A0A096MT73_PAPAN Loading...

Ubiquitin-ribosomal protein eL40 fusion protein

Component of the 60S subunit of the ribosome.

AlphaFold DB (A0A096N9K8), UniProt , Accession A0A096MT73, Species PAPAN (Papio anubis, Olive baboon), Gene n/a, Length 128 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
1M93.5Very high93.7Very high74 Ų7468 Ų6837%0.36537%0.367SS..  0158.1066.1-179.3173.200110.1V17 P19 L56 I61 K63M1-V17 HydrophobicContact CE-CG2 4.06Å; M1-V17 HydrophobicContact CG-CG2 3.94Å; M1-V17 WeakPolarHBondContact CG-O 3.33Å; M1-V17 PolarHBondContact N-O 3.09Å; M1-V17 PolarHBondContact O-N 3.25Å; M1-P19 HydrophobicContact CE-CB 3.91Å; M1-P19 HydrophobicContact SD-CB 4.5Å; M1-L56 HydrophobicContact CE-CB 4.21Å; M1-L56 HydrophobicContact CE-CD1 3.91Å; M1-I61 WeakPolarHBondContact CE-O 3.47Å; M1-K63 HydrophobicContact CB-CB 4.29Å
2Q94.2Very high93.9Very high89 Ų8968.1 Ų68.142%0.41637%0.372SS..EExtended strand (participates in β ladder)trans-102.9136178.3-170.5174.513.900110.3L15 K63 E64Q2-L15 WeakPolarHBondContact CA-O 3.49Å; Q2-K63 CarbonylContact O-C 3.55Å; Q2-K63 WeakPolarHBondContact O-CA 3.24Å; Q2-E64 PolarHBondContact O-N 3.14Å
3I96.8Very high94Very high0 Ų063.5 Ų63.50%035%0.347CS..EExtended strand (participates in β ladder)trans-128.4162.6172.763.8170.1000110.6L15 V17 V26 I61 L67I3-L15 HydrophobicContact CG1-CB 3.98Å; I3-L15 PolarHBondContact N-O 3.29Å; I3-L15 PolarHBondContact O-N 3.37Å; I3-V17 HydrophobicContact CB-CG2 4.43Å; I3-V17 HydrophobicContact CD1-CG1 4.05Å; I3-V17 HydrophobicContact CD1-CG2 3.83Å; I3-V17 HydrophobicContact CG1-CG1 4.27Å; I3-V17 HydrophobicContact CG1-CG2 3.79Å; I3-V17 HydrophobicContact CG2-CG2 3.89Å; I3-V26 HydrophobicContact CD1-CG1 4.47Å; I3-I61 HydrophobicContact CG2-CG2 4.12Å; I3-L67 HydrophobicContact CB-CD1 4.43Å; I3-L67 HydrophobicContact CD1-CD1 3.97Å
4F97Very high94.1Very high58 Ų5863.6 Ų63.625%0.25435%0.351SS..EExtended strand (participates in β ladder)trans-112.2139.1177.8-58-74.4000110.7T12 I13 T14 E64 S65 T66 L67F4-T12 HydrophobicContact CB-CG2 4Å; F4-T12 HydrophobicContact CD1-CG2 4.01Å; F4-T12 HydrophobicContact CG-CG2 4.38Å; F4-I13 CarbonylContact C-O 3.58Å; F4-I13 WeakPolarHBondContact CA-O 3.22Å; F4-T14 HydrophobicContact CD1-CG2 3.82Å; F4-T14 HydrophobicContact CE1-CG2 3.7Å; F4-E64 WeakPolarHBondContact CD2-O 3.41Å; F4-E64 HydrophobicContact CE2-CB 3.93Å; F4-E64 HydrophobicContact CE2-CG 4.12Å; F4-S65 PolarHBondContact N-O 2.75Å; F4-T66 HydrophobicContact CB-CG2 4.42Å; F4-T66 CarbonylContact O-C 3.59Å; F4-T66 WeakPolarHBondContact O-CA 3.45Å; F4-L67 PolarHBondContact O-N 2.92Å
5V96.7Very high94.2Very high0 Ų059.6 Ų59.60%033%0.328CS..EExtended strand (participates in β ladder)trans-120.3114.6173-178.20000108.8T12 I13 L15 I30 L43 L67 L69V5-T12 CarbonylContact O-C 3.51Å; V5-T12 WeakPolarHBondContact O-CA 3.49Å; V5-I13 HydrophobicContact CB-CB 4.37Å; V5-I13 PolarHBondContact N-O 3.37Å; V5-I13 PolarHBondContact O-N 3.21Å; V5-L15 HydrophobicContact CG2-CD1 3.55Å; V5-L15 HydrophobicContact CG2-CG 4.32Å; V5-I30 HydrophobicContact CG1-CD1 4.27Å; V5-I30 HydrophobicContact CG2-CD1 4.26Å; V5-L43 HydrophobicContact CG1-CD2 4.27Å; V5-L67 CarbonylContact C-O 3.54Å; V5-L67 WeakPolarHBondContact CA-O 3.09Å; V5-L67 HydrophobicContact CG2-CB 4.41Å; V5-L69 HydrophobicContact CG1-CB 3.62Å
6K96.9Very high94.3Very high88 Ų8865.9 Ų65.938%0.38336%0.355SS..EExtended strand (participates in β ladder)trans-92.3125174.2-77-173.7-178.7179.90110.5T12 T66 L67 H68 L69K6-T12 HydrophobicContact CG-CG2 4.32Å; K6-T66 HydrophobicContact CB-CG2 4.27Å; K6-T66 HydrophobicContact CD-CG2 3.77Å; K6-T66 HydrophobicContact CG-CG2 3.74Å; K6-L67 PolarHBondContact N-O 3.26Å; K6-H68 CarbonylContact O-C 3.53Å; K6-H68 WeakPolarHBondContact O-CA 3.09Å; K6-L69 PolarHBondContact O-N 2.88Å
7T93.2Very high94.4Very high21 Ų2162.3 Ų62.313%0.12934%0.335CS..EExtended strand (participates in β ladder)trans-83.1163.8172.562.20000110.9T9 G10 K11 I13 L69T7-T9 PolarHBondContact O-N 2.86Å; T7-T9 VanDerWaalsContact O-N 3.16Å; T7-T9 PolarHBondContact OG1-OG1 3.5Å; T7-T9 VanDerWaalsContact OG1-OG1 3.05Å; T7-G10 PolarHBondContact O-N 3.1Å; T7-K11 PolarHBondContact N-O 2.89Å; T7-K11 WeakPolarHBondContact OG1-CB 3.48Å; T7-K11 PolarHBondContact OG1-N 3.05Å; T7-K11 PolarHBondContact OG1-O 3.05Å; T7-I13 HydrophobicContact CG2-CD1 3.84Å; T7-L69 HydrophobicContact CG2-CD2 4.27Å
8L89.3Confident94.4Very high133 Ų13365.6 Ų65.670%0.69635%0.348SS*.THydrogen-bonded Turntrans-57.5-25.6173.9-67.6177.3000113.9G10 V70L8-G10 PolarHBondContact O-N 3.14Å; L8-V70 HydrophobicContact CD1-CG1 4.19Å; L8-V70 HydrophobicContact CD2-CG2 4.01Å; L8-V70 HydrophobicContact CG-CG2 4.48Å
9T88.9Confident94.3Very high125 Ų12565.4 Ų65.477%0.76735%0.351SS*.THydrogen-bonded Turntrans-83.21.5178.659.10000112.8T7 K11T7-T9 PolarHBondContact O-N 2.86Å; T7-T9 VanDerWaalsContact O-N 3.16Å; T7-T9 PolarHBondContact OG1-OG1 3.5Å; T7-T9 VanDerWaalsContact OG1-OG1 3.05Å; T9-K11 VanDerWaalsContact C-N 3.29Å; T9-K11 PolarHBondContact O-N 2.77Å
10G90.4Very high94.3Very high56 Ų5665.8 Ų65.858%0.57736%0.359SS*.SBendtrans84.3-4.8-17800000114.5T7 L8 T12T7-G10 PolarHBondContact O-N 3.1Å; L8-G10 PolarHBondContact O-N 3.14Å; G10-T12 PolarHBondContact O-N 2.94Å
11K94.2Very high94.4Very high104 Ų10463.6 Ų63.645%0.45235%0.347SS..  trans-65.9131.1173.6-176.7-175.3175.4-1690109.8T7 T9 E34T7-K11 PolarHBondContact N-O 2.89Å; T7-K11 WeakPolarHBondContact OG1-CB 3.48Å; T7-K11 PolarHBondContact OG1-N 3.05Å; T7-K11 PolarHBondContact OG1-O 3.05Å; T9-K11 VanDerWaalsContact C-N 3.29Å; T9-K11 PolarHBondContact O-N 2.77Å; K11-E34 WeakPolarHBondContact CE-OE1 3.42Å; K11-E34 IonicContact NZ-OE1 3.49Å; K11-E34 PolarHBondContact NZ-OE1 2.89Å; K11-E34 IonicContact NZ-OE2 2.65Å; K11-E34 PolarHBondContact NZ-OE2 3.48Å
12T95.3Very high94.5Very high69 Ų6961.9 Ų61.942%0.42334%0.341SS..EExtended strand (participates in β ladder)trans-104.4128.1176.4-55.60000109.7F4 V5 K6 G10F4-T12 HydrophobicContact CB-CG2 4Å; F4-T12 HydrophobicContact CD1-CG2 4.01Å; F4-T12 HydrophobicContact CG-CG2 4.38Å; V5-T12 CarbonylContact O-C 3.51Å; V5-T12 WeakPolarHBondContact O-CA 3.49Å; K6-T12 HydrophobicContact CG-CG2 4.32Å; G10-T12 PolarHBondContact O-N 2.94Å
13I95.3Very high94.6Very high9 Ų957.7 Ų57.75%0.04632%0.321CS..EExtended strand (participates in β ladder)trans-110.6132.5179.4-56155.9000107.8F4 V5 T7 L15 K33 E34F4-I13 CarbonylContact C-O 3.58Å; F4-I13 WeakPolarHBondContact CA-O 3.22Å; V5-I13 HydrophobicContact CB-CB 4.37Å; V5-I13 PolarHBondContact N-O 3.37Å; V5-I13 PolarHBondContact O-N 3.21Å; T7-I13 HydrophobicContact CG2-CD1 3.84Å; I13-L15 HydrophobicContact CG2-CD2 4.24Å; I13-L15 HydrophobicContact CG2-CG 4.44Å; I13-K33 HydrophobicContact CG2-CD 4.02Å; I13-E34 HydrophobicContact CD1-CG 3.4Å; I13-E34 VanDerWaalsContact CD1-CG 3.4Å; I13-E34 HydrophobicContact CG1-CG 4.3Å
14T96.2Very high94.6Very high65 Ų6563.3 Ų63.340%0.39935%0.347SS..EExtended strand (participates in β ladder)trans-90.9133.8173.451.40000110F4 K33F4-T14 HydrophobicContact CD1-CG2 3.82Å; F4-T14 HydrophobicContact CE1-CG2 3.7Å; T14-K33 PolarHBondContact O-NZ 2.77Å
15L95.8Very high94.5Very high3 Ų364.2 Ų64.22%0.01636%0.355CS..EExtended strand (participates in β ladder)trans-127.6138.7176.2-64.2174.4000111Q2 I3 V5 I13 V17 V26 K29 I30 K33Q2-L15 WeakPolarHBondContact CA-O 3.49Å; I3-L15 HydrophobicContact CG1-CB 3.98Å; I3-L15 PolarHBondContact N-O 3.29Å; I3-L15 PolarHBondContact O-N 3.37Å; V5-L15 HydrophobicContact CG2-CD1 3.55Å; V5-L15 HydrophobicContact CG2-CG 4.32Å; I13-L15 HydrophobicContact CG2-CD2 4.24Å; I13-L15 HydrophobicContact CG2-CG 4.44Å; L15-V17 HydrophobicContact CB-CG1 4.11Å; L15-V26 HydrophobicContact CD1-CG1 4.14Å; L15-K29 HydrophobicContact CD2-CB 4.32Å; L15-I30 HydrophobicContact CD1-CD1 4.09Å; L15-I30 HydrophobicContact CD1-CG1 3.57Å; L15-K33 HydrophobicContact CD2-CD 3.81Å
16E95.3Very high94.4Very high161 Ų16164.2 Ų64.275%0.75236%0.355SS*.EExtended strand (participates in β ladder)trans-95.2119.1168.4-67.1-171.9171.300109.3K29E16-K29 PolarHBondContact O-NZ 3.01Å
17V95.4Very high94.4Very high4 Ų460.5 Ų60.52%0.02434%0.339CS..  trans-139.7155.7-172.1-61.80000111M1 I3 L15 D21 V26 K29 L56M1-V17 HydrophobicContact CE-CG2 4.06Å; M1-V17 HydrophobicContact CG-CG2 3.94Å; M1-V17 WeakPolarHBondContact CG-O 3.33Å; M1-V17 PolarHBondContact N-O 3.09Å; M1-V17 PolarHBondContact O-N 3.25Å; I3-V17 HydrophobicContact CB-CG2 4.43Å; I3-V17 HydrophobicContact CD1-CG1 4.05Å; I3-V17 HydrophobicContact CD1-CG2 3.83Å; I3-V17 HydrophobicContact CG1-CG1 4.27Å; I3-V17 HydrophobicContact CG1-CG2 3.79Å; I3-V17 HydrophobicContact CG2-CG2 3.89Å; L15-V17 HydrophobicContact CB-CG1 4.11Å; V17-D21 WeakPolarHBondContact CA-OD2 3.33Å; V17-V26 HydrophobicContact CG1-CG2 4.19Å; V17-K29 HydrophobicContact CG1-CD 4.21Å; V17-L56 HydrophobicContact CB-CD1 3.72Å; V17-L56 HydrophobicContact CG1-CD1 4.34Å; V17-L56 HydrophobicContact CG2-CD1 3.49Å; V17-L56 VanDerWaalsContact CG2-CD1 3.49Å
18E95Very high94.5Very high121 Ų12161.3 Ų61.357%0.56535%0.347SS*.  trans-99.3148.2169.3-65.3-168.3168.700110.4S20 D21E18-S20 WeakPolarHBondContact CB-OG 3.45Å; E18-S20 PolarHBondContact O-N 3.43Å; E18-S20 VanDerWaalsContact O-N 3.16Å; E18-S20 PolarHBondContact OE2-OG 3.2Å; E18-D21 PolarHBondContact N-OD2 3.28Å; E18-D21 VanDerWaalsContact O-CB 3.25Å; E18-D21 WeakPolarHBondContact O-CB 3.41Å; E18-D21 PolarHBondContact O-N 3Å
19P93Very high94.8Very high62 Ų6258.1 Ų58.140%0.40333%0.328SS..THydrogen-bonded Turntrans-61.6-22.6178.126.4-34.8000113M1 S57M1-P19 HydrophobicContact CE-CB 3.91Å; M1-P19 HydrophobicContact SD-CB 4.5Å; P19-S57 VanDerWaalsContact C-OG 3.23Å; P19-S57 WeakPolarHBondContact CB-OG 3.45Å; P19-S57 WeakPolarHBondContact O-CB 3.43Å; P19-S57 PolarHBondContact O-N 2.8Å; P19-S57 PolarHBondContact O-OG 3.32Å
20S94.4Very high95.1Very high74 Ų7452.2 Ų52.252%0.51729%0.292SS..THydrogen-bonded Turntrans-77.2-14.3171.742.70000114.1E18 T22 T55E18-S20 WeakPolarHBondContact CB-OG 3.45Å; E18-S20 PolarHBondContact O-N 3.43Å; E18-S20 VanDerWaalsContact O-N 3.16Å; E18-S20 PolarHBondContact OE2-OG 3.2Å; S20-T22 PolarHBondContact O-N 3.49Å; S20-T55 WeakPolarHBondContact O-CG2 3.48Å
21D95.3Very high95.3Very high20 Ų2053.2 Ų53.211%0.10728%0.281CS..  trans-61.2133.9179.8-81.5-30000110.1V17 E18 N25 V26 K29 T55 L56V17-D21 WeakPolarHBondContact CA-OD2 3.33Å; E18-D21 PolarHBondContact N-OD2 3.28Å; E18-D21 VanDerWaalsContact O-CB 3.25Å; E18-D21 WeakPolarHBondContact O-CB 3.41Å; E18-D21 PolarHBondContact O-N 3Å; D21-N25 HydrophobicContact CB-CB 4.44Å; D21-V26 HydrophobicContact CB-CG2 4.3Å; D21-K29 IonicContact OD2-NZ 2.63Å; D21-K29 PolarHBondContact OD2-NZ 2.91Å; D21-T55 CarbonylContact O-C 3.57Å; D21-T55 VanDerWaalsContact O-CA 3.31Å; D21-T55 WeakPolarHBondContact O-CA 3.49Å; D21-L56 HydrophobicContact CB-CD1 4.3Å; D21-L56 PolarHBondContact O-N 3.37Å
22T96.6Very high95.2Very high38 Ų3854.6 Ų54.623%0.23329%0.294CS..BIsolated β-bridgetrans-72157.4170.561.90000110.8S20 E24 N25 V26 R54 T55S20-T22 PolarHBondContact O-N 3.49Å; T22-E24 PolarHBondContact O-N 2.66Å; T22-N25 WeakPolarHBondContact O-CB 3.45Å; T22-N25 PolarHBondContact O-N 2.78Å; T22-N25 VanDerWaalsContact O-N 3.11Å; T22-N25 PolarHBondContact OG1-N 2.84Å; T22-N25 PolarHBondContact OG1-OD1 3.46Å; T22-V26 WeakPolarHBondContact O-CG2 3.36Å; T22-V26 PolarHBondContact O-N 2.78Å; T22-R54 CarbonylContact C-O 3.57Å; T22-R54 WeakPolarHBondContact CA-O 3.48Å; T22-T55 HydrophobicContact CG2-CG2 4.44Å
23I96.2Very high95.1Very high0 Ų056.8 Ų56.80%030%0.297CS..Hα-helixtrans-60.8-32.2173.7-61.1-53.8000111.3V26 K27 L43 L50 E51 R54 L56 Y59I23-V26 PolarHBondContact O-N 2.96Å; I23-K27 WeakPolarHBondContact O-CG 3.46Å; I23-K27 PolarHBondContact O-N 2.84Å; I23-L43 HydrophobicContact CG2-CD1 4.25Å; I23-L50 HydrophobicContact CD1-CB 4.09Å; I23-L50 HydrophobicContact CD1-CD1 3.65Å; I23-L50 HydrophobicContact CD1-CG 4.42Å; I23-L50 HydrophobicContact CG1-CB 3.99Å; I23-L50 HydrophobicContact CG1-CD1 4.47Å; I23-L50 HydrophobicContact CG2-CB 3.86Å; I23-E51 VanDerWaalsContact CB-O 3.29Å; I23-E51 WeakPolarHBondContact CB-O 3.44Å; I23-E51 VanDerWaalsContact CG1-O 3.3Å; I23-E51 WeakPolarHBondContact CG1-O 3.38Å; I23-R54 WeakPolarHBondContact CG1-O 3.44Å; I23-R54 PolarHBondContact N-O 3.34Å; I23-L56 HydrophobicContact CD1-CD2 3.81Å; I23-Y59 HydrophobicContact CD1-CD2 4.3Å; I23-Y59 HydrophobicContact CD1-CE2 4.44Å; I23-Y59 HydrophobicContact CG1-CD2 4.4Å; I23-Y59 HydrophobicContact CG1-CE2 4.08Å
24E95.9Very high94.9Very high118 Ų11859.4 Ų59.455%0.55131%0.309SS*.Hα-helixtrans-60.2-46.8172.2-172.2170.2-161.500112.2T22 V26 K27 A28 D52T22-E24 PolarHBondContact O-N 2.66Å; E24-V26 VanDerWaalsContact C-N 3.31Å; E24-V26 PolarHBondContact O-N 2.81Å; E24-K27 WeakPolarHBondContact O-CB 3.36Å; E24-K27 PolarHBondContact O-N 2.8Å; E24-A28 PolarHBondContact O-N 3.27Å; E24-D52 HydrophobicContact CB-CB 4.28Å; E24-D52 PolarHBondContact N-O 2.95Å
25N95.2Very high94.6Very high77 Ų7759 Ų5941%0.41232%0.318SS..Hα-helixtrans-62-39.6176.7-69.4-5.2000111.7D21 T22 K27 A28 K29D21-N25 HydrophobicContact CB-CB 4.44Å; T22-N25 WeakPolarHBondContact O-CB 3.45Å; T22-N25 PolarHBondContact O-N 2.78Å; T22-N25 VanDerWaalsContact O-N 3.11Å; T22-N25 PolarHBondContact OG1-N 2.84Å; T22-N25 PolarHBondContact OG1-OD1 3.46Å; N25-K27 VanDerWaalsContact C-N 3.34Å; N25-K27 PolarHBondContact O-N 2.98Å; N25-A28 WeakPolarHBondContact O-CB 3.34Å; N25-A28 PolarHBondContact O-N 3.26Å; N25-K29 WeakPolarHBondContact O-CG 3.3Å; N25-K29 PolarHBondContact O-N 3.4Å
26V95.6Very high94.4Very high0 Ų060.4 Ų60.40%033%0.325CS..Hα-helixtrans-63.4-41.2176.2177.30000111.1I3 L15 V17 D21 T22 I23 E24 A28 K29 I30 L43 L56I3-V26 HydrophobicContact CD1-CG1 4.47Å; L15-V26 HydrophobicContact CD1-CG1 4.14Å; V17-V26 HydrophobicContact CG1-CG2 4.19Å; D21-V26 HydrophobicContact CB-CG2 4.3Å; T22-V26 WeakPolarHBondContact O-CG2 3.36Å; T22-V26 PolarHBondContact O-N 2.78Å; I23-V26 PolarHBondContact O-N 2.96Å; E24-V26 VanDerWaalsContact C-N 3.31Å; E24-V26 PolarHBondContact O-N 2.81Å; V26-A28 VanDerWaalsContact C-N 3.35Å; V26-K29 PolarHBondContact O-N 2.83Å; V26-I30 HydrophobicContact CG1-CD1 4.29Å; V26-I30 WeakPolarHBondContact O-CG1 3.41Å; V26-I30 PolarHBondContact O-N 2.85Å; V26-L43 HydrophobicContact CB-CD1 4.47Å; V26-L43 HydrophobicContact CG1-CD1 3.91Å; V26-L56 HydrophobicContact CG2-CD1 3.9Å; V26-L56 HydrophobicContact CG2-CD2 4.06Å; V26-L56 HydrophobicContact CG2-CG 4.07Å
27K95.5Very high94.2Very high11 Ų1154.6 Ų54.65%0.04830%0.302CS..Hα-helixtrans-64.8-37.6175.4-71.7176.2175.1-176.70112.6I23 E24 N25 I30 Q31 P38 Q41 L43 D52I23-K27 WeakPolarHBondContact O-CG 3.46Å; I23-K27 PolarHBondContact O-N 2.84Å; E24-K27 WeakPolarHBondContact O-CB 3.36Å; E24-K27 PolarHBondContact O-N 2.8Å; N25-K27 VanDerWaalsContact C-N 3.34Å; N25-K27 PolarHBondContact O-N 2.98Å; K27-I30 WeakPolarHBondContact O-CB 3.29Å; K27-I30 PolarHBondContact O-N 2.97Å; K27-Q31 PolarHBondContact O-N 2.9Å; K27-P38 HydrophobicContact CB-CB 3.92Å; K27-P38 HydrophobicContact CB-CG 4.49Å; K27-P38 HydrophobicContact CD-CB 4.46Å; K27-Q41 VanDerWaalsContact CA-OE1 3.26Å; K27-Q41 HydrophobicContact CD-CB 4.25Å; K27-Q41 WeakPolarHBondContact CE-O 3.38Å; K27-Q41 HydrophobicContact CG-CB 4.16Å; K27-Q41 PolarHBondContact NZ-O 3.25Å; K27-Q41 PolarHBondContact O-NE2 3.39Å; K27-Q41 PolarHBondContact O-OE1 3.17Å; K27-L43 HydrophobicContact CG-CD1 3.91Å; K27-L43 HydrophobicContact CG-CG 4.41Å; K27-D52 WeakPolarHBondContact CD-OD1 3.46Å; K27-D52 WeakPolarHBondContact CE-OD1 3.33Å; K27-D52 IonicContact NZ-OD1 3.39Å; K27-D52 PolarHBondContact NZ-OD1 2.73Å; K27-D52 IonicContact NZ-OD2 2.81Å; K27-D52 PolarHBondContact NZ-OD2 2.94Å
28A95.4Very high94.1Very high37 Ų3756.1 Ų56.131%0.30631%0.312SS..Hα-helixtrans-61.3-46.4173.400000111.2E24 N25 V26 I30 Q31 D32E24-A28 PolarHBondContact O-N 3.27Å; N25-A28 WeakPolarHBondContact O-CB 3.34Å; N25-A28 PolarHBondContact O-N 3.26Å; V26-A28 VanDerWaalsContact C-N 3.35Å; A28-I30 VanDerWaalsContact C-N 3.25Å; A28-I30 PolarHBondContact O-N 3.16Å; A28-Q31 WeakPolarHBondContact O-CA 3.41Å; A28-Q31 VanDerWaalsContact O-CB 3.24Å; A28-Q31 WeakPolarHBondContact O-CB 3.39Å; A28-Q31 PolarHBondContact O-N 3.16Å; A28-D32 PolarHBondContact O-N 2.92Å
29K95.6Very high93.8Very high67 Ų6753.6 Ų53.629%0.29130%0.302SS..Hα-helixtrans-59.4-34.5174.8-69.5176.3176.5-178.60112.9L15 E16 V17 D21 N25 V26 K33L15-K29 HydrophobicContact CD2-CB 4.32Å; E16-K29 PolarHBondContact O-NZ 3.01Å; V17-K29 HydrophobicContact CG1-CD 4.21Å; D21-K29 IonicContact OD2-NZ 2.63Å; D21-K29 PolarHBondContact OD2-NZ 2.91Å; N25-K29 WeakPolarHBondContact O-CG 3.3Å; N25-K29 PolarHBondContact O-N 3.4Å; V26-K29 PolarHBondContact O-N 2.83Å; K29-K33 PolarHBondContact O-N 3.44Å
30I94.8Very high93.7Very high0 Ų054.1 Ų54.10%030%0.299CS..Hα-helixtrans-69-38.9173.2-67.5166.5000111.1V5 L15 V26 K27 A28 D32 K33 E34 L43 L69V5-I30 HydrophobicContact CG1-CD1 4.27Å; V5-I30 HydrophobicContact CG2-CD1 4.26Å; L15-I30 HydrophobicContact CD1-CD1 4.09Å; L15-I30 HydrophobicContact CD1-CG1 3.57Å; V26-I30 HydrophobicContact CG1-CD1 4.29Å; V26-I30 WeakPolarHBondContact O-CG1 3.41Å; V26-I30 PolarHBondContact O-N 2.85Å; K27-I30 WeakPolarHBondContact O-CB 3.29Å; K27-I30 PolarHBondContact O-N 2.97Å; A28-I30 VanDerWaalsContact C-N 3.25Å; A28-I30 PolarHBondContact O-N 3.16Å; I30-D32 VanDerWaalsContact C-N 3.3Å; I30-D32 PolarHBondContact O-N 2.92Å; I30-K33 PolarHBondContact O-N 3.42Å; I30-E34 PolarHBondContact O-N 3.47Å; I30-L43 HydrophobicContact CD1-CD1 4.08Å; I30-L43 HydrophobicContact CD1-CD2 3.71Å; I30-L43 HydrophobicContact CD1-CG 4.41Å; I30-L69 HydrophobicContact CG2-CD2 3.88Å
31Q94.5Very high93.7Very high78 Ų7850.8 Ų50.836%0.36428%0.275SS..Hα-helixtrans-59.7-43.2175.3-179.5-176.29.200110.9K27 A28 K33 G35 I36 P38K27-Q31 PolarHBondContact O-N 2.9Å; A28-Q31 WeakPolarHBondContact O-CA 3.41Å; A28-Q31 VanDerWaalsContact O-CB 3.24Å; A28-Q31 WeakPolarHBondContact O-CB 3.39Å; A28-Q31 PolarHBondContact O-N 3.16Å; Q31-K33 PolarHBondContact O-N 2.96Å; Q31-G35 WeakPolarHBondContact O-CA 3.34Å; Q31-G35 PolarHBondContact O-N 3.2Å; Q31-I36 WeakPolarHBondContact CA-O 3.25Å; Q31-I36 VanDerWaalsContact CB-O 3.25Å; Q31-I36 WeakPolarHBondContact CB-O 3.45Å; Q31-I36 WeakPolarHBondContact CG-O 3.49Å; Q31-P38 HydrophobicContact CB-CG 4.39Å
32D93.8Very high93.6Very high133 Ų13353.8 Ų53.871%0.71129%0.285SS*.Hα-helixtrans-63.9-31.7180-63.7-31.8000112.6A28 I30A28-D32 PolarHBondContact O-N 2.92Å; I30-D32 VanDerWaalsContact C-N 3.3Å; I30-D32 PolarHBondContact O-N 2.92Å
33K92.8Very high93.6Very high115 Ų11552 Ų5250%0.527%0.274SS..Hα-helixtrans-87.7-42.7-179.2-68-164-179.7-163.20114.5I13 T14 L15 K29 I30 Q31I13-K33 HydrophobicContact CG2-CD 4.02Å; T14-K33 PolarHBondContact O-NZ 2.77Å; L15-K33 HydrophobicContact CD2-CD 3.81Å; K29-K33 PolarHBondContact O-N 3.44Å; I30-K33 PolarHBondContact O-N 3.42Å; Q31-K33 PolarHBondContact O-N 2.96Å
34E91.1Very high93.6Very high63 Ų6354.4 Ų54.429%0.29429%0.287SS..Hα-helixtrans-108.1-8.8-174.2-63.5-66.712300113.5K11 I13 I30 I36K11-E34 WeakPolarHBondContact CE-OE1 3.42Å; K11-E34 IonicContact NZ-OE1 3.49Å; K11-E34 PolarHBondContact NZ-OE1 2.89Å; K11-E34 IonicContact NZ-OE2 2.65Å; K11-E34 PolarHBondContact NZ-OE2 3.48Å; I13-E34 HydrophobicContact CD1-CG 3.4Å; I13-E34 VanDerWaalsContact CD1-CG 3.4Å; I13-E34 HydrophobicContact CG1-CG 4.3Å; I30-E34 PolarHBondContact O-N 3.47Å; E34-I36 HydrophobicContact CB-CD1 3.75Å; E34-I36 HydrophobicContact CB-CG1 3.99Å; E34-I36 HydrophobicContact CG-CD1 4.47Å; E34-I36 PolarHBondContact O-N 3.45Å
35G90.5Very high93.6Very high57 Ų5750.9 Ų50.959%0.58827%0.27SS*.  trans73.810.2-176.800000114.6Q31 P37Q31-G35 WeakPolarHBondContact O-CA 3.34Å; Q31-G35 PolarHBondContact O-N 3.2Å; G35-P37 WeakPolarHBondContact O-CD 3.31Å
36I90.4Very high93.6Very high32 Ų3251.4 Ų51.416%0.16429%0.285CS..  trans-85.8121.6-176.4-58.9162.5000109.4Q31 E34 Q40 Q41 L69 L71Q31-I36 WeakPolarHBondContact CA-O 3.25Å; Q31-I36 VanDerWaalsContact CB-O 3.25Å; Q31-I36 WeakPolarHBondContact CB-O 3.45Å; Q31-I36 WeakPolarHBondContact CG-O 3.49Å; E34-I36 HydrophobicContact CB-CD1 3.75Å; E34-I36 HydrophobicContact CB-CG1 3.99Å; E34-I36 HydrophobicContact CG-CD1 4.47Å; E34-I36 PolarHBondContact O-N 3.45Å; I36-Q40 HydrophobicContact CG2-CB 4.27Å; I36-Q41 HydrophobicContact CB-CG 4.36Å; I36-Q41 HydrophobicContact CG2-CG 3.69Å; I36-Q41 PolarHBondContact O-NE2 2.63Å; I36-L69 HydrophobicContact CD1-CD2 4.16Å; I36-L71 HydrophobicContact CD1-CD2 4.09Å; I36-L71 HydrophobicContact CG1-CD2 4.48Å; I36-L71 HydrophobicContact CG2-CD2 3.6Å
37P91.7Very high93.4Very high40 Ų4055 Ų5526%0.2632%0.322SS..  trans-59139177.9-27.637000113.6G35 D39 Q40 Q41G35-P37 WeakPolarHBondContact O-CD 3.31Å; P37-D39 WeakPolarHBondContact CB-OD1 3.38Å; P37-D39 PolarHBondContact O-N 3Å; P37-D39 VanDerWaalsContact O-N 3.14Å; P37-Q40 HydrophobicContact CB-CG 4.22Å; P37-Q40 WeakPolarHBondContact O-CA 3.42Å; P37-Q40 WeakPolarHBondContact O-CB 3.46Å; P37-Q40 PolarHBondContact O-N 2.8Å; P37-Q41 WeakPolarHBondContact O-CG 3.45Å; P37-Q41 PolarHBondContact O-N 2.88Å
38P92.4Very high93.3Very high36 Ų3661.6 Ų61.623%0.23435%0.35CS..G310 helixtrans-56.1-32.5-177.4-29.736000114.3K27 Q31 Q40 Q41K27-P38 HydrophobicContact CB-CB 3.92Å; K27-P38 HydrophobicContact CB-CG 4.49Å; K27-P38 HydrophobicContact CD-CB 4.46Å; Q31-P38 HydrophobicContact CB-CG 4.39Å; P38-Q40 PolarHBondContact O-N 2.87Å; P38-Q41 PolarHBondContact O-N 2.73Å; P38-Q41 VanDerWaalsContact O-N 3.08Å
39D89.9Confident93.3Very high68 Ų6864.9 Ų64.936%0.36436%0.359SS..G310 helixtrans-71.6-18.4179.676.9-53.4000113.4P37 R74P37-D39 WeakPolarHBondContact CB-OD1 3.38Å; P37-D39 PolarHBondContact O-N 3Å; P37-D39 VanDerWaalsContact O-N 3.14Å; D39-R74 PolarHBondContact O-NE 3.41Å; D39-R74 PolarHBondContact O-NH2 3.05Å; D39-R74 IonicContact OD2-CZ 3.15Å; D39-R74 IonicContact OD2-NE 2.82Å; D39-R74 PolarHBondContact OD2-NE 2.73Å; D39-R74 IonicContact OD2-NH1 2.73Å; D39-R74 PolarHBondContact OD2-NH1 2.8Å; D39-R74 IonicContact OD2-NH2 3.88Å
40Q90.6Very high93.3Very high73 Ų7361.8 Ų61.834%0.34135%0.346SS..G310 helixtrans-93.6-7172.4-60-177.86.400112.6I36 P37 P38 L71 R72I36-Q40 HydrophobicContact CG2-CB 4.27Å; P37-Q40 HydrophobicContact CB-CG 4.22Å; P37-Q40 WeakPolarHBondContact O-CA 3.42Å; P37-Q40 WeakPolarHBondContact O-CB 3.46Å; P37-Q40 PolarHBondContact O-N 2.8Å; P38-Q40 PolarHBondContact O-N 2.87Å; Q40-L71 CarbonylContact O-C 3.57Å; Q40-L71 WeakPolarHBondContact O-CA 3.35Å; Q40-R72 PolarHBondContact O-N 3.2Å
41Q93.3Very high93.3Very high3 Ų366.7 Ų66.71%0.01437%0.369CS..EExtended strand (participates in β ladder)trans-93.7134.3-179.3-61.5178.332.700111.7K27 I36 P37 P38 L69K27-Q41 VanDerWaalsContact CA-OE1 3.26Å; K27-Q41 HydrophobicContact CD-CB 4.25Å; K27-Q41 WeakPolarHBondContact CE-O 3.38Å; K27-Q41 HydrophobicContact CG-CB 4.16Å; K27-Q41 PolarHBondContact NZ-O 3.25Å; K27-Q41 PolarHBondContact O-NE2 3.39Å; K27-Q41 PolarHBondContact O-OE1 3.17Å; I36-Q41 HydrophobicContact CB-CG 4.36Å; I36-Q41 HydrophobicContact CG2-CG 3.69Å; I36-Q41 PolarHBondContact O-NE2 2.63Å; P37-Q41 WeakPolarHBondContact O-CG 3.45Å; P37-Q41 PolarHBondContact O-N 2.88Å; P38-Q41 PolarHBondContact O-N 2.73Å; P38-Q41 VanDerWaalsContact O-N 3.08Å; Q41-L69 HydrophobicContact CB-CD1 3.76Å; Q41-L69 HydrophobicContact CG-CD1 3.98Å
42R94.8Very high93.2Very high83 Ų8366.3 Ų66.331%0.31337%0.369SS..EExtended strand (participates in β ladder)trans-121.7118.8163.8-69.8-178.6-179-174.2-0.1108.9V70 R72R42-V70 HydrophobicContact CB-CB 4.37Å; R42-V70 WeakPolarHBondContact CB-O 3.25Å; R42-V70 PolarHBondContact N-O 3Å; R42-V70 PolarHBondContact O-N 3.03Å; R42-R72 HydrophobicContact CG-CB 4.3Å; R42-R72 VanDerWaalsContact NH2-CZ 3.31Å
43L95.8Very high93.2Very high0 Ų063.7 Ų63.70%037%0.373CS..EExtended strand (participates in β ladder)trans-95.8135.5173.9-65.3175.6000109.5V5 I23 V26 K27 I30 L50 L67 H68 L69V5-L43 HydrophobicContact CG1-CD2 4.27Å; I23-L43 HydrophobicContact CG2-CD1 4.25Å; V26-L43 HydrophobicContact CB-CD1 4.47Å; V26-L43 HydrophobicContact CG1-CD1 3.91Å; K27-L43 HydrophobicContact CG-CD1 3.91Å; K27-L43 HydrophobicContact CG-CG 4.41Å; I30-L43 HydrophobicContact CD1-CD1 4.08Å; I30-L43 HydrophobicContact CD1-CD2 3.71Å; I30-L43 HydrophobicContact CD1-CG 4.41Å; L43-L50 HydrophobicContact CB-CB 4.28Å; L43-L50 HydrophobicContact CB-CD1 3.94Å; L43-L50 HydrophobicContact CB-CG 4.26Å; L43-L50 PolarHBondContact O-N 2.93Å; L43-L67 HydrophobicContact CD1-CD2 4.4Å; L43-H68 CarbonylContact C-O 3.57Å; L43-H68 WeakPolarHBondContact CA-O 3.45Å; L43-L69 HydrophobicContact CD2-CB 4.17Å; L43-L69 HydrophobicContact CD2-CD1 3.88Å
44I96.4Very high93.3Very high51 Ų5163.4 Ų63.426%0.26237%0.369SS..EExtended strand (participates in β ladder)trans-127.4130.7-178.7-55.7174.4000108.4K48 H68 V70I44-K48 WeakPolarHBondContact CA-O 3.14Å; I44-H68 HydrophobicContact CB-CB 4.32Å; I44-H68 PolarHBondContact N-O 3.23Å; I44-H68 PolarHBondContact O-N 2.95Å; I44-V70 HydrophobicContact CD1-CB 4.44Å; I44-V70 HydrophobicContact CD1-CG2 3.64Å
45F96.4Very high93.6Very high45 Ų4562 Ų6220%0.19737%0.365CS..EExtended strand (participates in β ladder)trans-137.4135174.6-176.2-113.2000109.6G47 K48 L50 I61 L67F45-G47 PolarHBondContact O-N 3.06Å; F45-G47 VanDerWaalsContact O-N 3.1Å; F45-K48 PolarHBondContact N-O 2.99Å; F45-K48 PolarHBondContact O-N 3.31Å; F45-L50 HydrophobicContact CB-CD1 4.27Å; F45-L50 HydrophobicContact CB-CD2 4.03Å; F45-L50 HydrophobicContact CB-CG 4.42Å; F45-I61 HydrophobicContact CD1-CD1 4.26Å; F45-I61 HydrophobicContact CD1-CG1 3.77Å; F45-I61 HydrophobicContact CE1-CG1 3.82Å; F45-I61 HydrophobicContact CG-CD1 4.38Å; F45-I61 HydrophobicContact CG-CG1 4.2Å; F45-I61 HydrophobicContact CZ-CG1 4.31Å; F45-L67 HydrophobicContact CB-CG 4.46Å; F45-L67 HydrophobicContact CD2-CG 4.39Å
46A93.6Very high93.8Very high88 Ų8859.2 Ų59.273%0.72734%0.337SS*.THydrogen-bonded Turntrans4839.3-177.500000114K48A46-K48 PolarHBondContact O-N 3.49Å
47G92.4Very high94Very high75 Ų7560.2 Ų60.277%0.77335%0.346SS*.THydrogen-bonded Turntrans74.40.8-178.400000115.4F45F45-G47 PolarHBondContact O-N 3.06Å; F45-G47 VanDerWaalsContact O-N 3.1Å
48K94.1Very high94.2Very high150 Ų15062.9 Ų62.965%0.65236%0.358SS*.EExtended strand (participates in β ladder)trans-104.7135.5178-65.1-178.4-179.1177.40110.8I44 F45 A46I44-K48 WeakPolarHBondContact CA-O 3.14Å; F45-K48 PolarHBondContact N-O 2.99Å; F45-K48 PolarHBondContact O-N 3.31Å; A46-K48 PolarHBondContact O-N 3.49Å
49Q94.5Very high94.3Very high105 Ų10562.9 Ų62.949%0.49135%0.354SS..EExtended strand (participates in β ladder)trans-72.3133.7169.3-173.8-173.2-46.500109.1
50L95.6Very high94.5Very high2 Ų266 Ų661%0.0137%0.37CS..PPolyproline II helixtrans-82.5139.5178.6-54.4-174.3000111.2I23 L43 F45 Y59 I61 L67I23-L50 HydrophobicContact CD1-CB 4.09Å; I23-L50 HydrophobicContact CD1-CD1 3.65Å; I23-L50 HydrophobicContact CD1-CG 4.42Å; I23-L50 HydrophobicContact CG1-CB 3.99Å; I23-L50 HydrophobicContact CG1-CD1 4.47Å; I23-L50 HydrophobicContact CG2-CB 3.86Å; L43-L50 HydrophobicContact CB-CB 4.28Å; L43-L50 HydrophobicContact CB-CD1 3.94Å; L43-L50 HydrophobicContact CB-CG 4.26Å; L43-L50 PolarHBondContact O-N 2.93Å; F45-L50 HydrophobicContact CB-CD1 4.27Å; F45-L50 HydrophobicContact CB-CD2 4.03Å; F45-L50 HydrophobicContact CB-CG 4.42Å; L50-Y59 HydrophobicContact CB-CE2 4.25Å; L50-Y59 HydrophobicContact CD2-CD1 3.63Å; L50-Y59 HydrophobicContact CD2-CD2 3.72Å; L50-Y59 HydrophobicContact CD2-CE1 3.7Å; L50-Y59 HydrophobicContact CD2-CE2 3.77Å; L50-Y59 HydrophobicContact CD2-CG 3.64Å; L50-I61 HydrophobicContact CD1-CD1 3.98Å; L50-L67 HydrophobicContact CD1-CD2 3.67Å
51E95.1Very high94.7Very high103 Ų10362.8 Ų62.848%0.48136%0.356SS..PPolyproline II helixtrans-96.4138.2178.6-65.4175.3172.500111.1I23 G53 R54 Y59I23-E51 VanDerWaalsContact CB-O 3.29Å; I23-E51 WeakPolarHBondContact CB-O 3.44Å; I23-E51 VanDerWaalsContact CG1-O 3.3Å; I23-E51 WeakPolarHBondContact CG1-O 3.38Å; E51-G53 VanDerWaalsContact C-N 3.29Å; E51-G53 PolarHBondContact O-N 3.4Å; E51-R54 HydrophobicContact CB-CG 4.43Å; E51-R54 PolarHBondContact O-N 3.44Å; E51-R54 IonicContact OE1-NH2 2.8Å; E51-R54 IonicContact OE2-CZ 3.81Å; E51-R54 VanDerWaalsContact OE2-CZ 3.28Å; E51-R54 IonicContact OE2-NE 2.95Å; E51-R54 PolarHBondContact OE2-NE 3.07Å; E51-R54 IonicContact OE2-NH2 3.28Å; E51-R54 PolarHBondContact OE2-NH2 3.11Å; E51-Y59 PolarHBondContact N-OH 3.49Å; E51-Y59 VanDerWaalsContact N-OH 3.09Å
52D93.1Very high94.7Very high71 Ų7169.2 Ų69.238%0.3839%0.386SS..THydrogen-bonded Turntrans-61.7-33.2-173-67.5-29.2000113.7E24 K27 R54E24-D52 HydrophobicContact CB-CB 4.28Å; E24-D52 PolarHBondContact N-O 2.95Å; K27-D52 WeakPolarHBondContact CD-OD1 3.46Å; K27-D52 WeakPolarHBondContact CE-OD1 3.33Å; K27-D52 IonicContact NZ-OD1 3.39Å; K27-D52 PolarHBondContact NZ-OD1 2.73Å; K27-D52 IonicContact NZ-OD2 2.81Å; K27-D52 PolarHBondContact NZ-OD2 2.94Å; D52-R54 VanDerWaalsContact C-N 3.33Å; D52-R54 PolarHBondContact O-N 3.29Å
53G93.2Very high94.7Very high77 Ų7772 Ų7279%0.79440%0.4SS*.THydrogen-bonded Turntrans-832.8-17800000115.9E51E51-G53 VanDerWaalsContact C-N 3.29Å; E51-G53 PolarHBondContact O-N 3.4Å
54R95.6Very high94.6Very high110 Ų11077.8 Ų77.842%0.41543%0.427SS..SBendtrans-106.4159.9176.7-63.1-163.4-154.4-161.1-2.3111.1T22 I23 E51 D52 D58 Y59T22-R54 CarbonylContact C-O 3.57Å; T22-R54 WeakPolarHBondContact CA-O 3.48Å; I23-R54 WeakPolarHBondContact CG1-O 3.44Å; I23-R54 PolarHBondContact N-O 3.34Å; E51-R54 HydrophobicContact CB-CG 4.43Å; E51-R54 PolarHBondContact O-N 3.44Å; E51-R54 IonicContact OE1-NH2 2.8Å; E51-R54 IonicContact OE2-CZ 3.81Å; E51-R54 VanDerWaalsContact OE2-CZ 3.28Å; E51-R54 IonicContact OE2-NE 2.95Å; E51-R54 PolarHBondContact OE2-NE 3.07Å; E51-R54 IonicContact OE2-NH2 3.28Å; E51-R54 PolarHBondContact OE2-NH2 3.11Å; D52-R54 VanDerWaalsContact C-N 3.33Å; D52-R54 PolarHBondContact O-N 3.29Å; R54-D58 HydrophobicContact CB-CB 4.2Å; R54-Y59 HydrophobicContact CB-CD2 4.34Å; R54-Y59 HydrophobicContact CB-CE2 3.6Å; R54-Y59 WeakPolarHBondContact CD-OH 3.46Å; R54-Y59 HydrophobicContact CG-CE2 4.33Å
55T96.3Very high94.6Very high32 Ų3276.3 Ų76.320%0.19642%0.421CS..BIsolated β-bridgetrans-91.9166.3177.366.20000112.1S20 D21 T22 S57 D58 Y59S20-T55 WeakPolarHBondContact O-CG2 3.48Å; D21-T55 CarbonylContact O-C 3.57Å; D21-T55 VanDerWaalsContact O-CA 3.31Å; D21-T55 WeakPolarHBondContact O-CA 3.49Å; T22-T55 HydrophobicContact CG2-CG2 4.44Å; T55-S57 PolarHBondContact O-N 3.21Å; T55-S57 PolarHBondContact OG1-N 2.65Å; T55-D58 PolarHBondContact N-OD2 2.89Å; T55-D58 PolarHBondContact O-N 2.82Å; T55-D58 PolarHBondContact OG1-N 2.89Å; T55-D58 PolarHBondContact OG1-OD1 2.77Å; T55-D58 PolarHBondContact OG1-OD2 3.26Å; T55-Y59 WeakPolarHBondContact O-CD2 3.5Å
56L95.2Very high94.6Very high0 Ų076.4 Ų76.40%043%0.426CS..THydrogen-bonded Turntrans-60.4-36170.2-70.1178.2000112.1M1 V17 D21 I23 V26 Y59 N60 I61M1-L56 HydrophobicContact CE-CB 4.21Å; M1-L56 HydrophobicContact CE-CD1 3.91Å; V17-L56 HydrophobicContact CB-CD1 3.72Å; V17-L56 HydrophobicContact CG1-CD1 4.34Å; V17-L56 HydrophobicContact CG2-CD1 3.49Å; V17-L56 VanDerWaalsContact CG2-CD1 3.49Å; D21-L56 HydrophobicContact CB-CD1 4.3Å; D21-L56 PolarHBondContact O-N 3.37Å; I23-L56 HydrophobicContact CD1-CD2 3.81Å; V26-L56 HydrophobicContact CG2-CD1 3.9Å; V26-L56 HydrophobicContact CG2-CD2 4.06Å; V26-L56 HydrophobicContact CG2-CG 4.07Å; L56-Y59 PolarHBondContact O-N 3.47Å; L56-N60 PolarHBondContact O-N 3.17Å; L56-I61 HydrophobicContact CB-CB 4.26Å; L56-I61 HydrophobicContact CD2-CB 4.19Å; L56-I61 HydrophobicContact CD2-CD1 3.51Å; L56-I61 HydrophobicContact CD2-CG1 4.44Å; L56-I61 HydrophobicContact CD2-CG2 4.15Å; L56-I61 WeakPolarHBondContact O-CB 3.39Å; L56-I61 PolarHBondContact O-N 2.95Å
57S94.5Very high94.7Very high53 Ų5372.2 Ų72.237%0.37139%0.391SS..G310 helixtrans-63.2-39.3176.3-61.80000112.6P19 T55 Y59 N60P19-S57 VanDerWaalsContact C-OG 3.23Å; P19-S57 WeakPolarHBondContact CB-OG 3.45Å; P19-S57 WeakPolarHBondContact O-CB 3.43Å; P19-S57 PolarHBondContact O-N 2.8Å; P19-S57 PolarHBondContact O-OG 3.32Å; T55-S57 PolarHBondContact O-N 3.21Å; T55-S57 PolarHBondContact OG1-N 2.65Å; S57-Y59 PolarHBondContact O-N 3.35Å; S57-Y59 VanDerWaalsContact O-N 3.14Å; S57-N60 PolarHBondContact O-N 3.08Å; S57-N60 PolarHBondContact O-OD1 3.34Å
58D94.8Very high94.9Very high95 Ų9573.3 Ų73.351%0.50838%0.376SS..G310 helixtrans-61.3-25.3179.3-62.7-37.3000112.7R54 T55R54-D58 HydrophobicContact CB-CB 4.2Å; T55-D58 PolarHBondContact N-OD2 2.89Å; T55-D58 PolarHBondContact O-N 2.82Å; T55-D58 PolarHBondContact OG1-N 2.89Å; T55-D58 PolarHBondContact OG1-OD1 2.77Å; T55-D58 PolarHBondContact OG1-OD2 3.26Å
59Y95.1Very high95Very high37 Ų3766.5 Ų66.515%0.14535%0.347CS..G310 helixtrans-98.46.8175.6-69.2-72.6000113.5I23 L50 E51 R54 T55 L56 S57 I61I23-Y59 HydrophobicContact CD1-CD2 4.3Å; I23-Y59 HydrophobicContact CD1-CE2 4.44Å; I23-Y59 HydrophobicContact CG1-CD2 4.4Å; I23-Y59 HydrophobicContact CG1-CE2 4.08Å; L50-Y59 HydrophobicContact CB-CE2 4.25Å; L50-Y59 HydrophobicContact CD2-CD1 3.63Å; L50-Y59 HydrophobicContact CD2-CD2 3.72Å; L50-Y59 HydrophobicContact CD2-CE1 3.7Å; L50-Y59 HydrophobicContact CD2-CE2 3.77Å; L50-Y59 HydrophobicContact CD2-CG 3.64Å; E51-Y59 PolarHBondContact N-OH 3.49Å; E51-Y59 VanDerWaalsContact N-OH 3.09Å; R54-Y59 HydrophobicContact CB-CD2 4.34Å; R54-Y59 HydrophobicContact CB-CE2 3.6Å; R54-Y59 WeakPolarHBondContact CD-OH 3.46Å; R54-Y59 HydrophobicContact CG-CE2 4.33Å; T55-Y59 WeakPolarHBondContact O-CD2 3.5Å; L56-Y59 PolarHBondContact O-N 3.47Å; S57-Y59 PolarHBondContact O-N 3.35Å; S57-Y59 VanDerWaalsContact O-N 3.14Å; Y59-I61 PolarHBondContact O-N 3.32Å
60N94.3Very high94.9Very high132 Ų13263.4 Ų63.471%0.70633%0.334SS*.THydrogen-bonded Turntrans52.538.2-174.5-65.2-43.7000112.8L56 S57 Q62L56-N60 PolarHBondContact O-N 3.17Å; S57-N60 PolarHBondContact O-N 3.08Å; S57-N60 PolarHBondContact O-OD1 3.34Å; N60-Q62 PolarHBondContact O-N 3.41Å
61I94.8Very high94.7Very high6 Ų667.3 Ų67.33%0.03136%0.355CS..  trans-78.9116.2177.8-64.2168.5000108.2M1 I3 F45 L50 L56 Y59 L67M1-I61 WeakPolarHBondContact CE-O 3.47Å; I3-I61 HydrophobicContact CG2-CG2 4.12Å; F45-I61 HydrophobicContact CD1-CD1 4.26Å; F45-I61 HydrophobicContact CD1-CG1 3.77Å; F45-I61 HydrophobicContact CE1-CG1 3.82Å; F45-I61 HydrophobicContact CG-CD1 4.38Å; F45-I61 HydrophobicContact CG-CG1 4.2Å; F45-I61 HydrophobicContact CZ-CG1 4.31Å; L50-I61 HydrophobicContact CD1-CD1 3.98Å; L56-I61 HydrophobicContact CB-CB 4.26Å; L56-I61 HydrophobicContact CD2-CB 4.19Å; L56-I61 HydrophobicContact CD2-CD1 3.51Å; L56-I61 HydrophobicContact CD2-CG1 4.44Å; L56-I61 HydrophobicContact CD2-CG2 4.15Å; L56-I61 WeakPolarHBondContact O-CB 3.39Å; L56-I61 PolarHBondContact O-N 2.95Å; Y59-I61 PolarHBondContact O-N 3.32Å; I61-L67 HydrophobicContact CD1-CD2 4.27Å; I61-L67 HydrophobicContact CG2-CD1 4.14Å
62Q93.4Very high94.1Very high138 Ų13867.7 Ų67.765%0.64535%0.352SS*.  trans-101.9176.5-178-62.7-173.2-7.800111.7N60 S65N60-Q62 PolarHBondContact O-N 3.41Å; Q62-S65 PolarHBondContact N-OG 2.98Å; Q62-S65 WeakPolarHBondContact O-CB 3.48Å; Q62-S65 PolarHBondContact O-N 3.33Å; Q62-S65 PolarHBondContact O-OG 3.29Å
63K94.3Very high93.2Very high142 Ų14272.2 Ų72.262%0.61738%0.376SS*.THydrogen-bonded Turntrans-51.7144.7169.779.1175.5-169.9172.20110.2M1 Q2 S65M1-K63 HydrophobicContact CB-CB 4.29Å; Q2-K63 CarbonylContact O-C 3.55Å; Q2-K63 WeakPolarHBondContact O-CA 3.24Å; K63-S65 PolarHBondContact O-N 2.87Å
64E94.1Very high92Very high121 Ų12174.9 Ų74.957%0.56536%0.362SS*.THydrogen-bonded Turntrans638.9177.8-59.7166.5-162.900114.8Q2 F4Q2-E64 PolarHBondContact O-N 3.14Å; F4-E64 WeakPolarHBondContact CD2-O 3.41Å; F4-E64 HydrophobicContact CE2-CB 3.93Å; F4-E64 HydrophobicContact CE2-CG 4.12Å
65S96.2Very high90.4Very high20 Ų2073.4 Ų73.414%0.1438%0.38CS..  trans-63.2143172.2-63.60000111.1F4 Q62 K63F4-S65 PolarHBondContact N-O 2.75Å; Q62-S65 PolarHBondContact N-OG 2.98Å; Q62-S65 WeakPolarHBondContact O-CB 3.48Å; Q62-S65 PolarHBondContact O-N 3.33Å; Q62-S65 PolarHBondContact O-OG 3.29Å; K63-S65 PolarHBondContact O-N 2.87Å
66T96.1Very high89Confident47 Ų4774.9 Ų74.929%0.28840%0.402SS..EExtended strand (participates in β ladder)trans-107117177.4-57.40000111.2F4 K6F4-T66 HydrophobicContact CB-CG2 4.42Å; F4-T66 CarbonylContact O-C 3.59Å; F4-T66 WeakPolarHBondContact O-CA 3.45Å; K6-T66 HydrophobicContact CB-CG2 4.27Å; K6-T66 HydrophobicContact CD-CG2 3.77Å; K6-T66 HydrophobicContact CG-CG2 3.74Å
67L96.8Very high87.7Confident0 Ų083 Ų830%044%0.444CS..EExtended strand (participates in β ladder)trans-96.5151.1172.1-67.773.3000109.6I3 F4 V5 K6 L43 F45 L50 I61I3-L67 HydrophobicContact CB-CD1 4.43Å; I3-L67 HydrophobicContact CD1-CD1 3.97Å; F4-L67 PolarHBondContact O-N 2.92Å; V5-L67 CarbonylContact C-O 3.54Å; V5-L67 WeakPolarHBondContact CA-O 3.09Å; V5-L67 HydrophobicContact CG2-CB 4.41Å; K6-L67 PolarHBondContact N-O 3.26Å; L43-L67 HydrophobicContact CD1-CD2 4.4Å; F45-L67 HydrophobicContact CB-CG 4.46Å; F45-L67 HydrophobicContact CD2-CG 4.39Å; L50-L67 HydrophobicContact CD1-CD2 3.67Å; I61-L67 HydrophobicContact CD1-CD2 4.27Å; I61-L67 HydrophobicContact CG2-CD1 4.14Å
68H96.8Very high86.9Confident99 Ų9985.5 Ų85.546%0.45845%0.452SS..EExtended strand (participates in β ladder)trans-105126.5173.8-64.579.6000110.1K6 L43 I44K6-H68 CarbonylContact O-C 3.53Å; K6-H68 WeakPolarHBondContact O-CA 3.09Å; L43-H68 CarbonylContact C-O 3.57Å; L43-H68 WeakPolarHBondContact CA-O 3.45Å; I44-H68 HydrophobicContact CB-CB 4.32Å; I44-H68 PolarHBondContact N-O 3.23Å; I44-H68 PolarHBondContact O-N 2.95Å
69L95.1Very high86.3Confident7 Ų787.9 Ų87.94%0.03746%0.458CS..EExtended strand (participates in β ladder)trans-97.1120174.7176.663.8000110.3V5 K6 T7 I30 I36 Q41 L43V5-L69 HydrophobicContact CG1-CB 3.62Å; K6-L69 PolarHBondContact O-N 2.88Å; T7-L69 HydrophobicContact CG2-CD2 4.27Å; I30-L69 HydrophobicContact CG2-CD2 3.88Å; I36-L69 HydrophobicContact CD1-CD2 4.16Å; Q41-L69 HydrophobicContact CB-CD1 3.76Å; Q41-L69 HydrophobicContact CG-CD1 3.98Å; L43-L69 HydrophobicContact CD2-CB 4.17Å; L43-L69 HydrophobicContact CD2-CD1 3.88Å
70V93.2Very high85.9Confident39 Ų3991 Ų9124%0.23648%0.482CS..EExtended strand (participates in β ladder)trans-116.1137.5173.9-177.70000108.7L8 R42 I44L8-V70 HydrophobicContact CD1-CG1 4.19Å; L8-V70 HydrophobicContact CD2-CG2 4.01Å; L8-V70 HydrophobicContact CG-CG2 4.48Å; R42-V70 HydrophobicContact CB-CB 4.37Å; R42-V70 WeakPolarHBondContact CB-O 3.25Å; R42-V70 PolarHBondContact N-O 3Å; R42-V70 PolarHBondContact O-N 3.03Å; I44-V70 HydrophobicContact CD1-CB 4.44Å; I44-V70 HydrophobicContact CD1-CG2 3.64Å
71L90.4Very high85.6Confident84 Ų8488.2 Ų88.244%0.4447%0.473SS..EExtended strand (participates in β ladder)trans-81129.8176.3-65177.2000110.8I36 Q40 L73I36-L71 HydrophobicContact CD1-CD2 4.09Å; I36-L71 HydrophobicContact CG1-CD2 4.48Å; I36-L71 HydrophobicContact CG2-CD2 3.6Å; Q40-L71 CarbonylContact O-C 3.57Å; Q40-L71 WeakPolarHBondContact O-CA 3.35Å; L71-L73 PolarHBondContact O-N 2.77Å
72R83.3Confident85.2Confident111 Ų11192.4 Ų92.442%0.41950%0.495SS..  trans-79.6106.9166.4-167.3173.4-173.2139.7-1.7107.6Q40 R42 R74Q40-R72 PolarHBondContact O-N 3.2Å; R42-R72 HydrophobicContact CG-CB 4.3Å; R42-R72 VanDerWaalsContact NH2-CZ 3.31Å; R72-R74 PolarHBondContact O-N 3.37Å
73L74.1Confident84.9Confident167 Ų16788 Ų8887%0.87448%0.48SS*.  trans-65.796.2173.4-59.5177000109.2L71L71-L73 PolarHBondContact O-N 2.77Å
74R67.1Low84.5Confident133 Ų13387.5 Ų87.550%0.50248%0.479SS..PPolyproline II helixtrans-91.9138.5161-66.3-175.8-170.5-163.3-5.4107.3D39 R72 G76D39-R74 PolarHBondContact O-NE 3.41Å; D39-R74 PolarHBondContact O-NH2 3.05Å; D39-R74 IonicContact OD2-CZ 3.15Å; D39-R74 IonicContact OD2-NE 2.82Å; D39-R74 PolarHBondContact OD2-NE 2.73Å; D39-R74 IonicContact OD2-NH1 2.73Å; D39-R74 PolarHBondContact OD2-NH1 2.8Å; D39-R74 IonicContact OD2-NH2 3.88Å; R72-R74 PolarHBondContact O-N 3.37Å; R74-G76 PolarHBondContact O-N 3.32Å
75G62.9Low84.2Confident78 Ų7886 Ų8680%0.80448%0.475SS*.PPolyproline II helixtrans-53.9125.9170.400000108.9
76G67.4Low83.9Confident64 Ų6487.2 Ų87.266%0.6649%0.486SS*.PPolyproline II helixtrans-57.3155.4-17400000112.9R74 I78R74-G76 PolarHBondContact O-N 3.32Å; G76-I78 PolarHBondContact O-N 3.11Å; G76-I78 VanDerWaalsContact O-N 3.11Å
77I67.9Low83.5Confident171 Ų17188.5 Ų88.588%0.87749%0.489SS*.  trans-67.4110.7173.3-59.1172.3000107.8K79I77-K79 PolarHBondContact O-N 2.78Å
78I76.4Confident83Confident105 Ų10594.5 Ų94.554%0.53852%0.515SS..  trans-70.6121.3174.4-60.4175.9000107.8G76 L82 C83G76-I78 PolarHBondContact O-N 3.11Å; G76-I78 VanDerWaalsContact O-N 3.11Å; I78-L82 HydrophobicContact CG2-CB 3.55Å; I78-C83 HydrophobicContact CG2-CB 4.42Å; I78-C83 VanDerWaalsContact CG2-SG 3.53Å
79K82.9Confident82.6Confident145 Ų14596.5 Ų96.563%0.6352%0.519SS*.  trans-48.1140.9176-71.2-175.6177.4177.60110.8I77 S81 L82 C83I77-K79 PolarHBondContact O-N 2.78Å; K79-S81 PolarHBondContact O-N 3.32Å; K79-S81 VanDerWaalsContact O-N 3.09Å; K79-L82 HydrophobicContact CB-CD1 4.3Å; K79-L82 HydrophobicContact CB-CG 4.35Å; K79-L82 WeakPolarHBondContact O-CB 3.38Å; K79-L82 PolarHBondContact O-N 3.49Å; K79-C83 PolarHBondContact O-N 3.35Å
80P86Confident82.3Confident101 Ų101100.2 Ų100.266%0.65654%0.539SS*.Hα-helixtrans-52.2-38.1-177.8-29.335.1000114.1C83 Q84P80-C83 WeakPolarHBondContact O-CB 3.49Å; P80-C83 PolarHBondContact O-N 3.37Å; P80-Q84 WeakPolarHBondContact O-CG 2.96Å; P80-Q84 PolarHBondContact O-N 3Å
81S88.1Confident82.1Confident75 Ų75104.3 Ų104.352%0.52455%0.551SS.*Hα-helixtrans-63.7-40.9176.753.90000113.3K79 Q84 L85K79-S81 PolarHBondContact O-N 3.32Å; K79-S81 VanDerWaalsContact O-N 3.09Å; S81-Q84 PolarHBondContact O-N 2.95Å; S81-L85 WeakPolarHBondContact O-CB 3.32Å; S81-L85 PolarHBondContact O-N 3.04Å
82L87.6Confident82.1Confident93 Ų93103.9 Ų103.949%0.48755%0.548SS..Hα-helixtrans-69-37.1175.4-66.9177.7000111.3I78 K79 L85 A86I78-L82 HydrophobicContact CG2-CB 3.55Å; K79-L82 HydrophobicContact CB-CD1 4.3Å; K79-L82 HydrophobicContact CB-CG 4.35Å; K79-L82 WeakPolarHBondContact O-CB 3.38Å; K79-L82 PolarHBondContact O-N 3.49Å; L82-L85 PolarHBondContact O-N 2.9Å; L82-A86 WeakPolarHBondContact O-CB 3.28Å; L82-A86 PolarHBondContact O-N 2.9Å
83C85.5Confident82.7Confident47 Ų47100.5 Ų100.532%0.31854%0.537SS..Hα-helixtrans-59.7-46.8171.2-88.90000111.5I78 K79 P80 A86 Q87I78-C83 HydrophobicContact CG2-CB 4.42Å; I78-C83 VanDerWaalsContact CG2-SG 3.53Å; K79-C83 PolarHBondContact O-N 3.35Å; P80-C83 WeakPolarHBondContact O-CB 3.49Å; P80-C83 PolarHBondContact O-N 3.37Å; C83-A86 PolarHBondContact O-N 3.39Å; C83-Q87 WeakPolarHBondContact O-CB 3.48Å; C83-Q87 WeakPolarHBondContact O-CG 3.2Å; C83-Q87 PolarHBondContact O-N 3.31Å
84Q86.1Confident83.8Confident131 Ų13194.5 Ų94.561%0.61251%0.505SS*.Hα-helixtrans-62.2-42.8176.7-72.1173.3-1.800112P80 S81 Q87 K88P80-Q84 WeakPolarHBondContact O-CG 2.96Å; P80-Q84 PolarHBondContact O-N 3Å; S81-Q84 PolarHBondContact O-N 2.95Å; Q84-Q87 WeakPolarHBondContact O-CB 3.44Å; Q84-Q87 PolarHBondContact O-N 3.45Å; Q84-K88 PolarHBondContact O-N 2.93Å
85L89.2Confident85.2Confident89 Ų8988.9 Ų88.947%0.46649%0.485SS..Hα-helixtrans-59.4-49.2175.4-175.464.6000111.1S81 L82 Q87 K88 Y89S81-L85 WeakPolarHBondContact O-CB 3.32Å; S81-L85 PolarHBondContact O-N 3.04Å; L82-L85 PolarHBondContact O-N 2.9Å; L85-Q87 VanDerWaalsContact C-N 3.31Å; L85-Q87 PolarHBondContact O-N 2.87Å; L85-K88 WeakPolarHBondContact O-CB 3.44Å; L85-K88 PolarHBondContact O-N 2.86Å; L85-Y89 HydrophobicContact CD1-CD2 4.25Å; L85-Y89 HydrophobicContact CD1-CE2 3.71Å; L85-Y89 HydrophobicContact CG-CD2 4.43Å; L85-Y89 HydrophobicContact CG-CE2 4.26Å; L85-Y89 VanDerWaalsContact O-CD2 3.32Å; L85-Y89 WeakPolarHBondContact O-CD2 3.36Å; L85-Y89 PolarHBondContact O-N 3.46Å
86A88.3Confident86.9Confident46 Ų4685.1 Ų85.138%0.3845%0.446SS..Hα-helixtrans-61-40.117700000111.8L82 C83 K88 Y89 N90L82-A86 WeakPolarHBondContact O-CB 3.28Å; L82-A86 PolarHBondContact O-N 2.9Å; C83-A86 PolarHBondContact O-N 3.39Å; A86-K88 VanDerWaalsContact C-N 3.35Å; A86-K88 PolarHBondContact O-N 3.26Å; A86-Y89 PolarHBondContact O-N 2.88Å; A86-N90 VanDerWaalsContact O-CB 3.28Å; A86-N90 WeakPolarHBondContact O-CB 3.36Å; A86-N90 PolarHBondContact O-N 3.3Å; A86-N90 PolarHBondContact O-ND2 2.95Å
87Q87.4Confident88.3Confident73 Ų7388.4 Ų88.434%0.34144%0.439SS..Hα-helixtrans-61.4-40.4175.6-73.7175.811.300112.2C83 Q84 L85 Y89 N90 R91 N92C83-Q87 WeakPolarHBondContact O-CB 3.48Å; C83-Q87 WeakPolarHBondContact O-CG 3.2Å; C83-Q87 PolarHBondContact O-N 3.31Å; Q84-Q87 WeakPolarHBondContact O-CB 3.44Å; Q84-Q87 PolarHBondContact O-N 3.45Å; L85-Q87 VanDerWaalsContact C-N 3.31Å; L85-Q87 PolarHBondContact O-N 2.87Å; Q87-Y89 VanDerWaalsContact C-N 3.32Å; Q87-Y89 PolarHBondContact O-N 3.35Å; Q87-N90 PolarHBondContact O-N 3.03Å; Q87-R91 WeakPolarHBondContact O-CA 3.36Å; Q87-R91 PolarHBondContact O-N 3.09Å; Q87-N92 PolarHBondContact O-N 3.46Å
88K87.8Confident89.7Confident127 Ų12786.7 Ų86.755%0.55243%0.425SS*.Hα-helixtrans-58-41.9176.2-176.9-177.1176.8-1780112.4Q84 L85 A86 K93Q84-K88 PolarHBondContact O-N 2.93Å; L85-K88 WeakPolarHBondContact O-CB 3.44Å; L85-K88 PolarHBondContact O-N 2.86Å; A86-K88 VanDerWaalsContact C-N 3.35Å; A86-K88 PolarHBondContact O-N 3.26Å; K88-K93 WeakPolarHBondContact O-CE 3.32Å; K88-K93 PolarHBondContact O-NZ 2.95Å
89Y88.6Confident90.7Very high140 Ų14082.5 Ų82.555%0.54941%0.405SS..Hα-helixtrans-81.6-36.9-179.5-73.6-77000113.1L85 A86 Q87 K93L85-Y89 HydrophobicContact CD1-CD2 4.25Å; L85-Y89 HydrophobicContact CD1-CE2 3.71Å; L85-Y89 HydrophobicContact CG-CD2 4.43Å; L85-Y89 HydrophobicContact CG-CE2 4.26Å; L85-Y89 VanDerWaalsContact O-CD2 3.32Å; L85-Y89 WeakPolarHBondContact O-CD2 3.36Å; L85-Y89 PolarHBondContact O-N 3.46Å; A86-Y89 PolarHBondContact O-N 2.88Å; Q87-Y89 VanDerWaalsContact C-N 3.32Å; Q87-Y89 PolarHBondContact O-N 3.35Å; Y89-K93 WeakPolarHBondContact O-CE 3.2Å
90N88.6Confident91.4Very high86 Ų8683.7 Ų83.746%0.4641%0.406SS..Hα-helixtrans-106.9-29-166.1-64-31.8000114.8A86 Q87 K124A86-N90 VanDerWaalsContact O-CB 3.28Å; A86-N90 WeakPolarHBondContact O-CB 3.36Å; A86-N90 PolarHBondContact O-N 3.3Å; A86-N90 PolarHBondContact O-ND2 2.95Å; Q87-N90 PolarHBondContact O-N 3.03Å; N90-K124 PolarHBondContact O-NZ 3.13Å
91R87.9Confident92Very high125 Ų12579.5 Ų79.547%0.47238%0.38SS..THydrogen-bonded Turntrans-114.3-45.1-171.6-60.5-166.5-171.5175.5-2.9113.3Q87 K93Q87-R91 WeakPolarHBondContact O-CA 3.36Å; Q87-R91 PolarHBondContact O-N 3.09Å; R91-K93 VanDerWaalsContact C-N 3.26Å; R91-K93 PolarHBondContact O-N 3.48Å
92N91.2Very high92.4Very high74 Ų7482.9 Ų82.940%0.39638%0.382SS..SBendtrans-76.875.6-176.6-64.8-11000110.7Q87 P105Q87-N92 PolarHBondContact O-N 3.46Å; N92-P105 VanDerWaalsContact O-CD 3.31Å; N92-P105 WeakPolarHBondContact O-CD 3.02Å; N92-P105 VanDerWaalsContact O-CG 3.27Å; N92-P105 WeakPolarHBondContact O-CG 3.14Å
93K95.3Very high92.8Very high41 Ų4179 Ų7918%0.17836%0.361CS..  trans-141.8150-175.3-60-66.3171.5-161.30110.5K88 Y89 R91 R102 L103 K124K88-K93 WeakPolarHBondContact O-CE 3.32Å; K88-K93 PolarHBondContact O-NZ 2.95Å; Y89-K93 WeakPolarHBondContact O-CE 3.2Å; R91-K93 VanDerWaalsContact C-N 3.26Å; R91-K93 PolarHBondContact O-N 3.48Å; K93-R102 HydrophobicContact CB-CG 3.84Å; K93-R102 HydrophobicContact CD-CG 4.31Å; K93-R102 HydrophobicContact CG-CG 3.87Å; K93-L103 WeakPolarHBondContact CA-O 3.35Å; K93-L103 WeakPolarHBondContact CB-O 3.4Å; K93-L103 WeakPolarHBondContact CD-O 3.44Å; K93-K124 WeakPolarHBondContact O-CB 3.19Å; K93-K124 PolarHBondContact O-N 3.15Å
94M96.6Very high93.3Very high40 Ų4082 Ų8220%0.19737%0.37CS..EExtended strand (participates in β ladder)trans-88.3154.6166.1-66.4-62.7-84.900109.7L103 P105 L121 R122 P123M94-L103 HydrophobicContact CB-CB 3.98Å; M94-L103 PolarHBondContact N-O 3.18Å; M94-L103 VanDerWaalsContact N-O 3.11Å; M94-L103 PolarHBondContact O-N 3.34Å; M94-P105 WeakPolarHBondContact CG-O 3.37Å; M94-L121 HydrophobicContact CE-CB 3.86Å; M94-R122 CarbonylContact C-O 3.59Å; M94-R122 WeakPolarHBondContact CA-O 3.49Å; M94-P123 HydrophobicContact SD-CB 4.34Å
95I97.8Very high93.7Very high15 Ų1578.5 Ų78.58%0.07736%0.359CS..EExtended strand (participates in β ladder)trans-127.5129.6178.2-54-64.6000108.1A101 R102 L121 R122 K124I95-A101 VanDerWaalsContact CA-O 3.32Å; I95-A101 WeakPolarHBondContact CA-O 3.49Å; I95-R102 HydrophobicContact CD1-CB 4.35Å; I95-R102 HydrophobicContact CD1-CG 4.33Å; I95-L121 CarbonylContact O-C 3.6Å; I95-L121 WeakPolarHBondContact O-CA 3.47Å; I95-R122 HydrophobicContact CB-CG 4.13Å; I95-R122 PolarHBondContact N-O 2.88Å; I95-R122 PolarHBondContact O-N 3.47Å; I95-K124 HydrophobicContact CD1-CB 4.17Å; I95-K124 HydrophobicContact CD1-CD 4.43Å; I95-K124 HydrophobicContact CD1-CG 4.25Å; I95-K124 HydrophobicContact CG1-CB 3.85Å; I95-K124 HydrophobicContact CG1-CG 4.23Å
96C98.1Very high94Very high0 Ų084.6 Ų84.60%038%0.376CS..EExtended strand (participates in β ladder)trans-67.8132.3171.3179.10000110.6K98 C99 Y100 A101 L103 C110 T118 L121C96-K98 PolarHBondContact SG-N 2.84Å; C96-C99 PolarHBondContact SG-N 3.48Å; C96-Y100 WeakPolarHBondContact O-CA 3.36Å; C96-Y100 PolarHBondContact O-N 3.39Å; C96-A101 HydrophobicContact CB-CB 4.36Å; C96-A101 PolarHBondContact N-O 3.26Å; C96-L103 HydrophobicContact CB-CD1 4.42Å; C96-C110 HydrophobicContact CB-CB 4.07Å; C96-T118 VanDerWaalsContact SG-CG2 3.53Å; C96-L121 HydrophobicContact CB-CD2 3.99Å
97R97.6Very high94.4Very high132 Ų13283.7 Ų83.750%0.49837%0.368SS..THydrogen-bonded Turntrans-72.6-30.2178.3-63.1-157.9-172-121.71.6113.5N120 R122R97-N120 WeakPolarHBondContact CB-O 3.22Å; R97-N120 WeakPolarHBondContact CD-OD1 3.49Å; R97-N120 PolarHBondContact N-O 3.44Å; R97-N120 PolarHBondContact NE-OD1 2.91Å; R97-R122 HydrophobicContact CG-CB 4.3Å; R97-R122 HydrophobicContact CG-CG 4.13Å
98K97.3Very high94.9Very high135 Ų13585.7 Ų85.759%0.58739%0.385SS*.THydrogen-bonded Turntrans-80.3-40.6-179-64.6-169177.3-177.50113C96 C115 T118C96-K98 PolarHBondContact SG-N 2.84Å; K98-C115 HydrophobicContact CB-CB 3.78Å; K98-C115 HydrophobicContact CD-CB 4.3Å; K98-T118 HydrophobicContact CB-CG2 4.3Å; K98-T118 HydrophobicContact CD-CG2 3.9Å; K98-T118 HydrophobicContact CG-CG2 4.09Å
99C97.5Very high95.4Very high18 Ų1883.8 Ų83.812%0.12238%0.381CS..THydrogen-bonded Turntrans-124.53.7-171.277.80000115.7C96 A101 K114 C115C96-C99 PolarHBondContact SG-N 3.48Å; C99-A101 PolarHBondContact O-N 3.34Å; C99-K114 HydrophobicContact CB-CD 4.26Å; C99-K114 HydrophobicContact CB-CG 4.31Å; C99-C115 HydrophobicContact CB-CB 4.07Å
100Y97.4Very high95.8Very high169 Ų16977.2 Ų77.266%0.66336%0.355SS*.  trans58.613.9177.6-54.5-83.4000115.9C96C96-Y100 WeakPolarHBondContact O-CA 3.36Å; C96-Y100 PolarHBondContact O-N 3.39Å
101A97.4Very high96.2Very high13 Ų1378 Ų7811%0.10736%0.356CS..  trans-60.8138.7176.200000111.5I95 C96 C99 K112I95-A101 VanDerWaalsContact CA-O 3.32Å; I95-A101 WeakPolarHBondContact CA-O 3.49Å; C96-A101 HydrophobicContact CB-CB 4.36Å; C96-A101 PolarHBondContact N-O 3.26Å; C99-A101 PolarHBondContact O-N 3.34Å; A101-K112 HydrophobicContact CB-CG 3.81Å
102R97.1Very high96.7Very high147 Ų14776.4 Ų76.456%0.55535%0.353SS*.EExtended strand (participates in β ladder)trans-80.7130.9172-167.2-174.5-59.5174.45.4109.7K93 I95K93-R102 HydrophobicContact CB-CG 3.84Å; K93-R102 HydrophobicContact CD-CG 4.31Å; K93-R102 HydrophobicContact CG-CG 3.87Å; I95-R102 HydrophobicContact CD1-CB 4.35Å; I95-R102 HydrophobicContact CD1-CG 4.33Å
103L96.1Very high97Very high10 Ų1081.4 Ų81.45%0.05237%0.371CS..EExtended strand (participates in β ladder)trans-129.3160.4-171.9-58.2172.1000110.9K93 M94 C96 A107 C110 H111 L121K93-L103 WeakPolarHBondContact CA-O 3.35Å; K93-L103 WeakPolarHBondContact CB-O 3.4Å; K93-L103 WeakPolarHBondContact CD-O 3.44Å; M94-L103 HydrophobicContact CB-CB 3.98Å; M94-L103 PolarHBondContact N-O 3.18Å; M94-L103 VanDerWaalsContact N-O 3.11Å; M94-L103 PolarHBondContact O-N 3.34Å; C96-L103 HydrophobicContact CB-CD1 4.42Å; L103-A107 HydrophobicContact CB-CB 3.9Å; L103-A107 HydrophobicContact CD1-CB 4.45Å; L103-C110 HydrophobicContact CD1-CB 4.33Å; L103-H111 WeakPolarHBondContact CD2-ND1 3.27Å; L103-L121 HydrophobicContact CD1-CD1 3.76Å; L103-L121 HydrophobicContact CD1-CD2 3.43Å; L103-L121 VanDerWaalsContact CD1-CD2 3.43Å; L103-L121 HydrophobicContact CD1-CG 4.2Å
104H95.4Very high97.1Very high111 Ų11187.5 Ų87.551%0.51440%0.397SS..  trans-56.5143169.5-172.8-97000110.2R106 A107H104-R106 PolarHBondContact ND1-N 3.1Å; H104-R106 VanDerWaalsContact ND1-N 3.15Å; H104-R106 PolarHBondContact O-N 3.39Å; H104-R106 VanDerWaalsContact O-N 3.13Å; H104-A107 HydrophobicContact CB-CB 4.44Å; H104-A107 VanDerWaalsContact O-CB 3.22Å; H104-A107 WeakPolarHBondContact O-CB 3.35Å; H104-A107 PolarHBondContact O-N 2.82Å
105P95.3Very high97.1Very high58 Ų5886 Ų8638%0.37739%0.391SS..THydrogen-bonded Turntrans-59-24.7-178.314.8-27.3000114.5N92 M94N92-P105 VanDerWaalsContact O-CD 3.31Å; N92-P105 WeakPolarHBondContact O-CD 3.02Å; N92-P105 VanDerWaalsContact O-CG 3.27Å; N92-P105 WeakPolarHBondContact O-CG 3.14Å; M94-P105 WeakPolarHBondContact CG-O 3.37Å
106R95.5Very high97.1Very high217 Ų21788.3 Ų88.382%0.81942%0.418SS*.THydrogen-bonded Turntrans-96.110175-58-178.4-179.9151.2-3.3114.3H104 V108H104-R106 PolarHBondContact ND1-N 3.1Å; H104-R106 VanDerWaalsContact ND1-N 3.15Å; H104-R106 PolarHBondContact O-N 3.39Å; H104-R106 VanDerWaalsContact O-N 3.13Å; R106-V108 PolarHBondContact O-N 3.49Å
107A96.8Very high97Very high26 Ų2692.5 Ų92.522%0.21544%0.438CS..  trans-69.7130.4179.300000110.5L103 H104 L121L103-A107 HydrophobicContact CB-CB 3.9Å; L103-A107 HydrophobicContact CD1-CB 4.45Å; H104-A107 HydrophobicContact CB-CB 4.44Å; H104-A107 VanDerWaalsContact O-CB 3.22Å; H104-A107 WeakPolarHBondContact O-CB 3.35Å; H104-A107 PolarHBondContact O-N 2.82Å; A107-L121 HydrophobicContact CB-CD1 4.43Å; A107-L121 WeakPolarHBondContact O-CD1 3.33Å
108V97.3Very high97Very high115 Ų11586.9 Ų86.970%0.69742%0.418SS*.SBendtrans-94.2-27.8173.9-98.50000112.6R106 N119 L121R106-V108 PolarHBondContact O-N 3.49Å; V108-N119 WeakPolarHBondContact O-CA 3.38Å; V108-N119 WeakPolarHBondContact O-CB 3.3Å; V108-L121 WeakPolarHBondContact O-CD1 3.31Å
109N98Very high97Very high88 Ų8886.2 Ų86.247%0.47142%0.421SS..SBendtrans-126.3153178.4-66.780.3000111.5H117N109-H117 PolarHBondContact ND2-O 2.88Å
110C98.1Very high97Very high1 Ų188.7 Ų88.71%0.00743%0.433CS..  trans-75.3136171-169.10000111.1C96 L103 K112 C115 H117 T118 L121C96-C110 HydrophobicContact CB-CB 4.07Å; L103-C110 HydrophobicContact CD1-CB 4.33Å; C110-K112 PolarHBondContact O-N 3.21Å; C110-C115 VanDerWaalsContact CB-SG 3.58Å; C110-C115 PolarHBondContact SG-SG 2.94Å; C110-H117 VanDerWaalsContact O-CA 3.3Å; C110-H117 WeakPolarHBondContact O-CA 3.43Å; C110-H117 PolarHBondContact O-ND1 3.45Å; C110-T118 HydrophobicContact CB-CG2 4.29Å; C110-T118 PolarHBondContact N-O 3.34Å; C110-L121 HydrophobicContact CB-CD2 4.16Å
111H97.4Very high97Very high104 Ų10481.7 Ų81.748%0.48141%0.407SS..SBendtrans-77.1-5.8176.367.9-91.7000113.7L103 H117L103-H111 WeakPolarHBondContact CD2-ND1 3.27Å; H111-H117 PolarHBondContact O-CE1 3Å
112K97.6Very high97Very high90 Ų9083.8 Ų83.839%0.39141%0.412SS..  trans-87.6125.3-176.5-64.6-59.4-171-165.90111.4A101 C110 K114 C115A101-K112 HydrophobicContact CB-CG 3.81Å; C110-K112 PolarHBondContact O-N 3.21Å; K112-K114 VanDerWaalsContact C-N 3.33Å; K112-K114 HydrophobicContact CB-CG 4.13Å; K112-K114 PolarHBondContact O-N 3.01Å; K112-C115 PolarHBondContact O-N 3.39Å; K112-C115 PolarHBondContact O-SG 3.11Å
113K97.3Very high97Very high179 Ų17981.2 Ų81.278%0.77841%0.414SS*.G310 helixtrans-58.9-38.8174.9-69.4-175.3178.4-175.40113.1C115 G116K113-C115 PolarHBondContact O-N 2.79Å; K113-G116 WeakPolarHBondContact O-CA 3.41Å; K113-G116 PolarHBondContact O-N 2.72Å
114K97.3Very high96.9Very high169 Ų16984 Ų8474%0.73543%0.426SS*.G310 helixtrans-58.9-17.2-17961.9167.9169.9169.90116C99 K112C99-K114 HydrophobicContact CB-CD 4.26Å; C99-K114 HydrophobicContact CB-CG 4.31Å; K112-K114 VanDerWaalsContact C-N 3.33Å; K112-K114 HydrophobicContact CB-CG 4.13Å; K112-K114 PolarHBondContact O-N 3.01Å
115C96.6Very high96.8Very high10 Ų1087 Ų877%0.06844%0.438CS..G310 helixtrans-109.115.9173.358.40000113K98 C99 C110 K112 K113 H117 T118K98-C115 HydrophobicContact CB-CB 3.78Å; K98-C115 HydrophobicContact CD-CB 4.3Å; C99-C115 HydrophobicContact CB-CB 4.07Å; C110-C115 VanDerWaalsContact CB-SG 3.58Å; C110-C115 PolarHBondContact SG-SG 2.94Å; K112-C115 PolarHBondContact O-N 3.39Å; K112-C115 PolarHBondContact O-SG 3.11Å; K113-C115 PolarHBondContact O-N 2.79Å; C115-H117 VanDerWaalsContact C-N 3.28Å; C115-H117 PolarHBondContact O-N 3.11Å; C115-T118 HydrophobicContact CB-CG2 3.95Å; C115-T118 WeakPolarHBondContact O-CB 3.47Å; C115-T118 PolarHBondContact O-N 2.98Å
116G97.4Very high96.3Very high63 Ų6392.5 Ų92.565%0.64946%0.456SS*.THydrogen-bonded Turntrans58.937.2-179.100000113K113 T118K113-G116 WeakPolarHBondContact O-CA 3.41Å; K113-G116 PolarHBondContact O-N 2.72Å; G116-T118 PolarHBondContact O-N 2.86Å
117H96.8Very high95.5Very high87 Ų8787.6 Ų87.640%0.40345%0.449SS..THydrogen-bonded Turntrans51.632-177.1-60.7-70.6000115N109 C110 H111 C115N109-H117 PolarHBondContact ND2-O 2.88Å; C110-H117 VanDerWaalsContact O-CA 3.3Å; C110-H117 WeakPolarHBondContact O-CA 3.43Å; C110-H117 PolarHBondContact O-ND1 3.45Å; H111-H117 PolarHBondContact O-CE1 3Å; C115-H117 VanDerWaalsContact C-N 3.28Å; C115-H117 PolarHBondContact O-N 3.11Å
118T97.5Very high94.2Very high15 Ų1599.4 Ų99.49%0.09250%0.496CS..  trans-50.9143.4-176.3-171.50000113.5C96 K98 C110 C115 G116 N120C96-T118 VanDerWaalsContact SG-CG2 3.53Å; K98-T118 HydrophobicContact CB-CG2 4.3Å; K98-T118 HydrophobicContact CD-CG2 3.9Å; K98-T118 HydrophobicContact CG-CG2 4.09Å; C110-T118 HydrophobicContact CB-CG2 4.29Å; C110-T118 PolarHBondContact N-O 3.34Å; C115-T118 HydrophobicContact CB-CG2 3.95Å; C115-T118 WeakPolarHBondContact O-CB 3.47Å; C115-T118 PolarHBondContact O-N 2.98Å; G116-T118 PolarHBondContact O-N 2.86Å; T118-N120 VanDerWaalsContact C-N 3.3Å; T118-N120 WeakPolarHBondContact OG1-CB 3.44Å; T118-N120 PolarHBondContact OG1-N 3.01Å; T118-N120 VanDerWaalsContact OG1-N 3.11Å
119N97.4Very high94Very high120 Ų12098.6 Ų98.664%0.64249%0.486SS*.  trans-84.90168.563-9.2000113.3V108 L121V108-N119 WeakPolarHBondContact O-CA 3.38Å; V108-N119 WeakPolarHBondContact O-CB 3.3Å; N119-L121 VanDerWaalsContact C-N 3.33Å; N119-L121 PolarHBondContact O-N 3.03Å
120N97.8Very high93.8Very high71 Ų7199.2 Ų99.238%0.3849%0.486SS..  trans-76.684.6178.8-167.70.1000110.9R97 T118R97-N120 WeakPolarHBondContact CB-O 3.22Å; R97-N120 WeakPolarHBondContact CD-OD1 3.49Å; R97-N120 PolarHBondContact N-O 3.44Å; R97-N120 PolarHBondContact NE-OD1 2.91Å; T118-N120 VanDerWaalsContact C-N 3.3Å; T118-N120 WeakPolarHBondContact OG1-CB 3.44Å; T118-N120 PolarHBondContact OG1-N 3.01Å; T118-N120 VanDerWaalsContact OG1-N 3.11Å
121L97.9Very high93.6Very high22 Ų22104.6 Ų104.612%0.11551%0.513CS..EExtended strand (participates in β ladder)trans-113.9164.8-175.6-51.8-174.8000111.3M94 I95 C96 L103 A107 V108 C110 N119M94-L121 HydrophobicContact CE-CB 3.86Å; I95-L121 CarbonylContact O-C 3.6Å; I95-L121 WeakPolarHBondContact O-CA 3.47Å; C96-L121 HydrophobicContact CB-CD2 3.99Å; L103-L121 HydrophobicContact CD1-CD1 3.76Å; L103-L121 HydrophobicContact CD1-CD2 3.43Å; L103-L121 VanDerWaalsContact CD1-CD2 3.43Å; L103-L121 HydrophobicContact CD1-CG 4.2Å; A107-L121 HydrophobicContact CB-CD1 4.43Å; A107-L121 WeakPolarHBondContact O-CD1 3.33Å; V108-L121 WeakPolarHBondContact O-CD1 3.31Å; C110-L121 HydrophobicContact CB-CD2 4.16Å; N119-L121 VanDerWaalsContact C-N 3.33Å; N119-L121 PolarHBondContact O-N 3.03Å
122R96.8Very high93.3Very high57 Ų57104.6 Ų104.622%0.21552%0.515CS..EExtended strand (participates in β ladder)trans-146.8154.6172.664.6176.6-178.981.2-4.2111.3M94 I95 R97M94-R122 CarbonylContact C-O 3.59Å; M94-R122 WeakPolarHBondContact CA-O 3.49Å; I95-R122 HydrophobicContact CB-CG 4.13Å; I95-R122 PolarHBondContact N-O 2.88Å; I95-R122 PolarHBondContact O-N 3.47Å; R97-R122 HydrophobicContact CG-CB 4.3Å; R97-R122 HydrophobicContact CG-CG 4.13Å
123P96.2Very high93.1Very high92 Ų92105.6 Ų105.660%0.59752%0.523SS*.EExtended strand (participates in β ladder)trans-62.5147.4168.525.3-32.9000111.3M94 K125M94-P123 HydrophobicContact SD-CB 4.34Å; P123-K125 PolarHBondContact O-N 3.45Å
124K95.1Very high92.8Very high69 Ų69100.7 Ų100.730%0.351%0.506SS..PPolyproline II helixtrans-64132168.5-171.9176.5175.5179.90108.7N90 K93 I95 K126N90-K124 PolarHBondContact O-NZ 3.13Å; K93-K124 WeakPolarHBondContact O-CB 3.19Å; K93-K124 PolarHBondContact O-N 3.15Å; I95-K124 HydrophobicContact CD1-CB 4.17Å; I95-K124 HydrophobicContact CD1-CD 4.43Å; I95-K124 HydrophobicContact CD1-CG 4.25Å; I95-K124 HydrophobicContact CG1-CB 3.85Å; I95-K124 HydrophobicContact CG1-CG 4.23Å; K124-K126 PolarHBondContact O-N 2.95Å
125K93Very high92.5Very high174 Ų17495.8 Ų95.876%0.75749%0.489SS*.PPolyproline II helixtrans-61.1134.4178.6-68.1-175.3177.6-176.20109.3P123P123-K125 PolarHBondContact O-N 3.45Å
126K84.9Confident92.2Very high174 Ų174102.4 Ų102.476%0.75752%0.522SS*.PPolyproline II helixtrans-81.1138.5172.1-63.3-179.3-179.1179.10108.4K124K124-K126 PolarHBondContact O-N 2.95Å
127V77.5Confident91.7Very high113 Ų113105.7 Ų105.769%0.68551%0.511SS*.PPolyproline II helixtrans-74.1130.5165.7-172.70000105.9
128K69.7Low91.3Very high274 Ų274107.4 Ų107.4100%1.19152%0.521SS*.  trans-65.40174.1-71.9-174.2177.7-176.40109.6

Retrieved 128 of 128 residues in 938.6 ms (Link to these results)

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