Q99NM1_RAT Loading...

Recombination activating protein 2

AlphaFold DB , UniProt , Accession Q99NM1, Species RAT (Rattus norvegicus, Rat), Gene Rag2, Length 148 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
1K89.3Confident95.8Very high144 Ų14490.5 Ų90.563%0.62647%0.466SS*.  0145.70-66.5-177170.6-163.70108.8Y3 E21K1-Y3 HydrophobicContact CB-CE2 4.39Å; K1-E21 HydrophobicContact CD-CG 4.24Å; K1-E21 VanDerWaalsContact CD-OE1 3.28Å; K1-E21 WeakPolarHBondContact CD-OE1 3.24Å; K1-E21 WeakPolarHBondContact CE-OE1 3.23Å; K1-E21 IonicContact NZ-OE1 3.52Å; K1-E21 PolarHBondContact NZ-OE1 2.78Å; K1-E21 IonicContact NZ-OE2 3.4Å
2I94.3Very high95.8Very high31 Ų3195.8 Ų95.816%0.15950%0.495CS..EExtended strand (participates in β ladder)trans-117.7145.1169.6-66.1-165.3000108.6K22 L24 V80 F82I2-K22 PolarHBondContact N-O 3.05Å; I2-K22 PolarHBondContact O-N 2.85Å; I2-L24 HydrophobicContact CD1-CD1 4.01Å; I2-L24 HydrophobicContact CD1-CD2 3.78Å; I2-L24 HydrophobicContact CD1-CG 4.26Å; I2-L24 HydrophobicContact CG1-CD1 3.86Å; I2-L24 HydrophobicContact CG1-CD2 3.98Å; I2-L24 HydrophobicContact CG1-CG 4Å; I2-V80 HydrophobicContact CD1-CG1 3.66Å; I2-F82 HydrophobicContact CD1-CD1 4.21Å; I2-F82 HydrophobicContact CD1-CE1 3.79Å; I2-F82 HydrophobicContact CG2-CE1 4.47Å
3Y95.9Very high95.7Very high124 Ų124103.2 Ų103.249%0.48652%0.522SS..EExtended strand (participates in β ladder)trans-115.3115.7176.9-67.6-72.2000109K1 C19 E21K1-Y3 HydrophobicContact CB-CE2 4.39Å; Y3-C19 VanDerWaalsContact CD1-SG 3.6Å; Y3-E21 HydrophobicContact CD1-CB 4.06Å; Y3-E21 HydrophobicContact CD1-CG 4.29Å; Y3-E21 HydrophobicContact CE1-CB 3.72Å; Y3-E21 HydrophobicContact CE1-CG 3.67Å; Y3-E21 WeakPolarHBondContact CE1-OE2 3.41Å; Y3-E21 PolarHBondContact OH-OE2 3.45Å; Y3-E21 VanDerWaalsContact OH-OE2 3.13Å
4I95.1Very high95.9Very high68 Ų68107.4 Ų107.435%0.34954%0.535SS..EExtended strand (participates in β ladder)trans-89.7109.9176.5-57.8175.4000107.6C19 T20 K22I4-C19 WeakPolarHBondContact O-CA 3.29Å; I4-T20 PolarHBondContact N-O 3.18Å; I4-T20 PolarHBondContact O-N 2.95Å; I4-K22 HydrophobicContact CD1-CD 4.01Å
5M97.2Very high96Very high121 Ų121104.1 Ų104.160%0.59652%0.522SS*.EExtended strand (participates in β ladder)trans-94125.8177.3-67.1-60.5-64.800110.1F17 C19M5-F17 HydrophobicContact CE-CB 4.29Å; M5-C19 HydrophobicContact CE-CB 4.31Å; M5-C19 HydrophobicContact SD-CB 3.38Å; M5-C19 WeakPolarHBondContact SD-CB 3.24Å; M5-C19 PolarHBondContact SD-SG 2.95Å
6S97.1Very high96.1Very high44 Ų44101.8 Ų101.831%0.30852%0.515SS..EExtended strand (participates in β ladder)trans-139.4158.7178.660.80000111.8F17 R18S6-F17 CarbonylContact O-C 3.58Å; S6-F17 WeakPolarHBondContact O-CA 3.35Å; S6-R18 PolarHBondContact N-O 2.9Å; S6-R18 PolarHBondContact O-N 2.9Å; S6-R18 PolarHBondContact OG-O 2.77Å
7V97.8Very high96.3Very high87 Ų87103.4 Ų103.453%0.52752%0.518SS..EExtended strand (participates in β ladder)trans-81.9118.41701760000108.4V15 F17V7-V15 HydrophobicContact CG1-CG1 3.83Å; V7-V15 HydrophobicContact CG2-CG1 4.15Å; V7-F17 HydrophobicContact CG2-CD1 4.18Å; V7-F17 HydrophobicContact CG2-CE1 3.82Å
8A97.4Very high96.4Very high39 Ų39105.5 Ų105.532%0.32252%0.519SS..EExtended strand (participates in β ladder)trans-80.9-46.117900000111.7T16 R18A8-T16 HydrophobicContact CB-CG2 4.38Å; A8-T16 WeakPolarHBondContact CB-O 3.44Å; A8-T16 PolarHBondContact N-O 3.42Å; A8-R18 HydrophobicContact CB-CB 4.07Å
9C96.6Very high96.4Very high70 Ų70103.6 Ų103.647%0.47352%0.516SS..EExtended strand (participates in β ladder)trans-159.4162.9174.466.50000111.7T16C9-T16 PolarHBondContact N-O 2.93Å; C9-T16 PolarHBondContact O-N 2.82Å
10K97.2Very high96.4Very high157 Ų157101.9 Ų101.968%0.68351%0.512SS*.EExtended strand (participates in β ladder)trans-135.2120.3175.2-177.9178.5-179.2-1790109.4K14 V15K10-K14 WeakPolarHBondContact CA-O 3.3Å; K10-V15 HydrophobicContact CD-CG2 4.45Å; K10-V15 HydrophobicContact CG-CG2 4.18Å
11N96.4Very high96.4Very high111 Ų111101.2 Ų101.259%0.59451%0.507SS*.EExtended strand (participates in β ladder)trans-132.3124.8177.2-173.71.6000109.6K13 K14N11-K13 VanDerWaalsContact C-N 3.29Å; N11-K13 PolarHBondContact O-N 2.87Å; N11-K14 PolarHBondContact N-O 3.11Å; N11-K14 WeakPolarHBondContact O-CA 3.34Å; N11-K14 VanDerWaalsContact O-CB 3.25Å; N11-K14 WeakPolarHBondContact O-CB 3.5Å; N11-K14 PolarHBondContact O-N 3.16Å
12N95.4Very high96.7Very high153 Ų15397 Ų9782%0.81849%0.489SS*.THydrogen-bonded Turntrans4648.5179.6-67.6-22.2000114K14N12-K14 PolarHBondContact O-N 3.49Å
13K94.6Very high96.7Very high193 Ų193100.6 Ų100.684%0.83951%0.508SS*.THydrogen-bonded Turntrans65-4.6-174.9-54.4178.4179.2177.50116N11N11-K13 VanDerWaalsContact C-N 3.29Å; N11-K13 PolarHBondContact O-N 2.87Å
14K97.7Very high96.7Very high162 Ų16296 Ų9670%0.70449%0.492SS*.EExtended strand (participates in β ladder)trans-77122.4167.5-173.7176.9179.1176.90109.4K10 N11 N12K10-K14 WeakPolarHBondContact CA-O 3.3Å; N11-K14 PolarHBondContact N-O 3.11Å; N11-K14 WeakPolarHBondContact O-CA 3.34Å; N11-K14 VanDerWaalsContact O-CB 3.25Å; N11-K14 WeakPolarHBondContact O-CB 3.5Å; N11-K14 PolarHBondContact O-N 3.16Å; N12-K14 PolarHBondContact O-N 3.49Å
15V97.9Very high96.8Very high58 Ų5896.6 Ų96.635%0.35250%0.499SS..EExtended strand (participates in β ladder)trans-106.2130.9179.6-177.10000109V7 K10 F17V7-V15 HydrophobicContact CG1-CG1 3.83Å; V7-V15 HydrophobicContact CG2-CG1 4.15Å; K10-V15 HydrophobicContact CD-CG2 4.45Å; K10-V15 HydrophobicContact CG-CG2 4.18Å; V15-F17 HydrophobicContact CB-CE2 4.28Å; V15-F17 HydrophobicContact CG1-CD2 4.24Å; V15-F17 HydrophobicContact CG1-CE1 4.22Å; V15-F17 HydrophobicContact CG1-CE2 3.78Å; V15-F17 HydrophobicContact CG1-CZ 3.78Å
16T98.1Very high96.8Very high67 Ų6794 Ų9441%0.41150%0.502SS..EExtended strand (participates in β ladder)trans-106.6127.9170.1-57.40000108.4A8 C9A8-T16 HydrophobicContact CB-CG2 4.38Å; A8-T16 WeakPolarHBondContact CB-O 3.44Å; A8-T16 PolarHBondContact N-O 3.42Å; C9-T16 PolarHBondContact N-O 2.93Å; C9-T16 PolarHBondContact O-N 2.82Å
17F98.3Very high96.9Very high129 Ų12995.5 Ų95.557%0.56651%0.507SS*.EExtended strand (participates in β ladder)trans-96.6154.8176.6-67.7-85.1000111.3M5 S6 V7 V15M5-F17 HydrophobicContact CE-CB 4.29Å; S6-F17 CarbonylContact O-C 3.58Å; S6-F17 WeakPolarHBondContact O-CA 3.35Å; V7-F17 HydrophobicContact CG2-CD1 4.18Å; V7-F17 HydrophobicContact CG2-CE1 3.82Å; V15-F17 HydrophobicContact CB-CE2 4.28Å; V15-F17 HydrophobicContact CG1-CD2 4.24Å; V15-F17 HydrophobicContact CG1-CE1 4.22Å; V15-F17 HydrophobicContact CG1-CE2 3.78Å; V15-F17 HydrophobicContact CG1-CZ 3.78Å
18R98.2Very high96.9Very high141 Ų14194.7 Ų94.753%0.53250%0.502SS..EExtended strand (participates in β ladder)trans-120.7125.6167.2178.5-174.3-62.4130.1-1.8108.2S6 A8S6-R18 PolarHBondContact N-O 2.9Å; S6-R18 PolarHBondContact O-N 2.9Å; S6-R18 PolarHBondContact OG-O 2.77Å; A8-R18 HydrophobicContact CB-CB 4.07Å
19C97.6Very high96.9Very high69 Ų6993.9 Ų93.947%0.46649%0.494SS..EExtended strand (participates in β ladder)trans-104.6123.1168.2-175.70000107.8Y3 I4 M5Y3-C19 VanDerWaalsContact CD1-SG 3.6Å; I4-C19 WeakPolarHBondContact O-CA 3.29Å; M5-C19 HydrophobicContact CE-CB 4.31Å; M5-C19 HydrophobicContact SD-CB 3.38Å; M5-C19 WeakPolarHBondContact SD-CB 3.24Å; M5-C19 PolarHBondContact SD-SG 2.95Å
20T96.1Very high96.9Very high70 Ų7094.7 Ų94.743%0.42949%0.49SS..EExtended strand (participates in β ladder)trans-112.9120.6172.9-59.30000108.5I4I4-T20 PolarHBondContact N-O 3.18Å; I4-T20 PolarHBondContact O-N 2.95Å
21E96.2Very high96.9Very high88 Ų8891.7 Ų91.741%0.41150%0.495SS..EExtended strand (participates in β ladder)trans-71.5133.1170.2-173.8172.8132.100109.5K1 Y3K1-E21 HydrophobicContact CD-CG 4.24Å; K1-E21 VanDerWaalsContact CD-OE1 3.28Å; K1-E21 WeakPolarHBondContact CD-OE1 3.24Å; K1-E21 WeakPolarHBondContact CE-OE1 3.23Å; K1-E21 IonicContact NZ-OE1 3.52Å; K1-E21 PolarHBondContact NZ-OE1 2.78Å; K1-E21 IonicContact NZ-OE2 3.4Å; Y3-E21 HydrophobicContact CD1-CB 4.06Å; Y3-E21 HydrophobicContact CD1-CG 4.29Å; Y3-E21 HydrophobicContact CE1-CB 3.72Å; Y3-E21 HydrophobicContact CE1-CG 3.67Å; Y3-E21 WeakPolarHBondContact CE1-OE2 3.41Å; Y3-E21 PolarHBondContact OH-OE2 3.45Å; Y3-E21 VanDerWaalsContact OH-OE2 3.13Å
22K94.8Very high97Very high54 Ų5488.1 Ų88.124%0.23547%0.473CS..EExtended strand (participates in β ladder)trans-127.2125.3174.3-168.6161.1-171.3153.60109.7I2 I4 F82 E83I2-K22 PolarHBondContact N-O 3.05Å; I2-K22 PolarHBondContact O-N 2.85Å; I4-K22 HydrophobicContact CD1-CD 4.01Å; K22-F82 WeakPolarHBondContact CE-O 3.4Å; K22-F82 PolarHBondContact NZ-O 3.11Å; K22-E83 PolarHBondContact NZ-O 2.97Å
23D94.9Very high97.1Very high107 Ų10785.8 Ų85.857%0.57245%0.454SS*.  trans-72.4150172.4-70.8-44.9000110.8
24L96.8Very high97.3Very high28 Ų2877.7 Ų77.715%0.14743%0.425CS..  trans-105.8142173.6-68.6-179.8000109.3I2 V28 V80 G85I2-L24 HydrophobicContact CD1-CD1 4.01Å; I2-L24 HydrophobicContact CD1-CD2 3.78Å; I2-L24 HydrophobicContact CD1-CG 4.26Å; I2-L24 HydrophobicContact CG1-CD1 3.86Å; I2-L24 HydrophobicContact CG1-CD2 3.98Å; I2-L24 HydrophobicContact CG1-CG 4Å; L24-V28 HydrophobicContact CB-CG1 3.98Å; L24-V28 HydrophobicContact CB-CG2 3.85Å; L24-V28 HydrophobicContact CD1-CG1 4.29Å; L24-V28 WeakPolarHBondContact O-CG2 3.46Å; L24-V80 HydrophobicContact CD2-CG1 3.69Å; L24-G85 CarbonylContact C-O 3.49Å; L24-G85 VanDerWaalsContact CA-O 3.27Å; L24-G85 WeakPolarHBondContact CA-O 3.32Å; L24-G85 WeakPolarHBondContact CD2-O 3.37Å
25V97.2Very high97.4Very high81 Ų8173.5 Ų73.549%0.49141%0.408SS..EExtended strand (participates in β ladder)trans-127.4160.5176-61.40000110.2G85 A87V25-G85 PolarHBondContact N-O 2.83Å; V25-A87 PolarHBondContact O-N 3.19Å
26G97.1Very high97.4Very high65 Ų6571.4 Ų71.467%0.6740%0.396SS*.EExtended strand (participates in β ladder)trans89.5-136.9-175.900000112.3V28G26-V28 PolarHBondContact O-N 3.16Å
27D97.8Very high97.4Very high76 Ų7671.8 Ų71.841%0.40640%0.395SS..SBendtrans-80.469.6-179.2-62.7-18.7000110.4F78 A87 S89D27-F78 VanDerWaalsContact O-CD1 3.25Å; D27-F78 WeakPolarHBondContact O-CD1 3.46Å; D27-F78 VanDerWaalsContact O-CE1 3.26Å; D27-F78 WeakPolarHBondContact O-CE1 3.44Å; D27-A87 PolarHBondContact N-O 2.86Å; D27-A87 WeakPolarHBondContact O-CB 3.46Å; D27-S89 PolarHBondContact OD2-N 2.91Å; D27-S89 PolarHBondContact OD2-OG 3.22Å
28V97.8Very high97.5Very high71 Ų7167 Ų6743%0.4338%0.375SS..PPolyproline II helixtrans-69.2125.6-175.4-175.10000110L24 G26L24-V28 HydrophobicContact CB-CG1 3.98Å; L24-V28 HydrophobicContact CB-CG2 3.85Å; L24-V28 HydrophobicContact CD1-CG1 4.29Å; L24-V28 WeakPolarHBondContact O-CG2 3.46Å; G26-V28 PolarHBondContact O-N 3.16Å
29P97.4Very high97.5Very high21 Ų2162.9 Ų62.914%0.13637%0.365CS..PPolyproline II helixtrans-65.2145.1175.326.7-33.7000110.8L50 F78P29-L50 HydrophobicContact CB-CD2 4.33Å; P29-L50 HydrophobicContact CG-CD1 4.37Å; P29-L50 HydrophobicContact CG-CD2 4.34Å; P29-F78 HydrophobicContact CB-CD1 4.04Å; P29-F78 HydrophobicContact CB-CD2 4.08Å; P29-F78 HydrophobicContact CB-CE1 3.81Å; P29-F78 HydrophobicContact CB-CE2 3.86Å; P29-F78 HydrophobicContact CB-CG 4.17Å; P29-F78 HydrophobicContact CB-CZ 3.72Å; P29-F78 HydrophobicContact CG-CD1 4.25Å; P29-F78 HydrophobicContact CG-CE1 4.44Å; P29-F78 HydrophobicContact CG-CG 4.35Å
30E97.1Very high97.5Very high87 Ų8759.6 Ų59.641%0.40734%0.343SS..PPolyproline II helixtrans-59.4156.7172.782.1-166.713100111.6R32 S55 C73E30-R32 WeakPolarHBondContact O-CG 3.29Å; E30-R32 PolarHBondContact O-N 2.81Å; E30-R32 PolarHBondContact O-NE 2.94Å; E30-R32 VanDerWaalsContact O-NE 3.16Å; E30-R32 IonicContact OE1-NH2 2.82Å; E30-R32 PolarHBondContact OE1-NH2 3.09Å; E30-S55 PolarHBondContact OE1-OG 2.86Å; E30-S55 PolarHBondContact OE2-OG 2.8Å; E30-C73 PolarHBondContact OE1-SG 2.97Å
31A97.4Very high97.6Very high95 Ų9563.1 Ų63.179%0.78535%0.35SS*.SBendtrans-61.2122.3175.900000111.1S55A31-S55 WeakPolarHBondContact O-CB 3.45Å
32R98.3Very high97.7Very high35 Ų3559.3 Ų59.313%0.13233%0.333CS..  trans-149.2160.8-170.862.1-178.371.3-163.7-4.2112.5E30 H35 G52 R54 C73E30-R32 WeakPolarHBondContact O-CG 3.29Å; E30-R32 PolarHBondContact O-N 2.81Å; E30-R32 PolarHBondContact O-NE 2.94Å; E30-R32 VanDerWaalsContact O-NE 3.16Å; E30-R32 IonicContact OE1-NH2 2.82Å; E30-R32 PolarHBondContact OE1-NH2 3.09Å; R32-H35 HydrophobicContact CG-CB 4.4Å; R32-H35 PolarHBondContact O-CE1 2.81Å; R32-H35 VanDerWaalsContact O-CE1 3.28Å; R32-H35 PolarHBondContact O-ND1 2.85Å; R32-G52 WeakPolarHBondContact CD-O 3.42Å; R32-G52 PolarHBondContact NH1-O 2.83Å; R32-R54 CarbonylContact C-O 3.6Å; R32-R54 WeakPolarHBondContact CA-O 3.42Å; R32-R54 VanDerWaalsContact CB-O 3.29Å; R32-R54 WeakPolarHBondContact CB-O 3.41Å; R32-C73 VanDerWaalsContact CZ-CB 3.41Å
33Y98.8Very high97.7Very high105 Ų10565.5 Ų65.541%0.41236%0.355SS..EExtended strand (participates in β ladder)trans-134.8162.717772.8-77.4000110.9H35 G53 R54 V70 F101Y33-H35 PolarHBondContact O-N 2.84Å; Y33-G53 CarbonylContact O-C 3.46Å; Y33-G53 VanDerWaalsContact O-CA 3.23Å; Y33-G53 WeakPolarHBondContact O-CA 3.32Å; Y33-R54 HydrophobicContact CD1-CB 4.41Å; Y33-R54 VanDerWaalsContact CD1-O 3.27Å; Y33-R54 WeakPolarHBondContact CD1-O 3.29Å; Y33-R54 HydrophobicContact CE1-CB 3.88Å; Y33-R54 PolarHBondContact N-O 2.84Å; Y33-R54 PolarHBondContact O-N 2.86Å; Y33-V70 HydrophobicContact CE1-CG1 4.21Å; Y33-F101 HydrophobicContact CD2-CE1 4.46Å; Y33-F101 HydrophobicContact CD2-CZ 4.21Å; Y33-F101 HydrophobicContact CE2-CE1 4.48Å; Y33-F101 AromaticContact CE2-CZ 3.82Å; Y33-F101 HydrophobicContact CE2-CZ 3.82Å
34G98.6Very high97.7Very high23 Ų2364.5 Ų64.524%0.23737%0.37CS..EExtended strand (participates in β ladder)trans67.517.9-175.500000114.1F101G34-F101 PolarHBondContact O-N 2.83Å
35H98.8Very high97.6Very high73 Ų7367.4 Ų67.434%0.33838%0.381SS..EExtended strand (participates in β ladder)trans-88.4168.916964.2-83.6000110R32 Y33 F51 G52R32-H35 HydrophobicContact CG-CB 4.4Å; R32-H35 PolarHBondContact O-CE1 2.81Å; R32-H35 VanDerWaalsContact O-CE1 3.28Å; R32-H35 PolarHBondContact O-ND1 2.85Å; Y33-H35 PolarHBondContact O-N 2.84Å; H35-F51 WeakPolarHBondContact CB-O 3.25Å; H35-G52 VanDerWaalsContact CB-O 3.29Å; H35-G52 WeakPolarHBondContact CB-O 3.22Å
36S98.8Very high97.6Very high15 Ų1566.6 Ų66.611%0.10538%0.38CS..EExtended strand (participates in β ladder)trans-117.1156.8169.865.60000111.4L50 F51 H102 S104S36-L50 WeakPolarHBondContact O-CA 3.44Å; S36-F51 PolarHBondContact N-O 3.16Å; S36-F51 VanDerWaalsContact N-O 3.11Å; S36-F51 PolarHBondContact O-N 2.69Å; S36-F51 VanDerWaalsContact O-N 3.09Å; S36-H102 WeakPolarHBondContact CB-NE2 3.47Å; S36-H102 PolarHBondContact OG-CD2 3Å; S36-H102 PolarHBondContact OG-NE2 2.75Å; S36-S104 VanDerWaalsContact CB-OG 3.23Å; S36-S104 WeakPolarHBondContact CB-OG 3.36Å; S36-S104 WeakPolarHBondContact OG-CB 3.23Å
37I98.5Very high97.6Very high75 Ų7564 Ų6439%0.38535%0.351SS..EExtended strand (participates in β ladder)trans-140.2129.9168.5-170.2170.4000109.3V49 L50 F82I37-V49 VanDerWaalsContact CA-O 3.31Å; I37-V49 WeakPolarHBondContact CA-O 3.36Å; I37-L50 HydrophobicContact CB-CB 4.36Å; I37-L50 HydrophobicContact CD1-CB 4.24Å; I37-L50 HydrophobicContact CD1-CD1 4.41Å; I37-L50 HydrophobicContact CG1-CB 4.13Å; I37-F82 HydrophobicContact CD1-CE1 4.23Å; I37-F82 HydrophobicContact CD1-CZ 4.02Å
38D98.7Very high97.6Very high27 Ų2760.4 Ų60.414%0.14433%0.331CS..EExtended strand (participates in β ladder)trans-126.1151.9-179.8-86.7-66.9000110.8G48 V49 S104 A106 I111D38-G48 CarbonylContact O-C 3.3Å; D38-G48 WeakPolarHBondContact O-CA 3.3Å; D38-V49 PolarHBondContact N-O 3.18Å; D38-V49 PolarHBondContact O-N 2.83Å; D38-S104 WeakPolarHBondContact OD2-CB 3.31Å; D38-S104 PolarHBondContact OD2-OG 2.94Å; D38-A106 HydrophobicContact CB-CB 4Å; D38-I111 HydrophobicContact CB-CG2 3.83Å
39V98.4Very high97.6Very high55 Ų5557.1 Ų57.133%0.33331%0.311SS..EExtended strand (participates in β ladder)trans-100.7125.6173.2-173.80000109.4Y41 F82V39-Y41 HydrophobicContact CG1-CE2 4.05Å; V39-F82 HydrophobicContact CG2-CE2 3.98Å
40V98.4Very high97.7Very high0 Ų056.7 Ų56.70%031%0.308CS..EExtended strand (participates in β ladder)trans-111.9155.1174-61.90000111.2S46 V47 V49 N108 I111 V133V40-S46 WeakPolarHBondContact O-CA 2.91Å; V40-V47 HydrophobicContact CG2-CG1 3.58Å; V40-V47 PolarHBondContact N-O 3.07Å; V40-V47 PolarHBondContact O-N 2.84Å; V40-V47 VanDerWaalsContact O-N 3.09Å; V40-V49 HydrophobicContact CB-CG2 4.47Å; V40-V49 HydrophobicContact CG1-CG2 4.01Å; V40-V49 HydrophobicContact CG2-CG2 3.65Å; V40-N108 CarbonylContact C-O 3.54Å; V40-N108 VanDerWaalsContact CA-O 3.24Å; V40-N108 WeakPolarHBondContact CA-O 3.24Å; V40-N108 VanDerWaalsContact CB-O 3.29Å; V40-N108 WeakPolarHBondContact CB-O 3.17Å; V40-I111 HydrophobicContact CG1-CG2 3.37Å; V40-V133 HydrophobicContact CG2-CB 4.03Å; V40-V133 HydrophobicContact CG2-CG1 4.25Å; V40-V133 HydrophobicContact CG2-CG2 4.27Å
41Y97.9Very high97.8Very high144 Ų14452.7 Ų52.757%0.56529%0.289SS*.EExtended strand (participates in β ladder)trans-125.8123.4-179-59-92.4000110V39 K45 N108 D109V39-Y41 HydrophobicContact CG1-CE2 4.05Å; Y41-K45 CarbonylContact C-O 3.54Å; Y41-K45 VanDerWaalsContact CA-O 3.3Å; Y41-K45 WeakPolarHBondContact CA-O 3.37Å; Y41-N108 PolarHBondContact N-O 3.13Å; Y41-N108 CarbonylContact O-C 3.57Å; Y41-N108 VanDerWaalsContact O-C 3.3Å; Y41-D109 WeakPolarHBondContact O-CA 3.29Å; Y41-D109 WeakPolarHBondContact O-CB 3.44Å; Y41-D109 PolarHBondContact O-N 3.28Å
42S97.3Very high97.8Very high8 Ų848.1 Ų48.16%0.05625%0.252CS..EExtended strand (participates in β ladder)trans-140.5129.4177.3-177.10000110.1G44 K45 D134 L135S42-G44 PolarHBondContact O-N 2.92Å; S42-G44 VanDerWaalsContact O-N 3.11Å; S42-K45 PolarHBondContact N-O 2.82Å; S42-K45 PolarHBondContact O-N 2.95Å; S42-D134 PolarHBondContact OG-OD1 3.05Å; S42-L135 PolarHBondContact OG-N 3.46Å
43R95.5Very high97.9Very high184 Ų18446.5 Ų46.569%0.69425%0.245SC*.THydrogen-bonded Turntrans50.537.1177.9-54.2178-172.5-1065.9114.4K45 D134R43-K45 VanDerWaalsContact C-N 3.27Å; R43-K45 PolarHBondContact O-N 2.89Å; R43-D134 IonicContact CZ-OD1 3.59Å; R43-D134 IonicContact CZ-OD2 3.58Å; R43-D134 IonicContact NE-OD1 2.77Å; R43-D134 PolarHBondContact NE-OD1 2.85Å; R43-D134 IonicContact NE-OD2 3.45Å; R43-D134 PolarHBondContact NE-OD2 2.55Å; R43-D134 IonicContact NH2-OD1 3.52Å; R43-D134 IonicContact NH2-OD2 2.85Å; R43-D134 PolarHBondContact NH2-OD2 3.38Å
44G94.3Very high97.9Very high87 Ų8742.4 Ų42.490%0.89723%0.229SC*.THydrogen-bonded Turntrans79.61.5-179.500000115.2S42S42-G44 PolarHBondContact O-N 2.92Å; S42-G44 VanDerWaalsContact O-N 3.11Å
45K95.7Very high97.8Very high88 Ų8841.8 Ų41.838%0.38322%0.221SC..EExtended strand (participates in β ladder)trans-103.4157.9172.9-59.7-178.9-179.6-176.70110.4Y41 S42 R43 L135 P136Y41-K45 CarbonylContact C-O 3.54Å; Y41-K45 VanDerWaalsContact CA-O 3.3Å; Y41-K45 WeakPolarHBondContact CA-O 3.37Å; S42-K45 PolarHBondContact N-O 2.82Å; S42-K45 PolarHBondContact O-N 2.95Å; R43-K45 VanDerWaalsContact C-N 3.27Å; R43-K45 PolarHBondContact O-N 2.89Å; K45-L135 HydrophobicContact CB-CB 4.22Å; K45-L135 HydrophobicContact CB-CD1 3.8Å; K45-L135 HydrophobicContact CD-CB 4.2Å; K45-P136 PolarHBondContact NZ-O 3.01Å
46S96.3Very high97.8Very high65 Ų6543.7 Ų43.746%0.45523%0.226SC..EExtended strand (participates in β ladder)trans-130.3146.1176.864.20000111.6V40V40-S46 WeakPolarHBondContact O-CA 2.91Å
47V97.6Very high97.7Very high11 Ų1145.3 Ų45.37%0.06723%0.233CC..EExtended strand (participates in β ladder)trans-145.8149.2176.673.80000109.9V40 V49 L79 V80 V133 L135V40-V47 HydrophobicContact CG2-CG1 3.58Å; V40-V47 PolarHBondContact N-O 3.07Å; V40-V47 PolarHBondContact O-N 2.84Å; V40-V47 VanDerWaalsContact O-N 3.09Å; V47-V49 HydrophobicContact CG1-CG2 4.46Å; V47-L79 HydrophobicContact CG1-CD2 4.24Å; V47-L79 HydrophobicContact CG2-CB 4.06Å; V47-V80 VanDerWaalsContact CG2-O 3.29Å; V47-V80 WeakPolarHBondContact CG2-O 3.43Å; V47-V133 HydrophobicContact CG1-CG1 4.13Å; V47-L135 HydrophobicContact CB-CD1 4.15Å; V47-L135 HydrophobicContact CG1-CD1 3.97Å; V47-L135 HydrophobicContact CG1-CD2 4.15Å
48G98.2Very high97.6Very high0 Ų044.7 Ų44.70%023%0.234CC..EExtended strand (participates in β ladder)trans-78.6137.516800000110.9D38 L79 V80D38-G48 CarbonylContact O-C 3.3Å; D38-G48 WeakPolarHBondContact O-CA 3.3Å; G48-L79 CarbonylContact O-C 3.57Å; G48-L79 WeakPolarHBondContact O-CA 3.27Å; G48-V80 PolarHBondContact N-O 3.09Å; G48-V80 PolarHBondContact O-N 2.81Å
49V98.7Very high97.4Very high1 Ų148.7 Ų48.71%0.00626%0.264CS..EExtended strand (participates in β ladder)trans-116113.3172.9-169.30000107.8I37 D38 V40 V47 V77 F78 L79 I111 V133I37-V49 VanDerWaalsContact CA-O 3.31Å; I37-V49 WeakPolarHBondContact CA-O 3.36Å; D38-V49 PolarHBondContact N-O 3.18Å; D38-V49 PolarHBondContact O-N 2.83Å; V40-V49 HydrophobicContact CB-CG2 4.47Å; V40-V49 HydrophobicContact CG1-CG2 4.01Å; V40-V49 HydrophobicContact CG2-CG2 3.65Å; V47-V49 HydrophobicContact CG1-CG2 4.46Å; V49-V77 HydrophobicContact CG1-CG1 3.53Å; V49-F78 WeakPolarHBondContact CA-O 3.25Å; V49-L79 HydrophobicContact CG1-CD2 4.32Å; V49-L79 HydrophobicContact CG2-CD2 3.9Å; V49-I111 HydrophobicContact CB-CD1 4Å; V49-I111 HydrophobicContact CG1-CD1 3.44Å; V49-I111 VanDerWaalsContact CG1-CD1 3.44Å; V49-V133 HydrophobicContact CG2-CG2 4Å
50L98.8Very high97.2Very high13 Ų1352.1 Ų52.17%0.06829%0.285CS..EExtended strand (participates in β ladder)trans-107.9133.8179.8176.6155.5000110.1P29 S36 I37 F78P29-L50 HydrophobicContact CB-CD2 4.33Å; P29-L50 HydrophobicContact CG-CD1 4.37Å; P29-L50 HydrophobicContact CG-CD2 4.34Å; S36-L50 WeakPolarHBondContact O-CA 3.44Å; I37-L50 HydrophobicContact CB-CB 4.36Å; I37-L50 HydrophobicContact CD1-CB 4.24Å; I37-L50 HydrophobicContact CD1-CD1 4.41Å; I37-L50 HydrophobicContact CG1-CB 4.13Å; L50-F78 HydrophobicContact CB-CB 4.22Å; L50-F78 HydrophobicContact CD2-CB 4.29Å; L50-F78 HydrophobicContact CD2-CD2 3.78Å; L50-F78 HydrophobicContact CD2-CG 4.31Å; L50-F78 PolarHBondContact N-O 2.93Å; L50-F78 PolarHBondContact O-N 2.78Å
51F98.8Very high97.1Very high2 Ų258 Ų581%0.00931%0.313CS..EExtended strand (participates in β ladder)trans-143.3144.2-179.7178.4-111000113.6H35 S36 P75 V77 L95 L99 H102 I113H35-F51 WeakPolarHBondContact CB-O 3.25Å; S36-F51 PolarHBondContact N-O 3.16Å; S36-F51 VanDerWaalsContact N-O 3.11Å; S36-F51 PolarHBondContact O-N 2.69Å; S36-F51 VanDerWaalsContact O-N 3.09Å; F51-P75 HydrophobicContact CE2-CB 4.34Å; F51-V77 HydrophobicContact CD2-CG2 3.95Å; F51-L95 HydrophobicContact CD2-CD1 4.28Å; F51-L95 HydrophobicContact CE2-CD1 3.71Å; F51-L95 HydrophobicContact CZ-CD1 4.15Å; F51-L95 HydrophobicContact CZ-CD2 4.18Å; F51-L99 HydrophobicContact CE1-CB 4.18Å; F51-L99 HydrophobicContact CE1-CD2 4.1Å; F51-L99 HydrophobicContact CZ-CB 4.36Å; F51-H102 AromaticContact CD1-CE1 3.63Å; F51-H102 AromaticContact CD1-NE2 3.72Å; F51-H102 PolarHBondContact O-CE1 3.5Å; F51-H102 VanDerWaalsContact O-CE1 3.31Å; F51-I113 HydrophobicContact CD1-CD1 4.37Å; F51-I113 HydrophobicContact CD1-CG1 4.19Å; F51-I113 HydrophobicContact CD1-CG2 4.21Å; F51-I113 HydrophobicContact CE1-CG2 4.15Å
52G98.6Very high97Very high0 Ų054.5 Ų54.50%030%0.298CS..EExtended strand (participates in β ladder)trans72.6-152.5167.700000115.1R32 H35 L99R32-G52 WeakPolarHBondContact CD-O 3.42Å; R32-G52 PolarHBondContact NH1-O 2.83Å; H35-G52 VanDerWaalsContact CB-O 3.29Å; H35-G52 WeakPolarHBondContact CB-O 3.22Å; G52-L99 CarbonylContact C-O 3.52Å; G52-L99 VanDerWaalsContact CA-O 3.23Å; G52-L99 WeakPolarHBondContact CA-O 3.46Å
53G98.7Very high97Very high0 Ų057 Ų570%031%0.313CS..EExtended strand (participates in β ladder)trans93.6175.7-177.400000114.5Y33 C73 L99 S100Y33-G53 CarbonylContact O-C 3.46Å; Y33-G53 VanDerWaalsContact O-CA 3.23Å; Y33-G53 WeakPolarHBondContact O-CA 3.32Å; G53-C73 WeakPolarHBondContact O-CB 3.42Å; G53-C73 PolarHBondContact O-N 2.79Å; G53-C73 PolarHBondContact O-SG 2.88Å; G53-L99 PolarHBondContact N-O 3.39Å; G53-S100 VanDerWaalsContact CA-OG 3.24Å; G53-S100 WeakPolarHBondContact CA-OG 3.37Å; G53-S100 PolarHBondContact O-OG 2.88Å; G53-S100 VanDerWaalsContact O-OG 3.13Å
54R98.6Very high97.1Very high19 Ų1953.8 Ų53.87%0.07231%0.314CS..EExtended strand (participates in β ladder)trans-116.1149.4176.7-56.3-161.9168.9145.39111.5R32 Y33 A71 D72 S100 H117R32-R54 CarbonylContact C-O 3.6Å; R32-R54 WeakPolarHBondContact CA-O 3.42Å; R32-R54 VanDerWaalsContact CB-O 3.29Å; R32-R54 WeakPolarHBondContact CB-O 3.41Å; Y33-R54 HydrophobicContact CD1-CB 4.41Å; Y33-R54 VanDerWaalsContact CD1-O 3.27Å; Y33-R54 WeakPolarHBondContact CD1-O 3.29Å; Y33-R54 HydrophobicContact CE1-CB 3.88Å; Y33-R54 PolarHBondContact N-O 2.84Å; Y33-R54 PolarHBondContact O-N 2.86Å; R54-A71 VanDerWaalsContact CA-O 3.23Å; R54-A71 WeakPolarHBondContact CA-O 3.45Å; R54-A71 VanDerWaalsContact CB-O 3.31Å; R54-A71 WeakPolarHBondContact CB-O 3.23Å; R54-D72 VanDerWaalsContact CG-OD1 3.28Å; R54-D72 WeakPolarHBondContact CG-OD1 3.34Å; R54-D72 IonicContact CZ-OD1 3.36Å; R54-D72 IonicContact NE-OD1 2.63Å; R54-D72 PolarHBondContact NE-OD1 2.88Å; R54-D72 IonicContact NE-OD2 3.82Å; R54-D72 IonicContact NH2-OD1 2.75Å; R54-D72 PolarHBondContact NH2-OD1 2.81Å; R54-D72 IonicContact NH2-OD2 3.52Å; R54-S100 WeakPolarHBondContact CG-OG 3.42Å; R54-S100 PolarHBondContact N-OG 2.85Å; R54-H117 PolarHBondContact NH1-ND1 2.96Å; R54-H117 PolarHBondContact NH2-ND1 2.74Å; R54-H117 PolarHBondContact NH2-O 3.01Å; R54-H117 VanDerWaalsContact NH2-O 3.1Å
55S98.5Very high97.3Very high10 Ų1056.9 Ų56.97%0.0731%0.305CS..EExtended strand (participates in β ladder)trans-127.5166.9169.961.60000110E30 A31 V70 A71E30-S55 PolarHBondContact OE1-OG 2.86Å; E30-S55 PolarHBondContact OE2-OG 2.8Å; A31-S55 WeakPolarHBondContact O-CB 3.45Å; S55-V70 CarbonylContact O-C 3.54Å; S55-V70 WeakPolarHBondContact O-CA 3.3Å; S55-V70 VanDerWaalsContact O-CB 3.3Å; S55-V70 WeakPolarHBondContact O-CB 3.34Å; S55-A71 PolarHBondContact N-O 2.94Å; S55-A71 PolarHBondContact O-N 2.69Å
56Y98.3Very high97.4Very high113 Ų11358.6 Ų58.644%0.44331%0.313SS..EExtended strand (participates in β ladder)trans-65159.4165.5-69-66000110.2R62 V70Y56-R62 VanDerWaalsContact CG-NH2 3.34Å; Y56-V70 HydrophobicContact CD1-CG1 3.85Å; Y56-V70 HydrophobicContact CE1-CG1 4.04Å
57M97Very high97.5Very high49 Ų4962 Ų6224%0.24132%0.316CS..PPolyproline II helixtrans-52.2143.9172.8-64.4-61.6174.500111.4S69 V70 A71M57-S69 PolarHBondContact N-O 3.39Å; M57-V70 WeakPolarHBondContact CE-O 3.32Å; M57-A71 HydrophobicContact CE-CB 4.09Å; M57-A71 HydrophobicContact SD-CB 4.04Å
58P95.5Very high97.5Very high62 Ų6267.4 Ų67.440%0.40334%0.344SS..PPolyproline II helixtrans-51.7150.5174.5-25.833.7000111.5T60 Q61 R62P58-T60 PolarHBondContact O-N 2.82Å; P58-Q61 PolarHBondContact O-N 2.65Å; P58-R62 PolarHBondContact O-N 2.74Å; P58-R62 VanDerWaalsContact O-N 3.12Å
59S94.1Very high97.5Very high112 Ų11269.6 Ų69.678%0.78336%0.359SS*.G310 helixtrans-53.2-34.2-176.753.80000113.4Q61S59-Q61 VanDerWaalsContact C-N 3.27Å; S59-Q61 PolarHBondContact O-N 2.98Å
60T95.6Very high97.5Very high126 Ų12671.2 Ų71.277%0.77337%0.369SS*.G310 helixtrans-69.7-18.7178.353.40000114.4P58P58-T60 PolarHBondContact O-N 2.82Å
61Q95.3Very high97.4Very high124 Ų12472.2 Ų72.258%0.57938%0.379SS*.G310 helixtrans-114.8-1.7-177.8-61.4-178.51000112.8P58 S59 T63P58-Q61 PolarHBondContact O-N 2.65Å; S59-Q61 VanDerWaalsContact C-N 3.27Å; S59-Q61 PolarHBondContact O-N 2.98Å; Q61-T63 PolarHBondContact O-N 2.97Å
62R96.3Very high97.4Very high71 Ų7173.4 Ų73.427%0.26839%0.386SS..  trans-86.1112.3-176.3-161.4175.5-167.6172.63.5110.5Y56 P58 W67Y56-R62 VanDerWaalsContact CG-NH2 3.34Å; P58-R62 PolarHBondContact O-N 2.74Å; P58-R62 VanDerWaalsContact O-N 3.12Å; R62-W67 HydrophobicContact CG-CE3 3.91Å; R62-W67 HydrophobicContact CG-CZ3 4.18Å; R62-W67 PolarHBondContact NE-O 3.47Å; R62-W67 PolarHBondContact NH2-O 2.85Å
63T97.7Very high97.4Very high60 Ų6073.5 Ų73.537%0.36839%0.387SS..  trans-106.8169.3172.577.70000110.8Q61 E65 K66 W67Q61-T63 PolarHBondContact O-N 2.97Å; T63-E65 VanDerWaalsContact C-N 3.27Å; T63-E65 WeakPolarHBondContact CB-OE2 3.1Å; T63-E65 PolarHBondContact O-N 3.39Å; T63-E65 PolarHBondContact OG1-N 2.98Å; T63-E65 PolarHBondContact OG1-OE2 2.86Å; T63-K66 CarbonylContact O-C 3.56Å; T63-K66 PolarHBondContact O-N 3.28Å; T63-K66 PolarHBondContact OG1-N 2.91Å; T63-W67 VanDerWaalsContact O-CA 3.3Å; T63-W67 WeakPolarHBondContact O-CA 3.31Å; T63-W67 PolarHBondContact O-N 3.43Å
64T97.8Very high97.4Very high116 Ų11678.8 Ų78.871%0.71241%0.414SS*.SBendtrans-61.8-35.2175.333.60000112.5W67T64-W67 WeakPolarHBondContact O-CB 3.4Å
65E98.3Very high97.4Very high153 Ų15378.9 Ų78.972%0.71542%0.417SS*.THydrogen-bonded Turntrans-74.4-30.1179.6-53.668.7-140.600111.7T63T63-E65 VanDerWaalsContact C-N 3.27Å; T63-E65 WeakPolarHBondContact CB-OE2 3.1Å; T63-E65 PolarHBondContact O-N 3.39Å; T63-E65 PolarHBondContact OG1-N 2.98Å; T63-E65 PolarHBondContact OG1-OE2 2.86Å
66K97.1Very high97.4Very high123 Ų12380.3 Ų80.354%0.53542%0.423SS..THydrogen-bonded Turntrans-107.622.8179.1-67.7-175.2179179.90112.6T63 N68 S69T63-K66 CarbonylContact O-C 3.56Å; T63-K66 PolarHBondContact O-N 3.28Å; T63-K66 PolarHBondContact OG1-N 2.91Å; K66-N68 PolarHBondContact O-N 2.82Å; K66-N68 VanDerWaalsContact O-N 3.16Å; K66-S69 VanDerWaalsContact O-CB 3.32Å; K66-S69 WeakPolarHBondContact O-CB 3.43Å; K66-S69 PolarHBondContact O-N 2.97Å; K66-S69 PolarHBondContact O-OG 2.92Å
67W97.5Very high97.4Very high137 Ų13775 Ų7552%0.51940%0.402SS..THydrogen-bonded Turntrans-58.1-37.5-170.8-174.4-101.3000113.2R62 T63 T64R62-W67 HydrophobicContact CG-CE3 3.91Å; R62-W67 HydrophobicContact CG-CZ3 4.18Å; R62-W67 PolarHBondContact NE-O 3.47Å; R62-W67 PolarHBondContact NH2-O 2.85Å; T63-W67 VanDerWaalsContact O-CA 3.3Å; T63-W67 WeakPolarHBondContact O-CA 3.31Å; T63-W67 PolarHBondContact O-N 3.43Å; T64-W67 WeakPolarHBondContact O-CB 3.4Å
68N97.9Very high97.5Very high125 Ų12573.2 Ų73.267%0.66839%0.393SS*.THydrogen-bonded Turntrans-97.96.4-179.7-63.1-34000113.3K66K66-N68 PolarHBondContact O-N 2.82Å; K66-N68 VanDerWaalsContact O-N 3.16Å
69S98Very high97.6Very high45 Ų4570.5 Ų70.532%0.31538%0.375SS..  trans-71.8140.5176.5-60.60000110.7M57 K66M57-S69 PolarHBondContact N-O 3.39Å; K66-S69 VanDerWaalsContact O-CB 3.32Å; K66-S69 WeakPolarHBondContact O-CB 3.43Å; K66-S69 PolarHBondContact O-N 2.97Å; K66-S69 PolarHBondContact O-OG 2.92Å
70V98.5Very high97.8Very high35 Ų3565.2 Ų65.221%0.21234%0.338CS..EExtended strand (participates in β ladder)trans-124.3156.1-177.8-63.50000110.7Y33 S55 Y56 M57 L119Y33-V70 HydrophobicContact CE1-CG1 4.21Å; S55-V70 CarbonylContact O-C 3.54Å; S55-V70 WeakPolarHBondContact O-CA 3.3Å; S55-V70 VanDerWaalsContact O-CB 3.3Å; S55-V70 WeakPolarHBondContact O-CB 3.34Å; Y56-V70 HydrophobicContact CD1-CG1 3.85Å; Y56-V70 HydrophobicContact CE1-CG1 4.04Å; M57-V70 WeakPolarHBondContact CE-O 3.32Å; V70-L119 HydrophobicContact CG2-CD2 4.03Å; V70-L119 WeakPolarHBondContact O-CD2 3.28Å
71A98.3Very high97.7Very high34 Ų3461.7 Ų61.728%0.28131%0.314SS..EExtended strand (participates in β ladder)trans-130.1156.8170.700000108.9R54 S55 M57R54-A71 VanDerWaalsContact CA-O 3.23Å; R54-A71 WeakPolarHBondContact CA-O 3.45Å; R54-A71 VanDerWaalsContact CB-O 3.31Å; R54-A71 WeakPolarHBondContact CB-O 3.23Å; S55-A71 PolarHBondContact N-O 2.94Å; S55-A71 PolarHBondContact O-N 2.69Å; M57-A71 HydrophobicContact CE-CB 4.09Å; M57-A71 HydrophobicContact SD-CB 4.04Å
72D98.5Very high97.5Very high27 Ų2758.8 Ų58.814%0.14430%0.3CS..EExtended strand (participates in β ladder)trans-66.1142.7164.6-68.4-53.5000109.5R54 S100 L119R54-D72 VanDerWaalsContact CG-OD1 3.28Å; R54-D72 WeakPolarHBondContact CG-OD1 3.34Å; R54-D72 IonicContact CZ-OD1 3.36Å; R54-D72 IonicContact NE-OD1 2.63Å; R54-D72 PolarHBondContact NE-OD1 2.88Å; R54-D72 IonicContact NE-OD2 3.82Å; R54-D72 IonicContact NH2-OD1 2.75Å; R54-D72 PolarHBondContact NH2-OD1 2.81Å; R54-D72 IonicContact NH2-OD2 3.52Å; D72-S100 WeakPolarHBondContact OD1-CB 3.14Å; D72-S100 PolarHBondContact OD1-OG 2.64Å; D72-L119 WeakPolarHBondContact OD2-CA 3.42Å; D72-L119 WeakPolarHBondContact OD2-CB 3.49Å; D72-L119 PolarHBondContact OD2-N 3.05Å
73C98.4Very high97.2Very high3 Ų362.2 Ų62.22%0.0232%0.319CS..PPolyproline II helixtrans-67.6161172.1-62.80000110.7E30 R32 G53E30-C73 PolarHBondContact OE1-SG 2.97Å; R32-C73 VanDerWaalsContact CZ-CB 3.41Å; G53-C73 WeakPolarHBondContact O-CB 3.42Å; G53-C73 PolarHBondContact O-N 2.79Å; G53-C73 PolarHBondContact O-SG 2.88Å
74L98.3Very high96.9Very high111 Ų11165.7 Ų65.758%0.58133%0.329SS*.PPolyproline II helixtrans-55142.3171.7-65.7175.8000110.9H76L74-H76 PolarHBondContact O-N 2.94Å
75P97.9Very high96.7Very high20 Ų2060.2 Ų60.213%0.1330%0.296CS..  trans-76.843-175.434.5-38.4000113F51 L95F51-P75 HydrophobicContact CE2-CB 4.34Å; P75-L95 HydrophobicContact CB-CB 4.12Å; P75-L95 VanDerWaalsContact CG-O 3.28Å; P75-L95 WeakPolarHBondContact CG-O 3.26Å
76H98.5Very high96.5Very high41 Ų4155.6 Ų55.619%0.1928%0.28CS..  trans-81.5144.6175.3-61.2177.4000110.5L74 F78 Y90L74-H76 PolarHBondContact O-N 2.94Å; H76-F78 HydrophobicContact CB-CD2 4.44Å; H76-F78 HydrophobicContact CB-CE2 3.76Å; H76-F78 HydrophobicContact CB-CZ 4.11Å; H76-Y90 WeakPolarHBondContact CA-O 3.38Å
77V98.7Very high96.5Very high0 Ų049.9 Ų49.90%026%0.255CS..EExtended strand (participates in β ladder)trans-97.1129.4169.4177.10000108.2V49 F51 S89 Y90 L92 L95 I131 V142V49-V77 HydrophobicContact CG1-CG1 3.53Å; F51-V77 HydrophobicContact CD2-CG2 3.95Å; V77-S89 CarbonylContact O-C 3.58Å; V77-Y90 PolarHBondContact N-O 3.02Å; V77-Y90 PolarHBondContact O-N 3.4Å; V77-L92 HydrophobicContact CB-CD1 4.29Å; V77-L92 HydrophobicContact CG2-CD1 3.66Å; V77-L92 HydrophobicContact CG2-CG 4.4Å; V77-L95 HydrophobicContact CG2-CD1 3.78Å; V77-I131 HydrophobicContact CG2-CD1 4.03Å; V77-V142 HydrophobicContact CG1-CG1 4.49Å
78F98.7Very high96.6Very high12 Ų1246.3 Ų46.35%0.05325%0.249CC..EExtended strand (participates in β ladder)trans-107125.3177.2-65.5-97.2000109.5D27 P29 V49 L50 H76 V80 T88D27-F78 VanDerWaalsContact O-CD1 3.25Å; D27-F78 WeakPolarHBondContact O-CD1 3.46Å; D27-F78 VanDerWaalsContact O-CE1 3.26Å; D27-F78 WeakPolarHBondContact O-CE1 3.44Å; P29-F78 HydrophobicContact CB-CD1 4.04Å; P29-F78 HydrophobicContact CB-CD2 4.08Å; P29-F78 HydrophobicContact CB-CE1 3.81Å; P29-F78 HydrophobicContact CB-CE2 3.86Å; P29-F78 HydrophobicContact CB-CG 4.17Å; P29-F78 HydrophobicContact CB-CZ 3.72Å; P29-F78 HydrophobicContact CG-CD1 4.25Å; P29-F78 HydrophobicContact CG-CE1 4.44Å; P29-F78 HydrophobicContact CG-CG 4.35Å; V49-F78 WeakPolarHBondContact CA-O 3.25Å; L50-F78 HydrophobicContact CB-CB 4.22Å; L50-F78 HydrophobicContact CD2-CB 4.29Å; L50-F78 HydrophobicContact CD2-CD2 3.78Å; L50-F78 HydrophobicContact CD2-CG 4.31Å; L50-F78 PolarHBondContact N-O 2.93Å; L50-F78 PolarHBondContact O-N 2.78Å; H76-F78 HydrophobicContact CB-CD2 4.44Å; H76-F78 HydrophobicContact CB-CE2 3.76Å; H76-F78 HydrophobicContact CB-CZ 4.11Å; F78-V80 HydrophobicContact CB-CG2 4.49Å; F78-T88 WeakPolarHBondContact CA-O 3.4Å
79L98.4Very high96.6Very high6 Ų642.3 Ų42.33%0.03123%0.231CC..EExtended strand (participates in β ladder)trans-89127.9164.4-62.5-170000108.7V47 G48 V49 A87 T88 Y90 V133 P140 V142V47-L79 HydrophobicContact CG1-CD2 4.24Å; V47-L79 HydrophobicContact CG2-CB 4.06Å; G48-L79 CarbonylContact O-C 3.57Å; G48-L79 WeakPolarHBondContact O-CA 3.27Å; V49-L79 HydrophobicContact CG1-CD2 4.32Å; V49-L79 HydrophobicContact CG2-CD2 3.9Å; L79-A87 CarbonylContact O-C 3.53Å; L79-A87 VanDerWaalsContact O-CA 3.32Å; L79-A87 WeakPolarHBondContact O-CA 3.28Å; L79-T88 PolarHBondContact N-O 2.91Å; L79-T88 PolarHBondContact O-N 3.27Å; L79-Y90 HydrophobicContact CB-CE2 4.13Å; L79-Y90 HydrophobicContact CD1-CD2 4.27Å; L79-Y90 HydrophobicContact CD1-CE2 3.55Å; L79-Y90 HydrophobicContact CG-CD2 3.96Å; L79-Y90 HydrophobicContact CG-CE2 3.62Å; L79-V133 HydrophobicContact CD1-CG1 4.19Å; L79-V133 HydrophobicContact CD2-CG1 4.13Å; L79-V133 HydrophobicContact CD2-CG2 4.19Å; L79-P140 HydrophobicContact CD1-CB 3.52Å; L79-P140 HydrophobicContact CD1-CG 4.04Å; L79-V142 HydrophobicContact CD1-CG2 3.74Å; L79-V142 HydrophobicContact CD2-CG2 4.21Å; L79-V142 HydrophobicContact CG-CG2 4.11Å
80V97.8Very high96.6Very high0 Ų042 Ų420%022%0.223CC..EExtended strand (participates in β ladder)trans-123.2113.5-177.9-174.10000110.2I2 L24 V47 G48 F78 F82 C86 A87I2-V80 HydrophobicContact CD1-CG1 3.66Å; L24-V80 HydrophobicContact CD2-CG1 3.69Å; V47-V80 VanDerWaalsContact CG2-O 3.29Å; V47-V80 WeakPolarHBondContact CG2-O 3.43Å; G48-V80 PolarHBondContact N-O 3.09Å; G48-V80 PolarHBondContact O-N 2.81Å; F78-V80 HydrophobicContact CB-CG2 4.49Å; V80-F82 HydrophobicContact CB-CE1 4.4Å; V80-F82 HydrophobicContact CG1-CD1 4.16Å; V80-F82 HydrophobicContact CG1-CE1 4.02Å; V80-C86 WeakPolarHBondContact CA-O 3.4Å; V80-A87 HydrophobicContact CG2-CB 4.49Å
81D94.4Very high96.6Very high52 Ų5246.7 Ų46.728%0.27825%0.245SC..  trans-79.9117.3170.9-175.3-50.2000109.5E83 F84 G85 C86D81-E83 WeakPolarHBondContact OD1-CA 3.29Å; D81-E83 VanDerWaalsContact OD1-CB 3.3Å; D81-E83 WeakPolarHBondContact OD1-CB 3.45Å; D81-E83 PolarHBondContact OD1-N 2.89Å; D81-F84 PolarHBondContact OD1-N 3.47Å; D81-G85 CarbonylContact O-C 3.51Å; D81-G85 WeakPolarHBondContact O-CA 3.23Å; D81-G85 PolarHBondContact O-N 2.94Å; D81-C86 HydrophobicContact CB-CB 4.31Å; D81-C86 PolarHBondContact N-O 2.8Å; D81-C86 PolarHBondContact O-N 3.31Å
82F91.1Very high96.6Very high64 Ų6445.6 Ų45.628%0.28124%0.235SC..THydrogen-bonded Turntrans-82.3-13.4-179.9-57.6-56.9000114.1I2 K22 I37 V39 V80I2-F82 HydrophobicContact CD1-CD1 4.21Å; I2-F82 HydrophobicContact CD1-CE1 3.79Å; I2-F82 HydrophobicContact CG2-CE1 4.47Å; K22-F82 WeakPolarHBondContact CE-O 3.4Å; K22-F82 PolarHBondContact NZ-O 3.11Å; I37-F82 HydrophobicContact CD1-CE1 4.23Å; I37-F82 HydrophobicContact CD1-CZ 4.02Å; V39-F82 HydrophobicContact CG2-CE2 3.98Å; V80-F82 HydrophobicContact CB-CE1 4.4Å; V80-F82 HydrophobicContact CG1-CD1 4.16Å; V80-F82 HydrophobicContact CG1-CE1 4.02Å
83E90Very high96.5Very high143 Ų14348.8 Ų48.867%0.66826%0.257SS*.THydrogen-bonded Turntrans-77-42.6177.2-173.9175.4179.700110.7K22 D81K22-E83 PolarHBondContact NZ-O 2.97Å; D81-E83 WeakPolarHBondContact OD1-CA 3.29Å; D81-E83 VanDerWaalsContact OD1-CB 3.3Å; D81-E83 WeakPolarHBondContact OD1-CB 3.45Å; D81-E83 PolarHBondContact OD1-N 2.89Å
84F90.9Very high96.5Very high133 Ų13351.8 Ų51.858%0.58327%0.271SS*.THydrogen-bonded Turntrans-107.9-15.7-179.8-58.6-73000113.9D81 C86D81-F84 PolarHBondContact OD1-N 3.47Å; F84-C86 VanDerWaalsContact C-N 3.34Å
85G93.2Very high96.4Very high1 Ų147 Ų471%0.0125%0.245CC..  trans77.720.6-175.100000113L24 V25 D81L24-G85 CarbonylContact C-O 3.49Å; L24-G85 VanDerWaalsContact CA-O 3.27Å; L24-G85 WeakPolarHBondContact CA-O 3.32Å; L24-G85 WeakPolarHBondContact CD2-O 3.37Å; V25-G85 PolarHBondContact N-O 2.83Å; D81-G85 CarbonylContact O-C 3.51Å; D81-G85 WeakPolarHBondContact O-CA 3.23Å; D81-G85 PolarHBondContact O-N 2.94Å
86C94.7Very high96.3Very high55 Ų5552.5 Ų52.537%0.37227%0.27SS..EExtended strand (participates in β ladder)trans-83130-179.3-61.60000110.6V80 D81 F84V80-C86 WeakPolarHBondContact CA-O 3.4Å; D81-C86 HydrophobicContact CB-CB 4.31Å; D81-C86 PolarHBondContact N-O 2.8Å; D81-C86 PolarHBondContact O-N 3.31Å; F84-C86 VanDerWaalsContact C-N 3.34Å
87A97.6Very high96.2Very high3 Ų355.3 Ų55.33%0.02529%0.286CS..EExtended strand (participates in β ladder)trans-110.4139.2173.400000110.7V25 D27 L79 V80V25-A87 PolarHBondContact O-N 3.19Å; D27-A87 PolarHBondContact N-O 2.86Å; D27-A87 WeakPolarHBondContact O-CB 3.46Å; L79-A87 CarbonylContact O-C 3.53Å; L79-A87 VanDerWaalsContact O-CA 3.32Å; L79-A87 WeakPolarHBondContact O-CA 3.28Å; V80-A87 HydrophobicContact CG2-CB 4.49Å
88T98Very high96.1Very high63 Ų6356 Ų5639%0.38729%0.292SS..EExtended strand (participates in β ladder)trans-135.2131.6175-53.10000109.3F78 L79 Y90F78-T88 WeakPolarHBondContact CA-O 3.4Å; L79-T88 PolarHBondContact N-O 2.91Å; L79-T88 PolarHBondContact O-N 3.27Å; T88-Y90 HydrophobicContact CG2-CE2 3.72Å
89S98.3Very high96.1Very high41 Ų4155.8 Ų55.829%0.28729%0.292SS..EExtended strand (participates in β ladder)trans-95.3143.1-177.566.80000112.2D27 V77D27-S89 PolarHBondContact OD2-N 2.91Å; D27-S89 PolarHBondContact OD2-OG 3.22Å; V77-S89 CarbonylContact O-C 3.58Å
90Y98.5Very high96.1Very high39 Ų3955.5 Ų55.515%0.15329%0.29CS..EExtended strand (participates in β ladder)trans-129.4130.3177.6-67.4-98.5000109.5H76 V77 L79 T88 V142H76-Y90 WeakPolarHBondContact CA-O 3.38Å; V77-Y90 PolarHBondContact N-O 3.02Å; V77-Y90 PolarHBondContact O-N 3.4Å; L79-Y90 HydrophobicContact CB-CE2 4.13Å; L79-Y90 HydrophobicContact CD1-CD2 4.27Å; L79-Y90 HydrophobicContact CD1-CE2 3.55Å; L79-Y90 HydrophobicContact CG-CD2 3.96Å; L79-Y90 HydrophobicContact CG-CE2 3.62Å; T88-Y90 HydrophobicContact CG2-CE2 3.72Å; Y90-V142 HydrophobicContact CD1-CB 4.13Å; Y90-V142 HydrophobicContact CD1-CG2 3.86Å; Y90-V142 HydrophobicContact CD2-CG2 4.03Å; Y90-V142 HydrophobicContact CE1-CG2 4Å; Y90-V142 HydrophobicContact CE2-CG2 4.19Å; Y90-V142 HydrophobicContact CG-CB 4.27Å; Y90-V142 HydrophobicContact CG-CG2 3.88Å
91I98.3Very high96.1Very high132 Ų13260.8 Ų60.868%0.67731%0.314SS*.  trans-98.1121.1172.9-54178.5000107
92L98.1Very high96.3Very high12 Ų1259.2 Ų59.26%0.06331%0.305CS..  trans-114.2125.2-177.8-56.5179.2000109.3V77 E94 L95 I131 V142 C144V77-L92 HydrophobicContact CB-CD1 4.29Å; V77-L92 HydrophobicContact CG2-CD1 3.66Å; V77-L92 HydrophobicContact CG2-CG 4.4Å; L92-E94 PolarHBondContact O-N 3.05Å; L92-E94 VanDerWaalsContact O-N 3.16Å; L92-L95 HydrophobicContact CB-CD1 4.17Å; L92-L95 HydrophobicContact CB-CG 4.38Å; L92-L95 HydrophobicContact CD1-CD1 4.08Å; L92-L95 PolarHBondContact O-N 3.16Å; L92-I131 HydrophobicContact CD1-CG2 4.23Å; L92-V142 HydrophobicContact CD1-CG1 3.77Å; L92-V142 HydrophobicContact CD2-CB 4.33Å; L92-V142 HydrophobicContact CD2-CG1 4.16Å; L92-C144 HydrophobicContact CB-CB 4.19Å; L92-C144 HydrophobicContact CD1-CB 3.81Å
93P97.4Very high96.7Very high94 Ų9460.3 Ų60.361%0.6132%0.317SS*.THydrogen-bonded Turntrans-66.9-16.4-172.627.6-35.1000113.7L95 Q96P93-L95 VanDerWaalsContact C-N 3.3Å; P93-Q96 PolarHBondContact O-NE2 2.9Å
94E97.7Very high97.1Very high66 Ų6655 Ų5531%0.30830%0.295SS..THydrogen-bonded Turntrans-77.4-18.7175.3-5976.8-168.700112.4L92 C144 V146L92-E94 PolarHBondContact O-N 3.05Å; L92-E94 VanDerWaalsContact O-N 3.16Å; E94-C144 HydrophobicContact CB-CB 4.02Å; E94-C144 VanDerWaalsContact CD-O 3.23Å; E94-C144 HydrophobicContact CG-CB 4.19Å; E94-C144 WeakPolarHBondContact OE2-CB 3.5Å; E94-V146 HydrophobicContact CB-CG2 4.15Å
95L97.1Very high97.4Very high9 Ų952.9 Ų52.95%0.04729%0.289CS..  trans-104.192.3-176.6-59.2175000109.9F51 P75 V77 L92 P93 Y129 I131F51-L95 HydrophobicContact CD2-CD1 4.28Å; F51-L95 HydrophobicContact CE2-CD1 3.71Å; F51-L95 HydrophobicContact CZ-CD1 4.15Å; F51-L95 HydrophobicContact CZ-CD2 4.18Å; P75-L95 HydrophobicContact CB-CB 4.12Å; P75-L95 VanDerWaalsContact CG-O 3.28Å; P75-L95 WeakPolarHBondContact CG-O 3.26Å; V77-L95 HydrophobicContact CG2-CD1 3.78Å; L92-L95 HydrophobicContact CB-CD1 4.17Å; L92-L95 HydrophobicContact CB-CG 4.38Å; L92-L95 HydrophobicContact CD1-CD1 4.08Å; L92-L95 PolarHBondContact O-N 3.16Å; P93-L95 VanDerWaalsContact C-N 3.3Å; L95-Y129 HydrophobicContact CD2-CD1 3.55Å; L95-Y129 HydrophobicContact CD2-CD2 4.04Å; L95-Y129 HydrophobicContact CD2-CE1 3.73Å; L95-Y129 HydrophobicContact CD2-CE2 4.18Å; L95-Y129 HydrophobicContact CD2-CG 3.72Å; L95-I131 HydrophobicContact CD1-CD1 4.2Å
96Q94.9Very high97.7Very high137 Ų13754.7 Ų54.764%0.6430%0.304SS*.  trans-93.5-39.7-174.5-66.1-62-43.900113.4P93P93-Q96 PolarHBondContact O-NE2 2.9Å
97D95.4Very high97.9Very high100 Ų10060.2 Ų60.254%0.53532%0.317SS..SBendtrans-104.9144.9-176.4-67.3-45.5000111.9
98G97.4Very high97.9Very high13 Ų1365.6 Ų65.613%0.13435%0.345CS..  trans-60.5141166.900000111.2S118G98-S118 WeakPolarHBondContact O-CB 3.41Å; G98-S118 PolarHBondContact O-OG 2.75Å; G98-S118 VanDerWaalsContact O-OG 3.05Å
99L98.3Very high97.9Very high8 Ų864 Ų644%0.04233%0.334CS..  trans-139.1132.9-174.3-167.472000111.3F51 G52 G53 H102 I113 G115 P125F51-L99 HydrophobicContact CE1-CB 4.18Å; F51-L99 HydrophobicContact CE1-CD2 4.1Å; F51-L99 HydrophobicContact CZ-CB 4.36Å; G52-L99 CarbonylContact C-O 3.52Å; G52-L99 VanDerWaalsContact CA-O 3.23Å; G52-L99 WeakPolarHBondContact CA-O 3.46Å; G53-L99 PolarHBondContact N-O 3.39Å; L99-H102 HydrophobicContact CD2-CB 3.84Å; L99-H102 HydrophobicContact CG-CB 4.24Å; L99-I113 HydrophobicContact CD2-CG2 4.05Å; L99-G115 WeakPolarHBondContact CD2-O 3.36Å; L99-P125 HydrophobicContact CD1-CG 4.03Å
100S98.6Very high97.9Very high0 Ų062.6 Ų62.60%032%0.324CS..BIsolated β-bridgetrans-133.3157-178.6-63.80000112.1G53 R54 D72 H102 G116 H117G53-S100 VanDerWaalsContact CA-OG 3.24Å; G53-S100 WeakPolarHBondContact CA-OG 3.37Å; G53-S100 PolarHBondContact O-OG 2.88Å; G53-S100 VanDerWaalsContact O-OG 3.13Å; R54-S100 WeakPolarHBondContact CG-OG 3.42Å; R54-S100 PolarHBondContact N-OG 2.85Å; D72-S100 WeakPolarHBondContact OD1-CB 3.14Å; D72-S100 PolarHBondContact OD1-OG 2.64Å; S100-H102 PolarHBondContact O-N 3.38Å; S100-G116 CarbonylContact O-C 3.5Å; S100-G116 WeakPolarHBondContact O-CA 3.43Å; S100-H117 PolarHBondContact N-O 3.1Å; S100-H117 PolarHBondContact O-N 2.92Å
101F98.6Very high97.9Very high112 Ų11260.8 Ų60.849%0.49132%0.317SS..SBendtrans54.733.2-180-48.9-74.8000113.3Y33 G34Y33-F101 HydrophobicContact CD2-CE1 4.46Å; Y33-F101 HydrophobicContact CD2-CZ 4.21Å; Y33-F101 HydrophobicContact CE2-CE1 4.48Å; Y33-F101 AromaticContact CE2-CZ 3.82Å; Y33-F101 HydrophobicContact CE2-CZ 3.82Å; G34-F101 PolarHBondContact O-N 2.83Å
102H98.6Very high97.9Very high18 Ų1857.3 Ų57.38%0.08330%0.295CS..  trans-81.7162.7172.255.3-95.7000110.4S36 F51 L99 S100 I113S36-H102 WeakPolarHBondContact CB-NE2 3.47Å; S36-H102 PolarHBondContact OG-CD2 3Å; S36-H102 PolarHBondContact OG-NE2 2.75Å; F51-H102 AromaticContact CD1-CE1 3.63Å; F51-H102 AromaticContact CD1-NE2 3.72Å; F51-H102 PolarHBondContact O-CE1 3.5Å; F51-H102 VanDerWaalsContact O-CE1 3.31Å; L99-H102 HydrophobicContact CD2-CB 3.84Å; L99-H102 HydrophobicContact CG-CB 4.24Å; S100-H102 PolarHBondContact O-N 3.38Å; H102-I113 HydrophobicContact CB-CG2 3.95Å
103V98.5Very high97.9Very high88 Ų8856.8 Ų56.853%0.53329%0.293SS..EExtended strand (participates in β ladder)trans-93142.5169.7177.70000108.5I105 I113 L114V103-I105 HydrophobicContact CG1-CG1 4.28Å; V103-I113 WeakPolarHBondContact O-CA 3.28Å; V103-L114 HydrophobicContact CB-CB 4.44Å; V103-L114 HydrophobicContact CB-CD1 4.48Å; V103-L114 HydrophobicContact CG1-CD1 4.29Å; V103-L114 PolarHBondContact N-O 3.3Å; V103-L114 PolarHBondContact O-N 2.93Å
104S98.6Very high98Very high30 Ų3055.2 Ų55.221%0.2128%0.279CS..EExtended strand (participates in β ladder)trans-127.7140.1176.271.80000110.4S36 D38 Y112 I113S36-S104 VanDerWaalsContact CB-OG 3.23Å; S36-S104 WeakPolarHBondContact CB-OG 3.36Å; S36-S104 WeakPolarHBondContact OG-CB 3.23Å; D38-S104 WeakPolarHBondContact OD2-CB 3.31Å; D38-S104 PolarHBondContact OD2-OG 2.94Å; S104-Y112 CarbonylContact C-O 3.56Å; S104-Y112 VanDerWaalsContact CA-O 3.31Å; S104-Y112 WeakPolarHBondContact CA-O 3.36Å; S104-I113 VanDerWaalsContact CB-CD1 3.49Å
105I98.6Very high97.9Very high89 Ų8953.4 Ų53.446%0.45628%0.278SS..EExtended strand (participates in β ladder)trans-135.8114.5-178.1-53.8176.8000109.1V103 I111 Y112 L114V103-I105 HydrophobicContact CG1-CG1 4.28Å; I105-I111 CarbonylContact O-C 3.58Å; I105-I111 WeakPolarHBondContact O-CA 3.03Å; I105-Y112 PolarHBondContact N-O 3.07Å; I105-Y112 PolarHBondContact O-N 3.42Å; I105-L114 HydrophobicContact CD1-CD1 3.67Å; I105-L114 HydrophobicContact CG1-CD1 3.9Å
106A98.6Very high97.9Very high39 Ų3953.6 Ų53.632%0.32228%0.282SS..EExtended strand (participates in β ladder)trans-81.4136.117100000112.5D38 I111D38-A106 HydrophobicContact CB-CB 4Å; A106-I111 HydrophobicContact CB-CG2 4.37Å
107R98.1Very high98.1Very high172 Ų17248 Ų4865%0.64926%0.256SS*.EExtended strand (participates in β ladder)trans-141.1106.4167.4-174.6-178.9-179.5-169.90.4109.4D109 T110 Y112R107-D109 PolarHBondContact O-N 2.89Å; R107-D109 VanDerWaalsContact O-N 3.16Å; R107-T110 CarbonylContact C-O 3.57Å; R107-T110 PolarHBondContact N-O 3.13Å; R107-T110 PolarHBondContact O-N 2.9Å; R107-Y112 HydrophobicContact CB-CE2 4.26Å
108N97.4Very high98.2Very high115 Ų11543.4 Ų43.462%0.61523%0.232SC*.THydrogen-bonded Turntrans53.9-113.9-177.8-58.4-19.4000111.7V40 Y41 T110V40-N108 CarbonylContact C-O 3.54Å; V40-N108 VanDerWaalsContact CA-O 3.24Å; V40-N108 WeakPolarHBondContact CA-O 3.24Å; V40-N108 VanDerWaalsContact CB-O 3.29Å; V40-N108 WeakPolarHBondContact CB-O 3.17Å; Y41-N108 PolarHBondContact N-O 3.13Å; Y41-N108 CarbonylContact O-C 3.57Å; Y41-N108 VanDerWaalsContact O-C 3.3Å; N108-T110 VanDerWaalsContact C-N 3.32Å
109D98.2Very high98.3Very high29 Ų2945.4 Ų45.416%0.15524%0.239CC..THydrogen-bonded Turntrans-89.87.3-177.369.4-23.8000113Y41 R107 R132 V133Y41-D109 WeakPolarHBondContact O-CA 3.29Å; Y41-D109 WeakPolarHBondContact O-CB 3.44Å; Y41-D109 PolarHBondContact O-N 3.28Å; R107-D109 PolarHBondContact O-N 2.89Å; R107-D109 VanDerWaalsContact O-N 3.16Å; D109-R132 IonicContact OD2-CZ 3.31Å; D109-R132 VanDerWaalsContact OD2-CZ 3.31Å; D109-R132 IonicContact OD2-NE 4Å; D109-R132 PolarHBondContact OD2-NE 3.27Å; D109-R132 IonicContact OD2-NH2 2.93Å; D109-R132 PolarHBondContact OD2-NH2 2.87Å; D109-V133 PolarHBondContact O-N 3.12Å
110T98.7Very high98.2Very high12 Ų1249.6 Ų49.67%0.07428%0.275CS..EExtended strand (participates in β ladder)trans-131.7138.7-169.2-56.60000110.9R107 N108 Y112 R130 I131R107-T110 CarbonylContact C-O 3.57Å; R107-T110 PolarHBondContact N-O 3.13Å; R107-T110 PolarHBondContact O-N 2.9Å; N108-T110 VanDerWaalsContact C-N 3.32Å; T110-Y112 HydrophobicContact CG2-CD2 4.39Å; T110-Y112 HydrophobicContact CG2-CE2 3.77Å; T110-R130 HydrophobicContact CG2-CG 3.4Å; T110-R130 VanDerWaalsContact CG2-CG 3.4Å; T110-I131 CarbonylContact C-O 3.55Å; T110-I131 WeakPolarHBondContact CA-O 3.08Å; T110-I131 WeakPolarHBondContact CG2-O 3.45Å
111I98.6Very high98.1Very high1 Ų152.3 Ų52.31%0.00529%0.294CS..EExtended strand (participates in β ladder)trans-112.1146.5167.464.9171.6000110.8D38 V40 V49 I105 A106 I113 R130 I131D38-I111 HydrophobicContact CB-CG2 3.83Å; V40-I111 HydrophobicContact CG1-CG2 3.37Å; V49-I111 HydrophobicContact CB-CD1 4Å; V49-I111 HydrophobicContact CG1-CD1 3.44Å; V49-I111 VanDerWaalsContact CG1-CD1 3.44Å; I105-I111 CarbonylContact O-C 3.58Å; I105-I111 WeakPolarHBondContact O-CA 3.03Å; A106-I111 HydrophobicContact CB-CG2 4.37Å; I111-I113 HydrophobicContact CD1-CD1 4.18Å; I111-I113 HydrophobicContact CD1-CG1 4.45Å; I111-R130 WeakPolarHBondContact O-CA 3.34Å; I111-I131 HydrophobicContact CD1-CB 4.14Å; I111-I131 HydrophobicContact CD1-CD1 3.97Å; I111-I131 HydrophobicContact CG1-CB 3.64Å; I111-I131 HydrophobicContact CG1-CD1 4.28Å; I111-I131 HydrophobicContact CG1-CG1 4.37Å; I111-I131 HydrophobicContact CG1-CG2 4.35Å; I111-I131 PolarHBondContact N-O 3.37Å; I111-I131 PolarHBondContact O-N 3.33Å
112Y98.8Very high98.1Very high59 Ų5952.4 Ų52.423%0.23130%0.299CS..EExtended strand (participates in β ladder)trans-115.3123.5173.3-61.6-95.4000108.9S104 I105 R107 T110 L128 Y129 R130 L147S104-Y112 CarbonylContact C-O 3.56Å; S104-Y112 VanDerWaalsContact CA-O 3.31Å; S104-Y112 WeakPolarHBondContact CA-O 3.36Å; I105-Y112 PolarHBondContact N-O 3.07Å; I105-Y112 PolarHBondContact O-N 3.42Å; R107-Y112 HydrophobicContact CB-CE2 4.26Å; T110-Y112 HydrophobicContact CG2-CD2 4.39Å; T110-Y112 HydrophobicContact CG2-CE2 3.77Å; Y112-L128 HydrophobicContact CD1-CD1 4.48Å; Y112-Y129 CarbonylContact C-O 3.6Å; Y112-Y129 VanDerWaalsContact CA-O 3.3Å; Y112-Y129 WeakPolarHBondContact CA-O 3.22Å; Y112-R130 HydrophobicContact CD1-CB 4.03Å; Y112-R130 HydrophobicContact CD1-CG 4.06Å; Y112-R130 HydrophobicContact CE1-CB 3.96Å; Y112-R130 HydrophobicContact CE1-CG 3.6Å; Y112-L147 HydrophobicContact CD1-CD1 4.25Å; Y112-L147 HydrophobicContact CE1-CD1 4.04Å
113I98.6Very high98Very high1 Ų156.4 Ų56.41%0.00532%0.32CS..EExtended strand (participates in β ladder)trans-106.7123176.7-55.6-59.7000108.6F51 L99 H102 V103 S104 I111 Y129 I131F51-I113 HydrophobicContact CD1-CD1 4.37Å; F51-I113 HydrophobicContact CD1-CG1 4.19Å; F51-I113 HydrophobicContact CD1-CG2 4.21Å; F51-I113 HydrophobicContact CE1-CG2 4.15Å; L99-I113 HydrophobicContact CD2-CG2 4.05Å; H102-I113 HydrophobicContact CB-CG2 3.95Å; V103-I113 WeakPolarHBondContact O-CA 3.28Å; S104-I113 VanDerWaalsContact CB-CD1 3.49Å; I111-I113 HydrophobicContact CD1-CD1 4.18Å; I111-I113 HydrophobicContact CD1-CG1 4.45Å; I113-Y129 HydrophobicContact CB-CD2 4.44Å; I113-Y129 HydrophobicContact CG2-CD2 4.48Å; I113-Y129 PolarHBondContact N-O 3.41Å; I113-Y129 PolarHBondContact O-N 3.44Å; I113-I131 HydrophobicContact CG1-CD1 4.28Å
114L97.8Very high98Very high61 Ų6161.2 Ų61.232%0.31933%0.329SS..EExtended strand (participates in β ladder)trans-123132.7-173.6-51103000111.6V103 I105 L128V103-L114 HydrophobicContact CB-CB 4.44Å; V103-L114 HydrophobicContact CB-CD1 4.48Å; V103-L114 HydrophobicContact CG1-CD1 4.29Å; V103-L114 PolarHBondContact N-O 3.3Å; V103-L114 PolarHBondContact O-N 2.93Å; I105-L114 HydrophobicContact CD1-CD1 3.67Å; I105-L114 HydrophobicContact CG1-CD1 3.9Å; L114-L128 HydrophobicContact CB-CD1 4.45Å; L114-L128 HydrophobicContact CD1-CD1 4.44Å; L114-L128 HydrophobicContact CD2-CD1 3.56Å; L114-L128 HydrophobicContact CG-CD1 3.48Å; L114-L128 VanDerWaalsContact CG-CD1 3.48Å
115G96.4Very high97.8Very high28 Ų2861.2 Ų61.229%0.28933%0.328SS..  trans66.6-131.7171.900000113L99 N127L99-G115 WeakPolarHBondContact CD2-O 3.36Å; G115-N127 PolarHBondContact N-O 2.98Å
116G97.8Very high97.6Very high13 Ų1361.9 Ų61.913%0.13435%0.347CS..  trans92-175.6-175.600000114.2S100 R124S100-G116 CarbonylContact O-C 3.5Å; S100-G116 WeakPolarHBondContact O-CA 3.43Å; G116-R124 WeakPolarHBondContact O-CA 3.04Å
117H98.5Very high97.3Very high21 Ų2163.3 Ų63.310%0.09735%0.349CS..BIsolated β-bridgetrans-133.8126.6179.4179-124.6000109.7R54 S100 N122 I123 R124R54-H117 PolarHBondContact NH1-ND1 2.96Å; R54-H117 PolarHBondContact NH2-ND1 2.74Å; R54-H117 PolarHBondContact NH2-O 3.01Å; R54-H117 VanDerWaalsContact NH2-O 3.1Å; S100-H117 PolarHBondContact N-O 3.1Å; S100-H117 PolarHBondContact O-N 2.92Å; H117-N122 PolarHBondContact NE2-OD1 2.61Å; H117-I123 PolarHBondContact CD2-O 3.24Å; H117-I123 VanDerWaalsContact CD2-O 3.3Å; H117-R124 HydrophobicContact CB-CG 4.32Å
118S98.3Very high97.3Very high3 Ų357.1 Ų57.12%0.02133%0.329CS..BIsolated β-bridgetrans-95.8120168.1-175.40000108.6G98 S121 N122 I123G98-S118 WeakPolarHBondContact O-CB 3.41Å; G98-S118 PolarHBondContact O-OG 2.75Å; G98-S118 VanDerWaalsContact O-OG 3.05Å; S118-S121 WeakPolarHBondContact CB-OG 3.31Å; S118-S121 PolarHBondContact OG-OG 2.81Å; S118-N122 CarbonylContact O-C 3.39Å; S118-N122 WeakPolarHBondContact O-CA 3.23Å; S118-N122 PolarHBondContact O-N 3.36Å; S118-I123 PolarHBondContact N-O 2.63Å; S118-I123 PolarHBondContact O-N 3.12Å; S118-I123 VanDerWaalsContact O-N 3.07Å
119L98.2Very high97.4Very high55 Ų5552.9 Ų52.929%0.28831%0.305SS..THydrogen-bonded Turntrans-74.2-38.6-179.3-16854.1000111.8V70 D72 S121 N122V70-L119 HydrophobicContact CG2-CD2 4.03Å; V70-L119 WeakPolarHBondContact O-CD2 3.28Å; D72-L119 WeakPolarHBondContact OD2-CA 3.42Å; D72-L119 WeakPolarHBondContact OD2-CB 3.49Å; D72-L119 PolarHBondContact OD2-N 3.05Å; L119-S121 VanDerWaalsContact C-N 3.33Å; L119-S121 PolarHBondContact O-N 3.06Å; L119-N122 PolarHBondContact O-N 3.03Å
120A96.2Very high97.4Very high96 Ų9656 Ų5679%0.79331%0.314SS*.THydrogen-bonded Turntrans-60.9-43.8-176.500000111.6
121S97.1Very high97.4Very high56 Ų5655.4 Ų55.439%0.39231%0.31SS..THydrogen-bonded Turntrans-91-13.1173.758.20000113.5S118 L119 I123S118-S121 WeakPolarHBondContact CB-OG 3.31Å; S118-S121 PolarHBondContact OG-OG 2.81Å; L119-S121 VanDerWaalsContact C-N 3.33Å; L119-S121 PolarHBondContact O-N 3.06Å; S121-I123 VanDerWaalsContact C-N 3.29Å; S121-I123 PolarHBondContact O-N 3.31Å
122N98Very high97.4Very high115 Ų11562.3 Ų62.362%0.61534%0.336SS*.THydrogen-bonded Turntrans55.937.2-172.6-16429.3000114.1H117 S118 L119H117-N122 PolarHBondContact NE2-OD1 2.61Å; S118-N122 CarbonylContact O-C 3.39Å; S118-N122 WeakPolarHBondContact O-CA 3.23Å; S118-N122 PolarHBondContact O-N 3.36Å; L119-N122 PolarHBondContact O-N 3.03Å
123I97.8Very high97.4Very high101 Ų10159.5 Ų59.552%0.51833%0.325SS..BIsolated β-bridgetrans-118.7151.7-176.6-68.2167.4000110.8H117 S118 S121 P125H117-I123 PolarHBondContact CD2-O 3.24Å; H117-I123 VanDerWaalsContact CD2-O 3.3Å; S118-I123 PolarHBondContact N-O 2.63Å; S118-I123 PolarHBondContact O-N 3.12Å; S118-I123 VanDerWaalsContact O-N 3.07Å; S121-I123 VanDerWaalsContact C-N 3.29Å; S121-I123 PolarHBondContact O-N 3.31Å; I123-P125 WeakPolarHBondContact O-CD 3.3Å
124R98.2Very high97.3Very high189 Ų18961.6 Ų61.671%0.71334%0.337SS*.  trans-102.992.6167.2-64.3179.2-173.1-86.6-0.5108.7G116 H117G116-R124 WeakPolarHBondContact O-CA 3.04Å; H117-R124 HydrophobicContact CB-CG 4.32Å
125P95Very high97.3Very high30 Ų3059.4 Ų59.420%0.19533%0.325CS..  trans-67.7145.5-178.228.6-34.2000110.5L99 I123 N127L99-P125 HydrophobicContact CD1-CG 4.03Å; I123-P125 WeakPolarHBondContact O-CD 3.3Å; P125-N127 HydrophobicContact CB-CB 4.43Å; P125-N127 PolarHBondContact O-N 3.05Å
126A94.4Very high97.2Very high104 Ų10460.2 Ų60.286%0.8633%0.326SS*.  trans-85.824.9173.600000112.3
127N92.1Very high96.8Very high69 Ų6967.7 Ų67.737%0.36936%0.362SS..  trans-77.8143.1-174.6-64.1-5.9000111.1G115 P125 Y129G115-N127 PolarHBondContact N-O 2.98Å; P125-N127 HydrophobicContact CB-CB 4.43Å; P125-N127 PolarHBondContact O-N 3.05Å; N127-Y129 HydrophobicContact CB-CD2 4.47Å; N127-Y129 HydrophobicContact CB-CE1 4.46Å; N127-Y129 HydrophobicContact CB-CE2 3.76Å; N127-Y129 PolarHBondContact ND2-OH 3.17Å
128L97.6Very high96.4Very high42 Ų4269.4 Ų69.422%0.2239%0.385CS..EExtended strand (participates in β ladder)trans-116.8114.1170173.757.1000108.8Y112 L114 L147Y112-L128 HydrophobicContact CD1-CD1 4.48Å; L114-L128 HydrophobicContact CB-CD1 4.45Å; L114-L128 HydrophobicContact CD1-CD1 4.44Å; L114-L128 HydrophobicContact CD2-CD1 3.56Å; L114-L128 HydrophobicContact CG-CD1 3.48Å; L114-L128 VanDerWaalsContact CG-CD1 3.48Å; L128-L147 HydrophobicContact CB-CB 4.19Å; L128-L147 HydrophobicContact CD2-CB 3.86Å; L128-L147 HydrophobicContact CD2-CD1 3.86Å; L128-L147 HydrophobicContact CD2-CG 4.44Å; L128-L147 HydrophobicContact CG-CB 3.88Å; L128-L147 HydrophobicContact CG-CD1 4.06Å; L128-L147 HydrophobicContact CG-CG 4.36Å; L128-L147 PolarHBondContact O-N 3.31Å
129Y98.4Very high96.1Very high26 Ų2674.7 Ų74.710%0.10242%0.417CS..EExtended strand (participates in β ladder)trans-100.8132175.4-55.2-80.4000110L95 Y112 I113 N127 V146L95-Y129 HydrophobicContact CD2-CD1 3.55Å; L95-Y129 HydrophobicContact CD2-CD2 4.04Å; L95-Y129 HydrophobicContact CD2-CE1 3.73Å; L95-Y129 HydrophobicContact CD2-CE2 4.18Å; L95-Y129 HydrophobicContact CD2-CG 3.72Å; Y112-Y129 CarbonylContact C-O 3.6Å; Y112-Y129 VanDerWaalsContact CA-O 3.3Å; Y112-Y129 WeakPolarHBondContact CA-O 3.22Å; I113-Y129 HydrophobicContact CB-CD2 4.44Å; I113-Y129 HydrophobicContact CG2-CD2 4.48Å; I113-Y129 PolarHBondContact N-O 3.41Å; I113-Y129 PolarHBondContact O-N 3.44Å; N127-Y129 HydrophobicContact CB-CD2 4.47Å; N127-Y129 HydrophobicContact CB-CE1 4.46Å; N127-Y129 HydrophobicContact CB-CE2 3.76Å; N127-Y129 PolarHBondContact ND2-OH 3.17Å; Y129-V146 HydrophobicContact CD1-CG2 3.93Å; Y129-V146 HydrophobicContact CE1-CG2 3.86Å
130R98.7Very high96.1Very high93 Ų9374 Ų7435%0.35142%0.416SS..EExtended strand (participates in β ladder)trans-109.5115.2169.4179.4-171.166.1-174.7-1.4108.6T110 I111 Y112 C144 T145 L147T110-R130 HydrophobicContact CG2-CG 3.4Å; T110-R130 VanDerWaalsContact CG2-CG 3.4Å; I111-R130 WeakPolarHBondContact O-CA 3.34Å; Y112-R130 HydrophobicContact CD1-CB 4.03Å; Y112-R130 HydrophobicContact CD1-CG 4.06Å; Y112-R130 HydrophobicContact CE1-CB 3.96Å; Y112-R130 HydrophobicContact CE1-CG 3.6Å; R130-C144 CarbonylContact O-C 3.59Å; R130-C144 WeakPolarHBondContact O-CA 3.3Å; R130-T145 PolarHBondContact N-O 3.33Å; R130-T145 PolarHBondContact NE-OG1 3.43Å; R130-T145 PolarHBondContact NH2-OG1 2.96Å; R130-T145 PolarHBondContact O-N 2.72Å; R130-T145 PolarHBondContact O-OG1 3.44Å; R130-L147 HydrophobicContact CB-CD1 3.87Å; R130-L147 HydrophobicContact CB-CG 4.1Å
131I98.7Very high96.1Very high0 Ų072.1 Ų72.10%040%0.4CS..EExtended strand (participates in β ladder)trans-110120.6179-55.2167.2000108.4V77 L92 L95 T110 I111 I113 V142 N143 C144V77-I131 HydrophobicContact CG2-CD1 4.03Å; L92-I131 HydrophobicContact CD1-CG2 4.23Å; L95-I131 HydrophobicContact CD1-CD1 4.2Å; T110-I131 CarbonylContact C-O 3.55Å; T110-I131 WeakPolarHBondContact CA-O 3.08Å; T110-I131 WeakPolarHBondContact CG2-O 3.45Å; I111-I131 HydrophobicContact CD1-CB 4.14Å; I111-I131 HydrophobicContact CD1-CD1 3.97Å; I111-I131 HydrophobicContact CG1-CB 3.64Å; I111-I131 HydrophobicContact CG1-CD1 4.28Å; I111-I131 HydrophobicContact CG1-CG1 4.37Å; I111-I131 HydrophobicContact CG1-CG2 4.35Å; I111-I131 PolarHBondContact N-O 3.37Å; I111-I131 PolarHBondContact O-N 3.33Å; I113-I131 HydrophobicContact CG1-CD1 4.28Å; I131-V142 HydrophobicContact CG2-CG1 3.56Å; I131-N143 CarbonylContact C-O 3.51Å; I131-N143 VanDerWaalsContact CA-O 3.29Å; I131-N143 WeakPolarHBondContact CA-O 3.19Å; I131-C144 HydrophobicContact CG1-CB 4.15Å
132R98.6Very high96.2Very high146 Ų14670.5 Ų70.555%0.55139%0.388SS*.EExtended strand (participates in β ladder)trans-104.5136.7178-171.9175.5-171.61742.8110.3D109 V142 N143D109-R132 IonicContact OD2-CZ 3.31Å; D109-R132 VanDerWaalsContact OD2-CZ 3.31Å; D109-R132 IonicContact OD2-NE 4Å; D109-R132 PolarHBondContact OD2-NE 3.27Å; D109-R132 IonicContact OD2-NH2 2.93Å; D109-R132 PolarHBondContact OD2-NH2 2.87Å; R132-V142 WeakPolarHBondContact O-CA 3.32Å; R132-N143 PolarHBondContact N-O 2.81Å; R132-N143 PolarHBondContact O-N 3.16Å
133V98.6Very high96.2Very high0 Ų069.7 Ų69.70%038%0.383CS..EExtended strand (participates in β ladder)trans-121.8118.7-178.8-177.60000109.9V40 V47 V49 L79 D109 L135 A141 V142V40-V133 HydrophobicContact CG2-CB 4.03Å; V40-V133 HydrophobicContact CG2-CG1 4.25Å; V40-V133 HydrophobicContact CG2-CG2 4.27Å; V47-V133 HydrophobicContact CG1-CG1 4.13Å; V49-V133 HydrophobicContact CG2-CG2 4Å; L79-V133 HydrophobicContact CD1-CG1 4.19Å; L79-V133 HydrophobicContact CD2-CG1 4.13Å; L79-V133 HydrophobicContact CD2-CG2 4.19Å; D109-V133 PolarHBondContact O-N 3.12Å; V133-L135 HydrophobicContact CG1-CD2 4.01Å; V133-L135 HydrophobicContact CG1-CG 4.27Å; V133-A141 CarbonylContact C-O 3.54Å; V133-A141 WeakPolarHBondContact CA-O 3.49Å; V133-V142 HydrophobicContact CG2-CG1 4.43Å; V133-V142 HydrophobicContact CG2-CG2 4.48Å
134D97.4Very high96.2Very high45 Ų4564.9 Ų64.924%0.24136%0.359CS..EExtended strand (participates in β ladder)trans-104.6135.1171-166.323.4000110.8S42 R43 P136 P140 A141S42-D134 PolarHBondContact OG-OD1 3.05Å; R43-D134 IonicContact CZ-OD1 3.59Å; R43-D134 IonicContact CZ-OD2 3.58Å; R43-D134 IonicContact NE-OD1 2.77Å; R43-D134 PolarHBondContact NE-OD1 2.85Å; R43-D134 IonicContact NE-OD2 3.45Å; R43-D134 PolarHBondContact NE-OD2 2.55Å; R43-D134 IonicContact NH2-OD1 3.52Å; R43-D134 IonicContact NH2-OD2 2.85Å; R43-D134 PolarHBondContact NH2-OD2 3.38Å; D134-P136 VanDerWaalsContact C-CD 3.44Å; D134-P136 VanDerWaalsContact O-CD 3.23Å; D134-P136 WeakPolarHBondContact O-CD 3.15Å; D134-P140 WeakPolarHBondContact O-CA 3.41Å; D134-A141 HydrophobicContact CB-CB 4.38Å; D134-A141 PolarHBondContact N-O 2.98Å; D134-A141 PolarHBondContact O-N 3.42Å
135L96.4Very high96.2Very high15 Ų1557.9 Ų57.98%0.07934%0.337CS..  trans-118.474.6-175.9-62.1176.9000110.8S42 K45 V47 V133 P140S42-L135 PolarHBondContact OG-N 3.46Å; K45-L135 HydrophobicContact CB-CB 4.22Å; K45-L135 HydrophobicContact CB-CD1 3.8Å; K45-L135 HydrophobicContact CD-CB 4.2Å; V47-L135 HydrophobicContact CB-CD1 4.15Å; V47-L135 HydrophobicContact CG1-CD1 3.97Å; V47-L135 HydrophobicContact CG1-CD2 4.15Å; V133-L135 HydrophobicContact CG1-CD2 4.01Å; V133-L135 HydrophobicContact CG1-CG 4.27Å; L135-P140 HydrophobicContact CD2-CB 3.91Å; L135-P140 HydrophobicContact CD2-CG 3.97Å
136P94.7Very high96.3Very high46 Ų4660.2 Ų60.230%0.29935%0.351SS..  trans-67.2-174173.231.6-36000111.7K45 D134 G138 T139K45-P136 PolarHBondContact NZ-O 3.01Å; D134-P136 VanDerWaalsContact C-CD 3.44Å; D134-P136 VanDerWaalsContact O-CD 3.23Å; D134-P136 WeakPolarHBondContact O-CD 3.15Å; P136-G138 VanDerWaalsContact C-N 3.25Å; P136-T139 VanDerWaalsContact CG-O 3.24Å; P136-T139 WeakPolarHBondContact CG-O 3.27Å
137L89.3Confident96.5Very high170 Ų17057.4 Ų57.489%0.8932%0.321SS*.SBendtrans-69.6-24.9171.5-72.4173.9000112.6
138G90.9Very high96.4Very high57 Ų5763.1 Ų63.159%0.58836%0.362SS*.SBendtrans-94.9-145.2175.400000113P136P136-G138 VanDerWaalsContact C-N 3.25Å
139T92.8Very high96.3Very high114 Ų11464.2 Ų64.270%0.69937%0.369SS*.SBendtrans-62.5133-178.5-49.70000111.9P136P136-T139 VanDerWaalsContact CG-O 3.24Å; P136-T139 WeakPolarHBondContact CG-O 3.27Å
140P96.4Very high96.2Very high41 Ų4166.2 Ų66.227%0.26638%0.383SS..  trans-56.6147.8170.8-2635.4000112.8L79 D134 L135L79-P140 HydrophobicContact CD1-CB 3.52Å; L79-P140 HydrophobicContact CD1-CG 4.04Å; D134-P140 WeakPolarHBondContact O-CA 3.41Å; L135-P140 HydrophobicContact CD2-CB 3.91Å; L135-P140 HydrophobicContact CD2-CG 3.97Å
141A97Very high96Very high55 Ų5564.7 Ų64.746%0.45539%0.385SS..EExtended strand (participates in β ladder)trans-112132.9170.500000109.6V133 D134V133-A141 CarbonylContact C-O 3.54Å; V133-A141 WeakPolarHBondContact CA-O 3.49Å; D134-A141 HydrophobicContact CB-CB 4.38Å; D134-A141 PolarHBondContact N-O 2.98Å; D134-A141 PolarHBondContact O-N 3.42Å
142V98.3Very high95.9Very high22 Ų2268.5 Ų68.513%0.13341%0.407CS..EExtended strand (participates in β ladder)trans-124129.9178-172.50000108.2V77 L79 Y90 L92 I131 R132 V133V77-V142 HydrophobicContact CG1-CG1 4.49Å; L79-V142 HydrophobicContact CD1-CG2 3.74Å; L79-V142 HydrophobicContact CD2-CG2 4.21Å; L79-V142 HydrophobicContact CG-CG2 4.11Å; Y90-V142 HydrophobicContact CD1-CB 4.13Å; Y90-V142 HydrophobicContact CD1-CG2 3.86Å; Y90-V142 HydrophobicContact CD2-CG2 4.03Å; Y90-V142 HydrophobicContact CE1-CG2 4Å; Y90-V142 HydrophobicContact CE2-CG2 4.19Å; Y90-V142 HydrophobicContact CG-CB 4.27Å; Y90-V142 HydrophobicContact CG-CG2 3.88Å; L92-V142 HydrophobicContact CD1-CG1 3.77Å; L92-V142 HydrophobicContact CD2-CB 4.33Å; L92-V142 HydrophobicContact CD2-CG1 4.16Å; I131-V142 HydrophobicContact CG2-CG1 3.56Å; R132-V142 WeakPolarHBondContact O-CA 3.32Å; V133-V142 HydrophobicContact CG2-CG1 4.43Å; V133-V142 HydrophobicContact CG2-CG2 4.48Å
143N98.2Very high95.7Very high98 Ų9863.6 Ų63.652%0.52440%0.398SS..EExtended strand (participates in β ladder)trans-133.7133.1-179.9-170.5-6000110I131 R132I131-N143 CarbonylContact C-O 3.51Å; I131-N143 VanDerWaalsContact CA-O 3.29Å; I131-N143 WeakPolarHBondContact CA-O 3.19Å; R132-N143 PolarHBondContact N-O 2.81Å; R132-N143 PolarHBondContact O-N 3.16Å
144C98.5Very high95.5Very high0 Ų067.9 Ų67.90%043%0.425CS..EExtended strand (participates in β ladder)trans-108.8144176.4-174.20000110.3L92 E94 R130 I131L92-C144 HydrophobicContact CB-CB 4.19Å; L92-C144 HydrophobicContact CD1-CB 3.81Å; E94-C144 HydrophobicContact CB-CB 4.02Å; E94-C144 VanDerWaalsContact CD-O 3.23Å; E94-C144 HydrophobicContact CG-CB 4.19Å; E94-C144 WeakPolarHBondContact OE2-CB 3.5Å; R130-C144 CarbonylContact O-C 3.59Å; R130-C144 WeakPolarHBondContact O-CA 3.3Å; I131-C144 HydrophobicContact CG1-CB 4.15Å
145T98.3Very high95.4Very high43 Ų4369.5 Ų69.526%0.26444%0.438SS..EExtended strand (participates in β ladder)trans-137134171.944.20000108.6R130R130-T145 PolarHBondContact N-O 3.33Å; R130-T145 PolarHBondContact NE-OG1 3.43Å; R130-T145 PolarHBondContact NH2-OG1 2.96Å; R130-T145 PolarHBondContact O-N 2.72Å; R130-T145 PolarHBondContact O-OG1 3.44Å
146V97.6Very high95.3Very high78 Ų7873.7 Ų73.747%0.47347%0.466SS..EExtended strand (participates in β ladder)trans-82.6127.4172.2-170.30000108.1E94 Y129E94-V146 HydrophobicContact CB-CG2 4.15Å; Y129-V146 HydrophobicContact CD1-CG2 3.93Å; Y129-V146 HydrophobicContact CE1-CG2 3.86Å
147L97Very high95.4Very high46 Ų4676 Ų7624%0.24148%0.479CS..EExtended strand (participates in β ladder)trans-100.4143.4174.7-57.7-178.5000109.5Y112 L128 R130Y112-L147 HydrophobicContact CD1-CD1 4.25Å; Y112-L147 HydrophobicContact CE1-CD1 4.04Å; L128-L147 HydrophobicContact CB-CB 4.19Å; L128-L147 HydrophobicContact CD2-CB 3.86Å; L128-L147 HydrophobicContact CD2-CD1 3.86Å; L128-L147 HydrophobicContact CD2-CG 4.44Å; L128-L147 HydrophobicContact CG-CB 3.88Å; L128-L147 HydrophobicContact CG-CD1 4.06Å; L128-L147 HydrophobicContact CG-CG 4.36Å; L128-L147 PolarHBondContact O-N 3.31Å; R130-L147 HydrophobicContact CB-CD1 3.87Å; R130-L147 HydrophobicContact CB-CG 4.1Å
148P90.1Very high95.9Very high188 Ų18867.5 Ų67.5100%1.22144%0.442SS*.  trans-71.80176.631.8-35.3000112.9

Retrieved 148 of 148 residues in 201.7 ms (Link to these results)

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