Q99NM2_MOUSE Loading...

Recombination activating protein 2

AlphaFold DB , UniProt , Accession Q99NM2, Species MOUSE (Mus musculus, Mouse), Gene Rag2, Length 148 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1K89.5Confident95.3Very high171 Ų17193.5 Ų93.574%0.74348%0.481SS*.  0140.70-65.5-176.9167.7-138.80108.5Y3 E21K1-Y3 HydrophobicContact CB-CE2 3.95Å; K1-Y3 VanDerWaalsContact CD-OH 3.29Å; K1-Y3 WeakPolarHBondContact CD-OH 3.37Å; K1-E21 WeakPolarHBondContact CD-OE1 3.42Å; K1-E21 WeakPolarHBondContact CE-OE1 3.46Å; K1-E21 IonicContact NZ-OE1 2.7Å; K1-E21 PolarHBondContact NZ-OE1 2.9Å; K1-E21 IonicContact NZ-OE2 3.22Å; K1-E21 PolarHBondContact NZ-OE2 3.08Å
2I94.5Very high95.2Very high26 Ų2697.6 Ų97.613%0.13350%0.504CS..EExtended strand (participates in β ladder)trans-116.1141.4171.7-75-172.8000108.7K22 L24 I37 I80 F82I2-K22 PolarHBondContact O-N 2.86Å; I2-L24 HydrophobicContact CD1-CD1 3.66Å; I2-L24 HydrophobicContact CD1-CD2 4.21Å; I2-L24 HydrophobicContact CD1-CG 4.34Å; I2-L24 HydrophobicContact CG1-CD1 3.86Å; I2-L24 HydrophobicContact CG1-CG 4.43Å; I2-I37 HydrophobicContact CD1-CD1 4.42Å; I2-I80 HydrophobicContact CD1-CD1 3.86Å; I2-I80 HydrophobicContact CD1-CG2 3.97Å; I2-F82 HydrophobicContact CD1-CE1 4.13Å; I2-F82 HydrophobicContact CG2-CD1 4.39Å; I2-F82 HydrophobicContact CG2-CE1 4.16Å
3Y96.2Very high95Very high122 Ų122106.2 Ų106.248%0.47854%0.535SS..EExtended strand (participates in β ladder)trans-121.2126.6178.8-64.5-79.2000109.1K1 T20 E21K1-Y3 HydrophobicContact CB-CE2 3.95Å; K1-Y3 VanDerWaalsContact CD-OH 3.29Å; K1-Y3 WeakPolarHBondContact CD-OH 3.37Å; Y3-T20 WeakPolarHBondContact CA-O 3.3Å; Y3-E21 HydrophobicContact CD1-CB 3.93Å; Y3-E21 HydrophobicContact CD1-CG 4.24Å; Y3-E21 HydrophobicContact CE1-CB 3.68Å; Y3-E21 HydrophobicContact CE1-CG 3.74Å; Y3-E21 PolarHBondContact OH-OE2 2.88Å
4I95.2Very high95.2Very high67 Ų67109.8 Ų109.834%0.34455%0.546SS..EExtended strand (participates in β ladder)trans-99.6117.7174.8-57.7174.8000107.4T20 K22 F82I4-T20 PolarHBondContact N-O 3.1Å; I4-T20 PolarHBondContact O-N 2.93Å; I4-K22 HydrophobicContact CD1-CB 4.31Å; I4-F82 HydrophobicContact CD1-CB 4.46Å
5M96.9Very high95.4Very high118 Ų118106.5 Ų106.558%0.58153%0.534SS*.EExtended strand (participates in β ladder)trans-99.8122.3176.6-69.4-66.8-6700109.4F17 R18 C19M5-F17 HydrophobicContact CE-CB 3.93Å; M5-F17 HydrophobicContact CE-CG 4.45Å; M5-R18 WeakPolarHBondContact CA-O 3.5Å; M5-C19 HydrophobicContact SD-CB 3.37Å; M5-C19 WeakPolarHBondContact SD-CB 3.39Å
6S96.4Very high95.5Very high47 Ų47103.8 Ų103.833%0.32953%0.525SS..EExtended strand (participates in β ladder)trans-131.3158.617778.40000111.6A8 F17 R18S6-A8 PolarHBondContact O-N 2.77Å; S6-F17 CarbonylContact O-C 3.51Å; S6-F17 VanDerWaalsContact O-CA 3.3Å; S6-F17 WeakPolarHBondContact O-CA 3.35Å; S6-R18 PolarHBondContact N-O 2.89Å; S6-R18 PolarHBondContact O-N 3.49Å
7V97.3Very high95.7Very high90 Ų90104.9 Ų104.955%0.54553%0.526SS..EExtended strand (participates in β ladder)trans-73.6124.5169.41770000108.4V15 F17V7-V15 HydrophobicContact CG1-CG1 3.88Å; V7-V15 HydrophobicContact CG2-CG1 4.19Å; V7-F17 HydrophobicContact CG2-CD1 4.23Å; V7-F17 HydrophobicContact CG2-CE1 3.78Å; V7-F17 HydrophobicContact CG2-CZ 4.43Å
8A96.7Very high95.8Very high43 Ų43107.1 Ų107.136%0.35553%0.527SS..EExtended strand (participates in β ladder)trans-88.8-47.3177.800000111.4S6 T16 R18S6-A8 PolarHBondContact O-N 2.77Å; A8-T16 HydrophobicContact CB-CG2 4.41Å; A8-T16 WeakPolarHBondContact CB-O 3.43Å; A8-T16 PolarHBondContact N-O 3.22Å; A8-R18 HydrophobicContact CB-CB 4.09Å
9C95.1Very high95.9Very high68 Ų68105.4 Ų105.446%0.45953%0.525SS..EExtended strand (participates in β ladder)trans-157.9159.7174.465.10000111.2T16C9-T16 PolarHBondContact N-O 3.19Å; C9-T16 PolarHBondContact O-N 2.85Å
10K95.9Very high95.9Very high159 Ų159103.5 Ų103.569%0.69152%0.52SS*.EExtended strand (participates in β ladder)trans-127.7121.6173.3-178.4177.9179.6-177.20108.4N12 V15K10-N12 WeakPolarHBondContact CE-O 3.24Å; K10-V15 HydrophobicContact CG-CG2 4.27Å
11N94.6Very high95.9Very high118 Ų118102.2 Ų102.263%0.63151%0.512SS*.EExtended strand (participates in β ladder)trans-125.3115.1174-170.5-0.8000108.6K13 K14N11-K13 PolarHBondContact O-N 3.44Å; N11-K14 PolarHBondContact N-O 2.78Å; N11-K14 WeakPolarHBondContact O-CB 3.48Å; N11-K14 PolarHBondContact O-N 2.94Å
12N93.7Very high96.2Very high142 Ų14296.8 Ų96.876%0.75949%0.488SS*.THydrogen-bonded Turntrans51.2-123.2-167.3-61.9-36.9000111.6K10K10-N12 WeakPolarHBondContact CE-O 3.24Å
13K93.8Very high96.2Very high209 Ų209101.6 Ų101.691%0.90951%0.514SS*.THydrogen-bonded Turntrans-90.7-0.5176.2-65.1-175.8179.3179.80113.7N11N11-K13 PolarHBondContact O-N 3.44Å
14K97.4Very high96.3Very high157 Ų15797.1 Ų97.168%0.68350%0.499SS*.EExtended strand (participates in β ladder)trans-92.6124.5178.9-173.3177.5178.8178.50109.9N11N11-K14 PolarHBondContact N-O 2.78Å; N11-K14 WeakPolarHBondContact O-CB 3.48Å; N11-K14 PolarHBondContact O-N 2.94Å
15V97.6Very high96.4Very high60 Ų6098 Ų9836%0.36451%0.507SS..EExtended strand (participates in β ladder)trans-111129.4176.2-176.60000108.6V7 K10 F17V7-V15 HydrophobicContact CG1-CG1 3.88Å; V7-V15 HydrophobicContact CG2-CG1 4.19Å; K10-V15 HydrophobicContact CG-CG2 4.27Å; V15-F17 HydrophobicContact CB-CE2 4.23Å; V15-F17 HydrophobicContact CG1-CD2 4.21Å; V15-F17 HydrophobicContact CG1-CE1 4.47Å; V15-F17 HydrophobicContact CG1-CE2 3.72Å; V15-F17 HydrophobicContact CG1-CZ 3.88Å
16T97.7Very high96.4Very high64 Ų6495.3 Ų95.339%0.39351%0.51SS..EExtended strand (participates in β ladder)trans-104.5129.3171.7-57.30000108.5A8 C9A8-T16 HydrophobicContact CB-CG2 4.41Å; A8-T16 WeakPolarHBondContact CB-O 3.43Å; A8-T16 PolarHBondContact N-O 3.22Å; C9-T16 PolarHBondContact N-O 3.19Å; C9-T16 PolarHBondContact O-N 2.85Å
17F98.1Very high96.4Very high123 Ų12396.7 Ų96.754%0.53951%0.514SS..EExtended strand (participates in β ladder)trans-98.5153.3175.3-69.1-90.1000111.1M5 S6 V7 V15M5-F17 HydrophobicContact CE-CB 3.93Å; M5-F17 HydrophobicContact CE-CG 4.45Å; S6-F17 CarbonylContact O-C 3.51Å; S6-F17 VanDerWaalsContact O-CA 3.3Å; S6-F17 WeakPolarHBondContact O-CA 3.35Å; V7-F17 HydrophobicContact CG2-CD1 4.23Å; V7-F17 HydrophobicContact CG2-CE1 3.78Å; V7-F17 HydrophobicContact CG2-CZ 4.43Å; V15-F17 HydrophobicContact CB-CE2 4.23Å; V15-F17 HydrophobicContact CG1-CD2 4.21Å; V15-F17 HydrophobicContact CG1-CE1 4.47Å; V15-F17 HydrophobicContact CG1-CE2 3.72Å; V15-F17 HydrophobicContact CG1-CZ 3.88Å
18R97.9Very high96.5Very high144 Ų14495.8 Ų95.854%0.54351%0.508SS..EExtended strand (participates in β ladder)trans-113.1129.8167.9-179.8-176.9-63.51440.1108M5 S6 A8M5-R18 WeakPolarHBondContact CA-O 3.5Å; S6-R18 PolarHBondContact N-O 2.89Å; S6-R18 PolarHBondContact O-N 3.49Å; A8-R18 HydrophobicContact CB-CB 4.09Å
19C97.5Very high96.5Very high74 Ų7494.7 Ų94.750%0.550%0.497SS..EExtended strand (participates in β ladder)trans-103.8124.6168.6-173.40000107.9M5M5-C19 HydrophobicContact SD-CB 3.37Å; M5-C19 WeakPolarHBondContact SD-CB 3.39Å
20T96.1Very high96.6Very high68 Ų6895.3 Ų95.342%0.41749%0.493SS..EExtended strand (participates in β ladder)trans-118.8118.5174.7-59.20000108.5Y3 I4Y3-T20 WeakPolarHBondContact CA-O 3.3Å; I4-T20 PolarHBondContact N-O 3.1Å; I4-T20 PolarHBondContact O-N 2.93Å
21E96.6Very high96.7Very high77 Ų7793.4 Ų93.436%0.3650%0.497SS..EExtended strand (participates in β ladder)trans-68.3129168.2-172.1169.8165.500108.7K1 Y3K1-E21 WeakPolarHBondContact CD-OE1 3.42Å; K1-E21 WeakPolarHBondContact CE-OE1 3.46Å; K1-E21 IonicContact NZ-OE1 2.7Å; K1-E21 PolarHBondContact NZ-OE1 2.9Å; K1-E21 IonicContact NZ-OE2 3.22Å; K1-E21 PolarHBondContact NZ-OE2 3.08Å; Y3-E21 HydrophobicContact CD1-CB 3.93Å; Y3-E21 HydrophobicContact CD1-CG 4.24Å; Y3-E21 HydrophobicContact CE1-CB 3.68Å; Y3-E21 HydrophobicContact CE1-CG 3.74Å; Y3-E21 PolarHBondContact OH-OE2 2.88Å
22K95.6Very high96.9Very high56 Ų5689.5 Ų89.524%0.24347%0.474CS..EExtended strand (participates in β ladder)trans-110.2117.9174.2-169.375.3-179.4-163.10108.1I2 I4 F82 E83I2-K22 PolarHBondContact O-N 2.86Å; I4-K22 HydrophobicContact CD1-CB 4.31Å; K22-F82 WeakPolarHBondContact CE-O 3.19Å; K22-F82 PolarHBondContact NZ-O 3.45Å; K22-F82 VanDerWaalsContact NZ-O 3.09Å; K22-E83 PolarHBondContact NZ-O 2.92Å
23D95.1Very high97.1Very high127 Ų12787.7 Ų87.768%0.67946%0.457SS*.  trans-66.9141.6171-67.7-40.6000110
24L96.9Very high97.4Very high29 Ų2979 Ų7915%0.15243%0.426CS..  trans-113140.4176.1-64.8-176.7000110.7I2 V28 I80 G85I2-L24 HydrophobicContact CD1-CD1 3.66Å; I2-L24 HydrophobicContact CD1-CD2 4.21Å; I2-L24 HydrophobicContact CD1-CG 4.34Å; I2-L24 HydrophobicContact CG1-CD1 3.86Å; I2-L24 HydrophobicContact CG1-CG 4.43Å; L24-V28 HydrophobicContact CB-CG1 4.17Å; L24-V28 HydrophobicContact CB-CG2 3.96Å; L24-V28 HydrophobicContact CD1-CG1 4.4Å; L24-V28 WeakPolarHBondContact O-CG2 3.43Å; L24-I80 HydrophobicContact CD2-CG2 3.89Å; L24-G85 CarbonylContact C-O 3.53Å; L24-G85 WeakPolarHBondContact CA-O 3.4Å
25V97.3Very high97.4Very high85 Ų8574.7 Ų74.752%0.51541%0.408SS..EExtended strand (participates in β ladder)trans-127.4164.9174.8-61.10000110.6G85 A87V25-G85 PolarHBondContact N-O 2.82Å; V25-A87 PolarHBondContact O-N 2.87Å
26G97Very high97.5Very high62 Ų6272.3 Ų72.364%0.63939%0.394SS*.EExtended strand (participates in β ladder)trans87.8-137.7-176.200000112V28G26-V28 PolarHBondContact O-N 3.11Å
27D97.7Very high97.5Very high76 Ų7672.9 Ų72.941%0.40640%0.395SS..SBendtrans-80.371.3179.7-62.1-21.4000110.1F78 A87 S89D27-F78 HydrophobicContact CB-CE1 4.45Å; D27-F78 VanDerWaalsContact O-CD1 3.22Å; D27-F78 WeakPolarHBondContact O-CD1 3.41Å; D27-F78 WeakPolarHBondContact O-CE1 3.49Å; D27-A87 PolarHBondContact N-O 2.77Å; D27-A87 WeakPolarHBondContact O-CB 3.41Å; D27-S89 PolarHBondContact OD2-N 2.9Å; D27-S89 PolarHBondContact OD2-OG 2.82Å
28V97.8Very high97.6Very high70 Ų7068.4 Ų68.442%0.42438%0.376SS..PPolyproline II helixtrans-66.2124.7-175.9-177.50000110L24 G26 E30L24-V28 HydrophobicContact CB-CG1 4.17Å; L24-V28 HydrophobicContact CB-CG2 3.96Å; L24-V28 HydrophobicContact CD1-CG1 4.4Å; L24-V28 WeakPolarHBondContact O-CG2 3.43Å; G26-V28 PolarHBondContact O-N 3.11Å; V28-E30 PolarHBondContact O-N 3.28Å
29P97.7Very high97.6Very high21 Ų2164.2 Ų64.214%0.13637%0.367CS..PPolyproline II helixtrans-64.4138.3177.925.5-33.1000110.6L50 F78P29-L50 HydrophobicContact CB-CD2 4.11Å; P29-L50 HydrophobicContact CG-CD1 4.27Å; P29-L50 HydrophobicContact CG-CD2 4.43Å; P29-F78 HydrophobicContact CB-CD1 3.97Å; P29-F78 HydrophobicContact CB-CD2 4.1Å; P29-F78 HydrophobicContact CB-CE1 3.88Å; P29-F78 HydrophobicContact CB-CE2 4.02Å; P29-F78 HydrophobicContact CB-CG 4.08Å; P29-F78 HydrophobicContact CB-CZ 3.91Å; P29-F78 HydrophobicContact CG-CD1 4.33Å; P29-F78 HydrophobicContact CG-CG 4.46Å
30E97.3Very high97.6Very high80 Ų8060.7 Ų60.737%0.37434%0.343SS..PPolyproline II helixtrans-60157.117675.2-174.5142.500112V28 R32 S55 C73V28-E30 PolarHBondContact O-N 3.28Å; E30-R32 WeakPolarHBondContact O-CG 3.45Å; E30-R32 PolarHBondContact O-N 2.78Å; E30-R32 PolarHBondContact O-NE 2.85Å; E30-R32 IonicContact OE1-NH2 3.28Å; E30-S55 PolarHBondContact OE2-OG 3.05Å; E30-C73 WeakPolarHBondContact OE1-CB 3.45Å; E30-C73 PolarHBondContact OE1-SG 3.25Å
31P97.9Very high97.7Very high120 Ų12064.5 Ų64.578%0.77935%0.35SS*.SBendtrans-56.9121.6174.6-23.434.3000111.8S55P31-S55 VanDerWaalsContact O-CB 3.28Å; P31-S55 WeakPolarHBondContact O-CB 2.98Å
32R98.4Very high97.8Very high35 Ų3561.2 Ų61.213%0.13234%0.336CS..  trans-149159.8-174.961.7178.774-164.4-2.8112.9E30 H35 G52 R54 C73E30-R32 WeakPolarHBondContact O-CG 3.45Å; E30-R32 PolarHBondContact O-N 2.78Å; E30-R32 PolarHBondContact O-NE 2.85Å; E30-R32 IonicContact OE1-NH2 3.28Å; R32-H35 HydrophobicContact CG-CB 4.41Å; R32-H35 PolarHBondContact O-CE1 2.8Å; R32-H35 PolarHBondContact O-ND1 2.91Å; R32-G52 WeakPolarHBondContact CD-O 3.3Å; R32-G52 PolarHBondContact NH1-O 2.94Å; R32-R54 CarbonylContact C-O 3.57Å; R32-R54 WeakPolarHBondContact CA-O 3.42Å; R32-R54 WeakPolarHBondContact CB-O 3.37Å; R32-C73 VanDerWaalsContact CZ-CB 3.46Å; R32-C73 VanDerWaalsContact CZ-SG 3.59Å; R32-C73 VanDerWaalsContact NH1-CB 3.34Å
33Y98.8Very high97.7Very high105 Ų10567.2 Ų67.241%0.41236%0.357SS..BIsolated β-bridgetrans-134.8163.3176.573-80000111H35 G53 R54 V70 F101Y33-H35 PolarHBondContact O-N 3.42Å; Y33-G53 CarbonylContact O-C 3.6Å; Y33-G53 WeakPolarHBondContact O-CA 3.42Å; Y33-R54 HydrophobicContact CD1-CB 4.18Å; Y33-R54 WeakPolarHBondContact CD1-O 3.36Å; Y33-R54 HydrophobicContact CE1-CB 3.65Å; Y33-R54 PolarHBondContact N-O 2.86Å; Y33-R54 PolarHBondContact O-N 3.39Å; Y33-V70 HydrophobicContact CE1-CG1 4.16Å; Y33-F101 HydrophobicContact CD2-CZ 4.36Å; Y33-F101 AromaticContact CE2-CZ 3.92Å; Y33-F101 HydrophobicContact CE2-CZ 3.92Å
34G98.6Very high97.6Very high25 Ų2565.2 Ų65.226%0.25837%0.367SS..SBendtrans63.722.4-177.100000113.9F101G34-F101 PolarHBondContact O-N 2.92Å
35H98.8Very high97.5Very high67 Ų6768.2 Ų68.231%0.3138%0.378SS..  trans-92.4171.4170.163-82.2000110R32 Y33 F51 G52R32-H35 HydrophobicContact CG-CB 4.41Å; R32-H35 PolarHBondContact O-CE1 2.8Å; R32-H35 PolarHBondContact O-ND1 2.91Å; Y33-H35 PolarHBondContact O-N 3.42Å; H35-F51 WeakPolarHBondContact CB-O 3.48Å; H35-G52 VanDerWaalsContact CB-O 3.23Å; H35-G52 WeakPolarHBondContact CB-O 3.37Å
36S98.8Very high97.4Very high10 Ų1067.2 Ų67.27%0.0738%0.376CS..EExtended strand (participates in β ladder)trans-111.3154.3169.568.40000112L50 F51 H102 S104S36-L50 WeakPolarHBondContact O-CA 3.32Å; S36-F51 PolarHBondContact N-O 3.28Å; S36-F51 VanDerWaalsContact N-O 3.08Å; S36-F51 PolarHBondContact O-N 2.96Å; S36-F51 VanDerWaalsContact O-N 3.11Å; S36-H102 WeakPolarHBondContact CB-NE2 3.3Å; S36-H102 PolarHBondContact OG-NE2 2.95Å; S36-S104 WeakPolarHBondContact CB-OG 3.5Å
37I98.6Very high97.5Very high77 Ų7765.3 Ų65.340%0.39535%0.35SS..EExtended strand (participates in β ladder)trans-139.1128.7168.2-168.7170.4000109I2 V49 L50 I80 F82I2-I37 HydrophobicContact CD1-CD1 4.42Å; I37-V49 VanDerWaalsContact CA-O 3.32Å; I37-V49 WeakPolarHBondContact CA-O 3.42Å; I37-L50 HydrophobicContact CD1-CB 4.48Å; I37-L50 HydrophobicContact CD1-CD1 4.42Å; I37-L50 HydrophobicContact CG1-CB 4.26Å; I37-I80 HydrophobicContact CD1-CD1 4.24Å; I37-F82 HydrophobicContact CD1-CE1 4.41Å; I37-F82 HydrophobicContact CD1-CZ 4.05Å
38D98.8Very high97.5Very high28 Ų2861.7 Ų61.715%0.1533%0.331CS..EExtended strand (participates in β ladder)trans-132163.4179-65.1-94.6000111.1G48 V49 S104 A106 V111D38-G48 CarbonylContact O-C 3.52Å; D38-G48 WeakPolarHBondContact O-CA 3.44Å; D38-V49 PolarHBondContact N-O 2.95Å; D38-V49 PolarHBondContact O-N 3.44Å; D38-S104 PolarHBondContact OD1-OG 2.96Å; D38-S104 WeakPolarHBondContact OD2-CB 3.45Å; D38-S104 PolarHBondContact OD2-OG 2.8Å; D38-A106 HydrophobicContact CB-CB 3.68Å; D38-V111 HydrophobicContact CB-CG1 4.3Å; D38-V111 HydrophobicContact CB-CG2 4.21Å
39V98.4Very high97.5Very high57 Ų5758.5 Ų58.535%0.34531%0.311SS..EExtended strand (participates in β ladder)trans-109.1127.6174.8-176.30000109.4Y41 M47 F82 A106V39-Y41 HydrophobicContact CB-CE2 4.46Å; V39-Y41 HydrophobicContact CG1-CE1 4.34Å; V39-Y41 HydrophobicContact CG1-CE2 3.88Å; V39-M47 WeakPolarHBondContact CA-O 3.48Å; V39-F82 HydrophobicContact CG2-CE2 4.21Å; V39-A106 WeakPolarHBondContact O-CB 3.22Å
40V98.5Very high97.6Very high0 Ų057.9 Ų57.90%031%0.307CS..EExtended strand (participates in β ladder)trans-106.7152170.9-64.10000110.9S46 M47 V49 N108 V111 V133V40-S46 CarbonylContact O-C 3.54Å; V40-S46 VanDerWaalsContact O-CA 3.3Å; V40-S46 WeakPolarHBondContact O-CA 3.49Å; V40-M47 HydrophobicContact CG2-CB 4Å; V40-M47 WeakPolarHBondContact CG2-O 3.47Å; V40-M47 PolarHBondContact N-O 2.82Å; V40-M47 PolarHBondContact O-N 2.9Å; V40-V49 HydrophobicContact CB-CG2 4.44Å; V40-V49 HydrophobicContact CG1-CG2 3.84Å; V40-V49 HydrophobicContact CG2-CG2 3.75Å; V40-N108 CarbonylContact C-O 3.5Å; V40-N108 VanDerWaalsContact CA-O 3.24Å; V40-N108 WeakPolarHBondContact CA-O 3.17Å; V40-N108 WeakPolarHBondContact CB-O 3.35Å; V40-V111 HydrophobicContact CG1-CG2 3.38Å; V40-V133 HydrophobicContact CG2-CB 3.98Å; V40-V133 HydrophobicContact CG2-CG1 4.18Å; V40-V133 HydrophobicContact CG2-CG2 4.27Å
41Y97.9Very high97.6Very high147 Ų14754.1 Ų54.158%0.57629%0.289SS*.EExtended strand (participates in β ladder)trans-124.3118177.6-60.9-88.8000109.5V39 K45 N108 D109V39-Y41 HydrophobicContact CB-CE2 4.46Å; V39-Y41 HydrophobicContact CG1-CE1 4.34Å; V39-Y41 HydrophobicContact CG1-CE2 3.88Å; Y41-K45 CarbonylContact C-O 3.58Å; Y41-K45 VanDerWaalsContact CA-O 3.3Å; Y41-K45 WeakPolarHBondContact CA-O 3.23Å; Y41-N108 PolarHBondContact N-O 3.36Å; Y41-N108 CarbonylContact O-C 3.2Å; Y41-D109 WeakPolarHBondContact O-CA 3.31Å; Y41-D109 PolarHBondContact O-N 2.87Å
42S97.3Very high97.7Very high8 Ų848.4 Ų48.46%0.05625%0.252CS..EExtended strand (participates in β ladder)trans-137.4128.2179-175.50000110.1G44 K45 V133 D134 L135S42-G44 PolarHBondContact O-N 2.97Å; S42-G44 VanDerWaalsContact O-N 3.1Å; S42-K45 PolarHBondContact N-O 2.8Å; S42-K45 PolarHBondContact O-N 2.81Å; S42-V133 WeakPolarHBondContact CB-O 3.34Å; S42-D134 PolarHBondContact OG-OD1 2.86Å; S42-L135 PolarHBondContact OG-N 3.46Å
43R94.7Very high97.7Very high182 Ų18246.8 Ų46.869%0.68725%0.246SC*.THydrogen-bonded Turntrans49.937.6179-55178.2-173.5-100.13.1114.1K45 D134R43-K45 VanDerWaalsContact C-N 3.29Å; R43-K45 PolarHBondContact O-N 2.8Å; R43-D134 IonicContact CZ-OD1 3.62Å; R43-D134 IonicContact CZ-OD2 3.63Å; R43-D134 IonicContact NE-OD1 3.57Å; R43-D134 PolarHBondContact NE-OD1 3.05Å; R43-D134 IonicContact NE-OD2 2.78Å; R43-D134 PolarHBondContact NE-OD2 2.92Å; R43-D134 IonicContact NH2-OD1 3.58Å; R43-D134 IonicContact NH2-OD2 2.88Å; R43-D134 PolarHBondContact NH2-OD2 2.91Å
44G92.4Very high97.7Very high86 Ų8643.1 Ų43.189%0.88723%0.232SC*.THydrogen-bonded Turntrans80.51.1-179.900000115.4S42S42-G44 PolarHBondContact O-N 2.97Å; S42-G44 VanDerWaalsContact O-N 3.1Å
45K95Very high97.7Very high91 Ų9142.4 Ų42.440%0.39622%0.223SC..EExtended strand (participates in β ladder)trans-102.1149174.6-59.7178.9-176.9175.50110.6Y41 S42 R43 L135 P136Y41-K45 CarbonylContact C-O 3.58Å; Y41-K45 VanDerWaalsContact CA-O 3.3Å; Y41-K45 WeakPolarHBondContact CA-O 3.23Å; S42-K45 PolarHBondContact N-O 2.8Å; S42-K45 PolarHBondContact O-N 2.81Å; R43-K45 VanDerWaalsContact C-N 3.29Å; R43-K45 PolarHBondContact O-N 2.8Å; K45-L135 HydrophobicContact CB-CB 4.35Å; K45-L135 HydrophobicContact CB-CD1 3.76Å; K45-L135 HydrophobicContact CD-CB 4.14Å; K45-P136 PolarHBondContact NZ-O 3.46Å
46S95.9Very high97.7Very high65 Ų6544.9 Ų44.946%0.45523%0.23SC..EExtended strand (participates in β ladder)trans-109.8142.3173.559.40000111.3V40V40-S46 CarbonylContact O-C 3.54Å; V40-S46 VanDerWaalsContact O-CA 3.3Å; V40-S46 WeakPolarHBondContact O-CA 3.49Å
47M97.5Very high97.6Very high21 Ų2146.9 Ų46.910%0.10324%0.239CC..EExtended strand (participates in β ladder)trans-141.8139.6177.7-171.263.563.900110.1V39 V40 L79 D81 L135V39-M47 WeakPolarHBondContact CA-O 3.48Å; V40-M47 HydrophobicContact CG2-CB 4Å; V40-M47 WeakPolarHBondContact CG2-O 3.47Å; V40-M47 PolarHBondContact N-O 2.82Å; V40-M47 PolarHBondContact O-N 2.9Å; M47-L79 HydrophobicContact CG-CB 3.92Å; M47-L79 HydrophobicContact CG-CD1 4.39Å; M47-L79 HydrophobicContact CG-CD2 4.12Å; M47-L79 HydrophobicContact CG-CG 4.37Å; M47-L79 HydrophobicContact SD-CB 4.07Å; M47-D81 HydrophobicContact CE-CB 4.12Å; M47-D81 HydrophobicContact SD-CB 4.02Å; M47-D81 PolarHBondContact SD-N 3.02Å; M47-D81 VanDerWaalsContact SD-N 3.39Å; M47-L135 HydrophobicContact CB-CD1 3.86Å; M47-L135 HydrophobicContact CB-CD2 4.39Å; M47-L135 HydrophobicContact CE-CD2 4.11Å
48G98.2Very high97.4Very high0 Ų046.4 Ų46.40%024%0.241CC..EExtended strand (participates in β ladder)trans-77.7138.2169.100000110.8D38 L79 I80D38-G48 CarbonylContact O-C 3.52Å; D38-G48 WeakPolarHBondContact O-CA 3.44Å; G48-L79 CarbonylContact O-C 3.55Å; G48-L79 WeakPolarHBondContact O-CA 3.1Å; G48-I80 WeakPolarHBondContact CA-O 3.45Å; G48-I80 PolarHBondContact N-O 2.93Å; G48-I80 PolarHBondContact O-N 2.92Å
49V98.8Very high97.1Very high3 Ų350.4 Ų50.42%0.01827%0.271CS..EExtended strand (participates in β ladder)trans-118.7113.5173.8-1770000107.7I37 D38 V40 V77 F78 L79 V111 V133I37-V49 VanDerWaalsContact CA-O 3.32Å; I37-V49 WeakPolarHBondContact CA-O 3.42Å; D38-V49 PolarHBondContact N-O 2.95Å; D38-V49 PolarHBondContact O-N 3.44Å; V40-V49 HydrophobicContact CB-CG2 4.44Å; V40-V49 HydrophobicContact CG1-CG2 3.84Å; V40-V49 HydrophobicContact CG2-CG2 3.75Å; V49-V77 HydrophobicContact CG1-CG1 3.73Å; V49-F78 WeakPolarHBondContact CA-O 3.49Å; V49-L79 HydrophobicContact CG2-CD2 3.96Å; V49-V111 HydrophobicContact CB-CG2 4.05Å; V49-V111 HydrophobicContact CG1-CG2 4.19Å; V49-V111 HydrophobicContact CG2-CG2 4.07Å; V49-V133 HydrophobicContact CG2-CG2 3.99Å
50L98.8Very high96.9Very high8 Ų853.7 Ų53.74%0.04229%0.291CS..EExtended strand (participates in β ladder)trans-110.7132177.5176.6155.1000110.1P29 S36 I37 F78 I80P29-L50 HydrophobicContact CB-CD2 4.11Å; P29-L50 HydrophobicContact CG-CD1 4.27Å; P29-L50 HydrophobicContact CG-CD2 4.43Å; S36-L50 WeakPolarHBondContact O-CA 3.32Å; I37-L50 HydrophobicContact CD1-CB 4.48Å; I37-L50 HydrophobicContact CD1-CD1 4.42Å; I37-L50 HydrophobicContact CG1-CB 4.26Å; L50-F78 HydrophobicContact CB-CB 4.21Å; L50-F78 HydrophobicContact CD2-CB 4.31Å; L50-F78 HydrophobicContact CD2-CD2 3.78Å; L50-F78 HydrophobicContact CD2-CG 4.3Å; L50-F78 PolarHBondContact N-O 2.97Å; L50-F78 PolarHBondContact O-N 3.39Å; L50-I80 HydrophobicContact CB-CD1 3.75Å; L50-I80 HydrophobicContact CD1-CD1 4.05Å
51F98.8Very high96.7Very high2 Ų259.9 Ų59.91%0.00932%0.32CS..EExtended strand (participates in β ladder)trans-146.7144.4-178.7177.4-109.5000113.4H35 S36 P75 V77 L95 L99 H102 I113H35-F51 WeakPolarHBondContact CB-O 3.48Å; S36-F51 PolarHBondContact N-O 3.28Å; S36-F51 VanDerWaalsContact N-O 3.08Å; S36-F51 PolarHBondContact O-N 2.96Å; S36-F51 VanDerWaalsContact O-N 3.11Å; F51-P75 HydrophobicContact CE2-CB 4.16Å; F51-V77 HydrophobicContact CD2-CG2 3.84Å; F51-V77 HydrophobicContact CE2-CG2 4.48Å; F51-V77 HydrophobicContact CG-CG2 4.48Å; F51-L95 HydrophobicContact CD2-CD1 4.26Å; F51-L95 HydrophobicContact CE2-CD1 3.68Å; F51-L95 HydrophobicContact CE2-CG 4.48Å; F51-L95 HydrophobicContact CZ-CD1 3.99Å; F51-L95 HydrophobicContact CZ-CD2 4.01Å; F51-L95 HydrophobicContact CZ-CG 4.44Å; F51-L99 HydrophobicContact CE1-CB 4.18Å; F51-L99 HydrophobicContact CE1-CD2 4.14Å; F51-L99 HydrophobicContact CZ-CB 4.36Å; F51-H102 AromaticContact CD1-CE1 3.85Å; F51-H102 AromaticContact CD1-NE2 3.85Å; F51-H102 PolarHBondContact O-CE1 2.83Å; F51-I113 HydrophobicContact CD1-CD1 4.21Å; F51-I113 HydrophobicContact CD1-CG1 4.16Å; F51-I113 HydrophobicContact CD1-CG2 4.3Å; F51-I113 HydrophobicContact CE1-CG2 4.19Å
52G98.6Very high96.7Very high0 Ų055.8 Ų55.80%030%0.304CS..  trans74.1-155.3171.600000114.5R32 H35 L99R32-G52 WeakPolarHBondContact CD-O 3.3Å; R32-G52 PolarHBondContact NH1-O 2.94Å; H35-G52 VanDerWaalsContact CB-O 3.23Å; H35-G52 WeakPolarHBondContact CB-O 3.37Å; G52-L99 CarbonylContact C-O 3.51Å; G52-L99 WeakPolarHBondContact CA-O 3.34Å
53G98.8Very high96.7Very high0 Ų058.5 Ų58.50%032%0.32CS..  trans96.6179.6-178.900000114.8Y33 D72 C73 L99Y33-G53 CarbonylContact O-C 3.6Å; Y33-G53 WeakPolarHBondContact O-CA 3.42Å; G53-D72 WeakPolarHBondContact O-CA 3.32Å; G53-C73 PolarHBondContact O-N 3.16Å; G53-L99 PolarHBondContact N-O 2.82Å
54R98.8Very high96.9Very high29 Ų2955.8 Ų55.811%0.10932%0.324CS..EExtended strand (participates in β ladder)trans-120.2147.7179.1-72.3179.6-175.8170.112.2111.8R32 Y33 A71 D72 S100 H117R32-R54 CarbonylContact C-O 3.57Å; R32-R54 WeakPolarHBondContact CA-O 3.42Å; R32-R54 WeakPolarHBondContact CB-O 3.37Å; Y33-R54 HydrophobicContact CD1-CB 4.18Å; Y33-R54 WeakPolarHBondContact CD1-O 3.36Å; Y33-R54 HydrophobicContact CE1-CB 3.65Å; Y33-R54 PolarHBondContact N-O 2.86Å; Y33-R54 PolarHBondContact O-N 3.39Å; R54-A71 VanDerWaalsContact CA-O 3.22Å; R54-A71 WeakPolarHBondContact CA-O 3.29Å; R54-A71 WeakPolarHBondContact CB-O 3.47Å; R54-D72 WeakPolarHBondContact CG-OD1 3.22Å; R54-D72 IonicContact CZ-OD1 3.9Å; R54-D72 IonicContact NE-OD1 2.97Å; R54-D72 PolarHBondContact NE-OD1 3.44Å; R54-D72 IonicContact NH2-OD1 3.95Å; R54-S100 PolarHBondContact NE-OG 2.88Å; R54-S100 PolarHBondContact NH2-OG 3.05Å; R54-H117 PolarHBondContact NH2-ND1 2.98Å
55S98.5Very high97.1Very high10 Ų1060.2 Ų60.27%0.0732%0.322CS..EExtended strand (participates in β ladder)trans-128.9166.2170.1620000110E30 P31 V70 A71E30-S55 PolarHBondContact OE2-OG 3.05Å; P31-S55 VanDerWaalsContact O-CB 3.28Å; P31-S55 WeakPolarHBondContact O-CB 2.98Å; S55-V70 CarbonylContact O-C 3.54Å; S55-V70 WeakPolarHBondContact O-CA 3.4Å; S55-V70 VanDerWaalsContact O-CB 3.31Å; S55-V70 WeakPolarHBondContact O-CB 3.16Å; S55-A71 PolarHBondContact N-O 2.93Å; S55-A71 PolarHBondContact O-N 2.83Å
56Y98.3Very high97.2Very high118 Ų11861.9 Ų61.946%0.46333%0.329SS..EExtended strand (participates in β ladder)trans-66.8158.2164.8-67.1-62.4000110R62 V70Y56-R62 VanDerWaalsContact CD2-NH2 3.35Å; Y56-R62 VanDerWaalsContact CG-CZ 3.44Å; Y56-V70 HydrophobicContact CD1-CG1 3.85Å; Y56-V70 HydrophobicContact CE1-CG1 4.07Å
57M96.4Very high97.3Very high53 Ų5365.1 Ų65.126%0.26133%0.331SS..PPolyproline II helixtrans-52.7145.3174.3-63.6-62.5175.600111.6R62 V70 A71M57-R62 HydrophobicContact CB-CB 4.2Å; M57-V70 WeakPolarHBondContact CE-O 3.3Å; M57-A71 HydrophobicContact CE-CB 4Å; M57-A71 HydrophobicContact SD-CB 3.92Å
58P94.8Very high97.3Very high67 Ų6770.1 Ų70.144%0.43536%0.358SS..PPolyproline II helixtrans-51.8148.3174.6-25.633.7000111.5T60 Q61 R62P58-T60 PolarHBondContact O-N 3.48Å; P58-Q61 CarbonylContact O-C 3.57Å; P58-Q61 PolarHBondContact O-N 2.83Å; P58-R62 WeakPolarHBondContact O-CB 3.42Å; P58-R62 PolarHBondContact O-N 2.84Å
59S93.2Very high97.3Very high112 Ų11272.3 Ų72.378%0.78337%0.374SS*.THydrogen-bonded Turntrans-55-31.2-176.952.70000113.6Q61S59-Q61 VanDerWaalsContact C-N 3.27Å; S59-Q61 PolarHBondContact O-N 2.83Å
60T94.8Very high97.3Very high125 Ų12573.6 Ų73.677%0.76738%0.382SS*.THydrogen-bonded Turntrans-70.1-19.817753.70000113.9P58P58-T60 PolarHBondContact O-N 3.48Å
61Q94.5Very high97.2Very high130 Ų13074.7 Ų74.761%0.60739%0.392SS*.THydrogen-bonded Turntrans-117-10.1-177.3-62.6179.46.100113P58 S59 T63P58-Q61 CarbonylContact O-C 3.57Å; P58-Q61 PolarHBondContact O-N 2.83Å; S59-Q61 VanDerWaalsContact C-N 3.27Å; S59-Q61 PolarHBondContact O-N 2.83Å; Q61-T63 PolarHBondContact O-N 3.1Å
62R96.5Very high97.2Very high61 Ų6175.9 Ų75.923%0.2340%0.398CS..  trans-82.6115.3-177.4-165.6177.8-170.4179.22.1110.9Y56 M57 P58 W67Y56-R62 VanDerWaalsContact CD2-NH2 3.35Å; Y56-R62 VanDerWaalsContact CG-CZ 3.44Å; M57-R62 HydrophobicContact CB-CB 4.2Å; P58-R62 WeakPolarHBondContact O-CB 3.42Å; P58-R62 PolarHBondContact O-N 2.84Å; R62-W67 HydrophobicContact CG-CE3 4.04Å; R62-W67 HydrophobicContact CG-CZ3 4.32Å; R62-W67 VanDerWaalsContact CZ-O 3.24Å; R62-W67 PolarHBondContact NE-O 2.85Å; R62-W67 PolarHBondContact NH2-O 2.54Å
63T97.6Very high97.2Very high66 Ų6676 Ų7641%0.40540%0.399SS..  trans-104.9167.1174.266.70000111.1Q61 E65 K66 W67Q61-T63 PolarHBondContact O-N 3.1Å; T63-E65 VanDerWaalsContact C-N 3.27Å; T63-E65 PolarHBondContact O-N 2.71Å; T63-K66 CarbonylContact O-C 3.38Å; T63-K66 PolarHBondContact O-N 2.96Å; T63-K66 PolarHBondContact OG1-N 2.77Å; T63-W67 VanDerWaalsContact O-CA 3.28Å; T63-W67 WeakPolarHBondContact O-CA 3.23Å; T63-W67 PolarHBondContact O-N 3.49Å
64T97.9Very high97.2Very high124 Ų12481.4 Ų81.476%0.76143%0.427SS*.SBendtrans-61.7-35.5173.448.20000112.1W67T64-W67 WeakPolarHBondContact O-CB 3.44Å; T64-W67 PolarHBondContact O-N 3.35Å
65E98.3Very high97.1Very high180 Ų18081 Ų8184%0.84143%0.428SS*.THydrogen-bonded Turntrans-68.4-35.4177.5-63.5175.9176.300112.8T63T63-E65 VanDerWaalsContact C-N 3.27Å; T63-E65 PolarHBondContact O-N 2.71Å
66K96.5Very high97.1Very high125 Ų12582.5 Ų82.554%0.54343%0.434SS..THydrogen-bonded Turntrans-105.626.6178.4-65.8-172.9179.6179.50112.2T63 N68 S69T63-K66 CarbonylContact O-C 3.38Å; T63-K66 PolarHBondContact O-N 2.96Å; T63-K66 PolarHBondContact OG1-N 2.77Å; K66-N68 PolarHBondContact O-N 2.97Å; K66-S69 WeakPolarHBondContact O-CB 3.43Å; K66-S69 PolarHBondContact O-N 3.4Å; K66-S69 PolarHBondContact O-OG 3.05Å
67W97.5Very high97.1Very high134 Ų13476.9 Ų76.951%0.50841%0.412SS..THydrogen-bonded Turntrans-58.7-38.4-170-172-103.1000112.7R62 T63 T64R62-W67 HydrophobicContact CG-CE3 4.04Å; R62-W67 HydrophobicContact CG-CZ3 4.32Å; R62-W67 VanDerWaalsContact CZ-O 3.24Å; R62-W67 PolarHBondContact NE-O 2.85Å; R62-W67 PolarHBondContact NH2-O 2.54Å; T63-W67 VanDerWaalsContact O-CA 3.28Å; T63-W67 WeakPolarHBondContact O-CA 3.23Å; T63-W67 PolarHBondContact O-N 3.49Å; T64-W67 WeakPolarHBondContact O-CB 3.44Å; T64-W67 PolarHBondContact O-N 3.35Å
68N97.8Very high97.3Very high125 Ų12574.9 Ų74.967%0.66840%0.402SS*.THydrogen-bonded Turntrans-95.84.5-178.8-61.5-35.1000113.2K66K66-N68 PolarHBondContact O-N 2.97Å
69S97.8Very high97.4Very high47 Ų4771.9 Ų71.933%0.32938%0.382SS..  trans-71.7140.9176.1-600000110.6K66K66-S69 WeakPolarHBondContact O-CB 3.43Å; K66-S69 PolarHBondContact O-N 3.4Å; K66-S69 PolarHBondContact O-OG 3.05Å
70V98.4Very high97.7Very high30 Ų3066.6 Ų66.618%0.18235%0.345CS..EExtended strand (participates in β ladder)trans-123.5155.7-177.2-64.50000110.6Y33 S55 Y56 M57 L119Y33-V70 HydrophobicContact CE1-CG1 4.16Å; S55-V70 CarbonylContact O-C 3.54Å; S55-V70 WeakPolarHBondContact O-CA 3.4Å; S55-V70 VanDerWaalsContact O-CB 3.31Å; S55-V70 WeakPolarHBondContact O-CB 3.16Å; Y56-V70 HydrophobicContact CD1-CG1 3.85Å; Y56-V70 HydrophobicContact CE1-CG1 4.07Å; M57-V70 WeakPolarHBondContact CE-O 3.3Å; V70-L119 HydrophobicContact CG2-CD2 4.16Å; V70-L119 WeakPolarHBondContact O-CD2 3.22Å
71A98.2Very high97.7Very high31 Ų3162.3 Ų62.326%0.25632%0.318SS..EExtended strand (participates in β ladder)trans-125.9156.3169.600000108.8R54 S55 M57R54-A71 VanDerWaalsContact CA-O 3.22Å; R54-A71 WeakPolarHBondContact CA-O 3.29Å; R54-A71 WeakPolarHBondContact CB-O 3.47Å; S55-A71 PolarHBondContact N-O 2.93Å; S55-A71 PolarHBondContact O-N 2.83Å; M57-A71 HydrophobicContact CE-CB 4Å; M57-A71 HydrophobicContact SD-CB 3.92Å
72D98.5Very high97.6Very high27 Ų2758.6 Ų58.614%0.14430%0.3CS..EExtended strand (participates in β ladder)trans-67.8140.8163.7-67.5-33.8000108.9G53 R54 S100 S118 L119G53-D72 WeakPolarHBondContact O-CA 3.32Å; R54-D72 WeakPolarHBondContact CG-OD1 3.22Å; R54-D72 IonicContact CZ-OD1 3.9Å; R54-D72 IonicContact NE-OD1 2.97Å; R54-D72 PolarHBondContact NE-OD1 3.44Å; R54-D72 IonicContact NH2-OD1 3.95Å; D72-S100 WeakPolarHBondContact OD1-CB 3.44Å; D72-S100 PolarHBondContact OD1-OG 2.83Å; D72-S118 WeakPolarHBondContact OD2-CA 3.13Å; D72-L119 VanDerWaalsContact OD2-CB 3.27Å; D72-L119 WeakPolarHBondContact OD2-CB 3.07Å; D72-L119 PolarHBondContact OD2-N 2.83Å
73C98.3Very high97.3Very high3 Ų362.7 Ų62.72%0.0232%0.321CS..PPolyproline II helixtrans-65.3160.4174.2-64.80000110.7E30 R32 G53E30-C73 WeakPolarHBondContact OE1-CB 3.45Å; E30-C73 PolarHBondContact OE1-SG 3.25Å; R32-C73 VanDerWaalsContact CZ-CB 3.46Å; R32-C73 VanDerWaalsContact CZ-SG 3.59Å; R32-C73 VanDerWaalsContact NH1-CB 3.34Å; G53-C73 PolarHBondContact O-N 3.16Å
74L98.1Very high97.1Very high113 Ų11366.1 Ų66.159%0.59233%0.331SS*.PPolyproline II helixtrans-54.3140.3171.4-66.8176.5000110.7H76L74-H76 PolarHBondContact O-N 2.82Å
75P97.8Very high96.9Very high20 Ų2060.2 Ų60.213%0.1330%0.295CS..  trans-77.244-174.433.8-37.5000112.9F51 L95 D97F51-P75 HydrophobicContact CE2-CB 4.16Å; P75-L95 HydrophobicContact CB-CB 4.18Å; P75-L95 VanDerWaalsContact CG-O 3.23Å; P75-L95 WeakPolarHBondContact CG-O 3.45Å; P75-D97 WeakPolarHBondContact CB-O 3.43Å
76H98.5Very high96.7Very high41 Ų4154.3 Ų54.319%0.1927%0.273CS..PPolyproline II helixtrans-81.4141.4173.9-60.3178.5000110.1L74 F78 Y90L74-H76 PolarHBondContact O-N 2.82Å; H76-F78 HydrophobicContact CB-CD2 4.46Å; H76-F78 HydrophobicContact CB-CE2 3.84Å; H76-F78 HydrophobicContact CB-CZ 4.22Å; H76-Y90 WeakPolarHBondContact CA-O 3.22Å
77V98.7Very high96.7Very high0 Ų048.5 Ų48.50%025%0.248CC..EExtended strand (participates in β ladder)trans-93.1126.9169.1178.20000108.2V49 F51 S89 Y90 L92 L95 I131V49-V77 HydrophobicContact CG1-CG1 3.73Å; F51-V77 HydrophobicContact CD2-CG2 3.84Å; F51-V77 HydrophobicContact CE2-CG2 4.48Å; F51-V77 HydrophobicContact CG-CG2 4.48Å; V77-S89 CarbonylContact O-C 3.58Å; V77-Y90 PolarHBondContact N-O 3.08Å; V77-Y90 PolarHBondContact O-N 3.36Å; V77-L92 HydrophobicContact CB-CD1 4.31Å; V77-L92 HydrophobicContact CG2-CD1 3.68Å; V77-L92 HydrophobicContact CG2-CG 4.46Å; V77-L95 HydrophobicContact CG2-CD1 3.78Å; V77-I131 HydrophobicContact CG1-CG2 4.49Å; V77-I131 HydrophobicContact CG2-CD1 3.85Å
78F98.7Very high96.7Very high12 Ų1245 Ų455%0.05324%0.242CC..EExtended strand (participates in β ladder)trans-103124.9176.8-66.8-97.7000109.7D27 P29 V49 L50 H76 I80 T88D27-F78 HydrophobicContact CB-CE1 4.45Å; D27-F78 VanDerWaalsContact O-CD1 3.22Å; D27-F78 WeakPolarHBondContact O-CD1 3.41Å; D27-F78 WeakPolarHBondContact O-CE1 3.49Å; P29-F78 HydrophobicContact CB-CD1 3.97Å; P29-F78 HydrophobicContact CB-CD2 4.1Å; P29-F78 HydrophobicContact CB-CE1 3.88Å; P29-F78 HydrophobicContact CB-CE2 4.02Å; P29-F78 HydrophobicContact CB-CG 4.08Å; P29-F78 HydrophobicContact CB-CZ 3.91Å; P29-F78 HydrophobicContact CG-CD1 4.33Å; P29-F78 HydrophobicContact CG-CG 4.46Å; V49-F78 WeakPolarHBondContact CA-O 3.49Å; L50-F78 HydrophobicContact CB-CB 4.21Å; L50-F78 HydrophobicContact CD2-CB 4.31Å; L50-F78 HydrophobicContact CD2-CD2 3.78Å; L50-F78 HydrophobicContact CD2-CG 4.3Å; L50-F78 PolarHBondContact N-O 2.97Å; L50-F78 PolarHBondContact O-N 3.39Å; H76-F78 HydrophobicContact CB-CD2 4.46Å; H76-F78 HydrophobicContact CB-CE2 3.84Å; H76-F78 HydrophobicContact CB-CZ 4.22Å; F78-I80 HydrophobicContact CB-CG1 4.48Å; F78-T88 WeakPolarHBondContact CA-O 3.21Å
79L98.5Very high96.8Very high4 Ų440.9 Ų40.92%0.02122%0.223CC..EExtended strand (participates in β ladder)trans-88.5128.3163.6-62.6-168.6000108.8M47 G48 V49 A87 T88 Y90 V133 P140 V142M47-L79 HydrophobicContact CG-CB 3.92Å; M47-L79 HydrophobicContact CG-CD1 4.39Å; M47-L79 HydrophobicContact CG-CD2 4.12Å; M47-L79 HydrophobicContact CG-CG 4.37Å; M47-L79 HydrophobicContact SD-CB 4.07Å; G48-L79 CarbonylContact O-C 3.55Å; G48-L79 WeakPolarHBondContact O-CA 3.1Å; V49-L79 HydrophobicContact CG2-CD2 3.96Å; L79-A87 CarbonylContact O-C 3.43Å; L79-A87 VanDerWaalsContact O-CA 3.29Å; L79-A87 WeakPolarHBondContact O-CA 3.42Å; L79-T88 PolarHBondContact N-O 3.11Å; L79-T88 PolarHBondContact O-N 3.09Å; L79-Y90 HydrophobicContact CB-CE2 4.16Å; L79-Y90 HydrophobicContact CD1-CD2 4.31Å; L79-Y90 HydrophobicContact CD1-CE2 3.59Å; L79-Y90 HydrophobicContact CG-CD2 3.98Å; L79-Y90 HydrophobicContact CG-CE2 3.64Å; L79-V133 HydrophobicContact CD1-CG1 3.98Å; L79-V133 HydrophobicContact CD2-CG1 3.99Å; L79-V133 HydrophobicContact CD2-CG2 3.95Å; L79-P140 HydrophobicContact CD1-CB 3.5Å; L79-P140 VanDerWaalsContact CD1-CB 3.5Å; L79-P140 HydrophobicContact CD1-CG 3.99Å; L79-V142 HydrophobicContact CD1-CG2 3.66Å; L79-V142 HydrophobicContact CD2-CG2 4.23Å; L79-V142 HydrophobicContact CG-CG2 4.06Å
80I98Very high96.8Very high0 Ų040.6 Ų40.60%022%0.215CC..EExtended strand (participates in β ladder)trans-124.1113.3-177.6-61.2159.1000109.4I2 L24 I37 G48 L50 F78 F82 C86 A87I2-I80 HydrophobicContact CD1-CD1 3.86Å; I2-I80 HydrophobicContact CD1-CG2 3.97Å; L24-I80 HydrophobicContact CD2-CG2 3.89Å; I37-I80 HydrophobicContact CD1-CD1 4.24Å; G48-I80 WeakPolarHBondContact CA-O 3.45Å; G48-I80 PolarHBondContact N-O 2.93Å; G48-I80 PolarHBondContact O-N 2.92Å; L50-I80 HydrophobicContact CB-CD1 3.75Å; L50-I80 HydrophobicContact CD1-CD1 4.05Å; F78-I80 HydrophobicContact CB-CG1 4.48Å; I80-F82 HydrophobicContact CB-CE1 4.43Å; I80-F82 HydrophobicContact CG2-CD1 3.93Å; I80-F82 HydrophobicContact CG2-CE1 3.74Å; I80-F82 HydrophobicContact CG2-CZ 4.41Å; I80-F82 PolarHBondContact O-N 2.71Å; I80-C86 WeakPolarHBondContact CA-O 3.37Å; I80-A87 HydrophobicContact CG1-CB 4.36Å
81D95.4Very high96.8Very high36 Ų3645.3 Ų45.319%0.19324%0.238CC..EExtended strand (participates in β ladder)trans-82.8111.1171.7-171-40.9000109.1M47 E83 F84 G85 C86M47-D81 HydrophobicContact CE-CB 4.12Å; M47-D81 HydrophobicContact SD-CB 4.02Å; M47-D81 PolarHBondContact SD-N 3.02Å; M47-D81 VanDerWaalsContact SD-N 3.39Å; D81-E83 VanDerWaalsContact C-N 3.33Å; D81-E83 WeakPolarHBondContact OD1-CA 3.23Å; D81-E83 VanDerWaalsContact OD1-CB 3.3Å; D81-E83 WeakPolarHBondContact OD1-CB 3.45Å; D81-E83 PolarHBondContact OD1-N 2.87Å; D81-F84 PolarHBondContact OD1-N 2.79Å; D81-F84 VanDerWaalsContact OD1-N 3.1Å; D81-F84 WeakPolarHBondContact OD2-CD2 3.34Å; D81-G85 CarbonylContact O-C 3.52Å; D81-G85 WeakPolarHBondContact O-CA 3.42Å; D81-G85 PolarHBondContact O-N 2.9Å; D81-C86 HydrophobicContact CB-CB 4.35Å; D81-C86 PolarHBondContact N-O 2.92Å; D81-C86 PolarHBondContact O-N 3.33Å
82F92.4Very high96.8Very high52 Ų5244.4 Ų44.423%0.22823%0.228CC..THydrogen-bonded Turntrans-76.2-18.7-179.7-59.8-61.6000113.7I2 I4 K22 I37 V39 I80I2-F82 HydrophobicContact CD1-CE1 4.13Å; I2-F82 HydrophobicContact CG2-CD1 4.39Å; I2-F82 HydrophobicContact CG2-CE1 4.16Å; I4-F82 HydrophobicContact CD1-CB 4.46Å; K22-F82 WeakPolarHBondContact CE-O 3.19Å; K22-F82 PolarHBondContact NZ-O 3.45Å; K22-F82 VanDerWaalsContact NZ-O 3.09Å; I37-F82 HydrophobicContact CD1-CE1 4.41Å; I37-F82 HydrophobicContact CD1-CZ 4.05Å; V39-F82 HydrophobicContact CG2-CE2 4.21Å; I80-F82 HydrophobicContact CB-CE1 4.43Å; I80-F82 HydrophobicContact CG2-CD1 3.93Å; I80-F82 HydrophobicContact CG2-CE1 3.74Å; I80-F82 HydrophobicContact CG2-CZ 4.41Å; I80-F82 PolarHBondContact O-N 2.71Å
83E91.3Very high96.7Very high146 Ų14647.5 Ų47.568%0.68225%0.25SC*.THydrogen-bonded Turntrans-73.1-48.9177.6-172.8174.117900109.8K22 D81K22-E83 PolarHBondContact NZ-O 2.92Å; D81-E83 VanDerWaalsContact C-N 3.33Å; D81-E83 WeakPolarHBondContact OD1-CA 3.23Å; D81-E83 VanDerWaalsContact OD1-CB 3.3Å; D81-E83 WeakPolarHBondContact OD1-CB 3.45Å; D81-E83 PolarHBondContact OD1-N 2.87Å
84F91.9Very high96.7Very high138 Ų13850.2 Ų50.261%0.60526%0.262SS*.THydrogen-bonded Turntrans-98.9-14.6-177.8-59.4-71.4000114.3D81 C86D81-F84 PolarHBondContact OD1-N 2.79Å; D81-F84 VanDerWaalsContact OD1-N 3.1Å; D81-F84 WeakPolarHBondContact OD2-CD2 3.34Å; F84-C86 VanDerWaalsContact C-N 3.34Å
85G93.5Very high96.6Very high1 Ų145.3 Ų45.31%0.0124%0.236CC..THydrogen-bonded Turntrans74.623.3-17500000113.2L24 V25 D81L24-G85 CarbonylContact C-O 3.53Å; L24-G85 WeakPolarHBondContact CA-O 3.4Å; V25-G85 PolarHBondContact N-O 2.82Å; D81-G85 CarbonylContact O-C 3.52Å; D81-G85 WeakPolarHBondContact O-CA 3.42Å; D81-G85 PolarHBondContact O-N 2.9Å
86C94.5Very high96.4Very high55 Ų5551 Ų5137%0.37226%0.261SS..EExtended strand (participates in β ladder)trans-90.8129-178-63.20000110.7I80 D81 F84I80-C86 WeakPolarHBondContact CA-O 3.37Å; D81-C86 HydrophobicContact CB-CB 4.35Å; D81-C86 PolarHBondContact N-O 2.92Å; D81-C86 PolarHBondContact O-N 3.33Å; F84-C86 VanDerWaalsContact C-N 3.34Å
87A97.4Very high96.2Very high3 Ų353.8 Ų53.83%0.02528%0.278CS..EExtended strand (participates in β ladder)trans-109.6138.517300000110.8V25 D27 L79 I80V25-A87 PolarHBondContact O-N 2.87Å; D27-A87 PolarHBondContact N-O 2.77Å; D27-A87 WeakPolarHBondContact O-CB 3.41Å; L79-A87 CarbonylContact O-C 3.43Å; L79-A87 VanDerWaalsContact O-CA 3.29Å; L79-A87 WeakPolarHBondContact O-CA 3.42Å; I80-A87 HydrophobicContact CG1-CB 4.36Å
88T97.8Very high96.1Very high62 Ų6254.4 Ų54.438%0.3828%0.284SS..EExtended strand (participates in β ladder)trans-136.3132.1174.5-530000109.5F78 L79 Y90F78-T88 WeakPolarHBondContact CA-O 3.21Å; L79-T88 PolarHBondContact N-O 3.11Å; L79-T88 PolarHBondContact O-N 3.09Å; T88-Y90 HydrophobicContact CG2-CE2 3.74Å
89S98.3Very high96.1Very high38 Ų3854.2 Ų54.227%0.26628%0.284SS..EExtended strand (participates in β ladder)trans-95.7142.9-178.2670000112.2D27 V77D27-S89 PolarHBondContact OD2-N 2.9Å; D27-S89 PolarHBondContact OD2-OG 2.82Å; V77-S89 CarbonylContact O-C 3.58Å
90Y98.4Very high96.1Very high41 Ų4154 Ų5416%0.16128%0.283CS..EExtended strand (participates in β ladder)trans-128.2129.3178.1-67.1-98.9000109.3H76 V77 L79 T88 V142H76-Y90 WeakPolarHBondContact CA-O 3.22Å; V77-Y90 PolarHBondContact N-O 3.08Å; V77-Y90 PolarHBondContact O-N 3.36Å; L79-Y90 HydrophobicContact CB-CE2 4.16Å; L79-Y90 HydrophobicContact CD1-CD2 4.31Å; L79-Y90 HydrophobicContact CD1-CE2 3.59Å; L79-Y90 HydrophobicContact CG-CD2 3.98Å; L79-Y90 HydrophobicContact CG-CE2 3.64Å; T88-Y90 HydrophobicContact CG2-CE2 3.74Å; Y90-V142 HydrophobicContact CD1-CB 3.96Å; Y90-V142 HydrophobicContact CD1-CG2 3.76Å; Y90-V142 HydrophobicContact CD2-CG2 3.91Å; Y90-V142 HydrophobicContact CE1-CB 4.42Å; Y90-V142 HydrophobicContact CE1-CG2 3.86Å; Y90-V142 HydrophobicContact CE2-CG2 4.02Å; Y90-V142 HydrophobicContact CG-CB 4.1Å; Y90-V142 HydrophobicContact CG-CG2 3.8Å
91I98.3Very high96.1Very high129 Ų12959.4 Ų59.466%0.66231%0.306SS*.  trans-97122.1173-51.8-178.8000107
92L98.1Very high96.3Very high11 Ų1158.4 Ų58.46%0.05830%0.3CS..  trans-115.7127.5-176.9-56.5177.7000109.3V77 E94 L95 I131 V142 C144V77-L92 HydrophobicContact CB-CD1 4.31Å; V77-L92 HydrophobicContact CG2-CD1 3.68Å; V77-L92 HydrophobicContact CG2-CG 4.46Å; L92-E94 PolarHBondContact O-N 2.86Å; L92-E94 VanDerWaalsContact O-N 3.16Å; L92-L95 HydrophobicContact CB-CD1 4.2Å; L92-L95 HydrophobicContact CB-CG 4.42Å; L92-L95 HydrophobicContact CD1-CD1 4.09Å; L92-L95 PolarHBondContact O-N 2.91Å; L92-I131 HydrophobicContact CD1-CG2 4.49Å; L92-V142 HydrophobicContact CD1-CG1 3.84Å; L92-V142 HydrophobicContact CD2-CB 4.44Å; L92-V142 HydrophobicContact CD2-CG1 4.18Å; L92-C144 HydrophobicContact CB-CB 4.12Å; L92-C144 HydrophobicContact CD1-CB 3.72Å; L92-C144 HydrophobicContact CG-CB 4.46Å
93P97.3Very high96.6Very high92 Ų9260.1 Ų60.160%0.59732%0.315SS*.THydrogen-bonded Turntrans-66.2-17.6-173.227-34.6000113.6L95 Q96P93-L95 VanDerWaalsContact C-N 3.29Å; P93-Q96 PolarHBondContact O-NE2 2.93Å
94E97.6Very high96.9Very high61 Ų6154.6 Ų54.629%0.28529%0.292SS..THydrogen-bonded Turntrans-76.4-18.9175-5975.9-166.500112.4L92 C144 V146L92-E94 PolarHBondContact O-N 2.86Å; L92-E94 VanDerWaalsContact O-N 3.16Å; E94-C144 HydrophobicContact CB-CB 4.07Å; E94-C144 HydrophobicContact CG-CB 4.21Å; E94-C144 WeakPolarHBondContact OE2-CB 3.39Å; E94-V146 HydrophobicContact CB-CG2 4.07Å; E94-V146 HydrophobicContact CG-CG2 4.38Å
95L96.9Very high97.3Very high9 Ų952.3 Ų52.35%0.04729%0.285CS..  trans-10783.6-175.8-59.6174.3000109.8F51 P75 V77 L92 P93 Y129 I131F51-L95 HydrophobicContact CD2-CD1 4.26Å; F51-L95 HydrophobicContact CE2-CD1 3.68Å; F51-L95 HydrophobicContact CE2-CG 4.48Å; F51-L95 HydrophobicContact CZ-CD1 3.99Å; F51-L95 HydrophobicContact CZ-CD2 4.01Å; F51-L95 HydrophobicContact CZ-CG 4.44Å; P75-L95 HydrophobicContact CB-CB 4.18Å; P75-L95 VanDerWaalsContact CG-O 3.23Å; P75-L95 WeakPolarHBondContact CG-O 3.45Å; V77-L95 HydrophobicContact CG2-CD1 3.78Å; L92-L95 HydrophobicContact CB-CD1 4.2Å; L92-L95 HydrophobicContact CB-CG 4.42Å; L92-L95 HydrophobicContact CD1-CD1 4.09Å; L92-L95 PolarHBondContact O-N 2.91Å; P93-L95 VanDerWaalsContact C-N 3.29Å; L95-Y129 HydrophobicContact CD2-CD1 3.56Å; L95-Y129 HydrophobicContact CD2-CD2 4.09Å; L95-Y129 HydrophobicContact CD2-CE1 3.77Å; L95-Y129 HydrophobicContact CD2-CE2 4.26Å; L95-Y129 HydrophobicContact CD2-CG 3.73Å; L95-I131 HydrophobicContact CD1-CD1 4.33Å
96Q93.7Very high97.5Very high140 Ų14054 Ų5465%0.65430%0.299SS*.  trans-86.9-38.2-175.4-66.6-62.4-46.300113.5P93P93-Q96 PolarHBondContact O-NE2 2.93Å
97D94.3Very high97.7Very high100 Ų10060.1 Ų60.154%0.53531%0.314SS..SBendtrans-106.8146.7-177.5-68.4-43.2000111.9P75P75-D97 WeakPolarHBondContact CB-O 3.43Å
98G96.4Very high97.7Very high13 Ų1365 Ų6513%0.13434%0.34CS..  trans-58.4142.7167.400000111.3S118G98-S118 WeakPolarHBondContact O-CB 3.28Å; G98-S118 PolarHBondContact O-OG 2.92Å
99L98.3Very high97.7Very high8 Ų863.4 Ų63.44%0.04233%0.329CS..  trans-137.3139-177-165.272000110.3F51 G52 G53 H102 I113 G115 P125F51-L99 HydrophobicContact CE1-CB 4.18Å; F51-L99 HydrophobicContact CE1-CD2 4.14Å; F51-L99 HydrophobicContact CZ-CB 4.36Å; G52-L99 CarbonylContact C-O 3.51Å; G52-L99 WeakPolarHBondContact CA-O 3.34Å; G53-L99 PolarHBondContact N-O 2.82Å; L99-H102 HydrophobicContact CD2-CB 3.9Å; L99-H102 HydrophobicContact CG-CB 4.36Å; L99-I113 HydrophobicContact CD2-CG2 3.87Å; L99-G115 WeakPolarHBondContact CD2-O 3.27Å; L99-P125 HydrophobicContact CD1-CG 3.89Å
100S98.6Very high97.7Very high0 Ų062.2 Ų62.20%032%0.321CS..BIsolated β-bridgetrans-140.3157-178.956.10000110.8R54 D72 H102 G116 H117R54-S100 PolarHBondContact NE-OG 2.88Å; R54-S100 PolarHBondContact NH2-OG 3.05Å; D72-S100 WeakPolarHBondContact OD1-CB 3.44Å; D72-S100 PolarHBondContact OD1-OG 2.83Å; S100-H102 PolarHBondContact O-N 2.8Å; S100-H102 VanDerWaalsContact O-N 3.12Å; S100-G116 CarbonylContact O-C 3.49Å; S100-G116 WeakPolarHBondContact O-CA 3.22Å; S100-H117 PolarHBondContact N-O 3.12Å; S100-H117 PolarHBondContact O-N 2.94Å; S100-H117 PolarHBondContact OG-O 2.92Å
101F98.6Very high97.8Very high112 Ų11260.3 Ų60.349%0.49131%0.313SS..SBendtrans55.328.1178.9-49.9-73.4000114.1Y33 G34Y33-F101 HydrophobicContact CD2-CZ 4.36Å; Y33-F101 AromaticContact CE2-CZ 3.92Å; Y33-F101 HydrophobicContact CE2-CZ 3.92Å; G34-F101 PolarHBondContact O-N 2.92Å
102H98.6Very high97.8Very high16 Ų1657.7 Ų57.77%0.07430%0.296CS..  trans-76.416116854.8-87.5000110.7S36 F51 L99 S100 I113S36-H102 WeakPolarHBondContact CB-NE2 3.3Å; S36-H102 PolarHBondContact OG-NE2 2.95Å; F51-H102 AromaticContact CD1-CE1 3.85Å; F51-H102 AromaticContact CD1-NE2 3.85Å; F51-H102 PolarHBondContact O-CE1 2.83Å; L99-H102 HydrophobicContact CD2-CB 3.9Å; L99-H102 HydrophobicContact CG-CB 4.36Å; S100-H102 PolarHBondContact O-N 2.8Å; S100-H102 VanDerWaalsContact O-N 3.12Å; H102-I113 HydrophobicContact CB-CG2 3.91Å
103V98.6Very high97.8Very high88 Ų8857.3 Ų57.353%0.53329%0.293SS..EExtended strand (participates in β ladder)trans-92.1142.1166.9176.30000108.1I105 L114V103-I105 HydrophobicContact CG1-CG1 4.24Å; V103-L114 HydrophobicContact CB-CB 4.39Å; V103-L114 HydrophobicContact CB-CD1 4.47Å; V103-L114 HydrophobicContact CG1-CD1 4.31Å; V103-L114 PolarHBondContact N-O 3.16Å; V103-L114 PolarHBondContact O-N 3.48Å
104S98.8Very high97.9Very high29 Ų2955.9 Ų55.920%0.20328%0.281CS..EExtended strand (participates in β ladder)trans-122.1143.6171.261.80000111.1S36 D38 Y112S36-S104 WeakPolarHBondContact CB-OG 3.5Å; D38-S104 PolarHBondContact OD1-OG 2.96Å; D38-S104 WeakPolarHBondContact OD2-CB 3.45Å; D38-S104 PolarHBondContact OD2-OG 2.8Å; S104-Y112 CarbonylContact C-O 3.54Å; S104-Y112 VanDerWaalsContact CA-O 3.23Å; S104-Y112 WeakPolarHBondContact CA-O 3.45Å
105I98.7Very high97.8Very high91 Ų9154.3 Ų54.347%0.46728%0.281SS..EExtended strand (participates in β ladder)trans-135.6114.5179.6-54.8175.1000108V103 V111 Y112 L114V103-I105 HydrophobicContact CG1-CG1 4.24Å; I105-V111 WeakPolarHBondContact O-CA 3.07Å; I105-Y112 PolarHBondContact N-O 3.36Å; I105-Y112 WeakPolarHBondContact O-CD2 3.44Å; I105-Y112 PolarHBondContact O-N 3.34Å; I105-L114 HydrophobicContact CB-CD1 4.48Å; I105-L114 HydrophobicContact CD1-CD1 3.7Å; I105-L114 HydrophobicContact CG1-CD1 3.8Å
106A98.7Very high97.8Very high36 Ų3654.5 Ų54.530%0.29829%0.285SS..EExtended strand (participates in β ladder)trans-95.1140.2173.600000113D38 V39 T110 V111D38-A106 HydrophobicContact CB-CB 3.68Å; V39-A106 WeakPolarHBondContact O-CB 3.22Å; A106-T110 WeakPolarHBondContact CA-O 3.38Å; A106-V111 HydrophobicContact CB-CG2 4.15Å
107R98.2Very high98.1Very high183 Ų18348.8 Ų48.869%0.69126%0.258SS*.EExtended strand (participates in β ladder)trans-146.6124.4168.3-174.7179.8-179.3-167.10.5109.4D109 T110R107-D109 PolarHBondContact O-N 2.83Å; R107-T110 PolarHBondContact N-O 2.9Å; R107-T110 PolarHBondContact O-N 2.68Å; R107-T110 VanDerWaalsContact O-N 3.11Å
108N97.9Very high98.2Very high107 Ų10744.2 Ų44.257%0.57223%0.234SC*.THydrogen-bonded Turntrans53.1-122.9-177-55.9-23.3000110.9V40 Y41 T110V40-N108 CarbonylContact C-O 3.5Å; V40-N108 VanDerWaalsContact CA-O 3.24Å; V40-N108 WeakPolarHBondContact CA-O 3.17Å; V40-N108 WeakPolarHBondContact CB-O 3.35Å; Y41-N108 PolarHBondContact N-O 3.36Å; Y41-N108 CarbonylContact O-C 3.2Å; N108-T110 VanDerWaalsContact C-N 3.29Å; N108-T110 PolarHBondContact O-N 2.82Å
109D98.3Very high98.3Very high28 Ų2846.3 Ų46.315%0.1524%0.242CC..THydrogen-bonded Turntrans-88.111.4-177.266.6-22.8000113.3Y41 R107 R132 V133Y41-D109 WeakPolarHBondContact O-CA 3.31Å; Y41-D109 PolarHBondContact O-N 2.87Å; R107-D109 PolarHBondContact O-N 2.83Å; D109-R132 IonicContact OD2-CZ 3.49Å; D109-R132 VanDerWaalsContact OD2-CZ 3.28Å; D109-R132 IonicContact OD2-NE 2.77Å; D109-R132 PolarHBondContact OD2-NE 2.7Å; D109-R132 IonicContact OD2-NH2 2.89Å; D109-R132 PolarHBondContact OD2-NH2 3.41Å; D109-V133 PolarHBondContact O-N 3.02Å
110T98.7Very high98.2Very high13 Ų1350.5 Ų50.58%0.0828%0.277CS..EExtended strand (participates in β ladder)trans-132.3138.1-167.5-56.80000111.9A106 R107 N108 Y112 R130 I131A106-T110 WeakPolarHBondContact CA-O 3.38Å; R107-T110 PolarHBondContact N-O 2.9Å; R107-T110 PolarHBondContact O-N 2.68Å; R107-T110 VanDerWaalsContact O-N 3.11Å; N108-T110 VanDerWaalsContact C-N 3.29Å; N108-T110 PolarHBondContact O-N 2.82Å; T110-Y112 HydrophobicContact CG2-CD2 4.3Å; T110-Y112 HydrophobicContact CG2-CE1 4.43Å; T110-Y112 HydrophobicContact CG2-CE2 3.73Å; T110-R130 HydrophobicContact CG2-CG 3.36Å; T110-I131 CarbonylContact C-O 3.54Å; T110-I131 WeakPolarHBondContact CA-O 3.19Å
111V98.8Very high98.2Very high1 Ų153.1 Ų53.11%0.00630%0.296CS..EExtended strand (participates in β ladder)trans-116.8131.4170.6-171.90000109.5D38 V40 V49 I105 A106 I113 I131D38-V111 HydrophobicContact CB-CG1 4.3Å; D38-V111 HydrophobicContact CB-CG2 4.21Å; V40-V111 HydrophobicContact CG1-CG2 3.38Å; V49-V111 HydrophobicContact CB-CG2 4.05Å; V49-V111 HydrophobicContact CG1-CG2 4.19Å; V49-V111 HydrophobicContact CG2-CG2 4.07Å; I105-V111 WeakPolarHBondContact O-CA 3.07Å; A106-V111 HydrophobicContact CB-CG2 4.15Å; V111-I113 HydrophobicContact CG1-CD1 3.9Å; V111-I131 PolarHBondContact N-O 3.22Å; V111-I131 PolarHBondContact O-N 3.49Å
112Y98.8Very high98.1Very high74 Ų7453.6 Ų53.629%0.2930%0.303SS..EExtended strand (participates in β ladder)trans-101.6129.2172.4-61.3-91.7000109.3S104 I105 T110 Y129 R130 L147S104-Y112 CarbonylContact C-O 3.54Å; S104-Y112 VanDerWaalsContact CA-O 3.23Å; S104-Y112 WeakPolarHBondContact CA-O 3.45Å; I105-Y112 PolarHBondContact N-O 3.36Å; I105-Y112 WeakPolarHBondContact O-CD2 3.44Å; I105-Y112 PolarHBondContact O-N 3.34Å; T110-Y112 HydrophobicContact CG2-CD2 4.3Å; T110-Y112 HydrophobicContact CG2-CE1 4.43Å; T110-Y112 HydrophobicContact CG2-CE2 3.73Å; Y112-Y129 CarbonylContact C-O 3.59Å; Y112-Y129 VanDerWaalsContact CA-O 3.31Å; Y112-Y129 WeakPolarHBondContact CA-O 3.1Å; Y112-R130 HydrophobicContact CD1-CB 4.05Å; Y112-R130 HydrophobicContact CD1-CG 4.03Å; Y112-R130 HydrophobicContact CE1-CB 4.03Å; Y112-R130 HydrophobicContact CE1-CG 3.63Å; Y112-L147 HydrophobicContact CD1-CD1 4.14Å; Y112-L147 HydrophobicContact CE1-CD1 3.93Å
113I98.6Very high98.1Very high2 Ų257.4 Ų57.41%0.0132%0.323CS..EExtended strand (participates in β ladder)trans-109121.1176.2-54.2-59.2000108.5F51 L99 H102 V111 Y129 I131F51-I113 HydrophobicContact CD1-CD1 4.21Å; F51-I113 HydrophobicContact CD1-CG1 4.16Å; F51-I113 HydrophobicContact CD1-CG2 4.3Å; F51-I113 HydrophobicContact CE1-CG2 4.19Å; L99-I113 HydrophobicContact CD2-CG2 3.87Å; H102-I113 HydrophobicContact CB-CG2 3.91Å; V111-I113 HydrophobicContact CG1-CD1 3.9Å; I113-Y129 HydrophobicContact CB-CD2 4.37Å; I113-Y129 HydrophobicContact CG2-CD2 4.38Å; I113-Y129 PolarHBondContact N-O 2.98Å; I113-Y129 PolarHBondContact O-N 3.02Å; I113-I131 HydrophobicContact CG1-CD1 3.96Å
114L98.1Very high98.1Very high63 Ų6362.5 Ų62.533%0.3333%0.333SS..EExtended strand (participates in β ladder)trans-117.7126.8-172.6-5598000111.4V103 I105 G116 L128V103-L114 HydrophobicContact CB-CB 4.39Å; V103-L114 HydrophobicContact CB-CD1 4.47Å; V103-L114 HydrophobicContact CG1-CD1 4.31Å; V103-L114 PolarHBondContact N-O 3.16Å; V103-L114 PolarHBondContact O-N 3.48Å; I105-L114 HydrophobicContact CB-CD1 4.48Å; I105-L114 HydrophobicContact CD1-CD1 3.7Å; I105-L114 HydrophobicContact CG1-CD1 3.8Å; L114-G116 PolarHBondContact O-N 3.45Å; L114-L128 HydrophobicContact CD1-CD1 4.49Å; L114-L128 HydrophobicContact CD2-CD1 3.89Å; L114-L128 HydrophobicContact CG-CD1 3.6Å
115G96.3Very high97.9Very high28 Ų2862.3 Ų62.329%0.28933%0.331SS..  trans64.7-125.1172.200000112.6L99 N127L99-G115 WeakPolarHBondContact CD2-O 3.27Å; G115-N127 PolarHBondContact N-O 3.12Å
116G97.7Very high97.7Very high13 Ų1362.9 Ų62.913%0.13435%0.349CS..  trans90.3-171.4-176.200000113.7S100 L114 R124S100-G116 CarbonylContact O-C 3.49Å; S100-G116 WeakPolarHBondContact O-CA 3.22Å; L114-G116 PolarHBondContact O-N 3.45Å; G116-R124 WeakPolarHBondContact O-CA 3.29Å
117H98.4Very high97.3Very high20 Ų2064.4 Ų64.49%0.09335%0.353CS..BIsolated β-bridgetrans-139126.3-179-179.2-80.2000110.3R54 S100 N122 R124R54-H117 PolarHBondContact NH2-ND1 2.98Å; S100-H117 PolarHBondContact N-O 3.12Å; S100-H117 PolarHBondContact O-N 2.94Å; S100-H117 PolarHBondContact OG-O 2.92Å; H117-N122 PolarHBondContact NE2-OD1 2.97Å; H117-R124 HydrophobicContact CB-CG 4.47Å
118S98.3Very high97.3Very high4 Ų457.9 Ų57.93%0.02833%0.331CS..BIsolated β-bridgetrans-95.8120.2168.2-173.90000109.6D72 G98 N122 I123D72-S118 WeakPolarHBondContact OD2-CA 3.13Å; G98-S118 WeakPolarHBondContact O-CB 3.28Å; G98-S118 PolarHBondContact O-OG 2.92Å; S118-N122 WeakPolarHBondContact O-CA 3.12Å; S118-N122 PolarHBondContact O-N 3.05Å; S118-I123 PolarHBondContact N-O 3.48Å; S118-I123 PolarHBondContact O-N 3.22Å; S118-I123 VanDerWaalsContact O-N 3.16Å
119L98.1Very high97.3Very high57 Ų5754.1 Ų54.130%0.29831%0.309SS..THydrogen-bonded Turntrans-75.4-32.6-177.6-171.262000112.1V70 D72 N122V70-L119 HydrophobicContact CG2-CD2 4.16Å; V70-L119 WeakPolarHBondContact O-CD2 3.22Å; D72-L119 VanDerWaalsContact OD2-CB 3.27Å; D72-L119 WeakPolarHBondContact OD2-CB 3.07Å; D72-L119 PolarHBondContact OD2-N 2.83Å; L119-N122 PolarHBondContact O-N 3.07Å
120A96.3Very high97.4Very high95 Ų9557 Ų5779%0.78532%0.318SS*.THydrogen-bonded Turntrans-64.2-43.7-179.300000112.1
121S96.9Very high97.4Very high55 Ų5556.4 Ų56.439%0.38531%0.314SS..THydrogen-bonded Turntrans-94.1-12.5176.857.30000113.5I123S121-I123 VanDerWaalsContact C-N 3.29Å; S121-I123 PolarHBondContact O-N 3.33Å
122N97.9Very high97.4Very high122 Ų12263.1 Ų63.165%0.65234%0.339SS*.THydrogen-bonded Turntrans56.940.7-173-165.236.1000112.8H117 S118 L119H117-N122 PolarHBondContact NE2-OD1 2.97Å; S118-N122 WeakPolarHBondContact O-CA 3.12Å; S118-N122 PolarHBondContact O-N 3.05Å; L119-N122 PolarHBondContact O-N 3.07Å
123I98Very high97.3Very high96 Ų9659.6 Ų59.649%0.49233%0.326SS..BIsolated β-bridgetrans-117.7146.4-176.5-66172.3000110.3S118 S121 P125S118-I123 PolarHBondContact N-O 3.48Å; S118-I123 PolarHBondContact O-N 3.22Å; S118-I123 VanDerWaalsContact O-N 3.16Å; S121-I123 VanDerWaalsContact C-N 3.29Å; S121-I123 PolarHBondContact O-N 3.33Å; I123-P125 WeakPolarHBondContact O-CD 3.07Å
124R98.1Very high97.3Very high195 Ų19561.7 Ų61.774%0.73634%0.337SS*.  trans-101.793.4165.1-65.2176.8-174.1-95.30.4108.3G116 H117G116-R124 WeakPolarHBondContact O-CA 3.29Å; H117-R124 HydrophobicContact CB-CG 4.47Å
125P95.1Very high97.2Very high26 Ų2659 Ų5917%0.16932%0.323CS..  trans-67.1144.8-175.127.8-34.5000110.6L99 I123 N127L99-P125 HydrophobicContact CD1-CG 3.89Å; I123-P125 WeakPolarHBondContact O-CD 3.07Å; P125-N127 HydrophobicContact CB-CB 4.39Å; P125-N127 PolarHBondContact O-N 3.39Å
126A94.3Very high97Very high103 Ų10359.7 Ų59.785%0.85132%0.322SS*.  trans-86.119.7171.900000112.2
127N91.5Very high96.4Very high68 Ų6867.3 Ų67.336%0.36436%0.359SS..  trans-78.2143.2-176.6-65.3-11.6000111G115 P125 Y129G115-N127 PolarHBondContact N-O 3.12Å; P125-N127 HydrophobicContact CB-CB 4.39Å; P125-N127 PolarHBondContact O-N 3.39Å; N127-Y129 HydrophobicContact CB-CD2 4.41Å; N127-Y129 HydrophobicContact CB-CE1 4.4Å; N127-Y129 HydrophobicContact CB-CE2 3.73Å; N127-Y129 PolarHBondContact ND2-OH 3.19Å
128L97.6Very high95.9Very high46 Ų4669.4 Ų69.424%0.24139%0.386CS..EExtended strand (participates in β ladder)trans-113.9111.2168.7174.860.9000108.4L114 L147L114-L128 HydrophobicContact CD1-CD1 4.49Å; L114-L128 HydrophobicContact CD2-CD1 3.89Å; L114-L128 HydrophobicContact CG-CD1 3.6Å; L128-L147 HydrophobicContact CB-CB 4.16Å; L128-L147 HydrophobicContact CD2-CB 3.9Å; L128-L147 HydrophobicContact CD2-CD1 3.8Å; L128-L147 HydrophobicContact CD2-CG 4.43Å; L128-L147 HydrophobicContact CG-CB 3.96Å; L128-L147 HydrophobicContact CG-CD1 4.03Å; L128-L147 HydrophobicContact CG-CG 4.39Å; L128-L147 PolarHBondContact O-N 3.44Å
129Y98.5Very high95.5Very high28 Ų2874.6 Ų74.611%0.1142%0.418CS..EExtended strand (participates in β ladder)trans-96137.4175.5-54.1-84.4000110.1L95 Y112 I113 N127 V146L95-Y129 HydrophobicContact CD2-CD1 3.56Å; L95-Y129 HydrophobicContact CD2-CD2 4.09Å; L95-Y129 HydrophobicContact CD2-CE1 3.77Å; L95-Y129 HydrophobicContact CD2-CE2 4.26Å; L95-Y129 HydrophobicContact CD2-CG 3.73Å; Y112-Y129 CarbonylContact C-O 3.59Å; Y112-Y129 VanDerWaalsContact CA-O 3.31Å; Y112-Y129 WeakPolarHBondContact CA-O 3.1Å; I113-Y129 HydrophobicContact CB-CD2 4.37Å; I113-Y129 HydrophobicContact CG2-CD2 4.38Å; I113-Y129 PolarHBondContact N-O 2.98Å; I113-Y129 PolarHBondContact O-N 3.02Å; N127-Y129 HydrophobicContact CB-CD2 4.41Å; N127-Y129 HydrophobicContact CB-CE1 4.4Å; N127-Y129 HydrophobicContact CB-CE2 3.73Å; N127-Y129 PolarHBondContact ND2-OH 3.19Å; Y129-V146 HydrophobicContact CD1-CG2 3.88Å; Y129-V146 HydrophobicContact CE1-CG2 3.8Å
130R98.7Very high95.4Very high89 Ų8973.6 Ų73.634%0.33641%0.414SS..EExtended strand (participates in β ladder)trans-114.8111.3171.3-179.1-172.864.1-170.9-3.7108.8T110 Y112 C144 T145 L147T110-R130 HydrophobicContact CG2-CG 3.36Å; Y112-R130 HydrophobicContact CD1-CB 4.05Å; Y112-R130 HydrophobicContact CD1-CG 4.03Å; Y112-R130 HydrophobicContact CE1-CB 4.03Å; Y112-R130 HydrophobicContact CE1-CG 3.63Å; R130-C144 CarbonylContact O-C 3.57Å; R130-C144 WeakPolarHBondContact O-CA 3.28Å; R130-T145 PolarHBondContact N-O 3.26Å; R130-T145 PolarHBondContact NE-OG1 3.32Å; R130-T145 VanDerWaalsContact NE-OG1 3.08Å; R130-T145 PolarHBondContact NH2-OG1 2.91Å; R130-T145 PolarHBondContact O-N 2.99Å; R130-L147 HydrophobicContact CB-CD1 3.88Å; R130-L147 HydrophobicContact CB-CD2 4.48Å; R130-L147 HydrophobicContact CB-CG 4.06Å
131I98.8Very high95.4Very high0 Ų071.7 Ų71.70%040%0.398CS..EExtended strand (participates in β ladder)trans-99.1121.5176.1-59.4166.8000108.1V77 L92 L95 T110 V111 I113 V133 V142 N143 C144V77-I131 HydrophobicContact CG1-CG2 4.49Å; V77-I131 HydrophobicContact CG2-CD1 3.85Å; L92-I131 HydrophobicContact CD1-CG2 4.49Å; L95-I131 HydrophobicContact CD1-CD1 4.33Å; T110-I131 CarbonylContact C-O 3.54Å; T110-I131 WeakPolarHBondContact CA-O 3.19Å; V111-I131 PolarHBondContact N-O 3.22Å; V111-I131 PolarHBondContact O-N 3.49Å; I113-I131 HydrophobicContact CG1-CD1 3.96Å; I131-V133 HydrophobicContact CG2-CG2 4.41Å; I131-V142 HydrophobicContact CG2-CG1 3.84Å; I131-N143 CarbonylContact C-O 3.57Å; I131-N143 WeakPolarHBondContact CA-O 3.38Å; I131-C144 HydrophobicContact CG1-CB 4.4Å
132R98.6Very high95.5Very high142 Ų14270.1 Ų70.154%0.53639%0.387SS..EExtended strand (participates in β ladder)trans-110.8135.3177.1-171176-173.6172.73.9110.2D109 V142 N143D109-R132 IonicContact OD2-CZ 3.49Å; D109-R132 VanDerWaalsContact OD2-CZ 3.28Å; D109-R132 IonicContact OD2-NE 2.77Å; D109-R132 PolarHBondContact OD2-NE 2.7Å; D109-R132 IonicContact OD2-NH2 2.89Å; D109-R132 PolarHBondContact OD2-NH2 3.41Å; R132-V142 WeakPolarHBondContact O-CA 3.33Å; R132-N143 PolarHBondContact N-O 3.46Å; R132-N143 PolarHBondContact O-N 2.92Å
133V98.5Very high95.5Very high0 Ų068.9 Ų68.90%038%0.38CS..EExtended strand (participates in β ladder)trans-122.9110-177.5-177.60000109.8V40 S42 V49 L79 D109 I131 L135 A141 V142V40-V133 HydrophobicContact CG2-CB 3.98Å; V40-V133 HydrophobicContact CG2-CG1 4.18Å; V40-V133 HydrophobicContact CG2-CG2 4.27Å; S42-V133 WeakPolarHBondContact CB-O 3.34Å; V49-V133 HydrophobicContact CG2-CG2 3.99Å; L79-V133 HydrophobicContact CD1-CG1 3.98Å; L79-V133 HydrophobicContact CD2-CG1 3.99Å; L79-V133 HydrophobicContact CD2-CG2 3.95Å; D109-V133 PolarHBondContact O-N 3.02Å; I131-V133 HydrophobicContact CG2-CG2 4.41Å; V133-L135 HydrophobicContact CG1-CD2 3.91Å; V133-L135 HydrophobicContact CG1-CG 4.22Å; V133-A141 CarbonylContact C-O 3.6Å; V133-A141 WeakPolarHBondContact CA-O 3.47Å; V133-V142 HydrophobicContact CG2-CG1 4.43Å; V133-V142 HydrophobicContact CG2-CG2 4.46Å
134D97.1Very high95.5Very high46 Ų4664.3 Ų64.325%0.24636%0.356CS..EExtended strand (participates in β ladder)trans-95.8135.8170.2-165.612.1000110.5S42 R43 P136 P140 A141S42-D134 PolarHBondContact OG-OD1 2.86Å; R43-D134 IonicContact CZ-OD1 3.62Å; R43-D134 IonicContact CZ-OD2 3.63Å; R43-D134 IonicContact NE-OD1 3.57Å; R43-D134 PolarHBondContact NE-OD1 3.05Å; R43-D134 IonicContact NE-OD2 2.78Å; R43-D134 PolarHBondContact NE-OD2 2.92Å; R43-D134 IonicContact NH2-OD1 3.58Å; R43-D134 IonicContact NH2-OD2 2.88Å; R43-D134 PolarHBondContact NH2-OD2 2.91Å; D134-P136 WeakPolarHBondContact O-CD 3.5Å; D134-P140 WeakPolarHBondContact O-CA 3.22Å; D134-A141 HydrophobicContact CB-CB 4.36Å; D134-A141 PolarHBondContact N-O 2.74Å; D134-A141 PolarHBondContact O-N 3.17Å
135L95.8Very high95.5Very high7 Ų757 Ų574%0.03733%0.333CS..  trans-118.268.8-176.2-61174.5000110.8S42 K45 M47 V133 P140S42-L135 PolarHBondContact OG-N 3.46Å; K45-L135 HydrophobicContact CB-CB 4.35Å; K45-L135 HydrophobicContact CB-CD1 3.76Å; K45-L135 HydrophobicContact CD-CB 4.14Å; M47-L135 HydrophobicContact CB-CD1 3.86Å; M47-L135 HydrophobicContact CB-CD2 4.39Å; M47-L135 HydrophobicContact CE-CD2 4.11Å; V133-L135 HydrophobicContact CG1-CD2 3.91Å; V133-L135 HydrophobicContact CG1-CG 4.22Å; L135-P140 HydrophobicContact CD2-CB 3.92Å; L135-P140 HydrophobicContact CD2-CG 4.05Å
136P93.2Very high95.6Very high41 Ų4159.2 Ų59.227%0.26635%0.346SS..  trans-66.7-176.1177.831.4-36.6000112.1K45 D134 G138 T139K45-P136 PolarHBondContact NZ-O 3.46Å; D134-P136 WeakPolarHBondContact O-CD 3.5Å; P136-G138 PolarHBondContact O-N 2.99Å; P136-T139 WeakPolarHBondContact CG-O 3.31Å
137L85.6Confident95.7Very high173 Ų17356.4 Ų56.491%0.90632%0.317SS*.SBendtrans-72.7106.5162.9-69.5169.7000107.6
138G87.3Confident95.6Very high64 Ų6462 Ų6266%0.6636%0.357SS*.SBendtrans120.8-142.6-176.700000112.6P136P136-G138 PolarHBondContact O-N 2.99Å
139T90.4Very high95.5Very high114 Ų11462.9 Ų62.970%0.69936%0.363SS*.SBendtrans-70.9132-175.1-51.80000111.7P136P136-T139 WeakPolarHBondContact CG-O 3.31Å
140P95.4Very high95.3Very high35 Ų3564.7 Ų64.723%0.22738%0.376CS..  trans-58.1145.2171.3-24.434.5000112.3L79 D134 L135L79-P140 HydrophobicContact CD1-CB 3.5Å; L79-P140 VanDerWaalsContact CD1-CB 3.5Å; L79-P140 HydrophobicContact CD1-CG 3.99Å; D134-P140 WeakPolarHBondContact O-CA 3.22Å; L135-P140 HydrophobicContact CD2-CB 3.92Å; L135-P140 HydrophobicContact CD2-CG 4.05Å
141A96.3Very high95.1Very high55 Ų5563.3 Ų63.346%0.45538%0.379SS..EExtended strand (participates in β ladder)trans-108.4126.1169.900000109.3V133 D134V133-A141 CarbonylContact C-O 3.6Å; V133-A141 WeakPolarHBondContact CA-O 3.47Å; D134-A141 HydrophobicContact CB-CB 4.36Å; D134-A141 PolarHBondContact N-O 2.74Å; D134-A141 PolarHBondContact O-N 3.17Å
142V98.1Very high94.9Very high23 Ų2367.1 Ų67.114%0.13940%0.401CS..EExtended strand (participates in β ladder)trans-119.5128.5178.4-172.50000108.4L79 Y90 L92 I131 R132 V133L79-V142 HydrophobicContact CD1-CG2 3.66Å; L79-V142 HydrophobicContact CD2-CG2 4.23Å; L79-V142 HydrophobicContact CG-CG2 4.06Å; Y90-V142 HydrophobicContact CD1-CB 3.96Å; Y90-V142 HydrophobicContact CD1-CG2 3.76Å; Y90-V142 HydrophobicContact CD2-CG2 3.91Å; Y90-V142 HydrophobicContact CE1-CB 4.42Å; Y90-V142 HydrophobicContact CE1-CG2 3.86Å; Y90-V142 HydrophobicContact CE2-CG2 4.02Å; Y90-V142 HydrophobicContact CG-CB 4.1Å; Y90-V142 HydrophobicContact CG-CG2 3.8Å; L92-V142 HydrophobicContact CD1-CG1 3.84Å; L92-V142 HydrophobicContact CD2-CB 4.44Å; L92-V142 HydrophobicContact CD2-CG1 4.18Å; I131-V142 HydrophobicContact CG2-CG1 3.84Å; R132-V142 WeakPolarHBondContact O-CA 3.33Å; V133-V142 HydrophobicContact CG2-CG1 4.43Å; V133-V142 HydrophobicContact CG2-CG2 4.46Å
143N97.8Very high94.7Very high95 Ų9562.4 Ų62.451%0.50839%0.393SS..EExtended strand (participates in β ladder)trans-131.5142.1177.6-168.95000110I131 R132I131-N143 CarbonylContact C-O 3.57Å; I131-N143 WeakPolarHBondContact CA-O 3.38Å; R132-N143 PolarHBondContact N-O 3.46Å; R132-N143 PolarHBondContact O-N 2.92Å
144C98.4Very high94.4Very high0 Ų066.5 Ų66.50%042%0.419CS..EExtended strand (participates in β ladder)trans-116.7143.8173.8-174.50000109.8L92 E94 R130 I131L92-C144 HydrophobicContact CB-CB 4.12Å; L92-C144 HydrophobicContact CD1-CB 3.72Å; L92-C144 HydrophobicContact CG-CB 4.46Å; E94-C144 HydrophobicContact CB-CB 4.07Å; E94-C144 HydrophobicContact CG-CB 4.21Å; E94-C144 WeakPolarHBondContact OE2-CB 3.39Å; R130-C144 CarbonylContact O-C 3.57Å; R130-C144 WeakPolarHBondContact O-CA 3.28Å; I131-C144 HydrophobicContact CG1-CB 4.4Å
145T98.2Very high94.2Very high41 Ų4168 Ų6825%0.25243%0.431SS..EExtended strand (participates in β ladder)trans-135.3134.8169.255.20000109R130R130-T145 PolarHBondContact N-O 3.26Å; R130-T145 PolarHBondContact NE-OG1 3.32Å; R130-T145 VanDerWaalsContact NE-OG1 3.08Å; R130-T145 PolarHBondContact NH2-OG1 2.91Å; R130-T145 PolarHBondContact O-N 2.99Å
146V97.4Very high94.1Very high73 Ų7372.7 Ų72.744%0.44246%0.461SS..EExtended strand (participates in β ladder)trans-78.6125.9169-168.10000108.2E94 Y129E94-V146 HydrophobicContact CB-CG2 4.07Å; E94-V146 HydrophobicContact CG-CG2 4.38Å; Y129-V146 HydrophobicContact CD1-CG2 3.88Å; Y129-V146 HydrophobicContact CE1-CG2 3.8Å
147L96.8Very high94.2Very high44 Ų4475.3 Ų75.323%0.2348%0.478CS..EExtended strand (participates in β ladder)trans-95153.8177.1-60.9-176.5000110.7Y112 L128 R130Y112-L147 HydrophobicContact CD1-CD1 4.14Å; Y112-L147 HydrophobicContact CE1-CD1 3.93Å; L128-L147 HydrophobicContact CB-CB 4.16Å; L128-L147 HydrophobicContact CD2-CB 3.9Å; L128-L147 HydrophobicContact CD2-CD1 3.8Å; L128-L147 HydrophobicContact CD2-CG 4.43Å; L128-L147 HydrophobicContact CG-CB 3.96Å; L128-L147 HydrophobicContact CG-CD1 4.03Å; L128-L147 HydrophobicContact CG-CG 4.39Å; L128-L147 PolarHBondContact O-N 3.44Å; R130-L147 HydrophobicContact CB-CD1 3.88Å; R130-L147 HydrophobicContact CB-CD2 4.48Å; R130-L147 HydrophobicContact CB-CG 4.06Å
148P88.4Confident95Very high187 Ų18766.5 Ų66.5100%1.21444%0.439SS*.  trans-640175.2-15.329.5000113.5

Retrieved 148 of 148 residues in 273.9 ms (Link to these results)

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