V36 HydrophobicContact CB-CG2 3.9Å; L28-V36 HydrophobicContact CD1-CG2 3.99Å; L28-L38 HydrophobicContact CD1-CB 4.42Å; L28-L38 HydrophobicContact CD1-CG 3.96Å
29T94.8Very high94.8Very high140 Ų14071.9 Ų71.986%0.85945%0.448SS*.  trans-126.5148.7177.157.60000110
30T95.3Very high95.5Very high63 Ų6363.8 Ų63.839%0.38741%0.411SS..  trans-149.9157.9176.5-163.90000109.7T35 V36 A98T30-T35 PolarHBondContact OG1-O 3.32Å; T30-V36 HydrophobicContact CG2-CB 4.16Å; T30-V36 HydrophobicContact CG2-CG1 4.32Å; T30-A98 HydrophobicContact CG2-CB 3.59Å
31S95.4Very high96Very high79 Ų7968.3 Ų68.355%0.55242%0.42SS*.  trans-77154.8173.957.20000110.7G33 G34S31-G33 PolarHBondContact O-N 3.47Å; S31-G34 WeakPolarHBondContact O-CA 3.31Å; S31-G34 PolarHBondContact O-N 2.98Å
32P96.1Very high96.2Very high119 Ų11965.2 Ų65.277%0.77340%0.401SS*.THydrogen-bonded Turntrans-51.8134170.2-26.235.1000111.4G34P32-G34 PolarHBondContact O-N 2.9Å
33G97.3Very high96Very high55 Ų5565.9 Ų65.957%0.56741%0.409SS*.THydrogen-bonded Turntrans77.3-6.4-173.900000115S31 G97 A98S31-G33 PolarHBondContact O-N 3.47Å; G33-G97 WeakPolarHBondContact O-CA 3.19Å; G33-A98 PolarHBondContact N-O 3.37Å
34G98.1Very high95.7Very high15 Ų1567 Ų6716%0.15542%0.416CS..  trans-69.9175.5176.700000113S31 P32 G97 A98S31-G34 WeakPolarHBondContact O-CA 3.31Å; S31-G34 PolarHBondContact O-N 2.98Å; P32-G34 PolarHBondContact O-N 2.9Å; G34-G97 PolarHBondContact O-N 3.41Å; G34-A98 PolarHBondContact O-N 2.85Å
35T98.1Very high95.4Very high78 Ų7866 Ų6648%0.47942%0.423SS..  trans-111.6137.2172.4-61.20000109.3T30 I37 T94 I95 T96T30-T35 PolarHBondContact OG1-O 3.32Å; T35-I37 HydrophobicContact CG2-CG1 4.37Å; T35-T94 HydrophobicContact CG2-CG2 3.89Å; T35-I95 VanDerWaalsContact CA-O 3.3Å; T35-I95 WeakPolarHBondContact CA-O 3.26Å; T35-T96 HydrophobicContact CG2-CG2 4.02Å
36V97.4Very high95.4Very high23 Ų2365.5 Ų65.514%0.13943%0.428CS..EExtended strand (participates in β ladder)trans-126.1142.1170.861.40000109.3L28 T30 L38 T94 I95L28-V36 HydrophobicContact CB-CG2 3.9Å; L28-V36 HydrophobicContact CD1-CG2 3.99Å; T30-V36 HydrophobicContact CG2-CB 4.16Å; T30-V36 HydrophobicContact CG2-CG1 4.32Å; V36-L38 HydrophobicContact CG1-CD1 4.38Å; V36-L38 HydrophobicContact CG2-CD1 4.38Å; V36-T94 WeakPolarHBondContact O-CA 3.45Å; V36-I95 HydrophobicContact CG1-CB 3.79Å; V36-I95 HydrophobicContact CG1-CD1 4.04Å; V36-I95 HydrophobicContact CG1-CG1 4.17Å; V36-I95 PolarHBondContact N-O 3.36Å; V36-I95 PolarHBondContact O-N 3.37Å
37I98.1Very high95.5Very high78 Ų7859.6 Ų59.640%0.439%0.387SS..EExtended strand (participates in β ladder)trans-125.3112.6178.6-55.1177000107.3T35 T39 I87 A92 L93 T94T35-I37 HydrophobicContact CG2-CG1 4.37Å; I37-T39 HydrophobicContact CG2-CG2 4.39Å; I37-I87 HydrophobicContact CG2-CD1 3.83Å; I37-A92 HydrophobicContact CG2-CB 4.05Å; I37-L93 CarbonylContact C-O 3.15Å; I37-L93 WeakPolarHBondContact CA-O 2.93Å; I37-T94 HydrophobicContact CG1-CG2 4.13Å
38L97.9Very high95.5Very high15 Ų1558 Ų588%0.07937%0.369CS..EExtended strand (participates in β ladder)trans-90.3141.1172.5-57.784.8000108.4L28 V36 W55 A92 L93 I95 Y106L28-L38 HydrophobicContact CD1-CB 4.42Å; L28-L38 HydrophobicContact CD1-CG 3.96Å; V36-L38 HydrophobicContact CG1-CD1 4.38Å; V36-L38 HydrophobicContact CG2-CD1 4.38Å; L38-W55 HydrophobicContact CB-CH2 3.7Å; L38-W55 HydrophobicContact CB-CZ3 3.81Å; L38-W55 HydrophobicContact CD2-CZ3 4.33Å; L38-A92 CarbonylContact O-C 3.57Å; L38-A92 VanDerWaalsContact O-CA 3.23Å; L38-A92 WeakPolarHBondContact O-CA 3.48Å; L38-L93 HydrophobicContact CB-CB 4.37Å; L38-L93 HydrophobicContact CD1-CB 4.44Å; L38-L93 HydrophobicContact CD1-CD2 4.18Å; L38-L93 HydrophobicContact CD1-CG 4.34Å; L38-L93 PolarHBondContact N-O 2.85Å; L38-L93 PolarHBondContact O-N 2.99Å; L38-I95 HydrophobicContact CD1-CD1 3.99Å; L38-I95 HydrophobicContact CD1-CG1 4.36Å; L38-Y106 HydrophobicContact CD2-CD2 4.14Å; L38-Y106 HydrophobicContact CD2-CG 3.87Å
39T98Very high95.4Very high22 Ų2259 Ų5914%0.13538%0.378CS..EExtended strand (participates in β ladder)trans-121.9150.4176.478.50000112.7Q24 E25 I37 A91Q24-T39 VanDerWaalsContact CA-O 3.26Å; Q24-T39 WeakPolarHBondContact CA-O 3.26Å; Q24-T39 VanDerWaalsContact CB-O 3.26Å; Q24-T39 WeakPolarHBondContact CB-O 3.39Å; E25-T39 WeakPolarHBondContact OE1-CB 3.48Å; E25-T39 PolarHBondContact OE1-N 3.33Å; E25-T39 PolarHBondContact OE1-OG1 3.26Å; E25-T39 PolarHBondContact OE2-N 2.95Å; E25-T39 VanDerWaalsContact OE2-O 3.11Å; I37-T39 HydrophobicContact CG2-CG2 4.39Å; T39-A91 CarbonylContact C-O 3.6Å; T39-A91 VanDerWaalsContact CA-O 3.26Å; T39-A91 WeakPolarHBondContact CA-O 3.29Å
40C96.2Very high95.2Very high0 Ų055.4 Ų55.40%036%0.359CS..EExtended strand (participates in β ladder)trans-136.1126.5-177.7-1800000109.7V22 T23 W55 K90 A91 C108V22-C40 WeakPolarHBondContact CG1-SG 3.48Å; T23-C40 WeakPolarHBondContact O-CA 3.5Å; C40-W55 HydrophobicContact CB-CH2 3.87Å; C40-W55 HydrophobicContact CB-CZ2 3.82Å; C40-K90 WeakPolarHBondContact O-CA 2.97Å; C40-K90 WeakPolarHBondContact O-CB 3.32Å; C40-A91 HydrophobicContact CB-CB 4.26Å; C40-A91 PolarHBondContact N-O 2.89Å; C40-A91 PolarHBondContact O-N 2.95Å; C40-C108 HydrophobicContact CB-CB 3.45Å; C40-C108 VanDerWaalsContact CB-CB 3.45Å; C40-C108 WeakPolarHBondContact CB-SG 3.47Å; C40-C108 WeakPolarHBondContact SG-CB 3.48Å; C40-C108 CovalentContact SG-SG 2.02Å; C40-C108 PolarHBondContact SG-SG 2.95Å
41R96.2Very high95.1Very high133 Ų13354.8 Ų54.850%0.50235%0.354SS..EExtended strand (participates in β ladder)trans-126.6154.7179.369.7174.9-175.3154.5-0112.2V22 T23 K90V22-R41 WeakPolarHBondContact CA-O 3.3Å; T23-R41 PolarHBondContact N-O 3.45Å; T23-R41 PolarHBondContact O-N 3.41Å; R41-K90 HydrophobicContact CB-CD 4.35Å; R41-K90 HydrophobicContact CB-CG 4.05Å
42S95Very high95Very high15 Ų1554 Ų5411%0.10534%0.339CS..EExtended strand (participates in β ladder)trans-98.4146.5170.7-179.90000111.4T44 G45 Y112S42-T44 PolarHBondContact O-N 3.2Å; S42-T44 PolarHBondContact OG-N 2.95Å; S42-T44 PolarHBondContact OG-OG1 2.88Å; S42-G45 WeakPolarHBondContact CB-O 3.36Å; S42-Y112 VanDerWaalsContact CB-OH 3.25Å; S42-Y112 WeakPolarHBondContact CB-OH 3.43Å; S42-Y112 PolarHBondContact OG-OH 3.3Å
43S92.3Very high95Very high74 Ų7448.4 Ų48.452%0.51730%0.302SS..SBendtrans-73.6-12.6167.166.50000113.9V21V21-S43 PolarHBondContact N-OG 2.8Å; V21-S43 PolarHBondContact O-N 2.92Å
44T89.1Confident94.9Very high84 Ų8448.2 Ų48.252%0.51529%0.288SS..SBendtrans-110.2-1.5-170.157.50000114.2A20 S42A20-T44 HydrophobicContact CB-CG2 3.71Å; S42-T44 PolarHBondContact O-N 3.2Å; S42-T44 PolarHBondContact OG-N 2.95Å; S42-T44 PolarHBondContact OG-OG1 2.88Å
45G90.6Very high94.9Very high42 Ų4247.6 Ų47.643%0.43328%0.281SS..SBendtrans156.4-172.1176.300000113.9S42S42-G45 WeakPolarHBondContact CB-O 3.36Å
46A94.7Very high94.9Very high49 Ų4945.9 Ų45.941%0.40527%0.271SS..  trans-72.8138.818000000112.1T48 D89A46-T48 HydrophobicContact CB-CG2 4.18Å; A46-D89 HydrophobicContact CB-CB 3.82Å
47V95.3Very high94.8Very high3 Ų345.3 Ų45.32%0.01827%0.267CS..  trans-78.3126.1165.3-1730000107.9N51 A53 L86 D89 A91 L110V47-N51 CarbonylContact C-O 3.57Å; V47-N51 WeakPolarHBondContact CA-O 3.44Å; V47-N51 VanDerWaalsContact CG1-O 3.27Å; V47-N51 WeakPolarHBondContact CG1-O 3.32Å; V47-A53 HydrophobicContact CG1-CB 4.45Å; V47-L86 HydrophobicContact CB-CD2 4.48Å; V47-L86 HydrophobicContact CG1-CD2 4.1Å; V47-D89 WeakPolarHBondContact CB-O 3.17Å; V47-D89 PolarHBondContact N-O 2.62Å; V47-A91 HydrophobicContact CG1-CB 3.8Å; V47-L110 HydrophobicContact CG1-CD2 3.9Å; V47-L110 HydrophobicContact CG2-CD1 3.9Å; V47-L110 HydrophobicContact CG2-CD2 3.88Å
48T95.1Very high94.7Very high49 Ų4943.4 Ų43.430%0.30126%0.256SS..  trans-134.1-174.6-176.170.10000110.2A46 S50 N51 Y52 T71A46-T48 HydrophobicContact CB-CG2 4.18Å; T48-S50 PolarHBondContact O-N 3.33Å; T48-S50 PolarHBondContact OG1-N 3.44Å; T48-S50 VanDerWaalsContact OG1-N 3.12Å; T48-N51 PolarHBondContact N-O 2.8Å; T48-N51 CarbonylContact O-C 3.54Å; T48-N51 VanDerWaalsContact O-C 3.29Å; T48-N51 VanDerWaalsContact O-O 3.11Å; T48-N51 PolarHBondContact OG1-N 2.86Å; T48-Y52 WeakPolarHBondContact O-CA 3.34Å; T48-Y52 WeakPolarHBondContact O-CB 3.37Å; T48-Y52 PolarHBondContact O-N 3.1Å; T48-T71 PolarHBondContact O-OG1 3.39Å
49T92.8Very high94.1Very high102 Ų10247 Ų4763%0.62627%0.271SS*.SBendtrans-71.5-15.9169.5500000113.3Y52T49-Y52 WeakPolarHBondContact O-CD1 3.4Å
50S90.9Very high93.5Very high66 Ų6651.6 Ų51.646%0.46230%0.301SS..SBendtrans-96.2-33.4175-53.70000112.6T48 S113T48-S50 PolarHBondContact O-N 3.33Å; T48-S50 PolarHBondContact OG1-N 3.44Å; T48-S50 VanDerWaalsContact OG1-N 3.12Å; S50-S113 WeakPolarHBondContact O-CB 3.47Å; S50-S113 PolarHBondContact O-N 2.82Å
51N92Very high93Very high49 Ų4956 Ų5626%0.26233%0.325SS..EExtended strand (participates in β ladder)trans-112.977.3171.9-66-34.1000108.3V47 T48 W111 Y112 S113V47-N51 CarbonylContact C-O 3.57Å; V47-N51 WeakPolarHBondContact CA-O 3.44Å; V47-N51 VanDerWaalsContact CG1-O 3.27Å; V47-N51 WeakPolarHBondContact CG1-O 3.32Å; T48-N51 PolarHBondContact N-O 2.8Å; T48-N51 CarbonylContact O-C 3.54Å; T48-N51 VanDerWaalsContact O-C 3.29Å; T48-N51 VanDerWaalsContact O-O 3.11Å; T48-N51 PolarHBondContact OG1-N 2.86Å; N51-W111 CarbonylContact C-O 3.5Å; N51-W111 VanDerWaalsContact CA-O 3.26Å; N51-W111 WeakPolarHBondContact CA-O 3.42Å; N51-Y112 HydrophobicContact CB-CD1 4.19Å; N51-Y112 WeakPolarHBondContact OD1-CA 3.43Å; N51-S113 PolarHBondContact OD1-N 3.07Å; N51-S113 VanDerWaalsContact OD1-N 3.12Å
52Y93.4Very high92.4Very high64 Ų6456.1 Ų56.125%0.25133%0.331SS..EExtended strand (participates in β ladder)trans-102.8159-161.454-96.8000113.3T48 T49 G70 T71 L110 W111T48-Y52 WeakPolarHBondContact O-CA 3.34Å; T48-Y52 WeakPolarHBondContact O-CB 3.37Å; T48-Y52 PolarHBondContact O-N 3.1Å; T49-Y52 WeakPolarHBondContact O-CD1 3.4Å; Y52-G70 VanDerWaalsContact CD2-CA 3.45Å; Y52-T71 WeakPolarHBondContact CB-OG1 3.18Å; Y52-L110 WeakPolarHBondContact O-CA 3.42Å; Y52-W111 HydrophobicContact CD2-CB 4.11Å; Y52-W111 HydrophobicContact CE1-CB 4.46Å; Y52-W111 AromaticContact CE1-CD1 3.92Å; Y52-W111 HydrophobicContact CE1-CG 4.45Å; Y52-W111 HydrophobicContact CE2-CB 3.72Å; Y52-W111 HydrophobicContact CE2-CG 4.2Å; Y52-W111 AromaticContact CZ-CD1 3.74Å; Y52-W111 AromaticContact CZ-CG 3.92Å; Y52-W111 PolarHBondContact N-O 2.93Å; Y52-W111 VanDerWaalsContact N-O 3.07Å; Y52-W111 PolarHBondContact O-N 3.5Å
53A95.7Very high92.2Very high0 Ų060.4 Ų60.40%035%0.352CS..EExtended strand (participates in β ladder)trans-90.3149170.700000111.9V47 T71 A91 A109 L110V47-A53 HydrophobicContact CG1-CB 4.45Å; A53-T71 PolarHBondContact O-N 2.88Å; A53-A91 HydrophobicContact CB-CB 3.28Å; A53-A109 CarbonylContact C-O 3.36Å; A53-A109 WeakPolarHBondContact CA-O 3.33Å; A53-L110 HydrophobicContact CB-CD2 3.63Å
54N97Very high92.2Very high51 Ų5163.3 Ų63.327%0.27336%0.356SS..EExtended strand (participates in β ladder)trans-113.2140.7157.9-53-81.7000107.7I68 G69 G70 C108 A109N54-I68 CarbonylContact C-O 3.58Å; N54-I68 VanDerWaalsContact CA-O 3.27Å; N54-I68 WeakPolarHBondContact CA-O 3.27Å; N54-G69 WeakPolarHBondContact OD1-CA 3.39Å; N54-G70 PolarHBondContact OD1-N 2.91Å; N54-C108 WeakPolarHBondContact O-CA 3.28Å; N54-A109 PolarHBondContact N-O 3.14Å; N54-A109 PolarHBondContact O-N 3.44Å
55W97.9Very high92.4Very high2 Ų261.4 Ų61.41%0.00834%0.344CS..EExtended strand (participates in β ladder)trans-110.2131.6179-71.596.7000109.8L38 C40 L67 I68 A91 L93 C108L38-W55 HydrophobicContact CB-CH2 3.7Å; L38-W55 HydrophobicContact CB-CZ3 3.81Å; L38-W55 HydrophobicContact CD2-CZ3 4.33Å; C40-W55 HydrophobicContact CB-CH2 3.87Å; C40-W55 HydrophobicContact CB-CZ2 3.82Å; W55-L67 HydrophobicContact CB-CB 4.21Å; W55-L67 PolarHBondContact O-N 2.79Å; W55-I68 HydrophobicContact CB-CB 4.27Å; W55-I68 PolarHBondContact N-O 3.29Å; W55-I68 PolarHBondContact O-N 3.24Å; W55-A91 HydrophobicContact CZ2-CB 4.41Å; W55-L93 HydrophobicContact CB-CD1 4.4Å; W55-L93 HydrophobicContact CB-CD2 4.22Å; W55-L93 HydrophobicContact CD2-CB 3.48Å; W55-L93 VanDerWaalsContact CD2-CB 3.48Å; W55-L93 HydrophobicContact CD2-CD2 3.96Å; W55-L93 HydrophobicContact CD2-CG 4.23Å; W55-L93 VanDerWaalsContact CE2-CB 3.46Å; W55-L93 HydrophobicContact CE3-CB 3.79Å; W55-L93 HydrophobicContact CE3-CD2 3.74Å; W55-L93 HydrophobicContact CE3-CG 4.39Å; W55-L93 HydrophobicContact CG-CB 3.92Å; W55-L93 HydrophobicContact CG-CD1 4.29Å; W55-L93 HydrophobicContact CG-CD2 4.18Å; W55-L93 HydrophobicContact CG-CG 4.37Å; W55-L93 HydrophobicContact CH2-CB 4.04Å; W55-L93 HydrophobicContact CZ2-CB 3.76Å; W55-L93 HydrophobicContact CZ3-CB 4.05Å; W55-L93 HydrophobicContact CZ3-CD2 4.36Å; W55-C108 HydrophobicContact CD2-CB 4.22Å; W55-C108 HydrophobicContact CE3-CB 3.99Å; W55-C108 HydrophobicContact CH2-CB 4.1Å; W55-C108 HydrophobicContact CZ2-CB 4.31Å; W55-C108 HydrophobicContact CZ3-CB 3.93Å
56V97Very high92.7Very high43 Ų4361.3 Ų61.326%0.26134%0.343SS..EExtended strand (participates in β ladder)trans-127.9147.2176.1-59.20000110F64 T65 Y106 F107V56-F64 HydrophobicContact CG2-CD1 4.4Å; V56-T65 CarbonylContact C-O 3.58Å; V56-T65 VanDerWaalsContact CA-O 3.32Å; V56-T65 WeakPolarHBondContact CA-O 3.21Å; V56-Y106 WeakPolarHBondContact O-CA 3.45Å; V56-F107 HydrophobicContact CG2-CB 3.72Å; V56-F107 HydrophobicContact CG2-CD2 4.34Å; V56-F107 PolarHBondContact N-O 3.01Å; V56-F107 PolarHBondContact O-N 3.34Å
57Q96.4Very high92.9Very high11 Ų1159.1 Ų59.15%0.05132%0.324CS..EExtended strand (participates in β ladder)trans-112.1130.3173.7-172.9-175.52300108.6F64 T65 L67 A104 M105 Y106Q57-F64 CarbonylContact O-C 3.53Å; Q57-F64 WeakPolarHBondContact O-CA 3.34Å; Q57-T65 PolarHBondContact N-O 2.83Å; Q57-T65 PolarHBondContact O-N 3.31Å; Q57-L67 HydrophobicContact CB-CD1 3.94Å; Q57-L67 HydrophobicContact CB-CD2 4.14Å; Q57-L67 HydrophobicContact CB-CG 4.05Å; Q57-A104 HydrophobicContact CG-CB 3.68Å; Q57-A104 VanDerWaalsContact NE2-CB 3.33Å; Q57-M105 CarbonylContact C-O 3.29Å; Q57-M105 WeakPolarHBondContact CA-O 3.36Å; Q57-Y106 HydrophobicContact CB-CD1 4.16Å; Q57-Y106 HydrophobicContact CB-CE1 4.07Å; Q57-Y106 HydrophobicContact CG-CD1 4.16Å; Q57-Y106 HydrophobicContact CG-CE1 3.77Å; Q57-Y106 PolarHBondContact NE2-OH 2.92Å; Q57-Y106 VanDerWaalsContact NE2-OH 3.16Å
58E94.9Very high93.1Very high38 Ų3859.2 Ų59.218%0.17832%0.324CS..EExtended strand (participates in β ladder)trans-95115.5165.6-179.6-175.5-171.100108.3H62 F64 A104 M105 F107E58-H62 IonicContact OE1-CE1 3.45Å; E58-H62 IonicContact OE1-CG 2.84Å; E58-H62 IonicContact OE1-ND1 3.82Å; E58-H62 PolarHBondContact OE1-ND1 2.63Å; E58-F64 HydrophobicContact CB-CD1 4.06Å; E58-F64 HydrophobicContact CB-CE1 3.79Å; E58-F64 HydrophobicContact CB-CZ 4.31Å; E58-F64 HydrophobicContact CG-CE1 4.15Å; E58-F64 HydrophobicContact CG-CZ 4.16Å; E58-A104 WeakPolarHBondContact O-CB 3.42Å; E58-M105 HydrophobicContact CB-CB 4.15Å; E58-M105 PolarHBondContact N-O 3.16Å; E58-M105 PolarHBondContact O-N 2.98Å; E58-F107 HydrophobicContact CB-CE2 3.91Å; E58-F107 WeakPolarHBondContact OE2-CE2 3.32Å
59K85.4Confident93.1Very high89 Ų8957.9 Ų57.939%0.38732%0.32SS..  trans-79.7165.1177-71.7-177.4-177.6-178.60110.9D61 H62 L63K59-D61 WeakPolarHBondContact CB-OD1 3.29Å; K59-D61 PolarHBondContact O-N 2.82Å; K59-H62 PolarHBondContact O-N 2.88Å; K59-L63 PolarHBondContact N-O 3.25Å; K59-L63 VanDerWaalsContact N-O 3.1Å
60P85Confident93.1Very high119 Ų11954 Ų5477%0.77330%0.301SS*.THydrogen-bonded Turntrans-57.4-17.5-179.4-27.735.9000115.7H62P60-H62 VanDerWaalsContact C-N 3.29Å
61D86.4Confident93.2Very high92 Ų9251.2 Ų51.249%0.49228%0.282SS..THydrogen-bonded Turntrans-88.110.5174.660.5-1.3000113.7K59 L63K59-D61 WeakPolarHBondContact CB-OD1 3.29Å; K59-D61 PolarHBondContact O-N 2.82Å; D61-L63 HydrophobicContact CB-CG 4.5Å; D61-L63 PolarHBondContact O-N 3.15Å; D61-L63 WeakPolarHBondContact OD1-CB 3.33Å; D61-L63 PolarHBondContact OD1-N 2.89Å; D61-L63 VanDerWaalsContact OD1-N 3.14Å; D61-L63 WeakPolarHBondContact OD2-CD1 3.15Å
62H84.3Confident93.4Very high136 Ų13652.4 Ų52.463%0.6329%0.293SS*.SBendtrans6119-175.4-59-67.2000114.6E58 K59 P60E58-H62 IonicContact OE1-CE1 3.45Å; E58-H62 IonicContact OE1-CG 2.84Å; E58-H62 IonicContact OE1-ND1 3.82Å; E58-H62 PolarHBondContact OE1-ND1 2.63Å; K59-H62 PolarHBondContact O-N 2.88Å; P60-H62 VanDerWaalsContact C-N 3.29Å
63L89.5Confident93.6Very high106 Ų10654.5 Ų54.556%0.55531%0.309SS*.  trans-86.5125.6172.5-62.4-176.9000110.6K59 D61K59-L63 PolarHBondContact N-O 3.25Å; K59-L63 VanDerWaalsContact N-O 3.1Å; D61-L63 HydrophobicContact CB-CG 4.5Å; D61-L63 PolarHBondContact O-N 3.15Å; D61-L63 WeakPolarHBondContact OD1-CB 3.33Å; D61-L63 PolarHBondContact OD1-N 2.89Å; D61-L63 VanDerWaalsContact OD1-N 3.14Å; D61-L63 WeakPolarHBondContact OD2-CD1 3.15Å
64F92.6Very high93.7Very high134 Ų13459.8 Ų59.859%0.58833%0.329SS*.EExtended strand (participates in β ladder)trans-82124174-68.3-86.9000110.6V56 Q57 E58 F107V56-F64 HydrophobicContact CG2-CD1 4.4Å; Q57-F64 CarbonylContact O-C 3.53Å; Q57-F64 WeakPolarHBondContact O-CA 3.34Å; E58-F64 HydrophobicContact CB-CD1 4.06Å; E58-F64 HydrophobicContact CB-CE1 3.79Å; E58-F64 HydrophobicContact CB-CZ 4.31Å; E58-F64 HydrophobicContact CG-CE1 4.15Å; E58-F64 HydrophobicContact CG-CZ 4.16Å; F64-F107 HydrophobicContact CE1-CD2 4.13Å; F64-F107 HydrophobicContact CE1-CE2 4.05Å
65T94.3Very high93.8Very high45 Ų4558.8 Ų58.828%0.27633%0.328SS..EExtended strand (participates in β ladder)trans-113.3126.9174.3-54.70000109.5V56 Q57V56-T65 CarbonylContact C-O 3.58Å; V56-T65 VanDerWaalsContact CA-O 3.32Å; V56-T65 WeakPolarHBondContact CA-O 3.21Å; Q57-T65 PolarHBondContact N-O 2.83Å; Q57-T65 PolarHBondContact O-N 3.31Å
66G96.9Very high93.7Very high39 Ų3965.1 Ų65.140%0.40237%0.369SS..EExtended strand (participates in β ladder)trans-70131.2170.700000111A75 V78G66-A75 WeakPolarHBondContact O-CB 3.23Å; G66-V78 VanDerWaalsContact O-CG2 3.31Å; G66-V78 WeakPolarHBondContact O-CG2 3.17Å
67L98Very high93.6Very high3 Ų367.2 Ų67.22%0.01640%0.399CS..EExtended strand (participates in β ladder)trans-102.4-61.4179.8-62.5-179.3000111.7W55 Q57 A75 V78 F82 L93 Y106W55-L67 HydrophobicContact CB-CB 4.21Å; W55-L67 PolarHBondContact O-N 2.79Å; Q57-L67 HydrophobicContact CB-CD1 3.94Å; Q57-L67 HydrophobicContact CB-CD2 4.14Å; Q57-L67 HydrophobicContact CB-CG 4.05Å; L67-A75 PolarHBondContact O-N 3.26Å; L67-V78 HydrophobicContact CD2-CG1 4.06Å; L67-V78 HydrophobicContact CD2-CG2 4.3Å; L67-F82 HydrophobicContact CD1-CD1 4Å; L67-F82 HydrophobicContact CD1-CE1 4.06Å; L67-F82 HydrophobicContact CD2-CD1 4.34Å; L67-F82 HydrophobicContact CD2-CE1 4.37Å; L67-L93 HydrophobicContact CD1-CD1 4.49Å; L67-L93 HydrophobicContact CD1-CD2 3.77Å; L67-Y106 HydrophobicContact CD1-CD1 3.74Å; L67-Y106 HydrophobicContact CD1-CE1 3.68Å
68I98.5Very high93.7Very high5 Ų567.4 Ų67.43%0.02640%0.401CS..EExtended strand (participates in β ladder)trans-133.3132.2-176.9-48.6-66000108.6N54 W55 N73 R74 L93N54-I68 CarbonylContact C-O 3.58Å; N54-I68 VanDerWaalsContact CA-O 3.27Å; N54-I68 WeakPolarHBondContact CA-O 3.27Å; W55-I68 HydrophobicContact CB-CB 4.27Å; W55-I68 PolarHBondContact N-O 3.29Å; W55-I68 PolarHBondContact O-N 3.24Å; I68-N73 CarbonylContact C-O 3.53Å; I68-N73 WeakPolarHBondContact CA-O 3.48Å; I68-R74 HydrophobicContact CD1-CB 3.83Å; I68-R74 HydrophobicContact CD1-CG 4.05Å; I68-L93 HydrophobicContact CG1-CD1 3.7Å
69G96.5Very high93.8Very high21 Ų2168 Ų6822%0.21641%0.408CS..EExtended strand (participates in β ladder)trans-118.5156.3171.100000112.5N54 T71 N73N54-G69 WeakPolarHBondContact OD1-CA 3.39Å; G69-T71 VanDerWaalsContact C-N 3.34Å; G69-T71 PolarHBondContact O-N 2.93Å; G69-N73 PolarHBondContact N-O 2.88Å; G69-N73 WeakPolarHBondContact O-CA 3.37Å; G69-N73 WeakPolarHBondContact O-CB 3.43Å; G69-N73 PolarHBondContact O-N 2.84Å; G69-N73 PolarHBondContact O-ND2 2.93Å
70G92.8Very high94.4Very high22 Ų2269.4 Ų69.423%0.22742%0.424CS..THydrogen-bonded Turntrans57.244.5175.800000113.4Y52 N54 S72 N73Y52-G70 VanDerWaalsContact CD2-CA 3.45Å; N54-G70 PolarHBondContact OD1-N 2.91Å; G70-S72 PolarHBondContact O-N 2.81Å; G70-N73 PolarHBondContact O-ND2 2.9Å
71T92.7Very high95Very high7 Ų765.3 Ų65.34%0.04339%0.393CS..THydrogen-bonded Turntrans73.7-45.9-178-56.40000115.9T48 Y52 A53 G69 G84 S85 L86T48-T71 PolarHBondContact O-OG1 3.39Å; Y52-T71 WeakPolarHBondContact CB-OG1 3.18Å; A53-T71 PolarHBondContact O-N 2.88Å; G69-T71 VanDerWaalsContact C-N 3.34Å; G69-T71 PolarHBondContact O-N 2.93Å; T71-G84 CarbonylContact O-C 3.58Å; T71-G84 WeakPolarHBondContact O-CA 3.33Å; T71-S85 PolarHBondContact O-N 2.02Å; T71-L86 HydrophobicContact CG2-CD1 4.19Å; T71-L86 HydrophobicContact CG2-CD2 3.78Å; T71-L86 HydrophobicContact CG2-CG 3.63Å
72S96.3Very high95.6Very high73 Ų7361 Ų6151%0.5137%0.37SS..THydrogen-bonded Turntrans-140.6-4.1-17159.90000115.5G70 R74 G84G70-S72 PolarHBondContact O-N 2.81Å; S72-R74 PolarHBondContact O-N 2.85Å; S72-R74 VanDerWaalsContact O-N 3.12Å; S72-G84 WeakPolarHBondContact CB-O 3.43Å
73N97.3Very high96.2Very high108 Ų10857 Ų5758%0.57836%0.357SS*.EExtended strand (participates in β ladder)trans-78.6102.9-178-53.8-64.6000110.2I68 G69 G70 A75I68-N73 CarbonylContact C-O 3.53Å; I68-N73 WeakPolarHBondContact CA-O 3.48Å; G69-N73 PolarHBondContact N-O 2.88Å; G69-N73 WeakPolarHBondContact O-CA 3.37Å; G69-N73 WeakPolarHBondContact O-CB 3.43Å; G69-N73 PolarHBondContact O-N 2.84Å; G69-N73 PolarHBondContact O-ND2 2.93Å; G70-N73 PolarHBondContact O-ND2 2.9Å; N73-A75 PolarHBondContact O-N 2.57Å
74R98.2Very high96.6Very high112 Ų11252.4 Ų52.442%0.42334%0.336SS..EExtended strand (participates in β ladder)trans-66.4130.5175.2-176.8171.366-125.4-4.5110.8I68 S72 V78 P79 V80 F82I68-R74 HydrophobicContact CD1-CB 3.83Å; I68-R74 HydrophobicContact CD1-CG 4.05Å; S72-R74 PolarHBondContact O-N 2.85Å; S72-R74 VanDerWaalsContact O-N 3.12Å; R74-V78 WeakPolarHBondContact CD-O 3.26Å; R74-V78 HydrophobicContact CG-CB 3.63Å; R74-V78 HydrophobicContact CG-CG1 3.77Å; R74-V78 PolarHBondContact NE-O 3.46Å; R74-P79 WeakPolarHBondContact CD-O 3.47Å; R74-V80 PolarHBondContact NH1-O 2.84Å; R74-F82 WeakPolarHBondContact CD-O 3.29Å; R74-F82 PolarHBondContact NH1-O 2.81Å
75A97.9Very high96.9Very high30 Ų3048.1 Ų48.125%0.24832%0.323CS..PPolyproline II helixtrans-67.5152.5179.600000111.6G66 L67 N73 G77 V78G66-A75 WeakPolarHBondContact O-CB 3.23Å; L67-A75 PolarHBondContact O-N 3.26Å; N73-A75 PolarHBondContact O-N 2.57Å; A75-G77 PolarHBondContact O-N 3.12Å; A75-V78 HydrophobicContact CB-CG2 3.85Å; A75-V78 WeakPolarHBondContact O-CB 3.44Å; A75-V78 WeakPolarHBondContact O-CG2 3.26Å; A75-V78 PolarHBondContact O-N 2.81Å
76P96.4Very high97.1Very high134 Ų13449 Ų4987%0.8733%0.325SS*.THydrogen-bonded Turntrans-56137176.5-2534.7000112.2V78P76-V78 PolarHBondContact O-N 3.4Å
77G95.6Very high97.1Very high87 Ų8751.1 Ų51.190%0.89733%0.327SS*.THydrogen-bonded Turntrans80.1-8.8-179.700000115.2A75A75-G77 PolarHBondContact O-N 3.12Å
78V97.2Very high97Very high16 Ų1654.5 Ų54.510%0.09736%0.362CS..  trans-74.4130.6174.8178.30000109.7G66 L67 R74 A75 P76 F82G66-V78 VanDerWaalsContact O-CG2 3.31Å; G66-V78 WeakPolarHBondContact O-CG2 3.17Å; L67-V78 HydrophobicContact CD2-CG1 4.06Å; L67-V78 HydrophobicContact CD2-CG2 4.3Å; R74-V78 WeakPolarHBondContact CD-O 3.26Å; R74-V78 HydrophobicContact CG-CB 3.63Å; R74-V78 HydrophobicContact CG-CG1 3.77Å; R74-V78 PolarHBondContact NE-O 3.46Å; A75-V78 HydrophobicContact CB-CG2 3.85Å; A75-V78 WeakPolarHBondContact O-CB 3.44Å; A75-V78 WeakPolarHBondContact O-CG2 3.26Å; A75-V78 PolarHBondContact O-N 2.81Å; P76-V78 PolarHBondContact O-N 3.4Å; V78-F82 HydrophobicContact CG1-CB 3.76Å; V78-F82 HydrophobicContact CG1-CD2 4.03Å; V78-F82 HydrophobicContact CG1-CG 3.96Å
79P97.4Very high96.9Very high49 Ų4958.5 Ų58.532%0.31838%0.383SS..  trans-58.7148.7-178-27.736.7000113.7R74 R81 F82R74-P79 WeakPolarHBondContact CD-O 3.47Å; P79-R81 HydrophobicContact CB-CG 4.01Å; P79-R81 PolarHBondContact O-N 3.04Å; P79-F82 HydrophobicContact CB-CD2 4.07Å; P79-F82 HydrophobicContact CB-CE2 4.31Å; P79-F82 HydrophobicContact CG-CD2 4.33Å; P79-F82 HydrophobicContact CG-CE2 4.23Å; P79-F82 PolarHBondContact O-N 3.07Å
80V97.8Very high96.9Very high119 Ų11960.9 Ų60.972%0.72139%0.388SS*.THydrogen-bonded Turntrans-60.1-21.9-177.571.50000114R74 F82R74-V80 PolarHBondContact NH1-O 2.84Å; V80-F82 PolarHBondContact O-N 3.4Å
81R98.1Very high97.1Very high33 Ų3359.9 Ų59.913%0.12538%0.377CS..THydrogen-bonded Turntrans-66-18.7178.175.6-178.1178.3-100-4.3113.9P79 I95 T96 E101 D102P79-R81 HydrophobicContact CB-CG 4.01Å; P79-R81 PolarHBondContact O-N 3.04Å; R81-I95 WeakPolarHBondContact O-CA 3.31Å; R81-T96 VanDerWaalsContact CB-O 3.26Å; R81-T96 WeakPolarHBondContact CB-O 3.26Å; R81-T96 PolarHBondContact O-N 3.09Å; R81-T96 PolarHBondContact O-OG1 3.02Å; R81-E101 IonicContact CZ-OE1 3.78Å; R81-E101 IonicContact NH1-OE1 3.59Å; R81-E101 IonicContact NH2-OE1 2.74Å; R81-E101 PolarHBondContact NH2-OE1 2.86Å; R81-D102 IonicContact CZ-OD1 3.67Å; R81-D102 IonicContact CZ-OD2 3.6Å; R81-D102 IonicContact NE-OD1 3.04Å; R81-D102 PolarHBondContact NE-OD1 3.42Å; R81-D102 IonicContact NE-OD2 3.49Å; R81-D102 PolarHBondContact NE-OD2 2.85Å; R81-D102 IonicContact NH2-OD1 2.71Å; R81-D102 PolarHBondContact NH2-OD1 3.23Å; R81-D102 IonicContact NH2-OD2 3.58Å
82F98.4Very high97.4Very high3 Ų359.6 Ų59.61%0.01338%0.375CS..EExtended strand (participates in β ladder)trans-90.4132.6171.8-66-98.6000110.6L67 R74 V78 P79 V80 L93 T94 I95 D102 Y106L67-F82 HydrophobicContact CD1-CD1 4Å; L67-F82 HydrophobicContact CD1-CE1 4.06Å; L67-F82 HydrophobicContact CD2-CD1 4.34Å; L67-F82 HydrophobicContact CD2-CE1 4.37Å; R74-F82 WeakPolarHBondContact CD-O 3.29Å; R74-F82 PolarHBondContact NH1-O 2.81Å; V78-F82 HydrophobicContact CG1-CB 3.76Å; V78-F82 HydrophobicContact CG1-CD2 4.03Å; V78-F82 HydrophobicContact CG1-CG 3.96Å; P79-F82 HydrophobicContact CB-CD2 4.07Å; P79-F82 HydrophobicContact CB-CE2 4.31Å; P79-F82 HydrophobicContact CG-CD2 4.33Å; P79-F82 HydrophobicContact CG-CE2 4.23Å; P79-F82 PolarHBondContact O-N 3.07Å; V80-F82 PolarHBondContact O-N 3.4Å; F82-L93 HydrophobicContact CD1-CD1 4.37Å; F82-T94 WeakPolarHBondContact CA-O 3.45Å; F82-I95 HydrophobicContact CD1-CB 4.5Å; F82-I95 HydrophobicContact CD1-CD1 4.09Å; F82-I95 HydrophobicContact CD1-CG1 3.72Å; F82-I95 HydrophobicContact CD1-CG2 4.29Å; F82-I95 HydrophobicContact CE1-CB 4.42Å; F82-I95 HydrophobicContact CE1-CD1 3.56Å; F82-I95 HydrophobicContact CE1-CG1 3.67Å; F82-I95 HydrophobicContact CE1-CG2 3.95Å; F82-I95 HydrophobicContact CE2-CG2 4.43Å; F82-I95 HydrophobicContact CZ-CD1 4.4Å; F82-I95 HydrophobicContact CZ-CG2 4.03Å; F82-D102 VanDerWaalsContact CZ-OD1 3.26Å; F82-D102 WeakPolarHBondContact CZ-OD1 3.27Å; F82-Y106 HydrophobicContact CE1-CE1 4.08Å
83S98.4Very high97.5Very high50 Ų5056.1 Ų56.135%0.3535%0.351SS..EExtended strand (participates in β ladder)trans-146.3144.3175.556.90000111.1T94S83-T94 PolarHBondContact N-O 2.89Å; S83-T94 PolarHBondContact O-N 2.92Å; S83-T94 PolarHBondContact OG-O 2.94Å
84G98.3Very high97.6Very high11 Ų1152 Ų5211%0.11333%0.33CS..EExtended strand (participates in β ladder)trans-108.6146.7172.100000111.8T71 S72 A92T71-G84 CarbonylContact O-C 3.58Å; T71-G84 WeakPolarHBondContact O-CA 3.33Å; S72-G84 WeakPolarHBondContact CB-O 3.43Å; G84-A92 CarbonylContact C-O 3.58Å; G84-A92 VanDerWaalsContact CA-O 3.28Å; G84-A92 WeakPolarHBondContact CA-O 3.43Å
85S97.8Very high97.6Very high44 Ų4446.8 Ų46.831%0.30831%0.31SS..EExtended strand (participates in β ladder)trans-154.6-177.5179.562.20000111.1T71 A92T71-S85 PolarHBondContact O-N 2.02Å; S85-A92 PolarHBondContact N-O 3.29Å; S85-A92 PolarHBondContact O-N 3.07Å
86L97.9Very high97.6Very high63 Ų6348.2 Ų48.233%0.3332%0.316SS..EExtended strand (participates in β ladder)trans-112.1135.8168.6-61.6173.6000109.3V47 T71 K90 A91V47-L86 HydrophobicContact CB-CD2 4.48Å; V47-L86 HydrophobicContact CG1-CD2 4.1Å; T71-L86 HydrophobicContact CG2-CD1 4.19Å; T71-L86 HydrophobicContact CG2-CD2 3.78Å; T71-L86 HydrophobicContact CG2-CG 3.63Å; L86-K90 CarbonylContact C-O 3.54Å; L86-K90 VanDerWaalsContact CA-O 3.29Å; L86-K90 WeakPolarHBondContact CA-O 3.37Å; L86-A91 HydrophobicContact CD2-CB 4.49Å
87I97.2Very high97.7Very high84 Ų8443.4 Ų43.443%0.43129%0.291SS..EExtended strand (participates in β ladder)trans-116.896.4169.1-60.8175.6000106.7I37 D89 K90 A92I37-I87 HydrophobicContact CG2-CD1 3.83Å; I87-D89 PolarHBondContact O-N 3.12Å; I87-K90 PolarHBondContact N-O 2.99Å; I87-K90 PolarHBondContact O-N 3.49Å; I87-A92 HydrophobicContact CB-CB 4.48Å; I87-A92 HydrophobicContact CD1-CB 3.53Å; I87-A92 HydrophobicContact CG1-CB 3.68Å
88G96.1Very high97.8Very high73 Ų7339.7 Ų39.775%0.75325%0.252SS*.THydrogen-bonded Turntrans64.4-118.5-171.400000111.2
89D95.8Very high97.7Very high89 Ų8943.3 Ų43.348%0.47627%0.268SS..THydrogen-bonded Turntrans-95.89.2-179.267-18.1000113.7A46 V47 I87A46-D89 HydrophobicContact CB-CB 3.82Å; V47-D89 WeakPolarHBondContact CB-O 3.17Å; V47-D89 PolarHBondContact N-O 2.62Å; I87-D89 PolarHBondContact O-N 3.12Å
90K97.6Very high97.5Very high72 Ų7247.1 Ų47.131%0.31329%0.29SS..EExtended strand (participates in β ladder)trans-113.6145.1-177.4-50.4-173.7-174.61730111.2C40 R41 L86 I87C40-K90 WeakPolarHBondContact O-CA 2.97Å; C40-K90 WeakPolarHBondContact O-CB 3.32Å; R41-K90 HydrophobicContact CB-CD 4.35Å; R41-K90 HydrophobicContact CB-CG 4.05Å; L86-K90 CarbonylContact C-O 3.54Å; L86-K90 VanDerWaalsContact CA-O 3.29Å; L86-K90 WeakPolarHBondContact CA-O 3.37Å; I87-K90 PolarHBondContact N-O 2.99Å; I87-K90 PolarHBondContact O-N 3.49Å
91A97.8Very high97.2Very high1 Ų147.4 Ų47.41%0.00828%0.284CS..EExtended strand (participates in β ladder)trans-73.5145.6161.100000110.2T39 C40 V47 A53 W55 L86T39-A91 CarbonylContact C-O 3.6Å; T39-A91 VanDerWaalsContact CA-O 3.26Å; T39-A91 WeakPolarHBondContact CA-O 3.29Å; C40-A91 HydrophobicContact CB-CB 4.26Å; C40-A91 PolarHBondContact N-O 2.89Å; C40-A91 PolarHBondContact O-N 2.95Å; V47-A91 HydrophobicContact CG1-CB 3.8Å; A53-A91 HydrophobicContact CB-CB 3.28Å; W55-A91 HydrophobicContact CZ2-CB 4.41Å; L86-A91 HydrophobicContact CD2-CB 4.49Å
92A98.3Very high97Very high0 Ų046.5 Ų46.50%028%0.281CS..EExtended strand (participates in β ladder)trans-129.3134.2176.400000110.8I37 L38 G84 S85 I87I37-A92 HydrophobicContact CG2-CB 4.05Å; L38-A92 CarbonylContact O-C 3.57Å; L38-A92 VanDerWaalsContact O-CA 3.23Å; L38-A92 WeakPolarHBondContact O-CA 3.48Å; G84-A92 CarbonylContact C-O 3.58Å; G84-A92 VanDerWaalsContact CA-O 3.28Å; G84-A92 WeakPolarHBondContact CA-O 3.43Å; S85-A92 PolarHBondContact N-O 3.29Å; S85-A92 PolarHBondContact O-N 3.07Å; I87-A92 HydrophobicContact CB-CB 4.48Å; I87-A92 HydrophobicContact CD1-CB 3.53Å; I87-A92 HydrophobicContact CG1-CB 3.68Å
93L98.5Very high96.8Very high0 Ų053 Ų530%032%0.316CS..EExtended strand (participates in β ladder)trans-107.6115.7166.3174.468.3000108.2I37 L38 W55 L67 I68 F82 I95 Y106I37-L93 CarbonylContact C-O 3.15Å; I37-L93 WeakPolarHBondContact CA-O 2.93Å; L38-L93 HydrophobicContact CB-CB 4.37Å; L38-L93 HydrophobicContact CD1-CB 4.44Å; L38-L93 HydrophobicContact CD1-CD2 4.18Å; L38-L93 HydrophobicContact CD1-CG 4.34Å; L38-L93 PolarHBondContact N-O 2.85Å; L38-L93 PolarHBondContact O-N 2.99Å; W55-L93 HydrophobicContact CB-CD1 4.4Å; W55-L93 HydrophobicContact CB-CD2 4.22Å; W55-L93 HydrophobicContact CD2-CB 3.48Å; W55-L93 VanDerWaalsContact CD2-CB 3.48Å; W55-L93 HydrophobicContact CD2-CD2 3.96Å; W55-L93 HydrophobicContact CD2-CG 4.23Å; W55-L93 VanDerWaalsContact CE2-CB 3.46Å; W55-L93 HydrophobicContact CE3-CB 3.79Å; W55-L93 HydrophobicContact CE3-CD2 3.74Å; W55-L93 HydrophobicContact CE3-CG 4.39Å; W55-L93 HydrophobicContact CG-CB 3.92Å; W55-L93 HydrophobicContact CG-CD1 4.29Å; W55-L93 HydrophobicContact CG-CD2 4.18Å; W55-L93 HydrophobicContact CG-CG 4.37Å; W55-L93 HydrophobicContact CH2-CB 4.04Å; W55-L93 HydrophobicContact CZ2-CB 3.76Å; W55-L93 HydrophobicContact CZ3-CB 4.05Å; W55-L93 HydrophobicContact CZ3-CD2 4.36Å; L67-L93 HydrophobicContact CD1-CD1 4.49Å; L67-L93 HydrophobicContact CD1-CD2 3.77Å; I68-L93 HydrophobicContact CG1-CD1 3.7Å; F82-L93 HydrophobicContact CD1-CD1 4.37Å; L93-I95 HydrophobicContact CD2-CD1 4.5Å; L93-I95 HydrophobicContact CG-CG1 4.3Å; L93-Y106 HydrophobicContact CD2-CD1 3.86Å; L93-Y106 HydrophobicContact CD2-CE1 4.31Å
94T98.5Very high96.6Very high22 Ų2251.8 Ų51.814%0.13531%0.309CS..EExtended strand (participates in β ladder)trans-102.6124.8176.7-58.70000109.2T35 V36 I37 F82 S83 T96T35-T94 HydrophobicContact CG2-CG2 3.89Å; V36-T94 WeakPolarHBondContact O-CA 3.45Å; I37-T94 HydrophobicContact CG1-CG2 4.13Å; F82-T94 WeakPolarHBondContact CA-O 3.45Å; S83-T94 PolarHBondContact N-O 2.89Å; S83-T94 PolarHBondContact O-N 2.92Å; S83-T94 PolarHBondContact OG-O 2.94Å; T94-T96 HydrophobicContact CG2-CG2 4.01Å
95I98.3Very high96.4Very high2 Ų255.9 Ų55.91%0.0133%0.327CS..EExtended strand (participates in β ladder)trans-114.1108.2172.8-46.4175000106.6T35 V36 L38 R81 F82 L93 Y106T35-I95 VanDerWaalsContact CA-O 3.3Å; T35-I95 WeakPolarHBondContact CA-O 3.26Å; V36-I95 HydrophobicContact CG1-CB 3.79Å; V36-I95 HydrophobicContact CG1-CD1 4.04Å; V36-I95 HydrophobicContact CG1-CG1 4.17Å; V36-I95 PolarHBondContact N-O 3.36Å; V36-I95 PolarHBondContact O-N 3.37Å; L38-I95 HydrophobicContact CD1-CD1 3.99Å; L38-I95 HydrophobicContact CD1-CG1 4.36Å; R81-I95 WeakPolarHBondContact O-CA 3.31Å; F82-I95 HydrophobicContact CD1-CB 4.5Å; F82-I95 HydrophobicContact CD1-CD1 4.09Å; F82-I95 HydrophobicContact CD1-CG1 3.72Å; F82-I95 HydrophobicContact CD1-CG2 4.29Å; F82-I95 HydrophobicContact CE1-CB 4.42Å; F82-I95 HydrophobicContact CE1-CD1 3.56Å; F82-I95 HydrophobicContact CE1-CG1 3.67Å; F82-I95 HydrophobicContact CE1-CG2 3.95Å; F82-I95 HydrophobicContact CE2-CG2 4.43Å; F82-I95 HydrophobicContact CZ-CD1 4.4Å; F82-I95 HydrophobicContact CZ-CG2 4.03Å; L93-I95 HydrophobicContact CD2-CD1 4.5Å; L93-I95 HydrophobicContact CG-CG1 4.3Å; I95-Y106 HydrophobicContact CD1-CE1 3.81Å; I95-Y106 HydrophobicContact CD1-CE2 4.43Å
96T98.4Very high96.4Very high61 Ų6154.7 Ų54.737%0.37432%0.315SS..  trans-90.7156173.258.80000110.1T35 R81 T94 A98T35-T96 HydrophobicContact CG2-CG2 4.02Å; R81-T96 VanDerWaalsContact CB-O 3.26Å; R81-T96 WeakPolarHBondContact CB-O 3.26Å; R81-T96 PolarHBondContact O-N 3.09Å; R81-T96 PolarHBondContact O-OG1 3.02Å; T94-T96 HydrophobicContact CG2-CG2 4.01Å; T96-A98 VanDerWaalsContact C-N 3.3Å; T96-A98 PolarHBondContact O-N 3.03Å
97G98.1Very high96.3Very high32 Ų3255.3 Ų55.333%0.3332%0.315SS..SBendtrans56.743.3175.300000113.4G33 G34 Q99G33-G97 WeakPolarHBondContact O-CA 3.19Å; G34-G97 PolarHBondContact O-N 3.41Å; G97-Q99 WeakPolarHBondContact O-CG 3.46Å; G97-Q99 PolarHBondContact O-N 3.4Å
98A97.1Very high96.3Very high10 Ų1052 Ų528%0.08330%0.299CS..  trans-52.6135.3-172.400000112.4T30 G33 G34 T96T30-A98 HydrophobicContact CG2-CB 3.59Å; G33-A98 PolarHBondContact N-O 3.37Å; G34-A98 PolarHBondContact O-N 2.85Å; T96-A98 VanDerWaalsContact C-N 3.3Å; T96-A98 PolarHBondContact O-N 3.03Å
99Q96.3Very high96.2Very high92 Ų9251 Ų5143%0.4328%0.284SS..  trans-114.8164.7-176.3-56-172.2-0.100110.9G97 E101 D102G97-Q99 WeakPolarHBondContact O-CG 3.46Å; G97-Q99 PolarHBondContact O-N 3.4Å; Q99-E101 HydrophobicContact CB-CG 3.85Å; Q99-E101 PolarHBondContact O-N 3.34Å; Q99-E101 PolarHBondContact OE1-OE1 3.14Å; Q99-D102 PolarHBondContact N-OD2 2.93Å; Q99-D102 VanDerWaalsContact O-CB 3.32Å; Q99-D102 WeakPolarHBondContact O-CB 3.25Å; Q99-D102 PolarHBondContact O-N 2.98Å
100T93Very high96.1Very high129 Ų12948 Ų4879%0.79127%0.268SS*.G310 helixtrans-60.3-32.1178.3-50.90000112.4D102 D103T100-D102 PolarHBondContact O-N 3.48Å; T100-D103 WeakPolarHBondContact O-CB 3.46Å; T100-D103 PolarHBondContact O-N 3.29Å
101E91.9Very high95.9Very high125 Ų12551.9 Ų51.958%0.58428%0.281SS*.G310 helixtrans-70-12.9174.660.2-176.4-134.900114.2R81 Q99 D103R81-E101 IonicContact CZ-OE1 3.78Å; R81-E101 IonicContact NH1-OE1 3.59Å; R81-E101 IonicContact NH2-OE1 2.74Å; R81-E101 PolarHBondContact NH2-OE1 2.86Å; Q99-E101 HydrophobicContact CB-CG 3.85Å; Q99-E101 PolarHBondContact O-N 3.34Å; Q99-E101 PolarHBondContact OE1-OE1 3.14Å; E101-D103 VanDerWaalsContact C-N 3.32Å
102D93.7Very high95.3Very high14 Ų1455.5 Ų55.58%0.07530%0.295CS..G310 helixtrans-86.7-5.2177.3-57.6-32.6000111.9R81 F82 Q99 T100 A104 Y106R81-D102 IonicContact CZ-OD1 3.67Å; R81-D102 IonicContact CZ-OD2 3.6Å; R81-D102 IonicContact NE-OD1 3.04Å; R81-D102 PolarHBondContact NE-OD1 3.42Å; R81-D102 IonicContact NE-OD2 3.49Å; R81-D102 PolarHBondContact NE-OD2 2.85Å; R81-D102 IonicContact NH2-OD1 2.71Å; R81-D102 PolarHBondContact NH2-OD1 3.23Å; R81-D102 IonicContact NH2-OD2 3.58Å; F82-D102 VanDerWaalsContact CZ-OD1 3.26Å; F82-D102 WeakPolarHBondContact CZ-OD1 3.27Å; Q99-D102 PolarHBondContact N-OD2 2.93Å; Q99-D102 VanDerWaalsContact O-CB 3.32Å; Q99-D102 WeakPolarHBondContact O-CB 3.25Å; Q99-D102 PolarHBondContact O-N 2.98Å; T100-D102 PolarHBondContact O-N 3.48Å; D102-A104 PolarHBondContact O-N 2.65Å; D102-A104 VanDerWaalsContact O-N 3.15Å; D102-Y106 VanDerWaalsContact O-CE2 3.32Å; D102-Y106 WeakPolarHBondContact O-CE2 3.41Å; D102-Y106 PolarHBondContact O-OH 3.46Å
103D93.4Very high94.2Very high138 Ų13858.1 Ų58.174%0.73831%0.313SS*.  trans-73.1101.4172.5-169.14.3000109.9T100 E101T100-D103 WeakPolarHBondContact O-CB 3.46Å; T100-D103 PolarHBondContact O-N 3.29Å; E101-D103 VanDerWaalsContact C-N 3.32Å
104A93.9Very high92.6Very high25 Ų2562.6 Ų62.621%0.20734%0.341CS..SBendtrans-162.5170.3-167.300000111.5Q57 E58 D102 Y106Q57-A104 HydrophobicContact CG-CB 3.68Å; Q57-A104 VanDerWaalsContact NE2-CB 3.33Å; E58-A104 WeakPolarHBondContact O-CB 3.42Å; D102-A104 PolarHBondContact O-N 2.65Å; D102-A104 VanDerWaalsContact O-N 3.15Å; A104-Y106 HydrophobicContact CB-CE2 3.96Å; A104-Y106 VanDerWaalsContact O-CD2 3.29Å; A104-Y106 WeakPolarHBondContact O-CD2 3.42Å; A104-Y106 WeakPolarHBondContact O-CE2 3.45Å
105M95.8Very high90.3Very high98 Ų9870 Ų7048%0.48337%0.373SS..EExtended strand (participates in β ladder)trans-84.5134167.2-70.7-55.6-45.100110.1Q57 E58 F107Q57-M105 CarbonylContact C-O 3.29Å; Q57-M105 WeakPolarHBondContact CA-O 3.36Å; E58-M105 HydrophobicContact CB-CB 4.15Å; E58-M105 PolarHBondContact N-O 3.16Å; E58-M105 PolarHBondContact O-N 2.98Å; M105-F107 HydrophobicContact CB-CE2 3.77Å; M105-F107 HydrophobicContact CB-CZ 3.98Å; M105-F107 HydrophobicContact CE-CZ 4.31Å
106Y96.9Very high87.7Confident19 Ų1981.7 Ų81.78%0.07543%0.425CS..EExtended strand (participates in β ladder)trans-119.6139.3177.8-65.5-95.1000109.6Q24 L38 V56 Q57 L67 F82 L93 I95 D102 A104Q24-Y106 PolarHBondContact NE2-O 3.02Å; L38-Y106 HydrophobicContact CD2-CD2 4.14Å; L38-Y106 HydrophobicContact CD2-CG 3.87Å; V56-Y106 WeakPolarHBondContact O-CA 3.45Å; Q57-Y106 HydrophobicContact CB-CD1 4.16Å; Q57-Y106 HydrophobicContact CB-CE1 4.07Å; Q57-Y106 HydrophobicContact CG-CD1 4.16Å; Q57-Y106 HydrophobicContact CG-CE1 3.77Å; Q57-Y106 PolarHBondContact NE2-OH 2.92Å; Q57-Y106 VanDerWaalsContact NE2-OH 3.16Å; L67-Y106 HydrophobicContact CD1-CD1 3.74Å; L67-Y106 HydrophobicContact CD1-CE1 3.68Å; F82-Y106 HydrophobicContact CE1-CE1 4.08Å; L93-Y106 HydrophobicContact CD2-CD1 3.86Å; L93-Y106 HydrophobicContact CD2-CE1 4.31Å; I95-Y106 HydrophobicContact CD1-CE1 3.81Å; I95-Y106 HydrophobicContact CD1-CE2 4.43Å; D102-Y106 VanDerWaalsContact O-CE2 3.32Å; D102-Y106 WeakPolarHBondContact O-CE2 3.41Å; D102-Y106 PolarHBondContact O-OH 3.46Å; A104-Y106 HydrophobicContact CB-CE2 3.96Å; A104-Y106 VanDerWaalsContact O-CD2 3.29Å; A104-Y106 WeakPolarHBondContact O-CD2 3.42Å; A104-Y106 WeakPolarHBondContact O-CE2 3.45Å
107F96.5Very high87.2Confident75 Ų7582.7 Ų82.733%0.32943%0.427SS..EExtended strand (participates in β ladder)trans-131.3143178.7-54.5-87.5000110.8V56 E58 F64 M105V56-F107 HydrophobicContact CG2-CB 3.72Å; V56-F107 HydrophobicContact CG2-CD2 4.34Å; V56-F107 PolarHBondContact N-O 3.01Å; V56-F107 PolarHBondContact O-N 3.34Å; E58-F107 HydrophobicContact CB-CE2 3.91Å; E58-F107 WeakPolarHBondContact OE2-CE2 3.32Å; F64-F107 HydrophobicContact CE1-CD2 4.13Å; F64-F107 HydrophobicContact CE1-CE2 4.05Å; M105-F107 HydrophobicContact CB-CE2 3.77Å; M105-F107 HydrophobicContact CB-CZ 3.98Å; M105-F107 HydrophobicContact CE-CZ 4.31Å
108C96.2Very high86.6Confident14 Ų1485.4 Ų85.410%0.09543%0.432CS..EExtended strand (participates in β ladder)trans-106.5138.6167.869.40000111.5V22 Q24 C40 N54 W55V22-C108 WeakPolarHBondContact CG1-SG 3.46Å; Q24-C108 VanDerWaalsContact OE1-N 3.13Å; C40-C108 HydrophobicContact CB-CB 3.45Å; C40-C108 VanDerWaalsContact CB-CB 3.45Å; C40-C108 WeakPolarHBondContact CB-SG 3.47Å; C40-C108 WeakPolarHBondContact SG-CB 3.48Å; C40-C108 CovalentContact SG-SG 2.02Å; C40-C108 PolarHBondContact SG-SG 2.95Å; N54-C108 WeakPolarHBondContact O-CA 3.28Å; W55-C108 HydrophobicContact CD2-CB 4.22Å; W55-C108 HydrophobicContact CE3-CB 3.99Å; W55-C108 HydrophobicContact CH2-CB 4.1Å; W55-C108 HydrophobicContact CZ2-CB 4.31Å; W55-C108 HydrophobicContact CZ3-CB 3.93Å
109A94.8Very high86Confident53 Ų5389.6 Ų89.644%0.43845%0.452SS..EExtended strand (participates in β ladder)trans-122.9125.8172.200000109.4A53 N54A53-A109 CarbonylContact C-O 3.36Å; A53-A109 WeakPolarHBondContact CA-O 3.33Å; N54-A109 PolarHBondContact N-O 3.14Å; N54-A109 PolarHBondContact O-N 3.44Å
110L94.1Very high85.4Confident27 Ų2789.4 Ų89.414%0.14145%0.453CS..EExtended strand (participates in β ladder)trans-91.6129.9178.8-62.7-175.5000110.7V22 V47 Y52 A53 Y112V22-L110 HydrophobicContact CG1-CD1 4.36Å; V22-L110 HydrophobicContact CG1-CG 4.26Å; V22-L110 HydrophobicContact CG2-CB 4.36Å; V22-L110 HydrophobicContact CG2-CD1 3.96Å; V22-L110 HydrophobicContact CG2-CG 4.01Å; V47-L110 HydrophobicContact CG1-CD2 3.9Å; V47-L110 HydrophobicContact CG2-CD1 3.9Å; V47-L110 HydrophobicContact CG2-CD2 3.88Å; Y52-L110 WeakPolarHBondContact O-CA 3.42Å; A53-L110 HydrophobicContact CB-CD2 3.63Å; L110-Y112 HydrophobicContact CB-CE2 3.99Å; L110-Y112 WeakPolarHBondContact CD1-OH 3.2Å
111W91.8Very high84.9Confident153 Ų15386.9 Ų86.958%0.5843%0.432SS*.EExtended strand (participates in β ladder)trans-100.3123.8167.5-173.8-88.3000108.8N51 Y52N51-W111 CarbonylContact C-O 3.5Å; N51-W111 VanDerWaalsContact CA-O 3.26Å; N51-W111 WeakPolarHBondContact CA-O 3.42Å; Y52-W111 HydrophobicContact CD2-CB 4.11Å; Y52-W111 HydrophobicContact CE1-CB 4.46Å; Y52-W111 AromaticContact CE1-CD1 3.92Å; Y52-W111 HydrophobicContact CE1-CG 4.45Å; Y52-W111 HydrophobicContact CE2-CB 3.72Å; Y52-W111 HydrophobicContact CE2-CG 4.2Å; Y52-W111 AromaticContact CZ-CD1 3.74Å; Y52-W111 AromaticContact CZ-CG 3.92Å; Y52-W111 PolarHBondContact N-O 2.93Å; Y52-W111 VanDerWaalsContact N-O 3.07Å; Y52-W111 PolarHBondContact O-N 3.5Å
112Y86.6Confident84.5Confident77 Ų7784.4 Ų84.430%0.30242%0.422SS..EExtended strand (participates in β ladder)trans-98116.6173.8-61.3-86.6000108.5A20 S42 N51 L110 T114A20-Y112 HydrophobicContact CB-CE2 4.37Å; S42-Y112 VanDerWaalsContact CB-OH 3.25Å; S42-Y112 WeakPolarHBondContact CB-OH 3.43Å; S42-Y112 PolarHBondContact OG-OH 3.3Å; N51-Y112 HydrophobicContact CB-CD1 4.19Å; N51-Y112 WeakPolarHBondContact OD1-CA 3.43Å; L110-Y112 HydrophobicContact CB-CE2 3.99Å; L110-Y112 WeakPolarHBondContact CD1-OH 3.2Å; Y112-T114 PolarHBondContact O-N 3.48Å
113S73.4Confident83.8Confident54 Ų5489.4 Ų89.438%0.37845%0.446SS..  trans-72.8101166.5-176.70000107.2S50 N51 H115S50-S113 WeakPolarHBondContact O-CB 3.47Å; S50-S113 PolarHBondContact O-N 2.82Å; N51-S113 PolarHBondContact OD1-N 3.07Å; N51-S113 VanDerWaalsContact OD1-N 3.12Å; S113-H115 PolarHBondContact O-N 2.94Å
114T65.6Low83.1Confident94 Ų9485.7 Ų85.758%0.57742%0.424SS*.  trans-63.4104.8170.851.70000108.4Y112 F116Y112-T114 PolarHBondContact O-N 3.48Å; T114-F116 HydrophobicContact CG2-CE2 3.96Å; T114-F116 HydrophobicContact CG2-CZ 4.25Å; T114-F116 PolarHBondContact O-N 3.42Å; T114-F116 WeakPolarHBondContact OG1-CE2 3.38Å
115H50.3Low82.2Confident177 Ų17790.8 Ų90.882%0.81944%0.442SS*.  trans-78.497.2152.7-88-54.6000106.4S113S113-H115 PolarHBondContact O-N 2.94Å
116F44Very low80.9Confident248 Ų24890.1 Ų90.1100%1.08844%0.438SS*.  trans-76.10152.2-64.6-77000108.6T114T114-F116 HydrophobicContact CG2-CE2 3.96Å; T114-F116 HydrophobicContact CG2-CZ 4.25Å; T114-F116 PolarHBondContact O-N 3.42Å; T114-F116 WeakPolarHBondContact OG1-CE2 3.38Å

Retrieved 116 of 116 residues in 103.6 ms (Link to these results)