A0A5K4FGV1_SCHMA Loading...

Proteasome assembly chaperone 3

AlphaFold DB , UniProt , Accession A0A5K4FGV1, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 121 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
1M47.8Very low84.2Confident230 Ų23097.9 Ų97.9100%1.13354%0.535SS*.  0123.30-84.3-176.8-95.400107.3L3M1-L3 PolarHBondContact O-N 3.39Å
2N71.1Confident85.1Confident172 Ų17297.8 Ų97.892%0.9253%0.528SS*.  trans-80.8114.4171.1-70.4-14.1000107.3
3L76.5Confident85.9Confident152 Ų15290.2 Ų90.280%0.79649%0.487SS*.PPolyproline II helixtrans-77.7146.4174.1-68.3170.1000109.1M1M1-L3 PolarHBondContact O-N 3.39Å
4P81.8Confident86.5Confident48 Ų4890 Ų9031%0.31249%0.493SS..PPolyproline II helixtrans-62.3143.4173.927.4-33.7000110.1V6 I25 E26 F27P4-V6 PolarHBondContact O-N 2.86Å; P4-I25 HydrophobicContact CB-CG2 3.82Å; P4-I25 HydrophobicContact CG-CG2 4.09Å; P4-E26 WeakPolarHBondContact CA-O 3.1Å; P4-E26 WeakPolarHBondContact CB-O 3.3Å; P4-F27 HydrophobicContact CB-CD1 4.11Å; P4-F27 HydrophobicContact CB-CE1 4.04Å; P4-F27 HydrophobicContact CG-CE1 4.01Å; P4-F27 HydrophobicContact CG-CZ 4.48Å
5A85.3Confident87.1Confident51 Ų5190.3 Ų90.342%0.42150%0.498SS..EExtended strand (participates in β ladder)trans-68.4124.4172.300000108.6I25 E26A5-I25 WeakPolarHBondContact O-CA 3.34Å; A5-E26 HydrophobicContact CB-CB 4.48Å; A5-E26 PolarHBondContact O-N 3.43Å
6V91.8Very high87.4Confident90 Ų9086.8 Ų86.855%0.54548%0.484SS..EExtended strand (participates in β ladder)trans-113.3119.9177.4-178.20000108.2P4 V23 Q24 I25P4-V6 PolarHBondContact O-N 2.86Å; V6-V23 HydrophobicContact CG1-CG1 3.99Å; V6-Q24 WeakPolarHBondContact CA-O 3.09Å; V6-I25 HydrophobicContact CG1-CG1 4.41Å; V6-I25 HydrophobicContact CG2-CG1 4.36Å; V6-I25 HydrophobicContact CG2-CG2 4.23Å
7L92.6Very high87.8Confident46 Ų4684.9 Ų84.924%0.24149%0.49CS..EExtended strand (participates in β ladder)trans-121.7139.7179.5-57.5163.7000109.3V23 Q24 I118L7-V23 CarbonylContact O-C 3.59Å; L7-V23 VanDerWaalsContact O-CA 3.3Å; L7-V23 WeakPolarHBondContact O-CA 3.44Å; L7-Q24 HydrophobicContact CB-CB 4.47Å; L7-Q24 PolarHBondContact N-O 3.37Å; L7-Q24 PolarHBondContact O-N 2.8Å; L7-I118 HydrophobicContact CB-CG2 3.16Å; L7-I118 HydrophobicContact CD1-CG2 3.3Å; L7-I118 HydrophobicContact CD2-CG2 4.27Å; L7-I118 HydrophobicContact CG-CG2 3.7Å
8K93.7Very high88.1Confident147 Ų14782.1 Ų82.164%0.63947%0.471SS*.EExtended strand (participates in β ladder)trans-136.1136.4-173.4177.7-178.3174.4-177.50110.1T21 V22 V23K8-T21 HydrophobicContact CD-CG2 4.3Å; K8-T21 HydrophobicContact CG-CG2 4.02Å; K8-V22 CarbonylContact C-O 3.53Å; K8-V22 WeakPolarHBondContact CA-O 3.27Å; K8-V23 HydrophobicContact CG-CG2 4.3Å
9S95.1Very high88.5Confident37 Ų3781.5 Ų81.526%0.25947%0.469SS..EExtended strand (participates in β ladder)trans-140.4158.6167.7-175.70000110.6V22 I118S9-V22 PolarHBondContact N-O 3.15Å; S9-V22 PolarHBondContact O-N 3.24Å; S9-I118 VanDerWaalsContact CB-CD1 3.49Å
10T95.3Very high88.8Confident84 Ų8477.4 Ų77.452%0.51545%0.445SS..EExtended strand (participates in β ladder)trans-120.9128.7175.3-59.30000107.2T19 V20T10-T19 HydrophobicContact CG2-CG2 3.28Å; T10-V20 WeakPolarHBondContact CA-O 3.39Å
11L95.1Very high89.2Confident20 Ų2075.2 Ų75.211%0.10543%0.433CS..EExtended strand (participates in β ladder)trans-133.2149.1176.570.6150000111.9L13 T19 V20 V22 L110 I111 V114L11-L13 HydrophobicContact CD1-CD2 3.55Å; L11-L13 HydrophobicContact CG-CD2 4.06Å; L11-T19 WeakPolarHBondContact O-CA 3.41Å; L11-T19 WeakPolarHBondContact O-CG2 3.45Å; L11-V20 HydrophobicContact CD2-CG2 3.55Å; L11-V20 HydrophobicContact CG-CG2 3.73Å; L11-V20 PolarHBondContact N-O 3.08Å; L11-V20 PolarHBondContact O-N 3.27Å; L11-V22 HydrophobicContact CD2-CB 4.27Å; L11-V22 HydrophobicContact CD2-CG2 3.32Å; L11-L110 HydrophobicContact CD1-CB 3.98Å; L11-I111 HydrophobicContact CD1-CG1 4.02Å; L11-V114 HydrophobicContact CB-CG2 4.41Å; L11-V114 HydrophobicContact CD1-CG2 4.24Å; L11-V114 HydrophobicContact CD2-CG1 4.45Å; L11-V114 HydrophobicContact CD2-CG2 4.38Å
12Q95.5Very high91.5Very high96 Ų9664.2 Ų64.245%0.44938%0.379SS..EExtended strand (participates in β ladder)trans-84.3130.4168.4-174.663.822.700108.9P14 F18 T19Q12-P14 VanDerWaalsContact O-CD 3.27Å; Q12-P14 WeakPolarHBondContact O-CD 3.24Å; Q12-F18 PolarHBondContact NE2-O 3.43Å; Q12-T19 PolarHBondContact OE1-OG1 3.45Å
13L95.3Very high92.6Very high0 Ų057.4 Ų57.40%034%0.343CS..EExtended strand (participates in β ladder)trans-92.1103.7169.7-58.6-171.1000108.2L11 V15 A16 G17 F18 V20 F99 I103 D107 I111L11-L13 HydrophobicContact CD1-CD2 3.55Å; L11-L13 HydrophobicContact CG-CD2 4.06Å; L13-V15 PolarHBondContact O-N 3.1Å; L13-A16 HydrophobicContact CB-CB 4.01Å; L13-G17 PolarHBondContact O-N 3.48Å; L13-F18 HydrophobicContact CD1-CD2 4.34Å; L13-F18 HydrophobicContact CD1-CE2 3.7Å; L13-F18 HydrophobicContact CD1-CZ 4.28Å; L13-F18 PolarHBondContact N-O 2.92Å; L13-V20 HydrophobicContact CD1-CG1 3.67Å; L13-V20 HydrophobicContact CD1-CG2 4.15Å; L13-V20 HydrophobicContact CD2-CG2 4.07Å; L13-V20 HydrophobicContact CG-CG1 4.08Å; L13-V20 HydrophobicContact CG-CG2 3.99Å; L13-F99 HydrophobicContact CD1-CZ 4.44Å; L13-I103 HydrophobicContact CD1-CD1 3.5Å; L13-I103 HydrophobicContact CD1-CG2 4.44Å; L13-D107 HydrophobicContact CB-CB 4.27Å; L13-D107 HydrophobicContact CD1-CB 4.48Å; L13-D107 HydrophobicContact CD2-CB 4.21Å; L13-I111 HydrophobicContact CD1-CD1 4.25Å; L13-I111 HydrophobicContact CD2-CD1 4.1Å; L13-I111 HydrophobicContact CD2-CG1 3.9Å
14P94.6Very high93.5Very high87 Ų8750.2 Ų50.257%0.56531%0.306SS*.THydrogen-bonded Turntrans-65.1-35.6-170.524.3-34.8000113.3Q12 D107 L110Q12-P14 VanDerWaalsContact O-CD 3.27Å; Q12-P14 WeakPolarHBondContact O-CD 3.24Å; P14-D107 WeakPolarHBondContact CD-OD1 3.3Å; P14-D107 WeakPolarHBondContact CG-OD1 3.48Å; P14-L110 VanDerWaalsContact CD-CD1 3.43Å; P14-L110 HydrophobicContact CG-CD1 3.72Å
15V94.5Very high94.1Very high95 Ų9549.5 Ų49.558%0.57630%0.299SS*.THydrogen-bonded Turntrans-80.6-42.1-178.4-1770000110.9L13 G17 C104 D107L13-V15 PolarHBondContact O-N 3.1Å; V15-G17 VanDerWaalsContact C-N 3.28Å; V15-G17 PolarHBondContact O-N 3.07Å; V15-C104 WeakPolarHBondContact CB-SG 3.4Å; V15-C104 HydrophobicContact CG1-CB 4.26Å; V15-D107 WeakPolarHBondContact CB-OD2 3.47Å; V15-D107 PolarHBondContact N-OD1 3.41Å; V15-D107 VanDerWaalsContact N-OD1 3.15Å; V15-D107 PolarHBondContact N-OD2 3.42Å
16A92.6Very high94.5Very high33 Ų3349.5 Ų49.527%0.27329%0.291SS..THydrogen-bonded Turntrans-73.1-20.3177.700000113.2L13 F18 D107L13-A16 HydrophobicContact CB-CB 4.01Å; A16-F18 HydrophobicContact CB-CD1 3.88Å; A16-F18 HydrophobicContact CB-CE1 3.37Å; A16-F18 HydrophobicContact CB-CE2 4.32Å; A16-F18 HydrophobicContact CB-CZ 3.61Å; A16-F18 VanDerWaalsContact O-CD1 3.24Å; A16-F18 WeakPolarHBondContact O-CD1 3.47Å; A16-D107 WeakPolarHBondContact CB-OD2 3.46Å; A16-D107 PolarHBondContact N-OD2 3.35Å
17G93.6Very high94.5Very high56 Ų5649.6 Ų49.658%0.57728%0.284SS*.THydrogen-bonded Turntrans79.216.2173.100000115.1L13 V15L13-G17 PolarHBondContact O-N 3.48Å; V15-G17 VanDerWaalsContact C-N 3.28Å; V15-G17 PolarHBondContact O-N 3.07Å
18F93.4Very high94.4Very high33 Ų3351.8 Ų51.815%0.14530%0.303CS..EExtended strand (participates in β ladder)trans-136.4159179.755.7-103.8000113.4Q12 L13 A16 V20 R37 F99 E101 I103Q12-F18 PolarHBondContact NE2-O 3.43Å; L13-F18 HydrophobicContact CD1-CD2 4.34Å; L13-F18 HydrophobicContact CD1-CE2 3.7Å; L13-F18 HydrophobicContact CD1-CZ 4.28Å; L13-F18 PolarHBondContact N-O 2.92Å; A16-F18 HydrophobicContact CB-CD1 3.88Å; A16-F18 HydrophobicContact CB-CE1 3.37Å; A16-F18 HydrophobicContact CB-CE2 4.32Å; A16-F18 HydrophobicContact CB-CZ 3.61Å; A16-F18 VanDerWaalsContact O-CD1 3.24Å; A16-F18 WeakPolarHBondContact O-CD1 3.47Å; F18-V20 HydrophobicContact CD2-CG1 3.68Å; F18-V20 HydrophobicContact CE2-CG1 3.51Å; F18-R37 HydrophobicContact CD2-CG 3.8Å; F18-R37 HydrophobicContact CE2-CG 3.96Å; F18-F99 HydrophobicContact CE2-CD1 4.16Å; F18-F99 AromaticContact CE2-CE1 3.89Å; F18-F99 HydrophobicContact CE2-CE1 3.89Å; F18-F99 HydrophobicContact CZ-CD1 4.14Å; F18-F99 HydrophobicContact CZ-CE1 4.26Å; F18-E101 HydrophobicContact CE1-CG 4.31Å; F18-E101 WeakPolarHBondContact CE1-OE1 3.25Å; F18-I103 HydrophobicContact CE2-CD1 4.12Å; F18-I103 HydrophobicContact CZ-CD1 3.72Å
19T95.2Very high94.3Very high71 Ų7149.8 Ų49.844%0.43630%0.299SS..EExtended strand (participates in β ladder)trans-84.9139.9173.8-470000110.7T10 L11 Q12T10-T19 HydrophobicContact CG2-CG2 3.28Å; L11-T19 WeakPolarHBondContact O-CA 3.41Å; L11-T19 WeakPolarHBondContact O-CG2 3.45Å; Q12-T19 PolarHBondContact OE1-OG1 3.45Å
20V96Very high94.3Very high0 Ų051.8 Ų51.80%030%0.304CS..EExtended strand (participates in β ladder)trans-121.1147.7170.6-59.40000110.8T10 L11 L13 F18 V22 I35 S36 R37 F99T10-V20 WeakPolarHBondContact CA-O 3.39Å; L11-V20 HydrophobicContact CD2-CG2 3.55Å; L11-V20 HydrophobicContact CG-CG2 3.73Å; L11-V20 PolarHBondContact N-O 3.08Å; L11-V20 PolarHBondContact O-N 3.27Å; L13-V20 HydrophobicContact CD1-CG1 3.67Å; L13-V20 HydrophobicContact CD1-CG2 4.15Å; L13-V20 HydrophobicContact CD2-CG2 4.07Å; L13-V20 HydrophobicContact CG-CG1 4.08Å; L13-V20 HydrophobicContact CG-CG2 3.99Å; F18-V20 HydrophobicContact CD2-CG1 3.68Å; F18-V20 HydrophobicContact CE2-CG1 3.51Å; V20-V22 HydrophobicContact CG2-CG2 4.25Å; V20-I35 HydrophobicContact CB-CG2 4.04Å; V20-I35 HydrophobicContact CG1-CG2 4.35Å; V20-I35 HydrophobicContact CG2-CG2 4.05Å; V20-S36 WeakPolarHBondContact CA-O 3.17Å; V20-R37 HydrophobicContact CG1-CG 4.23Å; V20-F99 HydrophobicContact CG1-CE1 3.77Å; V20-F99 HydrophobicContact CG1-CZ 4.21Å
21T96Very high94.3Very high31 Ų3147.9 Ų47.919%0.1928%0.28CS..EExtended strand (participates in β ladder)trans-96.3124.7163.7-60.20000108.5K8 V23 I35 S36K8-T21 HydrophobicContact CD-CG2 4.3Å; K8-T21 HydrophobicContact CG-CG2 4.02Å; T21-V23 HydrophobicContact CG2-CG2 3.93Å; T21-I35 WeakPolarHBondContact O-CA 3.37Å; T21-S36 PolarHBondContact N-O 3.14Å; T21-S36 PolarHBondContact O-N 3.35Å
22V96Very high94.3Very high0 Ų049.1 Ų49.10%029%0.286CS..EExtended strand (participates in β ladder)trans-103.4122.6172.4179.40000108.5K8 S9 L11 V20 V33 L34 I35 I111 L115K8-V22 CarbonylContact C-O 3.53Å; K8-V22 WeakPolarHBondContact CA-O 3.27Å; S9-V22 PolarHBondContact N-O 3.15Å; S9-V22 PolarHBondContact O-N 3.24Å; L11-V22 HydrophobicContact CD2-CB 4.27Å; L11-V22 HydrophobicContact CD2-CG2 3.32Å; V20-V22 HydrophobicContact CG2-CG2 4.25Å; V22-V33 HydrophobicContact CG1-CG1 4.44Å; V22-L34 CarbonylContact C-O 3.42Å; V22-L34 VanDerWaalsContact CA-O 3.27Å; V22-L34 WeakPolarHBondContact CA-O 3.33Å; V22-I35 HydrophobicContact CG2-CG1 4.37Å; V22-I35 HydrophobicContact CG2-CG2 4.13Å; V22-I111 HydrophobicContact CG2-CG2 4.24Å; V22-L115 HydrophobicContact CG1-CD2 3.48Å; V22-L115 VanDerWaalsContact CG1-CD2 3.48Å; V22-L115 HydrophobicContact CG1-CG 3.97Å
23V95.1Very high94.4Very high28 Ų2844.5 Ų44.517%0.1726%0.264CS..EExtended strand (participates in β ladder)trans-119.2127.3174.8-175.80000108.7V6 L7 K8 T21 I25 V33 L34V6-V23 HydrophobicContact CG1-CG1 3.99Å; L7-V23 CarbonylContact O-C 3.59Å; L7-V23 VanDerWaalsContact O-CA 3.3Å; L7-V23 WeakPolarHBondContact O-CA 3.44Å; K8-V23 HydrophobicContact CG-CG2 4.3Å; T21-V23 HydrophobicContact CG2-CG2 3.93Å; V23-I25 HydrophobicContact CG1-CD1 4.39Å; V23-I25 HydrophobicContact CG1-CG1 3.95Å; V23-V33 CarbonylContact O-C 3.52Å; V23-V33 VanDerWaalsContact O-CA 3.31Å; V23-V33 WeakPolarHBondContact O-CA 3.41Å; V23-L34 HydrophobicContact CB-CB 4.23Å; V23-L34 HydrophobicContact CB-CD1 3.95Å; V23-L34 HydrophobicContact CG1-CD1 4.1Å; V23-L34 PolarHBondContact N-O 3.44Å; V23-L34 PolarHBondContact O-N 2.9Å
24Q95.1Very high94.4Very high1 Ų145.7 Ų45.71%0.00527%0.271CS..EExtended strand (participates in β ladder)trans-109.7126.9171.5-177.1179.8-57.900108.9V6 L7 L31 M32 L115V6-Q24 WeakPolarHBondContact CA-O 3.09Å; L7-Q24 HydrophobicContact CB-CB 4.47Å; L7-Q24 PolarHBondContact N-O 3.37Å; L7-Q24 PolarHBondContact O-N 2.8Å; Q24-L31 HydrophobicContact CG-CD1 3.56Å; Q24-L31 HydrophobicContact CG-CG 4.21Å; Q24-M32 CarbonylContact C-O 3.56Å; Q24-M32 WeakPolarHBondContact CA-O 3.45Å; Q24-L115 HydrophobicContact CB-CD2 4.26Å
25I94.8Very high94.5Very high33 Ų3341.6 Ų41.617%0.16924%0.244CC..EExtended strand (participates in β ladder)trans-121.7117.3176.6-49.5177.3000108.1P4 A5 V6 V23 F27 M32 L34P4-I25 HydrophobicContact CB-CG2 3.82Å; P4-I25 HydrophobicContact CG-CG2 4.09Å; A5-I25 WeakPolarHBondContact O-CA 3.34Å; V6-I25 HydrophobicContact CG1-CG1 4.41Å; V6-I25 HydrophobicContact CG2-CG1 4.36Å; V6-I25 HydrophobicContact CG2-CG2 4.23Å; V23-I25 HydrophobicContact CG1-CD1 4.39Å; V23-I25 HydrophobicContact CG1-CG1 3.95Å; I25-F27 HydrophobicContact CB-CE2 4.09Å; I25-F27 HydrophobicContact CG2-CD2 4.24Å; I25-F27 HydrophobicContact CG2-CE1 4.43Å; I25-F27 HydrophobicContact CG2-CE2 3.49Å; I25-F27 VanDerWaalsContact CG2-CE2 3.49Å; I25-F27 HydrophobicContact CG2-CZ 3.61Å; I25-M32 HydrophobicContact CB-CB 4.27Å; I25-M32 PolarHBondContact N-O 2.64Å; I25-M32 PolarHBondContact O-N 3.2Å; I25-L34 HydrophobicContact CD1-CD1 3.85Å; I25-L34 HydrophobicContact CG1-CD1 4.24Å
26E92.9Very high94.5Very high52 Ų5237.4 Ų37.424%0.24322%0.219CC..EExtended strand (participates in β ladder)trans-102.2118.1-176.2-172.3164.1-174.100111.9P4 A5 L31 K91P4-E26 WeakPolarHBondContact CA-O 3.1Å; P4-E26 WeakPolarHBondContact CB-O 3.3Å; A5-E26 HydrophobicContact CB-CB 4.48Å; A5-E26 PolarHBondContact O-N 3.43Å; E26-L31 HydrophobicContact CB-CD1 3.8Å; E26-L31 HydrophobicContact CG-CD1 4.03Å; E26-K91 VanDerWaalsContact CG-NZ 3.26Å; E26-K91 IonicContact OE1-NZ 2.74Å; E26-K91 PolarHBondContact OE1-NZ 2.86Å
27F91.9Very high94.5Very high92 Ų9237.8 Ų37.840%0.40421%0.213SC..  trans-103.9179.9172.1-59-88.1000110.2P4 I25 H30 M32 K91P4-F27 HydrophobicContact CB-CD1 4.11Å; P4-F27 HydrophobicContact CB-CE1 4.04Å; P4-F27 HydrophobicContact CG-CE1 4.01Å; P4-F27 HydrophobicContact CG-CZ 4.48Å; I25-F27 HydrophobicContact CB-CE2 4.09Å; I25-F27 HydrophobicContact CG2-CD2 4.24Å; I25-F27 HydrophobicContact CG2-CE1 4.43Å; I25-F27 HydrophobicContact CG2-CE2 3.49Å; I25-F27 VanDerWaalsContact CG2-CE2 3.49Å; I25-F27 HydrophobicContact CG2-CZ 3.61Å; F27-H30 CarbonylContact C-O 3.58Å; F27-H30 WeakPolarHBondContact CA-O 3.46Å; F27-H30 HydrophobicContact CB-CB 4.21Å; F27-H30 WeakPolarHBondContact CB-O 3.37Å; F27-H30 HydrophobicContact CD2-CB 4.39Å; F27-H30 PolarHBondContact N-O 3.03Å; F27-M32 HydrophobicContact CE2-CB 4.33Å; F27-K91 PolarHBondContact O-NZ 2.88Å
28S90.9Very high94.2Very high91 Ų9143 Ų4364%0.63623%0.228SC*.SBendtrans-56-54.9178.453.10000112K91S28-K91 WeakPolarHBondContact O-CE 3.45Å; S28-K91 PolarHBondContact O-NZ 3.26Å
29D92.2Very high94Very high105 Ų10544.2 Ų44.256%0.56125%0.25SC*.SBendtrans-116.2-3.3-170.7-50.4-62.5000112.9K91 T92D29-K91 WeakPolarHBondContact O-CA 3.47Å; D29-K91 WeakPolarHBondContact O-CB 3.48Å; D29-T92 PolarHBondContact O-N 3.16Å
30H94.2Very high93.8Very high80 Ų8046.3 Ų46.337%0.3726%0.256SS..EExtended strand (participates in β ladder)trans-128.5147.8-175.3-59.879.9000111.3F27 T92 L94F27-H30 CarbonylContact C-O 3.58Å; F27-H30 WeakPolarHBondContact CA-O 3.46Å; F27-H30 HydrophobicContact CB-CB 4.21Å; F27-H30 WeakPolarHBondContact CB-O 3.37Å; F27-H30 HydrophobicContact CD2-CB 4.39Å; F27-H30 PolarHBondContact N-O 3.03Å; H30-T92 CarbonylContact C-O 3.6Å; H30-T92 VanDerWaalsContact CA-O 3.25Å; H30-T92 WeakPolarHBondContact CA-O 3.38Å; H30-L94 HydrophobicContact CB-CD1 4.24Å
31L95.2Very high93.6Very high2 Ų251.2 Ų51.21%0.0128%0.281CS..EExtended strand (participates in β ladder)trans-125.7118.3169.1-172.666000108.3Q24 E26 L87 T89 T92 I93 L94Q24-L31 HydrophobicContact CG-CD1 3.56Å; Q24-L31 HydrophobicContact CG-CG 4.21Å; E26-L31 HydrophobicContact CB-CD1 3.8Å; E26-L31 HydrophobicContact CG-CD1 4.03Å; L31-L87 HydrophobicContact CD2-CD1 3.64Å; L31-T89 HydrophobicContact CD2-CG2 4.42Å; L31-T92 PolarHBondContact N-O 3.5Å; L31-I93 HydrophobicContact CB-CG1 4.35Å; L31-I93 HydrophobicContact CD2-CD1 4.49Å; L31-I93 CarbonylContact O-C 3.51Å; L31-I93 VanDerWaalsContact O-CA 3.29Å; L31-I93 WeakPolarHBondContact O-CA 3.14Å; L31-L94 PolarHBondContact O-N 3.02Å
32M95.7Very high93.4Very high45 Ų4550.4 Ų50.422%0.22228%0.279CS..EExtended strand (participates in β ladder)trans-100.5128.3176.8-171.1178.8-173.600109.4Q24 I25 F27 L34 L94Q24-M32 CarbonylContact C-O 3.56Å; Q24-M32 WeakPolarHBondContact CA-O 3.45Å; I25-M32 HydrophobicContact CB-CB 4.27Å; I25-M32 PolarHBondContact N-O 2.64Å; I25-M32 PolarHBondContact O-N 3.2Å; F27-M32 HydrophobicContact CE2-CB 4.33Å; M32-L34 HydrophobicContact CE-CD1 4.23Å; M32-L34 HydrophobicContact CE-CD2 3.85Å; M32-L34 HydrophobicContact CE-CG 4Å; M32-L34 HydrophobicContact CG-CD1 4.1Å; M32-L34 HydrophobicContact CG-CG 4.43Å; M32-L34 HydrophobicContact SD-CD1 4.2Å; M32-L94 CarbonylContact C-O 3.52Å; M32-L94 WeakPolarHBondContact CA-O 3.5Å; M32-L94 HydrophobicContact CG-CB 4.39Å
33V96.8Very high93.3Very high0 Ų051 Ų510%028%0.282CS..EExtended strand (participates in β ladder)trans-118.4118.2175.7178.60000107.9V22 V23 I35 I83 L87 I93 L94 V95 S96 L115V22-V33 HydrophobicContact CG1-CG1 4.44Å; V23-V33 CarbonylContact O-C 3.52Å; V23-V33 VanDerWaalsContact O-CA 3.31Å; V23-V33 WeakPolarHBondContact O-CA 3.41Å; V33-I35 HydrophobicContact CG1-CD1 4.27Å; V33-I35 HydrophobicContact CG1-CG1 3.96Å; V33-I83 HydrophobicContact CG2-CG2 4.41Å; V33-L87 HydrophobicContact CG2-CD1 4.35Å; V33-I93 HydrophobicContact CG2-CG2 4.42Å; V33-L94 PolarHBondContact N-O 2.73Å; V33-V95 HydrophobicContact CB-CG2 4.32Å; V33-V95 CarbonylContact O-C 3.54Å; V33-V95 VanDerWaalsContact O-CA 3.3Å; V33-V95 WeakPolarHBondContact O-CA 3.47Å; V33-S96 PolarHBondContact O-N 2.74Å; V33-L115 HydrophobicContact CG1-CD1 3.98Å; V33-L115 HydrophobicContact CG1-CD2 3.96Å; V33-L115 HydrophobicContact CG2-CD2 4.28Å
34L96.4Very high93.3Very high25 Ų2551.3 Ų51.313%0.13128%0.283CS..EExtended strand (participates in β ladder)trans-106.3126173.4-54100000109.1V22 V23 I25 M32 I41V22-L34 CarbonylContact C-O 3.42Å; V22-L34 VanDerWaalsContact CA-O 3.27Å; V22-L34 WeakPolarHBondContact CA-O 3.33Å; V23-L34 HydrophobicContact CB-CB 4.23Å; V23-L34 HydrophobicContact CB-CD1 3.95Å; V23-L34 HydrophobicContact CG1-CD1 4.1Å; V23-L34 PolarHBondContact N-O 3.44Å; V23-L34 PolarHBondContact O-N 2.9Å; I25-L34 HydrophobicContact CD1-CD1 3.85Å; I25-L34 HydrophobicContact CG1-CD1 4.24Å; M32-L34 HydrophobicContact CE-CD1 4.23Å; M32-L34 HydrophobicContact CE-CD2 3.85Å; M32-L34 HydrophobicContact CE-CG 4Å; M32-L34 HydrophobicContact CG-CD1 4.1Å; M32-L34 HydrophobicContact CG-CG 4.43Å; M32-L34 HydrophobicContact SD-CD1 4.2Å; L34-I41 HydrophobicContact CD2-CD1 4.27Å; L34-I41 HydrophobicContact CD2-CG1 4.1Å
35I96.4Very high93.4Very high0 Ų051.3 Ų51.30%028%0.282CS..EExtended strand (participates in β ladder)trans-122106176.2-48.1164.4000106.7V20 T21 V22 V33 V79 I83 V95 S96 T97 F99 I111V20-I35 HydrophobicContact CB-CG2 4.04Å; V20-I35 HydrophobicContact CG1-CG2 4.35Å; V20-I35 HydrophobicContact CG2-CG2 4.05Å; T21-I35 WeakPolarHBondContact O-CA 3.37Å; V22-I35 HydrophobicContact CG2-CG1 4.37Å; V22-I35 HydrophobicContact CG2-CG2 4.13Å; V33-I35 HydrophobicContact CG1-CD1 4.27Å; V33-I35 HydrophobicContact CG1-CG1 3.96Å; I35-V79 HydrophobicContact CD1-CG1 4.43Å; I35-I83 HydrophobicContact CD1-CD1 3.61Å; I35-V95 HydrophobicContact CD1-CG1 4.08Å; I35-S96 PolarHBondContact N-O 2.93Å; I35-T97 HydrophobicContact CB-CG2 4.33Å; I35-T97 HydrophobicContact CD1-CG2 4.17Å; I35-T97 WeakPolarHBondContact O-CA 3.26Å; I35-F99 HydrophobicContact CB-CZ 4.15Å; I35-F99 HydrophobicContact CG2-CE1 4.1Å; I35-F99 HydrophobicContact CG2-CE2 4.19Å; I35-F99 HydrophobicContact CG2-CZ 3.39Å; I35-I111 HydrophobicContact CD1-CD1 4.44Å; I35-I111 HydrophobicContact CD1-CG2 3.8Å; I35-I111 HydrophobicContact CG1-CG2 4.35Å; I35-I111 HydrophobicContact CG2-CD1 4.19Å
36S94.8Very high93.4Very high8 Ų851 Ų516%0.05628%0.281CS..EExtended strand (participates in β ladder)trans-132.4144.3-168.963.20000112.8V20 T21 G39 M40 D98V20-S36 WeakPolarHBondContact CA-O 3.17Å; T21-S36 PolarHBondContact N-O 3.14Å; T21-S36 PolarHBondContact O-N 3.35Å; S36-G39 WeakPolarHBondContact OG-CA 3.43Å; S36-M40 WeakPolarHBondContact CB-O 3.28Å; S36-D98 VanDerWaalsContact CA-OD1 3.32Å; S36-D98 WeakPolarHBondContact CA-OD1 3.47Å
37R92.4Very high93.5Very high41 Ų4148.6 Ų48.616%0.15527%0.27CS..SBendtrans-88.6123.4158.5-56175.3-67.9-173.3-8.7107.3F18 V20 G39 M40 D98 K100 E101F18-R37 HydrophobicContact CD2-CG 3.8Å; F18-R37 HydrophobicContact CE2-CG 3.96Å; V20-R37 HydrophobicContact CG1-CG 4.23Å; R37-G39 VanDerWaalsContact C-N 3.26Å; R37-G39 PolarHBondContact O-N 3.28Å; R37-M40 PolarHBondContact O-N 3.11Å; R37-D98 WeakPolarHBondContact CB-OD2 3.29Å; R37-D98 VanDerWaalsContact N-CG 3.33Å; R37-D98 PolarHBondContact N-OD1 2.87Å; R37-D98 PolarHBondContact N-OD2 3.2Å; R37-D98 IonicContact NE-OD1 3.74Å; R37-D98 IonicContact NE-OD2 3.42Å; R37-D98 PolarHBondContact NH2-O 2.81Å; R37-K100 VanDerWaalsContact NH2-N 3.2Å; R37-E101 IonicContact CZ-OE1 3.9Å; R37-E101 IonicContact NH1-OE1 2.68Å; R37-E101 PolarHBondContact NH1-OE1 2.91Å; R37-E101 IonicContact NH1-OE2 3.59Å; R37-E101 IonicContact NH2-OE1 2.73Å
38N86.6Confident93.5Very high164 Ų16448 Ų4888%0.87727%0.268SS*.THydrogen-bonded Turntrans59.428.7175.6-49.8-35.4000115.3M40N38-M40 VanDerWaalsContact C-N 3.33Å; N38-M40 PolarHBondContact O-N 2.87Å
39G88.6Confident93.1Very high59 Ų5946.8 Ų46.861%0.60825%0.252SS*.THydrogen-bonded Turntrans77.712.917400000115.4S36 R37S36-G39 WeakPolarHBondContact OG-CA 3.43Å; R37-G39 VanDerWaalsContact C-N 3.26Å; R37-G39 PolarHBondContact O-N 3.28Å
40M91.6Very high92.2Very high116 Ų11643.8 Ų43.857%0.57124%0.239SC*.  trans-74.3138.6176.7-64.8-67.3-67.300111.7S36 R37 N38 D98S36-M40 WeakPolarHBondContact CB-O 3.28Å; R37-M40 PolarHBondContact O-N 3.11Å; N38-M40 VanDerWaalsContact C-N 3.33Å; N38-M40 PolarHBondContact O-N 2.87Å; M40-D98 HydrophobicContact CB-CB 3.93Å
41I91.7Very high90.8Very high102 Ų10245.4 Ų45.452%0.52325%0.25SS..  trans-91130.4164.5-62.1178.2000107.1L34 I44L34-I41 HydrophobicContact CD2-CD1 4.27Å; L34-I41 HydrophobicContact CD2-CG1 4.1Å; I41-I44 HydrophobicContact CG2-CD1 4.33Å
42G92.1Very high89.2Confident14 Ų1449.6 Ų49.614%0.14427%0.272CS..  trans-118-134177.700000111.5F69 T97G42-F69 WeakPolarHBondContact O-CD1 3.22Å; G42-T97 CarbonylContact C-O 3.51Å; G42-T97 VanDerWaalsContact CA-O 3.24Å; G42-T97 WeakPolarHBondContact CA-O 3.35Å
43D93Very high87.3Confident14 Ų1453.2 Ų53.28%0.07530%0.299CS..EExtended strand (participates in β ladder)trans-64.5140.8179.5-49.6-34.1000109.7F69 G70 P71 K73 T76 S96 T97D43-F69 CarbonylContact C-O 3.51Å; D43-F69 VanDerWaalsContact CA-O 3.26Å; D43-F69 WeakPolarHBondContact CA-O 3.28Å; D43-G70 WeakPolarHBondContact OD1-CA 3.41Å; D43-P71 WeakPolarHBondContact OD1-CD 3.35Å; D43-K73 WeakPolarHBondContact OD2-CD 3.33Å; D43-K73 WeakPolarHBondContact OD2-CE 3.36Å; D43-K73 IonicContact OD2-NZ 3.73Å; D43-K73 PolarHBondContact OD2-NZ 3.46Å; D43-T76 HydrophobicContact CB-CG2 4.37Å; D43-S96 CarbonylContact O-C 3.54Å; D43-S96 WeakPolarHBondContact O-CA 3.28Å; D43-T97 PolarHBondContact N-O 2.82Å; D43-T97 PolarHBondContact O-N 3.44Å
44I96.6Very high85.4Confident34 Ų3455.5 Ų55.517%0.17431%0.313CS..EExtended strand (participates in β ladder)trans-116.9120.1177.5-56.5176.9000108.8I41 L68 F69 L94 V95I41-I44 HydrophobicContact CG2-CD1 4.33Å; I44-L68 PolarHBondContact O-N 3.38Å; I44-F69 HydrophobicContact CB-CB 4.02Å; I44-F69 HydrophobicContact CD1-CB 4.21Å; I44-F69 HydrophobicContact CG1-CB 4.13Å; I44-F69 PolarHBondContact N-O 2.96Å; I44-F69 PolarHBondContact O-N 2.74Å; I44-L94 HydrophobicContact CG2-CB 4.5Å; I44-L94 HydrophobicContact CG2-CD2 4.23Å; I44-V95 CarbonylContact C-O 3.55Å; I44-V95 WeakPolarHBondContact CA-O 3.33Å
45V96.4Very high83.6Confident0 Ų062.6 Ų62.60%035%0.349CS..EExtended strand (participates in β ladder)trans-113.6127.5176.1-176.70000109.5T76 T80 V95V45-T76 HydrophobicContact CG2-CG2 3.5Å; V45-T80 HydrophobicContact CB-CG2 4.13Å; V45-T80 HydrophobicContact CG1-CG2 3.79Å; V45-V95 PolarHBondContact N-O 3.19Å; V45-V95 PolarHBondContact O-N 3.03Å
46L96Very high82Confident28 Ų2869.3 Ų69.315%0.14739%0.385CS..EExtended strand (participates in β ladder)trans-86140.1172.1-172.470.3000109.5Q48 T65 R66 L68 T92 I93 L94L46-Q48 HydrophobicContact CD2-CG 4.29Å; L46-Q48 HydrophobicContact CG-CG 4.13Å; L46-T65 CarbonylContact O-C 3.52Å; L46-T65 WeakPolarHBondContact O-CA 3.33Å; L46-R66 WeakPolarHBondContact CB-O 3.4Å; L46-R66 PolarHBondContact N-O 3.15Å; L46-R66 PolarHBondContact O-N 2.93Å; L46-L68 HydrophobicContact CB-CD1 3.85Å; L46-L68 HydrophobicContact CB-CD2 4.25Å; L46-L68 HydrophobicContact CB-CG 3.87Å; L46-L68 HydrophobicContact CD1-CD1 4.26Å; L46-L68 HydrophobicContact CD2-CD1 4.43Å; L46-L68 HydrophobicContact CD2-CD2 4.37Å; L46-L68 HydrophobicContact CG-CD1 4.43Å; L46-T92 HydrophobicContact CD1-CG2 3.25Å; L46-T92 HydrophobicContact CG-CG2 4.16Å; L46-I93 CarbonylContact C-O 3.55Å; L46-L94 HydrophobicContact CD1-CD1 4.35Å; L46-L94 HydrophobicContact CD1-CD2 4.23Å; L46-L94 HydrophobicContact CD1-CG 3.84Å
47S94.8Very high80.1Confident0 Ų072.2 Ų72.20%042%0.417CS..EExtended strand (participates in β ladder)trans-133.2123.6176-170.60000110.2L63 D64 T84 I93S47-L63 WeakPolarHBondContact OG-CD1 3.2Å; S47-D64 WeakPolarHBondContact CA-O 3.39Å; S47-T84 VanDerWaalsContact CB-OG1 3.23Å; S47-T84 WeakPolarHBondContact CB-OG1 3.39Å; S47-T84 WeakPolarHBondContact OG-CB 3.22Å; S47-T84 WeakPolarHBondContact OG-CG2 3.35Å; S47-T84 PolarHBondContact OG-OG1 3.36Å; S47-I93 PolarHBondContact N-O 2.91Å; S47-I93 PolarHBondContact O-N 3.49Å
48Q90.8Very high78.4Confident79 Ų7977.3 Ų77.337%0.36944%0.442SS..EExtended strand (participates in β ladder)trans-133.7133.5-176.6-67.8-176.4-47.200109.7L46 S50 D64 T92L46-Q48 HydrophobicContact CD2-CG 4.29Å; L46-Q48 HydrophobicContact CG-CG 4.13Å; Q48-S50 PolarHBondContact O-N 3.33Å; Q48-D64 PolarHBondContact N-O 3.45Å; Q48-D64 PolarHBondContact O-N 2.87Å; Q48-T92 HydrophobicContact CG-CG2 3.64Å; Q48-T92 PolarHBondContact NE2-OG1 3.05Å
49K83.7Confident76.8Confident66 Ų6673.5 Ų73.529%0.28743%0.425SS..EExtended strand (participates in β ladder)trans-72.3111168.7-71.8-180175175.40107.2L63 D88 T89K49-L63 HydrophobicContact CG-CD1 4.16Å; K49-D88 IonicContact NZ-OD1 2.64Å; K49-D88 PolarHBondContact NZ-OD1 2.86Å; K49-T89 VanDerWaalsContact CE-O 3.23Å; K49-T89 WeakPolarHBondContact CE-O 3.04Å; K49-T89 PolarHBondContact NZ-O 2.67Å
50S72.4Confident75.2Confident43 Ų4373.3 Ų73.330%0.30141%0.414SS..EExtended strand (participates in β ladder)trans-84.4125.4174.2-170.90000108.9Q48 L52 D62Q48-S50 PolarHBondContact O-N 3.33Å; S50-L52 VanDerWaalsContact C-N 3.3Å; S50-L52 PolarHBondContact O-N 3.03Å; S50-L52 WeakPolarHBondContact OG-CD1 3.47Å; S50-D62 PolarHBondContact N-O 2.87Å
51N65.4Low73.8Confident113 Ų11373.5 Ų73.560%0.60441%0.413SS*.EExtended strand (participates in β ladder)trans-86.777170.3-66.6-30.7000107.7
52L60.6Low72.9Confident90 Ų9073.3 Ų73.347%0.47141%0.413SS..EExtended strand (participates in β ladder)trans-76.1127.9167.6-82.6105.6000109.1S50 T54 D62S50-L52 VanDerWaalsContact C-N 3.3Å; S50-L52 PolarHBondContact O-N 3.03Å; S50-L52 WeakPolarHBondContact OG-CD1 3.47Å; L52-T54 PolarHBondContact O-N 2.93Å; L52-T54 VanDerWaalsContact O-N 3.12Å; L52-D62 HydrophobicContact CD1-CB 4.47Å
53P56.1Low72.5Confident122 Ų12273.6 Ų73.679%0.79241%0.411SS*.EExtended strand (participates in β ladder)trans-65.4113.4168.625.4-29.1000108.1
54T56.6Low72.3Confident47 Ų4777.4 Ų77.429%0.28843%0.432SS..  trans-77.4153.2169.276.20000109.7L52 N56 G57 H58 S60L52-T54 PolarHBondContact O-N 2.93Å; L52-T54 VanDerWaalsContact O-N 3.12Å; T54-N56 PolarHBondContact O-N 3.47Å; T54-G57 PolarHBondContact O-N 3.21Å; T54-H58 VanDerWaalsContact CB-O 3.28Å; T54-H58 WeakPolarHBondContact CB-O 3.43Å; T54-H58 WeakPolarHBondContact CG2-O 3.41Å; T54-H58 PolarHBondContact OG1-N 3.19Å; T54-H58 PolarHBondContact OG1-O 3.29Å; T54-S60 WeakPolarHBondContact CG2-OG 3.46Å
55I59.6Low72Confident174 Ų17476.6 Ų76.689%0.89243%0.428SS*.THydrogen-bonded Turntrans-57.6-20.7-177.4-61.1170.7000112.3
56N61.4Low71.9Confident141 Ų14184.9 Ų84.975%0.75446%0.459SS*.THydrogen-bonded Turntrans-101.410.9-177.7-65.2-6.3000114.1T54 H58T54-N56 PolarHBondContact O-N 3.47Å; N56-H58 PolarHBondContact O-N 3.25Å; N56-H58 VanDerWaalsContact O-N 3.12Å
57G56.6Low71.8Confident70 Ų7084.8 Ų84.872%0.72246%0.46SS*.SBendtrans70.62.6-177.400000114.5T54T54-G57 PolarHBondContact O-N 3.21Å
58H56.2Low71.8Confident147 Ų14789.1 Ų89.168%0.68148%0.483SS*.  trans-76.4126.6168.1-101.4-83.7000109.2T54 N56 S60T54-H58 VanDerWaalsContact CB-O 3.28Å; T54-H58 WeakPolarHBondContact CB-O 3.43Å; T54-H58 WeakPolarHBondContact CG2-O 3.41Å; T54-H58 PolarHBondContact OG1-N 3.19Å; T54-H58 PolarHBondContact OG1-O 3.29Å; N56-H58 PolarHBondContact O-N 3.25Å; N56-H58 VanDerWaalsContact O-N 3.12Å; H58-S60 PolarHBondContact O-N 3.44Å; H58-S60 VanDerWaalsContact O-N 3.14Å
59V53.5Low72Confident85 Ų8591.7 Ų91.752%0.51549%0.493SS..EExtended strand (participates in β ladder)trans-76.4103.4169.3-178.30000107.1
60S53.3Low72.4Confident54 Ų5490.3 Ų90.338%0.37850%0.497SS..EExtended strand (participates in β ladder)trans-80.4117.8164.963.40000107.3T54 H58 D62T54-S60 WeakPolarHBondContact CG2-OG 3.46Å; H58-S60 PolarHBondContact O-N 3.44Å; H58-S60 VanDerWaalsContact O-N 3.14Å; S60-D62 PolarHBondContact O-N 3.26Å
61H62.8Low73.2Confident121 Ų12192 Ų9256%0.5651%0.508SS*.EExtended strand (participates in β ladder)trans-75.183.1167.9-63-60.1000108
62D74.1Confident74.2Confident98 Ų9894.4 Ų94.452%0.52452%0.515SS..EExtended strand (participates in β ladder)trans-73.2139.5168.2-159.84000108.4S50 L52 S60S50-D62 PolarHBondContact N-O 2.87Å; L52-D62 HydrophobicContact CD1-CB 4.47Å; S60-D62 PolarHBondContact O-N 3.26Å
63L83.8Confident75.5Confident19 Ų1993.1 Ų93.110%0.09951%0.506CS..EExtended strand (participates in β ladder)trans-100.4103.3-177.9-169.269.4000108.8S47 K49 T65 R81 T84S47-L63 WeakPolarHBondContact OG-CD1 3.2Å; K49-L63 HydrophobicContact CG-CD1 4.16Å; L63-T65 HydrophobicContact CD2-CG2 4.46Å; L63-T65 HydrophobicContact CG-CG2 4.35Å; L63-R81 HydrophobicContact CD2-CB 3.93Å; L63-R81 HydrophobicContact CD2-CG 3.85Å; L63-T84 HydrophobicContact CD1-CG2 3.46Å; L63-T84 VanDerWaalsContact CD1-CG2 3.46Å; L63-T84 HydrophobicContact CD2-CG2 3.97Å; L63-T84 HydrophobicContact CG-CG2 4.37Å
64D88.1Confident77Confident94 Ų9494.2 Ų94.250%0.50350%0.502SS..EExtended strand (participates in β ladder)trans-80.7131173.5-170.617000109.3S47 Q48S47-D64 WeakPolarHBondContact CA-O 3.39Å; Q48-D64 PolarHBondContact N-O 3.45Å; Q48-D64 PolarHBondContact O-N 2.87Å
65T90.8Very high78.5Confident17 Ų1793 Ų9310%0.10449%0.494CS..EExtended strand (participates in β ladder)trans-130.9127.2178.751.70000110.3L46 L63 T80 R81L46-T65 CarbonylContact O-C 3.52Å; L46-T65 WeakPolarHBondContact O-CA 3.33Å; L63-T65 HydrophobicContact CD2-CG2 4.46Å; L63-T65 HydrophobicContact CG-CG2 4.35Å; T65-T80 HydrophobicContact CG2-CG2 4.33Å; T65-R81 HydrophobicContact CG2-CG 3.45Å; T65-R81 VanDerWaalsContact CG2-CG 3.45Å; T65-R81 PolarHBondContact OG1-NE 3Å; T65-R81 PolarHBondContact OG1-NH2 3.31Å
66R92.7Very high80Confident174 Ų17484.9 Ų84.966%0.65745%0.452SS*.EExtended strand (participates in β ladder)trans-135.6129.3-176.8-178.7179.5177.1-1791.2111L46 L68L46-R66 WeakPolarHBondContact CB-O 3.4Å; L46-R66 PolarHBondContact N-O 3.15Å; L46-R66 PolarHBondContact O-N 2.93Å; R66-L68 PolarHBondContact O-N 3.32Å
67T94.3Very high81.5Confident26 Ų2678.7 Ų78.716%0.1642%0.42CS..EExtended strand (participates in β ladder)trans-69.8124.9169.9-55.20000110.1F69 G70T67-F69 WeakPolarHBondContact CG2-O 3.16Å; T67-G70 WeakPolarHBondContact CG2-O 3.17Å
68L95.6Very high83.2Confident92 Ų9279.7 Ų79.748%0.48241%0.408SS..EExtended strand (participates in β ladder)trans-97.4-33.5175.8-62.5-176000112.3I44 L46 R66 L94I44-L68 PolarHBondContact O-N 3.38Å; L46-L68 HydrophobicContact CB-CD1 3.85Å; L46-L68 HydrophobicContact CB-CD2 4.25Å; L46-L68 HydrophobicContact CB-CG 3.87Å; L46-L68 HydrophobicContact CD1-CD1 4.26Å; L46-L68 HydrophobicContact CD2-CD1 4.43Å; L46-L68 HydrophobicContact CD2-CD2 4.37Å; L46-L68 HydrophobicContact CG-CD1 4.43Å; R66-L68 PolarHBondContact O-N 3.32Å; L68-L94 HydrophobicContact CD1-CD2 4.08Å
69F94.2Very high85Confident132 Ų13272.8 Ų72.858%0.57938%0.377SS*.EExtended strand (participates in β ladder)trans-143.1143-179.3-173.6-96000110.3G42 D43 I44 T67G42-F69 WeakPolarHBondContact O-CD1 3.22Å; D43-F69 CarbonylContact C-O 3.51Å; D43-F69 VanDerWaalsContact CA-O 3.26Å; D43-F69 WeakPolarHBondContact CA-O 3.28Å; I44-F69 HydrophobicContact CB-CB 4.02Å; I44-F69 HydrophobicContact CD1-CB 4.21Å; I44-F69 HydrophobicContact CG1-CB 4.13Å; I44-F69 PolarHBondContact N-O 2.96Å; I44-F69 PolarHBondContact O-N 2.74Å; T67-F69 WeakPolarHBondContact CG2-O 3.16Å
70G91.7Very high87Confident37 Ų3768.8 Ų68.838%0.38135%0.352SS..SBendtrans84.9171.5-175.100000113.6D43 T67D43-G70 WeakPolarHBondContact OD1-CA 3.41Å; T67-G70 WeakPolarHBondContact CG2-O 3.17Å
71P89.4Confident88.9Confident79 Ų7971.1 Ų71.151%0.51335%0.353SS..  trans-61.8145.6173.727.2-37.6000111.8D43 K73D43-P71 WeakPolarHBondContact OD1-CD 3.35Å; P71-K73 HydrophobicContact CG-CG 4.5Å; P71-K73 PolarHBondContact O-N 3.04Å
72E87.1Confident90.4Very high164 Ų16467.5 Ų67.577%0.76634%0.336SS*.  trans-68.9117.9169.6-171.8172.8-178.300109.9
73K88Confident91.4Very high62 Ų6262.9 Ų62.927%0.2731%0.311SS..  trans-122.8127.4177.2-66.7175.9-175.6154.30109D43 P71 N75 T76 C77 F99D43-K73 WeakPolarHBondContact OD2-CD 3.33Å; D43-K73 WeakPolarHBondContact OD2-CE 3.36Å; D43-K73 IonicContact OD2-NZ 3.73Å; D43-K73 PolarHBondContact OD2-NZ 3.46Å; P71-K73 HydrophobicContact CG-CG 4.5Å; P71-K73 PolarHBondContact O-N 3.04Å; K73-N75 PolarHBondContact O-N 3.46Å; K73-T76 PolarHBondContact O-N 2.74Å; K73-C77 PolarHBondContact O-N 3.35Å; K73-F99 PolarHBondContact NZ-O 3.1Å
74M87.1Confident91.9Very high145 Ų14562.1 Ų62.171%0.71431%0.308SS*.Hα-helixtrans-53.1-44.9176.7-178.260.369.100111.3T76 C77 L78M74-T76 PolarHBondContact O-N 2.96Å; M74-C77 PolarHBondContact O-N 3.46Å; M74-L78 HydrophobicContact CG-CD1 3.97Å; M74-L78 HydrophobicContact CG-CG 4.33Å; M74-L78 WeakPolarHBondContact O-CG 3.36Å; M74-L78 PolarHBondContact O-N 2.92Å; M74-L78 HydrophobicContact SD-CD1 4.36Å; M74-L78 HydrophobicContact SD-CG 4.24Å
75N88.7Confident92.1Very high21 Ų2164.7 Ų64.711%0.11231%0.314CS..Hα-helixtrans-61.3-45.4-179.1-177.152.5000112.9K73 C77 L78 V79 D102 I103K73-N75 PolarHBondContact O-N 3.46Å; N75-C77 VanDerWaalsContact C-N 3.31Å; N75-C77 PolarHBondContact O-N 3.3Å; N75-L78 PolarHBondContact O-N 3.47Å; N75-L78 VanDerWaalsContact O-N 3.15Å; N75-V79 WeakPolarHBondContact O-CG2 3.44Å; N75-V79 PolarHBondContact O-N 3.44Å; N75-D102 HydrophobicContact CB-CB 4.23Å; N75-D102 WeakPolarHBondContact CB-OD1 3.47Å; N75-D102 WeakPolarHBondContact ND2-CA 3.23Å; N75-I103 PolarHBondContact ND2-N 2.82Å; N75-I103 PolarHBondContact OD1-O 2.8Å
76T91.2Very high92.2Very high4 Ų464.7 Ų64.73%0.02531%0.314CS..Hα-helixtrans-62.7-39.2178.4-47.70000111.6D43 V45 K73 M74 T80 T97D43-T76 HydrophobicContact CB-CG2 4.37Å; V45-T76 HydrophobicContact CG2-CG2 3.5Å; K73-T76 PolarHBondContact O-N 2.74Å; M74-T76 PolarHBondContact O-N 2.96Å; T76-T80 VanDerWaalsContact O-CB 3.28Å; T76-T80 WeakPolarHBondContact O-CB 3.48Å; T76-T80 PolarHBondContact O-N 2.92Å; T76-T80 PolarHBondContact O-OG1 3.21Å; T76-T97 HydrophobicContact CG2-CG2 4.28Å
77C92.3Very high92.2Very high11 Ų1156.9 Ų56.97%0.07429%0.285CS..Hα-helixtrans-63.7-44.1173.6-67.40000111.6K73 M74 N75 T80 R81K73-C77 PolarHBondContact O-N 3.35Å; M74-C77 PolarHBondContact O-N 3.46Å; N75-C77 VanDerWaalsContact C-N 3.31Å; N75-C77 PolarHBondContact O-N 3.3Å; C77-T80 PolarHBondContact O-N 2.86Å; C77-R81 VanDerWaalsContact O-CG 3.28Å; C77-R81 WeakPolarHBondContact O-CG 3.23Å; C77-R81 PolarHBondContact O-N 3.34Å
78L92.1Very high92Very high92 Ų9261.2 Ų61.248%0.48231%0.308SS..Hα-helixtrans-64.3-44.8177.8-69.6175.2000112.6M74 N75 T80 R81 Q82M74-L78 HydrophobicContact CG-CD1 3.97Å; M74-L78 HydrophobicContact CG-CG 4.33Å; M74-L78 WeakPolarHBondContact O-CG 3.36Å; M74-L78 PolarHBondContact O-N 2.92Å; M74-L78 HydrophobicContact SD-CD1 4.36Å; M74-L78 HydrophobicContact SD-CG 4.24Å; N75-L78 PolarHBondContact O-N 3.47Å; N75-L78 VanDerWaalsContact O-N 3.15Å; L78-T80 VanDerWaalsContact C-N 3.31Å; L78-T80 PolarHBondContact O-N 3.22Å; L78-R81 PolarHBondContact O-N 3.04Å; L78-Q82 PolarHBondContact O-N 3.44Å
79V94Very high91.7Very high2 Ų257.2 Ų57.21%0.01229%0.287CS..Hα-helixtrans-57.1-47.4173.6169.40000110.2I35 N75 R81 Q82 I83 T108I35-V79 HydrophobicContact CD1-CG1 4.43Å; N75-V79 WeakPolarHBondContact O-CG2 3.44Å; N75-V79 PolarHBondContact O-N 3.44Å; V79-R81 PolarHBondContact O-N 3.36Å; V79-Q82 PolarHBondContact O-N 3.4Å; V79-I83 HydrophobicContact CG1-CD1 3.74Å; V79-I83 HydrophobicContact CG1-CG1 4.49Å; V79-I83 WeakPolarHBondContact O-CG1 3.2Å; V79-I83 PolarHBondContact O-N 3.12Å; V79-T108 HydrophobicContact CB-CG2 4.4Å; V79-T108 HydrophobicContact CG1-CG2 4.31Å; V79-T108 HydrophobicContact CG2-CG2 4.15Å
80T95.2Very high91.4Very high0 Ų056.5 Ų56.50%030%0.298CS..Hα-helixtrans-61.4-42.7178.6-61.40000112.1V45 T65 T76 C77 L78 I83 T84 V95V45-T80 HydrophobicContact CB-CG2 4.13Å; V45-T80 HydrophobicContact CG1-CG2 3.79Å; T65-T80 HydrophobicContact CG2-CG2 4.33Å; T76-T80 VanDerWaalsContact O-CB 3.28Å; T76-T80 WeakPolarHBondContact O-CB 3.48Å; T76-T80 PolarHBondContact O-N 2.92Å; T76-T80 PolarHBondContact O-OG1 3.21Å; C77-T80 PolarHBondContact O-N 2.86Å; L78-T80 VanDerWaalsContact C-N 3.31Å; L78-T80 PolarHBondContact O-N 3.22Å; T80-I83 PolarHBondContact O-N 3.34Å; T80-T84 WeakPolarHBondContact O-CB 3.3Å; T80-T84 PolarHBondContact O-N 3.06Å; T80-T84 PolarHBondContact O-OG1 3.14Å; T80-V95 HydrophobicContact CG2-CB 4.12Å; T80-V95 HydrophobicContact CG2-CG2 3.76Å; T80-V95 WeakPolarHBondContact OG1-CB 3.24Å
81R93.7Very high91.4Very high104 Ų10456.7 Ų56.739%0.39229%0.289SS..Hα-helixtrans-61.7-43.9175.2-72.4180174.6-165-9111.7L63 T65 C77 L78 V79 T84 K85L63-R81 HydrophobicContact CD2-CB 3.93Å; L63-R81 HydrophobicContact CD2-CG 3.85Å; T65-R81 HydrophobicContact CG2-CG 3.45Å; T65-R81 VanDerWaalsContact CG2-CG 3.45Å; T65-R81 PolarHBondContact OG1-NE 3Å; T65-R81 PolarHBondContact OG1-NH2 3.31Å; C77-R81 VanDerWaalsContact O-CG 3.28Å; C77-R81 WeakPolarHBondContact O-CG 3.23Å; C77-R81 PolarHBondContact O-N 3.34Å; L78-R81 PolarHBondContact O-N 3.04Å; V79-R81 PolarHBondContact O-N 3.36Å; R81-T84 PolarHBondContact O-N 3Å; R81-K85 WeakPolarHBondContact O-CG 3.32Å; R81-K85 PolarHBondContact O-N 3.12Å
82Q93.9Very high91.7Very high45 Ų4554 Ų5421%0.2127%0.271CS..Hα-helixtrans-65.5-43.2179.6-172.663.56.800111.8L78 V79 T84 K85 T86 T108L78-Q82 PolarHBondContact O-N 3.44Å; V79-Q82 PolarHBondContact O-N 3.4Å; Q82-T84 VanDerWaalsContact C-N 3.31Å; Q82-T84 PolarHBondContact O-N 3.28Å; Q82-K85 PolarHBondContact O-N 2.94Å; Q82-T86 WeakPolarHBondContact O-CB 3.44Å; Q82-T86 PolarHBondContact O-N 3.02Å; Q82-T86 PolarHBondContact O-OG1 2.98Å; Q82-T108 HydrophobicContact CB-CG2 3.93Å; Q82-T108 HydrophobicContact CG-CG2 3.88Å
83I95.5Very high92.1Very high0 Ų046.2 Ų46.20%024%0.235CC..Hα-helixtrans-60-44.4173.8-71.3166.7000110.5V33 I35 V79 T80 T86 L87 V95 I111 L115V33-I83 HydrophobicContact CG2-CG2 4.41Å; I35-I83 HydrophobicContact CD1-CD1 3.61Å; V79-I83 HydrophobicContact CG1-CD1 3.74Å; V79-I83 HydrophobicContact CG1-CG1 4.49Å; V79-I83 WeakPolarHBondContact O-CG1 3.2Å; V79-I83 PolarHBondContact O-N 3.12Å; T80-I83 PolarHBondContact O-N 3.34Å; I83-T86 WeakPolarHBondContact O-CB 3.34Å; I83-T86 PolarHBondContact O-N 2.91Å; I83-L87 HydrophobicContact CG2-CD1 3.61Å; I83-L87 HydrophobicContact CG2-CG 4.33Å; I83-L87 WeakPolarHBondContact O-CB 3.39Å; I83-L87 WeakPolarHBondContact O-CG 3.44Å; I83-L87 PolarHBondContact O-N 2.86Å; I83-V95 HydrophobicContact CD1-CG1 3.96Å; I83-V95 HydrophobicContact CD1-CG2 4.26Å; I83-V95 HydrophobicContact CG2-CG2 4.31Å; I83-I111 HydrophobicContact CD1-CG2 4.41Å; I83-L115 HydrophobicContact CD1-CD1 4.32Å; I83-L115 HydrophobicContact CG1-CD1 4.06Å; I83-L115 HydrophobicContact CG2-CD1 3.86Å
84T94Very high92.6Very high4 Ų445 Ų453%0.02523%0.231CC..Hα-helixtrans-66.4-42.6-177.9-51.30000112.6S47 L63 T80 R81 Q82 T86 D88 I93S47-T84 VanDerWaalsContact CB-OG1 3.23Å; S47-T84 WeakPolarHBondContact CB-OG1 3.39Å; S47-T84 WeakPolarHBondContact OG-CB 3.22Å; S47-T84 WeakPolarHBondContact OG-CG2 3.35Å; S47-T84 PolarHBondContact OG-OG1 3.36Å; L63-T84 HydrophobicContact CD1-CG2 3.46Å; L63-T84 VanDerWaalsContact CD1-CG2 3.46Å; L63-T84 HydrophobicContact CD2-CG2 3.97Å; L63-T84 HydrophobicContact CG-CG2 4.37Å; T80-T84 WeakPolarHBondContact O-CB 3.3Å; T80-T84 PolarHBondContact O-N 3.06Å; T80-T84 PolarHBondContact O-OG1 3.14Å; R81-T84 PolarHBondContact O-N 3Å; Q82-T84 VanDerWaalsContact C-N 3.31Å; Q82-T84 PolarHBondContact O-N 3.28Å; T84-T86 VanDerWaalsContact C-N 3.31Å; T84-T86 PolarHBondContact O-N 3Å; T84-D88 PolarHBondContact O-N 2.53Å; T84-D88 VanDerWaalsContact O-N 3.16Å; T84-I93 HydrophobicContact CG2-CD1 3.69Å; T84-I93 HydrophobicContact CG2-CG1 4.31Å
85K92.8Very high93.1Very high148 Ų14838.1 Ų38.164%0.64320%0.197SC*.Hα-helixtrans-62.4-40.9172.9-72.8179.7178.6-176.70111.8R81 Q82R81-K85 WeakPolarHBondContact O-CG 3.32Å; R81-K85 PolarHBondContact O-N 3.12Å; Q82-K85 PolarHBondContact O-N 2.94Å
86T93.3Very high93.4Very high17 Ų1737.1 Ų37.110%0.10419%0.192CC..Hα-helixtrans-63.8-45-179.7-70.50000112.2Q82 I83 T84 D88 C112 K116Q82-T86 WeakPolarHBondContact O-CB 3.44Å; Q82-T86 PolarHBondContact O-N 3.02Å; Q82-T86 PolarHBondContact O-OG1 2.98Å; I83-T86 WeakPolarHBondContact O-CB 3.34Å; I83-T86 PolarHBondContact O-N 2.91Å; T84-T86 VanDerWaalsContact C-N 3.31Å; T84-T86 PolarHBondContact O-N 3Å; T86-D88 VanDerWaalsContact C-N 3.31Å; T86-C112 HydrophobicContact CG2-CB 3.5Å; T86-C112 VanDerWaalsContact CG2-CB 3.5Å; T86-C112 WeakPolarHBondContact CG2-O 2.99Å; T86-C112 PolarHBondContact OG1-SG 2.92Å; T86-K116 HydrophobicContact CG2-CD 3.69Å; T86-K116 HydrophobicContact CG2-CG 3.68Å; T86-K116 WeakPolarHBondContact O-CE 3.36Å
87L92.4Very high93.6Very high9 Ų937 Ų375%0.04719%0.191CC..Hα-helixtrans-78.8-18.1-176.2-71.3174.2000113.4L31 V33 I83 T89 I93 L115 R119L31-L87 HydrophobicContact CD2-CD1 3.64Å; V33-L87 HydrophobicContact CG2-CD1 4.35Å; I83-L87 HydrophobicContact CG2-CD1 3.61Å; I83-L87 HydrophobicContact CG2-CG 4.33Å; I83-L87 WeakPolarHBondContact O-CB 3.39Å; I83-L87 WeakPolarHBondContact O-CG 3.44Å; I83-L87 PolarHBondContact O-N 2.86Å; L87-T89 VanDerWaalsContact C-N 3.28Å; L87-T89 PolarHBondContact O-N 2.72Å; L87-T89 VanDerWaalsContact O-N 3.1Å; L87-I93 HydrophobicContact CB-CD1 4.33Å; L87-I93 HydrophobicContact CD1-CD1 4.16Å; L87-L115 HydrophobicContact CD2-CB 4.06Å; L87-R119 PolarHBondContact O-NH1 2.92Å
88D90.3Very high93.6Very high117 Ų11737.7 Ų37.763%0.62619%0.194SC*.THydrogen-bonded Turntrans36.155.1177.4-166.426.8000114.1K49 T84 T86K49-D88 IonicContact NZ-OD1 2.64Å; K49-D88 PolarHBondContact NZ-OD1 2.86Å; T84-D88 PolarHBondContact O-N 2.53Å; T84-D88 VanDerWaalsContact O-N 3.16Å; T86-D88 VanDerWaalsContact C-N 3.31Å
89T88.6Confident93.5Very high9 Ų933.5 Ų33.56%0.05517%0.172CC..  trans-106.2157.9179.4-177.80000110.7L31 K49 L87 K91 I93L31-T89 HydrophobicContact CD2-CG2 4.42Å; K49-T89 VanDerWaalsContact CE-O 3.23Å; K49-T89 WeakPolarHBondContact CE-O 3.04Å; K49-T89 PolarHBondContact NZ-O 2.67Å; L87-T89 VanDerWaalsContact C-N 3.28Å; L87-T89 PolarHBondContact O-N 2.72Å; L87-T89 VanDerWaalsContact O-N 3.1Å; T89-K91 VanDerWaalsContact C-N 3.29Å; T89-K91 HydrophobicContact CG2-CB 4.09Å; T89-K91 WeakPolarHBondContact OG1-CG 3.27Å; T89-K91 PolarHBondContact OG1-N 2.91Å; T89-I93 HydrophobicContact CG2-CD1 3.71Å; T89-I93 HydrophobicContact CG2-CG1 4Å
90S89.3Confident93.1Very high116 Ų11642 Ų4281%0.81121%0.209SC*.SBendtrans-81.2-12.4168.455.20000112.5
91K91.7Very high92.7Very high42 Ų4245.8 Ų45.818%0.18323%0.226CC..SBendtrans-68149.2179.6-63.5-175.7-177.3-169.90111.2E26 F27 S28 D29 T89E26-K91 VanDerWaalsContact CG-NZ 3.26Å; E26-K91 IonicContact OE1-NZ 2.74Å; E26-K91 PolarHBondContact OE1-NZ 2.86Å; F27-K91 PolarHBondContact O-NZ 2.88Å; S28-K91 WeakPolarHBondContact O-CE 3.45Å; S28-K91 PolarHBondContact O-NZ 3.26Å; D29-K91 WeakPolarHBondContact O-CA 3.47Å; D29-K91 WeakPolarHBondContact O-CB 3.48Å; T89-K91 VanDerWaalsContact C-N 3.29Å; T89-K91 HydrophobicContact CG2-CB 4.09Å; T89-K91 WeakPolarHBondContact OG1-CG 3.27Å; T89-K91 PolarHBondContact OG1-N 2.91Å
92T94.4Very high92.5Very high23 Ų2346.8 Ų46.814%0.14124%0.239CC..EExtended strand (participates in β ladder)trans-67130.1165.8-68.70000108.9D29 H30 L31 L46 Q48D29-T92 PolarHBondContact O-N 3.16Å; H30-T92 CarbonylContact C-O 3.6Å; H30-T92 VanDerWaalsContact CA-O 3.25Å; H30-T92 WeakPolarHBondContact CA-O 3.38Å; L31-T92 PolarHBondContact N-O 3.5Å; L46-T92 HydrophobicContact CD1-CG2 3.25Å; L46-T92 HydrophobicContact CG-CG2 4.16Å; Q48-T92 HydrophobicContact CG-CG2 3.64Å; Q48-T92 PolarHBondContact NE2-OG1 3.05Å
93I96.7Very high92.3Very high0 Ų045 Ų450%023%0.231CC..EExtended strand (participates in β ladder)trans-105.4131.4-179.9-52.1-172.1000109.7L31 V33 L46 S47 T84 L87 T89 V95L31-I93 HydrophobicContact CB-CG1 4.35Å; L31-I93 HydrophobicContact CD2-CD1 4.49Å; L31-I93 CarbonylContact O-C 3.51Å; L31-I93 VanDerWaalsContact O-CA 3.29Å; L31-I93 WeakPolarHBondContact O-CA 3.14Å; V33-I93 HydrophobicContact CG2-CG2 4.42Å; L46-I93 CarbonylContact C-O 3.55Å; S47-I93 PolarHBondContact N-O 2.91Å; S47-I93 PolarHBondContact O-N 3.49Å; T84-I93 HydrophobicContact CG2-CD1 3.69Å; T84-I93 HydrophobicContact CG2-CG1 4.31Å; L87-I93 HydrophobicContact CB-CD1 4.33Å; L87-I93 HydrophobicContact CD1-CD1 4.16Å; T89-I93 HydrophobicContact CG2-CD1 3.71Å; T89-I93 HydrophobicContact CG2-CG1 4Å; I93-V95 HydrophobicContact CG2-CG2 3.84Å
94L97.1Very high92.2Very high37 Ų3747 Ų4719%0.19425%0.245CC..EExtended strand (participates in β ladder)trans-108.7123.7167.3-64100.3000108.6H30 L31 M32 V33 I44 L46 L68H30-L94 HydrophobicContact CB-CD1 4.24Å; L31-L94 PolarHBondContact O-N 3.02Å; M32-L94 CarbonylContact C-O 3.52Å; M32-L94 WeakPolarHBondContact CA-O 3.5Å; M32-L94 HydrophobicContact CG-CB 4.39Å; V33-L94 PolarHBondContact N-O 2.73Å; I44-L94 HydrophobicContact CG2-CB 4.5Å; I44-L94 HydrophobicContact CG2-CD2 4.23Å; L46-L94 HydrophobicContact CD1-CD1 4.35Å; L46-L94 HydrophobicContact CD1-CD2 4.23Å; L46-L94 HydrophobicContact CD1-CG 3.84Å; L68-L94 HydrophobicContact CD1-CD2 4.08Å
95V97.2Very high92.2Very high0 Ų053.6 Ų53.60%027%0.273CS..EExtended strand (participates in β ladder)trans-113.4122.8176.1-176.80000109.1V33 I35 I44 V45 T80 I83 I93 T97V33-V95 HydrophobicContact CB-CG2 4.32Å; V33-V95 CarbonylContact O-C 3.54Å; V33-V95 VanDerWaalsContact O-CA 3.3Å; V33-V95 WeakPolarHBondContact O-CA 3.47Å; I35-V95 HydrophobicContact CD1-CG1 4.08Å; I44-V95 CarbonylContact C-O 3.55Å; I44-V95 WeakPolarHBondContact CA-O 3.33Å; V45-V95 PolarHBondContact N-O 3.19Å; V45-V95 PolarHBondContact O-N 3.03Å; T80-V95 HydrophobicContact CG2-CB 4.12Å; T80-V95 HydrophobicContact CG2-CG2 3.76Å; T80-V95 WeakPolarHBondContact OG1-CB 3.24Å; I83-V95 HydrophobicContact CD1-CG1 3.96Å; I83-V95 HydrophobicContact CD1-CG2 4.26Å; I83-V95 HydrophobicContact CG2-CG2 4.31Å; I93-V95 HydrophobicContact CG2-CG2 3.84Å; V95-T97 HydrophobicContact CG1-CG2 3.92Å
96S96.7Very high92.3Very high0 Ų049.4 Ų49.40%026%0.263CS..EExtended strand (participates in β ladder)trans-103.3129.3172.2167.80000110.2V33 I35 D43V33-S96 PolarHBondContact O-N 2.74Å; I35-S96 PolarHBondContact N-O 2.93Å; D43-S96 CarbonylContact O-C 3.54Å; D43-S96 WeakPolarHBondContact O-CA 3.28Å
97T95Very high92.5Very high1 Ų148.6 Ų48.61%0.00626%0.258CS..EExtended strand (participates in β ladder)trans-136.4137.9173.677.50000112.7I35 G42 D43 T76 V95 F99I35-T97 HydrophobicContact CB-CG2 4.33Å; I35-T97 HydrophobicContact CD1-CG2 4.17Å; I35-T97 WeakPolarHBondContact O-CA 3.26Å; G42-T97 CarbonylContact C-O 3.51Å; G42-T97 VanDerWaalsContact CA-O 3.24Å; G42-T97 WeakPolarHBondContact CA-O 3.35Å; D43-T97 PolarHBondContact N-O 2.82Å; D43-T97 PolarHBondContact O-N 3.44Å; T76-T97 HydrophobicContact CG2-CG2 4.28Å; V95-T97 HydrophobicContact CG1-CG2 3.92Å; T97-F99 HydrophobicContact CG2-CD2 4.11Å; T97-F99 HydrophobicContact CG2-CE2 3.98Å
98D92.8Very high92.7Very high25 Ų2548.5 Ų48.513%0.13426%0.258CS..  trans-100.122.7175.379-40.3000113.4S36 R37 M40 K100S36-D98 VanDerWaalsContact CA-OD1 3.32Å; S36-D98 WeakPolarHBondContact CA-OD1 3.47Å; R37-D98 WeakPolarHBondContact CB-OD2 3.29Å; R37-D98 VanDerWaalsContact N-CG 3.33Å; R37-D98 PolarHBondContact N-OD1 2.87Å; R37-D98 PolarHBondContact N-OD2 3.2Å; R37-D98 IonicContact NE-OD1 3.74Å; R37-D98 IonicContact NE-OD2 3.42Å; R37-D98 PolarHBondContact NH2-O 2.81Å; M40-D98 HydrophobicContact CB-CB 3.93Å; D98-K100 PolarHBondContact O-N 2.88Å
99F89.3Confident92.9Very high5 Ų545.4 Ų45.42%0.02224%0.24CC..  trans-68.6125.8-177.7-55.5-33.7000111.3L13 F18 V20 I35 K73 T97 I103 I111L13-F99 HydrophobicContact CD1-CZ 4.44Å; F18-F99 HydrophobicContact CE2-CD1 4.16Å; F18-F99 AromaticContact CE2-CE1 3.89Å; F18-F99 HydrophobicContact CE2-CE1 3.89Å; F18-F99 HydrophobicContact CZ-CD1 4.14Å; F18-F99 HydrophobicContact CZ-CE1 4.26Å; V20-F99 HydrophobicContact CG1-CE1 3.77Å; V20-F99 HydrophobicContact CG1-CZ 4.21Å; I35-F99 HydrophobicContact CB-CZ 4.15Å; I35-F99 HydrophobicContact CG2-CE1 4.1Å; I35-F99 HydrophobicContact CG2-CE2 4.19Å; I35-F99 HydrophobicContact CG2-CZ 3.39Å; K73-F99 PolarHBondContact NZ-O 3.1Å; T97-F99 HydrophobicContact CG2-CD2 4.11Å; T97-F99 HydrophobicContact CG2-CE2 3.98Å; F99-I103 HydrophobicContact CB-CG1 4.45Å; F99-I103 HydrophobicContact CD1-CD1 3.67Å; F99-I103 HydrophobicContact CD1-CG1 4.44Å; F99-I103 HydrophobicContact CD2-CD1 3.46Å; F99-I103 VanDerWaalsContact CD2-CD1 3.46Å; F99-I103 HydrophobicContact CD2-CG1 3.73Å; F99-I103 HydrophobicContact CE1-CD1 3.51Å; F99-I103 HydrophobicContact CE2-CD1 3.28Å; F99-I103 HydrophobicContact CE2-CG1 3.98Å; F99-I103 HydrophobicContact CG-CD1 3.63Å; F99-I103 HydrophobicContact CG-CG1 3.97Å; F99-I103 HydrophobicContact CZ-CD1 3.27Å; F99-I103 HydrophobicContact CZ-CG1 4.4Å; F99-I111 HydrophobicContact CZ-CD1 4.44Å
100K85.5Confident93.3Very high181 Ų18148.2 Ų48.279%0.78725%0.254SS*.SBendtrans-89.2-29.1174.9-71.7177.1-178-178.40111R37 D98R37-K100 VanDerWaalsContact NH2-N 3.2Å; D98-K100 PolarHBondContact O-N 2.88Å
101E86.2Confident93.7Very high78 Ų7842.8 Ų42.836%0.36422%0.215SC..SBendtrans-110.8160.9178.452.4-76149.400111F18 R37F18-E101 HydrophobicContact CE1-CG 4.31Å; F18-E101 WeakPolarHBondContact CE1-OE1 3.25Å; R37-E101 IonicContact CZ-OE1 3.9Å; R37-E101 IonicContact NH1-OE1 2.68Å; R37-E101 PolarHBondContact NH1-OE1 2.91Å; R37-E101 IonicContact NH1-OE2 3.59Å; R37-E101 IonicContact NH2-OE1 2.73Å
102D89.4Confident93.9Very high125 Ų12540.8 Ų40.867%0.66821%0.207SC*.  trans-69.2142.2172.8-69.2-23.8000110.4N75N75-D102 HydrophobicContact CB-CB 4.23Å; N75-D102 WeakPolarHBondContact CB-OD1 3.47Å; N75-D102 WeakPolarHBondContact ND2-CA 3.23Å
103I91.3Very high93.9Very high7 Ų742.6 Ų42.64%0.03622%0.216CC..  trans-106.3132.7176.7-59.2-148.8000108.2L13 F18 N75 F99 D107L13-I103 HydrophobicContact CD1-CD1 3.5Å; L13-I103 HydrophobicContact CD1-CG2 4.44Å; F18-I103 HydrophobicContact CE2-CD1 4.12Å; F18-I103 HydrophobicContact CZ-CD1 3.72Å; N75-I103 PolarHBondContact ND2-N 2.82Å; N75-I103 PolarHBondContact OD1-O 2.8Å; F99-I103 HydrophobicContact CB-CG1 4.45Å; F99-I103 HydrophobicContact CD1-CD1 3.67Å; F99-I103 HydrophobicContact CD1-CG1 4.44Å; F99-I103 HydrophobicContact CD2-CD1 3.46Å; F99-I103 VanDerWaalsContact CD2-CD1 3.46Å; F99-I103 HydrophobicContact CD2-CG1 3.73Å; F99-I103 HydrophobicContact CE1-CD1 3.51Å; F99-I103 HydrophobicContact CE2-CD1 3.28Å; F99-I103 HydrophobicContact CE2-CG1 3.98Å; F99-I103 HydrophobicContact CG-CD1 3.63Å; F99-I103 HydrophobicContact CG-CG1 3.97Å; F99-I103 HydrophobicContact CZ-CD1 3.27Å; F99-I103 HydrophobicContact CZ-CG1 4.4Å; I103-D107 HydrophobicContact CG2-CB 3.36Å
104C92.9Very high93.8Very high44 Ų4444 Ų4430%0.29722%0.224SC..  trans-69.2166.2-179.172.40000112.6V15 S106 D107 T108V15-C104 WeakPolarHBondContact CB-SG 3.4Å; V15-C104 HydrophobicContact CG1-CB 4.26Å; C104-S106 VanDerWaalsContact C-N 3.34Å; C104-S106 PolarHBondContact O-N 2.8Å; C104-S106 PolarHBondContact SG-OG 3.42Å; C104-D107 PolarHBondContact O-N 2.84Å; C104-D107 PolarHBondContact SG-N 3.19Å; C104-T108 PolarHBondContact O-N 2.95Å; C104-T108 PolarHBondContact O-OG1 3.44Å
105F93.5Very high93.7Very high141 Ų14142.2 Ų42.262%0.61822%0.215SC*.Hα-helixtrans-60.7-39.5179.3-179.4-97.9000113.2T108 Q109F105-T108 WeakPolarHBondContact O-CB 3.49Å; F105-T108 PolarHBondContact O-N 3.33Å; F105-Q109 PolarHBondContact O-N 2.88Å
106S95.5Very high93.5Very high61 Ų6146.6 Ų46.643%0.42723%0.234SC..Hα-helixtrans-66.2-40.9-17951.30000112.7C104 T108 Q109 L110C104-S106 VanDerWaalsContact C-N 3.34Å; C104-S106 PolarHBondContact O-N 2.8Å; C104-S106 PolarHBondContact SG-OG 3.42Å; S106-T108 VanDerWaalsContact C-N 3.33Å; S106-Q109 WeakPolarHBondContact O-CB 3.38Å; S106-Q109 PolarHBondContact O-N 2.98Å; S106-L110 PolarHBondContact O-N 3.07Å; S106-L110 VanDerWaalsContact O-N 3.08Å
107D96.3Very high93.1Very high0 Ų051.8 Ų51.80%026%0.262CS..Hα-helixtrans-67.1-37.9174.7-75.9-5000111.1L13 P14 V15 A16 I103 C104 Q109 L110 I111L13-D107 HydrophobicContact CB-CB 4.27Å; L13-D107 HydrophobicContact CD1-CB 4.48Å; L13-D107 HydrophobicContact CD2-CB 4.21Å; P14-D107 WeakPolarHBondContact CD-OD1 3.3Å; P14-D107 WeakPolarHBondContact CG-OD1 3.48Å; V15-D107 WeakPolarHBondContact CB-OD2 3.47Å; V15-D107 PolarHBondContact N-OD1 3.41Å; V15-D107 VanDerWaalsContact N-OD1 3.15Å; V15-D107 PolarHBondContact N-OD2 3.42Å; A16-D107 WeakPolarHBondContact CB-OD2 3.46Å; A16-D107 PolarHBondContact N-OD2 3.35Å; I103-D107 HydrophobicContact CG2-CB 3.36Å; C104-D107 PolarHBondContact O-N 2.84Å; C104-D107 PolarHBondContact SG-N 3.19Å; D107-Q109 VanDerWaalsContact C-N 3.3Å; D107-Q109 PolarHBondContact O-N 3.19Å; D107-L110 PolarHBondContact O-N 2.78Å; D107-I111 WeakPolarHBondContact O-CG1 3.31Å; D107-I111 PolarHBondContact O-N 3.21Å; D107-I111 VanDerWaalsContact O-N 3.14Å
108T96.5Very high92.3Very high7 Ų752.6 Ų52.64%0.04327%0.266CS..Hα-helixtrans-61.3-39.4172.6-56.10000111.6V79 Q82 C104 F105 S106 I111 C112V79-T108 HydrophobicContact CB-CG2 4.4Å; V79-T108 HydrophobicContact CG1-CG2 4.31Å; V79-T108 HydrophobicContact CG2-CG2 4.15Å; Q82-T108 HydrophobicContact CB-CG2 3.93Å; Q82-T108 HydrophobicContact CG-CG2 3.88Å; C104-T108 PolarHBondContact O-N 2.95Å; C104-T108 PolarHBondContact O-OG1 3.44Å; F105-T108 WeakPolarHBondContact O-CB 3.49Å; F105-T108 PolarHBondContact O-N 3.33Å; S106-T108 VanDerWaalsContact C-N 3.33Å; T108-I111 PolarHBondContact O-N 2.91Å; T108-C112 PolarHBondContact O-N 3.32Å; T108-C112 PolarHBondContact O-SG 2.97Å
109Q96.2Very high91.3Very high52 Ų5256.5 Ų56.524%0.24328%0.278CS..Hα-helixtrans-65.1-40.1177-17159.344.700111.7F105 S106 D107 I111 C112 D113F105-Q109 PolarHBondContact O-N 2.88Å; S106-Q109 WeakPolarHBondContact O-CB 3.38Å; S106-Q109 PolarHBondContact O-N 2.98Å; D107-Q109 VanDerWaalsContact C-N 3.3Å; D107-Q109 PolarHBondContact O-N 3.19Å; Q109-I111 VanDerWaalsContact C-N 3.35Å; Q109-I111 PolarHBondContact O-N 2.78Å; Q109-C112 WeakPolarHBondContact O-CA 3.5Å; Q109-C112 VanDerWaalsContact O-CB 3.3Å; Q109-C112 WeakPolarHBondContact O-CB 3.13Å; Q109-C112 PolarHBondContact O-N 2.81Å; Q109-C112 VanDerWaalsContact O-N 3.11Å; Q109-D113 PolarHBondContact NE2-OD1 3.29Å; Q109-D113 PolarHBondContact O-N 3.42Å
110L96.4Very high90.1Very high68 Ų6861.2 Ų61.236%0.35631%0.312SS..Hα-helixtrans-61-42.3174.8-70.6171.2000112.3L11 P14 S106 D107 C112 D113 V114L11-L110 HydrophobicContact CD1-CB 3.98Å; P14-L110 VanDerWaalsContact CD-CD1 3.43Å; P14-L110 HydrophobicContact CG-CD1 3.72Å; S106-L110 PolarHBondContact O-N 3.07Å; S106-L110 VanDerWaalsContact O-N 3.08Å; D107-L110 PolarHBondContact O-N 2.78Å; L110-C112 VanDerWaalsContact C-N 3.29Å; L110-C112 PolarHBondContact O-N 2.86Å; L110-D113 PolarHBondContact O-N 2.86Å; L110-V114 WeakPolarHBondContact O-CG2 3.45Å; L110-V114 PolarHBondContact O-N 2.86Å
111I96.5Very high88.5Confident1 Ų160.1 Ų60.11%0.00532%0.321CS..Hα-helixtrans-59.3-44.4173.7-65.6164.2000110.2L11 L13 V22 I35 I83 F99 D107 T108 Q109 V114 L115L11-I111 HydrophobicContact CD1-CG1 4.02Å; L13-I111 HydrophobicContact CD1-CD1 4.25Å; L13-I111 HydrophobicContact CD2-CD1 4.1Å; L13-I111 HydrophobicContact CD2-CG1 3.9Å; V22-I111 HydrophobicContact CG2-CG2 4.24Å; I35-I111 HydrophobicContact CD1-CD1 4.44Å; I35-I111 HydrophobicContact CD1-CG2 3.8Å; I35-I111 HydrophobicContact CG1-CG2 4.35Å; I35-I111 HydrophobicContact CG2-CD1 4.19Å; I83-I111 HydrophobicContact CD1-CG2 4.41Å; F99-I111 HydrophobicContact CZ-CD1 4.44Å; D107-I111 WeakPolarHBondContact O-CG1 3.31Å; D107-I111 PolarHBondContact O-N 3.21Å; D107-I111 VanDerWaalsContact O-N 3.14Å; T108-I111 PolarHBondContact O-N 2.91Å; Q109-I111 VanDerWaalsContact C-N 3.35Å; Q109-I111 PolarHBondContact O-N 2.78Å; I111-V114 PolarHBondContact O-N 2.87Å; I111-L115 HydrophobicContact CG2-CD1 3.96Å; I111-L115 WeakPolarHBondContact O-CG 3.44Å; I111-L115 PolarHBondContact O-N 2.88Å
112C96.7Very high88.6Confident0 Ų059.2 Ų59.20%032%0.319CS..Hα-helixtrans-62.4-42.2178.8-72.70000112.8T86 T108 Q109 L110 L115 K116T86-C112 HydrophobicContact CG2-CB 3.5Å; T86-C112 VanDerWaalsContact CG2-CB 3.5Å; T86-C112 WeakPolarHBondContact CG2-O 2.99Å; T86-C112 PolarHBondContact OG1-SG 2.92Å; T108-C112 PolarHBondContact O-N 3.32Å; T108-C112 PolarHBondContact O-SG 2.97Å; Q109-C112 WeakPolarHBondContact O-CA 3.5Å; Q109-C112 VanDerWaalsContact O-CB 3.3Å; Q109-C112 WeakPolarHBondContact O-CB 3.13Å; Q109-C112 PolarHBondContact O-N 2.81Å; Q109-C112 VanDerWaalsContact O-N 3.11Å; L110-C112 VanDerWaalsContact C-N 3.29Å; L110-C112 PolarHBondContact O-N 2.86Å; C112-L115 PolarHBondContact O-N 2.79Å; C112-K116 PolarHBondContact O-N 2.82Å
113D95.2Very high88.6Confident62 Ų6255.7 Ų55.733%0.33230%0.3SS..Hα-helixtrans-66.7-40.8178.6-63.6-19.7000111.1Q109 L110 K116 N117Q109-D113 PolarHBondContact NE2-OD1 3.29Å; Q109-D113 PolarHBondContact O-N 3.42Å; L110-D113 PolarHBondContact O-N 2.86Å; D113-K116 PolarHBondContact O-N 3.03Å; D113-N117 VanDerWaalsContact O-CG 3.25Å; D113-N117 PolarHBondContact O-N 2.86Å; D113-N117 PolarHBondContact O-ND2 2.77Å
114V94.6Very high88.4Confident29 Ų2958.4 Ų58.418%0.17632%0.315CS..Hα-helixtrans-60.6-45.9173.7168.20000111.2L11 L110 I111 K116 N117 I118L11-V114 HydrophobicContact CB-CG2 4.41Å; L11-V114 HydrophobicContact CD1-CG2 4.24Å; L11-V114 HydrophobicContact CD2-CG1 4.45Å; L11-V114 HydrophobicContact CD2-CG2 4.38Å; L110-V114 WeakPolarHBondContact O-CG2 3.45Å; L110-V114 PolarHBondContact O-N 2.86Å; I111-V114 PolarHBondContact O-N 2.87Å; V114-K116 VanDerWaalsContact C-N 3.35Å; V114-K116 PolarHBondContact O-N 2.98Å; V114-N117 PolarHBondContact O-N 3.19Å; V114-I118 HydrophobicContact CG1-CD1 3.58Å; V114-I118 HydrophobicContact CG1-CG1 4.33Å; V114-I118 WeakPolarHBondContact O-CB 3.18Å; V114-I118 WeakPolarHBondContact O-CD1 3.4Å; V114-I118 WeakPolarHBondContact O-CG1 3.41Å; V114-I118 PolarHBondContact O-N 2.8Å
115L94.9Very high88.2Confident0 Ų059.3 Ų59.30%032%0.316CS..Hα-helixtrans-62-38.9178-74.1168.6000112.7V22 Q24 V33 I83 L87 I111 C112 R119V22-L115 HydrophobicContact CG1-CD2 3.48Å; V22-L115 VanDerWaalsContact CG1-CD2 3.48Å; V22-L115 HydrophobicContact CG1-CG 3.97Å; Q24-L115 HydrophobicContact CB-CD2 4.26Å; V33-L115 HydrophobicContact CG1-CD1 3.98Å; V33-L115 HydrophobicContact CG1-CD2 3.96Å; V33-L115 HydrophobicContact CG2-CD2 4.28Å; I83-L115 HydrophobicContact CD1-CD1 4.32Å; I83-L115 HydrophobicContact CG1-CD1 4.06Å; I83-L115 HydrophobicContact CG2-CD1 3.86Å; L87-L115 HydrophobicContact CD2-CB 4.06Å; I111-L115 HydrophobicContact CG2-CD1 3.96Å; I111-L115 WeakPolarHBondContact O-CG 3.44Å; I111-L115 PolarHBondContact O-N 2.88Å; C112-L115 PolarHBondContact O-N 2.79Å; L115-R119 PolarHBondContact O-N 2.86Å
116K92.1Very high87.8Confident92 Ų9254.2 Ų54.240%0.430%0.297SS..Hα-helixtrans-64.8-44.7174.5-80.9175.7165.7169.60112.7T86 C112 D113 V114 R119 S120T86-K116 HydrophobicContact CG2-CD 3.69Å; T86-K116 HydrophobicContact CG2-CG 3.68Å; T86-K116 WeakPolarHBondContact O-CE 3.36Å; C112-K116 PolarHBondContact O-N 2.82Å; D113-K116 PolarHBondContact O-N 3.03Å; V114-K116 VanDerWaalsContact C-N 3.35Å; V114-K116 PolarHBondContact O-N 2.98Å; K116-R119 PolarHBondContact O-N 2.89Å; K116-S120 PolarHBondContact O-N 2.68Å; K116-S120 PolarHBondContact O-OG 3.47Å
117N87.3Confident87.3Confident108 Ų10853.7 Ų53.758%0.57829%0.288SS*.Hα-helixtrans-65.9-42-177.9-71.5-21.5000111.3D113 V114 R119 S120D113-N117 VanDerWaalsContact O-CG 3.25Å; D113-N117 PolarHBondContact O-N 2.86Å; D113-N117 PolarHBondContact O-ND2 2.77Å; V114-N117 PolarHBondContact O-N 3.19Å; N117-R119 VanDerWaalsContact C-N 3.28Å; N117-R119 PolarHBondContact O-N 2.76Å; N117-S120 PolarHBondContact O-N 2.99Å; N117-S120 VanDerWaalsContact O-N 3.07Å
118I80.1Confident86.7Confident18 Ų1857.6 Ų57.69%0.09231%0.309CS..Hα-helixtrans-60.4-36.2177.1-75.2170.6000112.2L7 S9 V114 S120 T121L7-I118 HydrophobicContact CB-CG2 3.16Å; L7-I118 HydrophobicContact CD1-CG2 3.3Å; L7-I118 HydrophobicContact CD2-CG2 4.27Å; L7-I118 HydrophobicContact CG-CG2 3.7Å; S9-I118 VanDerWaalsContact CB-CD1 3.49Å; V114-I118 HydrophobicContact CG1-CD1 3.58Å; V114-I118 HydrophobicContact CG1-CG1 4.33Å; V114-I118 WeakPolarHBondContact O-CB 3.18Å; V114-I118 WeakPolarHBondContact O-CD1 3.4Å; V114-I118 WeakPolarHBondContact O-CG1 3.41Å; V114-I118 PolarHBondContact O-N 2.8Å; I118-S120 PolarHBondContact O-N 3.34Å; I118-T121 PolarHBondContact O-OG1 3.43Å
119R71.3Confident85.9Confident107 Ų10761.5 Ų61.540%0.40433%0.329SS..Hα-helixtrans-73.4-17.4177.7-167.4174.5-178.8-170.5-2.9113.4L87 L115 K116 N117L87-R119 PolarHBondContact O-NH1 2.92Å; L115-R119 PolarHBondContact O-N 2.86Å; K116-R119 PolarHBondContact O-N 2.89Å; N117-R119 VanDerWaalsContact C-N 3.28Å; N117-R119 PolarHBondContact O-N 2.76Å
120S62.7Low85.1Confident105 Ų10562.3 Ų62.373%0.73434%0.337SS*.THydrogen-bonded Turntrans-93.4-5.3-176.4-53.50000113.3K116 N117 I118K116-S120 PolarHBondContact O-N 2.68Å; K116-S120 PolarHBondContact O-OG 3.47Å; N117-S120 PolarHBondContact O-N 2.99Å; N117-S120 VanDerWaalsContact O-N 3.07Å; I118-S120 PolarHBondContact O-N 3.34Å
121T53.1Low84.1Confident157 Ų15761.7 Ų61.796%0.96334%0.335SS*.  trans-104.70176.4540000111.2I118I118-T121 PolarHBondContact O-OG1 3.43Å

Retrieved 121 of 121 residues in 35.8 ms (Link to these results)

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