A0A075B789_HUMAN Loading...

Golgi associated RAB2 interactor 5A

AlphaFold DB , UniProt , Accession A0A075B789, Species HUMAN (Homo sapiens, Human), Gene GARIN5A, Length 193 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
1M48Very low47Very low249 Ų249174.4 Ų174.4100%1.22788%0.878SS**  0123.70-63.8169.781.800107.7
2R46.4Very low45.9Very low241 Ų241166.1 Ų166.191%0.90987%0.869SS**  trans-92.8148.5176.1-69.5-163170.9-112.6-0.6109.9
3R50.5Low45.6Very low244 Ų244159.9 Ų159.992%0.92187%0.87SS**  trans147141.8150.1-82.4166.1-165.2-161.15.8108.7
4D45Very low45.2Very low146 Ų146155.3 Ų155.378%0.78186%0.864SS**  cis-160.4134.1-38.8-152.7-90.5000102.3G6D4-G6 PolarHBondContact O-N 3.49Å; D4-G6 VanDerWaalsContact O-N 3.12Å
5R54.9Low45.1Very low246 Ų246150.1 Ų150.193%0.92886%0.86SS**  trans-77.5100.3177.9-80-178.2-179.1144-0.8107.3
6G43.8Very low44.8Very low63 Ų63151.4 Ų151.465%0.64986%0.856SS**PPolyproline II helixtrans-53.8138.917500000112D4D4-G6 PolarHBondContact O-N 3.49Å; D4-G6 VanDerWaalsContact O-N 3.12Å
7P45.8Very low44.7Very low127 Ų127150.5 Ų150.583%0.82586%0.855SS**PPolyproline II helixtrans-65.2135.5178.8-17.129.3000112P9P7-P9 WeakPolarHBondContact O-CD 3.35Å
8K55.2Low44.3Very low199 Ų199150.5 Ų150.587%0.86585%0.846SS**PPolyproline II helixtrans-76.3119165.5-177.3174.3-176.2167.90108.4A10K8-A10 PolarHBondContact O-N 2.97Å
9P42.3Very low44.3Very low122 Ų122148.7 Ų148.779%0.79284%0.841SS**PPolyproline II helixtrans-76.5123.1170.423.1-19.3000109.2P7P7-P9 WeakPolarHBondContact O-CD 3.35Å
10A37.9Very low44.2Very low94 Ų94145.1 Ų145.178%0.77784%0.839SS**PPolyproline II helixtrans-76.4147.6173.100000110.9K8 G12K8-A10 PolarHBondContact O-N 2.97Å; A10-G12 PolarHBondContact O-N 3.46Å
11L47Very low43.8Very low187 Ų187141.3 Ų141.398%0.97983%0.831SS**  trans-42.5123.3162.8-158.375.7000111.5
12G33.8Very low43.4Very low75 Ų75138.1 Ų138.177%0.77382%0.815SS**  trans-168.6105.6173.600000109.7A10A10-G12 PolarHBondContact O-N 3.46Å
13G42.3Very low43Very low86 Ų86130.4 Ų130.489%0.88780%0.803SS**  trans-74.7153-17100000114.5
14A39.9Very low42.6Very low95 Ų95122.1 Ų122.179%0.78579%0.786SS**  trans-145.6121146.100000105.4E16A14-E16 PolarHBondContact O-N 2.89Å; A14-E16 VanDerWaalsContact O-N 3.17Å
15G44.2Very low42.6Very low78 Ų78119 Ų11980%0.80478%0.776SS**  trans-65.3114.1178.700000109.7
16E39.8Very low42.4Very low170 Ų170112.4 Ų112.479%0.79477%0.765SS**  trans-104.488.3148.3-64.2-165.4127.400105A14 E18A14-E16 PolarHBondContact O-N 2.89Å; A14-E16 VanDerWaalsContact O-N 3.17Å; E16-E18 PolarHBondContact O-N 3.32Å
17V43.4Very low42.6Very low137 Ų137116.1 Ų116.183%0.8378%0.775SS**  trans-62.582.9152.6-860000105.5P19V17-P19 WeakPolarHBondContact O-CD 3.44Å
18E36.4Very low43.2Very low150 Ų150112.5 Ų112.570%0.70176%0.761SS**  trans-45.1113.7160.2-79.9-70.6105.500105.8E16 G20E16-E18 PolarHBondContact O-N 3.32Å; E18-G20 VanDerWaalsContact C-N 3.28Å; E18-G20 PolarHBondContact O-N 3.21Å
19P44.9Very low43.8Very low116 Ų116114.4 Ų114.475%0.75376%0.763SS**  trans-61.8107.9166.4-8.924.5000103.3V17 G21V17-P19 WeakPolarHBondContact O-CD 3.44Å; P19-G21 PolarHBondContact O-N 2.86Å
20G41.6Very low45.1Very low77 Ų77110.8 Ų110.879%0.79474%0.739SS**  trans-59.771.1165.200000108.9E18 M22E18-G20 VanDerWaalsContact C-N 3.28Å; E18-G20 PolarHBondContact O-N 3.21Å; G20-M22 PolarHBondContact O-N 2.94Å; G20-M22 VanDerWaalsContact O-N 3.16Å
21G37.1Very low47.1Very low65 Ų65113.4 Ų113.467%0.6773%0.729SS**  trans-82.268.7161.600000105.9P19 A23P19-G21 PolarHBondContact O-N 2.86Å; G21-A23 PolarHBondContact O-N 3.09Å
22M38.7Very low48.9Very low182 Ų182108.3 Ų108.390%0.89770%0.697SS**  trans-64.476.2147.2-71.1162.8171.400104.9G20 A24G20-M22 PolarHBondContact O-N 2.94Å; G20-M22 VanDerWaalsContact O-N 3.16Å; M22-A24 VanDerWaalsContact C-N 3.26Å; M22-A24 PolarHBondContact O-N 3Å
23A37.8Very low51.4Low80 Ų80104.7 Ų104.766%0.66166%0.66SS**  trans-49.6110.9152.500000102.6G21 S25G21-A23 PolarHBondContact O-N 3.09Å; A23-S25 PolarHBondContact O-N 2.88Å
24A44Very low53.5Low69 Ų69102.8 Ų102.857%0.5763%0.628SS**  trans-61.584.8167.200000104.6M22 P26 L146M22-A24 VanDerWaalsContact C-N 3.26Å; M22-A24 PolarHBondContact O-N 3Å; A24-P26 WeakPolarHBondContact O-CD 3.47Å; A24-P26 VanDerWaalsContact O-N 3.12Å; A24-L146 HydrophobicContact CB-CD1 3.81Å
25S44.3Very low55.6Low80 Ų80105.3 Ų105.356%0.55962%0.617SS**  trans-49.7122.7156.5-56.80000103.3A23 T27A23-S25 PolarHBondContact O-N 2.88Å; S25-T27 PolarHBondContact O-N 2.92Å; S25-T27 PolarHBondContact O-OG1 2.88Å
26P49.5Very low57.5Low109 Ų109103.3 Ų103.371%0.70859%0.586SS**  trans-66.283.1176.626.5-31.1000106.6A24 G28A24-P26 WeakPolarHBondContact O-CD 3.47Å; A24-P26 VanDerWaalsContact O-N 3.12Å; P26-G28 PolarHBondContact O-N 3.1Å
27T48.8Very low59.6Low140 Ų14095.3 Ų95.386%0.85955%0.548SS*.  trans-78.51.9179.743.60000111.2S25S25-T27 PolarHBondContact O-N 2.92Å; S25-T27 PolarHBondContact O-OG1 2.88Å
28G59Low61.2Low51 Ų5192.4 Ų92.453%0.52653%0.526SS..SBendtrans-82.7141.9162.400000110.9P26P26-G28 PolarHBondContact O-N 3.1Å
29R67.4Low62.9Low239 Ų23989.3 Ų89.390%0.90252%0.521SS*.PPolyproline II helixtrans-52.7128.3171.1-68.6-177.4176.7-166.9-1.5109.2R31R29-R31 PolarHBondContact O-N 3.5Å
30P69.3Low64.2Low46 Ų4685 Ų8530%0.29950%0.498SS..PPolyproline II helixtrans-52.9131178.4-27.935000111.3Q34 R35P30-Q34 HydrophobicContact CB-CB 4.07Å; P30-R35 HydrophobicContact CB-CG 3.72Å; P30-R35 WeakPolarHBondContact O-CD 3.27Å; P30-R35 WeakPolarHBondContact O-CG 3.3Å; P30-R35 PolarHBondContact O-NE 3.1Å
31R80.6Confident65.7Low150 Ų15087.2 Ų87.257%0.56649%0.487SS*.  trans-74.5179179.6-70.6-96.3-159.495.72.1110.7R29 L33 Q34 R35 E52R29-R31 PolarHBondContact O-N 3.5Å; R31-L33 PolarHBondContact O-N 3.15Å; R31-Q34 VanDerWaalsContact N-OE1 3.12Å; R31-Q34 PolarHBondContact O-N 2.76Å; R31-R35 WeakPolarHBondContact O-CB 3.18Å; R31-R35 WeakPolarHBondContact O-CG 3.33Å; R31-R35 PolarHBondContact O-N 3.24Å; R31-E52 WeakPolarHBondContact CB-OE1 3.5Å; R31-E52 WeakPolarHBondContact CB-OE2 3.44Å
32R84.2Confident67.4Low79 Ų7985.9 Ų85.930%0.29846%0.463SS..Hα-helixtrans-65.2-42.6-164.1-163.3-174.5175.9-172.4-0.9111.3Y36 E52 E67 G95 L97R32-Y36 PolarHBondContact O-N 3.29Å; R32-Y36 VanDerWaalsContact O-N 3.11Å; R32-E52 PolarHBondContact N-OE1 3.28Å; R32-E52 PolarHBondContact N-OE2 2.74Å; R32-E67 IonicContact NH1-OE1 3.72Å; R32-G95 PolarHBondContact NH2-O 2.93Å; R32-L97 VanDerWaalsContact C-CD1 3.48Å; R32-L97 HydrophobicContact CB-CD1 3.95Å; R32-L97 HydrophobicContact CG-CD1 3.6Å; R32-L97 HydrophobicContact CG-CD2 4.46Å; R32-L97 HydrophobicContact CG-CG 3.86Å
33L87Confident68.9Low0 Ų081.3 Ų81.30%044%0.442CS..Hα-helixtrans-71.1-42.2176.2-179.761.4000111.2R31 R35 Y36 L37 E52 T69 L86 A88 L97R31-L33 PolarHBondContact O-N 3.15Å; L33-R35 VanDerWaalsContact C-N 3.33Å; L33-R35 PolarHBondContact O-N 3.41Å; L33-Y36 HydrophobicContact CD1-CD1 4.42Å; L33-Y36 WeakPolarHBondContact O-CB 3.23Å; L33-Y36 PolarHBondContact O-N 2.6Å; L33-Y36 VanDerWaalsContact O-N 3.17Å; L33-L37 HydrophobicContact CD1-CD1 4.31Å; L33-L37 HydrophobicContact CD1-CG 4.29Å; L33-L37 HydrophobicContact CG-CD1 4.09Å; L33-L37 VanDerWaalsContact O-CG 3.29Å; L33-L37 WeakPolarHBondContact O-CG 3.49Å; L33-L37 PolarHBondContact O-N 3.2Å; L33-E52 WeakPolarHBondContact CA-OE2 3.47Å; L33-E52 HydrophobicContact CB-CG 3.95Å; L33-E52 VanDerWaalsContact CB-OE2 3.28Å; L33-E52 WeakPolarHBondContact CB-OE2 3.49Å; L33-E52 PolarHBondContact N-OE1 2.82Å; L33-E52 PolarHBondContact N-OE2 2.82Å; L33-T69 HydrophobicContact CB-CG2 3.77Å; L33-T69 HydrophobicContact CD2-CG2 4.21Å; L33-L86 HydrophobicContact CD2-CB 4.3Å; L33-A88 HydrophobicContact CD1-CB 3.77Å; L33-L97 HydrophobicContact CB-CD1 4.1Å; L33-L97 HydrophobicContact CD1-CD1 4.43Å
34Q86.1Confident70.4Confident45 Ų4584 Ų8421%0.2144%0.441CS..Hα-helixtrans-60.3-41.8176.1-67.3174.5-20.800112.3P30 R31 L37 Q38 I50 E52P30-Q34 HydrophobicContact CB-CB 4.07Å; R31-Q34 VanDerWaalsContact N-OE1 3.12Å; R31-Q34 PolarHBondContact O-N 2.76Å; Q34-L37 PolarHBondContact O-N 3.36Å; Q34-Q38 WeakPolarHBondContact O-CB 3Å; Q34-Q38 WeakPolarHBondContact O-CG 3.46Å; Q34-Q38 PolarHBondContact O-N 3.17Å; Q34-I50 HydrophobicContact CG-CB 4.4Å; Q34-I50 PolarHBondContact NE2-O 2.83Å; Q34-E52 PolarHBondContact N-OE2 3.12Å
35R84.6Confident71.8Confident148 Ų14881.8 Ų81.856%0.55842%0.419SS*.Hα-helixtrans-61.8-43.7173.6-75.3-173.2-70.6156.30.3112P30 R31 L33 L37 Q38 S39P30-R35 HydrophobicContact CB-CG 3.72Å; P30-R35 WeakPolarHBondContact O-CD 3.27Å; P30-R35 WeakPolarHBondContact O-CG 3.3Å; P30-R35 PolarHBondContact O-NE 3.1Å; R31-R35 WeakPolarHBondContact O-CB 3.18Å; R31-R35 WeakPolarHBondContact O-CG 3.33Å; R31-R35 PolarHBondContact O-N 3.24Å; L33-R35 VanDerWaalsContact C-N 3.33Å; L33-R35 PolarHBondContact O-N 3.41Å; R35-L37 VanDerWaalsContact C-N 3.33Å; R35-L37 PolarHBondContact O-N 3.46Å; R35-Q38 PolarHBondContact O-N 2.94Å; R35-S39 PolarHBondContact O-N 3.33Å; R35-S39 PolarHBondContact O-OG 3.46Å; R35-S39 VanDerWaalsContact O-OG 3.04Å
36Y82.4Confident73.1Confident37 Ų3783.7 Ų83.715%0.14541%0.414CS..Hα-helixtrans-55.9-47.3176.3175-93.9000111.8R32 L33 Q38 S39 G40 F42 H96 L97 L99R32-Y36 PolarHBondContact O-N 3.29Å; R32-Y36 VanDerWaalsContact O-N 3.11Å; L33-Y36 HydrophobicContact CD1-CD1 4.42Å; L33-Y36 WeakPolarHBondContact O-CB 3.23Å; L33-Y36 PolarHBondContact O-N 2.6Å; L33-Y36 VanDerWaalsContact O-N 3.17Å; Y36-Q38 VanDerWaalsContact C-N 3.33Å; Y36-S39 PolarHBondContact O-N 3.28Å; Y36-S39 PolarHBondContact O-OG 3.47Å; Y36-G40 PolarHBondContact O-N 3.5Å; Y36-F42 AromaticContact CE1-CD2 3.92Å; Y36-F42 HydrophobicContact CE1-CD2 3.92Å; Y36-F42 AromaticContact CE1-CE2 3.93Å; Y36-F42 HydrophobicContact CE1-CE2 3.93Å; Y36-H96 AromaticContact CD2-CE1 2.98Å; Y36-H96 WeakPolarHBondContact CD2-CE1 3.18Å; Y36-H96 AromaticContact CD2-ND1 3.35Å; Y36-H96 VanDerWaalsContact CD2-ND1 3.35Å; Y36-H96 WeakPolarHBondContact CD2-ND1 3.34Å; Y36-H96 AromaticContact CD2-NE2 3.66Å; Y36-H96 AromaticContact CE2-CE1 3.22Å; Y36-H96 WeakPolarHBondContact CE2-CE1 3.48Å; Y36-H96 AromaticContact CE2-ND1 3.34Å; Y36-H96 VanDerWaalsContact CE2-ND1 3.34Å; Y36-H96 WeakPolarHBondContact CE2-ND1 3.35Å; Y36-L97 HydrophobicContact CD2-CB 3.85Å; Y36-L97 VanDerWaalsContact CD2-O 3.25Å; Y36-L97 WeakPolarHBondContact CD2-O 3.35Å; Y36-L97 WeakPolarHBondContact CE2-O 3.15Å; Y36-L97 HydrophobicContact CG-CB 4.07Å; Y36-L99 HydrophobicContact CE1-CB 4.18Å
37L84.5Confident74.2Confident1 Ų185.8 Ų85.81%0.00542%0.419CS..Hα-helixtrans-69.9-31.7179.4-59.6170.4000112L33 Q34 R35 F42 F45 I50 L86L33-L37 HydrophobicContact CD1-CD1 4.31Å; L33-L37 HydrophobicContact CD1-CG 4.29Å; L33-L37 HydrophobicContact CG-CD1 4.09Å; L33-L37 VanDerWaalsContact O-CG 3.29Å; L33-L37 WeakPolarHBondContact O-CG 3.49Å; L33-L37 PolarHBondContact O-N 3.2Å; Q34-L37 PolarHBondContact O-N 3.36Å; R35-L37 VanDerWaalsContact C-N 3.33Å; R35-L37 PolarHBondContact O-N 3.46Å; L37-F42 HydrophobicContact CD2-CB 3.67Å; L37-F42 HydrophobicContact CD2-CD2 4.06Å; L37-F42 HydrophobicContact CD2-CG 4.03Å; L37-F45 HydrophobicContact CB-CB 4.42Å; L37-F45 HydrophobicContact CD1-CB 4.12Å; L37-F45 HydrophobicContact CD2-CD2 4.12Å; L37-I50 HydrophobicContact CD1-CD1 3.35Å; L37-L86 HydrophobicContact CD1-CD1 3.72Å; L37-L86 HydrophobicContact CD2-CD1 4.48Å
38Q76.8Confident75.5Confident76 Ų7681.4 Ų81.436%0.35539%0.388SS..Hα-helixtrans-71-31.9174.3-74.4169.93.600113.7Q34 R35 Y36 R46Q34-Q38 WeakPolarHBondContact O-CB 3Å; Q34-Q38 WeakPolarHBondContact O-CG 3.46Å; Q34-Q38 PolarHBondContact O-N 3.17Å; R35-Q38 PolarHBondContact O-N 2.94Å; Y36-Q38 VanDerWaalsContact C-N 3.33Å; Q38-R46 HydrophobicContact CG-CG 4.09Å; Q38-R46 PolarHBondContact O-NE 3.3Å; Q38-R46 PolarHBondContact O-NH2 2.78Å
39S73.6Confident76.3Confident86 Ų8683.5 Ų83.560%0.60139%0.392SS*.Hα-helixtrans-95.5-8.7-179.858.50000114.3R35 Y36R35-S39 PolarHBondContact O-N 3.33Å; R35-S39 PolarHBondContact O-OG 3.46Å; R35-S39 VanDerWaalsContact O-OG 3.04Å; Y36-S39 PolarHBondContact O-N 3.28Å; Y36-S39 PolarHBondContact O-OG 3.47Å
40G71.2Confident77Confident26 Ų2672.8 Ų72.827%0.26835%0.353SS..SBendtrans-107.2-170.5-171.800000115.1Y36 F42Y36-G40 PolarHBondContact O-N 3.5Å; G40-F42 PolarHBondContact O-N 2.85Å
41E72.8Confident77.9Confident123 Ų12375 Ų7558%0.57536%0.358SS*.SBendtrans-70.1-2.8178.2-58.2-178.6146.100113.7D43E41-D43 VanDerWaalsContact C-N 3.33Å; E41-D43 PolarHBondContact O-N 2.78Å
42F73.8Confident78.3Confident37 Ų3769.1 Ų69.116%0.16234%0.337CS..  trans-101.339.5-178-53.4-76.2000111.8Y36 L37 G40 Q44 F45 L99 C102Y36-F42 AromaticContact CE1-CD2 3.92Å; Y36-F42 HydrophobicContact CE1-CD2 3.92Å; Y36-F42 AromaticContact CE1-CE2 3.93Å; Y36-F42 HydrophobicContact CE1-CE2 3.93Å; L37-F42 HydrophobicContact CD2-CB 3.67Å; L37-F42 HydrophobicContact CD2-CD2 4.06Å; L37-F42 HydrophobicContact CD2-CG 4.03Å; G40-F42 PolarHBondContact O-N 2.85Å; F42-Q44 PolarHBondContact O-N 3.06Å; F42-Q44 VanDerWaalsContact O-N 3.14Å; F42-F45 HydrophobicContact CB-CD2 3.79Å; F42-F45 HydrophobicContact CB-CE2 4.19Å; F42-F45 HydrophobicContact CD1-CE2 4.24Å; F42-F45 PolarHBondContact O-N 3.33Å; F42-L99 HydrophobicContact CE1-CD2 4.1Å; F42-L99 HydrophobicContact CE2-CD2 4.22Å; F42-L99 HydrophobicContact CZ-CD2 3.9Å; F42-C102 HydrophobicContact CE1-CB 4.1Å; F42-C102 HydrophobicContact CZ-CB 3.58Å
43D68.6Low78.7Confident86 Ų8668 Ų6846%0.4634%0.341SS..G310 helixtrans-58.6-24.3-178.164-10.3000113.7E41 F45 R46E41-D43 VanDerWaalsContact C-N 3.33Å; E41-D43 PolarHBondContact O-N 2.78Å; D43-F45 PolarHBondContact O-N 3.5Å; D43-R46 VanDerWaalsContact O-CB 3.22Å; D43-R46 WeakPolarHBondContact O-CB 3.43Å; D43-R46 WeakPolarHBondContact O-CD 3.28Å; D43-R46 WeakPolarHBondContact O-CG 3.13Å; D43-R46 PolarHBondContact O-N 3.47Å; D43-R46 VanDerWaalsContact O-N 3.07Å
44Q70.8Confident78.9Confident137 Ų13772.1 Ų72.164%0.6436%0.363SS*.G310 helixtrans-48.9-43.3168.9-66.5172.262.200111.1F42 R46 F48F42-Q44 PolarHBondContact O-N 3.06Å; F42-Q44 VanDerWaalsContact O-N 3.14Å; Q44-R46 PolarHBondContact O-N 2.91Å; Q44-F48 WeakPolarHBondContact O-CD2 3.24Å; Q44-F48 WeakPolarHBondContact O-CE2 3.37Å
45F73Confident79.2Confident22 Ų2274.9 Ų74.910%0.09637%0.374CS..G310 helixtrans-77.71.8-175.9-56.6-53.1000115.1L37 F42 D43 D47 F48 I50 L84 L86L37-F45 HydrophobicContact CB-CB 4.42Å; L37-F45 HydrophobicContact CD1-CB 4.12Å; L37-F45 HydrophobicContact CD2-CD2 4.12Å; F42-F45 HydrophobicContact CB-CD2 3.79Å; F42-F45 HydrophobicContact CB-CE2 4.19Å; F42-F45 HydrophobicContact CD1-CE2 4.24Å; F42-F45 PolarHBondContact O-N 3.33Å; D43-F45 PolarHBondContact O-N 3.5Å; F45-D47 VanDerWaalsContact C-N 3.32Å; F45-D47 PolarHBondContact O-N 3.46Å; F45-F48 HydrophobicContact CD1-CD2 4.34Å; F45-F48 PolarHBondContact O-N 2.89Å; F45-I50 HydrophobicContact CB-CD1 4.03Å; F45-L84 HydrophobicContact CD1-CD1 4.13Å; F45-L84 HydrophobicContact CE1-CD1 3.27Å; F45-L84 HydrophobicContact CZ-CD1 3.89Å; F45-L86 HydrophobicContact CD2-CD1 4.43Å; F45-L86 HydrophobicContact CE2-CD2 4.33Å
46R72.1Confident79.6Confident120 Ų12072 Ų7245%0.45337%0.373SS..G310 helixtrans-65-34.6-176.5-71.7175.7-175.7-174.99.4113.5Q38 D43 Q44Q38-R46 HydrophobicContact CG-CG 4.09Å; Q38-R46 PolarHBondContact O-NE 3.3Å; Q38-R46 PolarHBondContact O-NH2 2.78Å; D43-R46 VanDerWaalsContact O-CB 3.22Å; D43-R46 WeakPolarHBondContact O-CB 3.43Å; D43-R46 WeakPolarHBondContact O-CD 3.28Å; D43-R46 WeakPolarHBondContact O-CG 3.13Å; D43-R46 PolarHBondContact O-N 3.47Å; D43-R46 VanDerWaalsContact O-N 3.07Å; Q44-R46 PolarHBondContact O-N 2.91Å
47D71.4Confident80Confident152 Ų15276 Ų7681%0.81339%0.393SS*.G310 helixtrans-98.8-1.2-174.1-60-39.8000113F45F45-D47 VanDerWaalsContact C-N 3.32Å; F45-D47 PolarHBondContact O-N 3.46Å
48F75.5Confident80.5Confident48 Ų4880.3 Ų80.321%0.21142%0.419CS..SBendtrans-93.7140.4-178.3-65.4-86.2000111.6Q44 F45 I50 A74 S75Q44-F48 WeakPolarHBondContact O-CD2 3.24Å; Q44-F48 WeakPolarHBondContact O-CE2 3.37Å; F45-F48 HydrophobicContact CD1-CD2 4.34Å; F45-F48 PolarHBondContact O-N 2.89Å; F48-I50 PolarHBondContact O-N 2.75Å; F48-A74 WeakPolarHBondContact CD1-O 3.36Å; F48-A74 WeakPolarHBondContact CE1-O 3.45Å; F48-S75 VanDerWaalsContact CE1-O 3.3Å; F48-S75 WeakPolarHBondContact CE1-O 3.47Å; F48-S75 WeakPolarHBondContact CZ-O 3.28Å
49P76.6Confident81.3Confident95 Ų9579 Ų7962%0.61742%0.417SS*.  trans-67.5118.8169.727.4-31.9000109.7
50I83.3Confident82.4Confident15 Ų1586.9 Ų86.98%0.07743%0.433CS..  trans-115.4125.4178.4-51178.9000109.7Q34 L37 F45 F48 V72 A73Q34-I50 HydrophobicContact CG-CB 4.4Å; Q34-I50 PolarHBondContact NE2-O 2.83Å; L37-I50 HydrophobicContact CD1-CD1 3.35Å; F45-I50 HydrophobicContact CB-CD1 4.03Å; F48-I50 PolarHBondContact O-N 2.75Å; I50-V72 WeakPolarHBondContact CA-O 3.49Å; I50-A73 HydrophobicContact CG1-CB 4.03Å
51F86.7Confident83.5Confident93 Ų9392.6 Ų92.641%0.40846%0.457SS..EExtended strand (participates in β ladder)trans-86.5113.6169.1-73-78.1000110.7G71 V72 W142 P144F51-G71 CarbonylContact O-C 3.57Å; F51-G71 VanDerWaalsContact O-CA 3.24Å; F51-G71 WeakPolarHBondContact O-CA 3.38Å; F51-V72 HydrophobicContact CB-CB 4.35Å; F51-V72 PolarHBondContact N-O 3.31Å; F51-V72 PolarHBondContact O-N 3.04Å; F51-W142 HydrophobicContact CE2-CZ2 4.19Å; F51-P144 HydrophobicContact CE1-CB 4.4Å; F51-P144 HydrophobicContact CE2-CB 4Å; F51-P144 HydrophobicContact CZ-CB 3.38Å; F51-P144 HydrophobicContact CZ-CG 4.45Å
52E90.4Very high84.5Confident25 Ų2589.6 Ų89.612%0.11746%0.459CS..EExtended strand (participates in β ladder)trans-104.4129-179-173.2-179.1140.400111.3R31 R32 L33 Q34 T69 M70R31-E52 WeakPolarHBondContact CB-OE1 3.5Å; R31-E52 WeakPolarHBondContact CB-OE2 3.44Å; R32-E52 PolarHBondContact N-OE1 3.28Å; R32-E52 PolarHBondContact N-OE2 2.74Å; L33-E52 WeakPolarHBondContact CA-OE2 3.47Å; L33-E52 HydrophobicContact CB-CG 3.95Å; L33-E52 VanDerWaalsContact CB-OE2 3.28Å; L33-E52 WeakPolarHBondContact CB-OE2 3.49Å; L33-E52 PolarHBondContact N-OE1 2.82Å; L33-E52 PolarHBondContact N-OE2 2.82Å; Q34-E52 PolarHBondContact N-OE2 3.12Å; E52-T69 HydrophobicContact CG-CG2 3.4Å; E52-M70 WeakPolarHBondContact CA-O 3.31Å
53S90.9Very high85.5Confident55 Ų5593.4 Ų93.439%0.38548%0.477SS..EExtended strand (participates in β ladder)trans-137.1143.3172.5-174.80000111.3M70S53-M70 PolarHBondContact N-O 2.91Å; S53-M70 PolarHBondContact O-N 2.91Å
54N91.9Very high86.5Confident88 Ų8893.9 Ų93.947%0.47148%0.483SS..EExtended strand (participates in β ladder)trans-95.2137.5175.4-63.4-43.3000110.2T69N54-T69 WeakPolarHBondContact OD1-CG2 3.11Å; N54-T69 PolarHBondContact OD1-OG1 2.77Å
55F92.4Very high87.3Confident102 Ų10290.1 Ų90.145%0.44748%0.475SS..EExtended strand (participates in β ladder)trans-124.4136.1176.4-68.7-87.2000109.2V68 M70F55-V68 PolarHBondContact N-O 3.25Å; F55-V68 PolarHBondContact O-N 3.2Å; F55-M70 HydrophobicContact CD2-CB 3.79Å; F55-M70 HydrophobicContact CD2-SD 4.41Å; F55-M70 HydrophobicContact CE2-CB 3.7Å; F55-M70 HydrophobicContact CE2-CE 3.56Å; F55-M70 HydrophobicContact CE2-CG 4.38Å; F55-M70 HydrophobicContact CE2-SD 3.85Å; F55-M70 HydrophobicContact CZ-CE 3.81Å; F55-M70 HydrophobicContact CZ-SD 4.41Å
56V92.7Very high88Confident87 Ų8792.1 Ų92.153%0.52749%0.487SS..EExtended strand (participates in β ladder)trans-117.8131.5172.7-680000108.7V64 N66 E67V56-V64 HydrophobicContact CB-CG1 4.26Å; V56-V64 HydrophobicContact CG1-CG1 4.34Å; V56-N66 CarbonylContact C-O 3.58Å; V56-N66 WeakPolarHBondContact CA-O 3.42Å; V56-E67 HydrophobicContact CG1-CB 4.45Å; V56-E67 HydrophobicContact CG1-CG 4.18Å
57Q91.6Very high88.9Confident121 Ų12190 Ų9057%0.56548%0.482SS*.EExtended strand (participates in β ladder)trans-86.8128.9168.1-176.2178.1-21.500108.2V64 A65 N66Q57-V64 CarbonylContact O-C 3.5Å; Q57-V64 WeakPolarHBondContact O-CA 3.31Å; Q57-A65 HydrophobicContact CB-CB 4.44Å; Q57-A65 HydrophobicContact CG-CB 4.27Å; Q57-A65 PolarHBondContact O-N 3.2Å; Q57-N66 HydrophobicContact CB-CB 4Å; Q57-N66 PolarHBondContact N-O 3.47Å
58V94.9Very high89.8Confident92 Ų9283.8 Ų83.856%0.55845%0.45SS*.EExtended strand (participates in β ladder)trans-109140176.6-66.30000111.1E63V58-E63 CarbonylContact C-O 3.54Å; V58-E63 VanDerWaalsContact CA-O 3.23Å; V58-E63 WeakPolarHBondContact CA-O 3.39Å
59T94.3Very high90.5Very high49 Ų4981.6 Ų81.630%0.30144%0.44SS..  trans-75.6167.6173.773.10000110.3L61 G62 E63 A65T59-L61 PolarHBondContact O-N 2.65Å; T59-L61 VanDerWaalsContact O-N 3.15Å; T59-L61 PolarHBondContact OG1-N 2.9Å; T59-G62 PolarHBondContact O-N 2.66Å; T59-E63 HydrophobicContact CG2-CB 4.22Å; T59-E63 PolarHBondContact N-O 3.04Å; T59-E63 WeakPolarHBondContact OG1-CB 3.45Å; T59-E63 PolarHBondContact OG1-N 2.93Å; T59-E63 VanDerWaalsContact OG1-N 3.17Å; T59-A65 HydrophobicContact CG2-CB 3.82Å
60R95.2Very high91.3Very high251 Ų25179.5 Ų79.595%0.94742%0.423SS*.THydrogen-bonded Turntrans-61-20.6172.4-65.7179.965.1-135.9-0.5113.1G62R60-G62 VanDerWaalsContact C-N 3.29Å
61L94.4Very high91.6Very high146 Ų14678.8 Ų78.876%0.76442%0.419SS*.THydrogen-bonded Turntrans-85.5-3.5176.1-56.5179.3000112.3T59 E63T59-L61 PolarHBondContact O-N 2.65Å; T59-L61 VanDerWaalsContact O-N 3.15Å; T59-L61 PolarHBondContact OG1-N 2.9Å; L61-E63 HydrophobicContact CB-CG 4.31Å
62G93.8Very high91.8Very high60 Ų6076.1 Ų76.162%0.61941%0.411SS*.SBendtrans85.69.1-178.300000114.4T59 R60T59-G62 PolarHBondContact O-N 2.66Å; R60-G62 VanDerWaalsContact C-N 3.29Å
63E94.3Very high91.7Very high118 Ų11875 Ų7555%0.55141%0.406SS*.  trans-84.7148.7179.7-57.2167.5146.100110.9V58 T59 L61 A65V58-E63 CarbonylContact C-O 3.54Å; V58-E63 VanDerWaalsContact CA-O 3.23Å; V58-E63 WeakPolarHBondContact CA-O 3.39Å; T59-E63 HydrophobicContact CG2-CB 4.22Å; T59-E63 PolarHBondContact N-O 3.04Å; T59-E63 WeakPolarHBondContact OG1-CB 3.45Å; T59-E63 PolarHBondContact OG1-N 2.93Å; T59-E63 VanDerWaalsContact OG1-N 3.17Å; L61-E63 HydrophobicContact CB-CG 4.31Å; E63-A65 PolarHBondContact O-N 3.29Å
64V89.6Confident91.5Very high95 Ų9573.2 Ų73.258%0.57639%0.394SS*.EExtended strand (participates in β ladder)trans-77.3116.3173.2179.20000109.3V56 Q57V56-V64 HydrophobicContact CB-CG1 4.26Å; V56-V64 HydrophobicContact CG1-CG1 4.34Å; Q57-V64 CarbonylContact O-C 3.5Å; Q57-V64 WeakPolarHBondContact O-CA 3.31Å
65A88.3Confident91Very high58 Ų5871.6 Ų71.648%0.47939%0.39SS..EExtended strand (participates in β ladder)trans-89.7-34.3178.500000112.7Q57 T59 E63Q57-A65 HydrophobicContact CB-CB 4.44Å; Q57-A65 HydrophobicContact CG-CB 4.27Å; Q57-A65 PolarHBondContact O-N 3.2Å; T59-A65 HydrophobicContact CG2-CB 3.82Å; E63-A65 PolarHBondContact O-N 3.29Å
66N87.9Confident90.3Very high64 Ų6468.8 Ų68.834%0.34238%0.383SS..EExtended strand (participates in β ladder)trans-154.2148.5-176.9-168.326.4000110.7V56 Q57 V68V56-N66 CarbonylContact C-O 3.58Å; V56-N66 WeakPolarHBondContact CA-O 3.42Å; Q57-N66 HydrophobicContact CB-CB 4Å; Q57-N66 PolarHBondContact N-O 3.47Å; N66-V68 VanDerWaalsContact ND2-CG2 3.28Å; N66-V68 WeakPolarHBondContact ND2-CG2 3.23Å
67E90.1Very high89.2Confident76 Ų7670.5 Ų70.536%0.35540%0.396SS..EExtended strand (participates in β ladder)trans-124.3126.9172.8-173.8-174.8150.600108.6R32 V56 P90R32-E67 IonicContact NH1-OE1 3.72Å; V56-E67 HydrophobicContact CG1-CB 4.45Å; V56-E67 HydrophobicContact CG1-CG 4.18Å; E67-P90 WeakPolarHBondContact O-CD 3.15Å
68V90.6Very high88.6Confident21 Ų2168.8 Ų68.813%0.12740%0.402CS..EExtended strand (participates in β ladder)trans-134.7130.6-179.1178.10000109.4F55 N66 L87 A88 F100F55-V68 PolarHBondContact N-O 3.25Å; F55-V68 PolarHBondContact O-N 3.2Å; N66-V68 VanDerWaalsContact ND2-CG2 3.28Å; N66-V68 WeakPolarHBondContact ND2-CG2 3.23Å; V68-L87 HydrophobicContact CG1-CB 4.23Å; V68-L87 HydrophobicContact CG1-CD2 3.92Å; V68-A88 CarbonylContact C-O 3.51Å; V68-A88 WeakPolarHBondContact CA-O 3.35Å; V68-F100 HydrophobicContact CB-CE2 4.47Å; V68-F100 HydrophobicContact CG1-CD2 4.47Å; V68-F100 HydrophobicContact CG1-CE2 3.96Å; V68-F100 HydrophobicContact CG2-CE2 3.85Å; V68-F100 HydrophobicContact CG2-CZ 4.24Å
69T91.1Very high87.5Confident2 Ų268 Ų681%0.01239%0.394CS..EExtended strand (participates in β ladder)trans-91.9123.8166.3-56.10000109L33 E52 N54 A88L33-T69 HydrophobicContact CB-CG2 3.77Å; L33-T69 HydrophobicContact CD2-CG2 4.21Å; E52-T69 HydrophobicContact CG-CG2 3.4Å; N54-T69 WeakPolarHBondContact OD1-CG2 3.11Å; N54-T69 PolarHBondContact OD1-OG1 2.77Å; T69-A88 PolarHBondContact N-O 2.98Å; T69-A88 PolarHBondContact O-N 3.37Å
70M92.2Very high86.5Confident51 Ų5169.3 Ų69.325%0.25140%0.397SS..EExtended strand (participates in β ladder)trans-104.6133.1177.1-172.1174.58800110.1E52 S53 F55 V72 L85 L86 L87E52-M70 WeakPolarHBondContact CA-O 3.31Å; S53-M70 PolarHBondContact N-O 2.91Å; S53-M70 PolarHBondContact O-N 2.91Å; F55-M70 HydrophobicContact CD2-CB 3.79Å; F55-M70 HydrophobicContact CD2-SD 4.41Å; F55-M70 HydrophobicContact CE2-CB 3.7Å; F55-M70 HydrophobicContact CE2-CE 3.56Å; F55-M70 HydrophobicContact CE2-CG 4.38Å; F55-M70 HydrophobicContact CE2-SD 3.85Å; F55-M70 HydrophobicContact CZ-CE 3.81Å; F55-M70 HydrophobicContact CZ-SD 4.41Å; M70-V72 HydrophobicContact CE-CG2 4.36Å; M70-L85 HydrophobicContact CE-CD1 4.33Å; M70-L85 HydrophobicContact CG-CD1 3.52Å; M70-L85 HydrophobicContact CG-CG 4.38Å; M70-L85 HydrophobicContact SD-CD1 3.73Å; M70-L86 CarbonylContact C-O 3.48Å; M70-L86 VanDerWaalsContact CA-O 3.31Å; M70-L86 WeakPolarHBondContact CA-O 3.46Å; M70-L87 HydrophobicContact CB-CD2 3.95Å; M70-L87 HydrophobicContact CG-CD2 3.71Å; M70-L87 HydrophobicContact SD-CD2 4.27Å
71G91.1Very high86Confident0 Ų062.8 Ų62.80%038%0.381CS..EExtended strand (participates in β ladder)trans-116.6134.1174.700000110.9F51 L85 L86F51-G71 CarbonylContact O-C 3.57Å; F51-G71 VanDerWaalsContact O-CA 3.24Å; F51-G71 WeakPolarHBondContact O-CA 3.38Å; G71-L85 CarbonylContact O-C 3.45Å; G71-L85 WeakPolarHBondContact O-CA 2.86Å; G71-L86 PolarHBondContact N-O 2.8Å; G71-L86 PolarHBondContact O-N 3.26Å
72V90.8Very high85.5Confident38 Ų3858.1 Ų58.123%0.2336%0.359CS..EExtended strand (participates in β ladder)trans-116.2126.5171.8179.10000108.7I50 F51 M70 P82 L84 L85I50-V72 WeakPolarHBondContact CA-O 3.49Å; F51-V72 HydrophobicContact CB-CB 4.35Å; F51-V72 PolarHBondContact N-O 3.31Å; F51-V72 PolarHBondContact O-N 3.04Å; M70-V72 HydrophobicContact CE-CG2 4.36Å; V72-P82 HydrophobicContact CG1-CB 3.29Å; V72-P82 HydrophobicContact CG1-CG 3.47Å; V72-P82 VanDerWaalsContact CG1-CG 3.47Å; V72-L84 WeakPolarHBondContact CA-O 3.26Å; V72-L85 HydrophobicContact CG2-CD1 3.69Å
73A87.7Confident85.2Confident2 Ų258 Ų582%0.01734%0.344CS..EExtended strand (participates in β ladder)trans-142.4161.4-176.200000111.5I50 P82 D83 L84I50-A73 HydrophobicContact CG1-CB 4.03Å; A73-P82 WeakPolarHBondContact O-CA 3.26Å; A73-P82 VanDerWaalsContact O-CB 3.26Å; A73-P82 WeakPolarHBondContact O-CB 3.45Å; A73-D83 PolarHBondContact O-N 3.34Å; A73-L84 HydrophobicContact CB-CB 4.3Å; A73-L84 PolarHBondContact N-O 2.99Å; A73-L84 WeakPolarHBondContact O-CB 3.33Å; A73-L84 PolarHBondContact O-N 2.85Å
74A86.1Confident84.8Confident17 Ų1752.9 Ų52.914%0.1432%0.32CS..  trans-98134.7165.400000108.9F48 S76 L79 D83F48-A74 WeakPolarHBondContact CD1-O 3.36Å; F48-A74 WeakPolarHBondContact CE1-O 3.45Å; A74-S76 PolarHBondContact O-N 3.33Å; A74-L79 HydrophobicContact CB-CB 4.29Å; A74-D83 WeakPolarHBondContact CA-OD1 3.39Å
75S82.2Confident84.9Confident54 Ų5453.1 Ų53.138%0.37832%0.318SS..SBendtrans-69.9-19.3176.466.90000113.2F48 L79 D83F48-S75 VanDerWaalsContact CE1-O 3.3Å; F48-S75 WeakPolarHBondContact CE1-O 3.47Å; F48-S75 WeakPolarHBondContact CZ-O 3.28Å; S75-L79 WeakPolarHBondContact OG-CD1 3.41Å; S75-D83 WeakPolarHBondContact CB-OD2 2.88Å; S75-D83 PolarHBondContact N-OD1 3.39Å; S75-D83 PolarHBondContact OG-OD1 3.39Å; S75-D83 PolarHBondContact OG-OD2 3.29Å
76S76.8Confident85Confident42 Ų4250.6 Ų50.629%0.29430%0.297SS..SBendtrans-142.4139.2179.7172.30000109.9A74 A78 L79A74-S76 PolarHBondContact O-N 3.33Å; S76-A78 PolarHBondContact O-N 3.43Å; S76-A78 VanDerWaalsContact O-N 3.11Å; S76-A78 WeakPolarHBondContact OG-CB 3.48Å; S76-A78 PolarHBondContact OG-N 3.11Å; S76-L79 WeakPolarHBondContact O-CB 3.2Å; S76-L79 PolarHBondContact O-N 2.88Å
77P69.5Low85.1Confident124 Ų12450.9 Ų50.981%0.80530%0.298SS*.THydrogen-bonded Turntrans-64.6-12.8173.829.4-35.6000112.7L79P77-L79 VanDerWaalsContact C-N 3.29Å
78A79.6Confident85.1Confident85 Ų8547.3 Ų47.370%0.70228%0.281SS*.THydrogen-bonded Turntrans-78.5-11.4174.500000113.4S76S76-A78 PolarHBondContact O-N 3.43Å; S76-A78 VanDerWaalsContact O-N 3.11Å; S76-A78 WeakPolarHBondContact OG-CB 3.48Å; S76-A78 PolarHBondContact OG-N 3.11Å
79L73Confident85Confident74 Ų7446.4 Ų46.439%0.38728%0.276SS..  trans-84.9126.5-179.3-65.4173.5000111A74 S75 S76 P77 L81 D83A74-L79 HydrophobicContact CB-CB 4.29Å; S75-L79 WeakPolarHBondContact OG-CD1 3.41Å; S76-L79 WeakPolarHBondContact O-CB 3.2Å; S76-L79 PolarHBondContact O-N 2.88Å; P77-L79 VanDerWaalsContact C-N 3.29Å; L79-L81 PolarHBondContact O-N 2.77Å; L79-D83 HydrophobicContact CD1-CB 4.2Å; L79-D83 WeakPolarHBondContact CD1-OD1 3.29Å; L79-D83 WeakPolarHBondContact CD1-OD2 3.34Å
80E73.2Confident84.7Confident77 Ų7749.4 Ų49.436%0.3630%0.295SS..SBendtrans-79.5-0.5175.4-59.3-175.9138.900112.6P139 K140 A141 W142E80-P139 VanDerWaalsContact OE2-C 3.26Å; E80-K140 VanDerWaalsContact OE1-C 3.28Å; E80-A141 PolarHBondContact OE1-N 3.48Å; E80-W142 WeakPolarHBondContact O-CB 3.3Å
81L83.3Confident84.2Confident115 Ų11547.8 Ų47.860%0.60229%0.29SS*.SBendtrans-144148.5174.8-71.2176000108.8L79 D83 W142L79-L81 PolarHBondContact O-N 2.77Å; L81-D83 PolarHBondContact O-N 2.82Å; L81-W142 HydrophobicContact CD2-CE3 3.88Å; L81-W142 HydrophobicContact CD2-CZ3 4.26Å
82P85.4Confident83.3Confident47 Ų4758.2 Ų58.231%0.30534%0.336SS..  trans-65.5134.3172.328.3-33.4000110.4V72 A73V72-P82 HydrophobicContact CG1-CB 3.29Å; V72-P82 HydrophobicContact CG1-CG 3.47Å; V72-P82 VanDerWaalsContact CG1-CG 3.47Å; A73-P82 WeakPolarHBondContact O-CA 3.26Å; A73-P82 VanDerWaalsContact O-CB 3.26Å; A73-P82 WeakPolarHBondContact O-CB 3.45Å
83D86.1Confident82.1Confident58 Ų5864.8 Ų64.831%0.3136%0.364SS..  trans-116.5-5.2178.364-29.9000112.2A73 A74 S75 L79 L81A73-D83 PolarHBondContact O-N 3.34Å; A74-D83 WeakPolarHBondContact CA-OD1 3.39Å; S75-D83 WeakPolarHBondContact CB-OD2 2.88Å; S75-D83 PolarHBondContact N-OD1 3.39Å; S75-D83 PolarHBondContact OG-OD1 3.39Å; S75-D83 PolarHBondContact OG-OD2 3.29Å; L79-D83 HydrophobicContact CD1-CB 4.2Å; L79-D83 WeakPolarHBondContact CD1-OD1 3.29Å; L79-D83 WeakPolarHBondContact CD1-OD2 3.34Å; L81-D83 PolarHBondContact O-N 2.82Å
84L87.1Confident80.8Confident10 Ų1069.7 Ų69.75%0.05239%0.39CS..EExtended strand (participates in β ladder)trans-111.7131.3178.9-56.1179.9000111.5F45 V72 A73 L129F45-L84 HydrophobicContact CD1-CD1 4.13Å; F45-L84 HydrophobicContact CE1-CD1 3.27Å; F45-L84 HydrophobicContact CZ-CD1 3.89Å; V72-L84 WeakPolarHBondContact CA-O 3.26Å; A73-L84 HydrophobicContact CB-CB 4.3Å; A73-L84 PolarHBondContact N-O 2.99Å; A73-L84 WeakPolarHBondContact O-CB 3.33Å; A73-L84 PolarHBondContact O-N 2.85Å; L84-L129 HydrophobicContact CD2-CD1 3.99Å; L84-L129 HydrophobicContact CD2-CD2 3.35Å; L84-L129 HydrophobicContact CD2-CG 4.32Å
85L91.1Very high79.9Confident101 Ų10171.3 Ų71.353%0.52941%0.408SS..EExtended strand (participates in β ladder)trans-119.3116168.8-173.568.9000109M70 G71 V72M70-L85 HydrophobicContact CE-CD1 4.33Å; M70-L85 HydrophobicContact CG-CD1 3.52Å; M70-L85 HydrophobicContact CG-CG 4.38Å; M70-L85 HydrophobicContact SD-CD1 3.73Å; G71-L85 CarbonylContact O-C 3.45Å; G71-L85 WeakPolarHBondContact O-CA 2.86Å; V72-L85 HydrophobicContact CG2-CD1 3.69Å
86L89.4Confident79.6Confident5 Ų572.5 Ų72.53%0.02641%0.407CS..EExtended strand (participates in β ladder)trans-101.4132.4177.9-62.4172.8000108.7L33 L37 F45 M70 G71 L99L33-L86 HydrophobicContact CD2-CB 4.3Å; L37-L86 HydrophobicContact CD1-CD1 3.72Å; L37-L86 HydrophobicContact CD2-CD1 4.48Å; F45-L86 HydrophobicContact CD2-CD1 4.43Å; F45-L86 HydrophobicContact CE2-CD2 4.33Å; M70-L86 CarbonylContact C-O 3.48Å; M70-L86 VanDerWaalsContact CA-O 3.31Å; M70-L86 WeakPolarHBondContact CA-O 3.46Å; G71-L86 PolarHBondContact N-O 2.8Å; G71-L86 PolarHBondContact O-N 3.26Å; L86-L99 HydrophobicContact CB-CD1 3.91Å; L86-L99 HydrophobicContact CD2-CD1 4.07Å; L86-L99 HydrophobicContact CD2-CD2 4.04Å
87L91.3Very high79.9Confident70 Ų7070.7 Ų70.737%0.36640%0.395SS..EExtended strand (participates in β ladder)trans-122.5126173.6-65.3171.3000108V68 M70 L99 F100V68-L87 HydrophobicContact CG1-CB 4.23Å; V68-L87 HydrophobicContact CG1-CD2 3.92Å; M70-L87 HydrophobicContact CB-CD2 3.95Å; M70-L87 HydrophobicContact CG-CD2 3.71Å; M70-L87 HydrophobicContact SD-CD2 4.27Å; L87-L99 CarbonylContact O-C 3.56Å; L87-L99 WeakPolarHBondContact O-CA 3.46Å; L87-L99 VanDerWaalsContact O-CD1 3.26Å; L87-L99 WeakPolarHBondContact O-CD1 3.34Å; L87-F100 HydrophobicContact CB-CB 4.34Å; L87-F100 HydrophobicContact CB-CD2 3.75Å; L87-F100 VanDerWaalsContact O-CD2 3.31Å; L87-F100 WeakPolarHBondContact O-CD2 3.39Å; L87-F100 PolarHBondContact O-N 2.64Å
88A89.8Confident80.6Confident0 Ų069.6 Ų69.60%038%0.378CS..EExtended strand (participates in β ladder)trans-129.8136.8176.900000111.5L33 V68 T69 L97 Q98 L99 F100L33-A88 HydrophobicContact CD1-CB 3.77Å; V68-A88 CarbonylContact C-O 3.51Å; V68-A88 WeakPolarHBondContact CA-O 3.35Å; T69-A88 PolarHBondContact N-O 2.98Å; T69-A88 PolarHBondContact O-N 3.37Å; A88-L97 HydrophobicContact CB-CB 4.16Å; A88-L97 HydrophobicContact CB-CD1 4.34Å; A88-L97 HydrophobicContact CB-CD2 4.43Å; A88-Q98 CarbonylContact C-O 3.51Å; A88-Q98 WeakPolarHBondContact CA-O 3.25Å; A88-L99 HydrophobicContact CB-CD1 4.27Å; A88-F100 VanDerWaalsContact C-CE2 3.45Å
89G89.4Confident80.9Confident2 Ų265.8 Ų65.82%0.02135%0.346CS..EExtended strand (participates in β ladder)trans-112.6171.2176.100000111.7A91 L97 Q98G89-A91 PolarHBondContact O-N 3.46Å; G89-L97 CarbonylContact O-C 3.59Å; G89-L97 WeakPolarHBondContact O-CA 3.17Å; G89-Q98 PolarHBondContact N-O 3.4Å; G89-Q98 PolarHBondContact O-N 2.79Å
90P83.8Confident81.3Confident66 Ų6667 Ų6743%0.42935%0.348SS..EExtended strand (participates in β ladder)trans-63128168.826.9-32.6000110.4E67E67-P90 WeakPolarHBondContact O-CD 3.15Å
91A80.9Confident81.1Confident17 Ų1766.1 Ų66.114%0.1436%0.361CS..  trans-72.2144.2173.800000110.5G89 E93 H96 Q98G89-A91 PolarHBondContact O-N 3.46Å; A91-E93 PolarHBondContact O-N 2.85Å; A91-H96 HydrophobicContact CB-CB 4.42Å; A91-H96 VanDerWaalsContact CB-O 3.23Å; A91-H96 WeakPolarHBondContact CB-O 2.98Å; A91-H96 PolarHBondContact N-O 3.09Å; A91-Q98 HydrophobicContact CB-CB 4.11Å
92K72Confident79.8Confident219 Ų21962.2 Ų62.295%0.95234%0.342SS*.THydrogen-bonded Turntrans-67.1-20.4-176.8-68.4-176.1176.91800114.4
93E65.7Low77.9Confident176 Ų17662.8 Ų62.882%0.82236%0.357SS*.THydrogen-bonded Turntrans-105.2-31-163178.1177.8149.400114.4A91A91-E93 PolarHBondContact O-N 2.85Å
94N62.3Low75.8Confident105 Ų10565.7 Ų65.756%0.56138%0.379SS*.THydrogen-bonded Turntrans-150.112.3-162.553.311.8000114.6H96N94-H96 PolarHBondContact O-N 2.84Å; N94-H96 WeakPolarHBondContact OD1-CB 3.22Å; N94-H96 PolarHBondContact OD1-N 3.3Å
95G66.6Low73.7Confident51 Ų5171.6 Ų71.653%0.52641%0.406SS..SBendtrans64.46.2-177.600000114R32R32-G95 PolarHBondContact NH2-O 2.93Å
96H76.4Confident71Confident78 Ų7871.9 Ų71.936%0.36142%0.417SS..  trans-72.5166.8173.8-161.5-121.4000110.3Y36 A91 N94Y36-H96 AromaticContact CD2-CE1 2.98Å; Y36-H96 WeakPolarHBondContact CD2-CE1 3.18Å; Y36-H96 AromaticContact CD2-ND1 3.35Å; Y36-H96 VanDerWaalsContact CD2-ND1 3.35Å; Y36-H96 WeakPolarHBondContact CD2-ND1 3.34Å; Y36-H96 AromaticContact CD2-NE2 3.66Å; Y36-H96 AromaticContact CE2-CE1 3.22Å; Y36-H96 WeakPolarHBondContact CE2-CE1 3.48Å; Y36-H96 AromaticContact CE2-ND1 3.34Å; Y36-H96 VanDerWaalsContact CE2-ND1 3.34Å; Y36-H96 WeakPolarHBondContact CE2-ND1 3.35Å; A91-H96 HydrophobicContact CB-CB 4.42Å; A91-H96 VanDerWaalsContact CB-O 3.23Å; A91-H96 WeakPolarHBondContact CB-O 2.98Å; A91-H96 PolarHBondContact N-O 3.09Å; N94-H96 PolarHBondContact O-N 2.84Å; N94-H96 WeakPolarHBondContact OD1-CB 3.22Å; N94-H96 PolarHBondContact OD1-N 3.3Å
97L81.9Confident68.4Low5 Ų582.6 Ų82.63%0.02646%0.457CS..EExtended strand (participates in β ladder)trans-80.1151.6168.7-71.4179000109.7R32 L33 Y36 A88 G89R32-L97 VanDerWaalsContact C-CD1 3.48Å; R32-L97 HydrophobicContact CB-CD1 3.95Å; R32-L97 HydrophobicContact CG-CD1 3.6Å; R32-L97 HydrophobicContact CG-CD2 4.46Å; R32-L97 HydrophobicContact CG-CG 3.86Å; L33-L97 HydrophobicContact CB-CD1 4.1Å; L33-L97 HydrophobicContact CD1-CD1 4.43Å; Y36-L97 HydrophobicContact CD2-CB 3.85Å; Y36-L97 VanDerWaalsContact CD2-O 3.25Å; Y36-L97 WeakPolarHBondContact CD2-O 3.35Å; Y36-L97 WeakPolarHBondContact CE2-O 3.15Å; Y36-L97 HydrophobicContact CG-CB 4.07Å; A88-L97 HydrophobicContact CB-CB 4.16Å; A88-L97 HydrophobicContact CB-CD1 4.34Å; A88-L97 HydrophobicContact CB-CD2 4.43Å; G89-L97 CarbonylContact O-C 3.59Å; G89-L97 WeakPolarHBondContact O-CA 3.17Å
98Q85.3Confident65.9Low100 Ų10084.3 Ų84.347%0.46747%0.472SS..EExtended strand (participates in β ladder)trans-128.9125.1168.7174.3171.77900108.2A88 G89 A91 F100A88-Q98 CarbonylContact C-O 3.51Å; A88-Q98 WeakPolarHBondContact CA-O 3.25Å; G89-Q98 PolarHBondContact N-O 3.4Å; G89-Q98 PolarHBondContact O-N 2.79Å; A91-Q98 HydrophobicContact CB-CB 4.11Å; Q98-F100 PolarHBondContact O-N 3.16Å
99L85.7Confident63.2Low6 Ų693.4 Ų93.43%0.03152%0.515CS..EExtended strand (participates in β ladder)trans-71.8126.9176-162.972.3000109.6Y36 F42 L86 L87 A88 C102Y36-L99 HydrophobicContact CE1-CB 4.18Å; F42-L99 HydrophobicContact CE1-CD2 4.1Å; F42-L99 HydrophobicContact CE2-CD2 4.22Å; F42-L99 HydrophobicContact CZ-CD2 3.9Å; L86-L99 HydrophobicContact CB-CD1 3.91Å; L86-L99 HydrophobicContact CD2-CD1 4.07Å; L86-L99 HydrophobicContact CD2-CD2 4.04Å; L87-L99 CarbonylContact O-C 3.56Å; L87-L99 WeakPolarHBondContact O-CA 3.46Å; L87-L99 VanDerWaalsContact O-CD1 3.26Å; L87-L99 WeakPolarHBondContact O-CD1 3.34Å; A88-L99 HydrophobicContact CB-CD1 4.27Å; L99-C102 HydrophobicContact CD2-CB 4.21Å
100F80.5Confident60.9Low98 Ų9899.8 Ų99.843%0.4355%0.553SS.*THydrogen-bonded Turntrans-70134173.6-63.5-73000109.4V68 L87 A88 Q98V68-F100 HydrophobicContact CB-CE2 4.47Å; V68-F100 HydrophobicContact CG1-CD2 4.47Å; V68-F100 HydrophobicContact CG1-CE2 3.96Å; V68-F100 HydrophobicContact CG2-CE2 3.85Å; V68-F100 HydrophobicContact CG2-CZ 4.24Å; L87-F100 HydrophobicContact CB-CB 4.34Å; L87-F100 HydrophobicContact CB-CD2 3.75Å; L87-F100 VanDerWaalsContact O-CD2 3.31Å; L87-F100 WeakPolarHBondContact O-CD2 3.39Å; L87-F100 PolarHBondContact O-N 2.64Å; A88-F100 VanDerWaalsContact C-CE2 3.45Å; Q98-F100 PolarHBondContact O-N 3.16Å
101G69.3Low58.6Low60 Ų60106 Ų10662%0.61958%0.577SS**THydrogen-bonded Turntrans88.1-8.917700000115.6
102C55.5Low56.5Low32 Ų32110.3 Ų110.322%0.21661%0.606CS.*  trans-107.4102.1167.3-65.10000109.3F42 L99F42-C102 HydrophobicContact CE1-CB 4.1Å; F42-C102 HydrophobicContact CZ-CB 3.58Å; L99-C102 HydrophobicContact CD2-CB 4.21Å
103G45.1Very low54.8Low60 Ų60105 Ų10562%0.61960%0.597SS**  trans-67.4152169.100000110.6H105G103-H105 PolarHBondContact O-N 2.76Å
104P42.4Very low53.5Low119 Ų119101.1 Ų101.177%0.77359%0.594SS**  trans-59.8122173.724.9-31.5000109.2S106P104-S106 PolarHBondContact O-N 3.4Å; P104-S106 VanDerWaalsContact O-N 3.14Å
105H43Very low52.5Low133 Ų133102.2 Ų102.262%0.61661%0.61SS**  trans-77.998.1171.3-164.271.9000107.4G103 R107G103-H105 PolarHBondContact O-N 2.76Å; H105-R107 PolarHBondContact O-N 2.95Å
106S35.1Very low50.7Low108 Ų108103.1 Ų103.176%0.75562%0.62SS**  trans-58.5109.7164.451.30000108P104 P108P104-S106 PolarHBondContact O-N 3.4Å; P104-S106 VanDerWaalsContact O-N 3.14Å; S106-P108 WeakPolarHBondContact O-CD 3.2Å
107R35.2Very low49.3Very low230 Ų230106.3 Ų106.387%0.86865%0.649SS**  trans-43119.3172-86.8-179.6165.8-177-4.7110.2H105H105-R107 PolarHBondContact O-N 2.95Å
108P37Very low46.8Very low106 Ų106108.6 Ų108.669%0.68867%0.674SS**  trans-71.5132.3160.927.8-28.6000108.6S106S106-P108 WeakPolarHBondContact O-CD 3.2Å
109E34.8Very low44.7Very low191 Ų191109.7 Ų109.789%0.89369%0.692SS**  trans-61.4144.4179.5-64-162.7106.600111.9E111E109-E111 PolarHBondContact O-N 3.22Å
110T40.5Very low42.1Very low135 Ų135114.2 Ų114.283%0.82872%0.724SS**  trans-43.1120.3174-53.40000113.1
111E35.1Very low40.3Very low196 Ų196116 Ų11692%0.91674%0.743SS**  trans-140.6142.3143.6-70.7-159.7111.700111.6E109E109-E111 PolarHBondContact O-N 3.22Å
112S36.9Very low38.5Very low109 Ų109117.4 Ų117.476%0.76275%0.748SS**  trans-79.3162.3-162.7-179.70000113.8
113S36.4Very low37.5Very low108 Ų108122.1 Ų122.176%0.75578%0.78SS**  trans100.5108.3144.5730000119.7
114A38.2Very low36.9Very low93 Ų93123.1 Ų123.177%0.76978%0.783SS**  trans61.1125134.600000121.5
115S41.1Very low36.7Very low129 Ų129122.4 Ų122.490%0.90278%0.781SS**  trans89.9133.7146.791.70000117.1
116G29.2Very low36.5Very low70 Ų70120.1 Ų120.172%0.72278%0.78SS**  trans114.395.3167.500000112.4G118G116-G118 PolarHBondContact O-N 3.24Å
117C47.5Very low36.7Very low144 Ų144119.4 Ų119.497%0.97377%0.767SS**  trans-53.4107.9157.4-176.60000108.3
118G28.8Very low36.8Very low54 Ų54117.1 Ų117.156%0.55777%0.771SS**  trans-137.4103.5173.300000107.1G116 S120G116-G118 PolarHBondContact O-N 3.24Å; G118-S120 PolarHBondContact O-N 3.03Å
119C41.2Very low37Very low123 Ų123115 Ų11583%0.83175%0.754SS**  trans-59.482.7164.935.30000108.8T121C119-T121 PolarHBondContact O-N 2.77Å
120S32.3Very low37Very low101 Ų101114 Ų11471%0.70675%0.753SS**  trans-75.297.5173.9-72.80000108.4G118 A122G118-S120 PolarHBondContact O-N 3.03Å; S120-A122 PolarHBondContact O-N 3.41Å
121T41.6Very low36.6Very low136 Ų136111.9 Ų111.983%0.83474%0.743SS**  trans-61.348.9161.437.80000112C119C119-T121 PolarHBondContact O-N 2.77Å
122A32Very low36.6Very low89 Ų89108.5 Ų108.574%0.73674%0.738SS**  trans-119.317.8175.400000112.2S120S120-A122 PolarHBondContact O-N 3.41Å
123C34.2Very low36.8Very low130 Ų130108.6 Ų108.688%0.87874%0.738SS**SBendtrans-106.610.4169.4-148.90000112.7
124A33.4Very low36.9Very low82 Ų82114.2 Ų114.268%0.67874%0.743SS**SBendtrans-100.45.2-175.500000114.7
125S38.2Very low37.5Very low104 Ų104121.7 Ų121.773%0.72775%0.752SS**SBendtrans-127.167-169.1-54.60000112.7
126S37.1Very low37.4Very low85 Ų85120.3 Ų120.359%0.59474%0.742SS**SBendtrans-167.8-8152.2-87.90000113.9L128S126-L128 PolarHBondContact O-N 3.39Å
127L39.7Very low38.2Very low93 Ų93126.4 Ų126.449%0.48775%0.748SS.*  trans-83.797162.8-67.4162.8000107.7L129L127-L129 HydrophobicContact CB-CD1 4.31Å; L127-L129 HydrophobicContact CB-CD2 3.89Å; L127-L129 HydrophobicContact CB-CG 3.71Å; L127-L129 HydrophobicContact CD2-CD2 4.35Å; L127-L129 PolarHBondContact O-N 2.94Å
128L37.1Very low38.4Very low182 Ų182125 Ų12595%0.95374%0.74SS**  trans-68.373.1157-74.8174.7000107.8S126 L130S126-L128 PolarHBondContact O-N 3.39Å; L128-L130 PolarHBondContact O-N 3.37Å
129L42.3Very low39.4Very low62 Ų62126.2 Ų126.233%0.32574%0.738SS.*  trans-67.3107.9162.9-57.4179.8000105.7L84 L127 C131L84-L129 HydrophobicContact CD2-CD1 3.99Å; L84-L129 HydrophobicContact CD2-CD2 3.35Å; L84-L129 HydrophobicContact CD2-CG 4.32Å; L127-L129 HydrophobicContact CB-CD1 4.31Å; L127-L129 HydrophobicContact CB-CD2 3.89Å; L127-L129 HydrophobicContact CB-CG 3.71Å; L127-L129 HydrophobicContact CD2-CD2 4.35Å; L127-L129 PolarHBondContact O-N 2.94Å; L129-C131 PolarHBondContact O-N 3.19Å
130L34.3Very low39.7Very low170 Ų170129.9 Ų129.989%0.8974%0.74SS**  trans-71.875.3165.9-164.172.9000107.6L128 P132L128-L130 PolarHBondContact O-N 3.37Å; L130-P132 WeakPolarHBondContact O-CD 2.94Å
131C32.7Very low40.5Very low90 Ų90128.1 Ų128.161%0.60873%0.732SS**  trans-64.5114.9176.4-66.10000109.5L129 S133L129-C131 PolarHBondContact O-N 3.19Å; C131-S133 PolarHBondContact O-N 3Å
132P34Very low40.8Very low125 Ų125128 Ų12881%0.81272%0.716SS**  trans-74.399.8166.8-4.923.9000107.1L130 R134L130-P132 WeakPolarHBondContact O-CD 2.94Å; P132-R134 PolarHBondContact O-N 3.43Å
133S40.8Very low41.8Very low110 Ų110132.4 Ų132.477%0.76972%0.718SS**  trans-61.2105171.1-173.50000109.5C131C131-S133 PolarHBondContact O-N 3Å
134R40.2Very low42.5Very low227 Ų227128.2 Ų128.286%0.85769%0.69SS**  trans-162.5113.3150.1-124173.8-75.7-97.71.6114.5P132 S136P132-R134 PolarHBondContact O-N 3.43Å; R134-S136 PolarHBondContact O-N 3.17Å
135R50.5Low43.5Very low250 Ų250129.7 Ų129.794%0.94369%0.686SS**  trans-42.3117.6154.6-177.7-174.1-65-103.30.6110.9
136S37.8Very low43.9Very low99 Ų99129.9 Ų129.969%0.69268%0.678SS**  trans-150.7145.7157.984.20000110.7R134R134-S136 PolarHBondContact O-N 3.17Å
137K45.6Very low44.6Very low198 Ų198130.1 Ų130.186%0.86168%0.677SS**  trans-61.1135.1-172.6-65.5169.1177.3176.80110.2
138S52.9Low44.7Very low114 Ų114131.4 Ų131.480%0.79769%0.691SS**  trans-2.5113.817157.50000117.5
139P49Very low45.3Very low81 Ų81132.8 Ų132.853%0.52668%0.683SS.*  trans-132.8107.2157.233.7-15.2000113.4E80E80-P139 VanDerWaalsContact OE2-C 3.26Å
140K47.4Very low45.2Very low199 Ų199135.5 Ų135.587%0.86570%0.704SS**  trans27.5111.8155.4-64.4-176.9-179.9178.40117.5E80 W142E80-K140 VanDerWaalsContact OE1-C 3.28Å; K140-W142 PolarHBondContact O-N 3.37Å
141A50.1Low45.7Very low64 Ų64135.3 Ų135.353%0.52970%0.704SS.*  trans-6.6108.1155.800000114.9E80 K143E80-A141 PolarHBondContact OE1-N 3.48Å; A141-K143 PolarHBondContact O-N 2.78Å; A141-K143 VanDerWaalsContact O-N 3.09Å
142W47.9Very low45.9Very low134 Ų134137.4 Ų137.451%0.50871%0.708SS.*  trans-63110.9172.2166.5-90.3000110.8F51 E80 L81 K140F51-W142 HydrophobicContact CE2-CZ2 4.19Å; E80-W142 WeakPolarHBondContact O-CB 3.3Å; L81-W142 HydrophobicContact CD2-CE3 3.88Å; L81-W142 HydrophobicContact CD2-CZ3 4.26Å; K140-W142 PolarHBondContact O-N 3.37Å
143K52.5Low46.6Very low181 Ų181137.1 Ų137.179%0.78771%0.71SS**  trans-107111.4170.8-71179175.3-175.20106.5A141 D145A141-K143 PolarHBondContact O-N 2.78Å; A141-K143 VanDerWaalsContact O-N 3.09Å; K143-D145 PolarHBondContact O-N 3.34Å
144P49.4Very low47.1Very low42 Ų42133.7 Ų133.727%0.27369%0.691SS.*  trans-61.8130.7172.328.1-34.7000108.9F51 L146F51-P144 HydrophobicContact CE1-CB 4.4Å; F51-P144 HydrophobicContact CE2-CB 4Å; F51-P144 HydrophobicContact CZ-CB 3.38Å; F51-P144 HydrophobicContact CZ-CG 4.45Å; P144-L146 VanDerWaalsContact C-N 3.28Å; P144-L146 HydrophobicContact CB-CD2 4.05Å; P144-L146 HydrophobicContact CB-CG 4.27Å; P144-L146 HydrophobicContact CG-CD1 4.4Å; P144-L146 HydrophobicContact CG-CD2 4.14Å; P144-L146 HydrophobicContact CG-CG 4.08Å; P144-L146 PolarHBondContact O-N 2.94Å
145D54.3Low47.2Very low114 Ų114129.4 Ų129.461%0.6169%0.685SS**  trans-70.792.1169.8-175.95.6000108K143 T147K143-D145 PolarHBondContact O-N 3.34Å; D145-T147 PolarHBondContact O-N 3.05Å; D145-T147 VanDerWaalsContact OD1-CB 3.27Å; D145-T147 WeakPolarHBondContact OD1-CB 3.45Å; D145-T147 VanDerWaalsContact OD1-CG2 3.3Å; D145-T147 WeakPolarHBondContact OD1-CG2 2.99Å; D145-T147 PolarHBondContact OD1-N 3.04Å; D145-T147 PolarHBondContact OD1-OG1 3.35Å; D145-T147 PolarHBondContact OD2-OG1 3.17Å
146L47Very low47Very low107 Ų107122.7 Ų122.756%0.5668%0.677SS**  trans-83.68.3177.5-61.1178.9000111.9A24 P144 P148A24-L146 HydrophobicContact CB-CD1 3.81Å; P144-L146 VanDerWaalsContact C-N 3.28Å; P144-L146 HydrophobicContact CB-CD2 4.05Å; P144-L146 HydrophobicContact CB-CG 4.27Å; P144-L146 HydrophobicContact CG-CD1 4.4Å; P144-L146 HydrophobicContact CG-CD2 4.14Å; P144-L146 HydrophobicContact CG-CG 4.08Å; P144-L146 PolarHBondContact O-N 2.94Å; L146-P148 WeakPolarHBondContact O-CD 3Å
147T50.8Low47.5Very low91 Ų91126.2 Ų126.256%0.55868%0.682SS**  trans-65.3118175.162.60000108.6D145 R149D145-T147 PolarHBondContact O-N 3.05Å; D145-T147 VanDerWaalsContact OD1-CB 3.27Å; D145-T147 WeakPolarHBondContact OD1-CB 3.45Å; D145-T147 VanDerWaalsContact OD1-CG2 3.3Å; D145-T147 WeakPolarHBondContact OD1-CG2 2.99Å; D145-T147 PolarHBondContact OD1-N 3.04Å; D145-T147 PolarHBondContact OD1-OG1 3.35Å; D145-T147 PolarHBondContact OD2-OG1 3.17Å; T147-R149 PolarHBondContact O-N 2.99Å
148P42.5Very low47.5Very low120 Ų120121.4 Ų121.478%0.77967%0.674SS**  trans-62.2110.1169.8-13.728.2000106L146 P150L146-P148 WeakPolarHBondContact O-CD 3Å; P148-P150 WeakPolarHBondContact O-CD 3.22Å; P148-P150 VanDerWaalsContact O-N 3.15Å
149R49.6Very low47.1Very low210 Ų210120.9 Ų120.979%0.79267%0.67SS**  trans-59.7122167.1-69.6-169175.9-148.6-1.4106T147 L151T147-R149 PolarHBondContact O-N 2.99Å; R149-L151 PolarHBondContact O-N 3.44Å; R149-L151 VanDerWaalsContact O-N 3.1Å
150P40.4Very low46.8Very low119 Ų119121.4 Ų121.477%0.77368%0.676SS**  trans-55.1125.4173.820.2-28.5000107.2P148 N152P148-P150 WeakPolarHBondContact O-CD 3.22Å; P148-P150 VanDerWaalsContact O-N 3.15Å; P150-N152 VanDerWaalsContact C-N 3.29Å; P150-N152 PolarHBondContact O-N 3.05Å
151L43.5Very low46.8Very low167 Ų167119 Ų11987%0.87467%0.671SS**  trans-59.7103.6165.7-75.5167.1000105.1R149 S153R149-L151 PolarHBondContact O-N 3.44Å; R149-L151 VanDerWaalsContact O-N 3.1Å; L151-S153 PolarHBondContact O-N 3.19Å
152N38Very low46.7Very low133 Ų133123.6 Ų123.671%0.71169%0.685SS**  trans-59.7109.1175.6-164.712.8000106.9P150 G154P150-N152 VanDerWaalsContact C-N 3.29Å; P150-N152 PolarHBondContact O-N 3.05Å; N152-G154 PolarHBondContact ND2-O 3.02Å; N152-G154 PolarHBondContact OD1-O 3.11Å
153S47.6Very low46.8Very low120 Ų120125.7 Ų125.784%0.83970%0.701SS**  trans-94.2102.7173.942.40000105.8L151L151-S153 PolarHBondContact O-N 3.19Å
154G51.3Low46.5Very low37 Ų37119.4 Ų119.438%0.38169%0.688SS.*  trans99.6109.9-165.700000108.6N152N152-G154 PolarHBondContact ND2-O 3.02Å; N152-G154 PolarHBondContact OD1-O 3.11Å
155D44Very low46.3Very low137 Ų137124.9 Ų124.973%0.73371%0.709SS**  -140113.553.4-55.7-52.9000110.3E157D155-E157 HydrophobicContact CB-CG 4.22Å; D155-E157 PolarHBondContact O-N 2.75Å
156S45.3Very low46.2Very low109 Ų109131.7 Ų131.776%0.76273%0.726SS**  trans-68.285.6160.2-780000108.9S158S156-S158 PolarHBondContact O-N 3.39Å
157E49.5Very low45.9Very low173 Ų173133.6 Ų133.681%0.80873%0.734SS**  trans-85.445.9161.1-58.3-135.8118.500110.3D155D155-E157 HydrophobicContact CB-CG 4.22Å; D155-E157 PolarHBondContact O-N 2.75Å
158S44.2Very low45.6Very low98 Ų98135.3 Ų135.369%0.68575%0.745SS**  trans-98.87.6176.4-62.20000113.4S156S156-S158 PolarHBondContact O-N 3.39Å
159S43.9Very low45.8Very low102 Ų102141.2 Ų141.271%0.71375%0.751SS**SBendtrans-100.41.8-175.5-63.60000115.8
160S44.6Very low45.4Very low93 Ų93138 Ų13865%0.6575%0.75SS**SBendtrans-93.9-17.8177.861.20000114.7L162S160-L162 VanDerWaalsContact C-N 3.27Å; S160-L162 PolarHBondContact O-N 2.63Å
161I47.1Very low45.8Very low148 Ų148141.3 Ų141.376%0.75976%0.755SS**THydrogen-bonded Turntrans-83.12.1-176.2-60-167.1000113.3
162L47.1Very low45.5Very low160 Ų160138.5 Ų138.584%0.83875%0.75SS**THydrogen-bonded Turntrans-113.91.9175.9-66178.7000114.7S160S160-L162 VanDerWaalsContact C-N 3.27Å; S160-L162 PolarHBondContact O-N 2.63Å
163Q50.5Low46.2Very low179 Ų179138.4 Ų138.484%0.83675%0.754SS**SBendtrans-108.1-2.1-175.7-147.485.215.900115
164G45.2Very low45.9Very low49 Ų49140.2 Ų140.251%0.50575%0.753SS.*SBendtrans-120.1131.817600000110.3
165H45.8Very low45.5Very low156 Ų156143.4 Ų143.472%0.72277%0.767SS**  trans89.361.3-177.1-53.3-88.3000115.9M167H165-M167 HydrophobicContact CB-CG 4.35Å; H165-M167 PolarHBondContact ND1-SD 2.82Å; H165-M167 PolarHBondContact O-N 3.37Å
166R52.6Low45.9Very low257 Ų257145.3 Ų145.397%0.9777%0.772SS**  trans-6577.1130.8-172.6177.3179.4163.7-1.1107.7
167M41.2Very low46.2Very low148 Ų148142.8 Ų142.873%0.72976%0.763SS**  trans-104.2133.2162.8-76.9-165.8174.800108.3H165 R169H165-M167 HydrophobicContact CB-CG 4.35Å; H165-M167 PolarHBondContact ND1-SD 2.82Å; H165-M167 PolarHBondContact O-N 3.37Å; M167-R169 PolarHBondContact O-N 3.48Å
168T43.8Very low46.3Very low126 Ų126144 Ų14477%0.77376%0.76SS**  trans-46.8130.3-173.342.50000111.9D170T168-D170 VanDerWaalsContact C-N 3.32Å; T168-D170 PolarHBondContact O-N 3.21Å
169R47.5Very low46.6Very low245 Ų245142.2 Ų142.293%0.92575%0.751SS**  trans-48.796.5158.8175.1-176.1-179.2135.1-1.4108.6M167M167-R169 PolarHBondContact O-N 3.48Å
170D40.4Very low47.1Very low142 Ų142141.9 Ų141.976%0.75974%0.742SS**  trans-154.5127.1155-91.5-33.7000110.6T168T168-D170 VanDerWaalsContact C-N 3.32Å; T168-D170 PolarHBondContact O-N 3.21Å
171Q48.8Very low47.6Very low188 Ų188144 Ų14488%0.87974%0.742SS**  trans-9.3125.7166-56.1-123.85500118.7
172S37.8Very low47.8Very low109 Ų109142.6 Ų142.676%0.76273%0.734SS**  trans-171109.5134.369.50000113.3
173T51.8Low48.1Very low131 Ų131140.3 Ų140.380%0.80472%0.722SS**  trans22.5107.3134.4-26.90000118.5
174L42.3Very low48.3Very low157 Ų157139.5 Ų139.582%0.82272%0.716SS**  trans-62.2129.9161.9-110.6133.1000109.5Q176L174-Q176 PolarHBondContact O-N 2.78Å; L174-Q176 VanDerWaalsContact O-N 3.09Å
175P42.9Very low48.8Very low105 Ų105144.9 Ų144.968%0.68273%0.732SS**  trans-68.2113.9176.726-30.7000109.2G177P175-G177 PolarHBondContact O-N 3.26Å
176Q52.4Low49.1Very low176 Ų176142.9 Ų142.982%0.82273%0.726SS**THydrogen-bonded Turntrans-58.3-3.6-175.2-154.3123-20.100115L174L174-Q176 PolarHBondContact O-N 2.78Å; L174-Q176 VanDerWaalsContact O-N 3.09Å
177G51.8Low48.8Very low56 Ų56139.2 Ų139.258%0.57772%0.717SS**THydrogen-bonded Turntrans-93.7-5.3-171.900000117P175P175-G177 PolarHBondContact O-N 3.26Å
178R49.9Very low49.2Very low198 Ų198137.7 Ų137.775%0.74772%0.716SS**SBendtrans-94.5-19.6-177.1-160.4174.8-176.9-172.20.6114.4D180R178-D180 VanDerWaalsContact C-N 3.31Å
179A50.8Low48.9Very low61 Ų61136.2 Ų136.250%0.50471%0.71SS.*Hα-helixtrans-70.5-30.3176.600000112.1I182 L183A179-I182 PolarHBondContact O-N 3.05Å; A179-L183 WeakPolarHBondContact O-CG 3.42Å; A179-L183 PolarHBondContact O-N 3.17Å
180D54.1Low49.1Very low95 Ų95130.1 Ų130.151%0.50870%0.702SS.*Hα-helixtrans-74.6-25.9-176.5-62.5-43.1000113.6R178 K184R178-D180 VanDerWaalsContact C-N 3.31Å; D180-K184 WeakPolarHBondContact O-CG 3.47Å; D180-K184 PolarHBondContact O-N 3.07Å; D180-K184 VanDerWaalsContact O-N 3.1Å
181E55.9Low49Very low139 Ų139131.5 Ų131.565%0.6571%0.709SS**Hα-helixtrans-73.4-38.3174.4-97.7-164.2145.300112.6L183 K184 L185E181-L183 VanDerWaalsContact C-N 3.28Å; E181-L183 PolarHBondContact O-N 2.97Å; E181-K184 WeakPolarHBondContact O-CB 3.13Å; E181-K184 PolarHBondContact O-N 3.23Å; E181-L185 PolarHBondContact O-N 3.14Å
182I51.8Low49Very low117 Ų117134.2 Ų134.260%0.671%0.711SS**Hα-helixtrans-66.1-38.6177.1-59.9175.9000109.6A179 K184 L185A179-I182 PolarHBondContact O-N 3.05Å; I182-K184 VanDerWaalsContact C-N 3.32Å; I182-K184 PolarHBondContact O-N 3.48Å; I182-L185 PolarHBondContact O-N 3.17Å
183L52.7Low49.2Very low112 Ų112139 Ų13959%0.58674%0.736SS**Hα-helixtrans-71.1-23.5176-69.9166.4000113.3A179 E181 L185 I186A179-L183 WeakPolarHBondContact O-CG 3.42Å; A179-L183 PolarHBondContact O-N 3.17Å; E181-L183 VanDerWaalsContact C-N 3.28Å; E181-L183 PolarHBondContact O-N 2.97Å; L183-L185 VanDerWaalsContact C-N 3.29Å; L183-L185 PolarHBondContact O-N 3.18Å; L183-I186 PolarHBondContact O-N 2.99Å
184K55.4Low49.1Very low162 Ų162139.4 Ų139.470%0.70473%0.733SS**Hα-helixtrans-68.1-26.4172-89.5174.8179.1171.10113.3D180 E181 I182 I186D180-K184 WeakPolarHBondContact O-CG 3.47Å; D180-K184 PolarHBondContact O-N 3.07Å; D180-K184 VanDerWaalsContact O-N 3.1Å; E181-K184 WeakPolarHBondContact O-CB 3.13Å; E181-K184 PolarHBondContact O-N 3.23Å; I182-K184 VanDerWaalsContact C-N 3.32Å; I182-K184 PolarHBondContact O-N 3.48Å; K184-I186 VanDerWaalsContact C-N 3.26Å; K184-I186 PolarHBondContact O-N 2.86Å
185L56.3Low49.5Very low162 Ų162138.5 Ų138.585%0.84873%0.728SS**Hα-helixtrans-73.8-21.4177.2-136.576.7000112.2E181 I182 L183 K187E181-L185 PolarHBondContact O-N 3.14Å; I182-L185 PolarHBondContact O-N 3.17Å; L183-L185 VanDerWaalsContact C-N 3.29Å; L183-L185 PolarHBondContact O-N 3.18Å; L185-K187 PolarHBondContact O-N 3.14Å
186I50.7Low49.8Very low115 Ų115140.3 Ų140.359%0.5973%0.731SS**  trans-102.757.7177.7-46.8174.5000108.6L183 K184 V188L183-I186 PolarHBondContact O-N 2.99Å; K184-I186 VanDerWaalsContact C-N 3.26Å; K184-I186 PolarHBondContact O-N 2.86Å; I186-V188 HydrophobicContact CG2-CG2 3.97Å; I186-V188 PolarHBondContact O-N 2.79Å
187K47.2Very low49.7Very low179 Ų179138.2 Ų138.278%0.77873%0.725SS**  trans-75.775.9171.2-166.192.9174.8178.20108.9L185 S189L185-K187 PolarHBondContact O-N 3.14Å; K187-S189 PolarHBondContact O-N 3.41Å
188V48.6Very low49.5Very low117 Ų117143.4 Ų143.471%0.70973%0.734SS**  trans-73.4104.1165177.50000106.8I186 P190I186-V188 HydrophobicContact CG2-CG2 3.97Å; I186-V188 PolarHBondContact O-N 2.79Å; V188-P190 WeakPolarHBondContact O-CD 3.37Å
189S38.8Very low49.5Very low94 Ų94139.7 Ų139.766%0.65773%0.734SS**  trans-63.9121.9171.1-59.30000109.1K187 L191K187-S189 PolarHBondContact O-N 3.41Å; S189-L191 PolarHBondContact O-N 3.03Å
190P50.1Low49.4Very low117 Ų117145.4 Ų145.476%0.7675%0.75SS**  trans-68.9120.7170.5-11.526.4000108.7V188 R192V188-P190 WeakPolarHBondContact O-CD 3.37Å; P190-R192 PolarHBondContact O-N 2.77Å
191L39.8Very low49.1Very low171 Ų171149.2 Ų149.290%0.89577%0.769SS**  trans-65.8112.8162-71.5168.6000106.8S189 T193S189-L191 PolarHBondContact O-N 3.03Å; L191-T193 PolarHBondContact O-N 2.99Å
192R48Very low48.5Very low245 Ų245150.1 Ų150.193%0.92578%0.778SS**  trans-70.4119.9171.5-63.7-175.2-174.7-160.31.4107.8P190P190-R192 PolarHBondContact O-N 2.77Å
193T42.5Very low48.2Very low210 Ų210153.1 Ų153.1100%1.28880%0.795SS**  trans-76.70155.845.40000110.1L191L191-T193 PolarHBondContact O-N 2.99Å

Retrieved 193 of 193 residues in 59.1 ms (Link to these results)