A0AA82MYK3_SCHMA Loading...

Glypican AlphaSync

AlphaFold DB , UniProt , Accession A0AA82MYK3, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 1,046 aa.

						>A0AA82MYK3_SCHMA|A0AA82MYK3
MTRSLFLRNYESLIFVVIVSILLKTCATNLTKERCQRAVQEALSMGLSFPQPEKLPMFLNPTTQSEQRQHQTTENPQLSRDNGRTSNTITSTTVDENSRNAKESLYLWLSETQLNQLLEYNFLDTYRAHAGQGRSLSDLNWDANQSQLYHQSLCYWSDTNLPKHTCCTFQMELGLLQKTTDELHQSLSNYLGRWHKELSKLRTALRDQLIESLELLKIKLNQTFCSNELIIIKTNNNTPLNDSNITWNCWYHIIELISKFRLILEQSFLIQDDIILDLMLPVDNYLIQSLLETSCQSNIIDSKNIQAEELDEKIKCHEYCQARLNLIFDSLTGHSDLPSLTRKSRNLFVNNKVNRHSLLPLPNDRNHPMKDEERRISKGRTVKSSNNINNNINTHNNDNDINQINNVLIEAEQYRMLYRPELVFTFRLNRKLIQSLELGESLIDGLKNFNIAQGTCMRKLMRMHYCALCSGETLSRPCPGLCLKILSDCLRPLSQLNPQWYRFTETIKSVADIFLEKPQLRLESQLDDFPEHLVNYYHQLLHTYHNWLQPQCSGIKKLYNVFDQLKNNSKTIFQTMKKNNNTKRLKHHKKIFEQMKTTMDEIKNIWSHSSTALCLESPYLALINRRRDQCWNGTTIASFNEEKCTFCQHEPKLQETIITNSHNENSNEKLPPSRKQRTSFIPTNDIQQQSSISETDDLLSASIASTNYLLNNPSWNSPLQHDKELAFRRANEILVRASRDLEWSVKSLLSETNYYNSLNAKSTSNGGDKSKGNTPPESWARISTSQKPGEQYETGKTSSNPHSDMTNSLGMLAYGSILNWNAQGEGGEEEEKEEEVQRKIPMNSRNNNPSSLDSSSKPIRMTINQKNSKKKNSPDKTQRTRPLERNSNLASGFIPGWTLYAWTPISSPAKEHTYDKPVDNSFVQEDTNYGESGLHDTKGELDYPQLFPFVNMNSQGLNISIMGSDEKFLRNNSVFNPNYYHNLNNSLWTNKQNTKNNKTTNLTDLNKIQDPNSNKNGAMCIELQHEQYYIINISISVMLLIYLLGI
					

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(Predicted Aligned Error values between residue pairs)

Download Structure AlphaSync Parameters PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	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
1	M	53.8	Low	66.4	Low	205 Å²	205	142.8 Å²	142.8	100%	1.01	67%	0.671	S	S	*	*				0	-61.2	0	-77.7	-176.8	166.5	0	0	112.9	R3 S4 L5	M1-R3 VanDerWaalsContact C-N 3.32Å; M1-R3 PolarHBondContact O-N 3.26Å; M1-S4 PolarHBondContact O-N 2.73Å; M1-S4 VanDerWaalsContact O-N 3.14Å; M1-S4 PolarHBondContact O-OG 2.74Å; M1-L5 PolarHBondContact O-N 2.75Å
2	T	59	Low	66.9	Low	111 Å²	111	136.8 Å²	136.8	68%	0.681	66%	0.656	S	S	*	*	H	α-helix	trans	-49.3	-46.1	-177.8	47.5	0	0	0	0	114.4	S4 L5 F6	T2-S4 VanDerWaalsContact C-N 3.34Å; T2-S4 PolarHBondContact O-N 3.12Å; T2-L5 PolarHBondContact O-N 3.5Å; T2-F6 PolarHBondContact O-N 2.97Å
3	R	58.7	Low	67.8	Low	214 Å²	214	134.8 Å²	134.8	81%	0.808	65%	0.65	S	S	*	*	H	α-helix	trans	-62.2	-32.9	-178.2	-155.6	174.2	-174.3	-175.4	-0.8	114.3	M1 L7	M1-R3 VanDerWaalsContact C-N 3.32Å; M1-R3 PolarHBondContact O-N 3.26Å; R3-L7 PolarHBondContact O-N 3.33Å
4	S	61.4	Low	68.8	Low	76 Å²	76	129.9 Å²	129.9	53%	0.531	63%	0.628	S	S	.	*	H	α-helix	trans	-81	-25.9	177.4	57	0	0	0	0	113.3	M1 T2 R8	M1-S4 PolarHBondContact O-N 2.73Å; M1-S4 VanDerWaalsContact O-N 3.14Å; M1-S4 PolarHBondContact O-OG 2.74Å; T2-S4 VanDerWaalsContact C-N 3.34Å; T2-S4 PolarHBondContact O-N 3.12Å; S4-R8 WeakPolarHBondContact O-CB 3.49Å; S4-R8 PolarHBondContact O-N 3.16Å
5	L	64.6	Low	69.6	Low	108 Å²	108	130.7 Å²	130.7	57%	0.565	63%	0.628	S	S	*	*	H	α-helix	trans	-64.9	-42.1	169	-87	160.6	0	0	0	111.7	M1 T2 R8 N9	M1-L5 PolarHBondContact O-N 2.75Å; T2-L5 PolarHBondContact O-N 3.5Å; L5-R8 PolarHBondContact O-N 3.22Å; L5-N9 WeakPolarHBondContact O-CB 3.46Å; L5-N9 PolarHBondContact O-N 3.47Å
6	F	67.6	Low	70.2	Confident	158 Å²	158	127.9 Å²	127.9	69%	0.693	62%	0.621	S	S	*	*	H	α-helix	trans	-63.4	-46.1	175.4	-88.7	-79.1	0	0	0	112.7	T2 R8 N9 Y10	T2-F6 PolarHBondContact O-N 2.97Å; F6-R8 PolarHBondContact O-N 3.07Å; F6-N9 PolarHBondContact O-N 3.29Å; F6-Y10 WeakPolarHBondContact O-CB 3.47Å; F6-Y10 PolarHBondContact O-N 3.04Å
7	L	67.4	Low	70.9	Confident	96 Å²	96	124.5 Å²	124.5	50%	0.503	61%	0.609	S	S	.	*	H	α-helix	trans	-59	-47	175.6	-80.6	162.3	0	0	0	112	R3 N9 Y10 E11	R3-L7 PolarHBondContact O-N 3.33Å; L7-N9 VanDerWaalsContact C-N 3.34Å; L7-N9 PolarHBondContact O-N 2.96Å; L7-Y10 PolarHBondContact O-N 2.76Å; L7-Y10 VanDerWaalsContact O-N 3.11Å; L7-E11 WeakPolarHBondContact O-CG 3.4Å; L7-E11 PolarHBondContact O-N 2.89Å
8	R	70.5	Confident	71.3	Confident	201 Å²	201	121.7 Å²	121.7	76%	0.758	60%	0.596	S	S	*	*	H	α-helix	trans	-65.7	-34.9	-179.4	-162.9	177.4	-171.2	-167.2	2.4	113.1	S4 L5 F6 S12	S4-R8 WeakPolarHBondContact O-CB 3.49Å; S4-R8 PolarHBondContact O-N 3.16Å; L5-R8 PolarHBondContact O-N 3.22Å; F6-R8 PolarHBondContact O-N 3.07Å; R8-S12 WeakPolarHBondContact O-CB 3.46Å; R8-S12 PolarHBondContact O-N 3.2Å; R8-S12 VanDerWaalsContact O-N 3.15Å
9	N	72.1	Confident	71.5	Confident	109 Å²	109	118.3 Å²	118.3	58%	0.583	58%	0.583	S	S	*	*	H	α-helix	trans	-67.7	-39.6	171.5	-79.6	-0.8	0	0	0	111.8	L5 F6 L7 S12 L13	L5-N9 WeakPolarHBondContact O-CB 3.46Å; L5-N9 PolarHBondContact O-N 3.47Å; F6-N9 PolarHBondContact O-N 3.29Å; L7-N9 VanDerWaalsContact C-N 3.34Å; L7-N9 PolarHBondContact O-N 2.96Å; N9-S12 PolarHBondContact O-N 3.45Å; N9-L13 WeakPolarHBondContact O-CB 3.27Å; N9-L13 PolarHBondContact O-N 3.3Å
10	Y	79.5	Confident	71.5	Confident	161 Å²	161	115.2 Å²	115.2	63%	0.631	57%	0.574	S	S	*	*	H	α-helix	trans	-66.8	-44.5	179.7	-163.2	-107.7	0	0	0	112	F6 L7 S12 L13 I14	F6-Y10 WeakPolarHBondContact O-CB 3.47Å; F6-Y10 PolarHBondContact O-N 3.04Å; L7-Y10 PolarHBondContact O-N 2.76Å; L7-Y10 VanDerWaalsContact O-N 3.11Å; Y10-S12 PolarHBondContact O-N 3.18Å; Y10-L13 PolarHBondContact O-N 3.23Å; Y10-I14 HydrophobicContact CD1-CD1 3.69Å; Y10-I14 HydrophobicContact CE1-CD1 3.56Å; Y10-I14 HydrophobicContact CE1-CG1 4.41Å; Y10-I14 WeakPolarHBondContact O-CG1 3.44Å; Y10-I14 PolarHBondContact O-N 3.09Å
11	E	75.9	Confident	71.4	Confident	132 Å²	132	114.4 Å²	114.4	62%	0.617	57%	0.571	S	S	*	*	H	α-helix	trans	-55.3	-48.7	170.8	-70.8	-114.4	120.7	0	0	111.8	L7 L13 I14 F15	L7-E11 WeakPolarHBondContact O-CG 3.4Å; L7-E11 PolarHBondContact O-N 2.89Å; E11-L13 VanDerWaalsContact C-N 3.27Å; E11-L13 PolarHBondContact O-N 3.36Å; E11-I14 PolarHBondContact O-N 2.63Å; E11-F15 WeakPolarHBondContact O-CB 3.45Å; E11-F15 PolarHBondContact O-N 3.42Å
12	S	72.6	Confident	71.7	Confident	70 Å²	70	109.5 Å²	109.5	49%	0.49	55%	0.548	S	S	.	.	H	α-helix	trans	-64.1	-32.3	179	-168.6	0	0	0	0	112.6	R8 N9 Y10 V16	R8-S12 WeakPolarHBondContact O-CB 3.46Å; R8-S12 PolarHBondContact O-N 3.2Å; R8-S12 VanDerWaalsContact O-N 3.15Å; N9-S12 PolarHBondContact O-N 3.45Å; Y10-S12 PolarHBondContact O-N 3.18Å; S12-V16 VanDerWaalsContact O-CG2 3.3Å; S12-V16 WeakPolarHBondContact O-CG2 3.46Å; S12-V16 PolarHBondContact O-N 3.24Å
13	L	78.3	Confident	71.5	Confident	112 Å²	112	110 Å²	110	59%	0.586	55%	0.546	S	S	*	.	H	α-helix	trans	-74.5	-42	178.3	-153.3	161.4	0	0	0	110.7	N9 Y10 E11 F15 V16 V17	N9-L13 WeakPolarHBondContact O-CB 3.27Å; N9-L13 PolarHBondContact O-N 3.3Å; Y10-L13 PolarHBondContact O-N 3.23Å; E11-L13 VanDerWaalsContact C-N 3.27Å; E11-L13 PolarHBondContact O-N 3.36Å; L13-F15 VanDerWaalsContact C-N 3.34Å; L13-F15 PolarHBondContact O-N 3.19Å; L13-V16 PolarHBondContact O-N 3.4Å; L13-V17 HydrophobicContact CD2-CG2 4.08Å; L13-V17 WeakPolarHBondContact O-CG2 3.39Å; L13-V17 PolarHBondContact O-N 3.5Å
14	I	82	Confident	71	Confident	65 Å²	65	107.8 Å²	107.8	33%	0.333	54%	0.542	S	S	.	.	H	α-helix	trans	-57.3	-47	169.7	-72.4	167.6	0	0	0	110.5	Y10 E11 V16 V17 I18	Y10-I14 HydrophobicContact CD1-CD1 3.69Å; Y10-I14 HydrophobicContact CE1-CD1 3.56Å; Y10-I14 HydrophobicContact CE1-CG1 4.41Å; Y10-I14 WeakPolarHBondContact O-CG1 3.44Å; Y10-I14 PolarHBondContact O-N 3.09Å; E11-I14 PolarHBondContact O-N 2.63Å; I14-V16 PolarHBondContact O-N 3.02Å; I14-V17 PolarHBondContact O-N 2.95Å; I14-V17 VanDerWaalsContact O-N 3.17Å; I14-I18 HydrophobicContact CG2-CD1 3.64Å; I14-I18 HydrophobicContact CG2-CG1 4.31Å; I14-I18 WeakPolarHBondContact O-CG1 3.47Å; I14-I18 PolarHBondContact O-N 3.01Å
15	F	80.4	Confident	70.3	Confident	143 Å²	143	109 Å²	109	63%	0.627	55%	0.546	S	S	*	.	H	α-helix	trans	-62	-43.5	180	-159.9	-89.1	0	0	0	111.8	E11 L13 V17 I18 V19	E11-F15 WeakPolarHBondContact O-CB 3.45Å; E11-F15 PolarHBondContact O-N 3.42Å; L13-F15 VanDerWaalsContact C-N 3.34Å; L13-F15 PolarHBondContact O-N 3.19Å; F15-V17 VanDerWaalsContact C-N 3.34Å; F15-V17 PolarHBondContact O-N 2.72Å; F15-I18 PolarHBondContact O-N 3.02Å; F15-V19 HydrophobicContact CD1-CG2 3.81Å; F15-V19 HydrophobicContact CE1-CG2 3.63Å; F15-V19 HydrophobicContact CZ-CG2 4.38Å; F15-V19 WeakPolarHBondContact O-CB 3.32Å; F15-V19 VanDerWaalsContact O-CG2 3.27Å; F15-V19 WeakPolarHBondContact O-CG2 3.09Å; F15-V19 PolarHBondContact O-N 3.3Å
16	V	80	Confident	69.3	Low	86 Å²	86	108.7 Å²	108.7	52%	0.521	55%	0.552	S	S	.	*	H	α-helix	trans	-62.4	-38.5	174.2	167.4	0	0	0	0	112	S12 L13 I14 S20	S12-V16 VanDerWaalsContact O-CG2 3.3Å; S12-V16 WeakPolarHBondContact O-CG2 3.46Å; S12-V16 PolarHBondContact O-N 3.24Å; L13-V16 PolarHBondContact O-N 3.4Å; I14-V16 PolarHBondContact O-N 3.02Å; V16-S20 VanDerWaalsContact O-CB 3.24Å; V16-S20 WeakPolarHBondContact O-CB 3.36Å; V16-S20 PolarHBondContact O-N 3.38Å; V16-S20 PolarHBondContact O-OG 3.42Å
17	V	81	Confident	68.1	Low	69 Å²	69	103.9 Å²	103.9	42%	0.418	54%	0.542	S	S	.	.	H	α-helix	trans	-67.9	-45.2	176.2	169.6	0	0	0	0	111.4	L13 I14 F15 S20 I21	L13-V17 HydrophobicContact CD2-CG2 4.08Å; L13-V17 WeakPolarHBondContact O-CG2 3.39Å; L13-V17 PolarHBondContact O-N 3.5Å; I14-V17 PolarHBondContact O-N 2.95Å; I14-V17 VanDerWaalsContact O-N 3.17Å; F15-V17 VanDerWaalsContact C-N 3.34Å; F15-V17 PolarHBondContact O-N 2.72Å; V17-S20 WeakPolarHBondContact O-CB 3.1Å; V17-S20 PolarHBondContact O-N 3.17Å; V17-I21 HydrophobicContact CG1-CD1 3.83Å; V17-I21 VanDerWaalsContact O-CG1 3.31Å; V17-I21 WeakPolarHBondContact O-CG1 3.41Å; V17-I21 PolarHBondContact O-N 3.36Å
18	I	78.4	Confident	67.5	Low	74 Å²	74	104.5 Å²	104.5	38%	0.379	55%	0.549	S	S	.	.	H	α-helix	trans	-61.6	-46.7	176.5	-68.9	171.2	0	0	0	110.6	I14 F15 S20 I21 L22	I14-I18 HydrophobicContact CG2-CD1 3.64Å; I14-I18 HydrophobicContact CG2-CG1 4.31Å; I14-I18 WeakPolarHBondContact O-CG1 3.47Å; I14-I18 PolarHBondContact O-N 3.01Å; F15-I18 PolarHBondContact O-N 3.02Å; I18-S20 VanDerWaalsContact C-N 3.31Å; I18-S20 PolarHBondContact O-N 2.78Å; I18-I21 PolarHBondContact O-N 3.01Å; I18-L22 HydrophobicContact CG2-CD1 3.89Å; I18-L22 HydrophobicContact CG2-CG 4.46Å; I18-L22 WeakPolarHBondContact O-CG 3.5Å; I18-L22 PolarHBondContact O-N 2.79Å
19	V	75.8	Confident	67	Low	57 Å²	57	101.4 Å²	101.4	35%	0.345	55%	0.548	S	S	.	.	H	α-helix	trans	-61.4	-39.2	175.2	168.8	0	0	0	0	111.2	F15 I21 L22 L23	F15-V19 HydrophobicContact CD1-CG2 3.81Å; F15-V19 HydrophobicContact CE1-CG2 3.63Å; F15-V19 HydrophobicContact CZ-CG2 4.38Å; F15-V19 WeakPolarHBondContact O-CB 3.32Å; F15-V19 VanDerWaalsContact O-CG2 3.27Å; F15-V19 WeakPolarHBondContact O-CG2 3.09Å; F15-V19 PolarHBondContact O-N 3.3Å; V19-I21 VanDerWaalsContact C-N 3.34Å; V19-I21 PolarHBondContact O-N 3.22Å; V19-L22 PolarHBondContact O-N 2.86Å; V19-L23 HydrophobicContact CG1-CD1 3.77Å; V19-L23 HydrophobicContact CG1-CG 4.38Å; V19-L23 WeakPolarHBondContact O-CB 3.48Å; V19-L23 VanDerWaalsContact O-CG 3.29Å; V19-L23 WeakPolarHBondContact O-CG 3.46Å; V19-L23 PolarHBondContact O-N 3.18Å
20	S	71.2	Confident	67	Low	57 Å²	57	97.7 Å²	97.7	40%	0.399	53%	0.528	S	S	.	.	H	α-helix	trans	-67.3	-32.5	176	-61.6	0	0	0	0	113.2	V16 V17 I18 K24	V16-S20 VanDerWaalsContact O-CB 3.24Å; V16-S20 WeakPolarHBondContact O-CB 3.36Å; V16-S20 PolarHBondContact O-N 3.38Å; V16-S20 PolarHBondContact O-OG 3.42Å; V17-S20 WeakPolarHBondContact O-CB 3.1Å; V17-S20 PolarHBondContact O-N 3.17Å; I18-S20 VanDerWaalsContact C-N 3.31Å; I18-S20 PolarHBondContact O-N 2.78Å; S20-K24 WeakPolarHBondContact O-CB 3.26Å; S20-K24 WeakPolarHBondContact O-CG 3.15Å; S20-K24 PolarHBondContact O-N 3Å; S20-K24 VanDerWaalsContact O-N 3.14Å
21	I	68.5	Low	67	Low	98 Å²	98	93.2 Å²	93.2	50%	0.503	52%	0.517	S	S	.	.	H	α-helix	trans	-72	-45.8	174.3	-69.9	164.8	0	0	0	110	V17 I18 V19 L23 K24 T25	V17-I21 HydrophobicContact CG1-CD1 3.83Å; V17-I21 VanDerWaalsContact O-CG1 3.31Å; V17-I21 WeakPolarHBondContact O-CG1 3.41Å; V17-I21 PolarHBondContact O-N 3.36Å; I18-I21 PolarHBondContact O-N 3.01Å; V19-I21 VanDerWaalsContact C-N 3.34Å; V19-I21 PolarHBondContact O-N 3.22Å; I21-L23 PolarHBondContact O-N 3.41Å; I21-K24 CarbonylContact O-C 3.6Å; I21-K24 PolarHBondContact O-N 3.27Å; I21-K24 VanDerWaalsContact O-N 3.11Å; I21-T25 PolarHBondContact O-N 3.48Å; I21-T25 PolarHBondContact O-OG1 2.88Å
22	L	61.6	Low	67.3	Low	102 Å²	102	92.9 Å²	92.9	53%	0.534	51%	0.514	S	S	.	.	H	α-helix	trans	-64.2	-37.7	177.3	-70	170	0	0	0	112.8	I18 V19 K24 T25 C26	I18-L22 HydrophobicContact CG2-CD1 3.89Å; I18-L22 HydrophobicContact CG2-CG 4.46Å; I18-L22 WeakPolarHBondContact O-CG 3.5Å; I18-L22 PolarHBondContact O-N 2.79Å; V19-L22 PolarHBondContact O-N 2.86Å; L22-K24 VanDerWaalsContact C-N 3.33Å; L22-T25 WeakPolarHBondContact CA-OG1 3.48Å; L22-T25 PolarHBondContact O-N 2.92Å; L22-T25 PolarHBondContact O-OG1 3.22Å; L22-T25 VanDerWaalsContact O-OG1 3.11Å; L22-C26 PolarHBondContact O-N 2.94Å; L22-C26 PolarHBondContact O-SG 3.25Å
23	L	54.7	Low	67.8	Low	122 Å²	122	95 Å²	95	64%	0.639	52%	0.516	S	S	*	.	H	α-helix	trans	-66.3	-34.8	171.9	-76.7	166.6	0	0	0	112	V19 I21	V19-L23 HydrophobicContact CG1-CD1 3.77Å; V19-L23 HydrophobicContact CG1-CG 4.38Å; V19-L23 WeakPolarHBondContact O-CB 3.48Å; V19-L23 VanDerWaalsContact O-CG 3.29Å; V19-L23 WeakPolarHBondContact O-CG 3.46Å; V19-L23 PolarHBondContact O-N 3.18Å; I21-L23 PolarHBondContact O-N 3.41Å
24	K	47.9	Very low	68	Low	168 Å²	168	93.4 Å²	93.4	73%	0.73	50%	0.503	S	S	*	.	H	α-helix	trans	-73	-32.9	174.8	-82.5	-178.5	175	-178.8	0	113.5	S20 I21 L22 A27	S20-K24 WeakPolarHBondContact O-CB 3.26Å; S20-K24 WeakPolarHBondContact O-CG 3.15Å; S20-K24 PolarHBondContact O-N 3Å; S20-K24 VanDerWaalsContact O-N 3.14Å; I21-K24 CarbonylContact O-C 3.6Å; I21-K24 PolarHBondContact O-N 3.27Å; I21-K24 VanDerWaalsContact O-N 3.11Å; L22-K24 VanDerWaalsContact C-N 3.33Å; K24-A27 PolarHBondContact O-N 2.89Å
25	T	46.8	Very low	68.2	Low	100 Å²	100	90.3 Å²	90.3	61%	0.613	49%	0.487	S	S	*	.	H	α-helix	trans	-77.1	-20.9	177.7	53.1	0	0	0	0	113.5	I21 L22 A27	I21-T25 PolarHBondContact O-N 3.48Å; I21-T25 PolarHBondContact O-OG1 2.88Å; L22-T25 WeakPolarHBondContact CA-OG1 3.48Å; L22-T25 PolarHBondContact O-N 2.92Å; L22-T25 PolarHBondContact O-OG1 3.22Å; L22-T25 VanDerWaalsContact O-OG1 3.11Å; T25-A27 VanDerWaalsContact C-N 3.32Å
26	C	42.8	Very low	68.4	Low	102 Å²	102	87.6 Å²	87.6	69%	0.689	48%	0.476	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79.5	-9.5	172.1	-65.8	0	0	0	0	114.1	L22 T28	L22-C26 PolarHBondContact O-N 2.94Å; L22-C26 PolarHBondContact O-SG 3.25Å; C26-T28 PolarHBondContact O-N 3.37Å
27	A	42.3	Very low	68.7	Low	58 Å²	58	90.6 Å²	90.6	48%	0.479	48%	0.478	S	S	.	.	S	Bend	trans	-82.1	100.9	172.2	0	0	0	0	0	110	K24 T25 N29	K24-A27 PolarHBondContact O-N 2.89Å; T25-A27 VanDerWaalsContact C-N 3.32Å; A27-N29 VanDerWaalsContact C-N 3.26Å; A27-N29 PolarHBondContact O-N 3.38Å
28	T	54.1	Low	68.9	Low	108 Å²	108	87.4 Å²	87.4	66%	0.663	46%	0.459	S	S	*	.			trans	-71.8	70.5	-175.9	46.5	0	0	0	0	113.3	C26 L30	C26-T28 PolarHBondContact O-N 3.37Å; T28-L30 PolarHBondContact O-N 3.18Å
29	N	61.2	Low	69.2	Low	136 Å²	136	84.3 Å²	84.3	73%	0.727	44%	0.443	S	S	*	.			trans	-60.8	133.2	168.4	-82.5	-29.9	0	0	0	110.7	A27 T31	A27-N29 VanDerWaalsContact C-N 3.26Å; A27-N29 PolarHBondContact O-N 3.38Å; N29-T31 PolarHBondContact O-N 3.16Å; N29-T31 VanDerWaalsContact O-N 3.08Å
30	L	72.6	Confident	69.7	Low	32 Å²	32	87.6 Å²	87.6	17%	0.168	46%	0.455	C	S	.	.			trans	-72.5	100.6	-174.6	-169.5	56.7	0	0	0	110.9	T28 R34 P56 H164 S470	T28-L30 PolarHBondContact O-N 3.18Å; L30-R34 HydrophobicContact CD1-CB 4.35Å; L30-P56 HydrophobicContact CB-CB 4.48Å; L30-P56 HydrophobicContact CB-CG 4.49Å; L30-P56 HydrophobicContact CD2-CB 3.8Å; L30-P56 HydrophobicContact CG-CB 4.06Å; L30-H164 HydrophobicContact CB-CB 4.3Å; L30-H164 HydrophobicContact CD2-CB 3.92Å; L30-S470 VanDerWaalsContact CD1-O 3.25Å; L30-S470 WeakPolarHBondContact CD1-O 3.35Å
31	T	79.5	Confident	70.5	Confident	66 Å²	66	87.9 Å²	87.9	41%	0.405	45%	0.45	S	S	.	.			trans	-76.1	150.6	-177.1	68.2	0	0	0	0	112.2	N29 E33 R34 C35	N29-T31 PolarHBondContact O-N 3.16Å; N29-T31 VanDerWaalsContact O-N 3.08Å; T31-E33 PolarHBondContact O-N 2.66Å; T31-R34 PolarHBondContact O-N 3.16Å; T31-R34 VanDerWaalsContact O-N 3.09Å; T31-R34 WeakPolarHBondContact OG1-CG 3.43Å; T31-R34 PolarHBondContact OG1-N 3Å; T31-C35 PolarHBondContact O-N 3.16Å
32	K	81.5	Confident	71.2	Confident	126 Å²	126	83.2 Å²	83.2	55%	0.548	43%	0.426	S	S	.	.	H	α-helix	trans	-53.4	-40.7	174.9	-174.5	178.7	178.6	178.4	0	111.8	C35 Q36 L55	K32-C35 PolarHBondContact O-N 3.48Å; K32-Q36 HydrophobicContact CG-CG 4.41Å; K32-Q36 WeakPolarHBondContact O-CG 3.37Å; K32-Q36 PolarHBondContact O-N 3.03Å; K32-L55 HydrophobicContact CG-CB 4.47Å
33	E	82.8	Confident	72.4	Confident	115 Å²	115	81.2 Å²	81.2	54%	0.537	42%	0.415	S	S	.	.	H	α-helix	trans	-60.4	-44.1	176.5	-68.7	-178	-146.9	0	0	113.7	T31 C35 Q36 R37	T31-E33 PolarHBondContact O-N 2.66Å; E33-C35 VanDerWaalsContact C-N 3.31Å; E33-C35 PolarHBondContact O-N 2.93Å; E33-Q36 PolarHBondContact O-N 3.28Å; E33-R37 WeakPolarHBondContact O-CG 3.34Å; E33-R37 PolarHBondContact O-N 2.77Å; E33-R37 IonicContact OE2-NH2 2.94Å; E33-R37 PolarHBondContact OE2-NH2 2.65Å
34	R	84	Confident	73.9	Confident	78 Å²	78	80 Å²	80	29%	0.294	42%	0.418	S	S	.	.	H	α-helix	trans	-58.7	-45.8	177.4	-80.5	171.4	169.5	-113.9	11.5	110.2	L30 T31 R37 A38 G471 E472	L30-R34 HydrophobicContact CD1-CB 4.35Å; T31-R34 PolarHBondContact O-N 3.16Å; T31-R34 VanDerWaalsContact O-N 3.09Å; T31-R34 WeakPolarHBondContact OG1-CG 3.43Å; T31-R34 PolarHBondContact OG1-N 3Å; R34-R37 PolarHBondContact O-N 3.38Å; R34-A38 PolarHBondContact O-N 2.92Å; R34-G471 WeakPolarHBondContact CD-O 3.17Å; R34-G471 PolarHBondContact NH1-O 3.41Å; R34-E472 IonicContact CZ-OE1 3.73Å; R34-E472 VanDerWaalsContact NH1-CD 3.29Å; R34-E472 IonicContact NH1-OE1 3.68Å; R34-E472 PolarHBondContact NH1-OE1 2.94Å; R34-E472 IonicContact NH1-OE2 2.71Å; R34-E472 IonicContact NH2-OE1 3.58Å
35	C	84.6	Confident	75.6	Confident	0 Å²	0	73.5 Å²	73.5	0%	0	39%	0.39	C	S	.	.	H	α-helix	trans	-69.3	-33	176.3	-66.2	0	0	0	0	114.2	T31 K32 E33 A38 V39 L55 C166	T31-C35 PolarHBondContact O-N 3.16Å; K32-C35 PolarHBondContact O-N 3.48Å; E33-C35 VanDerWaalsContact C-N 3.31Å; E33-C35 PolarHBondContact O-N 2.93Å; C35-A38 PolarHBondContact O-N 3.31Å; C35-V39 WeakPolarHBondContact O-CG2 3.48Å; C35-V39 PolarHBondContact O-N 3.28Å; C35-L55 HydrophobicContact CB-CB 4.18Å; C35-L55 HydrophobicContact CB-CD1 4.22Å; C35-L55 HydrophobicContact CB-CD2 4.01Å; C35-L55 HydrophobicContact CB-CG 4.38Å; C35-C166 WeakPolarHBondContact CA-SG 3.36Å; C35-C166 HydrophobicContact CB-CB 3.59Å; C35-C166 WeakPolarHBondContact CB-SG 3.1Å; C35-C166 WeakPolarHBondContact SG-CA 3.45Å; C35-C166 WeakPolarHBondContact SG-CB 3.29Å; C35-C166 CovalentContact SG-SG 2.04Å; C35-C166 PolarHBondContact SG-SG 2.93Å
36	Q	85.9	Confident	77.3	Confident	85 Å²	85	71.9 Å²	71.9	40%	0.397	39%	0.393	S	S	.	.	H	α-helix	trans	-64.7	-40	173.9	-76	176.9	-59.8	0	0	111.6	K32 E33 V39 Q40 L55	K32-Q36 HydrophobicContact CG-CG 4.41Å; K32-Q36 WeakPolarHBondContact O-CG 3.37Å; K32-Q36 PolarHBondContact O-N 3.03Å; E33-Q36 PolarHBondContact O-N 3.28Å; Q36-V39 PolarHBondContact O-N 3.07Å; Q36-Q40 WeakPolarHBondContact O-CB 3.38Å; Q36-Q40 VanDerWaalsContact O-CG 3.22Å; Q36-Q40 WeakPolarHBondContact O-CG 3.37Å; Q36-Q40 PolarHBondContact O-N 3.1Å; Q36-L55 HydrophobicContact CG-CD1 4.24Å
37	R	85.7	Confident	79.1	Confident	149 Å²	149	68.5 Å²	68.5	56%	0.562	37%	0.368	S	S	*	.	H	α-helix	trans	-63.4	-44.5	172	-64	173.9	-149.9	-177.8	6.9	111.3	E33 R34 V39 Q40 E41	E33-R37 WeakPolarHBondContact O-CG 3.34Å; E33-R37 PolarHBondContact O-N 2.77Å; E33-R37 IonicContact OE2-NH2 2.94Å; E33-R37 PolarHBondContact OE2-NH2 2.65Å; R34-R37 PolarHBondContact O-N 3.38Å; R37-V39 PolarHBondContact O-N 2.67Å; R37-Q40 PolarHBondContact O-N 3.42Å; R37-E41 WeakPolarHBondContact O-CB 3.26Å; R37-E41 PolarHBondContact O-N 3.23Å
38	A	85.2	Confident	80.6	Confident	3 Å²	3	70.8 Å²	70.8	3%	0.025	38%	0.381	C	S	.	.	H	α-helix	trans	-59.3	-42.4	177.5	0	0	0	0	0	113.2	R34 C35 A42 C166 L468	R34-A38 PolarHBondContact O-N 2.92Å; C35-A38 PolarHBondContact O-N 3.31Å; A38-A42 PolarHBondContact O-N 3.13Å; A38-A42 VanDerWaalsContact O-N 3.09Å; A38-C166 HydrophobicContact CB-CB 4.08Å; A38-L468 HydrophobicContact CB-CD1 3.94Å; A38-L468 HydrophobicContact CB-CG 3.95Å; A38-L468 WeakPolarHBondContact CB-O 3.34Å
39	V	85.1	Confident	81.7	Confident	9 Å²	9	66.8 Å²	66.8	6%	0.055	35%	0.354	C	S	.	.	H	α-helix	trans	-68	-43.6	174.6	170	0	0	0	0	111.3	C35 Q36 R37 E41 A42 L43 F49 L55 M171	C35-V39 WeakPolarHBondContact O-CG2 3.48Å; C35-V39 PolarHBondContact O-N 3.28Å; Q36-V39 PolarHBondContact O-N 3.07Å; R37-V39 PolarHBondContact O-N 2.67Å; V39-E41 VanDerWaalsContact C-N 3.3Å; V39-E41 PolarHBondContact O-N 3.1Å; V39-A42 PolarHBondContact O-N 3.49Å; V39-L43 HydrophobicContact CG1-CD1 3.93Å; V39-L43 HydrophobicContact CG1-CG 4.41Å; V39-L43 VanDerWaalsContact O-CG 3.27Å; V39-L43 WeakPolarHBondContact O-CG 3.12Å; V39-L43 PolarHBondContact O-N 3.41Å; V39-F49 HydrophobicContact CG1-CE2 4.13Å; V39-F49 HydrophobicContact CG1-CZ 4.14Å; V39-L55 HydrophobicContact CG2-CD1 4.31Å; V39-M171 HydrophobicContact CG2-CE 4.4Å; V39-M171 HydrophobicContact CG2-SD 4.23Å
40	Q	86.6	Confident	82.1	Confident	126 Å²	126	64 Å²	64	59%	0.589	34%	0.343	S	S	*	.	H	α-helix	trans	-60.3	-38.8	175.6	-75.9	169.8	-14.4	0	0	112.5	Q36 R37 L43 S44	Q36-Q40 WeakPolarHBondContact O-CB 3.38Å; Q36-Q40 VanDerWaalsContact O-CG 3.22Å; Q36-Q40 WeakPolarHBondContact O-CG 3.37Å; Q36-Q40 PolarHBondContact O-N 3.1Å; R37-Q40 PolarHBondContact O-N 3.42Å; Q40-L43 PolarHBondContact O-N 3.28Å; Q40-S44 WeakPolarHBondContact O-CB 3.09Å; Q40-S44 PolarHBondContact O-N 2.93Å
41	E	86.3	Confident	82	Confident	62 Å²	62	68.8 Å²	68.8	29%	0.29	37%	0.365	S	S	.	.	H	α-helix	trans	-68.2	-43.3	177.3	178.3	154.3	-133.9	0	0	111.3	R37 V39 L43 S44 M45 L468 L474	R37-E41 WeakPolarHBondContact O-CB 3.26Å; R37-E41 PolarHBondContact O-N 3.23Å; V39-E41 VanDerWaalsContact C-N 3.3Å; V39-E41 PolarHBondContact O-N 3.1Å; E41-L43 PolarHBondContact O-N 2.96Å; E41-S44 WeakPolarHBondContact CA-OG 3.5Å; E41-S44 PolarHBondContact O-N 3.03Å; E41-S44 PolarHBondContact O-OG 3.05Å; E41-M45 HydrophobicContact CG-CE 4.01Å; E41-M45 WeakPolarHBondContact O-CG 3.48Å; E41-M45 PolarHBondContact O-N 3.21Å; E41-L468 HydrophobicContact CB-CD1 4.04Å; E41-L468 HydrophobicContact CG-CD1 3.93Å; E41-L468 VanDerWaalsContact OE2-CD1 3.23Å; E41-L468 WeakPolarHBondContact OE2-CD1 3.33Å; E41-L474 VanDerWaalsContact CD-CB 3.5Å; E41-L474 VanDerWaalsContact OE1-CB 3.25Å; E41-L474 WeakPolarHBondContact OE1-CB 3.28Å
42	A	85.1	Confident	81.5	Confident	0 Å²	0	67 Å²	67	0%	0	35%	0.354	C	S	.	.	H	α-helix	trans	-63.8	-35.6	172.1	0	0	0	0	0	113.8	A38 V39 M45 L47 F49 M171 L175 L468	A38-A42 PolarHBondContact O-N 3.13Å; A38-A42 VanDerWaalsContact O-N 3.09Å; V39-A42 PolarHBondContact O-N 3.49Å; A42-M45 WeakPolarHBondContact O-CB 3.44Å; A42-M45 PolarHBondContact O-N 2.91Å; A42-L47 HydrophobicContact CB-CD1 4.32Å; A42-L47 WeakPolarHBondContact O-CB 3.09Å; A42-L47 PolarHBondContact O-N 2.7Å; A42-F49 HydrophobicContact CB-CE1 4.01Å; A42-F49 HydrophobicContact CB-CZ 4.04Å; A42-M171 HydrophobicContact CB-CE 3.6Å; A42-M171 HydrophobicContact CB-CG 4.26Å; A42-M171 HydrophobicContact CB-SD 4.42Å; A42-L175 HydrophobicContact CB-CD2 4.43Å; A42-L468 HydrophobicContact CB-CD2 4.17Å
43	L	86	Confident	80.7	Confident	60 Å²	60	70 Å²	70	31%	0.314	37%	0.37	S	S	.	.	H	α-helix	trans	-67.6	-41.2	172.6	-68.1	168.7	0	0	0	111.1	V39 Q40 E41 M45 G46 F49	V39-L43 HydrophobicContact CG1-CD1 3.93Å; V39-L43 HydrophobicContact CG1-CG 4.41Å; V39-L43 VanDerWaalsContact O-CG 3.27Å; V39-L43 WeakPolarHBondContact O-CG 3.12Å; V39-L43 PolarHBondContact O-N 3.41Å; Q40-L43 PolarHBondContact O-N 3.28Å; E41-L43 PolarHBondContact O-N 2.96Å; L43-M45 PolarHBondContact O-N 3.47Å; L43-G46 PolarHBondContact O-N 3.35Å; L43-F49 HydrophobicContact CD2-CD1 4.5Å; L43-F49 HydrophobicContact CD2-CE1 3.94Å; L43-F49 HydrophobicContact CD2-CZ 4.1Å; L43-F49 HydrophobicContact CG-CE1 4.31Å; L43-F49 HydrophobicContact CG-CZ 4.16Å
44	S	86.3	Confident	80.1	Confident	98 Å²	98	72.1 Å²	72.1	69%	0.685	38%	0.378	S	S	*	.	H	α-helix	trans	-65.5	-22	175.5	79.5	0	0	0	0	113.5	Q40 E41 G46	Q40-S44 WeakPolarHBondContact O-CB 3.09Å; Q40-S44 PolarHBondContact O-N 2.93Å; E41-S44 WeakPolarHBondContact CA-OG 3.5Å; E41-S44 PolarHBondContact O-N 3.03Å; E41-S44 PolarHBondContact O-OG 3.05Å; S44-G46 PolarHBondContact O-N 2.86Å
45	M	82.9	Confident	79.5	Confident	31 Å²	31	70 Å²	70	15%	0.153	37%	0.372	C	S	.	.	T	Hydrogen-bonded Turn	trans	-72.7	-7.3	171	-75.8	-169.4	-156.5	0	0	114.4	E41 A42 L43 L175 K178 Y465 L468 L474	E41-M45 HydrophobicContact CG-CE 4.01Å; E41-M45 WeakPolarHBondContact O-CG 3.48Å; E41-M45 PolarHBondContact O-N 3.21Å; A42-M45 WeakPolarHBondContact O-CB 3.44Å; A42-M45 PolarHBondContact O-N 2.91Å; L43-M45 PolarHBondContact O-N 3.47Å; M45-L175 HydrophobicContact SD-CD2 3.9Å; M45-K178 HydrophobicContact CB-CD 4.19Å; M45-K178 VanDerWaalsContact CB-NZ 3.34Å; M45-K178 PolarHBondContact O-NZ 3.06Å; M45-K178 HydrophobicContact SD-CD 4.17Å; M45-Y465 HydrophobicContact CE-CD1 4.1Å; M45-Y465 HydrophobicContact CE-CE1 3.58Å; M45-Y465 HydrophobicContact SD-CD1 4.39Å; M45-Y465 HydrophobicContact SD-CE1 3.63Å; M45-L468 HydrophobicContact CE-CD2 4.49Å; M45-L474 HydrophobicContact CE-CD1 4Å; M45-L474 HydrophobicContact CE-CD2 3.46Å; M45-L474 VanDerWaalsContact CE-CD2 3.46Å; M45-L474 HydrophobicContact CE-CG 4.32Å
46	G	81.8	Confident	78.8	Confident	66 Å²	66	71.7 Å²	71.7	68%	0.68	38%	0.383	S	S	*	.	T	Hydrogen-bonded Turn	trans	93.5	13.9	-179.7	0	0	0	0	0	115.1	L43 S44	L43-G46 PolarHBondContact O-N 3.35Å; S44-G46 PolarHBondContact O-N 2.86Å
47	L	81.1	Confident	78.1	Confident	31 Å²	31	69.6 Å²	69.6	16%	0.162	37%	0.374	C	S	.	.			trans	-85.4	136.5	-179.5	-58.9	176.8	0	0	0	111.7	A42 F49 G174 L175	A42-L47 HydrophobicContact CB-CD1 4.32Å; A42-L47 WeakPolarHBondContact O-CB 3.09Å; A42-L47 PolarHBondContact O-N 2.7Å; L47-F49 HydrophobicContact CB-CD1 4.03Å; L47-F49 HydrophobicContact CB-CE1 4.03Å; L47-G174 WeakPolarHBondContact CD2-O 3.45Å; L47-L175 HydrophobicContact CD1-CB 4.44Å; L47-L175 HydrophobicContact CD1-CD2 3.68Å; L47-L175 HydrophobicContact CD1-CG 3.7Å
48	S	75.3	Confident	77.2	Confident	106 Å²	106	68.2 Å²	68.2	74%	0.741	37%	0.372	S	S	*	.			trans	-105.1	123.5	170.8	49.1	0	0	0	0	110.8
49	F	75.9	Confident	76.2	Confident	24 Å²	24	70.1 Å²	70.1	11%	0.105	38%	0.382	C	S	.	.			trans	-157.1	151.2	175.5	54.8	-86	0	0	0	109.8	V39 A42 L43 L47 Q51 Q170 M171	V39-F49 HydrophobicContact CG1-CE2 4.13Å; V39-F49 HydrophobicContact CG1-CZ 4.14Å; A42-F49 HydrophobicContact CB-CE1 4.01Å; A42-F49 HydrophobicContact CB-CZ 4.04Å; L43-F49 HydrophobicContact CD2-CD1 4.5Å; L43-F49 HydrophobicContact CD2-CE1 3.94Å; L43-F49 HydrophobicContact CD2-CZ 4.1Å; L43-F49 HydrophobicContact CG-CE1 4.31Å; L43-F49 HydrophobicContact CG-CZ 4.16Å; L47-F49 HydrophobicContact CB-CD1 4.03Å; L47-F49 HydrophobicContact CB-CE1 4.03Å; F49-Q51 PolarHBondContact O-N 3.37Å; F49-Q170 HydrophobicContact CB-CB 4.4Å; F49-M171 HydrophobicContact CD1-CB 4.47Å; F49-M171 HydrophobicContact CD2-CB 4.2Å; F49-M171 HydrophobicContact CE1-CB 4.47Å; F49-M171 HydrophobicContact CE1-CG 4.13Å; F49-M171 HydrophobicContact CE2-CB 4.18Å; F49-M171 HydrophobicContact CE2-CG 4.16Å; F49-M171 HydrophobicContact CE2-SD 3.91Å; F49-M171 HydrophobicContact CG-CB 4.35Å; F49-M171 HydrophobicContact CZ-CB 4.33Å; F49-M171 HydrophobicContact CZ-CG 3.9Å; F49-M171 HydrophobicContact CZ-SD 3.84Å
50	P	70.8	Confident	74.7	Confident	76 Å²	76	75.1 Å²	75.1	49%	0.494	41%	0.408	S	S	.	.	P	Polyproline II helix	trans	-63.4	130.7	172.7	27.5	-34.7	0	0	0	110.2	Q170	P50-Q170 VanDerWaalsContact CD-OE1 3.25Å
51	Q	69.7	Low	72.8	Confident	133 Å²	133	73.7 Å²	73.7	62%	0.621	41%	0.41	S	S	*	.	P	Polyproline II helix	trans	-73.4	131.7	-179.2	-63.9	-177.1	9.8	0	0	110.3	F49 E53	F49-Q51 PolarHBondContact O-N 3.37Å; Q51-E53 PolarHBondContact O-N 3.43Å
52	P	69.8	Low	70.4	Confident	28 Å²	28	75 Å²	75	18%	0.182	42%	0.422	C	S	.	.	P	Polyproline II helix	trans	-70.7	126.3	179.8	27.9	-34.6	0	0	0	111.5	K54 L55 M57 T168	P52-K54 PolarHBondContact O-N 3.06Å; P52-K54 VanDerWaalsContact O-N 3.16Å; P52-L55 HydrophobicContact CB-CD2 4.4Å; P52-L55 HydrophobicContact CG-CD1 4.43Å; P52-L55 HydrophobicContact CG-CD2 3.6Å; P52-L55 HydrophobicContact CG-CG 4.01Å; P52-M57 HydrophobicContact CB-CE 4.23Å; P52-M57 HydrophobicContact CB-CG 4.46Å; P52-M57 HydrophobicContact CB-SD 3.75Å; P52-M57 HydrophobicContact CG-CE 4.04Å; P52-M57 HydrophobicContact CG-SD 4.23Å; P52-T168 HydrophobicContact CB-CG2 4.01Å; P52-T168 HydrophobicContact CG-CG2 4.04Å
53	E	64.6	Low	68	Low	189 Å²	189	76.7 Å²	76.7	88%	0.883	43%	0.432	S	S	*	.	S	Bend	trans	-59.2	-27.5	179.2	-60.1	-175.5	156.2	0	0	113.7	Q51	Q51-E53 PolarHBondContact O-N 3.43Å
54	K	68.4	Low	65.5	Low	160 Å²	160	80.7 Å²	80.7	70%	0.696	45%	0.45	S	S	*	.	S	Bend	trans	-123.9	118.6	-174.7	-67.6	173.4	-175.2	167.1	0	109.8	P52 M57	P52-K54 PolarHBondContact O-N 3.06Å; P52-K54 VanDerWaalsContact O-N 3.16Å; K54-M57 WeakPolarHBondContact O-CG 3.45Å
55	L	72	Confident	62.9	Low	33 Å²	33	80.3 Å²	80.3	17%	0.173	45%	0.447	C	S	.	.	S	Bend	trans	-129.1	132.6	178.4	-74.6	175.6	0	0	0	110.2	K32 C35 Q36 V39 P52 M57	K32-L55 HydrophobicContact CG-CB 4.47Å; C35-L55 HydrophobicContact CB-CB 4.18Å; C35-L55 HydrophobicContact CB-CD1 4.22Å; C35-L55 HydrophobicContact CB-CD2 4.01Å; C35-L55 HydrophobicContact CB-CG 4.38Å; Q36-L55 HydrophobicContact CG-CD1 4.24Å; V39-L55 HydrophobicContact CG2-CD1 4.31Å; P52-L55 HydrophobicContact CB-CD2 4.4Å; P52-L55 HydrophobicContact CG-CD1 4.43Å; P52-L55 HydrophobicContact CG-CD2 3.6Å; P52-L55 HydrophobicContact CG-CG 4.01Å; L55-M57 HydrophobicContact CD2-CE 4.08Å
56	P	70.5	Confident	60.7	Low	37 Å²	37	83.8 Å²	83.8	24%	0.24	46%	0.463	C	S	.	.	S	Bend	cis	-72.3	158.1	-6.1	33.3	-37.9	0	0	0	112.8	L30 H164	L30-P56 HydrophobicContact CB-CB 4.48Å; L30-P56 HydrophobicContact CB-CG 4.49Å; L30-P56 HydrophobicContact CD2-CB 3.8Å; L30-P56 HydrophobicContact CG-CB 4.06Å; P56-H164 HydrophobicContact CB-CB 4Å; P56-H164 HydrophobicContact CG-CB 4.11Å
57	M	70.4	Confident	58.4	Low	41 Å²	41	86 Å²	86	20%	0.202	46%	0.455	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.5	153.4	173.5	-69.7	167.1	-74.6	0	0	110.5	P52 K54 L55 H164 T165 C166 C167 T168	P52-M57 HydrophobicContact CB-CE 4.23Å; P52-M57 HydrophobicContact CB-CG 4.46Å; P52-M57 HydrophobicContact CB-SD 3.75Å; P52-M57 HydrophobicContact CG-CE 4.04Å; P52-M57 HydrophobicContact CG-SD 4.23Å; K54-M57 WeakPolarHBondContact O-CG 3.45Å; L55-M57 HydrophobicContact CD2-CE 4.08Å; M57-H164 CarbonylContact O-C 3.6Å; M57-H164 WeakPolarHBondContact O-CA 3.42Å; M57-H164 PolarHBondContact O-ND1 3.19Å; M57-T165 HydrophobicContact CB-CG2 4.3Å; M57-T165 PolarHBondContact N-O 3.38Å; M57-T165 PolarHBondContact O-N 2.9Å; M57-C166 VanDerWaalsContact CE-O 3.3Å; M57-C166 WeakPolarHBondContact CE-O 3.38Å; M57-C167 VanDerWaalsContact CE-O 3.3Å; M57-C167 WeakPolarHBondContact CE-O 3.41Å; M57-T168 HydrophobicContact CE-CG2 3.89Å; M57-T168 HydrophobicContact SD-CG2 3.74Å
58	F	66.9	Low	56	Low	120 Å²	120	95.4 Å²	95.4	53%	0.526	49%	0.489	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.6	131.3	-179.2	-178.4	-104.1	0	0	0	111.3	N60 K163 H164	F58-N60 HydrophobicContact CD1-CB 4.11Å; F58-N60 HydrophobicContact CE1-CB 3.87Å; F58-K163 WeakPolarHBondContact CA-O 3.31Å; F58-K163 HydrophobicContact CD2-CB 4.33Å; F58-K163 WeakPolarHBondContact CD2-O 3.49Å; F58-K163 HydrophobicContact CE2-CB 4.01Å; F58-K163 HydrophobicContact CE2-CG 4.46Å; F58-H164 AromaticContact CD2-CE1 3.71Å
59	L	63.9	Low	54	Low	43 Å²	43	98.5 Å²	98.5	23%	0.225	49%	0.491	C	S	.	.	P	Polyproline II helix	trans	-98	118	175	-65.9	177.6	0	0	0	109.4	Y155 L161 K163 T165	L59-Y155 HydrophobicContact CD1-CD2 3.87Å; L59-L161 HydrophobicContact CB-CD2 4.37Å; L59-K163 PolarHBondContact N-O 3.19Å; L59-T165 HydrophobicContact CD1-CG2 4.12Å; L59-T165 HydrophobicContact CD2-CG2 4.05Å; L59-T165 HydrophobicContact CG-CG2 3.98Å
60	N	54.7	Low	52	Low	114 Å²	114	105.9 Å²	105.9	61%	0.61	53%	0.526	S	S	*	.			trans	-106.2	111.9	-173.7	-157.9	9.6	0	0	0	110.6	F58 T62	F58-N60 HydrophobicContact CD1-CB 4.11Å; F58-N60 HydrophobicContact CE1-CB 3.87Å; N60-T62 VanDerWaalsContact C-N 3.33Å; N60-T62 PolarHBondContact O-N 3.39Å; N60-T62 PolarHBondContact OD1-OG1 2.89Å
61	P	46.3	Very low	50	Low	95 Å²	95	110.6 Å²	110.6	62%	0.617	54%	0.541	S	S	*	.			trans	-86.8	6.9	-168.8	34.6	-37.6	0	0	0	114.8	L161	P61-L161 HydrophobicContact CB-CD2 4.46Å
62	T	35.9	Very low	48.1	Very low	89 Å²	89	110.7 Å²	110.7	55%	0.546	55%	0.551	S	S	.	*	T	Hydrogen-bonded Turn	trans	-86.8	114.5	-170.5	37.6	0	0	0	0	112.6	N60	N60-T62 VanDerWaalsContact C-N 3.33Å; N60-T62 PolarHBondContact O-N 3.39Å; N60-T62 PolarHBondContact OD1-OG1 2.89Å
63	T	34.9	Very low	46.4	Very low	36 Å²	36	115.4 Å²	115.4	22%	0.221	58%	0.579	C	S	.	*	T	Hydrogen-bonded Turn	trans	172	-0.5	132.6	34.2	0	0	0	0	113.7	S65 Y106 W108	T63-S65 VanDerWaalsContact C-N 3.27Å; T63-S65 PolarHBondContact O-N 3.19Å; T63-Y106 HydrophobicContact CG2-CD1 3.76Å; T63-Y106 HydrophobicContact CG2-CE1 3.41Å; T63-Y106 VanDerWaalsContact CG2-CE1 3.41Å; T63-W108 VanDerWaalsContact OG1-CE2 3.32Å; T63-W108 WeakPolarHBondContact OG1-CZ2 3.21Å; T63-W108 PolarHBondContact OG1-NE1 3.5Å
64	Q	32.8	Very low	45	Very low	145 Å²	145	115.3 Å²	115.3	68%	0.678	58%	0.579	S	S	*	*	T	Hydrogen-bonded Turn	trans	-67.5	-17.7	175.8	-92.5	-175.1	-0.8	0	0	115.2	W108	Q64-W108 HydrophobicContact CB-CZ2 4.36Å; Q64-W108 HydrophobicContact CG-CE3 4.42Å; Q64-W108 HydrophobicContact CG-CH2 3.72Å; Q64-W108 HydrophobicContact CG-CZ2 3.79Å; Q64-W108 HydrophobicContact CG-CZ3 4.04Å
65	S	32.8	Very low	43.2	Very low	90 Å²	90	115.6 Å²	115.6	63%	0.629	59%	0.588	S	S	*	*	T	Hydrogen-bonded Turn	trans	-89.2	-27.2	-175.2	47.7	0	0	0	0	114.9	T63	T63-S65 VanDerWaalsContact C-N 3.27Å; T63-S65 PolarHBondContact O-N 3.19Å
66	E	36.4	Very low	41.5	Very low	103 Å²	103	119.2 Å²	119.2	48%	0.481	61%	0.614	S	S	.	*	G	3₁₀ helix	trans	-85.2	-23	-167.2	-64.6	179.2	142.8	0	0	113.7	R68 Y106	E66-R68 VanDerWaalsContact C-N 3.29Å; E66-R68 PolarHBondContact O-N 2.98Å; E66-Y106 PolarHBondContact OE2-OH 3.34Å
67	Q	33	Very low	39.8	Very low	112 Å²	112	126.6 Å²	126.6	52%	0.523	65%	0.645	S	S	.	*	G	3₁₀ helix	trans	-80.5	0	-176.2	-67.4	-170.6	-34	0	0	114.8
68	R	31.2	Very low	38	Very low	230 Å²	230	131.7 Å²	131.7	87%	0.868	67%	0.672	S	S	*	*	G	3₁₀ helix	trans	-99.3	0.8	178.2	-75.1	-166.8	179.8	-167.5	1.8	115.7	E66	E66-R68 VanDerWaalsContact C-N 3.29Å; E66-R68 PolarHBondContact O-N 2.98Å
69	Q	34.3	Very low	36.6	Very low	171 Å²	171	131.2 Å²	131.2	80%	0.799	68%	0.684	S	S	*	*	S	Bend	trans	-117.8	-0.5	-176.4	-73.4	-171.4	-37.4	0	0	116
70	H	33.6	Very low	35.3	Very low	178 Å²	178	139.5 Å²	139.5	82%	0.824	71%	0.712	S	S	*	*	S	Bend	trans	-108.9	24	179.8	-80.9	-56.6	0	0	0	115.2
71	Q	28.9	Very low	34.4	Very low	176 Å²	176	139.1 Å²	139.1	82%	0.822	71%	0.71	S	S	*	*	S	Bend	trans	-129.2	57.6	173.1	-73	-169.8	-21.9	0	0	112.6
72	T	29.1	Very low	33.9	Very low	134 Å²	134	142.2 Å²	142.2	82%	0.822	72%	0.721	S	S	*	*			trans	-171.6	73.8	160.1	11.5	0	0	0	0	112.3
73	T	34.2	Very low	33.8	Very low	127 Å²	127	141.9 Å²	141.9	78%	0.779	74%	0.735	S	S	*	*			trans	-161.8	120.5	155.9	-0.8	0	0	0	0	113.3
74	E	34.2	Very low	33.8	Very low	188 Å²	188	151.1 Å²	151.1	88%	0.879	77%	0.766	S	S	*	*			trans	61.9	114.1	144.4	-71.4	165.5	-157.2	0	0	122.6
75	N	30.6	Very low	33.8	Very low	165 Å²	165	149.9 Å²	149.9	88%	0.882	77%	0.768	S	S	*	*			trans	-61.1	175.5	177	-94.6	-26.9	0	0	0	117
76	P	36.2	Very low	33.9	Very low	110 Å²	110	151.1 Å²	151.1	71%	0.714	78%	0.777	S	S	*	*			trans	-122.4	160.8	-146.5	42.5	-33	0	0	0	117.5
77	Q	36.5	Very low	33.7	Very low	191 Å²	191	153.8 Å²	153.8	89%	0.893	80%	0.795	S	S	*	*			trans	-153.7	164.6	148.2	-68.1	-164.5	-1.6	0	0	108.6
78	L	32.8	Very low	33.8	Very low	149 Å²	149	155 Å²	155	78%	0.78	81%	0.81	S	S	*	*			cis	-178.6	138	-37.5	-175.1	78.7	0	0	0	105.5
79	S	36.1	Very low	34	Very low	109 Å²	109	151.6 Å²	151.6	76%	0.762	81%	0.807	S	S	*	*			trans	72.6	158.3	171.4	-51.7	0	0	0	0	118.2
80	R	37.1	Very low	33.8	Very low	217 Å²	217	149.1 Å²	149.1	82%	0.819	80%	0.804	S	S	*	*			cis	-169.3	154	-37	-153.7	-177.2	160.3	134.8	1.7	110.6
81	D	36.5	Very low	33.8	Very low	107 Å²	107	146.3 Å²	146.3	57%	0.572	80%	0.804	S	S	*	*			trans	60.6	94.8	156.6	-71	-39.8	0	0	0	123.7
82	N	34.5	Very low	33.9	Very low	160 Å²	160	144 Å²	144	86%	0.856	80%	0.802	S	S	*	*				51.2	120.7	113	-67	-49.8	0	0	0	124.3
83	G	34.3	Very low	34.2	Very low	81 Å²	81	143.3 Å²	143.3	84%	0.835	80%	0.799	S	S	*	*			trans	149.3	156.9	147.4	0	0	0	0	0	115.2
84	R	34.6	Very low	34.2	Very low	231 Å²	231	142.9 Å²	142.9	87%	0.872	80%	0.795	S	S	*	*			cis	-166.5	119.3	-20.9	-179.9	-179.4	174.6	166.4	0.9	110.8
85	T	33.2	Very low	34.1	Very low	118 Å²	118	140 Å²	140	72%	0.724	79%	0.786	S	S	*	*			trans	32.2	131.4	158.2	64.7	0	0	0	0	123.1
86	S	35.6	Very low	34	Very low	117 Å²	117	140.8 Å²	140.8	82%	0.818	78%	0.784	S	S	*	*				166.7	163.7	108	50	0	0	0	0	114
87	N	31.1	Very low	33.8	Very low	159 Å²	159	143.2 Å²	143.2	85%	0.85	79%	0.791	S	S	*	*			trans	-123.6	144.2	-169.4	-63.6	-23	0	0	0	113.6
88	T	34.6	Very low	33.5	Very low	137 Å²	137	139.1 Å²	139.1	84%	0.84	78%	0.784	S	S	*	*			trans	-172.7	147	157.9	35.2	0	0	0	0	110.4
89	I	35.6	Very low	33.3	Very low	158 Å²	158	143 Å²	143	81%	0.81	79%	0.788	S	S	*	*			cis	-153.5	-139.5	-16.6	-158.6	162.1	0	0	0	110.6
90	T	30.1	Very low	33	Very low	120 Å²	120	146 Å²	146	74%	0.736	80%	0.796	S	S	*	*			trans	-89.4	146.6	-166.2	47.7	0	0	0	0	118.5
91	S	34.5	Very low	32.5	Very low	118 Å²	118	139.7 Å²	139.7	83%	0.825	79%	0.79	S	S	*	*				-153.8	130	121.8	63.6	0	0	0	0	111.7
92	T	31.3	Very low	32	Very low	127 Å²	127	143.7 Å²	143.7	78%	0.779	80%	0.802	S	S	*	*			trans	-79.8	166.3	172.1	47.8	0	0	0	0	110.7
93	T	35.7	Very low	31.8	Very low	121 Å²	121	145 Å²	145	74%	0.742	80%	0.803	S	S	*	*			cis	-163.2	175.5	46.2	43.5	0	0	0	0	112.6
94	V	34.3	Very low	31.5	Very low	118 Å²	118	145.5 Å²	145.5	72%	0.715	79%	0.794	S	S	*	*			trans	87.6	97.1	160.1	-168.2	0	0	0	0	118.8
95	D	30.1	Very low	31.1	Very low	127 Å²	127	141.8 Å²	141.8	68%	0.679	79%	0.791	S	S	*	*			trans	80.7	74.5	132.2	-51.9	3.6	0	0	0	123.4	N97	D95-N97 PolarHBondContact O-N 2.05Å
96	E	30	Very low	30.9	Very low	181 Å²	181	142 Å²	142	85%	0.846	78%	0.779	S	S	*	*				65	-13.4	118.4	-69.3	-165.8	135.8	0	0	123.8
97	N	31.1	Very low	30.5	Very low	161 Å²	161	144.3 Å²	144.3	86%	0.861	78%	0.782	S	S	*	*			trans	-96.4	7.5	179.8	-88.2	-73.8	0	0	0	116.3	D95	D95-N97 PolarHBondContact O-N 2.05Å
98	S	31.4	Very low	30.3	Very low	106 Å²	106	141.5 Å²	141.5	74%	0.741	76%	0.759	S	S	*	*	S	Bend	trans	-101.4	6.1	-168.6	57.9	0	0	0	0	116.7
99	R	28	Very low	30	Very low	229 Å²	229	138 Å²	138	86%	0.864	74%	0.735	S	S	*	*	S	Bend	trans	-91.5	-21.6	-175.8	-90.4	-178	168.2	162.6	-2.8	116.4	A101	R99-A101 PolarHBondContact O-N 2.9Å
100	N	29.5	Very low	29.8	Very low	172 Å²	172	133 Å²	133	92%	0.92	71%	0.714	S	S	*	*	T	Hydrogen-bonded Turn	trans	-87.1	37.6	-171.9	-63.3	1.5	0	0	0	113.7
101	A	26.7	Very low	30.3	Very low	85 Å²	85	131.7 Å²	131.7	70%	0.702	70%	0.7	S	S	*	*	T	Hydrogen-bonded Turn	trans	-138	15.6	-167.1	0	0	0	0	0	115.3	R99	R99-A101 PolarHBondContact O-N 2.9Å
102	K	26.6	Very low	30.7	Very low	191 Å²	191	130.4 Å²	130.4	83%	0.83	69%	0.687	S	S	*	*			trans	-145	72.9	-177.9	-73.2	-169	175.4	-177.9	0	114.2
103	E	30.3	Very low	31.1	Very low	187 Å²	187	128.3 Å²	128.3	87%	0.874	67%	0.668	S	S	*	*			trans	-167.3	103.1	155.1	-107.2	155.8	-141.6	0	0	105.4
104	S	26.3	Very low	31.5	Very low	93 Å²	93	124.6 Å²	124.6	65%	0.65	64%	0.644	S	S	*	*			cis	98.7	116.7	33	80	0	0	0	0	113.4
105	L	27.8	Very low	32.1	Very low	153 Å²	153	120.6 Å²	120.6	80%	0.801	62%	0.618	S	S	*	*			trans	74.1	110.6	160.9	-66.6	150.5	0	0	0	118.6
106	Y	27.3	Very low	32.9	Very low	121 Å²	121	120.1 Å²	120.1	48%	0.475	61%	0.612	S	S	.	*			trans	-17.5	144	154.1	-47.4	-107.8	0	0	0	117.9	T63 E66	T63-Y106 HydrophobicContact CG2-CD1 3.76Å; T63-Y106 HydrophobicContact CG2-CE1 3.41Å; T63-Y106 VanDerWaalsContact CG2-CE1 3.41Å; E66-Y106 PolarHBondContact OE2-OH 3.34Å
107	L	28	Very low	33.4	Very low	167 Å²	167	116 Å²	116	87%	0.874	60%	0.595	S	S	*	*				-162.6	139.1	128	-105.2	158.1	0	0	0	111
108	W	27.5	Very low	34.4	Very low	99 Å²	99	109.3 Å²	109.3	38%	0.375	56%	0.559	S	S	.	*	P	Polyproline II helix	trans	-98.5	149.6	-179	-79.7	87.3	0	0	0	111.7	T63 Q64	T63-W108 VanDerWaalsContact OG1-CE2 3.32Å; T63-W108 WeakPolarHBondContact OG1-CZ2 3.21Å; T63-W108 PolarHBondContact OG1-NE1 3.5Å; Q64-W108 HydrophobicContact CB-CZ2 4.36Å; Q64-W108 HydrophobicContact CG-CE3 4.42Å; Q64-W108 HydrophobicContact CG-CH2 3.72Å; Q64-W108 HydrophobicContact CG-CZ2 3.79Å; Q64-W108 HydrophobicContact CG-CZ3 4.04Å
109	L	28.2	Very low	35.2	Very low	65 Å²	65	106.1 Å²	106.1	34%	0.34	53%	0.532	S	S	.	.	P	Polyproline II helix	trans	-94	146.8	156.5	-78.6	87.9	0	0	0	110.5	Q113 L117 L148	L109-Q113 HydrophobicContact CB-CB 4.42Å; L109-Q113 HydrophobicContact CD2-CB 3.93Å; L109-L117 HydrophobicContact CD2-CD1 4.28Å; L109-L148 HydrophobicContact CD1-CD1 4.47Å; L109-L148 HydrophobicContact CD1-CD2 3.75Å; L109-L148 HydrophobicContact CD1-CG 3.61Å; L109-L148 HydrophobicContact CD2-CD2 3.75Å; L109-L148 HydrophobicContact CG-CD2 4.41Å
110	S	32	Very low	36.1	Very low	51 Å²	51	98.6 Å²	98.6	36%	0.357	51%	0.505	S	S	.	.	P	Polyproline II helix	trans	-73	152.1	169.2	59.8	0	0	0	0	111.1	T112 Q113 L114	S110-T112 WeakPolarHBondContact CB-OG1 3.27Å; S110-T112 PolarHBondContact O-N 3.28Å; S110-T112 PolarHBondContact OG-OG1 3.04Å; S110-Q113 PolarHBondContact O-N 3.05Å; S110-Q113 VanDerWaalsContact OG-CD 3.27Å; S110-Q113 VanDerWaalsContact OG-CG 3.29Å; S110-Q113 WeakPolarHBondContact OG-CG 3.47Å; S110-Q113 PolarHBondContact OG-OE1 3.44Å; S110-L114 PolarHBondContact O-N 3.48Å; S110-L114 VanDerWaalsContact O-N 3.15Å
111	E	40.4	Very low	37.1	Very low	94 Å²	94	94.5 Å²	94.5	44%	0.439	48%	0.483	S	S	.	.	H	α-helix	trans	-55.9	-37.4	176.8	-170.6	-173.9	152.1	0	0	112.4	Q113 L114 N115 W156	E111-Q113 VanDerWaalsContact C-N 3.31Å; E111-Q113 PolarHBondContact O-N 3.44Å; E111-L114 PolarHBondContact O-N 3.28Å; E111-N115 WeakPolarHBondContact O-CB 3.29Å; E111-N115 PolarHBondContact O-N 3.34Å; E111-N115 PolarHBondContact O-ND2 3.43Å; E111-W156 HydrophobicContact CG-CZ2 4.08Å; E111-W156 WeakPolarHBondContact OE1-CH2 3.12Å; E111-W156 WeakPolarHBondContact OE1-CZ2 3.26Å
112	T	41.2	Very low	38.3	Very low	91 Å²	91	92.5 Å²	92.5	56%	0.558	46%	0.458	S	S	*	.	H	α-helix	trans	-57.2	-38.9	172.5	37.2	0	0	0	0	113.1	S110 Q116	S110-T112 WeakPolarHBondContact CB-OG1 3.27Å; S110-T112 PolarHBondContact O-N 3.28Å; S110-T112 PolarHBondContact OG-OG1 3.04Å; T112-Q116 WeakPolarHBondContact O-CB 3.48Å; T112-Q116 VanDerWaalsContact O-CG 3.24Å; T112-Q116 WeakPolarHBondContact O-CG 3.42Å; T112-Q116 PolarHBondContact O-N 3.11Å
113	Q	41.3	Very low	39.6	Very low	83 Å²	83	84.2 Å²	84.2	39%	0.388	42%	0.423	S	S	.	.	H	α-helix	trans	-76.6	-36	178.6	-69.2	164.7	-57.5	0	0	112.1	L109 S110 E111 N115 Q116 L117	L109-Q113 HydrophobicContact CB-CB 4.42Å; L109-Q113 HydrophobicContact CD2-CB 3.93Å; S110-Q113 PolarHBondContact O-N 3.05Å; S110-Q113 VanDerWaalsContact OG-CD 3.27Å; S110-Q113 VanDerWaalsContact OG-CG 3.29Å; S110-Q113 WeakPolarHBondContact OG-CG 3.47Å; S110-Q113 PolarHBondContact OG-OE1 3.44Å; E111-Q113 VanDerWaalsContact C-N 3.31Å; E111-Q113 PolarHBondContact O-N 3.44Å; Q113-N115 VanDerWaalsContact C-N 3.34Å; Q113-Q116 PolarHBondContact O-N 2.93Å; Q113-L117 PolarHBondContact O-N 3.09Å
114	L	43.1	Very low	40.5	Very low	43 Å²	43	76.8 Å²	76.8	23%	0.225	39%	0.389	C	S	.	.	H	α-helix	trans	-65	-40.2	171.8	-178.1	62.7	0	0	0	111	S110 E111 L117 L118 Q151	S110-L114 PolarHBondContact O-N 3.48Å; S110-L114 VanDerWaalsContact O-N 3.15Å; E111-L114 PolarHBondContact O-N 3.28Å; L114-L117 PolarHBondContact O-N 3.27Å; L114-L118 HydrophobicContact CD1-CD1 3.86Å; L114-L118 HydrophobicContact CD1-CG 4.26Å; L114-L118 HydrophobicContact CG-CD1 3.89Å; L114-L118 WeakPolarHBondContact O-CB 3.24Å; L114-L118 VanDerWaalsContact O-CG 3.25Å; L114-L118 WeakPolarHBondContact O-CG 3.37Å; L114-L118 PolarHBondContact O-N 2.8Å; L114-L118 VanDerWaalsContact O-N 3.11Å; L114-Q151 HydrophobicContact CD2-CB 4.34Å; L114-Q151 HydrophobicContact CD2-CG 4.5Å
115	N	48.1	Very low	41.8	Very low	33 Å²	33	75 Å²	75	18%	0.176	38%	0.375	C	S	.	.	H	α-helix	trans	-64.8	-42.3	174.2	-68.5	-16.1	0	0	0	111	E111 Q113 L117 L118 E119 R458	E111-N115 WeakPolarHBondContact O-CB 3.29Å; E111-N115 PolarHBondContact O-N 3.34Å; E111-N115 PolarHBondContact O-ND2 3.43Å; Q113-N115 VanDerWaalsContact C-N 3.34Å; N115-L117 PolarHBondContact O-N 2.84Å; N115-L118 CarbonylContact O-C 3.58Å; N115-L118 PolarHBondContact O-N 3.37Å; N115-E119 VanDerWaalsContact O-CB 3.31Å; N115-E119 WeakPolarHBondContact O-CB 3.49Å; N115-E119 WeakPolarHBondContact O-CG 3.35Å; N115-E119 PolarHBondContact O-N 3.23Å; N115-R458 PolarHBondContact OD1-NH1 3.39Å; N115-R458 PolarHBondContact OD1-NH2 3.49Å
116	Q	45.2	Very low	42.9	Very low	117 Å²	117	69.4 Å²	69.4	55%	0.547	34%	0.343	S	S	.	.	H	α-helix	trans	-60.2	-43.4	174.2	-78.6	169.2	-11.5	0	0	113.2	T112 Q113 L118	T112-Q116 WeakPolarHBondContact O-CB 3.48Å; T112-Q116 VanDerWaalsContact O-CG 3.24Å; T112-Q116 WeakPolarHBondContact O-CG 3.42Å; T112-Q116 PolarHBondContact O-N 3.11Å; Q113-Q116 PolarHBondContact O-N 2.93Å; Q116-L118 VanDerWaalsContact C-N 3.28Å; Q116-L118 PolarHBondContact O-N 2.88Å
117	L	41.5	Very low	44.1	Very low	96 Å²	96	67.4 Å²	67.4	50%	0.503	34%	0.335	S	S	.	.	H	α-helix	trans	-65.3	-29.4	176.3	-81	169.8	0	0	0	113	L109 Q113 L114 N115 F122	L109-L117 HydrophobicContact CD2-CD1 4.28Å; Q113-L117 PolarHBondContact O-N 3.09Å; L114-L117 PolarHBondContact O-N 3.27Å; N115-L117 PolarHBondContact O-N 2.84Å; L117-F122 WeakPolarHBondContact O-CB 3.49Å
118	L	51.3	Low	45.3	Very low	20 Å²	20	62.1 Å²	62.1	11%	0.105	32%	0.315	C	S	.	.	H	α-helix	trans	-97	-16.2	-178.1	-65.5	173	0	0	0	114.2	L114 N115 Q116 Y120 F122 M457	L114-L118 HydrophobicContact CD1-CD1 3.86Å; L114-L118 HydrophobicContact CD1-CG 4.26Å; L114-L118 HydrophobicContact CG-CD1 3.89Å; L114-L118 WeakPolarHBondContact O-CB 3.24Å; L114-L118 VanDerWaalsContact O-CG 3.25Å; L114-L118 WeakPolarHBondContact O-CG 3.37Å; L114-L118 PolarHBondContact O-N 2.8Å; L114-L118 VanDerWaalsContact O-N 3.11Å; N115-L118 CarbonylContact O-C 3.58Å; N115-L118 PolarHBondContact O-N 3.37Å; Q116-L118 VanDerWaalsContact C-N 3.28Å; Q116-L118 PolarHBondContact O-N 2.88Å; L118-Y120 VanDerWaalsContact C-N 3.27Å; L118-Y120 PolarHBondContact O-N 3.49Å; L118-F122 HydrophobicContact CD2-CD1 3.82Å; L118-F122 HydrophobicContact CD2-CE1 4.34Å; L118-F122 HydrophobicContact CD2-CG 4.39Å; L118-M457 HydrophobicContact CB-SD 4.34Å; L118-M457 HydrophobicContact CD1-CE 3.66Å; L118-M457 HydrophobicContact CD1-SD 4.43Å; L118-M457 HydrophobicContact CD2-CE 3.81Å; L118-M457 HydrophobicContact CD2-SD 4Å; L118-M457 HydrophobicContact CG-CE 4.23Å; L118-M457 HydrophobicContact CG-SD 4.49Å
119	E	49.2	Very low	46.4	Very low	38 Å²	38	60 Å²	60	18%	0.178	31%	0.309	C	S	.	.	H	α-helix	trans	-66.5	-27.7	-172.9	-102.9	-162.1	157.5	0	0	113.9	N115 S717 K723	N115-E119 VanDerWaalsContact O-CB 3.31Å; N115-E119 WeakPolarHBondContact O-CB 3.49Å; N115-E119 WeakPolarHBondContact O-CG 3.35Å; N115-E119 PolarHBondContact O-N 3.23Å; E119-S717 WeakPolarHBondContact OE2-CB 3.35Å; E119-S717 PolarHBondContact OE2-OG 2.81Å; E119-K723 PolarHBondContact O-NZ 3.35Å
120	Y	46.7	Very low	47.5	Very low	72 Å²	72	59.2 Å²	59.2	28%	0.282	31%	0.312	S	S	.	.	S	Bend	trans	-152.2	147.4	-176	-91.9	-90.5	0	0	0	112.8	L118 F122 L719 K723	L118-Y120 VanDerWaalsContact C-N 3.27Å; L118-Y120 PolarHBondContact O-N 3.49Å; Y120-F122 PolarHBondContact O-N 3.03Å; Y120-L719 HydrophobicContact CD1-CD2 3.58Å; Y120-L719 HydrophobicContact CD1-CG 3.93Å; Y120-L719 HydrophobicContact CD2-CB 3.61Å; Y120-L719 HydrophobicContact CD2-CD2 3.68Å; Y120-L719 HydrophobicContact CD2-CG 3.79Å; Y120-L719 HydrophobicContact CE1-CB 4.45Å; Y120-L719 HydrophobicContact CE1-CD2 3.93Å; Y120-L719 HydrophobicContact CE1-CG 3.73Å; Y120-L719 HydrophobicContact CE2-CB 3.36Å; Y120-L719 HydrophobicContact CE2-CD2 4.04Å; Y120-L719 HydrophobicContact CE2-CG 3.6Å; Y120-L719 HydrophobicContact CG-CB 4.25Å; Y120-L719 HydrophobicContact CG-CD2 3.41Å; Y120-L719 VanDerWaalsContact CG-CD2 3.41Å; Y120-L719 HydrophobicContact CG-CG 3.93Å; Y120-L719 PolarHBondContact OH-O 2.94Å; Y120-K723 HydrophobicContact CE2-CD 3.68Å; Y120-K723 VanDerWaalsContact OH-CD 3.31Å; Y120-K723 WeakPolarHBondContact OH-CD 3.3Å; Y120-K723 WeakPolarHBondContact OH-CE 3.36Å; Y120-K723 VanDerWaalsContact OH-CG 3.3Å; Y120-K723 WeakPolarHBondContact OH-CG 3.45Å
121	N	50.8	Low	48.4	Very low	85 Å²	85	60.1 Å²	60.1	46%	0.455	33%	0.329	S	S	.	.	S	Bend	trans	57.9	-15.2	171.1	-63.2	8.4	0	0	0	118.2	L123 D124 T125	N121-L123 PolarHBondContact O-N 3.21Å; N121-D124 PolarHBondContact O-N 3.16Å; N121-T125 VanDerWaalsContact O-CB 3.25Å; N121-T125 WeakPolarHBondContact O-CB 3.29Å; N121-T125 PolarHBondContact O-N 3.18Å; N121-T125 PolarHBondContact O-OG1 3.16Å
122	F	52	Low	48.9	Very low	43 Å²	43	61.1 Å²	61.1	19%	0.189	33%	0.334	C	S	.	.	H	α-helix	trans	-59	-46.7	-176.4	-178.5	-110	0	0	0	112.8	L117 L118 Y120 D124 Y126 L173	L117-F122 WeakPolarHBondContact O-CB 3.49Å; L118-F122 HydrophobicContact CD2-CD1 3.82Å; L118-F122 HydrophobicContact CD2-CE1 4.34Å; L118-F122 HydrophobicContact CD2-CG 4.39Å; Y120-F122 PolarHBondContact O-N 3.03Å; F122-D124 VanDerWaalsContact C-N 3.35Å; F122-Y126 WeakPolarHBondContact O-CB 3.37Å; F122-Y126 PolarHBondContact O-N 2.83Å; F122-L173 HydrophobicContact CD1-CD1 4.24Å; F122-L173 HydrophobicContact CE1-CD1 3.7Å; F122-L173 HydrophobicContact CE1-CD2 3.57Å; F122-L173 HydrophobicContact CE1-CG 4.3Å; F122-L173 HydrophobicContact CZ-CD2 3.81Å
123	L	52.5	Low	48.9	Very low	17 Å²	17	60.3 Å²	60.3	9%	0.089	34%	0.344	C	S	.	.	H	α-helix	trans	-68.7	-30.1	173.6	-86.6	90.1	0	0	0	113.2	N121 R127 L173 L176 Q177 T180 M457	N121-L123 PolarHBondContact O-N 3.21Å; L123-R127 VanDerWaalsContact O-CB 3.23Å; L123-R127 WeakPolarHBondContact O-CB 3.35Å; L123-R127 PolarHBondContact O-N 3.17Å; L123-L173 HydrophobicContact CD1-CD1 4.35Å; L123-L173 HydrophobicContact CG-CD1 4.38Å; L123-L176 HydrophobicContact CD1-CD2 4.21Å; L123-L176 HydrophobicContact CD2-CG 4.39Å; L123-Q177 HydrophobicContact CD2-CB 3.97Å; L123-Q177 HydrophobicContact CD2-CG 4.14Å; L123-T180 HydrophobicContact CD2-CG2 4.18Å; L123-M457 HydrophobicContact CD1-SD 4.06Å
124	D	50.7	Low	48.8	Very low	32 Å²	32	63 Å²	63	17%	0.171	35%	0.35	C	S	.	.	H	α-helix	trans	-78.7	-36.6	-178	-52.6	-59.6	0	0	0	111.8	N121 F122 R127 A128 I905	N121-D124 PolarHBondContact O-N 3.16Å; F122-D124 VanDerWaalsContact C-N 3.35Å; D124-R127 PolarHBondContact O-N 3.46Å; D124-R127 IonicContact OD1-CZ 2.68Å; D124-R127 IonicContact OD1-NH1 2.88Å; D124-R127 PolarHBondContact OD1-NH1 3.45Å; D124-A128 WeakPolarHBondContact O-CB 3.28Å; D124-A128 PolarHBondContact O-N 3.08Å; D124-I905 HydrophobicContact CB-CG2 4.21Å
125	T	52.5	Low	48.9	Very low	56 Å²	56	63.5 Å²	63.5	34%	0.344	36%	0.358	S	S	.	.	H	α-helix	trans	-67.8	-43.7	170.5	-48.6	0	0	0	0	109.7	N121 A128 H129	N121-T125 VanDerWaalsContact O-CB 3.25Å; N121-T125 WeakPolarHBondContact O-CB 3.29Å; N121-T125 PolarHBondContact O-N 3.18Å; N121-T125 PolarHBondContact O-OG1 3.16Å; T125-A128 WeakPolarHBondContact O-CB 3.28Å; T125-A128 PolarHBondContact O-N 3.02Å; T125-H129 PolarHBondContact O-CD2 3.45Å; T125-H129 PolarHBondContact O-N 2.83Å
126	Y	50.3	Low	48.5	Very low	35 Å²	35	64.5 Å²	64.5	14%	0.137	36%	0.363	C	S	.	.	H	α-helix	trans	-59.6	-45.1	171.2	-179.5	-100.1	0	0	0	111.7	F122 A128 H129 A130 L136 L173	F122-Y126 WeakPolarHBondContact O-CB 3.37Å; F122-Y126 PolarHBondContact O-N 2.83Å; Y126-A128 VanDerWaalsContact C-N 3.31Å; Y126-A128 PolarHBondContact O-N 3.13Å; Y126-H129 PolarHBondContact O-N 3.39Å; Y126-A130 VanDerWaalsContact O-CB 3.29Å; Y126-A130 WeakPolarHBondContact O-CB 3.47Å; Y126-A130 PolarHBondContact O-N 3.45Å; Y126-L136 HydrophobicContact CD2-CD1 3.92Å; Y126-L136 HydrophobicContact CE2-CD1 3.65Å; Y126-L173 HydrophobicContact CD2-CD2 3.9Å; Y126-L173 HydrophobicContact CE1-CG 4.48Å; Y126-L173 HydrophobicContact CE2-CD2 3.94Å; Y126-L173 HydrophobicContact CG-CD2 4.2Å
127	R	54	Low	48.3	Very low	78 Å²	78	63 Å²	63	29%	0.294	37%	0.365	S	S	.	.	H	α-helix	trans	-60.7	-38.7	175	-166.4	-174.1	-67.6	108.6	-8.9	111.5	L123 D124 G131 D181	L123-R127 VanDerWaalsContact O-CB 3.23Å; L123-R127 WeakPolarHBondContact O-CB 3.35Å; L123-R127 PolarHBondContact O-N 3.17Å; D124-R127 PolarHBondContact O-N 3.46Å; D124-R127 IonicContact OD1-CZ 2.68Å; D124-R127 IonicContact OD1-NH1 2.88Å; D124-R127 PolarHBondContact OD1-NH1 3.45Å; R127-G131 PolarHBondContact O-N 3.02Å; R127-D181 IonicContact CZ-OD1 3.51Å; R127-D181 IonicContact NE-OD1 3.14Å; R127-D181 IonicContact NH2-OD1 2.99Å; R127-D181 PolarHBondContact NH2-OD1 3.29Å
128	A	53.4	Low	48.1	Very low	56 Å²	56	62.3 Å²	62.3	46%	0.463	36%	0.362	S	S	.	.	H	α-helix	trans	-66.5	-36.9	175.5	0	0	0	0	0	113.2	D124 T125 Y126 Q132	D124-A128 WeakPolarHBondContact O-CB 3.28Å; D124-A128 PolarHBondContact O-N 3.08Å; T125-A128 WeakPolarHBondContact O-CB 3.28Å; T125-A128 PolarHBondContact O-N 3.02Å; Y126-A128 VanDerWaalsContact C-N 3.31Å; Y126-A128 PolarHBondContact O-N 3.13Å; A128-Q132 WeakPolarHBondContact O-CG 3.44Å
129	H	50.4	Low	47.5	Very low	55 Å²	55	63.3 Å²	63.3	26%	0.255	37%	0.367	S	S	.	.	H	α-helix	trans	-79	-42.4	176.6	-68.3	-59	0	0	0	113.1	T125 Y126 G131 Q132	T125-H129 PolarHBondContact O-CD2 3.45Å; T125-H129 PolarHBondContact O-N 2.83Å; Y126-H129 PolarHBondContact O-N 3.39Å; H129-G131 VanDerWaalsContact C-N 3.29Å; H129-G131 PolarHBondContact O-N 2.96Å; H129-Q132 WeakPolarHBondContact O-CB 3.3Å; H129-Q132 PolarHBondContact O-N 3.19Å
130	A	51.6	Low	46.8	Very low	48 Å²	48	69.1 Å²	69.1	40%	0.397	40%	0.399	S	S	.	.	H	α-helix	trans	-61.8	-38.1	174.5	0	0	0	0	0	111.6	Y126 Q132 G133	Y126-A130 VanDerWaalsContact O-CB 3.29Å; Y126-A130 WeakPolarHBondContact O-CB 3.47Å; Y126-A130 PolarHBondContact O-N 3.45Å; A130-Q132 PolarHBondContact O-N 3.11Å; A130-G133 PolarHBondContact O-N 3.25Å
131	G	50.3	Low	46.1	Very low	70 Å²	70	71.1 Å²	71.1	72%	0.722	41%	0.407	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.8	-16.3	173.4	0	0	0	0	0	114.8	R127 H129 G133	R127-G131 PolarHBondContact O-N 3.02Å; H129-G131 VanDerWaalsContact C-N 3.29Å; H129-G131 PolarHBondContact O-N 2.96Å; G131-G133 VanDerWaalsContact C-N 3.32Å
132	Q	50.6	Low	45	Very low	115 Å²	115	72.9 Å²	72.9	54%	0.537	42%	0.416	S	S	.	.	T	Hydrogen-bonded Turn	trans	-89.5	6	172.4	-69.5	175.4	5.5	0	0	113	A128 H129 A130 R134	A128-Q132 WeakPolarHBondContact O-CG 3.44Å; H129-Q132 WeakPolarHBondContact O-CB 3.3Å; H129-Q132 PolarHBondContact O-N 3.19Å; A130-Q132 PolarHBondContact O-N 3.11Å; Q132-R134 HydrophobicContact CB-CG 4.14Å; Q132-R134 PolarHBondContact O-N 3.01Å
133	G	40.8	Very low	44	Very low	74 Å²	74	74.9 Å²	74.9	76%	0.763	44%	0.441	S	S	*	.	T	Hydrogen-bonded Turn	trans	68.1	10.7	-176.5	0	0	0	0	0	114.2	A130 G131	A130-G133 PolarHBondContact O-N 3.25Å; G131-G133 VanDerWaalsContact C-N 3.32Å
134	R	40.7	Very low	43	Very low	139 Å²	139	81.6 Å²	81.6	53%	0.525	48%	0.476	S	S	.	.			trans	-79.6	138.8	179.5	-67.1	-174.1	-175.2	-163.2	2.6	110.6	Q132 D138	Q132-R134 HydrophobicContact CB-CG 4.14Å; Q132-R134 PolarHBondContact O-N 3.01Å; R134-D138 WeakPolarHBondContact CA-OD2 3.36Å; R134-D138 HydrophobicContact CB-CB 4.18Å
135	S	44	Very low	42.1	Very low	55 Å²	55	84.9 Å²	84.9	39%	0.385	49%	0.491	S	S	.	.			trans	-72.6	156.7	170.6	170.8	0	0	0	0	110	S137 D138	S135-S137 WeakPolarHBondContact CB-OG 3.41Å; S135-S137 PolarHBondContact O-N 3.16Å; S135-S137 VanDerWaalsContact O-N 3.11Å; S135-S137 PolarHBondContact OG-N 3.3Å; S135-S137 PolarHBondContact OG-OG 2.86Å; S135-D138 PolarHBondContact N-OD2 2.98Å; S135-D138 WeakPolarHBondContact O-CB 3.08Å; S135-D138 PolarHBondContact O-N 2.97Å
136	L	39.2	Very low	41.1	Very low	53 Å²	53	85.5 Å²	85.5	28%	0.277	50%	0.497	S	S	.	.	G	3₁₀ helix	trans	-63.4	-14.5	171	-159.2	107.7	0	0	0	112.2	Y126 D138 L139 Q170	Y126-L136 HydrophobicContact CD2-CD1 3.92Å; Y126-L136 HydrophobicContact CE2-CD1 3.65Å; L136-D138 PolarHBondContact O-N 3.38Å; L136-L139 HydrophobicContact CD1-CD1 3.88Å; L136-L139 HydrophobicContact CG-CD1 4.05Å; L136-Q170 HydrophobicContact CD2-CG 3.97Å; L136-Q170 VanDerWaalsContact CD2-NE2 3.29Å
137	S	41.1	Very low	40.3	Very low	86 Å²	86	91.3 Å²	91.3	60%	0.601	53%	0.526	S	S	*	.	G	3₁₀ helix	trans	-67.2	-22.4	168.5	53.4	0	0	0	0	114	S135 L139	S135-S137 WeakPolarHBondContact CB-OG 3.41Å; S135-S137 PolarHBondContact O-N 3.16Å; S135-S137 VanDerWaalsContact O-N 3.11Å; S135-S137 PolarHBondContact OG-N 3.3Å; S135-S137 PolarHBondContact OG-OG 2.86Å; S137-L139 VanDerWaalsContact C-N 3.3Å
138	D	37.4	Very low	39.5	Very low	81 Å²	81	91.2 Å²	91.2	43%	0.433	53%	0.531	S	S	.	.	G	3₁₀ helix	trans	-91.8	-2.9	-172.9	-43.6	-20.7	0	0	0	111.1	R134 S135 L136 N140	R134-D138 WeakPolarHBondContact CA-OD2 3.36Å; R134-D138 HydrophobicContact CB-CB 4.18Å; S135-D138 PolarHBondContact N-OD2 2.98Å; S135-D138 WeakPolarHBondContact O-CB 3.08Å; S135-D138 PolarHBondContact O-N 2.97Å; L136-D138 PolarHBondContact O-N 3.38Å; D138-N140 VanDerWaalsContact C-N 3.28Å; D138-N140 PolarHBondContact O-N 3.43Å
139	L	38.9	Very low	38.9	Very low	41 Å²	41	92.4 Å²	92.4	22%	0.215	52%	0.524	C	S	.	.			trans	-76.4	81	167	-81.3	168.4	0	0	0	109.6	L136 S137 W141	L136-L139 HydrophobicContact CD1-CD1 3.88Å; L136-L139 HydrophobicContact CG-CD1 4.05Å; S137-L139 VanDerWaalsContact C-N 3.3Å; L139-W141 PolarHBondContact O-N 3.05Å
140	N	34.5	Very low	38.8	Very low	160 Å²	160	98.5 Å²	98.5	86%	0.856	55%	0.552	S	S	*	*			trans	-65	70.7	159.8	-98.5	3.8	0	0	0	110.1	D138	D138-N140 VanDerWaalsContact C-N 3.28Å; D138-N140 PolarHBondContact O-N 3.43Å
141	W	33.2	Very low	39.3	Very low	115 Å²	115	99.5 Å²	99.5	44%	0.436	55%	0.548	S	S	.	.			trans	-58.3	142.9	142.8	-58.7	98.2	0	0	0	107.2	L139 A143	L139-W141 PolarHBondContact O-N 3.05Å; W141-A143 PolarHBondContact O-N 3.27Å
142	D	27.7	Very low	40.3	Very low	122 Å²	122	97 Å²	97	65%	0.652	52%	0.52	S	S	*	.			trans	-48.2	134.6	176	-75.5	-49.5	0	0	0	109.5	N144 Q145	D142-N144 PolarHBondContact O-N 2.84Å; D142-Q145 PolarHBondContact O-N 3.24Å
143	A	29.7	Very low	41.5	Very low	85 Å²	85	91.9 Å²	91.9	70%	0.702	50%	0.496	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62	-5.3	-168.3	0	0	0	0	0	114.9	W141 S146	W141-A143 PolarHBondContact O-N 3.27Å; A143-S146 PolarHBondContact O-OG 2.86Å
144	N	31.4	Very low	43.4	Very low	157 Å²	157	88.4 Å²	88.4	84%	0.84	46%	0.46	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86.9	-1.5	170.8	-58.6	-26.9	0	0	0	113.9	D142	D142-N144 PolarHBondContact O-N 2.84Å
145	Q	32.8	Very low	44.9	Very low	102 Å²	102	83.3 Å²	83.3	48%	0.477	44%	0.441	S	S	.	.	S	Bend	trans	-122.1	-0	-177.7	-67.2	-173.3	-10.7	0	0	113.9	D142 Q147 L148	D142-Q145 PolarHBondContact O-N 3.24Å; Q145-Q147 VanDerWaalsContact C-N 3.27Å; Q145-Q147 PolarHBondContact O-N 2.91Å; Q145-L148 VanDerWaalsContact O-CD1 3.31Å; Q145-L148 WeakPolarHBondContact O-CD1 3.17Å
146	S	31.2	Very low	45.8	Very low	68 Å²	68	82.6 Å²	82.6	48%	0.476	43%	0.43	S	S	.	.	T	Hydrogen-bonded Turn	trans	-76.4	-8.1	-177.8	53.6	0	0	0	0	114.6	A143 L148	A143-S146 PolarHBondContact O-OG 2.86Å; S146-L148 PolarHBondContact O-N 3.24Å
147	Q	33.6	Very low	46.6	Very low	157 Å²	157	84.5 Å²	84.5	73%	0.734	45%	0.448	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87.1	8.8	-174.7	-64.1	-176	-16.7	0	0	115	Q145 Y149	Q145-Q147 VanDerWaalsContact C-N 3.27Å; Q145-Q147 PolarHBondContact O-N 2.91Å; Q147-Y149 PolarHBondContact O-N 3.48Å
148	L	37.1	Very low	47.3	Very low	76 Å²	76	81.9 Å²	81.9	40%	0.398	43%	0.427	S	S	.	.			trans	-85.2	4.1	-162.6	-94.8	76.4	0	0	0	117.4	L109 Q145 S146	L109-L148 HydrophobicContact CD1-CD1 4.47Å; L109-L148 HydrophobicContact CD1-CD2 3.75Å; L109-L148 HydrophobicContact CD1-CG 3.61Å; L109-L148 HydrophobicContact CD2-CD2 3.75Å; L109-L148 HydrophobicContact CG-CD2 4.41Å; Q145-L148 VanDerWaalsContact O-CD1 3.31Å; Q145-L148 WeakPolarHBondContact O-CD1 3.17Å; S146-L148 PolarHBondContact O-N 3.24Å
149	Y	41.6	Very low	48	Very low	82 Å²	82	84.6 Å²	84.6	32%	0.322	45%	0.447	S	S	.	.			trans	-112.7	68.3	-158.9	-59.6	-76.4	0	0	0	115.8	Q147 F169	Q147-Y149 PolarHBondContact O-N 3.48Å; Y149-F169 HydrophobicContact CD1-CD1 4.04Å; Y149-F169 AromaticContact CD1-CE1 3.58Å; Y149-F169 HydrophobicContact CD1-CE1 3.58Å; Y149-F169 HydrophobicContact CD1-CZ 4.27Å; Y149-F169 HydrophobicContact CE1-CE1 4.21Å; Y149-F169 HydrophobicContact CG-CE1 4.46Å
150	H	46.6	Very low	48.8	Very low	182 Å²	182	89.5 Å²	89.5	84%	0.843	47%	0.473	S	S	*	.			trans	-125.2	21.5	-173	-72.6	-30.4	0	0	0	117.5
151	Q	62.1	Low	49.9	Very low	70 Å²	70	84.6 Å²	84.6	33%	0.327	45%	0.447	S	S	.	.			trans	-124.4	114.4	175.1	-165.5	154.9	83.8	0	0	112.1	L114 W156	L114-Q151 HydrophobicContact CD2-CB 4.34Å; L114-Q151 HydrophobicContact CD2-CG 4.5Å; Q151-W156 VanDerWaalsContact OE1-CD1 3.24Å
152	S	72.6	Confident	51.3	Low	18 Å²	18	81.2 Å²	81.2	13%	0.126	44%	0.439	C	S	.	.			trans	-65.6	137.9	175.7	165.6	0	0	0	0	111	C154 Y155 E172	S152-C154 VanDerWaalsContact C-N 3.27Å; S152-C154 PolarHBondContact OG-N 3.47Å; S152-C154 VanDerWaalsContact OG-N 3.1Å; S152-Y155 PolarHBondContact OG-N 3.03Å; S152-E172 VanDerWaalsContact CA-OE2 3.29Å; S152-E172 WeakPolarHBondContact CA-OE2 3.41Å; S152-E172 PolarHBondContact OG-OE1 3.3Å; S152-E172 PolarHBondContact OG-OE2 2.96Å
153	L	76.1	Confident	52.9	Low	7 Å²	7	82.4 Å²	82.4	4%	0.037	44%	0.439	C	S	.	.	S	Bend	trans	-72.5	-22.5	174.3	-61.3	179.1	0	0	0	112.3	F169 E172 L176 M457 R458 M461	L153-F169 HydrophobicContact CG-CE2 4.38Å; L153-E172 HydrophobicContact CB-CB 4.5Å; L153-E172 HydrophobicContact CD1-CB 4.19Å; L153-E172 PolarHBondContact N-OE2 2.84Å; L153-L176 HydrophobicContact CD1-CB 4.35Å; L153-L176 HydrophobicContact CD1-CD2 3.84Å; L153-M457 HydrophobicContact CD1-CE 4.2Å; L153-M457 HydrophobicContact CD2-CE 3.43Å; L153-M457 VanDerWaalsContact CD2-CE 3.43Å; L153-M457 HydrophobicContact CG-CE 4.48Å; L153-R458 HydrophobicContact CD2-CG 4.32Å; L153-M461 HydrophobicContact CB-CB 4.26Å; L153-M461 HydrophobicContact CB-CG 3.82Å
154	C	80.9	Confident	55	Low	1 Å²	1	82 Å²	82	1%	0.007	42%	0.422	C	S	.	.	S	Bend	trans	-82.1	-45.2	176.4	-68.3	0	0	0	0	112.9	S152 C466	S152-C154 VanDerWaalsContact C-N 3.27Å; S152-C154 PolarHBondContact OG-N 3.47Å; S152-C154 VanDerWaalsContact OG-N 3.1Å; C154-C466 WeakPolarHBondContact CA-SG 3.23Å; C154-C466 HydrophobicContact CB-CB 3.73Å; C154-C466 WeakPolarHBondContact CB-SG 3.13Å; C154-C466 VanDerWaalsContact SG-CA 3.54Å; C154-C466 WeakPolarHBondContact SG-CB 3.13Å; C154-C466 CovalentContact SG-SG 2.03Å; C154-C466 PolarHBondContact SG-SG 3.36Å
155	Y	72.2	Confident	57.4	Low	31 Å²	31	74.7 Å²	74.7	12%	0.122	38%	0.383	C	S	.	.	S	Bend	trans	-113.3	60.2	-168.9	-54	-61.7	0	0	0	111.2	L59 S152 L161 P162 S470	L59-Y155 HydrophobicContact CD1-CD2 3.87Å; S152-Y155 PolarHBondContact OG-N 3.03Å; Y155-L161 WeakPolarHBondContact O-CD1 3.35Å; Y155-P162 HydrophobicContact CD1-CG 3.52Å; Y155-P162 HydrophobicContact CD2-CG 3.74Å; Y155-P162 HydrophobicContact CE1-CG 3.51Å; Y155-P162 HydrophobicContact CE2-CG 3.71Å; Y155-P162 HydrophobicContact CG-CG 3.63Å; Y155-S470 WeakPolarHBondContact OH-CB 3.44Å; Y155-S470 PolarHBondContact OH-N 2.91Å
156	W	61.6	Low	59.8	Low	40 Å²	40	69.8 Å²	69.8	15%	0.152	36%	0.36	C	S	.	.	S	Bend	trans	-89.5	127.9	175.6	-168.4	54.8	0	0	0	110.9	E111 Q151 D158 E650	E111-W156 HydrophobicContact CG-CZ2 4.08Å; E111-W156 WeakPolarHBondContact OE1-CH2 3.12Å; E111-W156 WeakPolarHBondContact OE1-CZ2 3.26Å; Q151-W156 VanDerWaalsContact OE1-CD1 3.24Å; W156-D158 PolarHBondContact O-N 2.59Å; W156-E650 WeakPolarHBondContact CH2-OE1 3.28Å
157	S	55.9	Low	62.4	Low	93 Å²	93	66.8 Å²	66.8	65%	0.65	34%	0.339	S	S	*	.	S	Bend	trans	60.6	-3.4	174.2	72.4	0	0	0	0	118.9	T159	S157-T159 PolarHBondContact O-N 3.45Å
158	D	55.9	Low	64.7	Low	32 Å²	32	60.4 Å²	60.4	17%	0.171	31%	0.311	C	S	.	.			trans	-64.6	122.4	176.8	-73	-50.1	0	0	0	111.5	W156 N160 L161 R462	W156-D158 PolarHBondContact O-N 2.59Å; D158-N160 PolarHBondContact O-N 3.07Å; D158-N160 VanDerWaalsContact O-N 3.09Å; D158-L161 HydrophobicContact CB-CD1 4.42Å; D158-L161 VanDerWaalsContact O-CD1 3.23Å; D158-L161 WeakPolarHBondContact O-CD1 3.08Å; D158-L161 PolarHBondContact O-N 3.3Å; D158-R462 IonicContact OD1-CZ 3.45Å; D158-R462 IonicContact OD1-NH1 3.94Å; D158-R462 PolarHBondContact OD1-NH1 3.42Å; D158-R462 IonicContact OD1-NH2 3.85Å; D158-R462 PolarHBondContact OD1-NH2 2.67Å; D158-R462 IonicContact OD2-CZ 2.74Å; D158-R462 IonicContact OD2-NH1 3.23Å; D158-R462 PolarHBondContact OD2-NH1 2.69Å; D158-R462 IonicContact OD2-NH2 3.09Å; D158-R462 PolarHBondContact OD2-NH2 3.01Å
159	T	51.5	Low	66.6	Low	138 Å²	138	59.3 Å²	59.3	85%	0.847	30%	0.303	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.2	-19.8	173.8	60.6	0	0	0	0	113.1	S157	S157-T159 PolarHBondContact O-N 3.45Å
160	N	56.1	Low	68.4	Low	143 Å²	143	57.8 Å²	57.8	77%	0.765	30%	0.299	S	S	*	.	T	Hydrogen-bonded Turn	trans	-106.7	48.8	176.1	-63.5	-30.7	0	0	0	110.8	D158	D158-N160 PolarHBondContact O-N 3.07Å; D158-N160 VanDerWaalsContact O-N 3.09Å
161	L	59.1	Low	70.2	Confident	58 Å²	58	49.2 Å²	49.2	30%	0.304	26%	0.259	S	S	.	.			trans	-48.7	125.9	174.5	-127.9	78.4	0	0	0	110.2	L59 P61 Y155 D158 K163	L59-L161 HydrophobicContact CB-CD2 4.37Å; P61-L161 HydrophobicContact CB-CD2 4.46Å; Y155-L161 WeakPolarHBondContact O-CD1 3.35Å; D158-L161 HydrophobicContact CB-CD1 4.42Å; D158-L161 VanDerWaalsContact O-CD1 3.23Å; D158-L161 WeakPolarHBondContact O-CD1 3.08Å; D158-L161 PolarHBondContact O-N 3.3Å; L161-K163 PolarHBondContact O-N 3.27Å
162	P	60.7	Low	71.3	Confident	43 Å²	43	46 Å²	46	28%	0.279	24%	0.244	S	C	.	.			trans	-66.1	126.7	173.8	27.2	-32	0	0	0	108.4	Y155 H164	Y155-P162 HydrophobicContact CD1-CG 3.52Å; Y155-P162 HydrophobicContact CD2-CG 3.74Å; Y155-P162 HydrophobicContact CE1-CG 3.51Å; Y155-P162 HydrophobicContact CE2-CG 3.71Å; Y155-P162 HydrophobicContact CG-CG 3.63Å; P162-H164 PolarHBondContact O-N 3.16Å
163	K	63.3	Low	71.7	Confident	147 Å²	147	45.3 Å²	45.3	64%	0.639	24%	0.239	S	C	*	.	S	Bend	trans	-57.4	-21	178.8	-67	-178.9	179.7	-179.1	0	112.9	F58 L59 L161	F58-K163 WeakPolarHBondContact CA-O 3.31Å; F58-K163 HydrophobicContact CD2-CB 4.33Å; F58-K163 WeakPolarHBondContact CD2-O 3.49Å; F58-K163 HydrophobicContact CE2-CB 4.01Å; F58-K163 HydrophobicContact CE2-CG 4.46Å; L59-K163 PolarHBondContact N-O 3.19Å; L161-K163 PolarHBondContact O-N 3.27Å
164	H	73.6	Confident	72.1	Confident	77 Å²	77	45.2 Å²	45.2	36%	0.356	24%	0.24	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.3	141.6	-173.8	-67	-66.8	0	0	0	112.8	L30 P56 M57 F58 P162	L30-H164 HydrophobicContact CB-CB 4.3Å; L30-H164 HydrophobicContact CD2-CB 3.92Å; P56-H164 HydrophobicContact CB-CB 4Å; P56-H164 HydrophobicContact CG-CB 4.11Å; M57-H164 CarbonylContact O-C 3.6Å; M57-H164 WeakPolarHBondContact O-CA 3.42Å; M57-H164 PolarHBondContact O-ND1 3.19Å; F58-H164 AromaticContact CD2-CE1 3.71Å; P162-H164 PolarHBondContact O-N 3.16Å
165	T	80.8	Confident	72.4	Confident	3 Å²	3	45.1 Å²	45.1	2%	0.018	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.2	155.4	174	-174.3	0	0	0	0	111.8	M57 L59 C167 C469	M57-T165 HydrophobicContact CB-CG2 4.3Å; M57-T165 PolarHBondContact N-O 3.38Å; M57-T165 PolarHBondContact O-N 2.9Å; L59-T165 HydrophobicContact CD1-CG2 4.12Å; L59-T165 HydrophobicContact CD2-CG2 4.05Å; L59-T165 HydrophobicContact CG-CG2 3.98Å; T165-C167 PolarHBondContact OG1-N 3.08Å; T165-C469 PolarHBondContact OG1-O 3.44Å; T165-C469 VanDerWaalsContact OG1-O 3.12Å
166	C	84.3	Confident	73.1	Confident	0 Å²	0	43.7 Å²	43.7	0%	0	23%	0.234	C	C	.	.	S	Bend	trans	-90	-18.3	172	-58	0	0	0	0	114.2	C35 A38 M57 C469	C35-C166 WeakPolarHBondContact CA-SG 3.36Å; C35-C166 HydrophobicContact CB-CB 3.59Å; C35-C166 WeakPolarHBondContact CB-SG 3.1Å; C35-C166 WeakPolarHBondContact SG-CA 3.45Å; C35-C166 WeakPolarHBondContact SG-CB 3.29Å; C35-C166 CovalentContact SG-SG 2.04Å; C35-C166 PolarHBondContact SG-SG 2.93Å; A38-C166 HydrophobicContact CB-CB 4.08Å; M57-C166 VanDerWaalsContact CE-O 3.3Å; M57-C166 WeakPolarHBondContact CE-O 3.38Å; C166-C469 PolarHBondContact N-O 2.91Å; C166-C469 VanDerWaalsContact N-O 3.11Å
167	C	84.3	Confident	74.2	Confident	5 Å²	5	43.3 Å²	43.3	3%	0.034	23%	0.234	C	C	.	.			trans	-98.5	138.4	-171.7	-65.9	0	0	0	0	112.8	M57 T165 M171 E172 C469	M57-C167 VanDerWaalsContact CE-O 3.3Å; M57-C167 WeakPolarHBondContact CE-O 3.41Å; T165-C167 PolarHBondContact OG1-N 3.08Å; C167-M171 HydrophobicContact CB-CE 4.48Å; C167-M171 HydrophobicContact CB-CG 4.4Å; C167-M171 HydrophobicContact CB-SD 4.09Å; C167-M171 VanDerWaalsContact SG-CE 3.53Å; C167-E172 HydrophobicContact CB-CG 3.69Å; C167-C469 HydrophobicContact CB-CB 3.75Å; C167-C469 WeakPolarHBondContact CB-SG 3.46Å; C167-C469 WeakPolarHBondContact SG-CA 3.19Å; C167-C469 WeakPolarHBondContact SG-CB 3.49Å; C167-C469 CovalentContact SG-SG 2.04Å; C167-C469 PolarHBondContact SG-SG 3.35Å
168	T	82.5	Confident	75.6	Confident	22 Å²	22	41.3 Å²	41.3	14%	0.135	21%	0.213	C	C	.	.			trans	-81.1	159	163.3	63.3	0	0	0	0	109.4	P52 M57 Q170 M171 E172	P52-T168 HydrophobicContact CB-CG2 4.01Å; P52-T168 HydrophobicContact CG-CG2 4.04Å; M57-T168 HydrophobicContact CE-CG2 3.89Å; M57-T168 HydrophobicContact SD-CG2 3.74Å; T168-Q170 PolarHBondContact O-N 3.12Å; T168-M171 WeakPolarHBondContact O-CB 3.32Å; T168-M171 PolarHBondContact O-N 3.32Å; T168-M171 WeakPolarHBondContact OG1-CB 3.44Å; T168-M171 PolarHBondContact OG1-N 3.3Å; T168-M171 VanDerWaalsContact OG1-N 3.08Å; T168-E172 PolarHBondContact O-N 2.85Å
169	F	78	Confident	77.1	Confident	54 Å²	54	39.9 Å²	39.9	24%	0.237	21%	0.206	C	C	.	.	H	α-helix	trans	-57.8	-34.3	174.6	-178.8	-100.2	0	0	0	112.6	Y149 L153 E172 L173	Y149-F169 HydrophobicContact CD1-CD1 4.04Å; Y149-F169 AromaticContact CD1-CE1 3.58Å; Y149-F169 HydrophobicContact CD1-CE1 3.58Å; Y149-F169 HydrophobicContact CD1-CZ 4.27Å; Y149-F169 HydrophobicContact CE1-CE1 4.21Å; Y149-F169 HydrophobicContact CG-CE1 4.46Å; L153-F169 HydrophobicContact CG-CE2 4.38Å; F169-E172 PolarHBondContact O-N 3.34Å; F169-L173 WeakPolarHBondContact O-CB 3.28Å; F169-L173 PolarHBondContact O-N 3Å
170	Q	78.4	Confident	78.7	Confident	50 Å²	50	34 Å²	34	23%	0.234	17%	0.169	C	C	.	.	H	α-helix	trans	-64.5	-43.1	172.8	-72	162.3	-19.8	0	0	112.4	F49 P50 L136 T168 L173 G174	F49-Q170 HydrophobicContact CB-CB 4.4Å; P50-Q170 VanDerWaalsContact CD-OE1 3.25Å; L136-Q170 HydrophobicContact CD2-CG 3.97Å; L136-Q170 VanDerWaalsContact CD2-NE2 3.29Å; T168-Q170 PolarHBondContact O-N 3.12Å; Q170-L173 PolarHBondContact O-N 3.37Å; Q170-G174 PolarHBondContact O-N 3.49Å
171	M	84	Confident	80.1	Confident	1 Å²	1	30.1 Å²	30.1	1%	0.005	15%	0.149	C	C	.	.	H	α-helix	trans	-65.3	-42.5	174.8	-179.6	-178.8	166	0	0	110.8	V39 A42 F49 C167 T168 L173 G174 L175 L468	V39-M171 HydrophobicContact CG2-CE 4.4Å; V39-M171 HydrophobicContact CG2-SD 4.23Å; A42-M171 HydrophobicContact CB-CE 3.6Å; A42-M171 HydrophobicContact CB-CG 4.26Å; A42-M171 HydrophobicContact CB-SD 4.42Å; F49-M171 HydrophobicContact CD1-CB 4.47Å; F49-M171 HydrophobicContact CD2-CB 4.2Å; F49-M171 HydrophobicContact CE1-CB 4.47Å; F49-M171 HydrophobicContact CE1-CG 4.13Å; F49-M171 HydrophobicContact CE2-CB 4.18Å; F49-M171 HydrophobicContact CE2-CG 4.16Å; F49-M171 HydrophobicContact CE2-SD 3.91Å; F49-M171 HydrophobicContact CG-CB 4.35Å; F49-M171 HydrophobicContact CZ-CB 4.33Å; F49-M171 HydrophobicContact CZ-CG 3.9Å; F49-M171 HydrophobicContact CZ-SD 3.84Å; C167-M171 HydrophobicContact CB-CE 4.48Å; C167-M171 HydrophobicContact CB-CG 4.4Å; C167-M171 HydrophobicContact CB-SD 4.09Å; C167-M171 VanDerWaalsContact SG-CE 3.53Å; T168-M171 WeakPolarHBondContact O-CB 3.32Å; T168-M171 PolarHBondContact O-N 3.32Å; T168-M171 WeakPolarHBondContact OG1-CB 3.44Å; T168-M171 PolarHBondContact OG1-N 3.3Å; T168-M171 VanDerWaalsContact OG1-N 3.08Å; M171-L173 PolarHBondContact O-N 3.01Å; M171-G174 PolarHBondContact O-N 3.22Å; M171-L175 HydrophobicContact CE-CD1 4.28Å; M171-L175 HydrophobicContact CG-CD1 3.89Å; M171-L175 VanDerWaalsContact O-CB 3.22Å; M171-L175 WeakPolarHBondContact O-CB 3.48Å; M171-L175 WeakPolarHBondContact O-CD1 3.47Å; M171-L175 WeakPolarHBondContact O-CG 3.03Å; M171-L175 PolarHBondContact O-N 3.49Å; M171-L468 HydrophobicContact CE-CD2 4.16Å; M171-L468 HydrophobicContact CE-CG 4.47Å
172	E	85.5	Confident	81.4	Confident	3 Å²	3	28.9 Å²	28.9	1%	0.014	14%	0.141	C	C	.	.	H	α-helix	trans	-61	-40.7	173.6	-67.3	-173.7	166.7	0	0	112.3	S152 L153 C167 T168 F169 L176 M461	S152-E172 VanDerWaalsContact CA-OE2 3.29Å; S152-E172 WeakPolarHBondContact CA-OE2 3.41Å; S152-E172 PolarHBondContact OG-OE1 3.3Å; S152-E172 PolarHBondContact OG-OE2 2.96Å; L153-E172 HydrophobicContact CB-CB 4.5Å; L153-E172 HydrophobicContact CD1-CB 4.19Å; L153-E172 PolarHBondContact N-OE2 2.84Å; C167-E172 HydrophobicContact CB-CG 3.69Å; T168-E172 PolarHBondContact O-N 2.85Å; F169-E172 PolarHBondContact O-N 3.34Å; E172-L176 VanDerWaalsContact O-CB 3.26Å; E172-L176 WeakPolarHBondContact O-CB 3.37Å; E172-L176 PolarHBondContact O-N 3.39Å; E172-M461 HydrophobicContact CB-CE 4.01Å; E172-M461 HydrophobicContact CG-CE 4.12Å
173	L	82	Confident	82.7	Confident	3 Å²	3	27.2 Å²	27.2	2%	0.016	13%	0.13	C	C	.	.	H	α-helix	trans	-68.2	-43.8	177.4	179.2	60.3	0	0	0	112.7	F122 L123 Y126 F169 Q170 M171 L176 Q177	F122-L173 HydrophobicContact CD1-CD1 4.24Å; F122-L173 HydrophobicContact CE1-CD1 3.7Å; F122-L173 HydrophobicContact CE1-CD2 3.57Å; F122-L173 HydrophobicContact CE1-CG 4.3Å; F122-L173 HydrophobicContact CZ-CD2 3.81Å; L123-L173 HydrophobicContact CD1-CD1 4.35Å; L123-L173 HydrophobicContact CG-CD1 4.38Å; Y126-L173 HydrophobicContact CD2-CD2 3.9Å; Y126-L173 HydrophobicContact CE1-CG 4.48Å; Y126-L173 HydrophobicContact CE2-CD2 3.94Å; Y126-L173 HydrophobicContact CG-CD2 4.2Å; F169-L173 WeakPolarHBondContact O-CB 3.28Å; F169-L173 PolarHBondContact O-N 3Å; Q170-L173 PolarHBondContact O-N 3.37Å; M171-L173 PolarHBondContact O-N 3.01Å; L173-L176 HydrophobicContact CD1-CD2 4.27Å; L173-L176 WeakPolarHBondContact O-CB 3.38Å; L173-L176 PolarHBondContact O-N 3.43Å; L173-Q177 PolarHBondContact O-N 3.11Å
174	G	82.6	Confident	83.8	Confident	5 Å²	5	22.8 Å²	22.8	5%	0.052	11%	0.112	C	C	.	.	H	α-helix	trans	-65.4	-41.6	176.3	0	0	0	0	0	112.4	L47 Q170 M171 Q177 K178	L47-G174 WeakPolarHBondContact CD2-O 3.45Å; Q170-G174 PolarHBondContact O-N 3.49Å; M171-G174 PolarHBondContact O-N 3.22Å; G174-Q177 PolarHBondContact O-N 2.84Å; G174-K178 PolarHBondContact O-N 2.88Å
175	L	87.9	Confident	84.5	Confident	0 Å²	0	23.7 Å²	23.7	0%	0	12%	0.116	C	C	.	.	H	α-helix	trans	-59.8	-49.4	171.2	-75.5	167.8	0	0	0	110.6	A42 M45 L47 M171 Q177 K178 T179 M461 Y465 L468	A42-L175 HydrophobicContact CB-CD2 4.43Å; M45-L175 HydrophobicContact SD-CD2 3.9Å; L47-L175 HydrophobicContact CD1-CB 4.44Å; L47-L175 HydrophobicContact CD1-CD2 3.68Å; L47-L175 HydrophobicContact CD1-CG 3.7Å; M171-L175 HydrophobicContact CE-CD1 4.28Å; M171-L175 HydrophobicContact CG-CD1 3.89Å; M171-L175 VanDerWaalsContact O-CB 3.22Å; M171-L175 WeakPolarHBondContact O-CB 3.48Å; M171-L175 WeakPolarHBondContact O-CD1 3.47Å; M171-L175 WeakPolarHBondContact O-CG 3.03Å; M171-L175 PolarHBondContact O-N 3.49Å; L175-Q177 PolarHBondContact O-N 3.28Å; L175-K178 WeakPolarHBondContact O-CB 3.5Å; L175-K178 PolarHBondContact O-N 3.11Å; L175-T179 PolarHBondContact O-N 3.27Å; L175-M461 HydrophobicContact CB-CE 3.85Å; L175-M461 HydrophobicContact CB-SD 4.09Å; L175-M461 HydrophobicContact CD1-CE 4.06Å; L175-Y465 HydrophobicContact CB-CD2 3.57Å; L175-Y465 HydrophobicContact CB-CE2 4.25Å; L175-Y465 HydrophobicContact CB-CG 4.07Å; L175-Y465 HydrophobicContact CD2-CD1 4.02Å; L175-Y465 HydrophobicContact CD2-CD2 3.75Å; L175-Y465 HydrophobicContact CD2-CE1 4.36Å; L175-Y465 HydrophobicContact CD2-CE2 4.04Å; L175-Y465 HydrophobicContact CD2-CG 3.74Å; L175-Y465 HydrophobicContact CG-CD2 4.23Å; L175-Y465 HydrophobicContact CG-CG 4.36Å; L175-Y465 VanDerWaalsContact O-CD2 3.25Å; L175-Y465 WeakPolarHBondContact O-CD2 3.43Å; L175-Y465 WeakPolarHBondContact O-CE2 3.22Å; L175-L468 HydrophobicContact CD1-CD2 4.13Å; L175-L468 HydrophobicContact CD2-CD2 4.12Å
176	L	87.3	Confident	84.9	Confident	0 Å²	0	24.1 Å²	24.1	0%	0	12%	0.119	C	C	.	.	H	α-helix	trans	-54.3	-52.2	174.6	166.2	67.5	0	0	0	111.6	L123 L153 E172 L173 K178 T179 T180 M457 M461	L123-L176 HydrophobicContact CD1-CD2 4.21Å; L123-L176 HydrophobicContact CD2-CG 4.39Å; L153-L176 HydrophobicContact CD1-CB 4.35Å; L153-L176 HydrophobicContact CD1-CD2 3.84Å; E172-L176 VanDerWaalsContact O-CB 3.26Å; E172-L176 WeakPolarHBondContact O-CB 3.37Å; E172-L176 PolarHBondContact O-N 3.39Å; L173-L176 HydrophobicContact CD1-CD2 4.27Å; L173-L176 WeakPolarHBondContact O-CB 3.38Å; L173-L176 PolarHBondContact O-N 3.43Å; L176-K178 PolarHBondContact O-N 3.05Å; L176-T179 WeakPolarHBondContact O-CA 3.08Å; L176-T179 WeakPolarHBondContact O-CB 3.28Å; L176-T179 PolarHBondContact O-N 3.41Å; L176-T179 PolarHBondContact O-OG1 2.76Å; L176-T180 HydrophobicContact CD1-CG2 4.03Å; L176-T180 HydrophobicContact CG-CG2 4.45Å; L176-T180 WeakPolarHBondContact O-CG2 3.23Å; L176-T180 PolarHBondContact O-N 2.78Å; L176-M457 HydrophobicContact CD1-CG 3.74Å; L176-M457 HydrophobicContact CD2-CE 3.67Å; L176-M457 HydrophobicContact CD2-CG 3.38Å; L176-M457 HydrophobicContact CD2-SD 3.57Å; L176-M457 VanDerWaalsContact CD2-SD 3.57Å; L176-M457 HydrophobicContact CG-CG 4.15Å; L176-M461 HydrophobicContact CB-SD 4.23Å; L176-M461 HydrophobicContact CD1-CB 4.41Å
177	Q	83.7	Confident	85.2	Confident	33 Å²	33	24.1 Å²	24.1	15%	0.154	12%	0.119	C	C	.	.	H	α-helix	trans	-54.5	-44.5	179.6	-172.6	-162.1	-38.5	0	0	110.6	L123 L173 G174 L175 T179 T180 D181	L123-Q177 HydrophobicContact CD2-CB 3.97Å; L123-Q177 HydrophobicContact CD2-CG 4.14Å; L173-Q177 PolarHBondContact O-N 3.11Å; G174-Q177 PolarHBondContact O-N 2.84Å; L175-Q177 PolarHBondContact O-N 3.28Å; Q177-T179 VanDerWaalsContact C-N 3.33Å; Q177-T179 PolarHBondContact O-N 2.98Å; Q177-T180 WeakPolarHBondContact CA-OG1 3.22Å; Q177-T180 WeakPolarHBondContact O-CA 3.44Å; Q177-T180 PolarHBondContact O-N 3.08Å; Q177-T180 PolarHBondContact O-OG1 2.9Å; Q177-D181 PolarHBondContact NE2-OD2 3.32Å; Q177-D181 PolarHBondContact O-N 3.29Å
178	K	86.8	Confident	85.4	Confident	50 Å²	50	25.2 Å²	25.2	22%	0.217	13%	0.127	C	C	.	.	H	α-helix	trans	-58.5	-42.3	176.1	-174	169.1	-178.8	168.1	0	112.4	M45 G174 L175 L176 T180 D181 E182 Y465	M45-K178 HydrophobicContact CB-CD 4.19Å; M45-K178 VanDerWaalsContact CB-NZ 3.34Å; M45-K178 PolarHBondContact O-NZ 3.06Å; M45-K178 HydrophobicContact SD-CD 4.17Å; G174-K178 PolarHBondContact O-N 2.88Å; L175-K178 WeakPolarHBondContact O-CB 3.5Å; L175-K178 PolarHBondContact O-N 3.11Å; L176-K178 PolarHBondContact O-N 3.05Å; K178-T180 VanDerWaalsContact C-N 3.3Å; K178-T180 PolarHBondContact O-N 2.04Å; K178-D181 PolarHBondContact O-N 2.86Å; K178-E182 WeakPolarHBondContact CE-OE1 3.07Å; K178-E182 HydrophobicContact CG-CG 4.32Å; K178-E182 IonicContact NZ-OE1 2.7Å; K178-E182 WeakPolarHBondContact O-CB 3.47Å; K178-E182 VanDerWaalsContact O-CG 3.31Å; K178-E182 WeakPolarHBondContact O-CG 3.28Å; K178-E182 PolarHBondContact O-N 3.03Å; K178-Y465 HydrophobicContact CB-CE2 4.19Å; K178-Y465 WeakPolarHBondContact CD-OH 3.45Å; K178-Y465 HydrophobicContact CG-CE2 4.41Å
179	T	87.2	Confident	85.8	Confident	2 Å²	2	28.8 Å²	28.8	1%	0.012	15%	0.145	C	C	.	.	H	α-helix	trans	-59.6	-41.2	171.6	73.1	0	0	0	0	111.9	L175 L176 Q177 L183 H464 Y465	L175-T179 PolarHBondContact O-N 3.27Å; L176-T179 WeakPolarHBondContact O-CA 3.08Å; L176-T179 WeakPolarHBondContact O-CB 3.28Å; L176-T179 PolarHBondContact O-N 3.41Å; L176-T179 PolarHBondContact O-OG1 2.76Å; Q177-T179 VanDerWaalsContact C-N 3.33Å; Q177-T179 PolarHBondContact O-N 2.98Å; T179-L183 WeakPolarHBondContact O-CB 3.47Å; T179-L183 WeakPolarHBondContact O-CD1 3.02Å; T179-L183 WeakPolarHBondContact O-CG 3.4Å; T179-L183 PolarHBondContact O-N 2.91Å; T179-H464 HydrophobicContact CG2-CB 3.86Å; T179-Y465 HydrophobicContact CG2-CD2 3.32Å; T179-Y465 HydrophobicContact CG2-CE2 3.33Å; T179-Y465 HydrophobicContact CG2-CG 4.35Å
180	T	84.9	Confident	86.4	Confident	14 Å²	14	27.3 Å²	27.3	9%	0.086	14%	0.138	C	C	.	.	H	α-helix	trans	-67.8	-43	-177	65.8	0	0	0	0	111.7	L123 L176 Q177 K178 H184 A452	L123-T180 HydrophobicContact CD2-CG2 4.18Å; L176-T180 HydrophobicContact CD1-CG2 4.03Å; L176-T180 HydrophobicContact CG-CG2 4.45Å; L176-T180 WeakPolarHBondContact O-CG2 3.23Å; L176-T180 PolarHBondContact O-N 2.78Å; Q177-T180 WeakPolarHBondContact CA-OG1 3.22Å; Q177-T180 WeakPolarHBondContact O-CA 3.44Å; Q177-T180 PolarHBondContact O-N 3.08Å; Q177-T180 PolarHBondContact O-OG1 2.9Å; K178-T180 VanDerWaalsContact C-N 3.3Å; K178-T180 PolarHBondContact O-N 2.04Å; T180-H184 WeakPolarHBondContact O-CB 3.16Å; T180-H184 PolarHBondContact O-N 3.2Å; T180-A452 HydrophobicContact CG2-CB 3.4Å; T180-A452 VanDerWaalsContact CG2-CB 3.4Å
181	D	84.8	Confident	87	Confident	63 Å²	63	24.9 Å²	24.9	34%	0.337	13%	0.127	S	C	.	.	H	α-helix	trans	-69.9	-39.3	179.8	-64.8	-22.2	0	0	0	110.7	R127 Q177 K178 Q185	R127-D181 IonicContact CZ-OD1 3.51Å; R127-D181 IonicContact NE-OD1 3.14Å; R127-D181 IonicContact NH2-OD1 2.99Å; R127-D181 PolarHBondContact NH2-OD1 3.29Å; Q177-D181 PolarHBondContact NE2-OD2 3.32Å; Q177-D181 PolarHBondContact O-N 3.29Å; K178-D181 PolarHBondContact O-N 2.86Å; D181-Q185 WeakPolarHBondContact O-CB 3.44Å; D181-Q185 PolarHBondContact O-N 3.38Å
182	E	87.4	Confident	87.3	Confident	31 Å²	31	25.9 Å²	25.9	15%	0.145	14%	0.137	C	C	.	.	H	α-helix	trans	-67.3	-39.8	174.8	-73.3	-177.8	171.6	0	0	113.2	K178 S186 Y619	K178-E182 WeakPolarHBondContact CE-OE1 3.07Å; K178-E182 HydrophobicContact CG-CG 4.32Å; K178-E182 IonicContact NZ-OE1 2.7Å; K178-E182 WeakPolarHBondContact O-CB 3.47Å; K178-E182 VanDerWaalsContact O-CG 3.31Å; K178-E182 WeakPolarHBondContact O-CG 3.28Å; K178-E182 PolarHBondContact O-N 3.03Å; E182-S186 WeakPolarHBondContact O-CB 3.06Å; E182-S186 PolarHBondContact O-N 3.09Å; E182-S186 VanDerWaalsContact O-N 3.1Å; E182-S186 PolarHBondContact O-OG 3.26Å; E182-Y619 HydrophobicContact CB-CD1 4.2Å; E182-Y619 HydrophobicContact CB-CD2 3.89Å; E182-Y619 HydrophobicContact CB-CE1 4.25Å; E182-Y619 HydrophobicContact CB-CE2 3.94Å; E182-Y619 HydrophobicContact CB-CG 4.02Å; E182-Y619 HydrophobicContact CG-CD1 3.88Å; E182-Y619 HydrophobicContact CG-CD2 4.36Å; E182-Y619 HydrophobicContact CG-CE1 3.65Å; E182-Y619 HydrophobicContact CG-CE2 4.16Å; E182-Y619 HydrophobicContact CG-CG 4.23Å; E182-Y619 WeakPolarHBondContact OE1-CE1 3.34Å; E182-Y619 WeakPolarHBondContact OE2-CD1 3.16Å
183	L	87.8	Confident	87.6	Confident	8 Å²	8	31.9 Å²	31.9	4%	0.042	16%	0.159	C	C	.	.	H	α-helix	trans	-71.7	-39.4	176.2	-69.9	167.6	0	0	0	111.9	T179 S186 L187 I451 L460 L620	T179-L183 WeakPolarHBondContact O-CB 3.47Å; T179-L183 WeakPolarHBondContact O-CD1 3.02Å; T179-L183 WeakPolarHBondContact O-CG 3.4Å; T179-L183 PolarHBondContact O-N 2.91Å; L183-S186 WeakPolarHBondContact O-CB 3.28Å; L183-S186 PolarHBondContact O-N 3.23Å; L183-L187 WeakPolarHBondContact O-CB 3.45Å; L183-L187 PolarHBondContact O-N 2.74Å; L183-I451 HydrophobicContact CB-CD1 3.81Å; L183-L460 HydrophobicContact CD1-CD1 4.01Å; L183-L460 HydrophobicContact CD1-CD2 3.75Å; L183-L460 HydrophobicContact CD1-CG 4.4Å; L183-L620 HydrophobicContact CD2-CD1 3.72Å; L183-L620 HydrophobicContact CD2-CD2 4.42Å; L183-L620 HydrophobicContact CD2-CG 4.33Å
184	H	86.4	Confident	88.1	Confident	55 Å²	55	32.6 Å²	32.6	26%	0.255	16%	0.162	S	C	.	.	H	α-helix	trans	-61.6	-46.8	175.2	-173	108.2	0	0	0	111	T180 S186 L187 S188 N448	T180-H184 WeakPolarHBondContact O-CB 3.16Å; T180-H184 PolarHBondContact O-N 3.2Å; H184-S186 VanDerWaalsContact C-N 3.29Å; H184-S186 PolarHBondContact O-N 3.34Å; H184-L187 PolarHBondContact O-N 2.72Å; H184-S188 VanDerWaalsContact O-CB 3.23Å; H184-S188 WeakPolarHBondContact O-CB 3.45Å; H184-S188 PolarHBondContact O-N 2.83Å; H184-N448 VanDerWaalsContact CE1-CA 3.47Å; H184-N448 WeakPolarHBondContact CE1-CA 3.5Å; H184-N448 PolarHBondContact NE2-OD1 3.48Å; H184-N448 VanDerWaalsContact NE2-OD1 3.14Å
185	Q	88.8	Confident	88.5	Confident	96 Å²	96	34.2 Å²	34.2	45%	0.449	17%	0.168	S	C	.	.	H	α-helix	trans	-60.7	-39.6	174.2	-173.4	62.1	61.7	0	0	111.7	D181 N189	D181-Q185 WeakPolarHBondContact O-CB 3.44Å; D181-Q185 PolarHBondContact O-N 3.38Å; Q185-N189 PolarHBondContact NE2-OD1 3.36Å; Q185-N189 VanDerWaalsContact O-CB 3.32Å; Q185-N189 WeakPolarHBondContact O-CB 3.39Å; Q185-N189 PolarHBondContact O-N 3.31Å; Q185-N189 PolarHBondContact O-ND2 3.17Å; Q185-N189 PolarHBondContact O-OD1 3.5Å
186	S	89.4	Confident	88.8	Confident	12 Å²	12	40.5 Å²	40.5	8%	0.084	20%	0.196	C	C	.	.	H	α-helix	trans	-66.4	-41.1	178	-58.8	0	0	0	0	112.3	E182 L183 H184 Y190 L613	E182-S186 WeakPolarHBondContact O-CB 3.06Å; E182-S186 PolarHBondContact O-N 3.09Å; E182-S186 VanDerWaalsContact O-N 3.1Å; E182-S186 PolarHBondContact O-OG 3.26Å; L183-S186 WeakPolarHBondContact O-CB 3.28Å; L183-S186 PolarHBondContact O-N 3.23Å; H184-S186 VanDerWaalsContact C-N 3.29Å; H184-S186 PolarHBondContact O-N 3.34Å; S186-Y190 PolarHBondContact O-N 3.47Å; S186-Y190 VanDerWaalsContact O-N 3.1Å; S186-L613 VanDerWaalsContact CB-CD2 3.4Å
187	L	88.8	Confident	89	Confident	0 Å²	0	42.6 Å²	42.6	0%	0	21%	0.205	C	C	.	.	H	α-helix	trans	-69.6	-44.2	177	178.6	62.1	0	0	0	111.5	L183 H184 N189 Y190 L191 F449 I451 L490 L493 L613	L183-L187 WeakPolarHBondContact O-CB 3.45Å; L183-L187 PolarHBondContact O-N 2.74Å; H184-L187 PolarHBondContact O-N 2.72Å; L187-N189 VanDerWaalsContact C-N 3.32Å; L187-N189 PolarHBondContact O-N 3Å; L187-Y190 PolarHBondContact O-N 3.35Å; L187-L191 HydrophobicContact CD1-CD1 3.85Å; L187-L191 HydrophobicContact CD1-CG 4.03Å; L187-L191 HydrophobicContact CG-CD1 4.01Å; L187-L191 HydrophobicContact CG-CG 4.47Å; L187-L191 WeakPolarHBondContact O-CB 3.27Å; L187-L191 WeakPolarHBondContact O-CG 3.23Å; L187-L191 PolarHBondContact O-N 2.85Å; L187-F449 HydrophobicContact CD2-CB 4.28Å; L187-F449 HydrophobicContact CD2-CD1 4.32Å; L187-I451 HydrophobicContact CB-CD1 4.25Å; L187-I451 HydrophobicContact CD2-CD1 3.96Å; L187-I451 HydrophobicContact CD2-CG1 4.01Å; L187-L490 HydrophobicContact CD2-CD2 4.49Å; L187-L493 HydrophobicContact CD2-CD1 4.33Å; L187-L613 HydrophobicContact CB-CD2 4.35Å; L187-L613 HydrophobicContact CD1-CD1 4.4Å
188	S	88.8	Confident	89.3	Confident	27 Å²	27	41.2 Å²	41.2	19%	0.189	20%	0.199	C	C	.	.	H	α-helix	trans	-61.9	-37.7	176.1	-175	0	0	0	0	111.9	H184 G192	H184-S188 VanDerWaalsContact O-CB 3.23Å; H184-S188 WeakPolarHBondContact O-CB 3.45Å; H184-S188 PolarHBondContact O-N 2.83Å; S188-G192 WeakPolarHBondContact O-CA 3.23Å; S188-G192 PolarHBondContact O-N 3.01Å
189	N	90.6	Very high	89.5	Confident	97 Å²	97	40.2 Å²	40.2	52%	0.519	20%	0.198	S	C	.	.	H	α-helix	trans	-63.3	-47.7	171.6	-73.4	-13	0	0	0	112.2	Q185 L187 G192 R193	Q185-N189 PolarHBondContact NE2-OD1 3.36Å; Q185-N189 VanDerWaalsContact O-CB 3.32Å; Q185-N189 WeakPolarHBondContact O-CB 3.39Å; Q185-N189 PolarHBondContact O-N 3.31Å; Q185-N189 PolarHBondContact O-ND2 3.17Å; Q185-N189 PolarHBondContact O-OD1 3.5Å; L187-N189 VanDerWaalsContact C-N 3.32Å; L187-N189 PolarHBondContact O-N 3Å; N189-G192 PolarHBondContact O-N 3.38Å; N189-R193 PolarHBondContact O-N 3.26Å; N189-R193 VanDerWaalsContact O-N 3.12Å
190	Y	91.1	Very high	89.7	Confident	23 Å²	23	44.5 Å²	44.5	9%	0.09	22%	0.217	C	C	.	.	H	α-helix	trans	-62	-48.7	179.5	175.6	-99.9	0	0	0	112.2	S186 L187 R193 W194 I605 A612	S186-Y190 PolarHBondContact O-N 3.47Å; S186-Y190 VanDerWaalsContact O-N 3.1Å; L187-Y190 PolarHBondContact O-N 3.35Å; Y190-R193 WeakPolarHBondContact O-CB 3.43Å; Y190-R193 PolarHBondContact O-N 3.42Å; Y190-W194 AromaticContact CE1-NE1 3.97Å; Y190-W194 AromaticContact CE2-NE1 3.71Å; Y190-W194 AromaticContact CZ-NE1 3.51Å; Y190-I605 HydrophobicContact CE1-CB 4.45Å; Y190-A612 HydrophobicContact CD2-CB 3.54Å; Y190-A612 HydrophobicContact CE2-CB 3.34Å; Y190-A612 HydrophobicContact CG-CB 4.32Å
191	L	90.9	Very high	89.9	Confident	0 Å²	0	44 Å²	44	0%	0	21%	0.213	C	C	.	.	H	α-helix	trans	-70.1	-33.9	177.2	-67.3	-179.8	0	0	0	111.9	L187 R193 W194 H195 I443 L446 K447 W606	L187-L191 HydrophobicContact CD1-CD1 3.85Å; L187-L191 HydrophobicContact CD1-CG 4.03Å; L187-L191 HydrophobicContact CG-CD1 4.01Å; L187-L191 HydrophobicContact CG-CG 4.47Å; L187-L191 WeakPolarHBondContact O-CB 3.27Å; L187-L191 WeakPolarHBondContact O-CG 3.23Å; L187-L191 PolarHBondContact O-N 2.85Å; L191-R193 VanDerWaalsContact C-N 3.31Å; L191-R193 PolarHBondContact O-N 3.21Å; L191-W194 PolarHBondContact O-N 3.39Å; L191-H195 WeakPolarHBondContact O-CB 3.44Å; L191-H195 PolarHBondContact O-N 2.72Å; L191-I443 HydrophobicContact CB-CG2 3.84Å; L191-I443 HydrophobicContact CD2-CG2 4.3Å; L191-I443 VanDerWaalsContact O-CG2 3.3Å; L191-I443 WeakPolarHBondContact O-CG2 3.49Å; L191-L446 HydrophobicContact CD1-CB 4.38Å; L191-L446 WeakPolarHBondContact CD1-O 3.47Å; L191-K447 HydrophobicContact CB-CG 3.98Å; L191-W606 HydrophobicContact CD1-CZ3 4.06Å; L191-W606 HydrophobicContact CD2-CE3 4.48Å; L191-W606 HydrophobicContact CD2-CH2 4.01Å; L191-W606 HydrophobicContact CD2-CZ3 3.68Å
192	G	90.9	Very high	90.1	Very high	21 Å²	21	43.4 Å²	43.4	22%	0.216	21%	0.207	C	C	.	.	H	α-helix	trans	-59.3	-35.9	174	0	0	0	0	0	113.9	S188 N189 K196	S188-G192 WeakPolarHBondContact O-CA 3.23Å; S188-G192 PolarHBondContact O-N 3.01Å; N189-G192 PolarHBondContact O-N 3.38Å; G192-K196 WeakPolarHBondContact O-CB 3.38Å; G192-K196 PolarHBondContact O-N 3.12Å
193	R	92.1	Very high	90.1	Very high	129 Å²	129	45 Å²	45	49%	0.487	22%	0.218	S	C	.	.	H	α-helix	trans	-59.4	-51.6	171.4	178.5	179.7	169.9	-175.8	-5.1	111.3	N189 Y190 L191 K196 E197	N189-R193 PolarHBondContact O-N 3.26Å; N189-R193 VanDerWaalsContact O-N 3.12Å; Y190-R193 WeakPolarHBondContact O-CB 3.43Å; Y190-R193 PolarHBondContact O-N 3.42Å; L191-R193 VanDerWaalsContact C-N 3.31Å; L191-R193 PolarHBondContact O-N 3.21Å; R193-K196 PolarHBondContact O-N 3.11Å; R193-E197 PolarHBondContact O-N 2.85Å; R193-E197 VanDerWaalsContact O-N 3.13Å
194	W	91.9	Very high	90.1	Very high	18 Å²	18	46 Å²	46	7%	0.068	23%	0.227	C	C	.	.	H	α-helix	trans	-69.9	-40.7	-176.8	-63.6	119.1	0	0	0	113.3	Y190 L191 K196 E197 L198 I443 E601 I602 I605	Y190-W194 AromaticContact CE1-NE1 3.97Å; Y190-W194 AromaticContact CE2-NE1 3.71Å; Y190-W194 AromaticContact CZ-NE1 3.51Å; L191-W194 PolarHBondContact O-N 3.39Å; W194-K196 VanDerWaalsContact C-N 3.27Å; W194-K196 PolarHBondContact O-N 3.41Å; W194-E197 PolarHBondContact O-N 3.1Å; W194-L198 PolarHBondContact O-N 3.3Å; W194-I443 HydrophobicContact CB-CD1 4.16Å; W194-E601 HydrophobicContact CH2-CB 3.83Å; W194-E601 WeakPolarHBondContact CH2-OE2 3.47Å; W194-E601 HydrophobicContact CZ3-CB 4.02Å; W194-E601 WeakPolarHBondContact CZ3-OE2 3.25Å; W194-I602 HydrophobicContact CD2-CG1 3.91Å; W194-I602 HydrophobicContact CE3-CD1 3.76Å; W194-I602 HydrophobicContact CE3-CG1 3.34Å; W194-I602 HydrophobicContact CG-CG1 4.48Å; W194-I602 HydrophobicContact CZ3-CD1 4.34Å; W194-I602 HydrophobicContact CZ3-CG1 3.75Å; W194-I605 HydrophobicContact CD2-CG2 4.19Å; W194-I605 HydrophobicContact CG-CG2 3.96Å
195	H	91.7	Very high	90	Very high	39 Å²	39	43.3 Å²	43.3	18%	0.181	22%	0.215	C	C	.	.	H	α-helix	trans	-55	-42.9	170.2	166	104.1	0	0	0	111.5	L191 L198 S199 E440 I443 D444 K447	L191-H195 WeakPolarHBondContact O-CB 3.44Å; L191-H195 PolarHBondContact O-N 2.72Å; H195-L198 PolarHBondContact O-N 2.74Å; H195-S199 VanDerWaalsContact O-CB 3.31Å; H195-S199 WeakPolarHBondContact O-CB 3.41Å; H195-S199 PolarHBondContact O-N 2.85Å; H195-E440 PolarHBondContact ND1-O 3.41Å; H195-I443 HydrophobicContact CB-CB 4.43Å; H195-I443 HydrophobicContact CB-CG2 3.81Å; H195-D444 IonicContact CE1-OD1 3.77Å; H195-D444 PolarHBondContact CE1-OD1 2.97Å; H195-D444 IonicContact ND1-OD1 2.79Å; H195-D444 IonicContact NE2-OD1 2.72Å; H195-K447 PolarHBondContact CD2-NZ 2.89Å; H195-K447 VanDerWaalsContact CD2-NZ 3.25Å; H195-K447 PolarHBondContact CE1-NZ 3.19Å; H195-K447 PolarHBondContact NE2-NZ 2.93Å
196	K	92.9	Very high	89.8	Confident	133 Å²	133	43.7 Å²	43.7	58%	0.578	21%	0.213	S	C	*	.	H	α-helix	trans	-65.7	-37.7	177.3	-171.6	172.4	-175.1	172.2	0	113.2	G192 R193 W194 K200	G192-K196 WeakPolarHBondContact O-CB 3.38Å; G192-K196 PolarHBondContact O-N 3.12Å; R193-K196 PolarHBondContact O-N 3.11Å; W194-K196 VanDerWaalsContact C-N 3.27Å; W194-K196 PolarHBondContact O-N 3.41Å; K196-K200 WeakPolarHBondContact O-CD 3.39Å; K196-K200 VanDerWaalsContact O-CG 3.3Å; K196-K200 WeakPolarHBondContact O-CG 3.17Å; K196-K200 PolarHBondContact O-N 3.46Å
197	E	91.8	Very high	89.5	Confident	44 Å²	44	47.6 Å²	47.6	21%	0.206	23%	0.233	C	C	.	.	H	α-helix	trans	-71.8	-37.5	175.5	-58.9	-44.8	125.9	0	0	112.8	R193 W194 K200 L201	R193-E197 PolarHBondContact O-N 2.85Å; R193-E197 VanDerWaalsContact O-N 3.13Å; W194-E197 PolarHBondContact O-N 3.1Å; E197-K200 IonicContact OE1-NZ 2.69Å; E197-K200 PolarHBondContact OE1-NZ 3.37Å; E197-K200 WeakPolarHBondContact OE2-CD 3.34Å; E197-K200 IonicContact OE2-NZ 3.87Å; E197-K200 PolarHBondContact OE2-NZ 2.6Å; E197-L201 WeakPolarHBondContact O-CD1 3.48Å; E197-L201 WeakPolarHBondContact O-CG 3.5Å; E197-L201 PolarHBondContact O-N 3.04Å; E197-L201 VanDerWaalsContact O-N 3.11Å
198	L	90.3	Very high	89.2	Confident	3 Å²	3	48.1 Å²	48.1	2%	0.016	24%	0.235	C	C	.	.	H	α-helix	trans	-63.5	-43.9	171	-69.7	-176.2	0	0	0	111.9	W194 H195 K200 L201 R202 L436 E440 I443 M599 I602	W194-L198 PolarHBondContact O-N 3.3Å; H195-L198 PolarHBondContact O-N 2.74Å; L198-K200 PolarHBondContact O-N 3.14Å; L198-L201 WeakPolarHBondContact O-CB 3.34Å; L198-L201 PolarHBondContact O-N 3.44Å; L198-L201 VanDerWaalsContact O-N 3.12Å; L198-R202 PolarHBondContact O-N 2.92Å; L198-L436 HydrophobicContact CD2-CD2 4.36Å; L198-E440 HydrophobicContact CB-CB 4.45Å; L198-I443 HydrophobicContact CD1-CD1 3.79Å; L198-M599 HydrophobicContact CD2-CE 3.63Å; L198-I602 HydrophobicContact CD2-CD1 3.82Å; L198-I602 HydrophobicContact CG-CD1 4.12Å
199	S	90.3	Very high	88.7	Confident	29 Å²	29	47 Å²	47	20%	0.203	23%	0.227	C	C	.	.	H	α-helix	trans	-59.4	-46.8	177.6	-158.3	0	0	0	0	111.4	H195 L201 R202 T203 E440	H195-S199 VanDerWaalsContact O-CB 3.31Å; H195-S199 WeakPolarHBondContact O-CB 3.41Å; H195-S199 PolarHBondContact O-N 2.85Å; S199-L201 VanDerWaalsContact C-N 3.32Å; S199-L201 PolarHBondContact O-N 3.49Å; S199-R202 PolarHBondContact O-N 3.43Å; S199-T203 WeakPolarHBondContact O-CG2 3.43Å; S199-T203 PolarHBondContact O-N 2.82Å; S199-T203 PolarHBondContact O-OG1 2.89Å; S199-E440 WeakPolarHBondContact CA-OE2 3.17Å; S199-E440 VanDerWaalsContact CB-CD 3.49Å; S199-E440 WeakPolarHBondContact CB-OE1 3.38Å; S199-E440 PolarHBondContact OG-OE1 2.84Å
200	K	91.6	Very high	88.1	Confident	93 Å²	93	45.4 Å²	45.4	40%	0.404	22%	0.217	S	C	.	.	H	α-helix	trans	-55.9	-40.2	172.2	-78.6	161.6	159.4	179.7	0	113.5	K196 E197 L198 T203 A204	K196-K200 WeakPolarHBondContact O-CD 3.39Å; K196-K200 VanDerWaalsContact O-CG 3.3Å; K196-K200 WeakPolarHBondContact O-CG 3.17Å; K196-K200 PolarHBondContact O-N 3.46Å; E197-K200 IonicContact OE1-NZ 2.69Å; E197-K200 PolarHBondContact OE1-NZ 3.37Å; E197-K200 WeakPolarHBondContact OE2-CD 3.34Å; E197-K200 IonicContact OE2-NZ 3.87Å; E197-K200 PolarHBondContact OE2-NZ 2.6Å; L198-K200 PolarHBondContact O-N 3.14Å; K200-T203 PolarHBondContact O-OG1 3.29Å; K200-T203 VanDerWaalsContact O-OG1 3.09Å; K200-A204 WeakPolarHBondContact O-CB 3.34Å; K200-A204 PolarHBondContact O-N 3.1Å
201	L	89.9	Confident	87.6	Confident	2 Å²	2	48.7 Å²	48.7	1%	0.01	23%	0.234	C	C	.	.	H	α-helix	trans	-70.3	-40.1	178.5	-72.5	161.7	0	0	0	111.3	E197 L198 S199 L205 Q594 M595 T598	E197-L201 WeakPolarHBondContact O-CD1 3.48Å; E197-L201 WeakPolarHBondContact O-CG 3.5Å; E197-L201 PolarHBondContact O-N 3.04Å; E197-L201 VanDerWaalsContact O-N 3.11Å; L198-L201 WeakPolarHBondContact O-CB 3.34Å; L198-L201 PolarHBondContact O-N 3.44Å; L198-L201 VanDerWaalsContact O-N 3.12Å; S199-L201 VanDerWaalsContact C-N 3.32Å; S199-L201 PolarHBondContact O-N 3.49Å; L201-L205 VanDerWaalsContact O-CB 3.28Å; L201-L205 WeakPolarHBondContact O-CB 3.32Å; L201-L205 PolarHBondContact O-N 3.07Å; L201-Q594 HydrophobicContact CD2-CB 4.45Å; L201-Q594 HydrophobicContact CD2-CG 4.14Å; L201-M595 HydrophobicContact CD2-CB 4.32Å; L201-T598 HydrophobicContact CD1-CG2 4.14Å; L201-T598 WeakPolarHBondContact CD1-OG1 3.13Å
202	R	88.4	Confident	86.9	Confident	52 Å²	52	48.7 Å²	48.7	20%	0.196	23%	0.234	C	C	.	.	H	α-helix	trans	-65.2	-42.9	175.6	-173.9	174.6	56.6	93.6	5	111.6	L198 S199 R206 I433 L436 E440	L198-R202 PolarHBondContact O-N 2.92Å; S199-R202 PolarHBondContact O-N 3.43Å; R202-R206 WeakPolarHBondContact O-CB 3.3Å; R202-R206 PolarHBondContact O-N 3.27Å; R202-I433 HydrophobicContact CG-CG2 4.21Å; R202-L436 HydrophobicContact CB-CB 4.07Å; R202-L436 HydrophobicContact CB-CD1 4.38Å; R202-L436 HydrophobicContact CG-CB 4.34Å; R202-E440 IonicContact CZ-OE1 2.72Å; R202-E440 IonicContact CZ-OE2 3.56Å; R202-E440 IonicContact NE-OE2 3.34Å; R202-E440 PolarHBondContact NE-OE2 2.66Å; R202-E440 IonicContact NH2-OE1 3.85Å; R202-E440 PolarHBondContact NH2-OE1 2.98Å; R202-E440 IonicContact NH2-OE2 3.72Å; R202-E440 PolarHBondContact NH2-OE2 2.96Å
203	T	87.2	Confident	86.1	Confident	63 Å²	63	48.5 Å²	48.5	39%	0.387	23%	0.228	S	C	.	.	H	α-helix	trans	-66.4	-48.5	174.2	59.9	0	0	0	0	111	S199 K200 L205 R206 D207	S199-T203 WeakPolarHBondContact O-CG2 3.43Å; S199-T203 PolarHBondContact O-N 2.82Å; S199-T203 PolarHBondContact O-OG1 2.89Å; K200-T203 PolarHBondContact O-OG1 3.29Å; K200-T203 VanDerWaalsContact O-OG1 3.09Å; T203-L205 VanDerWaalsContact C-N 3.29Å; T203-L205 PolarHBondContact O-N 3.48Å; T203-R206 CarbonylContact O-C 3.39Å; T203-R206 WeakPolarHBondContact O-CA 3.04Å; T203-R206 WeakPolarHBondContact O-CB 3.29Å; T203-R206 PolarHBondContact O-N 3.29Å; T203-D207 WeakPolarHBondContact O-CB 3.37Å; T203-D207 PolarHBondContact O-N 2.7Å
204	A	88	Confident	85.3	Confident	29 Å²	29	45.1 Å²	45.1	24%	0.24	22%	0.218	C	C	.	.	H	α-helix	trans	-57.9	-39.9	178.2	0	0	0	0	0	112.6	K200 Q208 I591	K200-A204 WeakPolarHBondContact O-CB 3.34Å; K200-A204 PolarHBondContact O-N 3.1Å; A204-Q208 WeakPolarHBondContact O-CB 3.29Å; A204-Q208 PolarHBondContact O-N 2.8Å; A204-I591 HydrophobicContact CB-CD1 4.24Å; A204-I591 HydrophobicContact CB-CG1 4.43Å
205	L	85.6	Confident	84.6	Confident	0 Å²	0	46.6 Å²	46.6	0%	0	23%	0.226	C	C	.	.	H	α-helix	trans	-66.7	-42.6	173.6	-177.3	63.4	0	0	0	111.9	L201 T203 Q208 L209 L432 I433 L436 F592 M595	L201-L205 VanDerWaalsContact O-CB 3.28Å; L201-L205 WeakPolarHBondContact O-CB 3.32Å; L201-L205 PolarHBondContact O-N 3.07Å; T203-L205 VanDerWaalsContact C-N 3.29Å; T203-L205 PolarHBondContact O-N 3.48Å; L205-Q208 WeakPolarHBondContact O-CB 3.26Å; L205-Q208 PolarHBondContact O-N 2.91Å; L205-L209 HydrophobicContact CD1-CD1 4.47Å; L205-L209 HydrophobicContact CG-CD1 4.17Å; L205-L209 WeakPolarHBondContact O-CD1 3.18Å; L205-L209 WeakPolarHBondContact O-CG 3.45Å; L205-L209 PolarHBondContact O-N 3.14Å; L205-L432 HydrophobicContact CD2-CB 4.48Å; L205-L432 HydrophobicContact CD2-CD2 3.76Å; L205-L432 HydrophobicContact CD2-CG 3.85Å; L205-I433 HydrophobicContact CD2-CG1 3.79Å; L205-I433 HydrophobicContact CG-CG1 4.28Å; L205-L436 HydrophobicContact CD2-CD1 4.05Å; L205-F592 HydrophobicContact CD1-CZ 4.4Å; L205-M595 HydrophobicContact CD2-CE 4.4Å
206	R	83.8	Confident	83.9	Confident	104 Å²	104	45.1 Å²	45.1	39%	0.392	22%	0.22	S	C	.	.	H	α-helix	trans	-61.9	-46.4	175.6	178.7	179.9	174.9	169.1	1.4	111.8	R202 T203 L209 I210	R202-R206 WeakPolarHBondContact O-CB 3.3Å; R202-R206 PolarHBondContact O-N 3.27Å; T203-R206 CarbonylContact O-C 3.39Å; T203-R206 WeakPolarHBondContact O-CA 3.04Å; T203-R206 WeakPolarHBondContact O-CB 3.29Å; T203-R206 PolarHBondContact O-N 3.29Å; R206-L209 WeakPolarHBondContact O-CB 3.49Å; R206-L209 PolarHBondContact O-N 2.85Å; R206-I210 HydrophobicContact CG-CD1 3.95Å; R206-I210 WeakPolarHBondContact O-CG1 3.36Å; R206-I210 PolarHBondContact O-N 3.33Å
207	D	83.9	Confident	82.8	Confident	94 Å²	94	42.4 Å²	42.4	50%	0.503	21%	0.208	S	C	.	.	H	α-helix	trans	-64	-42.5	179.6	-59.7	-26	0	0	0	110.4	T203 L209 I210 E211	T203-D207 WeakPolarHBondContact O-CB 3.37Å; T203-D207 PolarHBondContact O-N 2.7Å; D207-L209 VanDerWaalsContact C-N 3.3Å; D207-L209 PolarHBondContact O-N 2.89Å; D207-I210 PolarHBondContact O-N 3.1Å; D207-E211 PolarHBondContact O-N 2.83Å
208	Q	82	Confident	82.1	Confident	11 Å²	11	44.2 Å²	44.2	5%	0.051	22%	0.218	C	C	.	.	H	α-helix	trans	-57	-42.1	172.5	-169.8	-166.3	-76.6	0	0	112.2	A204 L205 S212 H588 I591	A204-Q208 WeakPolarHBondContact O-CB 3.29Å; A204-Q208 PolarHBondContact O-N 2.8Å; L205-Q208 WeakPolarHBondContact O-CB 3.26Å; L205-Q208 PolarHBondContact O-N 2.91Å; Q208-S212 WeakPolarHBondContact O-CB 3.39Å; Q208-S212 PolarHBondContact O-N 2.87Å; Q208-S212 PolarHBondContact O-OG 3.02Å; Q208-H588 WeakPolarHBondContact CG-CD2 3.35Å; Q208-H588 WeakPolarHBondContact CG-NE2 3.49Å; Q208-H588 PolarHBondContact OE1-CD2 3.49Å; Q208-I591 HydrophobicContact CB-CD1 4.17Å; Q208-I591 HydrophobicContact CG-CD1 4.3Å; Q208-I591 VanDerWaalsContact OE1-CD1 3.22Å
209	L	78.2	Confident	81.3	Confident	2 Å²	2	44.7 Å²	44.7	1%	0.01	22%	0.22	C	C	.	.	H	α-helix	trans	-68.2	-44.2	177.8	-67.4	164.1	0	0	0	110.5	L205 R206 D207 E211 S212 L213 F268 N429 I433 L522	L205-L209 HydrophobicContact CD1-CD1 4.47Å; L205-L209 HydrophobicContact CG-CD1 4.17Å; L205-L209 WeakPolarHBondContact O-CD1 3.18Å; L205-L209 WeakPolarHBondContact O-CG 3.45Å; L205-L209 PolarHBondContact O-N 3.14Å; R206-L209 WeakPolarHBondContact O-CB 3.49Å; R206-L209 PolarHBondContact O-N 2.85Å; D207-L209 VanDerWaalsContact C-N 3.3Å; D207-L209 PolarHBondContact O-N 2.89Å; L209-E211 PolarHBondContact O-N 2.92Å; L209-S212 CarbonylContact O-C 3.42Å; L209-S212 WeakPolarHBondContact O-CA 3.44Å; L209-S212 VanDerWaalsContact O-CB 3.25Å; L209-S212 WeakPolarHBondContact O-CB 3.49Å; L209-S212 PolarHBondContact O-N 3.33Å; L209-L213 WeakPolarHBondContact O-CG 3.13Å; L209-L213 PolarHBondContact O-N 2.96Å; L209-F268 HydrophobicContact CB-CE2 4.21Å; L209-F268 HydrophobicContact CB-CZ 4.42Å; L209-F268 HydrophobicContact CD1-CD1 4.12Å; L209-F268 HydrophobicContact CD1-CE1 3.78Å; L209-F268 HydrophobicContact CD1-CE2 4.32Å; L209-F268 HydrophobicContact CD1-CZ 3.88Å; L209-F268 HydrophobicContact CD2-CE1 4.36Å; L209-F268 HydrophobicContact CD2-CE2 4.34Å; L209-F268 HydrophobicContact CD2-CZ 3.79Å; L209-F268 HydrophobicContact CG-CZ 4.25Å; L209-N429 HydrophobicContact CD2-CB 4.24Å; L209-I433 HydrophobicContact CD1-CD1 3.56Å; L209-I433 HydrophobicContact CD1-CG1 4.38Å; L209-L522 HydrophobicContact CD2-CD2 3.31Å
210	I	77.6	Confident	80.4	Confident	64 Å²	64	43.4 Å²	43.4	33%	0.328	21%	0.211	S	C	.	.	H	α-helix	trans	-61.2	-44.4	176.4	-66.1	165.3	0	0	0	111.6	R206 D207 S212 L213 E214	R206-I210 HydrophobicContact CG-CD1 3.95Å; R206-I210 WeakPolarHBondContact O-CG1 3.36Å; R206-I210 PolarHBondContact O-N 3.33Å; D207-I210 PolarHBondContact O-N 3.1Å; I210-S212 PolarHBondContact O-N 3.38Å; I210-L213 PolarHBondContact O-N 3.41Å; I210-L213 VanDerWaalsContact O-N 3.13Å; I210-E214 PolarHBondContact O-N 3.11Å
211	E	81	Confident	79.5	Confident	92 Å²	92	41.8 Å²	41.8	43%	0.43	21%	0.207	S	C	.	.	H	α-helix	trans	-57.3	-38	172.2	-172.4	-170.7	-178.5	0	0	111.2	D207 L209 E214 L215 R584	D207-E211 PolarHBondContact O-N 2.83Å; L209-E211 PolarHBondContact O-N 2.92Å; E211-E214 PolarHBondContact O-N 3.39Å; E211-L215 PolarHBondContact O-N 2.93Å; E211-R584 WeakPolarHBondContact OE1-CD 3.23Å; E211-R584 IonicContact OE1-NE 2.7Å
212	S	77	Confident	78.7	Confident	1 Å²	1	45.8 Å²	45.8	1%	0.007	23%	0.225	C	C	.	.	H	α-helix	trans	-68.3	-34.8	177.5	-53.4	0	0	0	0	113.4	Q208 L209 I210 L216 R584	Q208-S212 WeakPolarHBondContact O-CB 3.39Å; Q208-S212 PolarHBondContact O-N 2.87Å; Q208-S212 PolarHBondContact O-OG 3.02Å; L209-S212 CarbonylContact O-C 3.42Å; L209-S212 WeakPolarHBondContact O-CA 3.44Å; L209-S212 VanDerWaalsContact O-CB 3.25Å; L209-S212 WeakPolarHBondContact O-CB 3.49Å; L209-S212 PolarHBondContact O-N 3.33Å; I210-S212 PolarHBondContact O-N 3.38Å; S212-L216 WeakPolarHBondContact O-CB 3.18Å; S212-L216 PolarHBondContact O-N 3.38Å; S212-R584 PolarHBondContact OG-NH2 3.02Å
213	L	72.9	Confident	77.8	Confident	17 Å²	17	43.5 Å²	43.5	9%	0.089	22%	0.218	C	C	.	.	H	α-helix	trans	-72.6	-40.7	174.7	-61.9	-174.9	0	0	0	112.2	L209 I210 L216 K217 L264 F426 L526	L209-L213 WeakPolarHBondContact O-CG 3.13Å; L209-L213 PolarHBondContact O-N 2.96Å; I210-L213 PolarHBondContact O-N 3.41Å; I210-L213 VanDerWaalsContact O-N 3.13Å; L213-L216 WeakPolarHBondContact O-CB 3.38Å; L213-L216 PolarHBondContact O-N 3.2Å; L213-K217 WeakPolarHBondContact O-CB 3.32Å; L213-K217 PolarHBondContact O-N 3.41Å; L213-L264 HydrophobicContact CD1-CB 3.65Å; L213-L264 HydrophobicContact CD2-CB 4.15Å; L213-L264 HydrophobicContact CD2-CD1 3.57Å; L213-L264 HydrophobicContact CD2-CG 4.33Å; L213-F426 HydrophobicContact CD2-CE1 4.46Å; L213-F426 HydrophobicContact CD2-CZ 4.5Å; L213-L526 HydrophobicContact CD2-CD1 4.28Å
214	E	75.2	Confident	76.9	Confident	58 Å²	58	41.1 Å²	41.1	27%	0.271	20%	0.202	S	C	.	.	H	α-helix	trans	-69.6	-33.6	177.3	-71.5	-75	148.6	0	0	111.6	I210 E211 K217 I218 R261	I210-E214 PolarHBondContact O-N 3.11Å; E211-E214 PolarHBondContact O-N 3.39Å; E214-K217 VanDerWaalsContact CD-NZ 3.28Å; E214-K217 WeakPolarHBondContact O-CB 3.07Å; E214-K217 PolarHBondContact O-N 2.76Å; E214-K217 IonicContact OE1-NZ 2.78Å; E214-K217 PolarHBondContact OE1-NZ 3.47Å; E214-K217 VanDerWaalsContact OE2-CD 3.32Å; E214-K217 WeakPolarHBondContact OE2-CD 3.45Å; E214-K217 VanDerWaalsContact OE2-CE 3.32Å; E214-K217 WeakPolarHBondContact OE2-CE 3.26Å; E214-K217 IonicContact OE2-NZ 2.71Å; E214-K217 PolarHBondContact OE2-NZ 3.29Å; E214-I218 WeakPolarHBondContact O-CG1 3.31Å; E214-I218 PolarHBondContact O-N 2.95Å; E214-I218 VanDerWaalsContact O-N 3.1Å; E214-R261 IonicContact OE1-CZ 2.92Å; E214-R261 IonicContact OE1-NH1 2.61Å; E214-R261 PolarHBondContact OE1-NH1 3.46Å
215	L	77.6	Confident	75.8	Confident	48 Å²	48	41 Å²	41	25%	0.251	20%	0.199	S	C	.	.	H	α-helix	trans	-68.6	-39.6	168.6	-171.4	67.7	0	0	0	112.4	E211 K217 I218 K219 R584	E211-L215 PolarHBondContact O-N 2.93Å; L215-K217 VanDerWaalsContact C-N 3.27Å; L215-K217 PolarHBondContact O-N 2.9Å; L215-I218 PolarHBondContact O-N 3.09Å; L215-K219 HydrophobicContact CG-CD 4.39Å; L215-K219 HydrophobicContact CG-CG 4.49Å; L215-K219 WeakPolarHBondContact O-CG 3.46Å; L215-K219 PolarHBondContact O-N 3.09Å; L215-R584 VanDerWaalsContact CD2-NH1 3.26Å
216	L	76.1	Confident	74.7	Confident	9 Å²	9	42.6 Å²	42.6	5%	0.047	21%	0.21	C	C	.	.	H	α-helix	trans	-56.5	-45.6	173.9	-177.3	74.8	0	0	0	110.6	S212 L213 I218 K219 L220 L526 F529 P530	S212-L216 WeakPolarHBondContact O-CB 3.18Å; S212-L216 PolarHBondContact O-N 3.38Å; L213-L216 WeakPolarHBondContact O-CB 3.38Å; L213-L216 PolarHBondContact O-N 3.2Å; L216-I218 PolarHBondContact O-N 3.17Å; L216-K219 PolarHBondContact O-N 3.33Å; L216-K219 VanDerWaalsContact O-N 3.15Å; L216-L220 HydrophobicContact CD1-CD1 4.45Å; L216-L220 HydrophobicContact CD1-CG 4.42Å; L216-L220 HydrophobicContact CD2-CD1 4.02Å; L216-L220 HydrophobicContact CG-CD1 3.81Å; L216-L220 HydrophobicContact CG-CG 4.19Å; L216-L220 WeakPolarHBondContact O-CB 3.44Å; L216-L220 WeakPolarHBondContact O-CG 3.15Å; L216-L220 PolarHBondContact O-N 2.97Å; L216-L526 HydrophobicContact CD1-CB 3.98Å; L216-L526 HydrophobicContact CD1-CD2 4.03Å; L216-L526 WeakPolarHBondContact CD1-O 3.46Å; L216-L526 HydrophobicContact CD2-CD2 3.95Å; L216-L526 HydrophobicContact CG-CD2 4.43Å; L216-F529 HydrophobicContact CD1-CB 4.16Å; L216-F529 HydrophobicContact CD1-CD1 3.73Å; L216-F529 HydrophobicContact CD1-CG 4.42Å; L216-F529 HydrophobicContact CD2-CD1 4.24Å; L216-F529 HydrophobicContact CG-CD1 4.49Å; L216-P530 HydrophobicContact CD1-CG 4.39Å
217	K	71.9	Confident	73	Confident	75 Å²	75	43.3 Å²	43.3	33%	0.326	22%	0.221	S	C	.	.	H	α-helix	trans	-56	-46.1	174.9	150.3	176.2	177	-164.4	0	112.8	L213 E214 L215 K219 N221 I257	L213-K217 WeakPolarHBondContact O-CB 3.32Å; L213-K217 PolarHBondContact O-N 3.41Å; E214-K217 VanDerWaalsContact CD-NZ 3.28Å; E214-K217 WeakPolarHBondContact O-CB 3.07Å; E214-K217 PolarHBondContact O-N 2.76Å; E214-K217 IonicContact OE1-NZ 2.78Å; E214-K217 PolarHBondContact OE1-NZ 3.47Å; E214-K217 VanDerWaalsContact OE2-CD 3.32Å; E214-K217 WeakPolarHBondContact OE2-CD 3.45Å; E214-K217 VanDerWaalsContact OE2-CE 3.32Å; E214-K217 WeakPolarHBondContact OE2-CE 3.26Å; E214-K217 IonicContact OE2-NZ 2.71Å; E214-K217 PolarHBondContact OE2-NZ 3.29Å; L215-K217 VanDerWaalsContact C-N 3.27Å; L215-K217 PolarHBondContact O-N 2.9Å; K217-K219 VanDerWaalsContact C-N 3.35Å; K217-N221 WeakPolarHBondContact O-CB 3.2Å; K217-N221 PolarHBondContact O-N 2.8Å; K217-N221 VanDerWaalsContact O-N 3.08Å; K217-I257 HydrophobicContact CB-CD1 4.02Å; K217-I257 HydrophobicContact CB-CG2 3.74Å; K217-I257 HydrophobicContact CD-CG2 3.65Å; K217-I257 HydrophobicContact CG-CD1 3.97Å; K217-I257 HydrophobicContact CG-CG2 3.69Å; K217-I257 WeakPolarHBondContact O-CD1 3.45Å
218	I	75.2	Confident	71.3	Confident	82 Å²	82	44.9 Å²	44.9	42%	0.421	23%	0.226	S	C	.	.	H	α-helix	trans	-61.7	-44.2	175.4	-67.8	164.7	0	0	0	110.6	E214 L215 L216 N221 Q222	E214-I218 WeakPolarHBondContact O-CG1 3.31Å; E214-I218 PolarHBondContact O-N 2.95Å; E214-I218 VanDerWaalsContact O-N 3.1Å; L215-I218 PolarHBondContact O-N 3.09Å; L216-I218 PolarHBondContact O-N 3.17Å; I218-N221 PolarHBondContact O-N 3.37Å; I218-Q222 WeakPolarHBondContact O-CB 3.39Å; I218-Q222 VanDerWaalsContact O-CG 3.3Å; I218-Q222 WeakPolarHBondContact O-CG 3.39Å; I218-Q222 PolarHBondContact O-N 3.45Å
219	K	74.4	Confident	69.6	Low	14 Å²	14	46.3 Å²	46.3	6%	0.061	23%	0.234	C	C	.	.	H	α-helix	trans	-66	-47	179.9	-73.9	-177.4	171.4	-173.5	0	112.9	L215 L216 K217 N221 Q222 T223 D527 P530 M576	L215-K219 HydrophobicContact CG-CD 4.39Å; L215-K219 HydrophobicContact CG-CG 4.49Å; L215-K219 WeakPolarHBondContact O-CG 3.46Å; L215-K219 PolarHBondContact O-N 3.09Å; L216-K219 PolarHBondContact O-N 3.33Å; L216-K219 VanDerWaalsContact O-N 3.15Å; K217-K219 VanDerWaalsContact C-N 3.35Å; K219-N221 VanDerWaalsContact C-N 3.33Å; K219-N221 PolarHBondContact O-N 2.84Å; K219-Q222 CarbonylContact O-C 3.56Å; K219-Q222 PolarHBondContact O-N 2.9Å; K219-Q222 VanDerWaalsContact O-N 3.17Å; K219-T223 WeakPolarHBondContact O-CG2 3.39Å; K219-T223 PolarHBondContact O-N 2.72Å; K219-T223 PolarHBondContact O-OG1 3.07Å; K219-D527 IonicContact NZ-OD1 2.71Å; K219-D527 PolarHBondContact NZ-OD1 2.95Å; K219-D527 IonicContact NZ-OD2 2.62Å; K219-D527 PolarHBondContact NZ-OD2 2.99Å; K219-P530 HydrophobicContact CB-CG 4.27Å; K219-M576 HydrophobicContact CG-SD 4.2Å
220	L	71.1	Confident	67.8	Low	2 Å²	2	52.3 Å²	52.3	1%	0.01	26%	0.264	C	S	.	.	H	α-helix	trans	-57.9	-46.1	176.1	-71.2	168.7	0	0	0	111	L216 Q222 T223 F224 I257 F260 F529 P530 L533	L216-L220 HydrophobicContact CD1-CD1 4.45Å; L216-L220 HydrophobicContact CD1-CG 4.42Å; L216-L220 HydrophobicContact CD2-CD1 4.02Å; L216-L220 HydrophobicContact CG-CD1 3.81Å; L216-L220 HydrophobicContact CG-CG 4.19Å; L216-L220 WeakPolarHBondContact O-CB 3.44Å; L216-L220 WeakPolarHBondContact O-CG 3.15Å; L216-L220 PolarHBondContact O-N 2.97Å; L220-Q222 VanDerWaalsContact C-N 3.34Å; L220-Q222 PolarHBondContact O-N 2.83Å; L220-T223 WeakPolarHBondContact CA-OG1 3.26Å; L220-T223 PolarHBondContact O-N 3.31Å; L220-T223 PolarHBondContact O-OG1 3.38Å; L220-F224 HydrophobicContact CD2-CE2 3.9Å; L220-F224 VanDerWaalsContact O-CD2 3.27Å; L220-F224 WeakPolarHBondContact O-CD2 3.1Å; L220-F224 PolarHBondContact O-N 2.89Å; L220-F224 VanDerWaalsContact O-N 3.09Å; L220-I257 HydrophobicContact CB-CD1 4.17Å; L220-I257 HydrophobicContact CD1-CG1 4.24Å; L220-F260 HydrophobicContact CD1-CD2 4.06Å; L220-F260 HydrophobicContact CD1-CE2 4.04Å; L220-F529 HydrophobicContact CD2-CD1 4.42Å; L220-F529 HydrophobicContact CD2-CE1 4.44Å; L220-P530 HydrophobicContact CD2-CB 4.12Å; L220-P530 HydrophobicContact CD2-CG 3.95Å; L220-P530 HydrophobicContact CG-CG 4.38Å; L220-L533 HydrophobicContact CD2-CD1 3.97Å
221	N	72.7	Confident	65.8	Low	59 Å²	59	54.2 Å²	54.2	32%	0.316	27%	0.274	S	S	.	.	H	α-helix	trans	-59.7	-43.8	175.5	-173.2	36.9	0	0	0	112	K217 I218 K219 C225 I253	K217-N221 WeakPolarHBondContact O-CB 3.2Å; K217-N221 PolarHBondContact O-N 2.8Å; K217-N221 VanDerWaalsContact O-N 3.08Å; I218-N221 PolarHBondContact O-N 3.37Å; K219-N221 VanDerWaalsContact C-N 3.33Å; K219-N221 PolarHBondContact O-N 2.84Å; N221-C225 WeakPolarHBondContact O-CA 3.11Å; N221-C225 WeakPolarHBondContact O-CB 3.33Å; N221-C225 PolarHBondContact O-N 3.27Å; N221-I253 HydrophobicContact CB-CG2 4.09Å
222	Q	72.2	Confident	63.6	Low	85 Å²	85	55.8 Å²	55.8	40%	0.397	28%	0.284	S	S	.	.	H	α-helix	trans	-66.6	-39	176.3	-74.1	172.6	-15.5	0	0	113	I218 K219 L220 S226 M576	I218-Q222 WeakPolarHBondContact O-CB 3.39Å; I218-Q222 VanDerWaalsContact O-CG 3.3Å; I218-Q222 WeakPolarHBondContact O-CG 3.39Å; I218-Q222 PolarHBondContact O-N 3.45Å; K219-Q222 CarbonylContact O-C 3.56Å; K219-Q222 PolarHBondContact O-N 2.9Å; K219-Q222 VanDerWaalsContact O-N 3.17Å; L220-Q222 VanDerWaalsContact C-N 3.34Å; L220-Q222 PolarHBondContact O-N 2.83Å; Q222-S226 WeakPolarHBondContact O-CB 3.46Å; Q222-S226 PolarHBondContact O-N 3.22Å; Q222-S226 PolarHBondContact O-OG 3.4Å; Q222-M576 HydrophobicContact CB-CE 3.46Å; Q222-M576 VanDerWaalsContact CB-CE 3.46Å; Q222-M576 HydrophobicContact CG-CE 4.39Å
223	T	70.5	Confident	61.5	Low	5 Å²	5	64.6 Å²	64.6	3%	0.031	32%	0.322	C	S	.	.	H	α-helix	trans	-72.5	-36.2	-177.4	49.9	0	0	0	0	113.1	K219 L220 P530 L565 I572 F573 M576	K219-T223 WeakPolarHBondContact O-CG2 3.39Å; K219-T223 PolarHBondContact O-N 2.72Å; K219-T223 PolarHBondContact O-OG1 3.07Å; L220-T223 WeakPolarHBondContact CA-OG1 3.26Å; L220-T223 PolarHBondContact O-N 3.31Å; L220-T223 PolarHBondContact O-OG1 3.38Å; T223-P530 HydrophobicContact CG2-CB 3.9Å; T223-L565 WeakPolarHBondContact O-CD2 3.37Å; T223-I572 HydrophobicContact CG2-CG2 4.43Å; T223-F573 HydrophobicContact CG2-CD1 4.42Å; T223-F573 HydrophobicContact CG2-CE1 3.35Å; T223-F573 HydrophobicContact CG2-CZ 3.46Å; T223-F573 VanDerWaalsContact CG2-CZ 3.46Å; T223-M576 HydrophobicContact CG2-CE 4.18Å
224	F	67.8	Low	59.7	Low	13 Å²	13	69.5 Å²	69.5	6%	0.057	35%	0.353	C	S	.	.	H	α-helix	trans	-94.9	-34.9	-176.7	-69.8	-66.7	0	0	0	113.3	L220 C249 I253 L533 V534 F562 L565	L220-F224 HydrophobicContact CD2-CE2 3.9Å; L220-F224 VanDerWaalsContact O-CD2 3.27Å; L220-F224 WeakPolarHBondContact O-CD2 3.1Å; L220-F224 PolarHBondContact O-N 2.89Å; L220-F224 VanDerWaalsContact O-N 3.09Å; F224-C249 VanDerWaalsContact C-SG 3.57Å; F224-C249 PolarHBondContact O-SG 3.01Å; F224-C249 VanDerWaalsContact O-SG 3.37Å; F224-I253 HydrophobicContact CB-CD1 3.37Å; F224-I253 HydrophobicContact CB-CG1 4.22Å; F224-I253 HydrophobicContact CD2-CD1 4.36Å; F224-I253 HydrophobicContact CG-CD1 4.31Å; F224-L533 HydrophobicContact CE2-CD1 4.24Å; F224-L533 HydrophobicContact CZ-CD1 4.17Å; F224-L533 HydrophobicContact CZ-CD2 4.17Å; F224-V534 HydrophobicContact CE1-CG2 4.11Å; F224-V534 HydrophobicContact CZ-CG2 4.39Å; F224-F562 AromaticContact CE1-CE1 3.91Å; F224-F562 HydrophobicContact CE1-CE1 3.91Å; F224-F562 HydrophobicContact CE1-CZ 4.14Å; F224-L565 HydrophobicContact CD1-CD1 4.05Å; F224-L565 HydrophobicContact CE1-CD1 4.4Å
225	C	66.4	Low	57.7	Low	27 Å²	27	74 Å²	74	18%	0.182	38%	0.379	C	S	.	.	S	Bend	trans	-109.6	29.8	178.7	-55.5	0	0	0	0	114.5	N221 N227 C249 I253	N221-C225 WeakPolarHBondContact O-CA 3.11Å; N221-C225 WeakPolarHBondContact O-CB 3.33Å; N221-C225 PolarHBondContact O-N 3.27Å; C225-N227 PolarHBondContact O-N 3.29Å; C225-C249 WeakPolarHBondContact CA-SG 3.1Å; C225-C249 HydrophobicContact CB-CB 4.18Å; C225-C249 WeakPolarHBondContact CB-SG 3.36Å; C225-C249 WeakPolarHBondContact SG-CB 3.32Å; C225-C249 CovalentContact SG-SG 2.03Å; C225-C249 PolarHBondContact SG-SG 2.62Å; C225-I253 HydrophobicContact CB-CD1 4.24Å; C225-I253 WeakPolarHBondContact SG-CD1 3.41Å
226	S	61.1	Low	55.9	Low	33 Å²	33	78.4 Å²	78.4	23%	0.231	40%	0.403	C	S	.	.			trans	-61.6	120.4	169.7	-88.2	0	0	0	0	110.8	Q222 E228 L229	Q222-S226 WeakPolarHBondContact O-CB 3.46Å; Q222-S226 PolarHBondContact O-N 3.22Å; Q222-S226 PolarHBondContact O-OG 3.4Å; S226-E228 PolarHBondContact O-N 2.88Å; S226-L229 PolarHBondContact O-N 2.97Å
227	N	49.3	Very low	53.8	Low	118 Å²	118	86 Å²	86	63%	0.631	44%	0.444	S	S	*	.	T	Hydrogen-bonded Turn	trans	-50	-26.8	-177.6	-73.7	-8.2	0	0	0	114.3	C225 L229 I230 I231	C225-N227 PolarHBondContact O-N 3.29Å; N227-L229 VanDerWaalsContact C-N 3.29Å; N227-L229 PolarHBondContact O-N 3.4Å; N227-I230 PolarHBondContact O-N 2.75Å; N227-I230 VanDerWaalsContact O-N 3.11Å; N227-I231 HydrophobicContact CB-CD1 4.42Å; N227-I231 WeakPolarHBondContact O-CG1 3.27Å; N227-I231 PolarHBondContact O-N 2.75Å
228	E	46.6	Very low	52	Low	127 Å²	127	87.6 Å²	87.6	59%	0.593	46%	0.46	S	S	*	.	H	α-helix	trans	-59.8	-32.4	177.7	-67.5	-164.7	161.3	0	0	113.6	S226 I230 I231 I232	S226-E228 PolarHBondContact O-N 2.88Å; E228-I230 PolarHBondContact O-N 2.91Å; E228-I231 PolarHBondContact O-N 2.87Å; E228-I232 HydrophobicContact CB-CD1 3.86Å; E228-I232 HydrophobicContact CG-CD1 4.49Å; E228-I232 WeakPolarHBondContact O-CD1 3.25Å; E228-I232 VanDerWaalsContact O-CG1 3.26Å; E228-I232 WeakPolarHBondContact O-CG1 3.48Å; E228-I232 PolarHBondContact O-N 2.72Å
229	L	46.9	Very low	49.8	Very low	42 Å²	42	89.8 Å²	89.8	22%	0.22	48%	0.48	C	S	.	.	H	α-helix	trans	-67.3	-22.2	176.3	-89.2	89.8	0	0	0	113.4	S226 N227 V561 L565	S226-L229 PolarHBondContact O-N 2.97Å; N227-L229 VanDerWaalsContact C-N 3.29Å; N227-L229 PolarHBondContact O-N 3.4Å; L229-V561 HydrophobicContact CD2-CG1 4.32Å; L229-L565 HydrophobicContact CD1-CD2 4.02Å; L229-L565 HydrophobicContact CD2-CD2 3.6Å; L229-L565 HydrophobicContact CD2-CG 3.87Å; L229-L565 HydrophobicContact CG-CD2 4.49Å
230	I	40.5	Very low	47.8	Very low	127 Å²	127	96.4 Å²	96.4	65%	0.651	51%	0.514	S	S	*	.	H	α-helix	trans	-90.7	-21.3	-177	-60.7	177.8	0	0	0	111.4	N227 E228	N227-I230 PolarHBondContact O-N 2.75Å; N227-I230 VanDerWaalsContact O-N 3.11Å; E228-I230 PolarHBondContact O-N 2.91Å
231	I	35.8	Very low	45.8	Very low	105 Å²	105	103.6 Å²	103.6	54%	0.538	55%	0.553	S	S	.	*	H	α-helix	trans	-102.6	-25.5	-167.4	-64.9	171.7	0	0	0	113.3	N227 E228 K233	N227-I231 HydrophobicContact CB-CD1 4.42Å; N227-I231 WeakPolarHBondContact O-CG1 3.27Å; N227-I231 PolarHBondContact O-N 2.75Å; E228-I231 PolarHBondContact O-N 2.87Å; I231-K233 PolarHBondContact O-N 2.94Å
232	I	35.3	Very low	43.8	Very low	124 Å²	124	106.5 Å²	106.5	64%	0.636	57%	0.569	S	S	*	*	T	Hydrogen-bonded Turn	trans	-83.5	42.5	-164.4	-61.5	170.4	0	0	0	113.7	E228	E228-I232 HydrophobicContact CB-CD1 3.86Å; E228-I232 HydrophobicContact CG-CD1 4.49Å; E228-I232 WeakPolarHBondContact O-CD1 3.25Å; E228-I232 VanDerWaalsContact O-CG1 3.26Å; E228-I232 WeakPolarHBondContact O-CG1 3.48Å; E228-I232 PolarHBondContact O-N 2.72Å
233	K	32.9	Very low	42.1	Very low	186 Å²	186	105.3 Å²	105.3	81%	0.809	57%	0.57	S	S	*	*	T	Hydrogen-bonded Turn	trans	-139.1	11	171.8	-103	-170.8	178.7	-176.8	0	117.6	I231	I231-K233 PolarHBondContact O-N 2.94Å
234	T	33.5	Very low	40.3	Very low	120 Å²	120	112.9 Å²	112.9	74%	0.736	61%	0.61	S	S	*	*	S	Bend	trans	-78.9	-13.2	175	47.1	0	0	0	0	114.9	N236	T234-N236 PolarHBondContact O-N 2.93Å
235	N	34.5	Very low	39.1	Very low	152 Å²	152	116.2 Å²	116.2	81%	0.813	63%	0.628	S	S	*	*	S	Bend	trans	-98	67.2	178.8	-79.7	-16.4	0	0	0	112.8
236	N	38.5	Very low	37.9	Very low	142 Å²	142	120.1 Å²	120.1	76%	0.759	65%	0.651	S	S	*	*	S	Bend	trans	-162.7	140.6	152	-99.7	-40.8	0	0	0	110	T234 T238	T234-N236 PolarHBondContact O-N 2.93Å; N236-T238 PolarHBondContact O-N 2.85Å
237	N	32	Very low	37.4	Very low	169 Å²	169	122.8 Å²	122.8	90%	0.904	66%	0.656	S	S	*	*	S	Bend	trans	-79.7	73.2	-162.8	-67.7	-22.7	0	0	0	114.6
238	T	34.5	Very low	37.8	Very low	108 Å²	108	121.6 Å²	121.6	66%	0.663	65%	0.649	S	S	*	*			trans	-142.6	112.4	165.6	49.5	0	0	0	0	111.1	N236 L240	N236-T238 PolarHBondContact O-N 2.85Å; T238-L240 PolarHBondContact O-N 3.12Å
239	P	29.6	Very low	38.6	Very low	128 Å²	128	116.1 Å²	116.1	83%	0.831	63%	0.625	S	S	*	*			trans	-79.4	84	177.3	32.6	-34	0	0	0	110.9	N241	P239-N241 PolarHBondContact O-N 3.37Å; P239-N241 VanDerWaalsContact O-N 3.16Å
240	L	32.4	Very low	39.5	Very low	152 Å²	152	122.6 Å²	122.6	80%	0.796	65%	0.647	S	S	*	*			trans	-79.1	89.7	166.2	-96.8	157.7	0	0	0	109.3	T238 D242	T238-L240 PolarHBondContact O-N 3.12Å; L240-D242 PolarHBondContact O-N 3.21Å; L240-D242 VanDerWaalsContact O-N 3.12Å
241	N	29.4	Very low	40.7	Very low	153 Å²	153	123 Å²	123	82%	0.818	64%	0.641	S	S	*	*			trans	-63.3	101.8	155.1	-86.7	-3.8	0	0	0	107.9	P239	P239-N241 PolarHBondContact O-N 3.37Å; P239-N241 VanDerWaalsContact O-N 3.16Å
242	D	31.1	Very low	42	Very low	121 Å²	121	118.7 Å²	118.7	65%	0.647	62%	0.618	S	S	*	*			trans	-166.4	130.2	147.8	-108.3	-29.3	0	0	0	112.8	L240	L240-D242 PolarHBondContact O-N 3.21Å; L240-D242 VanDerWaalsContact O-N 3.12Å
243	S	35.8	Very low	43.5	Very low	60 Å²	60	112.9 Å²	112.9	42%	0.42	59%	0.589	S	S	.	*			trans	56.8	117.2	169	65.3	0	0	0	0	118.9	I245	S243-I245 VanDerWaalsContact C-N 3.31Å; S243-I245 PolarHBondContact O-N 2.86Å
244	N	33.2	Very low	45.2	Very low	164 Å²	164	107.3 Å²	107.3	88%	0.877	57%	0.567	S	S	*	*			trans	-69.9	83.6	162.1	-76.6	-38.1	0	0	0	110.3	T246	N244-T246 PolarHBondContact O-N 3.05Å
245	I	41.1	Very low	46.9	Very low	83 Å²	83	103 Å²	103	43%	0.426	54%	0.538	S	S	.	.			trans	-77.9	79.9	171	-54.3	-177.2	0	0	0	109.1	S243 W247	S243-I245 VanDerWaalsContact C-N 3.31Å; S243-I245 PolarHBondContact O-N 2.86Å; I245-W247 VanDerWaalsContact C-N 3.3Å; I245-W247 PolarHBondContact O-N 3Å
246	T	42.8	Very low	48.6	Very low	108 Å²	108	95.8 Å²	95.8	66%	0.663	50%	0.5	S	S	*	.			trans	-69.3	91.1	160.2	51.4	0	0	0	0	108.3	N244 N248	N244-T246 PolarHBondContact O-N 3.05Å; T246-N248 PolarHBondContact O-N 3.47Å
247	W	49.5	Very low	50	Low	89 Å²	89	89.9 Å²	89.9	34%	0.337	47%	0.468	S	S	.	.			trans	-53.9	115.2	162.8	-102.9	32.1	0	0	0	107.9	I245 C249 T293 V561	I245-W247 VanDerWaalsContact C-N 3.3Å; I245-W247 PolarHBondContact O-N 3Å; W247-C249 PolarHBondContact O-N 3.21Å; W247-T293 HydrophobicContact CZ2-CG2 3.51Å; W247-V561 HydrophobicContact CH2-CB 4.23Å; W247-V561 HydrophobicContact CH2-CG1 3.81Å; W247-V561 HydrophobicContact CH2-CG2 4.08Å; W247-V561 HydrophobicContact CZ2-CG2 4.22Å; W247-V561 HydrophobicContact CZ3-CG1 4.08Å
248	N	57.7	Low	51.9	Low	93 Å²	93	85 Å²	85	50%	0.497	45%	0.447	S	S	.	.			trans	-75.5	47.9	172.5	-83.2	-24.6	0	0	0	110.5	T246 W250 Y251 H252	T246-N248 PolarHBondContact O-N 3.47Å; N248-W250 PolarHBondContact O-N 3.13Å; N248-W250 VanDerWaalsContact O-N 3.08Å; N248-Y251 WeakPolarHBondContact O-CA 3.42Å; N248-Y251 WeakPolarHBondContact O-CB 3.46Å; N248-Y251 PolarHBondContact O-N 3.17Å; N248-H252 PolarHBondContact O-CD2 3.03Å; N248-H252 VanDerWaalsContact O-CD2 3.27Å; N248-H252 PolarHBondContact O-N 2.98Å
249	C	64.4	Low	53.6	Low	12 Å²	12	82.3 Å²	82.3	8%	0.081	43%	0.426	C	S	.	.	H	α-helix	trans	-47.9	-41.2	178.8	179.5	0	0	0	0	111	F224 C225 W247 Y251 I253	F224-C249 VanDerWaalsContact C-SG 3.57Å; F224-C249 PolarHBondContact O-SG 3.01Å; F224-C249 VanDerWaalsContact O-SG 3.37Å; C225-C249 WeakPolarHBondContact CA-SG 3.1Å; C225-C249 HydrophobicContact CB-CB 4.18Å; C225-C249 WeakPolarHBondContact CB-SG 3.36Å; C225-C249 WeakPolarHBondContact SG-CB 3.32Å; C225-C249 CovalentContact SG-SG 2.03Å; C225-C249 PolarHBondContact SG-SG 2.62Å; W247-C249 PolarHBondContact O-N 3.21Å; C249-Y251 PolarHBondContact O-N 3.11Å; C249-I253 VanDerWaalsContact O-CB 3.25Å; C249-I253 WeakPolarHBondContact O-CB 3.47Å; C249-I253 VanDerWaalsContact O-CG1 3.24Å; C249-I253 WeakPolarHBondContact O-CG1 3.44Å; C249-I253 PolarHBondContact O-N 3.42Å
250	W	64.9	Low	55.5	Low	179 Å²	179	76.5 Å²	76.5	68%	0.678	39%	0.388	S	S	*	.	H	α-helix	trans	-59.8	-38.1	175.6	-166.6	75.9	0	0	0	113.8	N248 I254	N248-W250 PolarHBondContact O-N 3.13Å; N248-W250 VanDerWaalsContact O-N 3.08Å; W250-I254 HydrophobicContact CD2-CD1 3.59Å; W250-I254 VanDerWaalsContact CE2-CD1 3.42Å; W250-I254 HydrophobicContact CE3-CD1 3.74Å; W250-I254 HydrophobicContact CG-CD1 4.31Å; W250-I254 HydrophobicContact CH2-CD1 3.61Å; W250-I254 HydrophobicContact CZ2-CD1 3.45Å; W250-I254 VanDerWaalsContact CZ2-CD1 3.45Å; W250-I254 HydrophobicContact CZ3-CD1 3.75Å; W250-I254 WeakPolarHBondContact O-CB 3.39Å; W250-I254 VanDerWaalsContact O-CG1 3.25Å; W250-I254 WeakPolarHBondContact O-CG1 3.48Å; W250-I254 PolarHBondContact O-N 3.26Å
251	Y	66.7	Low	57.2	Low	134 Å²	134	74.2 Å²	74.2	53%	0.525	37%	0.369	S	S	.	.	H	α-helix	trans	-70.4	-54.1	179.1	-176.4	-97.5	0	0	0	111.5	N248 C249 I253 I254 E255	N248-Y251 WeakPolarHBondContact O-CA 3.42Å; N248-Y251 WeakPolarHBondContact O-CB 3.46Å; N248-Y251 PolarHBondContact O-N 3.17Å; C249-Y251 PolarHBondContact O-N 3.11Å; Y251-I253 VanDerWaalsContact C-N 3.29Å; Y251-I253 PolarHBondContact O-N 3.49Å; Y251-I254 PolarHBondContact O-N 3.1Å; Y251-E255 PolarHBondContact O-N 3.02Å
252	H	63	Low	59.2	Low	15 Å²	15	71.1 Å²	71.1	7%	0.069	35%	0.352	C	S	.	.	H	α-helix	trans	-67.7	-29.7	-179.2	-57.1	-70.1	0	0	0	112.5	N248 E255 L256 Y285 E292	N248-H252 PolarHBondContact O-CD2 3.03Å; N248-H252 VanDerWaalsContact O-CD2 3.27Å; N248-H252 PolarHBondContact O-N 2.98Å; H252-E255 PolarHBondContact O-N 2.92Å; H252-L256 WeakPolarHBondContact O-CB 3.4Å; H252-L256 PolarHBondContact O-N 2.81Å; H252-Y285 HydrophobicContact CB-CD2 3.87Å; H252-Y285 HydrophobicContact CB-CE2 3.65Å; H252-Y285 WeakPolarHBondContact O-CD2 3.4Å; H252-E292 IonicContact CD2-OE2 2.84Å; H252-E292 IonicContact CE1-OE1 2.69Å; H252-E292 PolarHBondContact CE1-OE1 3.29Å; H252-E292 IonicContact CE1-OE2 3.69Å; H252-E292 VanDerWaalsContact NE2-CD 3.29Å; H252-E292 IonicContact NE2-OE1 3.17Å; H252-E292 PolarHBondContact NE2-OE1 3.44Å; H252-E292 IonicContact NE2-OE2 3.94Å; H252-E292 PolarHBondContact NE2-OE2 2.81Å
253	I	66.8	Low	60.8	Low	2 Å²	2	66.9 Å²	66.9	1%	0.01	33%	0.329	C	S	.	.	H	α-helix	trans	-67.3	-44	168.8	-73.6	-172.8	0	0	0	111.4	N221 F224 C225 C249 Y251 E255 L256 I257 Y285	N221-I253 HydrophobicContact CB-CG2 4.09Å; F224-I253 HydrophobicContact CB-CD1 3.37Å; F224-I253 HydrophobicContact CB-CG1 4.22Å; F224-I253 HydrophobicContact CD2-CD1 4.36Å; F224-I253 HydrophobicContact CG-CD1 4.31Å; C225-I253 HydrophobicContact CB-CD1 4.24Å; C225-I253 WeakPolarHBondContact SG-CD1 3.41Å; C249-I253 VanDerWaalsContact O-CB 3.25Å; C249-I253 WeakPolarHBondContact O-CB 3.47Å; C249-I253 VanDerWaalsContact O-CG1 3.24Å; C249-I253 WeakPolarHBondContact O-CG1 3.44Å; C249-I253 PolarHBondContact O-N 3.42Å; Y251-I253 VanDerWaalsContact C-N 3.29Å; Y251-I253 PolarHBondContact O-N 3.49Å; I253-E255 VanDerWaalsContact C-N 3.26Å; I253-E255 PolarHBondContact O-N 3.15Å; I253-L256 PolarHBondContact O-N 3.29Å; I253-I257 HydrophobicContact CG2-CD1 3.32Å; I253-I257 HydrophobicContact CG2-CG1 4.01Å; I253-I257 WeakPolarHBondContact O-CB 3.39Å; I253-I257 VanDerWaalsContact O-CG1 3.23Å; I253-I257 WeakPolarHBondContact O-CG1 3.32Å; I253-I257 PolarHBondContact O-N 3.11Å; I253-Y285 HydrophobicContact CG1-CE2 4.36Å
254	I	68.7	Low	62.2	Low	69 Å²	69	64.2 Å²	64.2	35%	0.354	31%	0.31	S	S	.	.	H	α-helix	trans	-61.2	-39	175.6	-79.2	172.5	0	0	0	110.6	W250 Y251 S258	W250-I254 HydrophobicContact CD2-CD1 3.59Å; W250-I254 VanDerWaalsContact CE2-CD1 3.42Å; W250-I254 HydrophobicContact CE3-CD1 3.74Å; W250-I254 HydrophobicContact CG-CD1 4.31Å; W250-I254 HydrophobicContact CH2-CD1 3.61Å; W250-I254 HydrophobicContact CZ2-CD1 3.45Å; W250-I254 VanDerWaalsContact CZ2-CD1 3.45Å; W250-I254 HydrophobicContact CZ3-CD1 3.75Å; W250-I254 WeakPolarHBondContact O-CB 3.39Å; W250-I254 VanDerWaalsContact O-CG1 3.25Å; W250-I254 WeakPolarHBondContact O-CG1 3.48Å; W250-I254 PolarHBondContact O-N 3.26Å; Y251-I254 PolarHBondContact O-N 3.1Å; I254-S258 WeakPolarHBondContact O-CB 3.33Å; I254-S258 PolarHBondContact O-N 2.96Å; I254-S258 PolarHBondContact O-OG 3.2Å
255	E	69	Low	63.8	Low	30 Å²	30	59.4 Å²	59.4	14%	0.14	28%	0.282	C	S	.	.	H	α-helix	trans	-66.4	-50.4	175.9	-160.8	-172	156.8	0	0	111.9	Y251 H252 I253 I257 S258 K259 Q288	Y251-E255 PolarHBondContact O-N 3.02Å; H252-E255 PolarHBondContact O-N 2.92Å; I253-E255 VanDerWaalsContact C-N 3.26Å; I253-E255 PolarHBondContact O-N 3.15Å; E255-I257 VanDerWaalsContact C-N 3.34Å; E255-I257 PolarHBondContact O-N 3.09Å; E255-S258 PolarHBondContact O-N 2.83Å; E255-K259 HydrophobicContact CG-CD 4.27Å; E255-K259 WeakPolarHBondContact O-CB 3.31Å; E255-K259 WeakPolarHBondContact O-CG 3.44Å; E255-K259 PolarHBondContact O-N 2.59Å; E255-K259 WeakPolarHBondContact OE1-CE 3.19Å; E255-K259 IonicContact OE1-NZ 3.73Å; E255-K259 PolarHBondContact OE1-NZ 3.36Å; E255-Q288 PolarHBondContact OE1-NE2 3.4Å; E255-Q288 PolarHBondContact OE1-OE1 3.37Å; E255-Q288 PolarHBondContact OE2-NE2 2.03Å
256	L	68.9	Low	65	Low	1 Å²	1	57.7 Å²	57.7	1%	0.005	27%	0.272	C	S	.	.	H	α-helix	trans	-56.3	-45.7	175.1	173.5	62.9	0	0	0	111.9	H252 I253 K259 F260 P281 Y285	H252-L256 WeakPolarHBondContact O-CB 3.4Å; H252-L256 PolarHBondContact O-N 2.81Å; I253-L256 PolarHBondContact O-N 3.29Å; L256-K259 PolarHBondContact O-N 3.12Å; L256-F260 HydrophobicContact CD1-CD2 3.73Å; L256-F260 HydrophobicContact CD1-CE2 3.41Å; L256-F260 VanDerWaalsContact CD1-CE2 3.41Å; L256-F260 HydrophobicContact CD1-CZ 4.06Å; L256-F260 HydrophobicContact CD2-CE2 4.14Å; L256-F260 HydrophobicContact CG-CD2 3.78Å; L256-F260 HydrophobicContact CG-CE2 3.68Å; L256-F260 WeakPolarHBondContact O-CB 3.02Å; L256-F260 WeakPolarHBondContact O-CD2 3.49Å; L256-F260 PolarHBondContact O-N 2.6Å; L256-P281 HydrophobicContact CD1-CB 3.96Å; L256-P281 VanDerWaalsContact CD1-O 3.31Å; L256-P281 WeakPolarHBondContact CD1-O 3.48Å; L256-Y285 HydrophobicContact CB-CD2 3.76Å; L256-Y285 HydrophobicContact CB-CE2 4.45Å; L256-Y285 HydrophobicContact CB-CG 4.24Å; L256-Y285 HydrophobicContact CD1-CG 4.34Å; L256-Y285 HydrophobicContact CD2-CD1 4.18Å; L256-Y285 HydrophobicContact CD2-CD2 3.81Å; L256-Y285 HydrophobicContact CD2-CE1 4.45Å; L256-Y285 HydrophobicContact CD2-CE2 4.1Å; L256-Y285 HydrophobicContact CD2-CG 3.83Å; L256-Y285 HydrophobicContact CG-CD2 4.28Å; L256-Y285 HydrophobicContact CG-CG 4.35Å
257	I	69.1	Low	66	Low	17 Å²	17	52.8 Å²	52.8	9%	0.087	24%	0.242	C	C	.	.	H	α-helix	trans	-71.4	-34	180	-72.5	177.7	0	0	0	111.3	K217 L220 I253 E255 R261	K217-I257 HydrophobicContact CB-CD1 4.02Å; K217-I257 HydrophobicContact CB-CG2 3.74Å; K217-I257 HydrophobicContact CD-CG2 3.65Å; K217-I257 HydrophobicContact CG-CD1 3.97Å; K217-I257 HydrophobicContact CG-CG2 3.69Å; K217-I257 WeakPolarHBondContact O-CD1 3.45Å; L220-I257 HydrophobicContact CB-CD1 4.17Å; L220-I257 HydrophobicContact CD1-CG1 4.24Å; I253-I257 HydrophobicContact CG2-CD1 3.32Å; I253-I257 HydrophobicContact CG2-CG1 4.01Å; I253-I257 WeakPolarHBondContact O-CB 3.39Å; I253-I257 VanDerWaalsContact O-CG1 3.23Å; I253-I257 WeakPolarHBondContact O-CG1 3.32Å; I253-I257 PolarHBondContact O-N 3.11Å; E255-I257 VanDerWaalsContact C-N 3.34Å; E255-I257 PolarHBondContact O-N 3.09Å; I257-R261 WeakPolarHBondContact O-CB 3.42Å; I257-R261 PolarHBondContact O-N 3.33Å
258	S	72	Confident	66.6	Low	67 Å²	67	49.7 Å²	49.7	47%	0.469	23%	0.231	S	C	.	.	H	α-helix	trans	-69.6	-42.3	174.2	-59.7	0	0	0	0	110.9	I254 E255 R261 L262	I254-S258 WeakPolarHBondContact O-CB 3.33Å; I254-S258 PolarHBondContact O-N 2.96Å; I254-S258 PolarHBondContact O-OG 3.2Å; E255-S258 PolarHBondContact O-N 2.83Å; S258-R261 PolarHBondContact O-N 3.48Å; S258-L262 VanDerWaalsContact O-CB 3.22Å; S258-L262 WeakPolarHBondContact O-CB 3.42Å; S258-L262 PolarHBondContact O-N 2.99Å
259	K	70.6	Confident	66.6	Low	51 Å²	51	49.2 Å²	49.2	22%	0.222	23%	0.228	C	C	.	.	H	α-helix	trans	-60.4	-48.3	171.9	-73.9	167.7	170.8	170.4	0	111.4	E255 L256 L262 I263 P281	E255-K259 HydrophobicContact CG-CD 4.27Å; E255-K259 WeakPolarHBondContact O-CB 3.31Å; E255-K259 WeakPolarHBondContact O-CG 3.44Å; E255-K259 PolarHBondContact O-N 2.59Å; E255-K259 WeakPolarHBondContact OE1-CE 3.19Å; E255-K259 IonicContact OE1-NZ 3.73Å; E255-K259 PolarHBondContact OE1-NZ 3.36Å; L256-K259 PolarHBondContact O-N 3.12Å; K259-L262 PolarHBondContact O-N 3.43Å; K259-I263 WeakPolarHBondContact O-CB 3.45Å; K259-I263 WeakPolarHBondContact O-CG1 3.45Å; K259-I263 PolarHBondContact O-N 3.44Å; K259-P281 HydrophobicContact CB-CB 3.94Å; K259-P281 HydrophobicContact CB-CG 4.34Å
260	F	67.8	Low	66.2	Low	6 Å²	6	51.4 Å²	51.4	3%	0.026	24%	0.238	C	C	.	.	H	α-helix	trans	-60.1	-49.5	173.9	-86.2	-49.4	0	0	0	112.1	L220 L256 L262 I263 L264 L278 P281 V282 F529	L220-F260 HydrophobicContact CD1-CD2 4.06Å; L220-F260 HydrophobicContact CD1-CE2 4.04Å; L256-F260 HydrophobicContact CD1-CD2 3.73Å; L256-F260 HydrophobicContact CD1-CE2 3.41Å; L256-F260 VanDerWaalsContact CD1-CE2 3.41Å; L256-F260 HydrophobicContact CD1-CZ 4.06Å; L256-F260 HydrophobicContact CD2-CE2 4.14Å; L256-F260 HydrophobicContact CG-CD2 3.78Å; L256-F260 HydrophobicContact CG-CE2 3.68Å; L256-F260 WeakPolarHBondContact O-CB 3.02Å; L256-F260 WeakPolarHBondContact O-CD2 3.49Å; L256-F260 PolarHBondContact O-N 2.6Å; F260-L262 VanDerWaalsContact C-N 3.31Å; F260-L262 PolarHBondContact O-N 3.02Å; F260-I263 PolarHBondContact O-N 3.13Å; F260-L264 HydrophobicContact CB-CD1 4.28Å; F260-L264 WeakPolarHBondContact O-CB 3.37Å; F260-L264 WeakPolarHBondContact O-CD1 3.29Å; F260-L264 WeakPolarHBondContact O-CG 3.46Å; F260-L264 PolarHBondContact O-N 3.11Å; F260-L278 HydrophobicContact CD1-CD2 4.13Å; F260-L278 HydrophobicContact CE1-CD2 4.02Å; F260-P281 HydrophobicContact CD1-CB 4.05Å; F260-P281 HydrophobicContact CD1-CG 4Å; F260-P281 HydrophobicContact CE1-CB 4.12Å; F260-P281 HydrophobicContact CE1-CG 4.23Å; F260-P281 HydrophobicContact CG-CB 4.35Å; F260-V282 HydrophobicContact CE1-CG2 4.04Å; F260-V282 HydrophobicContact CE2-CG2 4.38Å; F260-V282 HydrophobicContact CZ-CG2 3.45Å; F260-V282 VanDerWaalsContact CZ-CG2 3.45Å; F260-F529 HydrophobicContact CE1-CE1 4.28Å; F260-F529 HydrophobicContact CE1-CZ 4.14Å; F260-F529 HydrophobicContact CE2-CE1 4.12Å; F260-F529 AromaticContact CZ-CE1 3.67Å; F260-F529 HydrophobicContact CZ-CE1 3.67Å; F260-F529 AromaticContact CZ-CZ 3.68Å; F260-F529 HydrophobicContact CZ-CZ 3.68Å
261	R	70	Confident	65.5	Low	105 Å²	105	46.8 Å²	46.8	40%	0.396	23%	0.225	S	C	.	.	H	α-helix	trans	-59.8	-43.9	-179.7	177.7	173.1	168.6	166.3	-9.3	110.8	E214 I257 S258 L264 E265	E214-R261 IonicContact OE1-CZ 2.92Å; E214-R261 IonicContact OE1-NH1 2.61Å; E214-R261 PolarHBondContact OE1-NH1 3.46Å; I257-R261 WeakPolarHBondContact O-CB 3.42Å; I257-R261 PolarHBondContact O-N 3.33Å; S258-R261 PolarHBondContact O-N 3.48Å; R261-L264 PolarHBondContact O-N 3.42Å; R261-E265 HydrophobicContact CG-CG 4.27Å; R261-E265 IonicContact CZ-OE1 2.66Å; R261-E265 IonicContact NE-OE1 3.72Å; R261-E265 PolarHBondContact NE-OE1 3.41Å; R261-E265 IonicContact NE-OE2 2.75Å; R261-E265 IonicContact NH2-OE1 2.65Å; R261-E265 PolarHBondContact NH2-OE1 3.16Å; R261-E265 VanDerWaalsContact O-CB 3.3Å; R261-E265 WeakPolarHBondContact O-CB 3.28Å; R261-E265 WeakPolarHBondContact O-CG 3.49Å; R261-E265 PolarHBondContact O-N 2.92Å
262	L	70.5	Confident	64.5	Low	88 Å²	88	45.6 Å²	45.6	46%	0.461	23%	0.227	S	C	.	.	H	α-helix	trans	-63.8	-50	177.2	-176.6	135.5	0	0	0	111.5	S258 K259 F260 L264 Q266	S258-L262 VanDerWaalsContact O-CB 3.22Å; S258-L262 WeakPolarHBondContact O-CB 3.42Å; S258-L262 PolarHBondContact O-N 2.99Å; K259-L262 PolarHBondContact O-N 3.43Å; F260-L262 VanDerWaalsContact C-N 3.31Å; F260-L262 PolarHBondContact O-N 3.02Å; L262-L264 VanDerWaalsContact C-N 3.25Å; L262-L264 PolarHBondContact O-N 2.91Å; L262-Q266 VanDerWaalsContact O-CB 3.26Å; L262-Q266 WeakPolarHBondContact O-CB 3.33Å; L262-Q266 WeakPolarHBondContact O-CG 3.18Å; L262-Q266 PolarHBondContact O-N 2.93Å
263	I	65.5	Low	63.7	Low	32 Å²	32	48.5 Å²	48.5	16%	0.164	24%	0.243	C	C	.	.	H	α-helix	trans	-59.7	-37.3	175.6	-74.4	-168.4	0	0	0	111.6	K259 F260 S267 L276 P281	K259-I263 WeakPolarHBondContact O-CB 3.45Å; K259-I263 WeakPolarHBondContact O-CG1 3.45Å; K259-I263 PolarHBondContact O-N 3.44Å; F260-I263 PolarHBondContact O-N 3.13Å; I263-S267 VanDerWaalsContact O-CB 3.25Å; I263-S267 WeakPolarHBondContact O-CB 3.24Å; I263-S267 PolarHBondContact O-N 3.47Å; I263-L276 HydrophobicContact CG2-CD1 3.43Å; I263-L276 VanDerWaalsContact CG2-CD1 3.43Å; I263-P281 HydrophobicContact CD1-CG 3.56Å; I263-P281 HydrophobicContact CG1-CG 4.46Å
264	L	64.8	Low	62.8	Low	3 Å²	3	51.5 Å²	51.5	2%	0.016	26%	0.259	C	S	.	.	H	α-helix	trans	-79.2	-40.7	-175.7	-68.9	167.6	0	0	0	112.1	L213 F260 R261 L262 S267 F268 L276 L278 F426	L213-L264 HydrophobicContact CD1-CB 3.65Å; L213-L264 HydrophobicContact CD2-CB 4.15Å; L213-L264 HydrophobicContact CD2-CD1 3.57Å; L213-L264 HydrophobicContact CD2-CG 4.33Å; F260-L264 HydrophobicContact CB-CD1 4.28Å; F260-L264 WeakPolarHBondContact O-CB 3.37Å; F260-L264 WeakPolarHBondContact O-CD1 3.29Å; F260-L264 WeakPolarHBondContact O-CG 3.46Å; F260-L264 PolarHBondContact O-N 3.11Å; R261-L264 PolarHBondContact O-N 3.42Å; L262-L264 VanDerWaalsContact C-N 3.25Å; L262-L264 PolarHBondContact O-N 2.91Å; L264-S267 WeakPolarHBondContact CA-OG 3.11Å; L264-S267 PolarHBondContact O-N 3.45Å; L264-S267 PolarHBondContact O-OG 2.89Å; L264-F268 WeakPolarHBondContact O-CD2 3.36Å; L264-F268 PolarHBondContact O-N 2.98Å; L264-F268 VanDerWaalsContact O-N 3.08Å; L264-L276 HydrophobicContact CD2-CD1 3.91Å; L264-L276 HydrophobicContact CD2-CD2 4.21Å; L264-L278 HydrophobicContact CD2-CD2 4.11Å; L264-F426 HydrophobicContact CD1-CZ 4.13Å; L264-F426 HydrophobicContact CD2-CD1 4Å; L264-F426 HydrophobicContact CD2-CE1 3.39Å; L264-F426 HydrophobicContact CD2-CE2 4.07Å; L264-F426 HydrophobicContact CD2-CZ 3.41Å; L264-F426 VanDerWaalsContact CD2-CZ 3.41Å; L264-F426 HydrophobicContact CG-CZ 4.42Å
265	E	66.5	Low	62	Low	64 Å²	64	53.2 Å²	53.2	30%	0.299	27%	0.267	S	S	.	.	H	α-helix	trans	-58.2	-47.8	166.4	-76.1	179.2	173.8	0	0	110.5	R261 S267 F268 L269	R261-E265 HydrophobicContact CG-CG 4.27Å; R261-E265 IonicContact CZ-OE1 2.66Å; R261-E265 IonicContact NE-OE1 3.72Å; R261-E265 PolarHBondContact NE-OE1 3.41Å; R261-E265 IonicContact NE-OE2 2.75Å; R261-E265 IonicContact NH2-OE1 2.65Å; R261-E265 PolarHBondContact NH2-OE1 3.16Å; R261-E265 VanDerWaalsContact O-CB 3.3Å; R261-E265 WeakPolarHBondContact O-CB 3.28Å; R261-E265 WeakPolarHBondContact O-CG 3.49Å; R261-E265 PolarHBondContact O-N 2.92Å; E265-S267 PolarHBondContact O-N 3.19Å; E265-F268 PolarHBondContact O-N 2.92Å; E265-L269 HydrophobicContact CB-CD1 4.26Å; E265-L269 WeakPolarHBondContact O-CB 3.46Å; E265-L269 WeakPolarHBondContact O-CG 3.23Å; E265-L269 PolarHBondContact O-N 2.75Å
266	Q	66.7	Low	61.3	Low	47 Å²	47	52.4 Å²	52.4	22%	0.22	26%	0.264	C	S	.	.	H	α-helix	trans	-59.1	-43.8	174.6	-72.7	179.7	-17.1	0	0	111.9	L262 F268 L269 I270 I274	L262-Q266 VanDerWaalsContact O-CB 3.26Å; L262-Q266 WeakPolarHBondContact O-CB 3.33Å; L262-Q266 WeakPolarHBondContact O-CG 3.18Å; L262-Q266 PolarHBondContact O-N 2.93Å; Q266-F268 PolarHBondContact O-N 3.04Å; Q266-L269 PolarHBondContact O-N 2.76Å; Q266-I270 HydrophobicContact CB-CD1 3.97Å; Q266-I270 HydrophobicContact CB-CG1 4.35Å; Q266-I270 HydrophobicContact CG-CD1 3.67Å; Q266-I270 HydrophobicContact CG-CG1 4.4Å; Q266-I270 WeakPolarHBondContact O-CB 3.01Å; Q266-I270 PolarHBondContact O-N 3.48Å; Q266-I274 HydrophobicContact CB-CD1 4.39Å
267	S	62.4	Low	60.9	Low	4 Å²	4	55.1 Å²	55.1	3%	0.028	28%	0.278	C	S	.	.	H	α-helix	trans	-65	-25.3	179.7	79.7	0	0	0	0	113.8	I263 L264 E265 R430	I263-S267 VanDerWaalsContact O-CB 3.25Å; I263-S267 WeakPolarHBondContact O-CB 3.24Å; I263-S267 PolarHBondContact O-N 3.47Å; L264-S267 WeakPolarHBondContact CA-OG 3.11Å; L264-S267 PolarHBondContact O-N 3.45Å; L264-S267 PolarHBondContact O-OG 2.89Å; E265-S267 PolarHBondContact O-N 3.19Å; S267-R430 WeakPolarHBondContact O-CD 3.18Å; S267-R430 VanDerWaalsContact O-CG 3.25Å; S267-R430 WeakPolarHBondContact O-CG 3.25Å; S267-R430 PolarHBondContact O-NE 3.16Å
268	F	63.9	Low	60.5	Low	24 Å²	24	54.6 Å²	54.6	11%	0.105	28%	0.276	C	S	.	.	H	α-helix	trans	-98.4	-17.4	177.3	-71	-54.8	0	0	0	114.1	L209 L264 E265 Q266 F426 N429 R430 I433 L522	L209-F268 HydrophobicContact CB-CE2 4.21Å; L209-F268 HydrophobicContact CB-CZ 4.42Å; L209-F268 HydrophobicContact CD1-CD1 4.12Å; L209-F268 HydrophobicContact CD1-CE1 3.78Å; L209-F268 HydrophobicContact CD1-CE2 4.32Å; L209-F268 HydrophobicContact CD1-CZ 3.88Å; L209-F268 HydrophobicContact CD2-CE1 4.36Å; L209-F268 HydrophobicContact CD2-CE2 4.34Å; L209-F268 HydrophobicContact CD2-CZ 3.79Å; L209-F268 HydrophobicContact CG-CZ 4.25Å; L264-F268 WeakPolarHBondContact O-CD2 3.36Å; L264-F268 PolarHBondContact O-N 2.98Å; L264-F268 VanDerWaalsContact O-N 3.08Å; E265-F268 PolarHBondContact O-N 2.92Å; Q266-F268 PolarHBondContact O-N 3.04Å; F268-F426 HydrophobicContact CE1-CD1 4.45Å; F268-F426 HydrophobicContact CE2-CD1 4.08Å; F268-F426 AromaticContact CE2-CE1 3.97Å; F268-F426 HydrophobicContact CE2-CE1 3.97Å; F268-F426 AromaticContact CZ-CD1 3.59Å; F268-F426 HydrophobicContact CZ-CD1 3.59Å; F268-F426 AromaticContact CZ-CE1 3.9Å; F268-F426 HydrophobicContact CZ-CE1 3.9Å; F268-N429 HydrophobicContact CE1-CB 4.01Å; F268-N429 HydrophobicContact CZ-CB 4.49Å; F268-R430 HydrophobicContact CD1-CB 4.34Å; F268-R430 HydrophobicContact CE1-CB 4.47Å; F268-I433 HydrophobicContact CB-CD1 4.35Å; F268-I433 HydrophobicContact CD1-CD1 3.68Å; F268-I433 HydrophobicContact CE1-CD1 4.32Å; F268-I433 HydrophobicContact CG-CD1 4.28Å; F268-L522 HydrophobicContact CZ-CD2 4.31Å
269	L	57.4	Low	60	Low	83 Å²	83	53 Å²	53	44%	0.435	26%	0.262	S	S	.	.	H	α-helix	trans	-121.1	-22.4	-170.2	-55.5	176.5	0	0	0	114.8	E265 Q266	E265-L269 HydrophobicContact CB-CD1 4.26Å; E265-L269 WeakPolarHBondContact O-CB 3.46Å; E265-L269 WeakPolarHBondContact O-CG 3.23Å; E265-L269 PolarHBondContact O-N 2.75Å; Q266-L269 PolarHBondContact O-N 2.76Å
270	I	54.5	Low	59.7	Low	58 Å²	58	55 Å²	55	30%	0.297	27%	0.274	S	S	.	.			trans	-89.9	146.1	172.8	-62.4	-175.3	0	0	0	108.9	Q266 D272 I274 R430	Q266-I270 HydrophobicContact CB-CD1 3.97Å; Q266-I270 HydrophobicContact CB-CG1 4.35Å; Q266-I270 HydrophobicContact CG-CD1 3.67Å; Q266-I270 HydrophobicContact CG-CG1 4.4Å; Q266-I270 WeakPolarHBondContact O-CB 3.01Å; Q266-I270 PolarHBondContact O-N 3.48Å; I270-D272 HydrophobicContact CG2-CB 4.03Å; I270-D272 WeakPolarHBondContact CG2-OD2 3.1Å; I270-I274 HydrophobicContact CB-CD1 4.24Å; I270-I274 HydrophobicContact CD1-CD1 4.36Å; I270-I274 HydrophobicContact CG2-CD1 4.01Å; I270-R430 PolarHBondContact O-NH2 3.09Å
271	Q	50.9	Low	59.6	Low	83 Å²	83	54.8 Å²	54.8	39%	0.388	27%	0.273	S	S	.	.			trans	-88.7	-29.5	-174.6	-71.4	166.2	-17.7	0	0	112.7	R430 P895	Q271-R430 PolarHBondContact O-NH2 2.65Å; Q271-P895 HydrophobicContact CG-CG 4.27Å; Q271-P895 VanDerWaalsContact OE1-CG 3.27Å
272	D	45.4	Very low	59.4	Low	109 Å²	109	49.8 Å²	49.8	58%	0.583	26%	0.255	S	S	*	.	S	Bend	trans	-54.1	138.1	176.4	-52.8	-56	0	0	0	111.6	I270 I274 R430	I270-D272 HydrophobicContact CG2-CB 4.03Å; I270-D272 WeakPolarHBondContact CG2-OD2 3.1Å; D272-I274 HydrophobicContact CB-CG1 4.26Å; D272-I274 PolarHBondContact O-N 3.29Å; D272-R430 PolarHBondContact O-NH1 2.82Å; D272-R430 PolarHBondContact O-NH2 2.9Å
273	D	45.6	Very low	59.3	Low	75 Å²	75	46.2 Å²	46.2	40%	0.401	24%	0.236	S	C	.	.			trans	-74.5	53.6	177.3	-73.5	-66.1	0	0	0	111.6	I275 K431 G892 F893	D273-I275 PolarHBondContact O-N 3.27Å; D273-K431 IonicContact OD1-NZ 3.79Å; D273-K431 PolarHBondContact OD1-NZ 3.45Å; D273-G892 WeakPolarHBondContact OD2-CA 3.47Å; D273-F893 PolarHBondContact OD2-N 3.22Å
274	I	49.3	Very low	59.4	Low	65 Å²	65	47.6 Å²	47.6	33%	0.333	24%	0.243	S	C	.	.			trans	-44.3	113.7	159.1	-59.5	173.3	0	0	0	106.9	Q266 I270 D272 L276 R430	Q266-I274 HydrophobicContact CB-CD1 4.39Å; I270-I274 HydrophobicContact CB-CD1 4.24Å; I270-I274 HydrophobicContact CD1-CD1 4.36Å; I270-I274 HydrophobicContact CG2-CD1 4.01Å; D272-I274 HydrophobicContact CB-CG1 4.26Å; D272-I274 PolarHBondContact O-N 3.29Å; I274-L276 PolarHBondContact O-N 3.49Å; I274-L276 VanDerWaalsContact O-N 3.13Å; I274-R430 PolarHBondContact O-NH1 2.85Å
275	I	51.8	Low	59.6	Low	105 Å²	105	47.8 Å²	47.8	54%	0.538	24%	0.244	S	C	.	.			trans	-59.6	118.7	169.3	-62.6	175.3	0	0	0	105.5	D273 D277	D273-I275 PolarHBondContact O-N 3.27Å; I275-D277 PolarHBondContact O-N 3.2Å
276	L	54.9	Low	59.7	Low	14 Å²	14	44.8 Å²	44.8	7%	0.073	23%	0.23	C	C	.	.			trans	-70.5	81.1	175.5	177.3	57.1	0	0	0	108.8	I263 L264 I274 L278 F426	I263-L276 HydrophobicContact CG2-CD1 3.43Å; I263-L276 VanDerWaalsContact CG2-CD1 3.43Å; L264-L276 HydrophobicContact CD2-CD1 3.91Å; L264-L276 HydrophobicContact CD2-CD2 4.21Å; I274-L276 PolarHBondContact O-N 3.49Å; I274-L276 VanDerWaalsContact O-N 3.13Å; L276-L278 HydrophobicContact CD1-CD2 3.9Å; L276-L278 HydrophobicContact CD1-CG 4.2Å; L276-L278 HydrophobicContact CG-CD2 4.3Å; L276-L278 HydrophobicContact CG-CG 4.1Å; L276-L278 PolarHBondContact O-N 3.27Å; L276-F426 HydrophobicContact CD2-CB 3.32Å; L276-F426 HydrophobicContact CD2-CD1 4.05Å; L276-F426 HydrophobicContact CD2-CD2 3.8Å; L276-F426 HydrophobicContact CD2-CG 3.5Å; L276-F426 VanDerWaalsContact CD2-CG 3.5Å
277	D	59	Low	59.8	Low	57 Å²	57	43.2 Å²	43.2	31%	0.305	22%	0.223	S	C	.	.			trans	-86.6	92.1	176.8	-162.8	-26.8	0	0	0	109	I275 M279 L280	I275-D277 PolarHBondContact O-N 3.2Å; D277-M279 PolarHBondContact O-N 3.08Å; D277-M279 VanDerWaalsContact OD1-CA 3.31Å; D277-M279 WeakPolarHBondContact OD1-CA 3.48Å; D277-M279 WeakPolarHBondContact OD1-CB 3.29Å; D277-M279 WeakPolarHBondContact OD1-CG 3.34Å; D277-M279 PolarHBondContact OD1-N 2.81Å; D277-L280 PolarHBondContact OD1-N 3.06Å
278	L	62.1	Low	60.3	Low	6 Å²	6	44.6 Å²	44.6	3%	0.031	23%	0.229	C	C	.	.	S	Bend	trans	-72.6	-7.8	172.6	-65.9	171.3	0	0	0	112.3	F260 L264 L276 V282 L422 F426	F260-L278 HydrophobicContact CD1-CD2 4.13Å; F260-L278 HydrophobicContact CE1-CD2 4.02Å; L264-L278 HydrophobicContact CD2-CD2 4.11Å; L276-L278 HydrophobicContact CD1-CD2 3.9Å; L276-L278 HydrophobicContact CD1-CG 4.2Å; L276-L278 HydrophobicContact CG-CD2 4.3Å; L276-L278 HydrophobicContact CG-CG 4.1Å; L276-L278 PolarHBondContact O-N 3.27Å; L278-V282 WeakPolarHBondContact O-CG2 3.33Å; L278-L422 HydrophobicContact CD1-CD2 3.8Å; L278-L422 HydrophobicContact CD1-CG 4.11Å; L278-F426 HydrophobicContact CD1-CD2 3.99Å; L278-F426 HydrophobicContact CD1-CE2 3.85Å
279	M	60.4	Low	60.5	Low	35 Å²	35	44 Å²	44	17%	0.172	23%	0.228	C	C	.	.	H	α-helix	trans	-74.9	-40.7	175.4	-38.5	-64.7	83	0	0	108.8	D277 V282 D283 Y418	D277-M279 PolarHBondContact O-N 3.08Å; D277-M279 VanDerWaalsContact OD1-CA 3.31Å; D277-M279 WeakPolarHBondContact OD1-CA 3.48Å; D277-M279 WeakPolarHBondContact OD1-CB 3.29Å; D277-M279 WeakPolarHBondContact OD1-CG 3.34Å; D277-M279 PolarHBondContact OD1-N 2.81Å; M279-V282 CarbonylContact O-C 3.58Å; M279-V282 WeakPolarHBondContact O-CA 3.47Å; M279-V282 WeakPolarHBondContact O-CB 3.42Å; M279-V282 PolarHBondContact O-N 2.7Å; M279-D283 WeakPolarHBondContact CB-OD2 3.14Å; M279-D283 WeakPolarHBondContact O-CB 3.41Å; M279-D283 PolarHBondContact O-N 2.82Å; M279-Y418 HydrophobicContact CE-CD1 3.69Å; M279-Y418 HydrophobicContact CE-CD2 3.95Å; M279-Y418 HydrophobicContact CE-CE1 3.43Å; M279-Y418 VanDerWaalsContact CE-CE1 3.43Å; M279-Y418 HydrophobicContact CE-CE2 3.72Å; M279-Y418 HydrophobicContact CE-CG 3.93Å; M279-Y418 VanDerWaalsContact CE-CZ 3.43Å; M279-Y418 HydrophobicContact SD-CD1 4.43Å; M279-Y418 HydrophobicContact SD-CD2 3.58Å; M279-Y418 VanDerWaalsContact SD-CD2 3.58Å; M279-Y418 HydrophobicContact SD-CE1 4.14Å; M279-Y418 HydrophobicContact SD-CE2 3.23Å; M279-Y418 WeakPolarHBondContact SD-CE2 3.35Å; M279-Y418 HydrophobicContact SD-CG 4.17Å; M279-Y418 VanDerWaalsContact SD-CZ 3.54Å
280	L	64.8	Low	61	Low	91 Å²	91	40 Å²	40	48%	0.476	21%	0.207	S	C	.	.	H	α-helix	trans	-55.5	-44.2	-172.9	-166.2	70	0	0	0	114.6	D277 N284	D277-L280 PolarHBondContact OD1-N 3.06Å; L280-N284 VanDerWaalsContact O-CB 3.32Å; L280-N284 WeakPolarHBondContact O-CB 3.34Å; L280-N284 PolarHBondContact O-N 3.09Å; L280-N284 PolarHBondContact O-ND2 2.96Å
281	P	65.7	Low	61.7	Low	3 Å²	3	38 Å²	38	2%	0.019	20%	0.196	C	C	.	.	H	α-helix	trans	-67.9	-36.4	172.5	-22.1	35.6	0	0	0	113.7	L256 K259 F260 I263 Y285	L256-P281 HydrophobicContact CD1-CB 3.96Å; L256-P281 VanDerWaalsContact CD1-O 3.31Å; L256-P281 WeakPolarHBondContact CD1-O 3.48Å; K259-P281 HydrophobicContact CB-CB 3.94Å; K259-P281 HydrophobicContact CB-CG 4.34Å; F260-P281 HydrophobicContact CD1-CB 4.05Å; F260-P281 HydrophobicContact CD1-CG 4Å; F260-P281 HydrophobicContact CE1-CB 4.12Å; F260-P281 HydrophobicContact CE1-CG 4.23Å; F260-P281 HydrophobicContact CG-CB 4.35Å; I263-P281 HydrophobicContact CD1-CG 3.56Å; I263-P281 HydrophobicContact CG1-CG 4.46Å; P281-Y285 WeakPolarHBondContact O-CB 3.47Å; P281-Y285 PolarHBondContact O-N 2.76Å
282	V	65.6	Low	62.5	Low	0 Å²	0	37.6 Å²	37.6	0%	0	20%	0.195	C	C	.	.	H	α-helix	trans	-66.9	-59.8	-177.5	167.9	0	0	0	0	109.2	F260 L278 M279 N284 Y285 L286 L533 Y536 Y537	F260-V282 HydrophobicContact CE1-CG2 4.04Å; F260-V282 HydrophobicContact CE2-CG2 4.38Å; F260-V282 HydrophobicContact CZ-CG2 3.45Å; F260-V282 VanDerWaalsContact CZ-CG2 3.45Å; L278-V282 WeakPolarHBondContact O-CG2 3.33Å; M279-V282 CarbonylContact O-C 3.58Å; M279-V282 WeakPolarHBondContact O-CA 3.47Å; M279-V282 WeakPolarHBondContact O-CB 3.42Å; M279-V282 PolarHBondContact O-N 2.7Å; V282-N284 VanDerWaalsContact C-N 3.28Å; V282-N284 PolarHBondContact O-N 2.98Å; V282-Y285 CarbonylContact O-C 3.6Å; V282-Y285 WeakPolarHBondContact O-CA 3.47Å; V282-Y285 WeakPolarHBondContact O-CB 3.46Å; V282-Y285 PolarHBondContact O-N 3.38Å; V282-L286 PolarHBondContact O-N 2.82Å; V282-L533 HydrophobicContact CG1-CD2 4.05Å; V282-L533 HydrophobicContact CG2-CD1 4.39Å; V282-L533 HydrophobicContact CG2-CG 4.49Å; V282-Y536 HydrophobicContact CG1-CE1 4.49Å; V282-Y537 VanDerWaalsContact C-OH 3.25Å; V282-Y537 HydrophobicContact CG1-CE1 3.51Å; V282-Y537 VanDerWaalsContact CG1-CZ 3.48Å; V282-Y537 WeakPolarHBondContact CG1-OH 3.29Å; V282-Y537 PolarHBondContact O-OH 2.95Å
283	D	67.5	Low	63.6	Low	13 Å²	13	32.7 Å²	32.7	7%	0.07	17%	0.169	C	C	.	.	H	α-helix	trans	-58.8	-40.6	-178.6	-61	-15.8	0	0	0	110.9	M279 Y285 L286 I287 F328	M279-D283 WeakPolarHBondContact CB-OD2 3.14Å; M279-D283 WeakPolarHBondContact O-CB 3.41Å; M279-D283 PolarHBondContact O-N 2.82Å; D283-Y285 PolarHBondContact O-N 3.05Å; D283-L286 PolarHBondContact O-N 3.34Å; D283-I287 WeakPolarHBondContact O-CB 3.48Å; D283-I287 WeakPolarHBondContact O-CD1 3.24Å; D283-I287 WeakPolarHBondContact O-CG1 3.41Å; D283-I287 PolarHBondContact O-N 3.37Å; D283-F328 HydrophobicContact CB-CD1 3.69Å; D283-F328 HydrophobicContact CB-CD2 4.21Å; D283-F328 HydrophobicContact CB-CE1 3.58Å; D283-F328 HydrophobicContact CB-CE2 4.11Å; D283-F328 HydrophobicContact CB-CG 4.01Å; D283-F328 HydrophobicContact CB-CZ 3.78Å; D283-F328 WeakPolarHBondContact OD1-CD1 3.39Å; D283-F328 WeakPolarHBondContact OD1-CE1 3.43Å; D283-F328 VanDerWaalsContact OD2-CD1 3.28Å; D283-F328 WeakPolarHBondContact OD2-CD1 3.3Å
284	N	69.2	Low	64.6	Low	60 Å²	60	29.5 Å²	29.5	32%	0.321	15%	0.152	S	C	.	.	H	α-helix	trans	-58.1	-44.8	170.5	-89.6	-77.5	0	0	0	112.8	L280 V282 I287 Q288	L280-N284 VanDerWaalsContact O-CB 3.32Å; L280-N284 WeakPolarHBondContact O-CB 3.34Å; L280-N284 PolarHBondContact O-N 3.09Å; L280-N284 PolarHBondContact O-ND2 2.96Å; V282-N284 VanDerWaalsContact C-N 3.28Å; V282-N284 PolarHBondContact O-N 2.98Å; N284-I287 PolarHBondContact O-N 2.96Å; N284-Q288 WeakPolarHBondContact O-CB 3.47Å; N284-Q288 VanDerWaalsContact O-CG 3.26Å; N284-Q288 WeakPolarHBondContact O-CG 3.3Å; N284-Q288 PolarHBondContact O-N 3.23Å; N284-Q288 PolarHBondContact O-OE1 2.94Å
285	Y	69.3	Low	65.5	Low	8 Å²	8	26.9 Å²	26.9	3%	0.031	14%	0.14	C	C	.	.	H	α-helix	trans	-66.3	-35.9	176.3	169.4	-86.7	0	0	0	112.4	H252 I253 L256 P281 V282 D283 S289 Y537	H252-Y285 HydrophobicContact CB-CD2 3.87Å; H252-Y285 HydrophobicContact CB-CE2 3.65Å; H252-Y285 WeakPolarHBondContact O-CD2 3.4Å; I253-Y285 HydrophobicContact CG1-CE2 4.36Å; L256-Y285 HydrophobicContact CB-CD2 3.76Å; L256-Y285 HydrophobicContact CB-CE2 4.45Å; L256-Y285 HydrophobicContact CB-CG 4.24Å; L256-Y285 HydrophobicContact CD1-CG 4.34Å; L256-Y285 HydrophobicContact CD2-CD1 4.18Å; L256-Y285 HydrophobicContact CD2-CD2 3.81Å; L256-Y285 HydrophobicContact CD2-CE1 4.45Å; L256-Y285 HydrophobicContact CD2-CE2 4.1Å; L256-Y285 HydrophobicContact CD2-CG 3.83Å; L256-Y285 HydrophobicContact CG-CD2 4.28Å; L256-Y285 HydrophobicContact CG-CG 4.35Å; P281-Y285 WeakPolarHBondContact O-CB 3.47Å; P281-Y285 PolarHBondContact O-N 2.76Å; V282-Y285 CarbonylContact O-C 3.6Å; V282-Y285 WeakPolarHBondContact O-CA 3.47Å; V282-Y285 WeakPolarHBondContact O-CB 3.46Å; V282-Y285 PolarHBondContact O-N 3.38Å; D283-Y285 PolarHBondContact O-N 3.05Å; Y285-S289 VanDerWaalsContact O-CB 3.26Å; Y285-S289 WeakPolarHBondContact O-CB 3.33Å; Y285-S289 PolarHBondContact O-N 2.79Å; Y285-S289 PolarHBondContact O-OG 2.73Å; Y285-Y537 HydrophobicContact CD1-CE2 4.26Å; Y285-Y537 HydrophobicContact CE1-CE2 4.38Å
286	L	67.7	Low	66	Low	0 Å²	0	26.5 Å²	26.5	0%	0	14%	0.136	C	C	.	.	H	α-helix	trans	-68	-41.3	174.1	-165.3	69.8	0	0	0	111.3	V282 D283 S289 L290 F328 Y537 L540 L558 F562	V282-L286 PolarHBondContact O-N 2.82Å; D283-L286 PolarHBondContact O-N 3.34Å; L286-S289 PolarHBondContact O-N 3.29Å; L286-L290 HydrophobicContact CD2-CD1 4.27Å; L286-L290 HydrophobicContact CG-CD1 3.95Å; L286-L290 VanDerWaalsContact O-CB 3.28Å; L286-L290 WeakPolarHBondContact O-CB 3.34Å; L286-L290 WeakPolarHBondContact O-CG 3.22Å; L286-L290 PolarHBondContact O-N 2.79Å; L286-F328 HydrophobicContact CB-CZ 4.39Å; L286-F328 HydrophobicContact CD2-CZ 3.93Å; L286-Y537 HydrophobicContact CB-CD1 4.37Å; L286-Y537 HydrophobicContact CB-CE1 3.64Å; L286-Y537 HydrophobicContact CD1-CD1 3.79Å; L286-Y537 HydrophobicContact CD1-CD2 4.27Å; L286-Y537 HydrophobicContact CD1-CE1 3.82Å; L286-Y537 HydrophobicContact CD1-CE2 4.24Å; L286-Y537 HydrophobicContact CD1-CG 4Å; L286-Y537 HydrophobicContact CD2-CD1 3.71Å; L286-Y537 HydrophobicContact CD2-CE1 3.78Å; L286-Y537 HydrophobicContact CG-CD1 4.15Å; L286-Y537 HydrophobicContact CG-CE1 3.92Å; L286-L540 HydrophobicContact CD2-CD1 4.5Å; L286-L540 HydrophobicContact CD2-CD2 4.09Å; L286-L558 HydrophobicContact CD1-CD2 4.1Å; L286-F562 HydrophobicContact CD1-CE2 4.23Å
287	I	69.7	Low	65.9	Low	15 Å²	15	27.6 Å²	27.6	8%	0.077	15%	0.145	C	C	.	.	H	α-helix	trans	-57.5	-53.9	173.4	-69.9	162.3	0	0	0	109.6	D283 N284 S289 L290 L291 Q321 L324 N325 F328	D283-I287 WeakPolarHBondContact O-CB 3.48Å; D283-I287 WeakPolarHBondContact O-CD1 3.24Å; D283-I287 WeakPolarHBondContact O-CG1 3.41Å; D283-I287 PolarHBondContact O-N 3.37Å; N284-I287 PolarHBondContact O-N 2.96Å; I287-S289 PolarHBondContact O-N 2.96Å; I287-L290 PolarHBondContact O-N 2.96Å; I287-L291 HydrophobicContact CG2-CD1 3.6Å; I287-L291 HydrophobicContact CG2-CG 4.24Å; I287-L291 WeakPolarHBondContact O-CB 3.46Å; I287-L291 WeakPolarHBondContact O-CG 3.3Å; I287-L291 PolarHBondContact O-N 3.49Å; I287-Q321 HydrophobicContact CG2-CG 4.18Å; I287-L324 HydrophobicContact CG1-CB 4.04Å; I287-L324 HydrophobicContact CG1-CD1 4.29Å; I287-N325 WeakPolarHBondContact CD1-OD1 3.44Å; I287-F328 HydrophobicContact CD1-CD2 3.99Å; I287-F328 HydrophobicContact CD1-CE2 3.88Å; I287-F328 HydrophobicContact CG1-CD2 4.28Å; I287-F328 HydrophobicContact CG1-CE2 3.69Å
288	Q	71.9	Confident	65.5	Low	32 Å²	32	29.3 Å²	29.3	15%	0.15	15%	0.153	C	C	.	.	H	α-helix	trans	-57.3	-46.9	177.8	-70.3	173.9	-62.8	0	0	111.9	E255 N284 L290 L291 E292	E255-Q288 PolarHBondContact OE1-NE2 3.4Å; E255-Q288 PolarHBondContact OE1-OE1 3.37Å; E255-Q288 PolarHBondContact OE2-NE2 2.03Å; N284-Q288 WeakPolarHBondContact O-CB 3.47Å; N284-Q288 VanDerWaalsContact O-CG 3.26Å; N284-Q288 WeakPolarHBondContact O-CG 3.3Å; N284-Q288 PolarHBondContact O-N 3.23Å; N284-Q288 PolarHBondContact O-OE1 2.94Å; Q288-L290 PolarHBondContact O-N 3.36Å; Q288-L291 PolarHBondContact O-N 3.44Å; Q288-E292 PolarHBondContact O-N 2.95Å
289	S	67.9	Low	64.8	Low	11 Å²	11	33.2 Å²	33.2	8%	0.077	17%	0.174	C	C	.	.	H	α-helix	trans	-64.8	-35.7	178.7	-56.4	0	0	0	0	113.1	Y285 L286 I287 T293 L558	Y285-S289 VanDerWaalsContact O-CB 3.26Å; Y285-S289 WeakPolarHBondContact O-CB 3.33Å; Y285-S289 PolarHBondContact O-N 2.79Å; Y285-S289 PolarHBondContact O-OG 2.73Å; L286-S289 PolarHBondContact O-N 3.29Å; I287-S289 PolarHBondContact O-N 2.96Å; S289-T293 WeakPolarHBondContact O-CB 3.25Å; S289-T293 VanDerWaalsContact O-CG2 3.28Å; S289-T293 WeakPolarHBondContact O-CG2 3.48Å; S289-T293 PolarHBondContact O-N 2.92Å; S289-T293 VanDerWaalsContact O-N 3.1Å; S289-T293 PolarHBondContact O-OG1 3.17Å; S289-L558 WeakPolarHBondContact O-CD1 3.33Å
290	L	67.2	Low	64.3	Low	0 Å²	0	38.2 Å²	38.2	0%	0	20%	0.199	C	C	.	.	H	α-helix	trans	-74.7	-37.1	176.4	-83.7	169	0	0	0	112.5	L286 I287 Q288 T293 S294 L324 L541 I555 L558	L286-L290 HydrophobicContact CD2-CD1 4.27Å; L286-L290 HydrophobicContact CG-CD1 3.95Å; L286-L290 VanDerWaalsContact O-CB 3.28Å; L286-L290 WeakPolarHBondContact O-CB 3.34Å; L286-L290 WeakPolarHBondContact O-CG 3.22Å; L286-L290 PolarHBondContact O-N 2.79Å; I287-L290 PolarHBondContact O-N 2.96Å; Q288-L290 PolarHBondContact O-N 3.36Å; L290-T293 WeakPolarHBondContact CA-OG1 3.34Å; L290-T293 PolarHBondContact O-OG1 3.08Å; L290-S294 WeakPolarHBondContact O-CB 3.47Å; L290-S294 PolarHBondContact O-N 3.29Å; L290-S294 PolarHBondContact O-OG 3.21Å; L290-L324 HydrophobicContact CB-CD1 3.76Å; L290-L324 HydrophobicContact CD1-CD1 3.64Å; L290-L324 HydrophobicContact CD1-CD2 3.54Å; L290-L324 HydrophobicContact CD1-CG 4.25Å; L290-L324 HydrophobicContact CG-CD1 4.35Å; L290-L541 HydrophobicContact CD1-CD2 4.33Å; L290-L541 HydrophobicContact CD2-CD2 4.44Å; L290-I555 HydrophobicContact CD2-CB 4.14Å; L290-I555 HydrophobicContact CD2-CD1 4.42Å; L290-I555 HydrophobicContact CD2-CG1 4.07Å; L290-L558 HydrophobicContact CD2-CB 4.17Å; L290-L558 HydrophobicContact CD2-CD1 4.04Å; L290-L558 HydrophobicContact CD2-CD2 3.84Å; L290-L558 HydrophobicContact CD2-CG 4.25Å; L290-L558 HydrophobicContact CG-CD1 4.04Å; L290-L558 HydrophobicContact CG-CD2 4.11Å
291	L	69.5	Low	63.3	Low	15 Å²	15	39.6 Å²	39.6	8%	0.079	21%	0.207	C	C	.	.	H	α-helix	trans	-62	-52.8	173.6	-71.8	168.4	0	0	0	110.5	I287 Q288 T293 S294 C295 H317 C320 Q321	I287-L291 HydrophobicContact CG2-CD1 3.6Å; I287-L291 HydrophobicContact CG2-CG 4.24Å; I287-L291 WeakPolarHBondContact O-CB 3.46Å; I287-L291 WeakPolarHBondContact O-CG 3.3Å; I287-L291 PolarHBondContact O-N 3.49Å; Q288-L291 PolarHBondContact O-N 3.44Å; L291-T293 PolarHBondContact O-N 2.98Å; L291-S294 PolarHBondContact O-N 3.18Å; L291-C295 WeakPolarHBondContact O-CB 3.39Å; L291-C295 PolarHBondContact O-N 3.36Å; L291-H317 HydrophobicContact CD2-CB 3.95Å; L291-H317 WeakPolarHBondContact CD2-O 3.34Å; L291-C320 HydrophobicContact CD2-CB 4.06Å; L291-Q321 HydrophobicContact CD1-CB 4.46Å; L291-Q321 HydrophobicContact CD2-CB 4.22Å
292	E	68.6	Low	62.7	Low	76 Å²	76	44.5 Å²	44.5	36%	0.355	24%	0.242	S	C	.	.	H	α-helix	trans	-59.6	-44.9	177.5	-70	-149.7	149.7	0	0	112.2	H252 Q288 S294 Q296	H252-E292 IonicContact CD2-OE2 2.84Å; H252-E292 IonicContact CE1-OE1 2.69Å; H252-E292 PolarHBondContact CE1-OE1 3.29Å; H252-E292 IonicContact CE1-OE2 3.69Å; H252-E292 VanDerWaalsContact NE2-CD 3.29Å; H252-E292 IonicContact NE2-OE1 3.17Å; H252-E292 PolarHBondContact NE2-OE1 3.44Å; H252-E292 IonicContact NE2-OE2 3.94Å; H252-E292 PolarHBondContact NE2-OE2 2.81Å; Q288-E292 PolarHBondContact O-N 2.95Å; E292-S294 VanDerWaalsContact C-N 3.31Å; E292-S294 PolarHBondContact O-N 3.13Å; E292-Q296 WeakPolarHBondContact O-CB 2.99Å
293	T	68.2	Low	62.1	Low	6 Å²	6	53 Å²	53	4%	0.037	28%	0.279	C	S	.	.	H	α-helix	trans	-72.3	-21.1	-178.9	51.8	0	0	0	0	114.7	W247 S289 L290 L291 G554 L558	W247-T293 HydrophobicContact CZ2-CG2 3.51Å; S289-T293 WeakPolarHBondContact O-CB 3.25Å; S289-T293 VanDerWaalsContact O-CG2 3.28Å; S289-T293 WeakPolarHBondContact O-CG2 3.48Å; S289-T293 PolarHBondContact O-N 2.92Å; S289-T293 VanDerWaalsContact O-N 3.1Å; S289-T293 PolarHBondContact O-OG1 3.17Å; L290-T293 WeakPolarHBondContact CA-OG1 3.34Å; L290-T293 PolarHBondContact O-OG1 3.08Å; L291-T293 PolarHBondContact O-N 2.98Å; T293-G554 VanDerWaalsContact O-CA 3.31Å; T293-G554 WeakPolarHBondContact O-CA 2.95Å; T293-L558 HydrophobicContact CG2-CB 4.49Å; T293-L558 HydrophobicContact CG2-CD1 4.15Å
294	S	66.3	Low	61.3	Low	8 Å²	8	59.4 Å²	59.4	6%	0.056	31%	0.313	C	S	.	.	H	α-helix	trans	-101.5	-29	-175.2	-57.4	0	0	0	0	114.8	L290 L291 E292 S553 G554	L290-S294 WeakPolarHBondContact O-CB 3.47Å; L290-S294 PolarHBondContact O-N 3.29Å; L290-S294 PolarHBondContact O-OG 3.21Å; L291-S294 PolarHBondContact O-N 3.18Å; E292-S294 VanDerWaalsContact C-N 3.31Å; E292-S294 PolarHBondContact O-N 3.13Å; S294-S553 PolarHBondContact O-OG 3.3Å; S294-G554 WeakPolarHBondContact OG-CA 3.33Å; S294-G554 PolarHBondContact OG-N 3.38Å
295	C	68.7	Low	60.6	Low	10 Å²	10	61.9 Å²	61.9	7%	0.068	33%	0.325	C	S	.	.	S	Bend	trans	-120	30.4	-169.5	-58.3	0	0	0	0	112.9	L291 C316 H317	L291-C295 WeakPolarHBondContact O-CB 3.39Å; L291-C295 PolarHBondContact O-N 3.36Å; C295-C316 WeakPolarHBondContact CA-SG 3.34Å; C295-C316 HydrophobicContact CB-CB 3.76Å; C295-C316 WeakPolarHBondContact CB-SG 3.23Å; C295-C316 WeakPolarHBondContact SG-CB 3.4Å; C295-C316 PolarHBondContact SG-O 3.05Å; C295-C316 CovalentContact SG-SG 2.04Å; C295-C316 PolarHBondContact SG-SG 2.97Å; C295-H317 WeakPolarHBondContact CB-CE1 3.18Å; C295-H317 WeakPolarHBondContact CB-ND1 3.12Å
296	Q	62.8	Low	60.2	Low	97 Å²	97	67.9 Å²	67.9	45%	0.453	35%	0.353	S	S	.	.			trans	-87.4	104	176.6	-161.1	160.3	32.5	0	0	110.2	E292	E292-Q296 WeakPolarHBondContact O-CB 2.99Å
297	S	52	Low	59.9	Low	37 Å²	37	71.8 Å²	71.8	26%	0.259	39%	0.386	S	S	.	.			trans	-78.8	149.8	165.6	68.5	0	0	0	0	110.6	I299 E309	S297-I299 VanDerWaalsContact C-N 3.25Å; S297-I299 PolarHBondContact O-N 2.93Å; S297-I299 VanDerWaalsContact OG-CG1 3.32Å; S297-I299 WeakPolarHBondContact OG-CG1 3.4Å; S297-E309 WeakPolarHBondContact CB-OE1 3.41Å; S297-E309 PolarHBondContact OG-OE1 3.48Å
298	N	50.6	Low	59.5	Low	92 Å²	92	78.2 Å²	78.2	49%	0.492	42%	0.415	S	S	.	.			trans	-78.6	75.4	175.2	-81.7	-6.4	0	0	0	109.7	I300	N298-I300 VanDerWaalsContact C-N 3.25Å; N298-I300 HydrophobicContact CB-CD1 4.25Å; N298-I300 HydrophobicContact CB-CG1 4.34Å; N298-I300 PolarHBondContact O-N 3.17Å
299	I	47.3	Very low	59	Low	89 Å²	89	80.4 Å²	80.4	46%	0.456	43%	0.425	S	S	.	.			trans	-69.9	83.3	174.9	-51.3	177.9	0	0	0	108.9	S297	S297-I299 VanDerWaalsContact C-N 3.25Å; S297-I299 PolarHBondContact O-N 2.93Å; S297-I299 VanDerWaalsContact OG-CG1 3.32Å; S297-I299 WeakPolarHBondContact OG-CG1 3.4Å
300	I	49.6	Very low	58.8	Low	139 Å²	139	84.2 Å²	84.2	71%	0.713	45%	0.445	S	S	*	.			trans	-80.3	-29.8	-176	-72.3	166.1	0	0	0	111.8	N298	N298-I300 VanDerWaalsContact C-N 3.25Å; N298-I300 HydrophobicContact CB-CD1 4.25Å; N298-I300 HydrophobicContact CB-CG1 4.34Å; N298-I300 PolarHBondContact O-N 3.17Å
301	D	43.4	Very low	59	Low	120 Å²	120	87.9 Å²	87.9	64%	0.642	46%	0.464	S	S	*	.			trans	-127	109.1	-179.1	-95.4	-62.1	0	0	0	112.6	K303	D301-K303 PolarHBondContact O-N 2.85Å
302	S	53.4	Low	59	Low	106 Å²	106	92.6 Å²	92.6	74%	0.741	49%	0.486	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73.4	21.7	-177.6	71.5	0	0	0	0	115
303	K	53.8	Low	59	Low	180 Å²	180	92.5 Å²	92.5	78%	0.783	48%	0.484	S	S	*	.	T	Hydrogen-bonded Turn	trans	-123.2	-13.8	-170.4	-73.7	-176.2	177.2	176.2	0	115.5	D301	D301-K303 PolarHBondContact O-N 2.85Å
304	N	49.8	Very low	59.3	Low	147 Å²	147	96 Å²	96	79%	0.786	50%	0.502	S	S	*	.			trans	-141	69.4	176.9	-93	-21.8	0	0	0	110	Q306	N304-Q306 PolarHBondContact O-N 2.71Å
305	I	55.3	Low	59.8	Low	111 Å²	111	98.6 Å²	98.6	57%	0.569	51%	0.512	S	S	*	.			trans	-71.8	108.5	168.8	-57.6	174.9	0	0	0	107.3	L310	I305-L310 HydrophobicContact CG2-CB 4.37Å
306	Q	60.9	Low	60.2	Low	135 Å²	135	99.7 Å²	99.7	63%	0.631	52%	0.52	S	S	*	.			trans	-75	139.2	170.5	-68.8	-170.6	-26.3	0	0	109.5	N304 E308 E309 L310	N304-Q306 PolarHBondContact O-N 2.71Å; Q306-E308 PolarHBondContact O-N 2.93Å; Q306-E308 VanDerWaalsContact O-N 3.17Å; Q306-E309 PolarHBondContact O-N 2.81Å; Q306-E309 VanDerWaalsContact O-N 3.09Å; Q306-L310 PolarHBondContact O-N 2.88Å
307	A	61.1	Low	60.8	Low	82 Å²	82	97.5 Å²	97.5	68%	0.678	51%	0.509	S	S	*	.	H	α-helix	trans	-58.5	-31.9	-176.5	0	0	0	0	0	112.7	L310 D311	A307-L310 PolarHBondContact O-N 2.82Å; A307-D311 WeakPolarHBondContact O-CB 3.33Å; A307-D311 PolarHBondContact O-N 3.12Å
308	E	62	Low	62	Low	149 Å²	149	101.7 Å²	101.7	70%	0.696	53%	0.525	S	S	*	.	H	α-helix	trans	-65.3	-36.3	177.8	-61.9	175.1	-175.9	0	0	112.7	Q306 D311 E312	Q306-E308 PolarHBondContact O-N 2.93Å; Q306-E308 VanDerWaalsContact O-N 3.17Å; E308-D311 PolarHBondContact O-N 2.95Å; E308-E312 PolarHBondContact O-N 2.77Å
309	E	60.8	Low	63.3	Low	78 Å²	78	103.8 Å²	103.8	36%	0.364	53%	0.527	S	S	.	.	H	α-helix	trans	-71.5	-34.9	176.3	-161.9	-164.9	151.8	0	0	111.4	S297 Q306 K313	S297-E309 WeakPolarHBondContact CB-OE1 3.41Å; S297-E309 PolarHBondContact OG-OE1 3.48Å; Q306-E309 PolarHBondContact O-N 2.81Å; Q306-E309 VanDerWaalsContact O-N 3.09Å; E309-K313 WeakPolarHBondContact O-CB 3.19Å; E309-K313 PolarHBondContact O-N 2.86Å; E309-K313 VanDerWaalsContact O-N 3.09Å
310	L	63.3	Low	64.8	Low	92 Å²	92	99.5 Å²	99.5	48%	0.482	51%	0.505	S	S	.	.	H	α-helix	trans	-69.2	-40.5	174.8	-174.8	62.5	0	0	0	111.5	I305 Q306 A307 K313 I314	I305-L310 HydrophobicContact CG2-CB 4.37Å; Q306-L310 PolarHBondContact O-N 2.88Å; A307-L310 PolarHBondContact O-N 2.82Å; L310-K313 PolarHBondContact O-N 3.04Å; L310-I314 HydrophobicContact CG-CD1 4.08Å; L310-I314 VanDerWaalsContact O-CG1 3.29Å; L310-I314 WeakPolarHBondContact O-CG1 3.22Å; L310-I314 PolarHBondContact O-N 3.42Å
311	D	71.7	Confident	66.3	Low	76 Å²	76	97.1 Å²	97.1	41%	0.406	49%	0.491	S	S	.	.	H	α-helix	trans	-63.5	-46.8	176.6	-178.5	40.3	0	0	0	111.9	A307 E308 K313 I314 K315	A307-D311 WeakPolarHBondContact O-CB 3.33Å; A307-D311 PolarHBondContact O-N 3.12Å; E308-D311 PolarHBondContact O-N 2.95Å; D311-K313 VanDerWaalsContact C-N 3.31Å; D311-K313 PolarHBondContact O-N 3.43Å; D311-I314 PolarHBondContact O-N 3.18Å; D311-K315 WeakPolarHBondContact O-CG 3.34Å; D311-K315 PolarHBondContact O-N 3.45Å; D311-K315 WeakPolarHBondContact OD1-CE 3.43Å; D311-K315 IonicContact OD1-NZ 2.67Å; D311-K315 WeakPolarHBondContact OD2-CE 3.18Å; D311-K315 IonicContact OD2-NZ 3.96Å; D311-K315 PolarHBondContact OD2-NZ 3.14Å
312	E	69.5	Low	68	Low	115 Å²	115	94.4 Å²	94.4	54%	0.537	49%	0.485	S	S	.	.	H	α-helix	trans	-60.9	-38	172.3	-74.8	-59.5	114.1	0	0	112.7	E308 K315 C316	E308-E312 PolarHBondContact O-N 2.77Å; E312-K315 WeakPolarHBondContact OE1-CD 3.39Å; E312-K315 IonicContact OE1-NZ 3.83Å; E312-K315 PolarHBondContact OE1-NZ 3.08Å; E312-C316 WeakPolarHBondContact O-CB 3.47Å; E312-C316 PolarHBondContact O-N 3.43Å
313	K	69.1	Low	69.1	Low	74 Å²	74	92 Å²	92	32%	0.322	46%	0.46	S	S	.	.	H	α-helix	trans	-64	-44	174.1	-173.2	175.8	-179.1	-178.7	0	111.7	E309 L310 D311 C316 H317	E309-K313 WeakPolarHBondContact O-CB 3.19Å; E309-K313 PolarHBondContact O-N 2.86Å; E309-K313 VanDerWaalsContact O-N 3.09Å; L310-K313 PolarHBondContact O-N 3.04Å; D311-K313 VanDerWaalsContact C-N 3.31Å; D311-K313 PolarHBondContact O-N 3.43Å; K313-C316 PolarHBondContact O-N 2.99Å; K313-H317 PolarHBondContact O-N 2.81Å; K313-H317 VanDerWaalsContact O-N 3.12Å; K313-H317 PolarHBondContact O-ND1 3.16Å
314	I	73.5	Confident	70	Confident	78 Å²	78	83.4 Å²	83.4	40%	0.4	42%	0.422	S	S	.	.	H	α-helix	trans	-60.6	-51.5	177.7	-71.4	163.2	0	0	0	110.2	L310 D311 C316 H317 E318	L310-I314 HydrophobicContact CG-CD1 4.08Å; L310-I314 VanDerWaalsContact O-CG1 3.29Å; L310-I314 WeakPolarHBondContact O-CG1 3.22Å; L310-I314 PolarHBondContact O-N 3.42Å; D311-I314 PolarHBondContact O-N 3.18Å; I314-C316 VanDerWaalsContact C-N 3.31Å; I314-C316 PolarHBondContact O-N 3.26Å; I314-H317 WeakPolarHBondContact O-CA 3.15Å; I314-H317 WeakPolarHBondContact O-CB 3.25Å; I314-H317 PolarHBondContact O-N 3.48Å; I314-E318 HydrophobicContact CG2-CG 4.33Å; I314-E318 PolarHBondContact O-N 3.13Å
315	K	77	Confident	71.2	Confident	63 Å²	63	79.3 Å²	79.3	27%	0.274	40%	0.4	S	S	.	.	H	α-helix	trans	-53.7	-46.5	175.9	-68.1	168.3	-156	160.2	0	112.1	D311 E312 H317 E318 Y319	D311-K315 WeakPolarHBondContact O-CG 3.34Å; D311-K315 PolarHBondContact O-N 3.45Å; D311-K315 WeakPolarHBondContact OD1-CE 3.43Å; D311-K315 IonicContact OD1-NZ 2.67Å; D311-K315 WeakPolarHBondContact OD2-CE 3.18Å; D311-K315 IonicContact OD2-NZ 3.96Å; D311-K315 PolarHBondContact OD2-NZ 3.14Å; E312-K315 WeakPolarHBondContact OE1-CD 3.39Å; E312-K315 IonicContact OE1-NZ 3.83Å; E312-K315 PolarHBondContact OE1-NZ 3.08Å; K315-H317 VanDerWaalsContact C-N 3.26Å; K315-H317 PolarHBondContact O-N 2.89Å; K315-E318 PolarHBondContact O-N 2.72Å; K315-Y319 HydrophobicContact CB-CD2 4.2Å; K315-Y319 HydrophobicContact CB-CE2 4.17Å; K315-Y319 WeakPolarHBondContact O-CB 3.43Å; K315-Y319 WeakPolarHBondContact O-CD2 3.26Å; K315-Y319 PolarHBondContact O-N 2.69Å
316	C	77.9	Confident	72.1	Confident	34 Å²	34	78.7 Å²	78.7	23%	0.23	40%	0.398	C	S	.	.	H	α-helix	trans	-57.8	-41	178.2	-174.8	0	0	0	0	111.7	C295 E312 K313 I314 C320	C295-C316 WeakPolarHBondContact CA-SG 3.34Å; C295-C316 HydrophobicContact CB-CB 3.76Å; C295-C316 WeakPolarHBondContact CB-SG 3.23Å; C295-C316 WeakPolarHBondContact SG-CB 3.4Å; C295-C316 PolarHBondContact SG-O 3.05Å; C295-C316 CovalentContact SG-SG 2.04Å; C295-C316 PolarHBondContact SG-SG 2.97Å; E312-C316 WeakPolarHBondContact O-CB 3.47Å; E312-C316 PolarHBondContact O-N 3.43Å; K313-C316 PolarHBondContact O-N 2.99Å; I314-C316 VanDerWaalsContact C-N 3.31Å; I314-C316 PolarHBondContact O-N 3.26Å; C316-C320 VanDerWaalsContact O-CB 3.28Å; C316-C320 WeakPolarHBondContact O-CB 3.14Å; C316-C320 PolarHBondContact O-N 3.37Å; C316-C320 VanDerWaalsContact O-N 3.08Å
317	H	74.9	Confident	72.5	Confident	51 Å²	51	72.4 Å²	72.4	24%	0.236	37%	0.368	C	S	.	.	H	α-helix	trans	-67.5	-50.3	177.2	-72.5	64.7	0	0	0	111.5	L291 C295 K313 I314 K315 Y319 C320 Q321	L291-H317 HydrophobicContact CD2-CB 3.95Å; L291-H317 WeakPolarHBondContact CD2-O 3.34Å; C295-H317 WeakPolarHBondContact CB-CE1 3.18Å; C295-H317 WeakPolarHBondContact CB-ND1 3.12Å; K313-H317 PolarHBondContact O-N 2.81Å; K313-H317 VanDerWaalsContact O-N 3.12Å; K313-H317 PolarHBondContact O-ND1 3.16Å; I314-H317 WeakPolarHBondContact O-CA 3.15Å; I314-H317 WeakPolarHBondContact O-CB 3.25Å; I314-H317 PolarHBondContact O-N 3.48Å; K315-H317 VanDerWaalsContact C-N 3.26Å; K315-H317 PolarHBondContact O-N 2.89Å; H317-Y319 PolarHBondContact O-N 3.25Å; H317-C320 PolarHBondContact O-N 3.34Å; H317-Q321 WeakPolarHBondContact O-CB 3.42Å; H317-Q321 PolarHBondContact O-N 3.43Å
318	E	78.2	Confident	72.9	Confident	124 Å²	124	69 Å²	69	58%	0.579	34%	0.338	S	S	*	.	H	α-helix	trans	-57	-49.3	179.1	-68.9	-177.2	159.3	0	0	112.2	I314 K315 A322	I314-E318 HydrophobicContact CG2-CG 4.33Å; I314-E318 PolarHBondContact O-N 3.13Å; K315-E318 PolarHBondContact O-N 2.72Å; E318-A322 VanDerWaalsContact O-CB 3.23Å; E318-A322 WeakPolarHBondContact O-CB 3.39Å; E318-A322 PolarHBondContact O-N 2.84Å
319	Y	77.9	Confident	73.1	Confident	136 Å²	136	66.2 Å²	66.2	53%	0.533	33%	0.328	S	S	.	.	H	α-helix	trans	-65.6	-43.6	179.9	-75.5	-60.8	0	0	0	112.6	K315 H317 R323	K315-Y319 HydrophobicContact CB-CD2 4.2Å; K315-Y319 HydrophobicContact CB-CE2 4.17Å; K315-Y319 WeakPolarHBondContact O-CB 3.43Å; K315-Y319 WeakPolarHBondContact O-CD2 3.26Å; K315-Y319 PolarHBondContact O-N 2.69Å; H317-Y319 PolarHBondContact O-N 3.25Å; Y319-R323 WeakPolarHBondContact O-CB 3.38Å; Y319-R323 PolarHBondContact O-N 2.95Å; Y319-R323 VanDerWaalsContact O-N 3.16Å
320	C	79	Confident	73.1	Confident	0 Å²	0	65.5 Å²	65.5	0%	0	33%	0.332	C	S	.	.	H	α-helix	trans	-71.6	-37.4	-179.5	-172.7	0	0	0	0	111.6	L291 C316 H317 L324 C552	L291-C320 HydrophobicContact CD2-CB 4.06Å; C316-C320 VanDerWaalsContact O-CB 3.28Å; C316-C320 WeakPolarHBondContact O-CB 3.14Å; C316-C320 PolarHBondContact O-N 3.37Å; C316-C320 VanDerWaalsContact O-N 3.08Å; H317-C320 PolarHBondContact O-N 3.34Å; C320-L324 WeakPolarHBondContact O-CB 3.46Å; C320-L324 WeakPolarHBondContact O-CD1 3.34Å; C320-L324 WeakPolarHBondContact O-CG 3.43Å; C320-L324 PolarHBondContact O-N 3.31Å; C320-C552 WeakPolarHBondContact CA-SG 3.48Å; C320-C552 HydrophobicContact CB-CB 4.27Å; C320-C552 WeakPolarHBondContact CB-SG 3.31Å; C320-C552 WeakPolarHBondContact SG-CB 3.41Å; C320-C552 CovalentContact SG-SG 2.05Å; C320-C552 PolarHBondContact SG-SG 2.93Å
321	Q	80.4	Confident	72.9	Confident	89 Å²	89	62 Å²	62	42%	0.416	31%	0.314	S	S	.	.	H	α-helix	trans	-66.1	-51.7	175.4	-177.9	173.9	-22.4	0	0	112.1	I287 L291 H317 R323 L324 N325	I287-Q321 HydrophobicContact CG2-CG 4.18Å; L291-Q321 HydrophobicContact CD1-CB 4.46Å; L291-Q321 HydrophobicContact CD2-CB 4.22Å; H317-Q321 WeakPolarHBondContact O-CB 3.42Å; H317-Q321 PolarHBondContact O-N 3.43Å; Q321-R323 PolarHBondContact O-N 2.82Å; Q321-L324 PolarHBondContact O-N 3.34Å; Q321-L324 VanDerWaalsContact O-N 3.11Å; Q321-N325 PolarHBondContact O-N 2.79Å; Q321-N325 PolarHBondContact O-OD1 3.18Å
322	A	78.5	Confident	72.1	Confident	63 Å²	63	59.8 Å²	59.8	52%	0.521	30%	0.303	S	S	.	.	H	α-helix	trans	-59.3	-37.2	179	0	0	0	0	0	112	E318 L326	E318-A322 VanDerWaalsContact O-CB 3.23Å; E318-A322 WeakPolarHBondContact O-CB 3.39Å; E318-A322 PolarHBondContact O-N 2.84Å; A322-L326 PolarHBondContact O-N 3.34Å
323	R	76.1	Confident	71.1	Confident	55 Å²	55	55.5 Å²	55.5	21%	0.208	29%	0.289	C	S	.	.	H	α-helix	trans	-71.2	-33	177.9	-164.7	172.3	-169.6	114.2	6.5	112.8	Y319 Q321 W547 L548	Y319-R323 WeakPolarHBondContact O-CB 3.38Å; Y319-R323 PolarHBondContact O-N 2.95Å; Y319-R323 VanDerWaalsContact O-N 3.16Å; Q321-R323 PolarHBondContact O-N 2.82Å; R323-W547 HydrophobicContact CG-CE3 4.1Å; R323-W547 HydrophobicContact CG-CH2 3.4Å; R323-W547 HydrophobicContact CG-CZ2 4.21Å; R323-W547 HydrophobicContact CG-CZ3 3.33Å; R323-W547 PolarHBondContact NE-O 3.37Å; R323-W547 PolarHBondContact NH2-O 3.21Å; R323-W547 WeakPolarHBondContact O-CH2 3.38Å; R323-W547 VanDerWaalsContact O-CZ3 3.26Å; R323-W547 WeakPolarHBondContact O-CZ3 3.31Å; R323-L548 HydrophobicContact CB-CD2 4.49Å; R323-L548 HydrophobicContact CG-CD2 4.01Å
324	L	73.6	Confident	69.8	Low	0 Å²	0	58.3 Å²	58.3	0%	0	30%	0.303	C	S	.	.	H	α-helix	trans	-74.1	-43.7	173.4	-77.8	165.2	0	0	0	112.3	I287 L290 C320 Q321 L326 I327 F328 L548	I287-L324 HydrophobicContact CG1-CB 4.04Å; I287-L324 HydrophobicContact CG1-CD1 4.29Å; L290-L324 HydrophobicContact CB-CD1 3.76Å; L290-L324 HydrophobicContact CD1-CD1 3.64Å; L290-L324 HydrophobicContact CD1-CD2 3.54Å; L290-L324 HydrophobicContact CD1-CG 4.25Å; L290-L324 HydrophobicContact CG-CD1 4.35Å; C320-L324 WeakPolarHBondContact O-CB 3.46Å; C320-L324 WeakPolarHBondContact O-CD1 3.34Å; C320-L324 WeakPolarHBondContact O-CG 3.43Å; C320-L324 PolarHBondContact O-N 3.31Å; Q321-L324 PolarHBondContact O-N 3.34Å; Q321-L324 VanDerWaalsContact O-N 3.11Å; L324-L326 VanDerWaalsContact C-N 3.25Å; L324-L326 PolarHBondContact O-N 3.35Å; L324-I327 WeakPolarHBondContact O-CA 3.37Å; L324-I327 WeakPolarHBondContact O-CB 3.43Å; L324-I327 PolarHBondContact O-N 2.91Å; L324-F328 HydrophobicContact CB-CD2 4.46Å; L324-F328 HydrophobicContact CB-CE2 4.16Å; L324-F328 HydrophobicContact CD2-CE2 4.4Å; L324-F328 WeakPolarHBondContact O-CD2 3.39Å; L324-F328 PolarHBondContact O-N 3.47Å; L324-F328 VanDerWaalsContact O-N 3.08Å; L324-L548 HydrophobicContact CD2-CD1 3.75Å; L324-L548 HydrophobicContact CD2-CD2 3.73Å; L324-L548 HydrophobicContact CD2-CG 4.42Å; L324-L548 HydrophobicContact CG-CD2 3.97Å
325	N	74.6	Confident	67.8	Low	61 Å²	61	58 Å²	58	33%	0.326	31%	0.308	S	S	.	.	H	α-helix	trans	-52.8	-45.7	174.4	-72.3	10.7	0	0	0	110.9	I287 Q321 I327 F328 D329	I287-N325 WeakPolarHBondContact CD1-OD1 3.44Å; Q321-N325 PolarHBondContact O-N 2.79Å; Q321-N325 PolarHBondContact O-OD1 3.18Å; N325-I327 VanDerWaalsContact C-N 3.25Å; N325-I327 PolarHBondContact O-N 3.41Å; N325-F328 CarbonylContact O-C 3.58Å; N325-F328 PolarHBondContact O-N 2.83Å; N325-D329 WeakPolarHBondContact O-CB 3.4Å; N325-D329 PolarHBondContact O-N 3.4Å
326	L	74.2	Confident	65.5	Low	98 Å²	98	61.7 Å²	61.7	51%	0.513	33%	0.331	S	S	.	.	H	α-helix	trans	-57.5	-34.2	177.2	-165.6	153.1	0	0	0	113.4	A322 L324 S330 W547	A322-L326 PolarHBondContact O-N 3.34Å; L324-L326 VanDerWaalsContact C-N 3.25Å; L324-L326 PolarHBondContact O-N 3.35Å; L326-S330 WeakPolarHBondContact O-CB 3.05Å; L326-S330 PolarHBondContact O-N 3.41Å; L326-S330 PolarHBondContact O-OG 3.4Å; L326-W547 HydrophobicContact CB-CH2 4.47Å; L326-W547 HydrophobicContact CD2-CH2 3.92Å; L326-W547 HydrophobicContact CD2-CZ2 4.14Å
327	I	69.8	Low	63.3	Low	2 Å²	2	66.2 Å²	66.2	1%	0.01	35%	0.352	C	S	.	.	H	α-helix	trans	-67.2	-52.4	171.2	-67.5	167.9	0	0	0	109.9	L324 N325 D329 S330 L331 Y544 W547 L548	L324-I327 WeakPolarHBondContact O-CA 3.37Å; L324-I327 WeakPolarHBondContact O-CB 3.43Å; L324-I327 PolarHBondContact O-N 2.91Å; N325-I327 VanDerWaalsContact C-N 3.25Å; N325-I327 PolarHBondContact O-N 3.41Å; I327-D329 VanDerWaalsContact C-N 3.33Å; I327-D329 PolarHBondContact O-N 2.82Å; I327-S330 CarbonylContact O-C 3.59Å; I327-S330 PolarHBondContact O-N 2.65Å; I327-S330 PolarHBondContact O-OG 3.05Å; I327-L331 HydrophobicContact CG2-CD1 3.67Å; I327-L331 HydrophobicContact CG2-CG 4.09Å; I327-L331 WeakPolarHBondContact O-CG 3.38Å; I327-L331 PolarHBondContact O-N 3.44Å; I327-Y544 HydrophobicContact CD1-CD1 3.97Å; I327-Y544 HydrophobicContact CD1-CD2 4.37Å; I327-Y544 HydrophobicContact CD1-CG 3.79Å; I327-Y544 HydrophobicContact CG1-CD1 4.15Å; I327-Y544 HydrophobicContact CG1-CE1 4.44Å; I327-Y544 HydrophobicContact CG1-CG 4.33Å; I327-Y544 HydrophobicContact CG2-CD2 4.01Å; I327-Y544 HydrophobicContact CG2-CE2 3.92Å; I327-Y544 HydrophobicContact CG2-CG 4.4Å; I327-W547 HydrophobicContact CD1-CE3 3.82Å; I327-W547 HydrophobicContact CD1-CZ3 3.59Å; I327-W547 HydrophobicContact CG1-CE3 4.11Å; I327-W547 HydrophobicContact CG1-CH2 4.33Å; I327-W547 HydrophobicContact CG1-CZ3 3.57Å; I327-L548 HydrophobicContact CD1-CD1 3.61Å; I327-L548 HydrophobicContact CD1-CD2 3.87Å; I327-L548 HydrophobicContact CD1-CG 3.76Å
328	F	68.1	Low	61	Low	11 Å²	11	67.9 Å²	67.9	5%	0.048	37%	0.368	C	S	.	.	H	α-helix	trans	-62.4	-38.1	-177.5	-64.6	-64.2	0	0	0	112.7	D283 L286 I287 L324 N325 S330 L331 T332 L540	D283-F328 HydrophobicContact CB-CD1 3.69Å; D283-F328 HydrophobicContact CB-CD2 4.21Å; D283-F328 HydrophobicContact CB-CE1 3.58Å; D283-F328 HydrophobicContact CB-CE2 4.11Å; D283-F328 HydrophobicContact CB-CG 4.01Å; D283-F328 HydrophobicContact CB-CZ 3.78Å; D283-F328 WeakPolarHBondContact OD1-CD1 3.39Å; D283-F328 WeakPolarHBondContact OD1-CE1 3.43Å; D283-F328 VanDerWaalsContact OD2-CD1 3.28Å; D283-F328 WeakPolarHBondContact OD2-CD1 3.3Å; L286-F328 HydrophobicContact CB-CZ 4.39Å; L286-F328 HydrophobicContact CD2-CZ 3.93Å; I287-F328 HydrophobicContact CD1-CD2 3.99Å; I287-F328 HydrophobicContact CD1-CE2 3.88Å; I287-F328 HydrophobicContact CG1-CD2 4.28Å; I287-F328 HydrophobicContact CG1-CE2 3.69Å; L324-F328 HydrophobicContact CB-CD2 4.46Å; L324-F328 HydrophobicContact CB-CE2 4.16Å; L324-F328 HydrophobicContact CD2-CE2 4.4Å; L324-F328 WeakPolarHBondContact O-CD2 3.39Å; L324-F328 PolarHBondContact O-N 3.47Å; L324-F328 VanDerWaalsContact O-N 3.08Å; N325-F328 CarbonylContact O-C 3.58Å; N325-F328 PolarHBondContact O-N 2.83Å; F328-S330 VanDerWaalsContact C-N 3.32Å; F328-S330 PolarHBondContact O-N 2.86Å; F328-L331 PolarHBondContact O-N 3.22Å; F328-T332 WeakPolarHBondContact O-CB 3.47Å; F328-T332 VanDerWaalsContact O-CG2 3.29Å; F328-T332 WeakPolarHBondContact O-CG2 3.28Å; F328-T332 PolarHBondContact O-N 2.83Å; F328-T332 PolarHBondContact O-OG1 3.35Å; F328-L540 HydrophobicContact CE1-CD1 3.9Å
329	D	66.6	Low	58.8	Low	90 Å²	90	66.7 Å²	66.7	48%	0.481	37%	0.373	S	S	.	.	H	α-helix	trans	-62	-38.2	172.8	-64.1	-30.9	0	0	0	111.8	N325 I327 T332 G333	N325-D329 WeakPolarHBondContact O-CB 3.4Å; N325-D329 PolarHBondContact O-N 3.4Å; I327-D329 VanDerWaalsContact C-N 3.33Å; I327-D329 PolarHBondContact O-N 2.82Å; D329-T332 PolarHBondContact O-OG1 3.36Å; D329-G333 PolarHBondContact O-N 3.06Å
330	S	61.1	Low	56.5	Low	63 Å²	63	67.7 Å²	67.7	44%	0.441	39%	0.387	S	S	.	.	H	α-helix	trans	-73.5	-32	176.3	77.1	0	0	0	0	113.5	L326 I327 F328	L326-S330 WeakPolarHBondContact O-CB 3.05Å; L326-S330 PolarHBondContact O-N 3.41Å; L326-S330 PolarHBondContact O-OG 3.4Å; I327-S330 CarbonylContact O-C 3.59Å; I327-S330 PolarHBondContact O-N 2.65Å; I327-S330 PolarHBondContact O-OG 3.05Å; F328-S330 VanDerWaalsContact C-N 3.32Å; F328-S330 PolarHBondContact O-N 2.86Å
331	L	59.1	Low	54.3	Low	20 Å²	20	69.8 Å²	69.8	11%	0.105	40%	0.399	C	S	.	.	H	α-helix	trans	-78.9	-36.3	177.1	-68.5	178	0	0	0	112.4	I327 F328 Y414 L540	I327-L331 HydrophobicContact CG2-CD1 3.67Å; I327-L331 HydrophobicContact CG2-CG 4.09Å; I327-L331 WeakPolarHBondContact O-CG 3.38Å; I327-L331 PolarHBondContact O-N 3.44Å; F328-L331 PolarHBondContact O-N 3.22Å; L331-Y414 HydrophobicContact CD2-CD1 4.29Å; L331-Y414 HydrophobicContact CD2-CG 4.05Å; L331-L540 HydrophobicContact CD1-CD1 3.9Å; L331-L540 HydrophobicContact CD1-CG 4.48Å
332	T	55.4	Low	52	Low	29 Å²	29	75.8 Å²	75.8	18%	0.178	42%	0.418	C	S	.	.	H	α-helix	trans	-80.3	-17.3	176.5	57.6	0	0	0	0	112.7	F328 D329 H334 R415	F328-T332 WeakPolarHBondContact O-CB 3.47Å; F328-T332 VanDerWaalsContact O-CG2 3.29Å; F328-T332 WeakPolarHBondContact O-CG2 3.28Å; F328-T332 PolarHBondContact O-N 2.83Å; F328-T332 PolarHBondContact O-OG1 3.35Å; D329-T332 PolarHBondContact O-OG1 3.36Å; T332-H334 PolarHBondContact O-N 3.18Å; T332-R415 PolarHBondContact O-NH1 3.05Å; T332-R415 PolarHBondContact O-NH2 3.43Å
333	G	49.2	Very low	49.9	Very low	25 Å²	25	82.1 Å²	82.1	26%	0.258	43%	0.434	S	S	.	.	T	Hydrogen-bonded Turn	trans	62.4	43.3	167.4	0	0	0	0	0	113.6	D329	D329-G333 PolarHBondContact O-N 3.06Å
334	H	40.8	Very low	48.2	Very low	132 Å²	132	81.5 Å²	81.5	61%	0.611	44%	0.438	S	S	*	.			trans	-95.5	8.4	173	-77	-67.9	0	0	0	113.4	T332	T332-H334 PolarHBondContact O-N 3.18Å
335	S	32.5	Very low	46.3	Very low	73 Å²	73	88.2 Å²	88.2	51%	0.51	46%	0.463	S	S	.	.			trans	-118.2	91.4	-176.8	43.9	0	0	0	0	112.7	L337	S335-L337 PolarHBondContact O-N 2.75Å
336	D	28.4	Very low	44.5	Very low	140 Å²	140	90.3 Å²	90.3	75%	0.749	47%	0.474	S	S	*	.			trans	-70	67.9	162.3	-75.9	-48.3	0	0	0	110.2
337	L	30.8	Very low	42.7	Very low	129 Å²	129	91.2 Å²	91.2	68%	0.675	48%	0.479	S	S	*	.			trans	-131.9	112.6	-175.3	-138.8	79.6	0	0	0	113.3	S335 S339	S335-L337 PolarHBondContact O-N 2.75Å; L337-S339 PolarHBondContact O-N 3.36Å
338	P	27.5	Very low	41	Very low	86 Å²	86	97.5 Å²	97.5	56%	0.558	51%	0.507	S	S	*	.	G	3₁₀ helix	trans	-68.5	16	-178.6	-23.3	34.7	0	0	0	117.1	L340 T341	P338-L340 VanDerWaalsContact C-N 3.34Å; P338-L340 PolarHBondContact O-N 3Å; P338-T341 WeakPolarHBondContact O-CB 3.49Å; P338-T341 PolarHBondContact O-N 2.94Å; P338-T341 PolarHBondContact O-OG1 3.39Å
339	S	31.3	Very low	39.7	Very low	99 Å²	99	101.3 Å²	101.3	69%	0.692	53%	0.531	S	S	*	.	G	3₁₀ helix	trans	-65.5	-25.3	-162.2	57.3	0	0	0	0	115.4	L337 T341	L337-S339 PolarHBondContact O-N 3.36Å; S339-T341 PolarHBondContact O-N 2.87Å
340	L	30.6	Very low	38.2	Very low	156 Å²	156	102.7 Å²	102.7	82%	0.817	54%	0.538	S	S	*	.	G	3₁₀ helix	trans	-79.1	12.3	172.9	-76.8	172.7	0	0	0	114.2	P338 S344	P338-L340 VanDerWaalsContact C-N 3.34Å; P338-L340 PolarHBondContact O-N 3Å; L340-S344 PolarHBondContact O-OG 3.41Å
341	T	31.7	Very low	37.1	Very low	44 Å²	44	105.3 Å²	105.3	27%	0.27	55%	0.547	S	S	.	.			trans	-123.3	77.3	-169.8	69	0	0	0	0	117	P338 S339 S344 R345	P338-T341 WeakPolarHBondContact O-CB 3.49Å; P338-T341 PolarHBondContact O-N 2.94Å; P338-T341 PolarHBondContact O-OG1 3.39Å; S339-T341 PolarHBondContact O-N 2.87Å; T341-S344 WeakPolarHBondContact CA-OG 3.37Å; T341-R345 HydrophobicContact CG2-CG 4.21Å; T341-R345 PolarHBondContact OG1-NE 2.96Å; T341-R345 PolarHBondContact OG1-NH1 2.88Å; T341-R345 VanDerWaalsContact OG1-NH1 3.09Å
342	R	32.5	Very low	36	Very low	216 Å²	216	113 Å²	113	82%	0.815	58%	0.58	S	S	*	*	S	Bend	trans	-137.3	-35.4	149.9	-153.1	168.7	-173.9	165.2	2.6	114.5	N346	R342-N346 PolarHBondContact O-OD1 3.19Å
343	K	34.3	Very low	35.1	Very low	196 Å²	196	117.5 Å²	117.5	85%	0.852	61%	0.607	S	S	*	*	H	α-helix	trans	-78.2	-32.5	170.6	-95.3	-177.9	173.2	178.5	0	113.7
344	S	40.5	Very low	34.3	Very low	41 Å²	41	123 Å²	123	29%	0.287	63%	0.63	S	S	.	*	H	α-helix	trans	-73.1	-53.4	179.4	51.1	0	0	0	0	112.6	L340 T341 N346 L347 F348	L340-S344 PolarHBondContact O-OG 3.41Å; T341-S344 WeakPolarHBondContact CA-OG 3.37Å; S344-N346 VanDerWaalsContact C-N 3.26Å; S344-N346 PolarHBondContact O-N 3.49Å; S344-L347 WeakPolarHBondContact O-CB 3.32Å; S344-L347 PolarHBondContact O-N 2.83Å; S344-F348 WeakPolarHBondContact O-CD2 3.39Å; S344-F348 PolarHBondContact O-N 2.79Å
345	R	32.9	Very low	33.8	Very low	141 Å²	141	127 Å²	127	53%	0.532	64%	0.64	S	S	.	*	H	α-helix	trans	-54.7	-38.5	-179.4	-79.5	179.1	-178.2	161.6	-1.9	113	T341 L347 F348 V349	T341-R345 HydrophobicContact CG2-CG 4.21Å; T341-R345 PolarHBondContact OG1-NE 2.96Å; T341-R345 PolarHBondContact OG1-NH1 2.88Å; T341-R345 VanDerWaalsContact OG1-NH1 3.09Å; R345-L347 VanDerWaalsContact C-N 3.27Å; R345-L347 PolarHBondContact O-N 3.45Å; R345-F348 PolarHBondContact O-N 2.99Å; R345-F348 VanDerWaalsContact O-N 3.07Å; R345-V349 WeakPolarHBondContact O-CG2 3.34Å; R345-V349 PolarHBondContact O-N 3.22Å
346	N	36.3	Very low	33.7	Very low	105 Å²	105	132.6 Å²	132.6	56%	0.561	66%	0.658	S	S	*	*	H	α-helix	trans	-66.2	-23.8	178.1	-70.2	17	0	0	0	113.9	R342 S344	R342-N346 PolarHBondContact O-OD1 3.19Å; S344-N346 VanDerWaalsContact C-N 3.26Å; S344-N346 PolarHBondContact O-N 3.49Å
347	L	37.7	Very low	33.9	Very low	117 Å²	117	131.3 Å²	131.3	61%	0.613	66%	0.66	S	S	*	*	H	α-helix	trans	-80.7	-27.2	172.1	-72.9	164.2	0	0	0	112.6	S344 R345 N351	S344-L347 WeakPolarHBondContact O-CB 3.32Å; S344-L347 PolarHBondContact O-N 2.83Å; R345-L347 VanDerWaalsContact C-N 3.27Å; R345-L347 PolarHBondContact O-N 3.45Å; L347-N351 PolarHBondContact O-ND2 2.79Å
348	F	34.4	Very low	33.9	Very low	134 Å²	134	132.7 Å²	132.7	59%	0.588	67%	0.667	S	S	*	*	H	α-helix	trans	-84.7	-33.7	178.8	-80.8	-75.8	0	0	0	113.8	S344 R345 K352	S344-F348 WeakPolarHBondContact O-CD2 3.39Å; S344-F348 PolarHBondContact O-N 2.79Å; R345-F348 PolarHBondContact O-N 2.99Å; R345-F348 VanDerWaalsContact O-N 3.07Å; F348-K352 PolarHBondContact O-N 2.9Å
349	V	39.7	Very low	34.1	Very low	92 Å²	92	136.6 Å²	136.6	56%	0.558	68%	0.682	S	S	*	*	H	α-helix	trans	-71.5	-51.9	177.6	175.8	0	0	0	0	110.9	R345 N351 K352	R345-V349 WeakPolarHBondContact O-CG2 3.34Å; R345-V349 PolarHBondContact O-N 3.22Å; V349-N351 PolarHBondContact O-N 2.73Å; V349-N351 VanDerWaalsContact O-N 3.16Å; V349-K352 PolarHBondContact O-N 3.49Å; V349-K352 VanDerWaalsContact O-N 3.12Å
350	N	35.6	Very low	34.2	Very low	118 Å²	118	136.9 Å²	136.9	63%	0.631	68%	0.682	S	S	*	*	H	α-helix	trans	-65.2	-22.4	-175.8	-74.3	-1.1	0	0	0	114.2
351	N	37.3	Very low	34.3	Very low	118 Å²	118	136.9 Å²	136.9	63%	0.631	68%	0.682	S	S	*	*	H	α-helix	trans	-90.5	-15.2	176.9	-77.4	-49.2	0	0	0	114.2	L347 V349	L347-N351 PolarHBondContact O-ND2 2.79Å; V349-N351 PolarHBondContact O-N 2.73Å; V349-N351 VanDerWaalsContact O-N 3.16Å
352	K	36.3	Very low	34.4	Very low	183 Å²	183	139.6 Å²	139.6	80%	0.796	70%	0.7	S	S	*	*	H	α-helix	trans	-83.3	-19	-178.6	-120.5	177.7	178.6	-178.5	0	114.2	F348 V349	F348-K352 PolarHBondContact O-N 2.9Å; V349-K352 PolarHBondContact O-N 3.49Å; V349-K352 VanDerWaalsContact O-N 3.12Å
353	V	37.3	Very low	34.4	Very low	123 Å²	123	136.2 Å²	136.2	75%	0.745	70%	0.698	S	S	*	*	T	Hydrogen-bonded Turn	trans	-76.6	-20.7	-178.2	-179	0	0	0	0	112.9
354	N	32.6	Very low	34.5	Very low	140 Å²	140	132.3 Å²	132.3	75%	0.749	69%	0.687	S	S	*	*	T	Hydrogen-bonded Turn	trans	-101.4	4.1	-169.6	-90.8	-34.6	0	0	0	116.2
355	R	30.2	Very low	34.2	Very low	216 Å²	216	139.6 Å²	139.6	82%	0.815	71%	0.708	S	S	*	*	S	Bend	trans	-148.5	71.7	-177.6	-68.8	-169.9	178.8	174.6	1.2	114.7
356	H	30.7	Very low	34.3	Very low	190 Å²	190	139.1 Å²	139.1	88%	0.88	72%	0.716	S	S	*	*			trans	-167.6	146.9	143.6	-87.1	-51.4	0	0	0	110.1
357	S	31.6	Very low	34.4	Very low	113 Å²	113	142.5 Å²	142.5	79%	0.79	73%	0.728	S	S	*	*			trans	66.3	144.8	-171.9	81.8	0	0	0	0	114.6
358	L	30.5	Very low	34.3	Very low	158 Å²	158	142.4 Å²	142.4	83%	0.827	73%	0.734	S	S	*	*			cis	-121.8	163.8	-2.9	-76.2	88.5	0	0	0	112
359	L	32.1	Very low	34.3	Very low	168 Å²	168	143.9 Å²	143.9	88%	0.88	75%	0.745	S	S	*	*			trans	-88.7	168.3	162.4	-102.5	80.5	0	0	0	111.3
360	P	33	Very low	34.2	Very low	105 Å²	105	146.8 Å²	146.8	68%	0.682	75%	0.75	S	S	*	*			trans	-110.2	-175.6	-145.8	41.1	-37.8	0	0	0	117.9
361	L	32.5	Very low	34.3	Very low	157 Å²	157	147.5 Å²	147.5	82%	0.822	75%	0.754	S	S	*	*			trans	92.9	145.3	173.9	-78.5	72.6	0	0	0	116.9
362	P	34.7	Very low	34.3	Very low	100 Å²	100	148.3 Å²	148.3	65%	0.649	75%	0.754	S	S	*	*			cis	-141.9	-177	-43.4	39.6	-21.8	0	0	0	115
363	N	33	Very low	34.3	Very low	145 Å²	145	146.2 Å²	146.2	78%	0.775	75%	0.747	S	S	*	*			trans	100.3	127.5	157.6	-66.7	-0.6	0	0	0	122.3
364	D	35.1	Very low	34.2	Very low	114 Å²	114	146.3 Å²	146.3	61%	0.61	73%	0.734	S	S	*	*			trans	60.8	103.9	144.8	-75.5	-25.2	0	0	0	125.2
365	R	35.1	Very low	34.4	Very low	195 Å²	195	148.4 Å²	148.4	74%	0.736	73%	0.731	S	S	*	*				75	119	120.2	-68.4	176.4	-144.9	-151.9	7	123.3
366	N	35.4	Very low	34.7	Very low	130 Å²	130	145.3 Å²	145.3	70%	0.695	73%	0.729	S	S	*	*			trans	67.2	137.5	132.1	-51.5	-2.2	0	0	0	118.2
367	H	36.7	Very low	35	Very low	177 Å²	177	140.4 Å²	140.4	82%	0.819	72%	0.716	S	S	*	*			cis	-157.9	167.8	24	-106	-64.4	0	0	0	112
368	P	37.2	Very low	35.2	Very low	114 Å²	114	144.5 Å²	144.5	74%	0.74	72%	0.72	S	S	*	*			trans	-122.1	163.6	178	41.3	-30.5	0	0	0	117.1
369	M	34.8	Very low	35.4	Very low	166 Å²	166	141 Å²	141	82%	0.818	72%	0.722	S	S	*	*			trans	-160.2	128.3	166.7	-94.7	-154.5	172.8	0	0	110.7
370	K	35.9	Very low	35.5	Very low	153 Å²	153	145 Å²	145	67%	0.665	73%	0.725	S	S	*	*				98.8	148.3	81.4	-85	-176.3	152	-81.8	0	114.1
371	D	37.6	Very low	35.4	Very low	132 Å²	132	146.3 Å²	146.3	71%	0.706	73%	0.731	S	S	*	*			cis	-142.2	-116.8	8.5	-118.5	-25.4	0	0	0	115.7
372	E	37.9	Very low	35.5	Very low	135 Å²	135	146 Å²	146	63%	0.631	74%	0.736	S	S	*	*			trans	-148.3	142.6	-166.9	169	176.7	-153.3	0	0	113.2	R374	E372-R374 VanDerWaalsContact CD-NE 3.35Å; E372-R374 VanDerWaalsContact CD-NH2 3.28Å; E372-R374 HydrophobicContact CG-CG 4.41Å; E372-R374 WeakPolarHBondContact OE1-CG 3.17Å; E372-R374 IonicContact OE1-CZ 3.41Å; E372-R374 IonicContact OE1-NE 2.74Å; E372-R374 PolarHBondContact OE1-NE 3.05Å; E372-R374 IonicContact OE1-NH2 3.26Å; E372-R374 PolarHBondContact OE1-NH2 3.36Å; E372-R374 IonicContact OE2-CZ 3.51Å; E372-R374 IonicContact OE2-NE 3.63Å; E372-R374 IonicContact OE2-NH2 2.73Å; E372-R374 PolarHBondContact OE2-NH2 3.13Å
373	E	36.2	Very low	35.5	Very low	139 Å²	139	150.5 Å²	150.5	65%	0.65	75%	0.745	S	S	*	*				-170.3	127.6	103.5	-103.3	-136.5	-175.6	0	0	116.7
374	R	36.4	Very low	35.6	Very low	126 Å²	126	148.6 Å²	148.6	48%	0.475	74%	0.743	S	S	.	*				52.8	160.8	110.4	-59.8	-173.9	-158.1	153.2	3.6	121.2	E372	E372-R374 VanDerWaalsContact CD-NE 3.35Å; E372-R374 VanDerWaalsContact CD-NH2 3.28Å; E372-R374 HydrophobicContact CG-CG 4.41Å; E372-R374 WeakPolarHBondContact OE1-CG 3.17Å; E372-R374 IonicContact OE1-CZ 3.41Å; E372-R374 IonicContact OE1-NE 2.74Å; E372-R374 PolarHBondContact OE1-NE 3.05Å; E372-R374 IonicContact OE1-NH2 3.26Å; E372-R374 PolarHBondContact OE1-NH2 3.36Å; E372-R374 IonicContact OE2-CZ 3.51Å; E372-R374 IonicContact OE2-NE 3.63Å; E372-R374 IonicContact OE2-NH2 2.73Å; E372-R374 PolarHBondContact OE2-NH2 3.13Å
375	R	36.3	Very low	35.6	Very low	184 Å²	184	147.9 Å²	147.9	69%	0.694	75%	0.748	S	S	*	*			cis	-170.8	176.7	2.1	-124	172.7	-169.9	159.8	8	113.4
376	I	36.3	Very low	35.6	Very low	150 Å²	150	145.4 Å²	145.4	77%	0.769	75%	0.749	S	S	*	*			trans	73.6	150.4	150.6	-73.6	158.4	0	0	0	117.1
377	S	37.3	Very low	35.7	Very low	87 Å²	87	145.9 Å²	145.9	61%	0.608	75%	0.751	S	S	*	*			cis	-178	170.6	-20.8	-81.7	0	0	0	0	108.4
378	K	36.3	Very low	35.6	Very low	200 Å²	200	143.9 Å²	143.9	87%	0.87	75%	0.745	S	S	*	*			cis	-171.9	150.6	-21.2	-98.5	173.2	176.9	179.6	0	109.5
379	G	33.8	Very low	35.5	Very low	84 Å²	84	144.7 Å²	144.7	87%	0.866	74%	0.743	S	S	*	*			trans	96.3	156.5	163.1	0	0	0	0	0	116.2
380	R	34.2	Very low	35.6	Very low	252 Å²	252	143.1 Å²	143.1	95%	0.951	74%	0.738	S	S	*	*			cis	-150.7	158.5	11.8	-169	176.8	-170.7	160.6	1.5	110.9
381	T	29.9	Very low	35.6	Very low	132 Å²	132	142.2 Å²	142.2	81%	0.81	74%	0.741	S	S	*	*			trans	-128.2	150.2	-170.7	52.3	0	0	0	0	114.7
382	V	35.7	Very low	35.5	Very low	152 Å²	152	142.1 Å²	142.1	92%	0.921	74%	0.739	S	S	*	*			trans	-127.4	-166.6	168.5	-165.4	0	0	0	0	109.3
383	K	33.7	Very low	35.4	Very low	193 Å²	193	142.7 Å²	142.7	84%	0.839	75%	0.746	S	S	*	*			trans	-156.8	160.6	-157.7	-157.8	-177.2	-173.9	-177.4	0	113.9
384	S	35.5	Very low	35.1	Very low	105 Å²	105	141.8 Å²	141.8	73%	0.734	75%	0.75	S	S	*	*			trans	73.9	147	162.3	-80.8	0	0	0	0	117.9
385	S	35.5	Very low	35	Very low	100 Å²	100	143.7 Å²	143.7	70%	0.699	76%	0.764	S	S	*	*			cis	-155.4	174.1	-7.9	-147.7	0	0	0	0	112.5
386	N	36	Very low	35	Very low	143 Å²	143	140.4 Å²	140.4	77%	0.765	76%	0.76	S	S	*	*			trans	-44.7	163.2	176.9	-48.7	-14.5	0	0	0	114.7
387	N	35.8	Very low	34.9	Very low	139 Å²	139	140.8 Å²	140.8	74%	0.743	76%	0.764	S	S	*	*			cis	-169.2	175.1	39.1	-158.4	8.3	0	0	0	114.4
388	I	35.4	Very low	35	Very low	135 Å²	135	142.5 Å²	142.5	69%	0.692	77%	0.766	S	S	*	*			trans	85.3	97	164.6	-51.7	171.4	0	0	0	118.1
389	N	35	Very low	35.4	Very low	132 Å²	132	138.9 Å²	138.9	71%	0.706	76%	0.757	S	S	*	*				32.5	130.4	128.3	-55	3.3	0	0	0	119.5
390	N	36.7	Very low	35.7	Very low	133 Å²	133	140.6 Å²	140.6	71%	0.711	75%	0.746	S	S	*	*				-171.2	149.4	54.9	-103.3	-34.6	0	0	0	112.8
391	N	36.4	Very low	36	Very low	134 Å²	134	134.8 Å²	134.8	72%	0.717	73%	0.733	S	S	*	*			trans	52	145.6	139.3	-69.3	-1.1	0	0	0	123.3
392	I	35.2	Very low	36.5	Very low	130 Å²	130	133.6 Å²	133.6	67%	0.667	72%	0.721	S	S	*	*			cis	-166.8	156.4	-19.8	-138.9	169.6	0	0	0	111.4
393	N	35.6	Very low	36.8	Very low	146 Å²	146	133.1 Å²	133.1	78%	0.781	71%	0.709	S	S	*	*			trans	68	152.4	159.9	-68.1	-2.4	0	0	0	123.4
394	T	30.8	Very low	37	Very low	120 Å²	120	129.4 Å²	129.4	74%	0.736	70%	0.697	S	S	*	*			trans	-119	159.2	-178	49.5	0	0	0	0	111.3
395	H	33.3	Very low	37	Very low	166 Å²	166	129.2 Å²	129.2	77%	0.769	69%	0.688	S	S	*	*				-179	148.7	129.5	-105.7	-74	0	0	0	115.3
396	N	36.5	Very low	37.3	Very low	115 Å²	115	129.2 Å²	129.2	62%	0.615	68%	0.68	S	S	*	*			trans	64.5	119.5	154.2	-59.8	-1.6	0	0	0	121.8
397	N	33.7	Very low	37.6	Very low	158 Å²	158	127 Å²	127	85%	0.845	67%	0.672	S	S	*	*			trans	-112.7	101	162.2	-75.5	-3.6	0	0	0	109.7
398	D	40.8	Very low	37.8	Very low	123 Å²	123	127.5 Å²	127.5	66%	0.658	67%	0.673	S	S	*	*			trans	-128.3	4.1	174.1	-80.1	-62.1	0	0	0	113.2
399	N	43.9	Very low	38.1	Very low	124 Å²	124	125.2 Å²	125.2	66%	0.663	66%	0.661	S	S	*	*			trans	-80.9	-29	-165.4	-68.7	-31.9	0	0	0	114.9	I401 N402	N399-I401 VanDerWaalsContact C-N 3.3Å; N399-I401 PolarHBondContact O-N 2.94Å; N399-N402 PolarHBondContact O-N 3.05Å
400	D	40.2	Very low	38.8	Very low	121 Å²	121	122 Å²	122	65%	0.647	64%	0.642	S	S	*	*	H	α-helix	trans	-67.5	-26	-164.4	-60.6	-11.1	0	0	0	114
401	I	41.1	Very low	39.2	Very low	130 Å²	130	118.9 Å²	118.9	67%	0.667	64%	0.635	S	S	*	*	H	α-helix	trans	-77.1	-35.6	-178.4	-62.4	177.9	0	0	0	111.5	N399 Q403	N399-I401 VanDerWaalsContact C-N 3.3Å; N399-I401 PolarHBondContact O-N 2.94Å; I401-Q403 VanDerWaalsContact C-N 3.35Å
402	N	39.5	Very low	39.7	Very low	107 Å²	107	120.2 Å²	120.2	57%	0.572	64%	0.637	S	S	*	*	H	α-helix	trans	-74.3	-27	-177.7	-69.4	-38.8	0	0	0	112.5	N399 I404	N399-N402 PolarHBondContact O-N 3.05Å; N402-I404 VanDerWaalsContact C-N 3.33Å; N402-I404 PolarHBondContact O-N 3.45Å
403	Q	41.4	Very low	40.2	Very low	142 Å²	142	119.6 Å²	119.6	66%	0.664	63%	0.631	S	S	*	*	H	α-helix	trans	-70.3	-29.1	-177.8	-154.2	169.1	50	0	0	112.8	I401	I401-Q403 VanDerWaalsContact C-N 3.35Å
404	I	37.5	Very low	40.9	Very low	114 Å²	114	113.4 Å²	113.4	59%	0.585	60%	0.597	S	S	*	*	H	α-helix	trans	-72.9	-34.8	-178	-62	173.1	0	0	0	112	N402	N402-I404 VanDerWaalsContact C-N 3.33Å; N402-I404 PolarHBondContact O-N 3.45Å
405	N	37.6	Very low	41.8	Very low	102 Å²	102	112.3 Å²	112.3	55%	0.545	58%	0.579	S	S	.	*	H	α-helix	trans	-75.3	-26.9	-176.8	-72.2	-27.2	0	0	0	113.4	I409	N405-I409 VanDerWaalsContact O-CD1 3.27Å; N405-I409 WeakPolarHBondContact O-CD1 3.33Å; N405-I409 WeakPolarHBondContact O-CG1 3.37Å
406	N	40.1	Very low	42.5	Very low	100 Å²	100	107.5 Å²	107.5	54%	0.535	56%	0.558	S	S	.	*	H	α-helix	trans	-74.6	-44.3	-178.8	-69.4	-6.9	0	0	0	112.3	L408 I409	N406-L408 VanDerWaalsContact C-N 3.25Å; N406-L408 PolarHBondContact O-N 3.4Å; N406-I409 WeakPolarHBondContact O-CB 2.71Å; N406-I409 PolarHBondContact O-N 3.15Å
407	V	42	Very low	43	Very low	97 Å²	97	104.9 Å²	104.9	59%	0.588	54%	0.543	S	S	*	.	H	α-helix	trans	-63.3	-28.2	-172.6	177.3	0	0	0	0	113.1	I409	V407-I409 VanDerWaalsContact C-N 3.25Å; V407-I409 PolarHBondContact O-N 2.93Å
408	L	40.3	Very low	44	Very low	149 Å²	149	98.5 Å²	98.5	78%	0.78	51%	0.508	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79.3	-6.4	178.8	-159.6	65.2	0	0	0	113.5	N406	N406-L408 VanDerWaalsContact C-N 3.25Å; N406-L408 PolarHBondContact O-N 3.4Å
409	I	41.8	Very low	45	Very low	86 Å²	86	96.4 Å²	96.4	44%	0.441	49%	0.49	S	S	.	.	T	Hydrogen-bonded Turn	trans	-99.1	-8.5	-178	-61.9	175.6	0	0	0	111.1	N405 N406 V407 A411 Q413	N405-I409 VanDerWaalsContact O-CD1 3.27Å; N405-I409 WeakPolarHBondContact O-CD1 3.33Å; N405-I409 WeakPolarHBondContact O-CG1 3.37Å; N406-I409 WeakPolarHBondContact O-CB 2.71Å; N406-I409 PolarHBondContact O-N 3.15Å; V407-I409 VanDerWaalsContact C-N 3.25Å; V407-I409 PolarHBondContact O-N 2.93Å; I409-A411 PolarHBondContact O-N 3.45Å; I409-Q413 VanDerWaalsContact CG2-CD 3.43Å; I409-Q413 HydrophobicContact CG2-CG 4.27Å
410	E	49.7	Very low	46	Very low	66 Å²	66	91.9 Å²	91.9	31%	0.308	47%	0.468	S	S	.	.	T	Hydrogen-bonded Turn	trans	-97	8.9	-145.8	-142.7	158.9	-135.5	0	0	116	Y414 T543	E410-Y414 HydrophobicContact CG-CE2 3.99Å; E410-Y414 WeakPolarHBondContact O-CD2 3.22Å; E410-Y414 VanDerWaalsContact O-CE2 3.32Å; E410-Y414 WeakPolarHBondContact O-CE2 3.37Å; E410-T543 HydrophobicContact CG-CG2 3.99Å
411	A	45.8	Very low	47.4	Very low	66 Å²	66	86.4 Å²	86.4	55%	0.545	44%	0.438	S	S	.	.	T	Hydrogen-bonded Turn	trans	-120	-62.4	179.9	0	0	0	0	0	113.2	I409 Q413 Y414	I409-A411 PolarHBondContact O-N 3.45Å; A411-Q413 PolarHBondContact O-N 3.27Å; A411-Q413 VanDerWaalsContact O-N 3.16Å; A411-Y414 PolarHBondContact O-N 3.1Å
412	E	46.8	Very low	48.8	Very low	163 Å²	163	80.6 Å²	80.6	76%	0.762	41%	0.409	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.6	-29.5	-176.4	-63.1	-172.6	150.3	0	0	113	M416	E412-M416 WeakPolarHBondContact O-CG 3.38Å
413	Q	46.8	Very low	50.2	Low	116 Å²	116	76.9 Å²	76.9	54%	0.542	39%	0.39	S	S	.	.	T	Hydrogen-bonded Turn	trans	-73.8	-23.5	177.6	-63.2	-164.3	-1.5	0	0	113.7	I409 A411 M416 L417	I409-Q413 VanDerWaalsContact CG2-CD 3.43Å; I409-Q413 HydrophobicContact CG2-CG 4.27Å; A411-Q413 PolarHBondContact O-N 3.27Å; A411-Q413 VanDerWaalsContact O-N 3.16Å; Q413-M416 CarbonylContact O-C 3.56Å; Q413-M416 WeakPolarHBondContact O-CA 3.18Å; Q413-M416 WeakPolarHBondContact O-CB 3.1Å; Q413-M416 PolarHBondContact O-N 3.47Å; Q413-M416 VanDerWaalsContact O-N 3.08Å; Q413-L417 PolarHBondContact O-N 3.2Å
414	Y	50.1	Low	51.6	Low	16 Å²	16	71.2 Å²	71.2	6%	0.063	36%	0.363	C	S	.	.	T	Hydrogen-bonded Turn	trans	-75.1	-35	-179.7	-73.4	-106.4	0	0	0	111.3	L331 E410 A411 M416 L417 Q539 T543	L331-Y414 HydrophobicContact CD2-CD1 4.29Å; L331-Y414 HydrophobicContact CD2-CG 4.05Å; E410-Y414 HydrophobicContact CG-CE2 3.99Å; E410-Y414 WeakPolarHBondContact O-CD2 3.22Å; E410-Y414 VanDerWaalsContact O-CE2 3.32Å; E410-Y414 WeakPolarHBondContact O-CE2 3.37Å; A411-Y414 PolarHBondContact O-N 3.1Å; Y414-M416 PolarHBondContact O-N 2.87Å; Y414-L417 HydrophobicContact CD1-CD1 4.27Å; Y414-L417 HydrophobicContact CG-CD1 4.43Å; Y414-L417 PolarHBondContact O-N 3.48Å; Y414-Q539 HydrophobicContact CE1-CG 3.98Å; Y414-Q539 PolarHBondContact OH-NE2 3.13Å; Y414-Q539 VanDerWaalsContact OH-NE2 3.16Å; Y414-T543 WeakPolarHBondContact OH-CG2 3.24Å; Y414-T543 PolarHBondContact OH-OG1 3.43Å
415	R	49.7	Very low	53.5	Low	97 Å²	97	65.8 Å²	65.8	37%	0.366	34%	0.335	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63	-18.4	166	-78.7	-177.8	121.8	135.1	6.4	113.7	T332	T332-R415 PolarHBondContact O-NH1 3.05Å; T332-R415 PolarHBondContact O-NH2 3.43Å
416	M	47.8	Very low	55.2	Low	66 Å²	66	61.1 Å²	61.1	33%	0.325	31%	0.31	S	S	.	.	T	Hydrogen-bonded Turn	trans	-97.3	-7.9	179.3	-54.3	-101	-163.1	0	0	113.6	E412 Q413 Y414 Y418 Y754 L758	E412-M416 WeakPolarHBondContact O-CG 3.38Å; Q413-M416 CarbonylContact O-C 3.56Å; Q413-M416 WeakPolarHBondContact O-CA 3.18Å; Q413-M416 WeakPolarHBondContact O-CB 3.1Å; Q413-M416 PolarHBondContact O-N 3.47Å; Q413-M416 VanDerWaalsContact O-N 3.08Å; Y414-M416 PolarHBondContact O-N 2.87Å; M416-Y418 PolarHBondContact O-N 3.32Å; M416-Y754 HydrophobicContact CE-CE1 4.03Å; M416-L758 HydrophobicContact CE-CD1 3.7Å; M416-L758 HydrophobicContact SD-CD1 3.53Å; M416-L758 VanDerWaalsContact SD-CD1 3.53Å
417	L	46.2	Very low	56.8	Low	59 Å²	59	60.1 Å²	60.1	31%	0.309	30%	0.299	S	S	.	.	S	Bend	trans	-72.7	-19.8	177.7	-99.8	140.7	0	0	0	112.7	Q413 Y414 Y536 Q539	Q413-L417 PolarHBondContact O-N 3.2Å; Y414-L417 HydrophobicContact CD1-CD1 4.27Å; Y414-L417 HydrophobicContact CG-CD1 4.43Å; Y414-L417 PolarHBondContact O-N 3.48Å; L417-Y536 HydrophobicContact CB-CD2 4.22Å; L417-Q539 HydrophobicContact CD1-CB 4.48Å; L417-Q539 HydrophobicContact CD1-CG 3.88Å; L417-Q539 HydrophobicContact CD2-CB 4.49Å
418	Y	55.5	Low	58.6	Low	24 Å²	24	55.5 Å²	55.5	9%	0.094	27%	0.271	C	S	.	.	S	Bend	trans	-80.2	125.8	158.8	-73.2	-85.9	0	0	0	109.8	M279 M416 P420 F529 Y536	M279-Y418 HydrophobicContact CE-CD1 3.69Å; M279-Y418 HydrophobicContact CE-CD2 3.95Å; M279-Y418 HydrophobicContact CE-CE1 3.43Å; M279-Y418 VanDerWaalsContact CE-CE1 3.43Å; M279-Y418 HydrophobicContact CE-CE2 3.72Å; M279-Y418 HydrophobicContact CE-CG 3.93Å; M279-Y418 VanDerWaalsContact CE-CZ 3.43Å; M279-Y418 HydrophobicContact SD-CD1 4.43Å; M279-Y418 HydrophobicContact SD-CD2 3.58Å; M279-Y418 VanDerWaalsContact SD-CD2 3.58Å; M279-Y418 HydrophobicContact SD-CE1 4.14Å; M279-Y418 HydrophobicContact SD-CE2 3.23Å; M279-Y418 WeakPolarHBondContact SD-CE2 3.35Å; M279-Y418 HydrophobicContact SD-CG 4.17Å; M279-Y418 VanDerWaalsContact SD-CZ 3.54Å; M416-Y418 PolarHBondContact O-N 3.32Å; Y418-P420 VanDerWaalsContact O-CD 3.23Å; Y418-P420 WeakPolarHBondContact O-CD 3.37Å; Y418-P420 VanDerWaalsContact O-N 3.12Å; Y418-F529 HydrophobicContact CE1-CE2 4.49Å; Y418-Y536 HydrophobicContact CD2-CD2 4.31Å; Y418-Y536 HydrophobicContact CD2-CE2 4.36Å; Y418-Y536 AromaticContact CE2-CD1 4Å; Y418-Y536 HydrophobicContact CE2-CD1 4Å; Y418-Y536 AromaticContact CE2-CD2 3.63Å; Y418-Y536 HydrophobicContact CE2-CD2 3.63Å; Y418-Y536 AromaticContact CE2-CE1 3.93Å; Y418-Y536 HydrophobicContact CE2-CE1 3.93Å; Y418-Y536 AromaticContact CE2-CE2 3.58Å; Y418-Y536 HydrophobicContact CE2-CE2 3.58Å; Y418-Y536 AromaticContact CE2-CG 3.83Å; Y418-Y536 HydrophobicContact CE2-CG 3.83Å; Y418-Y536 AromaticContact CE2-CZ 3.71Å; Y418-Y536 AromaticContact CZ-CD1 3.84Å; Y418-Y536 AromaticContact CZ-CE1 3.99Å; Y418-Y536 AromaticContact CZ-CG 3.94Å; Y418-Y536 WeakPolarHBondContact OH-CD1 3.26Å; Y418-Y536 WeakPolarHBondContact OH-CE1 3.49Å
419	R	61.9	Low	60.7	Low	79 Å²	79	48.5 Å²	48.5	30%	0.298	23%	0.234	S	C	.	.			trans	-55.3	115.4	165	-90.4	-171.1	-170.9	-107.2	6.2	109.3	E421 L422 H532 Y755	R419-E421 WeakPolarHBondContact CA-OE2 3.39Å; R419-E421 VanDerWaalsContact CB-OE2 3.25Å; R419-E421 WeakPolarHBondContact CB-OE2 3.44Å; R419-E421 WeakPolarHBondContact CD-OE1 3.17Å; R419-E421 WeakPolarHBondContact CG-OE2 3.25Å; R419-E421 IonicContact CZ-OE1 3.18Å; R419-E421 IonicContact NE-OE1 3.92Å; R419-E421 IonicContact NH1-OE1 2.79Å; R419-E421 PolarHBondContact NH1-OE1 2.65Å; R419-E421 PolarHBondContact O-N 2.91Å; R419-E421 VanDerWaalsContact O-N 3.11Å; R419-L422 PolarHBondContact O-N 2.94Å; R419-H532 VanDerWaalsContact CD-NE2 3.34Å; R419-H532 WeakPolarHBondContact CD-NE2 3.47Å; R419-H532 PolarHBondContact NE-NE2 3.13Å; R419-Y755 HydrophobicContact CG-CE1 3.83Å
420	P	64.8	Low	62.5	Low	29 Å²	29	45.3 Å²	45.3	19%	0.188	22%	0.217	C	C	.	.	H	α-helix	trans	-56.4	-29.3	175.2	21.8	-32.5	0	0	0	111.4	Y418 L422 V423 F424 Y755	Y418-P420 VanDerWaalsContact O-CD 3.23Å; Y418-P420 WeakPolarHBondContact O-CD 3.37Å; Y418-P420 VanDerWaalsContact O-N 3.12Å; P420-L422 PolarHBondContact O-N 3.25Å; P420-L422 VanDerWaalsContact O-N 3.13Å; P420-V423 PolarHBondContact O-N 3.17Å; P420-F424 HydrophobicContact CB-CD2 3.82Å; P420-F424 HydrophobicContact CB-CE2 3.78Å; P420-F424 WeakPolarHBondContact O-CD2 3.18Å; P420-F424 PolarHBondContact O-N 2.92Å; P420-Y755 HydrophobicContact CG-CD2 4.13Å; P420-Y755 HydrophobicContact CG-CG 3.93Å
421	E	68.1	Low	63.9	Low	6 Å²	6	44.3 Å²	44.3	3%	0.028	21%	0.211	C	C	.	.	H	α-helix	trans	-49.3	-39.2	177.7	-56.7	99.4	109.9	0	0	113.4	R419 T425 L520 T752	R419-E421 WeakPolarHBondContact CA-OE2 3.39Å; R419-E421 VanDerWaalsContact CB-OE2 3.25Å; R419-E421 WeakPolarHBondContact CB-OE2 3.44Å; R419-E421 WeakPolarHBondContact CD-OE1 3.17Å; R419-E421 WeakPolarHBondContact CG-OE2 3.25Å; R419-E421 IonicContact CZ-OE1 3.18Å; R419-E421 IonicContact NE-OE1 3.92Å; R419-E421 IonicContact NH1-OE1 2.79Å; R419-E421 PolarHBondContact NH1-OE1 2.65Å; R419-E421 PolarHBondContact O-N 2.91Å; R419-E421 VanDerWaalsContact O-N 3.11Å; E421-T425 WeakPolarHBondContact O-CB 3.28Å; E421-T425 PolarHBondContact O-N 3.34Å; E421-T425 PolarHBondContact O-OG1 2.8Å; E421-L520 HydrophobicContact CB-CD2 4.02Å; E421-L520 HydrophobicContact CG-CD2 3.77Å; E421-T752 HydrophobicContact CG-CG2 4.24Å
422	L	71.8	Confident	65.8	Low	9 Å²	9	41.1 Å²	41.1	5%	0.047	19%	0.185	C	C	.	.	H	α-helix	trans	-64.6	-51.7	-180	178.2	66.9	0	0	0	111.7	L278 R419 P420 F424 T425 F426 L522 Q525 L526 F529	L278-L422 HydrophobicContact CD1-CD2 3.8Å; L278-L422 HydrophobicContact CD1-CG 4.11Å; R419-L422 PolarHBondContact O-N 2.94Å; P420-L422 PolarHBondContact O-N 3.25Å; P420-L422 VanDerWaalsContact O-N 3.13Å; L422-F424 VanDerWaalsContact C-N 3.34Å; L422-F424 PolarHBondContact O-N 2.99Å; L422-T425 PolarHBondContact O-N 2.69Å; L422-F426 HydrophobicContact CD1-CD2 3.89Å; L422-F426 HydrophobicContact CD1-CE2 3.61Å; L422-F426 HydrophobicContact CG-CD2 4.02Å; L422-F426 HydrophobicContact CG-CE2 4Å; L422-F426 WeakPolarHBondContact O-CD2 3.36Å; L422-F426 PolarHBondContact O-N 2.85Å; L422-L522 HydrophobicContact CD1-CD1 4.31Å; L422-Q525 HydrophobicContact CB-CB 4.43Å; L422-Q525 HydrophobicContact CD1-CB 3.66Å; L422-L526 HydrophobicContact CD1-CD2 3.86Å; L422-F529 HydrophobicContact CD2-CD2 3.33Å; L422-F529 HydrophobicContact CD2-CE2 3.64Å; L422-F529 HydrophobicContact CD2-CG 4.09Å
423	V	68.4	Low	67.7	Low	28 Å²	28	33.9 Å²	33.9	17%	0.17	15%	0.152	C	C	.	.	H	α-helix	trans	-65	-40.2	-177.9	179.2	0	0	0	0	110.4	P420 R427	P420-V423 PolarHBondContact O-N 3.17Å; V423-R427 WeakPolarHBondContact O-CB 3.22Å; V423-R427 VanDerWaalsContact O-CG 3.28Å; V423-R427 WeakPolarHBondContact O-CG 3.19Å; V423-R427 PolarHBondContact O-N 3.29Å
424	F	70.9	Confident	69.5	Low	24 Å²	24	30.2 Å²	30.2	11%	0.105	13%	0.134	C	C	.	.	H	α-helix	trans	-73.5	-35.3	176.9	-70.1	-64.1	0	0	0	113.5	P420 L422 F426 R427 L428 L748 E751	P420-F424 HydrophobicContact CB-CD2 3.82Å; P420-F424 HydrophobicContact CB-CE2 3.78Å; P420-F424 WeakPolarHBondContact O-CD2 3.18Å; P420-F424 PolarHBondContact O-N 2.92Å; L422-F424 VanDerWaalsContact C-N 3.34Å; L422-F424 PolarHBondContact O-N 2.99Å; F424-F426 VanDerWaalsContact C-N 3.35Å; F424-R427 VanDerWaalsContact CE1-NH1 3.27Å; F424-R427 PolarHBondContact O-N 2.72Å; F424-L428 VanDerWaalsContact O-CB 3.23Å; F424-L428 WeakPolarHBondContact O-CB 3.26Å; F424-L428 PolarHBondContact O-N 3.4Å; F424-L748 HydrophobicContact CB-CB 4.03Å; F424-L748 HydrophobicContact CB-CD1 3.47Å; F424-L748 VanDerWaalsContact CB-CD1 3.47Å; F424-L748 HydrophobicContact CB-CG 4.27Å; F424-L748 HydrophobicContact CG-CD1 4.49Å; F424-E751 HydrophobicContact CD2-CB 4.44Å; F424-E751 WeakPolarHBondContact CE1-OE1 3.37Å; F424-E751 HydrophobicContact CE2-CB 4.14Å; F424-E751 VanDerWaalsContact CE2-CD 3.42Å; F424-E751 HydrophobicContact CE2-CG 4.39Å; F424-E751 WeakPolarHBondContact CE2-OE2 3.5Å; F424-E751 WeakPolarHBondContact CZ-OE1 3.43Å; F424-E751 WeakPolarHBondContact CZ-OE2 3.49Å
425	T	76.9	Confident	71.2	Confident	0 Å²	0	29.7 Å²	29.7	0%	0	13%	0.133	C	C	.	.	H	α-helix	trans	-64	-40.6	172.4	-71.6	0	0	0	0	111.1	E421 L422 N429 F514 L520 L522	E421-T425 WeakPolarHBondContact O-CB 3.28Å; E421-T425 PolarHBondContact O-N 3.34Å; E421-T425 PolarHBondContact O-OG1 2.8Å; L422-T425 PolarHBondContact O-N 2.69Å; T425-N429 WeakPolarHBondContact O-CB 3.16Å; T425-N429 PolarHBondContact O-N 2.93Å; T425-N429 PolarHBondContact O-ND2 2.92Å; T425-F514 HydrophobicContact CG2-CE1 4.35Å; T425-L520 WeakPolarHBondContact CG2-O 3.3Å; T425-L520 PolarHBondContact OG1-O 2.61Å; T425-L522 HydrophobicContact CG2-CB 3.76Å; T425-L522 HydrophobicContact CG2-CD1 3.82Å; T425-L522 HydrophobicContact CG2-CG 4.41Å
426	F	74.8	Confident	73	Confident	3 Å²	3	25.1 Å²	25.1	1%	0.013	12%	0.116	C	C	.	.	H	α-helix	trans	-61.5	-52.5	171.1	-87.7	-63.3	0	0	0	112.3	L213 L264 F268 L276 L278 L422 F424 L428 N429 R430 L522 L526	L213-F426 HydrophobicContact CD2-CE1 4.46Å; L213-F426 HydrophobicContact CD2-CZ 4.5Å; L264-F426 HydrophobicContact CD1-CZ 4.13Å; L264-F426 HydrophobicContact CD2-CD1 4Å; L264-F426 HydrophobicContact CD2-CE1 3.39Å; L264-F426 HydrophobicContact CD2-CE2 4.07Å; L264-F426 HydrophobicContact CD2-CZ 3.41Å; L264-F426 VanDerWaalsContact CD2-CZ 3.41Å; L264-F426 HydrophobicContact CG-CZ 4.42Å; F268-F426 HydrophobicContact CE1-CD1 4.45Å; F268-F426 HydrophobicContact CE2-CD1 4.08Å; F268-F426 AromaticContact CE2-CE1 3.97Å; F268-F426 HydrophobicContact CE2-CE1 3.97Å; F268-F426 AromaticContact CZ-CD1 3.59Å; F268-F426 HydrophobicContact CZ-CD1 3.59Å; F268-F426 AromaticContact CZ-CE1 3.9Å; F268-F426 HydrophobicContact CZ-CE1 3.9Å; L276-F426 HydrophobicContact CD2-CB 3.32Å; L276-F426 HydrophobicContact CD2-CD1 4.05Å; L276-F426 HydrophobicContact CD2-CD2 3.8Å; L276-F426 HydrophobicContact CD2-CG 3.5Å; L276-F426 VanDerWaalsContact CD2-CG 3.5Å; L278-F426 HydrophobicContact CD1-CD2 3.99Å; L278-F426 HydrophobicContact CD1-CE2 3.85Å; L422-F426 HydrophobicContact CD1-CD2 3.89Å; L422-F426 HydrophobicContact CD1-CE2 3.61Å; L422-F426 HydrophobicContact CG-CD2 4.02Å; L422-F426 HydrophobicContact CG-CE2 4Å; L422-F426 WeakPolarHBondContact O-CD2 3.36Å; L422-F426 PolarHBondContact O-N 2.85Å; F424-F426 VanDerWaalsContact C-N 3.35Å; F426-L428 VanDerWaalsContact C-N 3.27Å; F426-L428 PolarHBondContact O-N 2.87Å; F426-N429 PolarHBondContact O-N 3.34Å; F426-R430 PolarHBondContact O-N 3.03Å; F426-L522 HydrophobicContact CD1-CD1 3.76Å; F426-L522 HydrophobicContact CD1-CD2 4.03Å; F426-L522 HydrophobicContact CD2-CD1 3.95Å; F426-L522 HydrophobicContact CE1-CD1 3.71Å; F426-L522 HydrophobicContact CE1-CD2 3.68Å; F426-L522 HydrophobicContact CE1-CG 4.31Å; F426-L522 HydrophobicContact CE2-CD1 3.94Å; F426-L522 HydrophobicContact CG-CD1 3.87Å; F426-L522 HydrophobicContact CZ-CD1 3.82Å; F426-L522 HydrophobicContact CZ-CD2 4.35Å; F426-L526 HydrophobicContact CE2-CD2 4.03Å; F426-L526 HydrophobicContact CZ-CD2 3.8Å
427	R	72.8	Confident	74.9	Confident	79 Å²	79	25.5 Å²	25.5	30%	0.298	12%	0.117	S	C	.	.	H	α-helix	trans	-55.7	-40.7	177.7	-74.3	169.7	174.9	166.4	-2.3	112	V423 F424 R430 K431	V423-R427 WeakPolarHBondContact O-CB 3.22Å; V423-R427 VanDerWaalsContact O-CG 3.28Å; V423-R427 WeakPolarHBondContact O-CG 3.19Å; V423-R427 PolarHBondContact O-N 3.29Å; F424-R427 VanDerWaalsContact CE1-NH1 3.27Å; F424-R427 PolarHBondContact O-N 2.72Å; R427-R430 PolarHBondContact O-N 2.83Å; R427-K431 WeakPolarHBondContact O-CG 3.42Å; R427-K431 PolarHBondContact O-N 3.32Å
428	L	80.7	Confident	76.8	Confident	1 Å²	1	23.8 Å²	23.8	1%	0.005	11%	0.108	C	C	.	.	H	α-helix	trans	-70.1	-41.9	178.2	-176.6	58.1	0	0	0	112.4	F424 F426 R430 K431 L432 V510 F514 S744 V745 L748	F424-L428 VanDerWaalsContact O-CB 3.23Å; F424-L428 WeakPolarHBondContact O-CB 3.26Å; F424-L428 PolarHBondContact O-N 3.4Å; F426-L428 VanDerWaalsContact C-N 3.27Å; F426-L428 PolarHBondContact O-N 2.87Å; L428-R430 VanDerWaalsContact C-N 3.32Å; L428-R430 PolarHBondContact O-N 3.19Å; L428-K431 PolarHBondContact O-N 3.44Å; L428-L432 VanDerWaalsContact O-CB 3.26Å; L428-L432 WeakPolarHBondContact O-CB 3.22Å; L428-L432 PolarHBondContact O-N 3.33Å; L428-V510 HydrophobicContact CD1-CG1 3.99Å; L428-V510 HydrophobicContact CD1-CG2 4.07Å; L428-V510 HydrophobicContact CD2-CG1 4.28Å; L428-V510 HydrophobicContact CG-CG1 4.11Å; L428-F514 HydrophobicContact CB-CZ 4.29Å; L428-F514 HydrophobicContact CD2-CE1 4.14Å; L428-F514 HydrophobicContact CD2-CE2 4.03Å; L428-F514 HydrophobicContact CD2-CZ 3.54Å; L428-F514 HydrophobicContact CG-CE2 4.11Å; L428-F514 HydrophobicContact CG-CZ 3.75Å; L428-S744 WeakPolarHBondContact CD1-OG 3.07Å; L428-V745 HydrophobicContact CD1-CG2 3.88Å; L428-V745 HydrophobicContact CD2-CG2 4.45Å; L428-L748 HydrophobicContact CD2-CD2 3.49Å; L428-L748 VanDerWaalsContact CD2-CD2 3.49Å
429	N	82.9	Confident	78.3	Confident	2 Å²	2	22.6 Å²	22.6	1%	0.011	10%	0.103	C	C	.	.	H	α-helix	trans	-64.2	-38.2	173.7	-81.4	-91.3	0	0	0	111.4	L209 F268 T425 F426 L432 I433 F514	L209-N429 HydrophobicContact CD2-CB 4.24Å; F268-N429 HydrophobicContact CE1-CB 4.01Å; F268-N429 HydrophobicContact CZ-CB 4.49Å; T425-N429 WeakPolarHBondContact O-CB 3.16Å; T425-N429 PolarHBondContact O-N 2.93Å; T425-N429 PolarHBondContact O-ND2 2.92Å; F426-N429 PolarHBondContact O-N 3.34Å; N429-L432 PolarHBondContact O-N 3.14Å; N429-I433 WeakPolarHBondContact O-CG1 3.41Å; N429-I433 PolarHBondContact O-N 2.95Å; N429-F514 VanDerWaalsContact ND2-CZ 3.34Å; N429-F514 WeakPolarHBondContact ND2-CZ 3.42Å
430	R	80	Confident	79.5	Confident	19 Å²	19	19.8 Å²	19.8	7%	0.072	9%	0.093	C	C	.	.	H	α-helix	trans	-60.1	-53.3	172.8	-177.9	-175.5	-172	-176.7	0.5	111.8	S267 F268 I270 Q271 D272 I274 F426 R427 L428 L432 I433 Q434	S267-R430 WeakPolarHBondContact O-CD 3.18Å; S267-R430 VanDerWaalsContact O-CG 3.25Å; S267-R430 WeakPolarHBondContact O-CG 3.25Å; S267-R430 PolarHBondContact O-NE 3.16Å; F268-R430 HydrophobicContact CD1-CB 4.34Å; F268-R430 HydrophobicContact CE1-CB 4.47Å; I270-R430 PolarHBondContact O-NH2 3.09Å; Q271-R430 PolarHBondContact O-NH2 2.65Å; D272-R430 PolarHBondContact O-NH1 2.82Å; D272-R430 PolarHBondContact O-NH2 2.9Å; I274-R430 PolarHBondContact O-NH1 2.85Å; F426-R430 PolarHBondContact O-N 3.03Å; R427-R430 PolarHBondContact O-N 2.83Å; L428-R430 VanDerWaalsContact C-N 3.32Å; L428-R430 PolarHBondContact O-N 3.19Å; R430-L432 VanDerWaalsContact C-N 3.25Å; R430-L432 PolarHBondContact O-N 3.02Å; R430-I433 PolarHBondContact O-N 2.94Å; R430-Q434 WeakPolarHBondContact O-CG 3.39Å; R430-Q434 PolarHBondContact O-N 2.83Å
431	K	79.7	Confident	80.5	Confident	44 Å²	44	20.5 Å²	20.5	19%	0.191	10%	0.099	C	C	.	.	H	α-helix	trans	-65.6	-29.5	179.7	-64	-68.4	165.2	-161.9	0	111.8	D273 R427 L428 S435 L741	D273-K431 IonicContact OD1-NZ 3.79Å; D273-K431 PolarHBondContact OD1-NZ 3.45Å; R427-K431 WeakPolarHBondContact O-CG 3.42Å; R427-K431 PolarHBondContact O-N 3.32Å; L428-K431 PolarHBondContact O-N 3.44Å; K431-S435 WeakPolarHBondContact O-CB 3.16Å; K431-S435 PolarHBondContact O-N 3.2Å; K431-L741 HydrophobicContact CB-CD2 4.11Å
432	L	86.3	Confident	81.3	Confident	0 Å²	0	21.2 Å²	21.2	0%	0	10%	0.103	C	C	.	.	H	α-helix	trans	-64	-48.3	170.6	-177.6	60.5	0	0	0	112.2	L205 L428 N429 R430 S435 L436 I507 V510 F514 F592 M595	L205-L432 HydrophobicContact CD2-CB 4.48Å; L205-L432 HydrophobicContact CD2-CD2 3.76Å; L205-L432 HydrophobicContact CD2-CG 3.85Å; L428-L432 VanDerWaalsContact O-CB 3.26Å; L428-L432 WeakPolarHBondContact O-CB 3.22Å; L428-L432 PolarHBondContact O-N 3.33Å; N429-L432 PolarHBondContact O-N 3.14Å; R430-L432 VanDerWaalsContact C-N 3.25Å; R430-L432 PolarHBondContact O-N 3.02Å; L432-S435 PolarHBondContact O-N 2.87Å; L432-S435 PolarHBondContact O-OG 2.9Å; L432-L436 WeakPolarHBondContact O-CG 3.48Å; L432-L436 PolarHBondContact O-N 3.45Å; L432-I507 HydrophobicContact CD1-CG2 3.84Å; L432-V510 HydrophobicContact CD1-CG1 4.19Å; L432-V510 HydrophobicContact CD2-CG1 4.09Å; L432-F514 HydrophobicContact CD2-CE2 4.24Å; L432-F592 HydrophobicContact CD2-CE1 4.07Å; L432-M595 HydrophobicContact CD1-SD 3.96Å; L432-M595 HydrophobicContact CD2-CE 4.21Å; L432-M595 HydrophobicContact CD2-SD 4.13Å; L432-M595 HydrophobicContact CG-SD 4.47Å
433	I	86	Confident	82.1	Confident	11 Å²	11	20.8 Å²	20.8	6%	0.056	10%	0.1	C	C	.	.	H	α-helix	trans	-58.4	-50	173.6	-65.3	168.3	0	0	0	110.8	R202 L205 L209 F268 N429 R430 S435 L436 E437	R202-I433 HydrophobicContact CG-CG2 4.21Å; L205-I433 HydrophobicContact CD2-CG1 3.79Å; L205-I433 HydrophobicContact CG-CG1 4.28Å; L209-I433 HydrophobicContact CD1-CD1 3.56Å; L209-I433 HydrophobicContact CD1-CG1 4.38Å; F268-I433 HydrophobicContact CB-CD1 4.35Å; F268-I433 HydrophobicContact CD1-CD1 3.68Å; F268-I433 HydrophobicContact CE1-CD1 4.32Å; F268-I433 HydrophobicContact CG-CD1 4.28Å; N429-I433 WeakPolarHBondContact O-CG1 3.41Å; N429-I433 PolarHBondContact O-N 2.95Å; R430-I433 PolarHBondContact O-N 2.94Å; I433-S435 PolarHBondContact O-N 2.91Å; I433-L436 PolarHBondContact O-N 3.31Å; I433-E437 PolarHBondContact O-N 3.13Å
434	Q	84	Confident	82.9	Confident	39 Å²	39	22.8 Å²	22.8	18%	0.182	11%	0.11	C	C	.	.	H	α-helix	trans	-57.9	-33.9	179.2	-70.8	-177.7	-27.5	0	0	111.5	R430 L438	R430-Q434 WeakPolarHBondContact O-CG 3.39Å; R430-Q434 PolarHBondContact O-N 2.83Å; Q434-L438 WeakPolarHBondContact O-CB 3.38Å; Q434-L438 PolarHBondContact O-N 2.86Å
435	S	85.4	Confident	83.3	Confident	4 Å²	4	22.8 Å²	22.8	3%	0.028	12%	0.117	C	C	.	.	H	α-helix	trans	-70.6	-43	172.9	76.8	0	0	0	0	113.3	K431 L432 I433 E437 L438 G439 F503	K431-S435 WeakPolarHBondContact O-CB 3.16Å; K431-S435 PolarHBondContact O-N 3.2Å; L432-S435 PolarHBondContact O-N 2.87Å; L432-S435 PolarHBondContact O-OG 2.9Å; I433-S435 PolarHBondContact O-N 2.91Å; S435-E437 VanDerWaalsContact C-N 3.3Å; S435-E437 PolarHBondContact O-N 3.35Å; S435-L438 WeakPolarHBondContact O-CB 3.32Å; S435-L438 PolarHBondContact O-N 3.31Å; S435-G439 PolarHBondContact O-N 3.22Å; S435-F503 WeakPolarHBondContact O-CZ 3.49Å
436	L	89.2	Confident	83.6	Confident	2 Å²	2	23.1 Å²	23.1	1%	0.01	12%	0.119	C	C	.	.	H	α-helix	trans	-63.7	-38.1	177.5	-66.1	171.2	0	0	0	111.5	L198 R202 L205 L432 I433 G439 E440 M595 M599	L198-L436 HydrophobicContact CD2-CD2 4.36Å; R202-L436 HydrophobicContact CB-CB 4.07Å; R202-L436 HydrophobicContact CB-CD1 4.38Å; R202-L436 HydrophobicContact CG-CB 4.34Å; L205-L436 HydrophobicContact CD2-CD1 4.05Å; L432-L436 WeakPolarHBondContact O-CG 3.48Å; L432-L436 PolarHBondContact O-N 3.45Å; I433-L436 PolarHBondContact O-N 3.31Å; L436-G439 PolarHBondContact O-N 3.08Å; L436-E440 WeakPolarHBondContact O-CB 3.44Å; L436-E440 PolarHBondContact O-N 3.36Å; L436-M595 HydrophobicContact CD1-CE 3.88Å; L436-M599 HydrophobicContact CD2-CE 3.75Å
437	E	87.1	Confident	84	Confident	73 Å²	73	24.3 Å²	24.3	34%	0.341	12%	0.124	S	C	.	.	H	α-helix	trans	-65	-40.4	174.5	-170.2	176.1	149.3	0	0	112.4	I433 S435 E440 S441	I433-E437 PolarHBondContact O-N 3.13Å; S435-E437 VanDerWaalsContact C-N 3.3Å; S435-E437 PolarHBondContact O-N 3.35Å; E437-E440 PolarHBondContact O-N 2.72Å; E437-S441 WeakPolarHBondContact O-CB 3.39Å; E437-S441 PolarHBondContact O-N 2.8Å; E437-S441 PolarHBondContact O-OG 2.92Å
438	L	85.4	Confident	84	Confident	23 Å²	23	25.3 Å²	25.3	12%	0.12	14%	0.135	C	C	.	.	H	α-helix	trans	-62.5	-43.1	171	172.2	62.3	0	0	0	111.9	Q434 S435 S441 L442 F503 I733 A737	Q434-L438 WeakPolarHBondContact O-CB 3.38Å; Q434-L438 PolarHBondContact O-N 2.86Å; S435-L438 WeakPolarHBondContact O-CB 3.32Å; S435-L438 PolarHBondContact O-N 3.31Å; L438-S441 WeakPolarHBondContact CA-OG 3.25Å; L438-S441 PolarHBondContact O-OG 2.89Å; L438-L442 WeakPolarHBondContact O-CB 3.32Å; L438-L442 PolarHBondContact O-N 3.25Å; L438-F503 HydrophobicContact CD2-CE2 4.18Å; L438-F503 HydrophobicContact CD2-CZ 4.38Å; L438-I733 HydrophobicContact CD1-CG2 3.42Å; L438-I733 VanDerWaalsContact CD1-CG2 3.42Å; L438-I733 HydrophobicContact CD2-CG2 3.77Å; L438-I733 HydrophobicContact CG-CG2 4.25Å; L438-A737 HydrophobicContact CD2-CB 3.31Å
439	G	87.3	Confident	83.9	Confident	0 Å²	0	25.7 Å²	25.7	0%	0	14%	0.137	C	C	.	.	H	α-helix	trans	-63.3	-42.2	176.8	0	0	0	0	0	112.3	S435 L436 I443	S435-G439 PolarHBondContact O-N 3.22Å; L436-G439 PolarHBondContact O-N 3.08Å; G439-I443 WeakPolarHBondContact O-CB 3.2Å; G439-I443 VanDerWaalsContact O-CG1 3.3Å; G439-I443 WeakPolarHBondContact O-CG1 3.37Å; G439-I443 PolarHBondContact O-N 3.21Å; G439-I443 VanDerWaalsContact O-N 3.13Å
440	E	88.1	Confident	83.6	Confident	20 Å²	20	28.7 Å²	28.7	9%	0.093	15%	0.153	C	C	.	.	H	α-helix	trans	-64.4	-44.7	177.9	-175.6	176.1	168.1	0	0	112.4	H195 L198 S199 R202 L436 E437 D444	H195-E440 PolarHBondContact ND1-O 3.41Å; L198-E440 HydrophobicContact CB-CB 4.45Å; S199-E440 WeakPolarHBondContact CA-OE2 3.17Å; S199-E440 VanDerWaalsContact CB-CD 3.49Å; S199-E440 WeakPolarHBondContact CB-OE1 3.38Å; S199-E440 PolarHBondContact OG-OE1 2.84Å; R202-E440 IonicContact CZ-OE1 2.72Å; R202-E440 IonicContact CZ-OE2 3.56Å; R202-E440 IonicContact NE-OE2 3.34Å; R202-E440 PolarHBondContact NE-OE2 2.66Å; R202-E440 IonicContact NH2-OE1 3.85Å; R202-E440 PolarHBondContact NH2-OE1 2.98Å; R202-E440 IonicContact NH2-OE2 3.72Å; R202-E440 PolarHBondContact NH2-OE2 2.96Å; L436-E440 WeakPolarHBondContact O-CB 3.44Å; L436-E440 PolarHBondContact O-N 3.36Å; E437-E440 PolarHBondContact O-N 2.72Å; E440-D444 WeakPolarHBondContact O-CB 3.22Å; E440-D444 PolarHBondContact O-N 3.29Å
441	S	84.5	Confident	83.7	Confident	44 Å²	44	28.1 Å²	28.1	31%	0.308	15%	0.151	S	C	.	.	H	α-helix	trans	-75.4	-35.7	-179.9	53.5	0	0	0	0	113.8	E437 L438 D444 G445	E437-S441 WeakPolarHBondContact O-CB 3.39Å; E437-S441 PolarHBondContact O-N 2.8Å; E437-S441 PolarHBondContact O-OG 2.92Å; L438-S441 WeakPolarHBondContact CA-OG 3.25Å; L438-S441 PolarHBondContact O-OG 2.89Å; S441-D444 PolarHBondContact O-N 2.86Å; S441-G445 PolarHBondContact O-N 3.41Å
442	L	85.6	Confident	83.4	Confident	20 Å²	20	26.4 Å²	26.4	11%	0.105	15%	0.145	C	C	.	.	H	α-helix	trans	-66	-41.2	173.4	-177.6	145.9	0	0	0	111.4	L438 D444 L446 W500 W606 A730 L734	L438-L442 WeakPolarHBondContact O-CB 3.32Å; L438-L442 PolarHBondContact O-N 3.25Å; L442-D444 VanDerWaalsContact C-N 3.34Å; L442-L446 HydrophobicContact CD2-CD1 3.72Å; L442-L446 HydrophobicContact CG-CD1 4.22Å; L442-L446 WeakPolarHBondContact O-CB 3.28Å; L442-L446 VanDerWaalsContact O-CG 3.29Å; L442-L446 WeakPolarHBondContact O-CG 3.24Å; L442-L446 PolarHBondContact O-N 3.22Å; L442-W500 HydrophobicContact CD2-CE3 4.18Å; L442-W500 HydrophobicContact CD2-CZ3 3.89Å; L442-W606 HydrophobicContact CD2-CH2 4.29Å; L442-W606 HydrophobicContact CD2-CZ2 3.64Å; L442-A730 HydrophobicContact CD1-CB 4.38Å; L442-L734 HydrophobicContact CD1-CD1 3.84Å; L442-L734 HydrophobicContact CD1-CD2 4.06Å; L442-L734 HydrophobicContact CD1-CG 3.82Å
443	I	87.7	Confident	82.6	Confident	0 Å²	0	28.7 Å²	28.7	0%	0	16%	0.156	C	C	.	.	H	α-helix	trans	-66.3	-38.8	172.8	-67.7	177.1	0	0	0	110.5	L191 W194 H195 L198 G439 L446 K447 W500 I605 W606	L191-I443 HydrophobicContact CB-CG2 3.84Å; L191-I443 HydrophobicContact CD2-CG2 4.3Å; L191-I443 VanDerWaalsContact O-CG2 3.3Å; L191-I443 WeakPolarHBondContact O-CG2 3.49Å; W194-I443 HydrophobicContact CB-CD1 4.16Å; H195-I443 HydrophobicContact CB-CB 4.43Å; H195-I443 HydrophobicContact CB-CG2 3.81Å; L198-I443 HydrophobicContact CD1-CD1 3.79Å; G439-I443 WeakPolarHBondContact O-CB 3.2Å; G439-I443 VanDerWaalsContact O-CG1 3.3Å; G439-I443 WeakPolarHBondContact O-CG1 3.37Å; G439-I443 PolarHBondContact O-N 3.21Å; G439-I443 VanDerWaalsContact O-N 3.13Å; I443-L446 PolarHBondContact O-N 2.75Å; I443-K447 WeakPolarHBondContact O-CG 3.19Å; I443-K447 PolarHBondContact O-N 2.88Å; I443-W500 HydrophobicContact CD1-CH2 3.89Å; I443-W500 HydrophobicContact CD1-CZ2 3.92Å; I443-W500 HydrophobicContact CG1-CH2 4.04Å; I443-W500 HydrophobicContact CG1-CZ2 4.4Å; I443-I605 HydrophobicContact CD1-CD1 3.69Å; I443-I605 HydrophobicContact CG1-CD1 4.06Å; I443-W606 HydrophobicContact CG1-CH2 4.22Å; I443-W606 HydrophobicContact CG1-CZ2 4.17Å
444	D	86.3	Confident	81.8	Confident	71 Å²	71	29 Å²	29	38%	0.38	16%	0.161	S	C	.	.	H	α-helix	trans	-61.5	-50.6	179.2	-162.2	56.2	0	0	0	112.9	H195 E440 S441 L442 L446 K447	H195-D444 IonicContact CE1-OD1 3.77Å; H195-D444 PolarHBondContact CE1-OD1 2.97Å; H195-D444 IonicContact ND1-OD1 2.79Å; H195-D444 IonicContact NE2-OD1 2.72Å; E440-D444 WeakPolarHBondContact O-CB 3.22Å; E440-D444 PolarHBondContact O-N 3.29Å; S441-D444 PolarHBondContact O-N 2.86Å; L442-D444 VanDerWaalsContact C-N 3.34Å; D444-L446 VanDerWaalsContact C-N 3.25Å; D444-L446 PolarHBondContact O-N 3.24Å; D444-K447 VanDerWaalsContact O-CB 3.3Å; D444-K447 WeakPolarHBondContact O-CB 3.43Å; D444-K447 PolarHBondContact O-N 3.38Å; D444-K447 VanDerWaalsContact O-N 3.13Å; D444-K447 WeakPolarHBondContact OD1-CD 3.42Å; D444-K447 VanDerWaalsContact OD1-CE 3.24Å; D444-K447 WeakPolarHBondContact OD1-CE 3.44Å; D444-K447 IonicContact OD1-NZ 3.69Å; D444-K447 PolarHBondContact OD1-NZ 3.21Å
445	G	78.3	Confident	81.4	Confident	23 Å²	23	29 Å²	29	24%	0.237	17%	0.165	C	C	.	.	H	α-helix	trans	-59.3	-36.3	176	0	0	0	0	0	112.9	S441	S441-G445 PolarHBondContact O-N 3.41Å
446	L	84.3	Confident	81.4	Confident	8 Å²	8	29.3 Å²	29.3	4%	0.042	17%	0.166	C	C	.	.	H	α-helix	trans	-80.8	-9.1	179.4	-65.5	174.1	0	0	0	114.5	L191 L442 I443 D444 N448 F449 L493 L496 W606 W902	L191-L446 HydrophobicContact CD1-CB 4.38Å; L191-L446 WeakPolarHBondContact CD1-O 3.47Å; L442-L446 HydrophobicContact CD2-CD1 3.72Å; L442-L446 HydrophobicContact CG-CD1 4.22Å; L442-L446 WeakPolarHBondContact O-CB 3.28Å; L442-L446 VanDerWaalsContact O-CG 3.29Å; L442-L446 WeakPolarHBondContact O-CG 3.24Å; L442-L446 PolarHBondContact O-N 3.22Å; I443-L446 PolarHBondContact O-N 2.75Å; D444-L446 VanDerWaalsContact C-N 3.25Å; D444-L446 PolarHBondContact O-N 3.24Å; L446-N448 PolarHBondContact O-N 3.43Å; L446-F449 WeakPolarHBondContact O-CB 3.39Å; L446-F449 PolarHBondContact O-N 3.14Å; L446-L493 HydrophobicContact CD1-CD2 4.37Å; L446-L493 HydrophobicContact CD2-CD2 3.91Å; L446-L496 HydrophobicContact CD1-CD1 3.49Å; L446-L496 VanDerWaalsContact CD1-CD1 3.49Å; L446-W606 HydrophobicContact CB-CH2 3.99Å; L446-W606 HydrophobicContact CB-CZ3 4.19Å; L446-W606 HydrophobicContact CD1-CH2 3.43Å; L446-W606 VanDerWaalsContact CD1-CH2 3.43Å; L446-W606 HydrophobicContact CD1-CZ2 3.87Å; L446-W606 HydrophobicContact CD1-CZ3 3.89Å; L446-W606 HydrophobicContact CG-CH2 4.36Å; L446-W902 HydrophobicContact CD2-CH2 4.17Å
447	K	82.9	Confident	81.1	Confident	28 Å²	28	29.3 Å²	29.3	12%	0.122	17%	0.166	C	C	.	.	T	Hydrogen-bonded Turn	trans	-56.1	-32.8	167.6	-69.9	171.8	-171.4	169.9	0	112	L191 H195 I443 D444	L191-K447 HydrophobicContact CB-CG 3.98Å; H195-K447 PolarHBondContact CD2-NZ 2.89Å; H195-K447 VanDerWaalsContact CD2-NZ 3.25Å; H195-K447 PolarHBondContact CE1-NZ 3.19Å; H195-K447 PolarHBondContact NE2-NZ 2.93Å; I443-K447 WeakPolarHBondContact O-CG 3.19Å; I443-K447 PolarHBondContact O-N 2.88Å; D444-K447 VanDerWaalsContact O-CB 3.3Å; D444-K447 WeakPolarHBondContact O-CB 3.43Å; D444-K447 PolarHBondContact O-N 3.38Å; D444-K447 VanDerWaalsContact O-N 3.13Å; D444-K447 WeakPolarHBondContact OD1-CD 3.42Å; D444-K447 VanDerWaalsContact OD1-CE 3.24Å; D444-K447 WeakPolarHBondContact OD1-CE 3.44Å; D444-K447 IonicContact OD1-NZ 3.69Å; D444-K447 PolarHBondContact OD1-NZ 3.21Å
448	N	72.8	Confident	80.9	Confident	100 Å²	100	26.4 Å²	26.4	54%	0.535	15%	0.152	S	C	.	.	T	Hydrogen-bonded Turn	trans	-96.6	20.7	-177.3	-67.9	-43.4	0	0	0	113.5	H184 L446 N450	H184-N448 VanDerWaalsContact CE1-CA 3.47Å; H184-N448 WeakPolarHBondContact CE1-CA 3.5Å; H184-N448 PolarHBondContact NE2-OD1 3.48Å; H184-N448 VanDerWaalsContact NE2-OD1 3.14Å; L446-N448 PolarHBondContact O-N 3.43Å; N448-N450 PolarHBondContact O-N 3.49Å
449	F	79.5	Confident	81	Confident	9 Å²	9	26.3 Å²	26.3	4%	0.039	15%	0.151	C	C	.	.			trans	-66	105	174.6	178.2	-100.4	0	0	0	111	L187 L446 I451 Q453 L490 P492 L493 F727	L187-F449 HydrophobicContact CD2-CB 4.28Å; L187-F449 HydrophobicContact CD2-CD1 4.32Å; L446-F449 WeakPolarHBondContact O-CB 3.39Å; L446-F449 PolarHBondContact O-N 3.14Å; F449-I451 HydrophobicContact CD1-CG1 4.18Å; F449-I451 HydrophobicContact CE1-CG1 4.5Å; F449-I451 PolarHBondContact O-N 3.2Å; F449-I451 VanDerWaalsContact O-N 3.16Å; F449-Q453 VanDerWaalsContact CE2-NE2 3.25Å; F449-L490 HydrophobicContact CD1-CD2 4.37Å; F449-L490 HydrophobicContact CE1-CD2 4.22Å; F449-P492 HydrophobicContact CE2-CB 4.24Å; F449-P492 HydrophobicContact CZ-CB 4.07Å; F449-P492 HydrophobicContact CZ-CG 4.14Å; F449-L493 HydrophobicContact CB-CD2 4.27Å; F449-L493 HydrophobicContact CD1-CD1 3.89Å; F449-L493 HydrophobicContact CD1-CD2 4.2Å; F449-L493 HydrophobicContact CD1-CG 4.02Å; F449-L493 HydrophobicContact CD2-CD2 4.05Å; F449-L493 HydrophobicContact CE1-CD1 4.35Å; F449-L493 HydrophobicContact CE1-CG 4.18Å; F449-L493 HydrophobicContact CE2-CD2 4.5Å; F449-L493 HydrophobicContact CG-CD1 4.32Å; F449-L493 HydrophobicContact CG-CD2 3.89Å; F449-L493 HydrophobicContact CG-CG 4.24Å; F449-F727 HydrophobicContact CD2-CZ 4Å; F449-F727 HydrophobicContact CE2-CE2 4.05Å; F449-F727 AromaticContact CE2-CZ 3.62Å; F449-F727 HydrophobicContact CE2-CZ 3.62Å
450	N	76.3	Confident	81	Confident	64 Å²	64	26.3 Å²	26.3	34%	0.342	15%	0.151	S	C	.	.			trans	-58.7	117.7	169.9	178.1	-7.4	0	0	0	109.1	N448 A452 Q453	N448-N450 PolarHBondContact O-N 3.49Å; N450-A452 PolarHBondContact OD1-N 3.38Å; N450-Q453 VanDerWaalsContact O-CG 3.31Å; N450-Q453 WeakPolarHBondContact O-CG 3.38Å; N450-Q453 PolarHBondContact O-NE2 3Å
451	I	81	Confident	81	Confident	7 Å²	7	25.4 Å²	25.4	4%	0.036	15%	0.147	C	C	.	.	S	Bend	trans	-79.4	-30.7	-175	-56.5	167.3	0	0	0	111.2	L183 L187 F449 Q453 C456 L460 C489 L490	L183-I451 HydrophobicContact CB-CD1 3.81Å; L187-I451 HydrophobicContact CB-CD1 4.25Å; L187-I451 HydrophobicContact CD2-CD1 3.96Å; L187-I451 HydrophobicContact CD2-CG1 4.01Å; F449-I451 HydrophobicContact CD1-CG1 4.18Å; F449-I451 HydrophobicContact CE1-CG1 4.5Å; F449-I451 PolarHBondContact O-N 3.2Å; F449-I451 VanDerWaalsContact O-N 3.16Å; I451-Q453 VanDerWaalsContact C-N 3.25Å; I451-Q453 PolarHBondContact O-N 2.68Å; I451-C456 PolarHBondContact O-SG 3.49Å; I451-L460 HydrophobicContact CG2-CD1 4.21Å; I451-C489 HydrophobicContact CG2-CB 3.9Å; I451-L490 HydrophobicContact CB-CD2 4.46Å; I451-L490 HydrophobicContact CD1-CD2 4.22Å; I451-L490 HydrophobicContact CG1-CD2 3.89Å; I451-L490 HydrophobicContact CG2-CD2 3.86Å; I451-L490 HydrophobicContact CG2-CG 4.49Å
452	A	73.1	Confident	81.2	Confident	9 Å²	9	24 Å²	24	7%	0.074	13%	0.134	C	C	.	.			trans	-85.8	50.2	-168	0	0	0	0	0	113.8	T180 N450 M457 L460	T180-A452 HydrophobicContact CG2-CB 3.4Å; T180-A452 VanDerWaalsContact CG2-CB 3.4Å; N450-A452 PolarHBondContact OD1-N 3.38Å; A452-M457 HydrophobicContact CB-CB 4.4Å; A452-M457 HydrophobicContact CB-CG 4.26Å; A452-L460 HydrophobicContact CB-CD1 3.89Å
453	Q	69.9	Low	81.4	Confident	47 Å²	47	23 Å²	23	22%	0.22	13%	0.129	C	C	.	.			trans	-90.1	130.2	-177.1	-54.9	-176.2	23.8	0	0	111.6	F449 N450 I451 T455 C456 K723	F449-Q453 VanDerWaalsContact CE2-NE2 3.25Å; N450-Q453 VanDerWaalsContact O-CG 3.31Å; N450-Q453 WeakPolarHBondContact O-CG 3.38Å; N450-Q453 PolarHBondContact O-NE2 3Å; I451-Q453 VanDerWaalsContact C-N 3.25Å; I451-Q453 PolarHBondContact O-N 2.68Å; Q453-T455 PolarHBondContact O-N 3.02Å; Q453-C456 WeakPolarHBondContact O-CB 3.4Å; Q453-C456 PolarHBondContact O-N 3.23Å; Q453-K723 VanDerWaalsContact OE1-CD 3.3Å
454	G	70	Confident	81.4	Confident	17 Å²	17	23.9 Å²	23.9	18%	0.175	13%	0.133	C	C	.	.	T	Hydrogen-bonded Turn	trans	56	-132.9	176.4	0	0	0	0	0	112.8	C456 M457	G454-C456 PolarHBondContact O-N 3.01Å; G454-M457 VanDerWaalsContact O-CB 3.23Å; G454-M457 WeakPolarHBondContact O-CB 3.44Å; G454-M457 PolarHBondContact O-N 3.47Å; G454-M457 VanDerWaalsContact O-N 3.08Å
455	T	74.7	Confident	81.5	Confident	41 Å²	41	20.7 Å²	20.7	25%	0.252	12%	0.116	S	C	.	.	T	Hydrogen-bonded Turn	trans	-64.5	-20.4	-176.2	56.9	0	0	0	0	114.3	Q453 M457 R458 K459	Q453-T455 PolarHBondContact O-N 3.02Å; T455-M457 PolarHBondContact O-N 3.29Å; T455-R458 PolarHBondContact O-N 2.69Å; T455-K459 PolarHBondContact O-N 2.96Å
456	C	85.8	Confident	82	Confident	9 Å²	9	19.6 Å²	19.6	6%	0.061	11%	0.105	C	C	.	.	H	α-helix	trans	-55.9	-36.8	171.5	170.6	0	0	0	0	111.8	I451 Q453 G454 R458 K459 L460 C489	I451-C456 PolarHBondContact O-SG 3.49Å; Q453-C456 WeakPolarHBondContact O-CB 3.4Å; Q453-C456 PolarHBondContact O-N 3.23Å; G454-C456 PolarHBondContact O-N 3.01Å; C456-R458 VanDerWaalsContact C-N 3.32Å; C456-R458 PolarHBondContact O-N 3.05Å; C456-K459 CarbonylContact O-C 3.51Å; C456-K459 WeakPolarHBondContact O-CA 3.49Å; C456-K459 WeakPolarHBondContact O-CB 3.41Å; C456-K459 PolarHBondContact O-N 2.95Å; C456-L460 WeakPolarHBondContact O-CG 3.44Å; C456-L460 PolarHBondContact O-N 3.02Å; C456-C489 HydrophobicContact CB-CB 3.98Å; C456-C489 WeakPolarHBondContact CB-SG 3.23Å; C456-C489 WeakPolarHBondContact SG-CB 3.22Å; C456-C489 CovalentContact SG-SG 2.03Å; C456-C489 PolarHBondContact SG-SG 3.06Å
457	M	82	Confident	82.2	Confident	2 Å²	2	19.2 Å²	19.2	1%	0.01	10%	0.103	C	C	.	.	H	α-helix	trans	-54.4	-45.6	-178.9	-163.9	-165.4	85.6	0	0	112.4	L118 L123 L153 L176 A452 G454 T455 M461	L118-M457 HydrophobicContact CB-SD 4.34Å; L118-M457 HydrophobicContact CD1-CE 3.66Å; L118-M457 HydrophobicContact CD1-SD 4.43Å; L118-M457 HydrophobicContact CD2-CE 3.81Å; L118-M457 HydrophobicContact CD2-SD 4Å; L118-M457 HydrophobicContact CG-CE 4.23Å; L118-M457 HydrophobicContact CG-SD 4.49Å; L123-M457 HydrophobicContact CD1-SD 4.06Å; L153-M457 HydrophobicContact CD1-CE 4.2Å; L153-M457 HydrophobicContact CD2-CE 3.43Å; L153-M457 VanDerWaalsContact CD2-CE 3.43Å; L153-M457 HydrophobicContact CG-CE 4.48Å; L176-M457 HydrophobicContact CD1-CG 3.74Å; L176-M457 HydrophobicContact CD2-CE 3.67Å; L176-M457 HydrophobicContact CD2-CG 3.38Å; L176-M457 HydrophobicContact CD2-SD 3.57Å; L176-M457 VanDerWaalsContact CD2-SD 3.57Å; L176-M457 HydrophobicContact CG-CG 4.15Å; A452-M457 HydrophobicContact CB-CB 4.4Å; A452-M457 HydrophobicContact CB-CG 4.26Å; G454-M457 VanDerWaalsContact O-CB 3.23Å; G454-M457 WeakPolarHBondContact O-CB 3.44Å; G454-M457 PolarHBondContact O-N 3.47Å; G454-M457 VanDerWaalsContact O-N 3.08Å; T455-M457 PolarHBondContact O-N 3.29Å; M457-M461 PolarHBondContact O-N 3.5Å
458	R	83	Confident	82.4	Confident	12 Å²	12	17.9 Å²	17.9	5%	0.045	10%	0.097	C	C	.	.	H	α-helix	trans	-67.9	-43.5	175.7	-58.3	-179.1	-170.6	116.8	14.6	111.1	N115 L153 T455 C456 L460 M461 R462	N115-R458 PolarHBondContact OD1-NH1 3.39Å; N115-R458 PolarHBondContact OD1-NH2 3.49Å; L153-R458 HydrophobicContact CD2-CG 4.32Å; T455-R458 PolarHBondContact O-N 2.69Å; C456-R458 VanDerWaalsContact C-N 3.32Å; C456-R458 PolarHBondContact O-N 3.05Å; R458-L460 PolarHBondContact O-N 2.87Å; R458-M461 PolarHBondContact O-N 3.23Å; R458-R462 WeakPolarHBondContact O-CB 3.4Å; R458-R462 PolarHBondContact O-N 3.05Å
459	K	87.1	Confident	83.1	Confident	21 Å²	21	13.1 Å²	13.1	9%	0.091	7%	0.072	C	C	.	.	H	α-helix	trans	-60.3	-40.9	178.5	-69.1	-167.6	178.4	-154.3	0	112.6	T455 C456 M463 I485 D488 F646 C647 Q648	T455-K459 PolarHBondContact O-N 2.96Å; C456-K459 CarbonylContact O-C 3.51Å; C456-K459 WeakPolarHBondContact O-CA 3.49Å; C456-K459 WeakPolarHBondContact O-CB 3.41Å; C456-K459 PolarHBondContact O-N 2.95Å; K459-M463 VanDerWaalsContact O-CB 3.25Å; K459-M463 WeakPolarHBondContact O-CB 3.39Å; K459-M463 PolarHBondContact O-N 3.07Å; K459-I485 HydrophobicContact CB-CD1 4.19Å; K459-I485 HydrophobicContact CB-CG2 3.78Å; K459-I485 HydrophobicContact CD-CD1 4.08Å; K459-I485 HydrophobicContact CG-CD1 4.41Å; K459-D488 IonicContact NZ-OD2 2.7Å; K459-D488 PolarHBondContact NZ-OD2 2.95Å; K459-F646 WeakPolarHBondContact CE-O 3.45Å; K459-F646 PolarHBondContact NZ-O 3.46Å; K459-C647 PolarHBondContact NZ-O 3.27Å; K459-Q648 PolarHBondContact NZ-O 3.09Å
460	L	89.2	Confident	83.4	Confident	1 Å²	1	14 Å²	14	1%	0.005	8%	0.079	C	C	.	.	H	α-helix	trans	-65.1	-46.6	176.1	-70	176.7	0	0	0	112.3	L183 I451 A452 C456 R458 R462 M463 H464 I485 L486	L183-L460 HydrophobicContact CD1-CD1 4.01Å; L183-L460 HydrophobicContact CD1-CD2 3.75Å; L183-L460 HydrophobicContact CD1-CG 4.4Å; I451-L460 HydrophobicContact CG2-CD1 4.21Å; A452-L460 HydrophobicContact CB-CD1 3.89Å; C456-L460 WeakPolarHBondContact O-CG 3.44Å; C456-L460 PolarHBondContact O-N 3.02Å; R458-L460 PolarHBondContact O-N 2.87Å; L460-R462 PolarHBondContact O-N 3.24Å; L460-M463 HydrophobicContact CD2-CE 3.85Å; L460-M463 WeakPolarHBondContact O-CB 3.23Å; L460-M463 PolarHBondContact O-N 2.86Å; L460-H464 PolarHBondContact O-N 3.49Å; L460-I485 HydrophobicContact CD2-CG2 4.21Å; L460-L486 HydrophobicContact CD2-CD2 3.68Å
461	M	87.5	Confident	83.7	Confident	0 Å²	0	11.1 Å²	11.1	0%	0	7%	0.065	C	C	.	.	H	α-helix	trans	-59.6	-47	177.8	-176.2	54.3	-168.8	0	0	111	L153 E172 L175 L176 M457 R458 M463 H464 Y465 C466	L153-M461 HydrophobicContact CB-CB 4.26Å; L153-M461 HydrophobicContact CB-CG 3.82Å; E172-M461 HydrophobicContact CB-CE 4.01Å; E172-M461 HydrophobicContact CG-CE 4.12Å; L175-M461 HydrophobicContact CB-CE 3.85Å; L175-M461 HydrophobicContact CB-SD 4.09Å; L175-M461 HydrophobicContact CD1-CE 4.06Å; L176-M461 HydrophobicContact CB-SD 4.23Å; L176-M461 HydrophobicContact CD1-CB 4.41Å; M457-M461 PolarHBondContact O-N 3.5Å; R458-M461 PolarHBondContact O-N 3.23Å; M461-M463 VanDerWaalsContact C-N 3.33Å; M461-M463 PolarHBondContact O-N 2.68Å; M461-H464 PolarHBondContact O-N 2.99Å; M461-Y465 PolarHBondContact O-N 2.88Å; M461-Y465 VanDerWaalsContact O-N 3.09Å; M461-C466 VanDerWaalsContact C-SG 3.5Å; M461-C466 PolarHBondContact O-N 2.99Å; M461-C466 PolarHBondContact O-SG 3.43Å
462	R	88.4	Confident	83.7	Confident	14 Å²	14	13.7 Å²	13.7	5%	0.053	8%	0.076	C	C	.	.	H	α-helix	trans	-64.2	-32.7	175.4	-168.7	166.5	-177.1	163.6	1.2	113.8	D158 R458 L460 C466 W631 G633 F646	D158-R462 IonicContact OD1-CZ 3.45Å; D158-R462 IonicContact OD1-NH1 3.94Å; D158-R462 PolarHBondContact OD1-NH1 3.42Å; D158-R462 IonicContact OD1-NH2 3.85Å; D158-R462 PolarHBondContact OD1-NH2 2.67Å; D158-R462 IonicContact OD2-CZ 2.74Å; D158-R462 IonicContact OD2-NH1 3.23Å; D158-R462 PolarHBondContact OD2-NH1 2.69Å; D158-R462 IonicContact OD2-NH2 3.09Å; D158-R462 PolarHBondContact OD2-NH2 3.01Å; R458-R462 WeakPolarHBondContact O-CB 3.4Å; R458-R462 PolarHBondContact O-N 3.05Å; L460-R462 PolarHBondContact O-N 3.24Å; R462-C466 VanDerWaalsContact CA-SG 3.51Å; R462-W631 PolarHBondContact O-NE1 3.1Å; R462-G633 PolarHBondContact NE-O 2.94Å; R462-G633 VanDerWaalsContact NE-O 3.08Å; R462-F646 HydrophobicContact CB-CE2 4.42Å; R462-F646 HydrophobicContact CG-CD2 4.26Å; R462-F646 HydrophobicContact CG-CE1 4.45Å; R462-F646 HydrophobicContact CG-CE2 4Å; R462-F646 HydrophobicContact CG-CZ 4.12Å; R462-F646 VanDerWaalsContact CZ-CD1 3.42Å; R462-F646 VanDerWaalsContact NE-CD1 3.31Å
463	M	89.3	Confident	84.2	Confident	0 Å²	0	18 Å²	18	0%	0	10%	0.102	C	C	.	.	H	α-helix	trans	-69.1	-37.7	174.4	179.4	-170	72.9	0	0	112.8	K459 L460 M461 P477 L481 C482 I485 L486 L620 W631	K459-M463 VanDerWaalsContact O-CB 3.25Å; K459-M463 WeakPolarHBondContact O-CB 3.39Å; K459-M463 PolarHBondContact O-N 3.07Å; L460-M463 HydrophobicContact CD2-CE 3.85Å; L460-M463 WeakPolarHBondContact O-CB 3.23Å; L460-M463 PolarHBondContact O-N 2.86Å; M461-M463 VanDerWaalsContact C-N 3.33Å; M461-M463 PolarHBondContact O-N 2.68Å; M463-P477 HydrophobicContact CG-CB 3.84Å; M463-P477 HydrophobicContact CG-CG 4.2Å; M463-P477 WeakPolarHBondContact O-CB 3.48Å; M463-L481 HydrophobicContact CB-CD2 4.48Å; M463-L481 HydrophobicContact CG-CD2 4.19Å; M463-L481 HydrophobicContact CG-CG 4.27Å; M463-C482 HydrophobicContact SD-CB 4.37Å; M463-I485 HydrophobicContact CB-CB 4.49Å; M463-I485 HydrophobicContact CB-CG1 4.31Å; M463-I485 HydrophobicContact CB-CG2 4.25Å; M463-I485 HydrophobicContact CG-CB 4.46Å; M463-I485 HydrophobicContact CG-CG1 4.47Å; M463-I485 HydrophobicContact SD-CB 3.81Å; M463-I485 HydrophobicContact SD-CG1 4.43Å; M463-I485 HydrophobicContact SD-CG2 3.88Å; M463-L486 HydrophobicContact CE-CD2 4.3Å; M463-L620 HydrophobicContact CE-CD2 4.1Å; M463-W631 VanDerWaalsContact O-CD1 3.25Å
464	H	87.5	Confident	84.7	Confident	18 Å²	18	19 Å²	19	8%	0.083	11%	0.108	C	C	.	.	H	α-helix	trans	-110.4	-54.2	-164	-164	86	0	0	0	115.1	T179 L460 M461 L620	T179-H464 HydrophobicContact CG2-CB 3.86Å; L460-H464 PolarHBondContact O-N 3.49Å; M461-H464 PolarHBondContact O-N 2.99Å; H464-L620 VanDerWaalsContact ND1-CD2 3.29Å; H464-L620 WeakPolarHBondContact ND1-CD2 3.38Å
465	Y	88.8	Confident	85.4	Confident	4 Å²	4	19 Å²	19	2%	0.016	11%	0.106	C	C	.	.	T	Hydrogen-bonded Turn	trans	-109.2	-11	-171.6	-72.2	-48.6	0	0	0	115.5	M45 L175 K178 T179 M461 A467 L468 L474	M45-Y465 HydrophobicContact CE-CD1 4.1Å; M45-Y465 HydrophobicContact CE-CE1 3.58Å; M45-Y465 HydrophobicContact SD-CD1 4.39Å; M45-Y465 HydrophobicContact SD-CE1 3.63Å; L175-Y465 HydrophobicContact CB-CD2 3.57Å; L175-Y465 HydrophobicContact CB-CE2 4.25Å; L175-Y465 HydrophobicContact CB-CG 4.07Å; L175-Y465 HydrophobicContact CD2-CD1 4.02Å; L175-Y465 HydrophobicContact CD2-CD2 3.75Å; L175-Y465 HydrophobicContact CD2-CE1 4.36Å; L175-Y465 HydrophobicContact CD2-CE2 4.04Å; L175-Y465 HydrophobicContact CD2-CG 3.74Å; L175-Y465 HydrophobicContact CG-CD2 4.23Å; L175-Y465 HydrophobicContact CG-CG 4.36Å; L175-Y465 VanDerWaalsContact O-CD2 3.25Å; L175-Y465 WeakPolarHBondContact O-CD2 3.43Å; L175-Y465 WeakPolarHBondContact O-CE2 3.22Å; K178-Y465 HydrophobicContact CB-CE2 4.19Å; K178-Y465 WeakPolarHBondContact CD-OH 3.45Å; K178-Y465 HydrophobicContact CG-CE2 4.41Å; T179-Y465 HydrophobicContact CG2-CD2 3.32Å; T179-Y465 HydrophobicContact CG2-CE2 3.33Å; T179-Y465 HydrophobicContact CG2-CG 4.35Å; M461-Y465 PolarHBondContact O-N 2.88Å; M461-Y465 VanDerWaalsContact O-N 3.09Å; Y465-A467 PolarHBondContact O-N 2.87Å; Y465-A467 VanDerWaalsContact O-N 3.08Å; Y465-L468 WeakPolarHBondContact O-CB 3.44Å; Y465-L468 PolarHBondContact O-N 2.89Å; Y465-L474 HydrophobicContact CD1-CD1 3.62Å; Y465-L474 HydrophobicContact CE1-CD1 3.88Å
466	C	89.1	Confident	86	Confident	1 Å²	1	20.8 Å²	20.8	1%	0.007	11%	0.108	C	C	.	.	H	α-helix	trans	-64.8	-16.6	-177	-67.4	0	0	0	0	115.4	C154 M461 R462 L468 C469 S470 W631	C154-C466 WeakPolarHBondContact CA-SG 3.23Å; C154-C466 HydrophobicContact CB-CB 3.73Å; C154-C466 WeakPolarHBondContact CB-SG 3.13Å; C154-C466 VanDerWaalsContact SG-CA 3.54Å; C154-C466 WeakPolarHBondContact SG-CB 3.13Å; C154-C466 CovalentContact SG-SG 2.03Å; C154-C466 PolarHBondContact SG-SG 3.36Å; M461-C466 VanDerWaalsContact C-SG 3.5Å; M461-C466 PolarHBondContact O-N 2.99Å; M461-C466 PolarHBondContact O-SG 3.43Å; R462-C466 VanDerWaalsContact CA-SG 3.51Å; C466-L468 PolarHBondContact O-N 2.95Å; C466-C469 PolarHBondContact O-N 2.97Å; C466-S470 PolarHBondContact O-N 3.1Å; C466-S470 PolarHBondContact O-OG 3.02Å; C466-W631 HydrophobicContact CB-CZ2 4.17Å
467	A	88.3	Confident	86.1	Confident	0 Å²	0	20.4 Å²	20.4	0%	0	11%	0.106	C	C	.	.	H	α-helix	trans	-52.3	-42.1	166	0	0	0	0	0	112.1	Y465 C469 S470 G471 E472 W631	Y465-A467 PolarHBondContact O-N 2.87Å; Y465-A467 VanDerWaalsContact O-N 3.08Å; A467-C469 VanDerWaalsContact C-N 3.34Å; A467-C469 PolarHBondContact O-N 3.25Å; A467-S470 WeakPolarHBondContact CA-OG 3.16Å; A467-S470 PolarHBondContact O-N 3.24Å; A467-S470 PolarHBondContact O-OG 3.41Å; A467-G471 PolarHBondContact O-N 2.87Å; A467-E472 PolarHBondContact O-N 3.36Å; A467-W631 HydrophobicContact CB-CD2 3.71Å; A467-W631 HydrophobicContact CB-CE3 3.59Å; A467-W631 HydrophobicContact CB-CG 4.25Å; A467-W631 HydrophobicContact CB-CH2 4.29Å; A467-W631 HydrophobicContact CB-CZ2 4.41Å; A467-W631 HydrophobicContact CB-CZ3 3.89Å
468	L	87.7	Confident	86.5	Confident	0 Å²	0	20.4 Å²	20.4	0%	0	11%	0.106	C	C	.	.	H	α-helix	trans	-64.2	-40	177.1	-159.5	65	0	0	0	111.2	A38 E41 A42 M45 M171 L175 Y465 C466 G471	A38-L468 HydrophobicContact CB-CD1 3.94Å; A38-L468 HydrophobicContact CB-CG 3.95Å; A38-L468 WeakPolarHBondContact CB-O 3.34Å; E41-L468 HydrophobicContact CB-CD1 4.04Å; E41-L468 HydrophobicContact CG-CD1 3.93Å; E41-L468 VanDerWaalsContact OE2-CD1 3.23Å; E41-L468 WeakPolarHBondContact OE2-CD1 3.33Å; A42-L468 HydrophobicContact CB-CD2 4.17Å; M45-L468 HydrophobicContact CE-CD2 4.49Å; M171-L468 HydrophobicContact CE-CD2 4.16Å; M171-L468 HydrophobicContact CE-CG 4.47Å; L175-L468 HydrophobicContact CD1-CD2 4.13Å; L175-L468 HydrophobicContact CD2-CD2 4.12Å; Y465-L468 WeakPolarHBondContact O-CB 3.44Å; Y465-L468 PolarHBondContact O-N 2.89Å; C466-L468 PolarHBondContact O-N 2.95Å; L468-G471 PolarHBondContact O-N 3.06Å
469	C	87.1	Confident	86.8	Confident	0 Å²	0	22.4 Å²	22.4	0%	0	12%	0.12	C	C	.	.	H	α-helix	trans	-74.9	-22.4	179.8	-55.8	0	0	0	0	113.6	T165 C166 C167 C466 A467 G471	T165-C469 PolarHBondContact OG1-O 3.44Å; T165-C469 VanDerWaalsContact OG1-O 3.12Å; C166-C469 PolarHBondContact N-O 2.91Å; C166-C469 VanDerWaalsContact N-O 3.11Å; C167-C469 HydrophobicContact CB-CB 3.75Å; C167-C469 WeakPolarHBondContact CB-SG 3.46Å; C167-C469 WeakPolarHBondContact SG-CA 3.19Å; C167-C469 WeakPolarHBondContact SG-CB 3.49Å; C167-C469 CovalentContact SG-SG 2.04Å; C167-C469 PolarHBondContact SG-SG 3.35Å; C466-C469 PolarHBondContact O-N 2.97Å; A467-C469 VanDerWaalsContact C-N 3.34Å; A467-C469 PolarHBondContact O-N 3.25Å; C469-G471 VanDerWaalsContact C-N 3.31Å
470	S	85.2	Confident	86.8	Confident	27 Å²	27	23 Å²	23	19%	0.189	13%	0.132	C	C	.	.	T	Hydrogen-bonded Turn	trans	-80.5	-3.3	164.4	46.3	0	0	0	0	114.2	L30 Y155 C466 A467 E472	L30-S470 VanDerWaalsContact CD1-O 3.25Å; L30-S470 WeakPolarHBondContact CD1-O 3.35Å; Y155-S470 WeakPolarHBondContact OH-CB 3.44Å; Y155-S470 PolarHBondContact OH-N 2.91Å; C466-S470 PolarHBondContact O-N 3.1Å; C466-S470 PolarHBondContact O-OG 3.02Å; A467-S470 WeakPolarHBondContact CA-OG 3.16Å; A467-S470 PolarHBondContact O-N 3.24Å; A467-S470 PolarHBondContact O-OG 3.41Å; S470-E472 VanDerWaalsContact C-N 3.28Å; S470-E472 PolarHBondContact O-N 3.39Å
471	G	82.5	Confident	86.9	Confident	4 Å²	4	23 Å²	23	4%	0.041	13%	0.132	C	C	.	.	T	Hydrogen-bonded Turn	trans	66.5	29.4	-177	0	0	0	0	0	113.9	R34 A467 L468 C469	R34-G471 WeakPolarHBondContact CD-O 3.17Å; R34-G471 PolarHBondContact NH1-O 3.41Å; A467-G471 PolarHBondContact O-N 2.87Å; L468-G471 PolarHBondContact O-N 3.06Å; C469-G471 VanDerWaalsContact C-N 3.31Å
472	E	82.1	Confident	87.1	Confident	60 Å²	60	23 Å²	23	28%	0.28	13%	0.133	S	C	.	.			trans	-91.6	166.4	160.7	-67.8	-57.3	148.3	0	0	109.3	R34 A467 S470 I636	R34-E472 IonicContact CZ-OE1 3.73Å; R34-E472 VanDerWaalsContact NH1-CD 3.29Å; R34-E472 IonicContact NH1-OE1 3.68Å; R34-E472 PolarHBondContact NH1-OE1 2.94Å; R34-E472 IonicContact NH1-OE2 2.71Å; R34-E472 IonicContact NH2-OE1 3.58Å; A467-E472 PolarHBondContact O-N 3.36Å; S470-E472 VanDerWaalsContact C-N 3.28Å; S470-E472 PolarHBondContact O-N 3.39Å; E472-I636 HydrophobicContact CB-CD1 4.11Å; E472-I636 HydrophobicContact CB-CG1 4.49Å
473	T	82.1	Confident	87.2	Confident	100 Å²	100	26 Å²	26	61%	0.613	15%	0.149	S	C	*	.			trans	-70	149.5	174.4	50.7	0	0	0	0	111.2	S475	T473-S475 PolarHBondContact O-N 3.15Å; T473-S475 PolarHBondContact O-OG 2.97Å
474	L	82	Confident	87.3	Confident	68 Å²	68	28.6 Å²	28.6	36%	0.356	16%	0.16	S	C	.	.			trans	-56.4	102.6	174.8	-176.9	71	0	0	0	111	E41 M45 Y465	E41-L474 VanDerWaalsContact CD-CB 3.5Å; E41-L474 VanDerWaalsContact OE1-CB 3.25Å; E41-L474 WeakPolarHBondContact OE1-CB 3.28Å; M45-L474 HydrophobicContact CE-CD1 4Å; M45-L474 HydrophobicContact CE-CD2 3.46Å; M45-L474 VanDerWaalsContact CE-CD2 3.46Å; M45-L474 HydrophobicContact CE-CG 4.32Å; Y465-L474 HydrophobicContact CD1-CD1 3.62Å; Y465-L474 HydrophobicContact CE1-CD1 3.88Å
475	S	83.2	Confident	87.5	Confident	17 Å²	17	27.8 Å²	27.8	12%	0.119	16%	0.156	C	C	.	.			trans	-121	131.9	-174	38.9	0	0	0	0	108.9	T473 I636	T473-S475 PolarHBondContact O-N 3.15Å; T473-S475 PolarHBondContact O-OG 2.97Å; S475-I636 WeakPolarHBondContact OG-CD1 3.35Å; S475-I636 WeakPolarHBondContact OG-CG1 3.36Å
476	R	87.1	Confident	87.6	Confident	78 Å²	78	27.6 Å²	27.6	29%	0.294	16%	0.156	S	C	.	.	P	Polyproline II helix	trans	-66	146.2	-175.4	-65	-178.5	-178.1	-137.6	-19.1	110.7	P618 A621 L622 W631	R476-P618 PolarHBondContact NH1-O 3.27Å; R476-P618 PolarHBondContact NH2-O 3.2Å; R476-A621 VanDerWaalsContact CD-O 3.22Å; R476-A621 WeakPolarHBondContact CD-O 3.36Å; R476-A621 PolarHBondContact NH1-O 3.3Å; R476-L622 HydrophobicContact CB-CD1 3.96Å; R476-W631 PolarHBondContact O-N 2.79Å
477	P	89.4	Confident	87.6	Confident	2 Å²	2	29.5 Å²	29.5	1%	0.013	17%	0.169	C	C	.	.	B	Isolated β-bridge	trans	-55.6	144.2	176	19.5	-30.6	0	0	0	111.7	M463 L481 C482 L620 W631	M463-P477 HydrophobicContact CG-CB 3.84Å; M463-P477 HydrophobicContact CG-CG 4.2Å; M463-P477 WeakPolarHBondContact O-CB 3.48Å; P477-L481 HydrophobicContact CB-CD2 4.3Å; P477-C482 HydrophobicContact CB-CB 4.35Å; P477-C482 HydrophobicContact CG-CB 4.45Å; P477-L620 HydrophobicContact CG-CD2 4.11Å; P477-W631 WeakPolarHBondContact CA-O 3.48Å
478	C	90.2	Very high	87.5	Confident	2 Å²	2	30.4 Å²	30.4	1%	0.014	17%	0.174	C	C	.	.	P	Polyproline II helix	trans	-59.4	140.9	167.6	-64.9	0	0	0	0	110.2	G480 L481 C482 C630 W631 A637 F639	C478-G480 PolarHBondContact O-N 3Å; C478-L481 HydrophobicContact CB-CB 4.35Å; C478-L481 WeakPolarHBondContact O-CB 3.46Å; C478-L481 PolarHBondContact O-N 2.89Å; C478-C482 PolarHBondContact O-N 3.1Å; C478-C630 WeakPolarHBondContact CA-SG 3.15Å; C478-C630 HydrophobicContact CB-CB 3.99Å; C478-C630 WeakPolarHBondContact CB-SG 3.4Å; C478-C630 WeakPolarHBondContact SG-CB 3.36Å; C478-C630 CovalentContact SG-SG 2.04Å; C478-C630 PolarHBondContact SG-SG 3.41Å; C478-W631 PolarHBondContact N-O 3.48Å; C478-W631 PolarHBondContact SG-O 2.72Å; C478-W631 VanDerWaalsContact SG-O 3.37Å; C478-A637 PolarHBondContact SG-O 2.71Å; C478-A637 VanDerWaalsContact SG-O 3.34Å; C478-F639 HydrophobicContact CB-CB 3.67Å
479	P	88.3	Confident	87.5	Confident	54 Å²	54	30.8 Å²	30.8	35%	0.351	18%	0.177	S	C	.	.	H	α-helix	trans	-61.5	-31.4	-174.4	22.2	-33.1	0	0	0	113.3	L483	P479-L483 WeakPolarHBondContact O-CB 3.49Å; P479-L483 PolarHBondContact O-N 3.13Å
480	G	88.4	Confident	87.6	Confident	33 Å²	33	31 Å²	31	34%	0.34	18%	0.178	S	C	.	.	H	α-helix	trans	-66.8	-43.7	173.1	0	0	0	0	0	113.3	C478 L483 K484	C478-G480 PolarHBondContact O-N 3Å; G480-L483 PolarHBondContact O-N 2.77Å; G480-K484 WeakPolarHBondContact O-CB 3.41Å; G480-K484 PolarHBondContact O-N 2.91Å
481	L	90.1	Very high	87.6	Confident	0 Å²	0	34.1 Å²	34.1	0%	0	19%	0.185	C	C	.	.	H	α-helix	trans	-60.6	-50	173	178.7	69.8	0	0	0	110.2	M463 P477 C478 L483 K484 I485 F639 F646	M463-L481 HydrophobicContact CB-CD2 4.48Å; M463-L481 HydrophobicContact CG-CD2 4.19Å; M463-L481 HydrophobicContact CG-CG 4.27Å; P477-L481 HydrophobicContact CB-CD2 4.3Å; C478-L481 HydrophobicContact CB-CB 4.35Å; C478-L481 WeakPolarHBondContact O-CB 3.46Å; C478-L481 PolarHBondContact O-N 2.89Å; L481-L483 VanDerWaalsContact C-N 3.34Å; L481-L483 PolarHBondContact O-N 3.38Å; L481-K484 PolarHBondContact O-N 3.05Å; L481-I485 HydrophobicContact CD1-CD1 4.32Å; L481-I485 HydrophobicContact CD1-CG1 3.88Å; L481-I485 HydrophobicContact CG-CG1 4.23Å; L481-I485 WeakPolarHBondContact O-CG1 3.48Å; L481-I485 PolarHBondContact O-N 2.94Å; L481-F639 HydrophobicContact CB-CD2 3.68Å; L481-F639 HydrophobicContact CB-CE2 3.83Å; L481-F639 HydrophobicContact CB-CG 4.18Å; L481-F639 HydrophobicContact CB-CZ 4.43Å; L481-F639 HydrophobicContact CD1-CD2 4.15Å; L481-F639 HydrophobicContact CD1-CE2 3.67Å; L481-F639 HydrophobicContact CD1-CZ 4.5Å; L481-F639 HydrophobicContact CG-CD2 4.48Å; L481-F639 HydrophobicContact CG-CE2 4.37Å; L481-F646 HydrophobicContact CD1-CE2 3.98Å; L481-F646 HydrophobicContact CD1-CZ 3.67Å
482	C	92.2	Very high	87.5	Confident	2 Å²	2	35.5 Å²	35.5	1%	0.014	19%	0.194	C	C	.	.	H	α-helix	trans	-54.3	-50.6	179.7	-177.9	0	0	0	0	111.6	M463 P477 C478 K484 I485 L486 C614 L620	M463-C482 HydrophobicContact SD-CB 4.37Å; P477-C482 HydrophobicContact CB-CB 4.35Å; P477-C482 HydrophobicContact CG-CB 4.45Å; C478-C482 PolarHBondContact O-N 3.1Å; C482-K484 PolarHBondContact O-N 3.42Å; C482-I485 PolarHBondContact O-N 3Å; C482-L486 WeakPolarHBondContact O-CB 3.18Å; C482-L486 WeakPolarHBondContact O-CG 3.44Å; C482-L486 PolarHBondContact O-N 3.29Å; C482-C614 HydrophobicContact CB-CB 3.95Å; C482-C614 WeakPolarHBondContact CB-SG 3.3Å; C482-C614 PolarHBondContact O-SG 3.05Å; C482-C614 WeakPolarHBondContact SG-CA 3.45Å; C482-C614 WeakPolarHBondContact SG-CB 3.46Å; C482-C614 CovalentContact SG-SG 2.04Å; C482-C614 PolarHBondContact SG-SG 3.3Å; C482-L620 VanDerWaalsContact SG-CD1 3.57Å
483	L	91.2	Very high	87.5	Confident	75 Å²	75	32.7 Å²	32.7	39%	0.393	18%	0.18	S	C	.	.	H	α-helix	trans	-65.1	-39.9	-179.5	-174	147.8	0	0	0	111.6	P479 G480 L481 S487 C614	P479-L483 WeakPolarHBondContact O-CB 3.49Å; P479-L483 PolarHBondContact O-N 3.13Å; G480-L483 PolarHBondContact O-N 2.77Å; L481-L483 VanDerWaalsContact C-N 3.34Å; L481-L483 PolarHBondContact O-N 3.38Å; L483-S487 WeakPolarHBondContact O-CB 3.38Å; L483-S487 PolarHBondContact O-N 3.29Å; L483-S487 PolarHBondContact O-OG 2.9Å; L483-C614 PolarHBondContact N-SG 2.64Å; L483-C614 VanDerWaalsContact N-SG 3.39Å
484	K	90.6	Very high	87.6	Confident	56 Å²	56	30 Å²	30	24%	0.243	17%	0.166	C	C	.	.	H	α-helix	trans	-62.7	-48.6	177.1	-173.6	64.4	175.6	-165.7	0	111.9	G480 L481 C482 S487 D488 E641 C647	G480-K484 WeakPolarHBondContact O-CB 3.41Å; G480-K484 PolarHBondContact O-N 2.91Å; L481-K484 PolarHBondContact O-N 3.05Å; C482-K484 PolarHBondContact O-N 3.42Å; K484-S487 PolarHBondContact O-OG 3.2Å; K484-S487 VanDerWaalsContact O-OG 3.13Å; K484-D488 PolarHBondContact O-N 3.23Å; K484-E641 WeakPolarHBondContact CD-OE1 3.47Å; K484-E641 VanDerWaalsContact CE-OE1 3.26Å; K484-E641 WeakPolarHBondContact CE-OE1 3.16Å; K484-E641 IonicContact NZ-OE1 3.06Å; K484-E641 PolarHBondContact NZ-OE1 3.32Å; K484-C647 HydrophobicContact CG-CB 3.82Å
485	I	90.8	Very high	87.6	Confident	0 Å²	0	31.6 Å²	31.6	0%	0	17%	0.172	C	C	.	.	H	α-helix	trans	-69.6	-43.9	-178.8	-60.7	-51.3	0	0	0	111.6	K459 L460 M463 L481 C482 D488 C489 F646	K459-I485 HydrophobicContact CB-CD1 4.19Å; K459-I485 HydrophobicContact CB-CG2 3.78Å; K459-I485 HydrophobicContact CD-CD1 4.08Å; K459-I485 HydrophobicContact CG-CD1 4.41Å; L460-I485 HydrophobicContact CD2-CG2 4.21Å; M463-I485 HydrophobicContact CB-CB 4.49Å; M463-I485 HydrophobicContact CB-CG1 4.31Å; M463-I485 HydrophobicContact CB-CG2 4.25Å; M463-I485 HydrophobicContact CG-CB 4.46Å; M463-I485 HydrophobicContact CG-CG1 4.47Å; M463-I485 HydrophobicContact SD-CB 3.81Å; M463-I485 HydrophobicContact SD-CG1 4.43Å; M463-I485 HydrophobicContact SD-CG2 3.88Å; L481-I485 HydrophobicContact CD1-CD1 4.32Å; L481-I485 HydrophobicContact CD1-CG1 3.88Å; L481-I485 HydrophobicContact CG-CG1 4.23Å; L481-I485 WeakPolarHBondContact O-CG1 3.48Å; L481-I485 PolarHBondContact O-N 2.94Å; C482-I485 PolarHBondContact O-N 3Å; I485-D488 WeakPolarHBondContact O-CB 3.03Å; I485-D488 PolarHBondContact O-N 3.06Å; I485-C489 WeakPolarHBondContact O-CB 3.46Å; I485-C489 PolarHBondContact O-N 3.04Å; I485-C489 PolarHBondContact O-SG 2.96Å; I485-F646 HydrophobicContact CD1-CD2 4.33Å; I485-F646 HydrophobicContact CD1-CE2 3.96Å
486	L	90.8	Very high	87.7	Confident	0 Å²	0	30.8 Å²	30.8	0%	0	17%	0.166	C	C	.	.	H	α-helix	trans	-70.6	-33.9	178.7	-67.8	-166.8	0	0	0	113.2	L460 M463 C482 D488 C489 L490 L613 L620	L460-L486 HydrophobicContact CD2-CD2 3.68Å; M463-L486 HydrophobicContact CE-CD2 4.3Å; C482-L486 WeakPolarHBondContact O-CB 3.18Å; C482-L486 WeakPolarHBondContact O-CG 3.44Å; C482-L486 PolarHBondContact O-N 3.29Å; L486-D488 VanDerWaalsContact C-N 3.31Å; L486-D488 PolarHBondContact O-N 3.39Å; L486-C489 PolarHBondContact O-N 2.91Å; L486-L490 HydrophobicContact CB-CD1 4.16Å; L486-L490 VanDerWaalsContact O-CB 3.23Å; L486-L490 WeakPolarHBondContact O-CB 3.34Å; L486-L490 VanDerWaalsContact O-CG 3.22Å; L486-L490 WeakPolarHBondContact O-CG 3.19Å; L486-L490 PolarHBondContact O-N 3.07Å; L486-L613 HydrophobicContact CD1-CB 3.55Å; L486-L613 HydrophobicContact CD1-CD1 4.13Å; L486-L613 HydrophobicContact CD1-CG 4.49Å; L486-L620 HydrophobicContact CD1-CD1 3.85Å
487	S	89.7	Confident	87.7	Confident	42 Å²	42	28.4 Å²	28.4	29%	0.294	16%	0.159	S	C	.	.	H	α-helix	trans	-69.3	-28.6	174.6	58.6	0	0	0	0	113	L483 K484	L483-S487 WeakPolarHBondContact O-CB 3.38Å; L483-S487 PolarHBondContact O-N 3.29Å; L483-S487 PolarHBondContact O-OG 2.9Å; K484-S487 PolarHBondContact O-OG 3.2Å; K484-S487 VanDerWaalsContact O-OG 3.13Å
488	D	86.6	Confident	87.5	Confident	18 Å²	18	32.2 Å²	32.2	10%	0.096	18%	0.184	C	C	.	.	H	α-helix	trans	-69	-50.4	168.2	-95.1	10.5	0	0	0	111.9	K459 K484 I485 L486 R491 H649	K459-D488 IonicContact NZ-OD2 2.7Å; K459-D488 PolarHBondContact NZ-OD2 2.95Å; K484-D488 PolarHBondContact O-N 3.23Å; I485-D488 WeakPolarHBondContact O-CB 3.03Å; I485-D488 PolarHBondContact O-N 3.06Å; L486-D488 VanDerWaalsContact C-N 3.31Å; L486-D488 PolarHBondContact O-N 3.39Å; D488-R491 VanDerWaalsContact O-CB 3.3Å; D488-R491 WeakPolarHBondContact O-CB 3.36Å; D488-R491 PolarHBondContact O-N 2.9Å; D488-R491 IonicContact OD1-CZ 2.87Å; D488-R491 IonicContact OD1-NH2 2.75Å; D488-R491 PolarHBondContact OD1-NH2 3.18Å; D488-H649 IonicContact OD1-CE1 2.83Å; D488-H649 IonicContact OD1-ND1 3.93Å; D488-H649 PolarHBondContact OD1-ND1 3.26Å; D488-H649 IonicContact OD2-CE1 3.32Å; D488-H649 PolarHBondContact OD2-CE1 3.19Å; D488-H649 VanDerWaalsContact OD2-CE1 3.23Å; D488-H649 IonicContact OD2-ND1 3.58Å; D488-H649 PolarHBondContact OD2-ND1 3.35Å
489	C	88.1	Confident	87.3	Confident	9 Å²	9	33.9 Å²	33.9	6%	0.061	19%	0.192	C	C	.	.	H	α-helix	trans	-65	-41.1	-178.6	-74.9	0	0	0	0	113.8	I451 C456 I485 L486 R491 P492	I451-C489 HydrophobicContact CG2-CB 3.9Å; C456-C489 HydrophobicContact CB-CB 3.98Å; C456-C489 WeakPolarHBondContact CB-SG 3.23Å; C456-C489 WeakPolarHBondContact SG-CB 3.22Å; C456-C489 CovalentContact SG-SG 2.03Å; C456-C489 PolarHBondContact SG-SG 3.06Å; I485-C489 WeakPolarHBondContact O-CB 3.46Å; I485-C489 PolarHBondContact O-N 3.04Å; I485-C489 PolarHBondContact O-SG 2.96Å; L486-C489 PolarHBondContact O-N 2.91Å; C489-R491 VanDerWaalsContact C-N 3.25Å; C489-R491 PolarHBondContact O-N 2.79Å; C489-P492 WeakPolarHBondContact O-CD 3.41Å
490	L	88.2	Confident	87.3	Confident	4 Å²	4	31.4 Å²	31.4	2%	0.021	18%	0.175	C	C	.	.	T	Hydrogen-bonded Turn	trans	-88.4	9.2	-176.7	-57.8	167.7	0	0	0	112.4	L187 F449 I451 L486 P492 L493 S494 L613	L187-L490 HydrophobicContact CD2-CD2 4.49Å; F449-L490 HydrophobicContact CD1-CD2 4.37Å; F449-L490 HydrophobicContact CE1-CD2 4.22Å; I451-L490 HydrophobicContact CB-CD2 4.46Å; I451-L490 HydrophobicContact CD1-CD2 4.22Å; I451-L490 HydrophobicContact CG1-CD2 3.89Å; I451-L490 HydrophobicContact CG2-CD2 3.86Å; I451-L490 HydrophobicContact CG2-CG 4.49Å; L486-L490 HydrophobicContact CB-CD1 4.16Å; L486-L490 VanDerWaalsContact O-CB 3.23Å; L486-L490 WeakPolarHBondContact O-CB 3.34Å; L486-L490 VanDerWaalsContact O-CG 3.22Å; L486-L490 WeakPolarHBondContact O-CG 3.19Å; L486-L490 PolarHBondContact O-N 3.07Å; L490-P492 VanDerWaalsContact C-CD 3.4Å; L490-P492 VanDerWaalsContact C-N 3.33Å; L490-L493 HydrophobicContact CD2-CD1 4.01Å; L490-L493 WeakPolarHBondContact O-CA 3.48Å; L490-L493 WeakPolarHBondContact O-CB 3.24Å; L490-L493 PolarHBondContact O-N 3.02Å; L490-S494 PolarHBondContact O-N 3.08Å; L490-S494 VanDerWaalsContact O-N 3.11Å; L490-L613 HydrophobicContact CD1-CD1 3.65Å
491	R	85.5	Confident	87.5	Confident	92 Å²	92	34.9 Å²	34.9	35%	0.347	18%	0.179	S	C	.	.	H	α-helix	trans	-55.8	-35.2	178	-164.3	-177.5	-63.5	164.4	0.6	114.5	D488 C489 L493 S494 Q495 H649	D488-R491 VanDerWaalsContact O-CB 3.3Å; D488-R491 WeakPolarHBondContact O-CB 3.36Å; D488-R491 PolarHBondContact O-N 2.9Å; D488-R491 IonicContact OD1-CZ 2.87Å; D488-R491 IonicContact OD1-NH2 2.75Å; D488-R491 PolarHBondContact OD1-NH2 3.18Å; C489-R491 VanDerWaalsContact C-N 3.25Å; C489-R491 PolarHBondContact O-N 2.79Å; R491-L493 VanDerWaalsContact C-N 3.26Å; R491-L493 PolarHBondContact O-N 2.93Å; R491-S494 WeakPolarHBondContact CA-OG 3.39Å; R491-S494 PolarHBondContact O-N 2.9Å; R491-S494 VanDerWaalsContact O-N 3.13Å; R491-S494 PolarHBondContact O-OG 2.87Å; R491-S494 VanDerWaalsContact O-OG 3.1Å; R491-Q495 WeakPolarHBondContact O-CG 3.29Å; R491-Q495 PolarHBondContact O-N 2.95Å; R491-Q495 VanDerWaalsContact O-N 3.09Å; R491-H649 VanDerWaalsContact CZ-CE1 3.43Å; R491-H649 PolarHBondContact NH1-CD2 3.2Å; R491-H649 PolarHBondContact NH1-CE1 2.91Å; R491-H649 VanDerWaalsContact NH1-CE1 3.34Å; R491-H649 PolarHBondContact NH1-NE2 2.78Å; R491-H649 PolarHBondContact NH2-CE1 3.4Å; R491-H649 PolarHBondContact NH2-ND1 3Å
492	P	80.3	Confident	87.4	Confident	34 Å²	34	39.7 Å²	39.7	22%	0.221	20%	0.197	C	C	.	.	H	α-helix	trans	-60	-34.8	172.6	-25.4	36.6	0	0	0	113	F449 C489 L490 F727	F449-P492 HydrophobicContact CE2-CB 4.24Å; F449-P492 HydrophobicContact CZ-CB 4.07Å; F449-P492 HydrophobicContact CZ-CG 4.14Å; C489-P492 WeakPolarHBondContact O-CD 3.41Å; L490-P492 VanDerWaalsContact C-CD 3.4Å; L490-P492 VanDerWaalsContact C-N 3.33Å; P492-F727 HydrophobicContact CB-CD2 4.23Å; P492-F727 HydrophobicContact CB-CE1 4.14Å; P492-F727 HydrophobicContact CB-CE2 3.57Å; P492-F727 HydrophobicContact CB-CZ 3.52Å; P492-F727 WeakPolarHBondContact O-CD1 3.15Å; P492-F727 VanDerWaalsContact O-CE1 3.23Å; P492-F727 WeakPolarHBondContact O-CE1 3.22Å
493	L	82.9	Confident	87.2	Confident	0 Å²	0	39.7 Å²	39.7	0%	0	20%	0.197	C	C	.	.	H	α-helix	trans	-70.9	-41	172.5	-58.4	179.3	0	0	0	111.5	L187 L446 F449 L490 R491 Q495 L496 W606 F727	L187-L493 HydrophobicContact CD2-CD1 4.33Å; L446-L493 HydrophobicContact CD1-CD2 4.37Å; L446-L493 HydrophobicContact CD2-CD2 3.91Å; F449-L493 HydrophobicContact CB-CD2 4.27Å; F449-L493 HydrophobicContact CD1-CD1 3.89Å; F449-L493 HydrophobicContact CD1-CD2 4.2Å; F449-L493 HydrophobicContact CD1-CG 4.02Å; F449-L493 HydrophobicContact CD2-CD2 4.05Å; F449-L493 HydrophobicContact CE1-CD1 4.35Å; F449-L493 HydrophobicContact CE1-CG 4.18Å; F449-L493 HydrophobicContact CE2-CD2 4.5Å; F449-L493 HydrophobicContact CG-CD1 4.32Å; F449-L493 HydrophobicContact CG-CD2 3.89Å; F449-L493 HydrophobicContact CG-CG 4.24Å; L490-L493 HydrophobicContact CD2-CD1 4.01Å; L490-L493 WeakPolarHBondContact O-CA 3.48Å; L490-L493 WeakPolarHBondContact O-CB 3.24Å; L490-L493 PolarHBondContact O-N 3.02Å; R491-L493 VanDerWaalsContact C-N 3.26Å; R491-L493 PolarHBondContact O-N 2.93Å; L493-Q495 PolarHBondContact O-N 3.24Å; L493-L496 WeakPolarHBondContact O-CB 3.39Å; L493-L496 PolarHBondContact O-N 2.93Å; L493-W606 HydrophobicContact CB-CE3 4.03Å; L493-W606 HydrophobicContact CD1-CE3 4.41Å; L493-W606 HydrophobicContact CD2-CE3 4.45Å; L493-W606 HydrophobicContact CD2-CZ3 4.4Å; L493-W606 WeakPolarHBondContact O-CB 3.34Å; L493-F727 HydrophobicContact CD2-CE1 4.21Å; L493-F727 HydrophobicContact CD2-CZ 4.36Å
494	S	83.9	Confident	87.2	Confident	45 Å²	45	36.2 Å²	36.2	32%	0.315	18%	0.178	S	C	.	.	H	α-helix	trans	-68	-20.1	-179	77	0	0	0	0	113.7	L490 R491 L496 N497	L490-S494 PolarHBondContact O-N 3.08Å; L490-S494 VanDerWaalsContact O-N 3.11Å; R491-S494 WeakPolarHBondContact CA-OG 3.39Å; R491-S494 PolarHBondContact O-N 2.9Å; R491-S494 VanDerWaalsContact O-N 3.13Å; R491-S494 PolarHBondContact O-OG 2.87Å; R491-S494 VanDerWaalsContact O-OG 3.1Å; S494-L496 PolarHBondContact O-N 3.5Å; S494-N497 WeakPolarHBondContact O-CB 3.43Å; S494-N497 PolarHBondContact O-N 3.04Å
495	Q	81.8	Confident	87.2	Confident	101 Å²	101	35.9 Å²	35.9	47%	0.472	18%	0.178	S	C	.	.	T	Hydrogen-bonded Turn	trans	-60.8	-24.7	167.7	-71.5	176.3	-4.4	0	0	113.6	R491 L493 N497 P498	R491-Q495 WeakPolarHBondContact O-CG 3.29Å; R491-Q495 PolarHBondContact O-N 2.95Å; R491-Q495 VanDerWaalsContact O-N 3.09Å; L493-Q495 PolarHBondContact O-N 3.24Å; Q495-N497 VanDerWaalsContact C-N 3.32Å; Q495-P498 WeakPolarHBondContact O-CD 3.15Å
496	L	84.6	Confident	87	Confident	0 Å²	0	36.7 Å²	36.7	0%	0	18%	0.183	C	C	.	.	T	Hydrogen-bonded Turn	trans	-76.7	-18.4	174.9	-59.8	171.8	0	0	0	112.7	L446 L493 S494 P498 Q499 W500 W606 F727 A730	L446-L496 HydrophobicContact CD1-CD1 3.49Å; L446-L496 VanDerWaalsContact CD1-CD1 3.49Å; L493-L496 WeakPolarHBondContact O-CB 3.39Å; L493-L496 PolarHBondContact O-N 2.93Å; S494-L496 PolarHBondContact O-N 3.5Å; L496-P498 VanDerWaalsContact C-CD 3.46Å; L496-Q499 PolarHBondContact O-N 3.26Å; L496-W500 VanDerWaalsContact O-CB 3.28Å; L496-W500 WeakPolarHBondContact O-CB 3.49Å; L496-W500 PolarHBondContact O-N 2.96Å; L496-W606 HydrophobicContact CB-CG 4.48Å; L496-F727 HydrophobicContact CD1-CD1 4.28Å; L496-F727 HydrophobicContact CD1-CE1 4.19Å; L496-F727 HydrophobicContact CD2-CD1 4.22Å; L496-F727 HydrophobicContact CG-CD1 4.22Å; L496-F727 HydrophobicContact CG-CE1 4.5Å; L496-A730 HydrophobicContact CD2-CB 3.86Å
497	N	87.3	Confident	87	Confident	28 Å²	28	36.8 Å²	36.8	15%	0.15	18%	0.183	C	C	.	.	H	α-helix	trans	-57.1	-37.2	-171.4	-157.2	102	0	0	0	114.2	S494 Q495 Y501 W606 S607	S494-N497 WeakPolarHBondContact O-CB 3.43Å; S494-N497 PolarHBondContact O-N 3.04Å; Q495-N497 VanDerWaalsContact C-N 3.32Å; N497-Y501 WeakPolarHBondContact O-CB 3.49Å; N497-Y501 PolarHBondContact O-N 3.48Å; N497-W606 HydrophobicContact CB-CB 4.31Å; N497-S607 PolarHBondContact OD1-N 3.19Å; N497-S607 PolarHBondContact OD1-OG 2.9Å; N497-S607 VanDerWaalsContact OD1-OG 3.08Å
498	P	86.7	Confident	87.1	Confident	82 Å²	82	36.1 Å²	36.1	53%	0.532	18%	0.175	S	C	.	.	H	α-helix	trans	-66.4	-42.7	177.5	-22.1	34.9	0	0	0	113.8	Q495 L496 R502	Q495-P498 WeakPolarHBondContact O-CD 3.15Å; L496-P498 VanDerWaalsContact C-CD 3.46Å; P498-R502 PolarHBondContact O-N 3.14Å; P498-R502 VanDerWaalsContact O-N 3.14Å
499	Q	85.4	Confident	87.1	Confident	37 Å²	37	38 Å²	38	17%	0.173	19%	0.19	C	C	.	.	H	α-helix	trans	-77.4	-35.4	179.8	-52	-55.9	-8	0	0	111.3	L496 R502 F503 N731 L734 V735	L496-Q499 PolarHBondContact O-N 3.26Å; Q499-R502 PolarHBondContact O-N 3.2Å; Q499-F503 VanDerWaalsContact O-CB 3.22Å; Q499-F503 WeakPolarHBondContact O-CB 3.5Å; Q499-F503 PolarHBondContact O-N 2.91Å; Q499-N731 HydrophobicContact CG-CB 4.34Å; Q499-N731 WeakPolarHBondContact CG-OD1 3.23Å; Q499-L734 HydrophobicContact CB-CB 3.86Å; Q499-L734 HydrophobicContact CB-CD1 4.23Å; Q499-V735 HydrophobicContact CB-CG2 4.49Å; Q499-V735 HydrophobicContact CG-CG2 3.92Å; Q499-V735 VanDerWaalsContact OE1-CG2 3.29Å
500	W	89.1	Confident	87	Confident	2 Å²	2	37.6 Å²	37.6	1%	0.008	19%	0.187	C	C	.	.	H	α-helix	trans	-60.9	-44.5	170.8	-172.4	-104.4	0	0	0	112	L442 I443 L496 F503 T504 I602 I605 W606 L734	L442-W500 HydrophobicContact CD2-CE3 4.18Å; L442-W500 HydrophobicContact CD2-CZ3 3.89Å; I443-W500 HydrophobicContact CD1-CH2 3.89Å; I443-W500 HydrophobicContact CD1-CZ2 3.92Å; I443-W500 HydrophobicContact CG1-CH2 4.04Å; I443-W500 HydrophobicContact CG1-CZ2 4.4Å; L496-W500 VanDerWaalsContact O-CB 3.28Å; L496-W500 WeakPolarHBondContact O-CB 3.49Å; L496-W500 PolarHBondContact O-N 2.96Å; W500-F503 HydrophobicContact CE3-CD1 4.05Å; W500-F503 HydrophobicContact CH2-CE1 4.34Å; W500-F503 AromaticContact CZ3-CD1 4Å; W500-F503 HydrophobicContact CZ3-CD1 4Å; W500-F503 AromaticContact CZ3-CE1 3.99Å; W500-F503 HydrophobicContact CZ3-CE1 3.99Å; W500-F503 WeakPolarHBondContact O-CB 3.29Å; W500-F503 PolarHBondContact O-N 3.44Å; W500-T504 HydrophobicContact CZ2-CG2 4.41Å; W500-T504 PolarHBondContact O-N 2.82Å; W500-T504 PolarHBondContact O-OG1 3.27Å; W500-I602 HydrophobicContact CZ2-CG2 3.46Å; W500-I602 VanDerWaalsContact CZ2-CG2 3.46Å; W500-I602 PolarHBondContact NE1-O 2.93Å; W500-I605 HydrophobicContact CZ2-CD1 3.72Å; W500-W606 AromaticContact CD1-CD1 3.81Å; W500-W606 AromaticContact CD1-NE1 3.66Å; W500-W606 AromaticContact CD2-NE1 3.5Å; W500-W606 AromaticContact CE2-NE1 3.98Å; W500-W606 AromaticContact CG-CD1 3.68Å; W500-W606 AromaticContact CG-NE1 3.28Å; W500-W606 VanDerWaalsContact CG-NE1 3.28Å; W500-L734 HydrophobicContact CE3-CD1 4.17Å; W500-L734 HydrophobicContact CE3-CD2 3.74Å; W500-L734 HydrophobicContact CZ3-CD2 4.04Å
501	Y	90.8	Very high	87	Confident	105 Å²	105	37.4 Å²	37.4	41%	0.412	19%	0.186	S	C	.	.	H	α-helix	trans	-60.8	-46.8	175.9	178.1	-105	0	0	0	112.1	N497 F503 T504 E505 K603	N497-Y501 WeakPolarHBondContact O-CB 3.49Å; N497-Y501 PolarHBondContact O-N 3.48Å; Y501-F503 VanDerWaalsContact C-N 3.28Å; Y501-F503 PolarHBondContact O-N 3.09Å; Y501-T504 PolarHBondContact O-N 3.38Å; Y501-T504 PolarHBondContact O-OG1 3.18Å; Y501-E505 HydrophobicContact CD2-CG 4.26Å; Y501-E505 HydrophobicContact CE1-CG 4.02Å; Y501-E505 HydrophobicContact CE2-CG 3.62Å; Y501-E505 VanDerWaalsContact CE2-OE1 3.22Å; Y501-E505 WeakPolarHBondContact CE2-OE1 3.46Å; Y501-E505 VanDerWaalsContact CZ-CG 3.47Å; Y501-E505 VanDerWaalsContact CZ-OE1 3.26Å; Y501-E505 WeakPolarHBondContact O-CG 3.36Å; Y501-E505 PolarHBondContact O-N 2.7Å; Y501-E505 WeakPolarHBondContact OH-CG 3.47Å; Y501-E505 PolarHBondContact OH-OE1 3Å; Y501-K603 HydrophobicContact CD2-CB 4.06Å; Y501-K603 HydrophobicContact CE2-CB 4.44Å; Y501-K603 HydrophobicContact CE2-CD 4.22Å
502	R	88.2	Confident	87.1	Confident	101 Å²	101	34.9 Å²	34.9	38%	0.381	18%	0.179	S	C	.	.	H	α-helix	trans	-58.2	-43.4	173.9	-175.5	-177.4	-176.6	160.3	2.3	111.3	P498 Q499 E505 T506 E742	P498-R502 PolarHBondContact O-N 3.14Å; P498-R502 VanDerWaalsContact O-N 3.14Å; Q499-R502 PolarHBondContact O-N 3.2Å; R502-E505 PolarHBondContact O-N 3.44Å; R502-T506 WeakPolarHBondContact O-CG2 3.3Å; R502-T506 PolarHBondContact O-N 3.32Å; R502-T506 PolarHBondContact O-OG1 2.89Å; R502-E742 IonicContact CZ-OE2 3.92Å; R502-E742 IonicContact NE-OE2 2.9Å; R502-E742 IonicContact NH2-OE2 2.7Å; R502-E742 PolarHBondContact NH2-OE2 3.49Å
503	F	88.9	Confident	87.2	Confident	3 Å²	3	34 Å²	34	1%	0.013	17%	0.173	C	C	.	.	H	α-helix	trans	-63.2	-48.8	-179	175.7	-104.7	0	0	0	112.7	S435 L438 Q499 W500 Y501 E505 T506 I507 L734 A737	S435-F503 WeakPolarHBondContact O-CZ 3.49Å; L438-F503 HydrophobicContact CD2-CE2 4.18Å; L438-F503 HydrophobicContact CD2-CZ 4.38Å; Q499-F503 VanDerWaalsContact O-CB 3.22Å; Q499-F503 WeakPolarHBondContact O-CB 3.5Å; Q499-F503 PolarHBondContact O-N 2.91Å; W500-F503 HydrophobicContact CE3-CD1 4.05Å; W500-F503 HydrophobicContact CH2-CE1 4.34Å; W500-F503 AromaticContact CZ3-CD1 4Å; W500-F503 HydrophobicContact CZ3-CD1 4Å; W500-F503 AromaticContact CZ3-CE1 3.99Å; W500-F503 HydrophobicContact CZ3-CE1 3.99Å; W500-F503 WeakPolarHBondContact O-CB 3.29Å; W500-F503 PolarHBondContact O-N 3.44Å; Y501-F503 VanDerWaalsContact C-N 3.28Å; Y501-F503 PolarHBondContact O-N 3.09Å; F503-E505 PolarHBondContact O-N 3.2Å; F503-T506 WeakPolarHBondContact CA-OG1 3.47Å; F503-T506 PolarHBondContact O-N 2.86Å; F503-T506 PolarHBondContact O-OG1 3.39Å; F503-I507 HydrophobicContact CD1-CD1 4.22Å; F503-I507 HydrophobicContact CE1-CD1 3.7Å; F503-I507 HydrophobicContact CE2-CD1 4.11Å; F503-I507 HydrophobicContact CZ-CD1 3.66Å; F503-I507 PolarHBondContact O-N 3.01Å; F503-L734 HydrophobicContact CB-CD2 4.15Å; F503-L734 HydrophobicContact CD1-CD2 3.94Å; F503-L734 HydrophobicContact CD2-CD2 4.22Å; F503-L734 HydrophobicContact CE1-CD2 4.33Å; F503-L734 HydrophobicContact CG-CD2 3.85Å; F503-A737 HydrophobicContact CD2-CB 4.14Å; F503-A737 HydrophobicContact CE2-CB 3.8Å
504	T	90.7	Very high	87.2	Confident	1 Å²	1	34 Å²	34	1%	0.006	17%	0.173	C	C	.	.	H	α-helix	trans	-65.8	-38.2	177	58.9	0	0	0	0	112.4	W500 Y501 I507 K508 M599 I602 K603	W500-T504 HydrophobicContact CZ2-CG2 4.41Å; W500-T504 PolarHBondContact O-N 2.82Å; W500-T504 PolarHBondContact O-OG1 3.27Å; Y501-T504 PolarHBondContact O-N 3.38Å; Y501-T504 PolarHBondContact O-OG1 3.18Å; T504-I507 PolarHBondContact O-N 3.06Å; T504-K508 VanDerWaalsContact O-CB 3.28Å; T504-K508 WeakPolarHBondContact O-CB 3.39Å; T504-K508 PolarHBondContact O-N 3.08Å; T504-M599 HydrophobicContact CG2-SD 3.87Å; T504-I602 HydrophobicContact CG2-CG2 4.21Å; T504-K603 WeakPolarHBondContact OG1-CB 3.39Å
505	E	89.9	Confident	87.1	Confident	49 Å²	49	33.4 Å²	33.4	23%	0.229	17%	0.166	C	C	.	.	H	α-helix	trans	-67.4	-32.3	173.5	-64.8	-73	-174.5	0	0	112.2	Y501 R502 F503 K508 S509	Y501-E505 HydrophobicContact CD2-CG 4.26Å; Y501-E505 HydrophobicContact CE1-CG 4.02Å; Y501-E505 HydrophobicContact CE2-CG 3.62Å; Y501-E505 VanDerWaalsContact CE2-OE1 3.22Å; Y501-E505 WeakPolarHBondContact CE2-OE1 3.46Å; Y501-E505 VanDerWaalsContact CZ-CG 3.47Å; Y501-E505 VanDerWaalsContact CZ-OE1 3.26Å; Y501-E505 WeakPolarHBondContact O-CG 3.36Å; Y501-E505 PolarHBondContact O-N 2.7Å; Y501-E505 WeakPolarHBondContact OH-CG 3.47Å; Y501-E505 PolarHBondContact OH-OE1 3Å; R502-E505 PolarHBondContact O-N 3.44Å; F503-E505 PolarHBondContact O-N 3.2Å; E505-K508 PolarHBondContact O-N 3.41Å; E505-K508 IonicContact OE1-NZ 3.29Å; E505-K508 WeakPolarHBondContact OE2-CD 3.47Å; E505-K508 WeakPolarHBondContact OE2-CE 3.18Å; E505-K508 IonicContact OE2-NZ 3.97Å; E505-K508 PolarHBondContact OE2-NZ 3.44Å; E505-S509 WeakPolarHBondContact O-CB 3.49Å; E505-S509 PolarHBondContact O-N 2.81Å
506	T	88.3	Confident	87.1	Confident	18 Å²	18	35.4 Å²	35.4	11%	0.11	18%	0.175	C	C	.	.	H	α-helix	trans	-66.5	-42.1	171.8	50.7	0	0	0	0	112.5	R502 F503 S509 V510 E742	R502-T506 WeakPolarHBondContact O-CG2 3.3Å; R502-T506 PolarHBondContact O-N 3.32Å; R502-T506 PolarHBondContact O-OG1 2.89Å; F503-T506 WeakPolarHBondContact CA-OG1 3.47Å; F503-T506 PolarHBondContact O-N 2.86Å; F503-T506 PolarHBondContact O-OG1 3.39Å; T506-S509 PolarHBondContact O-N 3.11Å; T506-V510 WeakPolarHBondContact O-CG2 3.15Å; T506-V510 PolarHBondContact O-N 2.94Å; T506-E742 HydrophobicContact CG2-CB 4.31Å
507	I	90.1	Very high	86.7	Confident	1 Å²	1	38.1 Å²	38.1	1%	0.005	19%	0.187	C	C	.	.	H	α-helix	trans	-64.9	-41.6	175.1	-66.9	170.7	0	0	0	110.8	L432 F503 T504 S509 V510 A511 M595 M599 L741	L432-I507 HydrophobicContact CD1-CG2 3.84Å; F503-I507 HydrophobicContact CD1-CD1 4.22Å; F503-I507 HydrophobicContact CE1-CD1 3.7Å; F503-I507 HydrophobicContact CE2-CD1 4.11Å; F503-I507 HydrophobicContact CZ-CD1 3.66Å; F503-I507 PolarHBondContact O-N 3.01Å; T504-I507 PolarHBondContact O-N 3.06Å; I507-S509 PolarHBondContact O-N 3.22Å; I507-V510 WeakPolarHBondContact O-CB 3.49Å; I507-V510 PolarHBondContact O-N 3.34Å; I507-V510 VanDerWaalsContact O-N 3.13Å; I507-A511 PolarHBondContact O-N 3.45Å; I507-M595 HydrophobicContact CG2-CG 4.17Å; I507-M595 HydrophobicContact CG2-SD 3.92Å; I507-M599 HydrophobicContact CB-CE 4.49Å; I507-M599 HydrophobicContact CB-CG 4.32Å; I507-M599 HydrophobicContact CB-SD 4.03Å; I507-M599 HydrophobicContact CD1-CE 4.1Å; I507-M599 HydrophobicContact CD1-SD 4.12Å; I507-M599 HydrophobicContact CG2-CE 3.88Å; I507-M599 HydrophobicContact CG2-CG 3.93Å; I507-M599 HydrophobicContact CG2-SD 3.93Å; I507-L741 HydrophobicContact CG1-CD1 3.69Å
508	K	91.1	Very high	86	Confident	29 Å²	29	39.5 Å²	39.5	13%	0.126	20%	0.197	C	C	.	.	H	α-helix	trans	-61.1	-41.2	174.8	177.7	169.6	153.8	-158.1	0	112.2	T504 E505 V510 A511 D512 K596 M599 D600	T504-K508 VanDerWaalsContact O-CB 3.28Å; T504-K508 WeakPolarHBondContact O-CB 3.39Å; T504-K508 PolarHBondContact O-N 3.08Å; E505-K508 PolarHBondContact O-N 3.41Å; E505-K508 IonicContact OE1-NZ 3.29Å; E505-K508 WeakPolarHBondContact OE2-CD 3.47Å; E505-K508 WeakPolarHBondContact OE2-CE 3.18Å; E505-K508 IonicContact OE2-NZ 3.97Å; E505-K508 PolarHBondContact OE2-NZ 3.44Å; K508-V510 VanDerWaalsContact C-N 3.32Å; K508-V510 PolarHBondContact O-N 3.2Å; K508-A511 PolarHBondContact O-N 3.13Å; K508-D512 WeakPolarHBondContact O-CB 3.47Å; K508-D512 PolarHBondContact O-N 3.35Å; K508-K596 HydrophobicContact CG-CG 4.34Å; K508-M599 HydrophobicContact CB-CB 4.31Å; K508-D600 WeakPolarHBondContact CD-OD2 3.37Å; K508-D600 WeakPolarHBondContact CE-OD2 3.31Å; K508-D600 VanDerWaalsContact NZ-CG 3.28Å; K508-D600 IonicContact NZ-OD1 2.69Å; K508-D600 PolarHBondContact NZ-OD1 3.27Å; K508-D600 IonicContact NZ-OD2 3.81Å; K508-D600 PolarHBondContact NZ-OD2 3.18Å
509	S	87.1	Confident	85	Confident	58 Å²	58	39.9 Å²	39.9	41%	0.406	19%	0.192	S	C	.	.	H	α-helix	trans	-63.6	-34	172.7	-175.1	0	0	0	0	113	E505 T506 I507 I513	E505-S509 WeakPolarHBondContact O-CB 3.49Å; E505-S509 PolarHBondContact O-N 2.81Å; T506-S509 PolarHBondContact O-N 3.11Å; I507-S509 PolarHBondContact O-N 3.22Å; S509-I513 WeakPolarHBondContact O-CD1 3.13Å; S509-I513 VanDerWaalsContact O-CG1 3.29Å; S509-I513 WeakPolarHBondContact O-CG1 3.44Å; S509-I513 PolarHBondContact O-N 3.33Å; S509-I513 VanDerWaalsContact O-N 3.13Å
510	V	86.5	Confident	84.3	Confident	0 Å²	0	38.5 Å²	38.5	0%	0	19%	0.186	C	C	.	.	H	α-helix	trans	-66.3	-46.1	172.8	172.8	0	0	0	0	110.7	L428 L432 T506 I507 K508 I513 F514 L741 V745	L428-V510 HydrophobicContact CD1-CG1 3.99Å; L428-V510 HydrophobicContact CD1-CG2 4.07Å; L428-V510 HydrophobicContact CD2-CG1 4.28Å; L428-V510 HydrophobicContact CG-CG1 4.11Å; L432-V510 HydrophobicContact CD1-CG1 4.19Å; L432-V510 HydrophobicContact CD2-CG1 4.09Å; T506-V510 WeakPolarHBondContact O-CG2 3.15Å; T506-V510 PolarHBondContact O-N 2.94Å; I507-V510 WeakPolarHBondContact O-CB 3.49Å; I507-V510 PolarHBondContact O-N 3.34Å; I507-V510 VanDerWaalsContact O-N 3.13Å; K508-V510 VanDerWaalsContact C-N 3.32Å; K508-V510 PolarHBondContact O-N 3.2Å; V510-I513 PolarHBondContact O-N 3.1Å; V510-F514 HydrophobicContact CG1-CD2 3.9Å; V510-F514 HydrophobicContact CG1-CE2 3.56Å; V510-F514 VanDerWaalsContact O-CD2 3.3Å; V510-F514 WeakPolarHBondContact O-CD2 3.42Å; V510-F514 PolarHBondContact O-N 3.09Å; V510-L741 HydrophobicContact CG2-CD2 4.47Å; V510-V745 HydrophobicContact CG2-CG2 3.52Å
511	A	87.9	Confident	83.6	Confident	0 Å²	0	39.6 Å²	39.6	0%	0	19%	0.19	C	C	.	.	H	α-helix	trans	-61.8	-43.4	177	0	0	0	0	0	111.8	I507 K508 I513 F514 L515 F592 M595	I507-A511 PolarHBondContact O-N 3.45Å; K508-A511 PolarHBondContact O-N 3.13Å; A511-I513 PolarHBondContact O-N 3.27Å; A511-F514 PolarHBondContact O-N 2.74Å; A511-L515 VanDerWaalsContact O-CG 3.32Å; A511-L515 WeakPolarHBondContact O-CG 3.49Å; A511-L515 PolarHBondContact O-N 2.97Å; A511-F592 HydrophobicContact CB-CD1 4.17Å; A511-M595 HydrophobicContact CB-SD 4.3Å
512	D	86.6	Confident	82.8	Confident	38 Å²	38	34.9 Å²	34.9	20%	0.203	17%	0.172	C	C	.	.	H	α-helix	trans	-62	-39.7	176.8	-85.8	-31	0	0	0	112.4	K508 F514 L515 E516 K596	K508-D512 WeakPolarHBondContact O-CB 3.47Å; K508-D512 PolarHBondContact O-N 3.35Å; D512-F514 VanDerWaalsContact C-N 3.35Å; D512-F514 PolarHBondContact O-N 3.27Å; D512-L515 PolarHBondContact O-N 2.96Å; D512-L515 VanDerWaalsContact O-N 3.12Å; D512-E516 WeakPolarHBondContact O-CB 3.31Å; D512-E516 WeakPolarHBondContact O-CG 3.3Å; D512-E516 PolarHBondContact O-N 2.99Å; D512-K596 WeakPolarHBondContact OD1-CD 3.3Å; D512-K596 WeakPolarHBondContact OD1-CE 3.48Å; D512-K596 IonicContact OD1-NZ 3.23Å; D512-K596 PolarHBondContact OD1-NZ 2.97Å; D512-K596 IonicContact OD2-NZ 3.43Å; D512-K596 PolarHBondContact OD2-NZ 3.13Å
513	I	82.6	Confident	82.1	Confident	16 Å²	16	30.3 Å²	30.3	8%	0.082	16%	0.155	C	C	.	.	H	α-helix	trans	-62.6	-40.2	174	-71.2	165.8	0	0	0	111.8	S509 V510 A511 L515 K517 L520 V745 L749	S509-I513 WeakPolarHBondContact O-CD1 3.13Å; S509-I513 VanDerWaalsContact O-CG1 3.29Å; S509-I513 WeakPolarHBondContact O-CG1 3.44Å; S509-I513 PolarHBondContact O-N 3.33Å; S509-I513 VanDerWaalsContact O-N 3.13Å; V510-I513 PolarHBondContact O-N 3.1Å; A511-I513 PolarHBondContact O-N 3.27Å; I513-L515 VanDerWaalsContact C-N 3.31Å; I513-L515 PolarHBondContact O-N 2.99Å; I513-K517 WeakPolarHBondContact O-CB 3.43Å; I513-K517 PolarHBondContact O-N 3.43Å; I513-L520 HydrophobicContact CG2-CD1 4.46Å; I513-V745 HydrophobicContact CD1-CG1 3.39Å; I513-V745 HydrophobicContact CD1-CG2 4.42Å; I513-L749 HydrophobicContact CD1-CD1 4.04Å
514	F	83.5	Confident	81.4	Confident	1 Å²	1	31.7 Å²	31.7	0%	0.004	16%	0.164	C	C	.	.	H	α-helix	trans	-70.9	-23.5	175	-71.3	-51.8	0	0	0	113.5	T425 L428 N429 L432 V510 A511 D512 L520 R521 F592	T425-F514 HydrophobicContact CG2-CE1 4.35Å; L428-F514 HydrophobicContact CB-CZ 4.29Å; L428-F514 HydrophobicContact CD2-CE1 4.14Å; L428-F514 HydrophobicContact CD2-CE2 4.03Å; L428-F514 HydrophobicContact CD2-CZ 3.54Å; L428-F514 HydrophobicContact CG-CE2 4.11Å; L428-F514 HydrophobicContact CG-CZ 3.75Å; N429-F514 VanDerWaalsContact ND2-CZ 3.34Å; N429-F514 WeakPolarHBondContact ND2-CZ 3.42Å; L432-F514 HydrophobicContact CD2-CE2 4.24Å; V510-F514 HydrophobicContact CG1-CD2 3.9Å; V510-F514 HydrophobicContact CG1-CE2 3.56Å; V510-F514 VanDerWaalsContact O-CD2 3.3Å; V510-F514 WeakPolarHBondContact O-CD2 3.42Å; V510-F514 PolarHBondContact O-N 3.09Å; A511-F514 PolarHBondContact O-N 2.74Å; D512-F514 VanDerWaalsContact C-N 3.35Å; D512-F514 PolarHBondContact O-N 3.27Å; F514-L520 WeakPolarHBondContact CE1-O 3.38Å; F514-R521 HydrophobicContact CB-CG 4.17Å; F514-R521 HydrophobicContact CD1-CG 4.13Å; F514-R521 VanDerWaalsContact O-CD 3.24Å; F514-R521 WeakPolarHBondContact O-CD 3.3Å; F514-R521 WeakPolarHBondContact O-CG 3.41Å; F514-F592 HydrophobicContact CB-CD1 4.18Å; F514-F592 HydrophobicContact CB-CD2 4.23Å; F514-F592 HydrophobicContact CB-CE1 4.06Å; F514-F592 HydrophobicContact CB-CE2 4.11Å; F514-F592 HydrophobicContact CB-CG 4.27Å; F514-F592 HydrophobicContact CB-CZ 4.03Å; F514-F592 HydrophobicContact CD2-CD1 4.15Å; F514-F592 AromaticContact CD2-CE1 3.42Å; F514-F592 HydrophobicContact CD2-CE1 3.42Å; F514-F592 VanDerWaalsContact CD2-CE1 3.42Å; F514-F592 AromaticContact CD2-CZ 3.67Å; F514-F592 HydrophobicContact CD2-CZ 3.67Å; F514-F592 HydrophobicContact CE2-CE1 4.13Å; F514-F592 HydrophobicContact CE2-CZ 4.28Å; F514-F592 HydrophobicContact CG-CE1 4.04Å; F514-F592 HydrophobicContact CG-CE2 4.45Å; F514-F592 AromaticContact CG-CZ 3.95Å; F514-F592 HydrophobicContact CG-CZ 3.95Å
515	L	82.8	Confident	80.6	Confident	32 Å²	32	32.1 Å²	32.1	17%	0.168	17%	0.167	C	C	.	.	H	α-helix	trans	-79.9	-45.3	173.6	-70.2	169	0	0	0	112.1	A511 D512 I513 K589 F592 E593 K596	A511-L515 VanDerWaalsContact O-CG 3.32Å; A511-L515 WeakPolarHBondContact O-CG 3.49Å; A511-L515 PolarHBondContact O-N 2.97Å; D512-L515 PolarHBondContact O-N 2.96Å; D512-L515 VanDerWaalsContact O-N 3.12Å; I513-L515 VanDerWaalsContact C-N 3.31Å; I513-L515 PolarHBondContact O-N 2.99Å; L515-K589 HydrophobicContact CD2-CD 4.39Å; L515-K589 HydrophobicContact CD2-CG 3.87Å; L515-F592 HydrophobicContact CD1-CB 4.31Å; L515-F592 HydrophobicContact CD2-CB 3.82Å; L515-F592 HydrophobicContact CG-CB 3.91Å; L515-E593 HydrophobicContact CD1-CG 4.4Å; L515-E593 HydrophobicContact CD2-CG 3.96Å; L515-K596 HydrophobicContact CD1-CD 4.49Å
516	E	80.7	Confident	79.9	Confident	142 Å²	142	30 Å²	30	66%	0.664	16%	0.157	S	C	*	.	H	α-helix	trans	-70.5	-42.2	179.5	-74.3	-177	178.8	0	0	113.2	D512 P518	D512-E516 WeakPolarHBondContact O-CB 3.31Å; D512-E516 WeakPolarHBondContact O-CG 3.3Å; D512-E516 PolarHBondContact O-N 2.99Å; E516-P518 VanDerWaalsContact C-CD 3.48Å; E516-P518 WeakPolarHBondContact O-CD 3.36Å
517	K	77	Confident	79.1	Confident	57 Å²	57	29.8 Å²	29.8	25%	0.248	16%	0.155	C	C	.	.			trans	-108.8	80.2	-174.2	-63.6	-172.4	177.2	-176.7	0	110.2	I513 Q519 L520 L749	I513-K517 WeakPolarHBondContact O-CB 3.43Å; I513-K517 PolarHBondContact O-N 3.43Å; K517-Q519 PolarHBondContact O-N 2.69Å; K517-L520 HydrophobicContact CB-CB 4.21Å; K517-L520 HydrophobicContact CB-CD1 3.98Å; K517-L520 HydrophobicContact CB-CG 4.02Å; K517-L520 HydrophobicContact CD-CD1 3.63Å; K517-L520 HydrophobicContact CD-CG 4.41Å; K517-L520 HydrophobicContact CG-CD1 4.44Å; K517-L520 PolarHBondContact O-N 2.9Å; K517-L749 VanDerWaalsContact NZ-CD2 3.28Å
518	P	71.4	Confident	78.3	Confident	57 Å²	57	31.1 Å²	31.1	37%	0.37	16%	0.162	S	C	.	.	G	3₁₀ helix	trans	-59.5	-22.8	-173.2	24	-36.2	0	0	0	114.3	E516 R521	E516-P518 VanDerWaalsContact C-CD 3.48Å; E516-P518 WeakPolarHBondContact O-CD 3.36Å; P518-R521 PolarHBondContact O-NE 3.26Å; P518-R521 VanDerWaalsContact O-NE 3.14Å
519	Q	65.8	Low	77.5	Confident	90 Å²	90	30 Å²	30	42%	0.421	16%	0.157	S	C	.	.	G	3₁₀ helix	trans	-78.8	-24.9	178.7	-63.5	162.2	39.6	0	0	113.2	K517 R521 Q525 W779	K517-Q519 PolarHBondContact O-N 2.69Å; Q519-R521 VanDerWaalsContact C-N 3.25Å; Q519-R521 PolarHBondContact O-N 2.84Å; Q519-Q525 PolarHBondContact O-NE2 3.34Å; Q519-W779 VanDerWaalsContact OE1-CH2 3.25Å; Q519-W779 VanDerWaalsContact OE1-CZ2 3.27Å
520	L	70.4	Confident	76.8	Confident	8 Å²	8	27.3 Å²	27.3	4%	0.042	14%	0.138	C	C	.	.	G	3₁₀ helix	trans	-82.6	-1.3	174.9	-64.8	-174.9	0	0	0	112.7	E421 T425 I513 F514 K517 L748 T752	E421-L520 HydrophobicContact CB-CD2 4.02Å; E421-L520 HydrophobicContact CG-CD2 3.77Å; T425-L520 WeakPolarHBondContact CG2-O 3.3Å; T425-L520 PolarHBondContact OG1-O 2.61Å; I513-L520 HydrophobicContact CG2-CD1 4.46Å; F514-L520 WeakPolarHBondContact CE1-O 3.38Å; K517-L520 HydrophobicContact CB-CB 4.21Å; K517-L520 HydrophobicContact CB-CD1 3.98Å; K517-L520 HydrophobicContact CB-CG 4.02Å; K517-L520 HydrophobicContact CD-CD1 3.63Å; K517-L520 HydrophobicContact CD-CG 4.41Å; K517-L520 HydrophobicContact CG-CD1 4.44Å; K517-L520 PolarHBondContact O-N 2.9Å; L520-L748 HydrophobicContact CD1-CD2 4.3Å; L520-L748 HydrophobicContact CD1-CG 4.42Å; L520-L748 HydrophobicContact CD2-CD1 4.32Å; L520-T752 HydrophobicContact CD2-CG2 4.3Å
521	R	74.4	Confident	76.1	Confident	25 Å²	25	30.4 Å²	30.4	9%	0.094	15%	0.153	C	C	.	.	S	Bend	trans	-74.8	143.9	172.9	-65.5	-175.3	-65.6	-142.4	6.6	110.5	F514 P518 Q519 E523 S524 Q525	F514-R521 HydrophobicContact CB-CG 4.17Å; F514-R521 HydrophobicContact CD1-CG 4.13Å; F514-R521 VanDerWaalsContact O-CD 3.24Å; F514-R521 WeakPolarHBondContact O-CD 3.3Å; F514-R521 WeakPolarHBondContact O-CG 3.41Å; P518-R521 PolarHBondContact O-NE 3.26Å; P518-R521 VanDerWaalsContact O-NE 3.14Å; Q519-R521 VanDerWaalsContact C-N 3.25Å; Q519-R521 PolarHBondContact O-N 2.84Å; R521-E523 PolarHBondContact O-N 2.64Å; R521-E523 VanDerWaalsContact O-N 3.17Å; R521-S524 PolarHBondContact O-N 2.9Å; R521-Q525 PolarHBondContact O-N 3.42Å
522	L	75.2	Confident	75.3	Confident	6 Å²	6	32.5 Å²	32.5	3%	0.031	16%	0.162	C	C	.	.	H	α-helix	trans	-58.9	-34.2	-176.6	-167.9	69.6	0	0	0	112.5	L209 F268 L422 T425 F426 S524 Q525 L526	L209-L522 HydrophobicContact CD2-CD2 3.31Å; F268-L522 HydrophobicContact CZ-CD2 4.31Å; L422-L522 HydrophobicContact CD1-CD1 4.31Å; T425-L522 HydrophobicContact CG2-CB 3.76Å; T425-L522 HydrophobicContact CG2-CD1 3.82Å; T425-L522 HydrophobicContact CG2-CG 4.41Å; F426-L522 HydrophobicContact CD1-CD1 3.76Å; F426-L522 HydrophobicContact CD1-CD2 4.03Å; F426-L522 HydrophobicContact CD2-CD1 3.95Å; F426-L522 HydrophobicContact CE1-CD1 3.71Å; F426-L522 HydrophobicContact CE1-CD2 3.68Å; F426-L522 HydrophobicContact CE1-CG 4.31Å; F426-L522 HydrophobicContact CE2-CD1 3.94Å; F426-L522 HydrophobicContact CG-CD1 3.87Å; F426-L522 HydrophobicContact CZ-CD1 3.82Å; F426-L522 HydrophobicContact CZ-CD2 4.35Å; L522-S524 VanDerWaalsContact C-N 3.33Å; L522-S524 PolarHBondContact O-N 3.12Å; L522-Q525 PolarHBondContact O-N 3.35Å; L522-L526 HydrophobicContact CD1-CD1 4.25Å; L522-L526 HydrophobicContact CD1-CD2 4.43Å; L522-L526 HydrophobicContact CD1-CG 4.05Å; L522-L526 HydrophobicContact CD2-CD1 3.9Å; L522-L526 HydrophobicContact CG-CD1 3.67Å; L522-L526 HydrophobicContact CG-CG 3.88Å; L522-L526 WeakPolarHBondContact O-CB 3.24Å; L522-L526 VanDerWaalsContact O-CG 3.29Å; L522-L526 WeakPolarHBondContact O-CG 3.5Å; L522-L526 PolarHBondContact O-N 3.11Å
523	E	73.2	Confident	74.5	Confident	6 Å²	6	30.7 Å²	30.7	3%	0.028	15%	0.153	C	C	.	.	H	α-helix	trans	-54	-45.3	172	177.4	173.2	-136.2	0	0	112.8	R521 D527 R584 L585 H588	R521-E523 PolarHBondContact O-N 2.64Å; R521-E523 VanDerWaalsContact O-N 3.17Å; E523-D527 WeakPolarHBondContact O-CB 3.48Å; E523-D527 VanDerWaalsContact O-CG 3.27Å; E523-D527 PolarHBondContact O-N 3.41Å; E523-R584 WeakPolarHBondContact OE1-CG 3.5Å; E523-R584 IonicContact OE1-CZ 3.93Å; E523-R584 IonicContact OE1-NE 3.8Å; E523-R584 IonicContact OE1-NH1 3.2Å; E523-R584 PolarHBondContact OE1-NH1 3.43Å; E523-L585 WeakPolarHBondContact OE2-CD1 3.44Å; E523-H588 IonicContact OE1-CE1 2.59Å; E523-H588 IonicContact OE1-ND1 3.45Å; E523-H588 IonicContact OE2-CE1 2.62Å; E523-H588 PolarHBondContact OE2-CE1 3.16Å; E523-H588 IonicContact OE2-CG 3.22Å; E523-H588 IonicContact OE2-ND1 2.65Å; E523-H588 PolarHBondContact OE2-ND1 3.41Å
524	S	73.9	Confident	74	Confident	31 Å²	31	30 Å²	30	22%	0.217	15%	0.15	C	C	.	.	H	α-helix	trans	-71.4	-40.8	-179.6	-162.1	0	0	0	0	111.5	R521 L522 D527 D528	R521-S524 PolarHBondContact O-N 2.9Å; L522-S524 VanDerWaalsContact C-N 3.33Å; L522-S524 PolarHBondContact O-N 3.12Å; S524-D527 PolarHBondContact O-N 3.47Å; S524-D528 PolarHBondContact O-N 3.21Å; S524-D528 VanDerWaalsContact O-N 3.12Å
525	Q	75.1	Confident	73.5	Confident	11 Å²	11	32.4 Å²	32.4	5%	0.051	16%	0.162	C	C	.	.	H	α-helix	trans	-67.1	-36.9	179.8	-66.2	-63.8	-43.5	0	0	112.1	L422 Q519 R521 L522 F529	L422-Q525 HydrophobicContact CB-CB 4.43Å; L422-Q525 HydrophobicContact CD1-CB 3.66Å; Q519-Q525 PolarHBondContact O-NE2 3.34Å; R521-Q525 PolarHBondContact O-N 3.42Å; L522-Q525 PolarHBondContact O-N 3.35Å; Q525-F529 WeakPolarHBondContact O-CB 3.22Å; Q525-F529 PolarHBondContact O-N 2.98Å
526	L	73.6	Confident	72.8	Confident	4 Å²	4	31.4 Å²	31.4	2%	0.021	16%	0.156	C	C	.	.	H	α-helix	trans	-78	-30.8	173.7	-64.9	-179.1	0	0	0	113.1	L213 L216 L422 F426 L522 D528 F529 P530	L213-L526 HydrophobicContact CD2-CD1 4.28Å; L216-L526 HydrophobicContact CD1-CB 3.98Å; L216-L526 HydrophobicContact CD1-CD2 4.03Å; L216-L526 WeakPolarHBondContact CD1-O 3.46Å; L216-L526 HydrophobicContact CD2-CD2 3.95Å; L216-L526 HydrophobicContact CG-CD2 4.43Å; L422-L526 HydrophobicContact CD1-CD2 3.86Å; F426-L526 HydrophobicContact CE2-CD2 4.03Å; F426-L526 HydrophobicContact CZ-CD2 3.8Å; L522-L526 HydrophobicContact CD1-CD1 4.25Å; L522-L526 HydrophobicContact CD1-CD2 4.43Å; L522-L526 HydrophobicContact CD1-CG 4.05Å; L522-L526 HydrophobicContact CD2-CD1 3.9Å; L522-L526 HydrophobicContact CG-CD1 3.67Å; L522-L526 HydrophobicContact CG-CG 3.88Å; L522-L526 WeakPolarHBondContact O-CB 3.24Å; L522-L526 VanDerWaalsContact O-CG 3.29Å; L522-L526 WeakPolarHBondContact O-CG 3.5Å; L522-L526 PolarHBondContact O-N 3.11Å; L526-D528 VanDerWaalsContact C-N 3.25Å; L526-D528 PolarHBondContact O-N 2.74Å; L526-F529 PolarHBondContact O-N 3.09Å; L526-P530 WeakPolarHBondContact O-CD 3.23Å
527	D	72.9	Confident	72.4	Confident	13 Å²	13	24.6 Å²	24.6	7%	0.07	13%	0.125	C	C	.	.	H	α-helix	trans	-62.6	-35.4	173.5	-93.9	27.5	0	0	0	112	K219 E523 S524 N581	K219-D527 IonicContact NZ-OD1 2.71Å; K219-D527 PolarHBondContact NZ-OD1 2.95Å; K219-D527 IonicContact NZ-OD2 2.62Å; K219-D527 PolarHBondContact NZ-OD2 2.99Å; E523-D527 WeakPolarHBondContact O-CB 3.48Å; E523-D527 VanDerWaalsContact O-CG 3.27Å; E523-D527 PolarHBondContact O-N 3.41Å; S524-D527 PolarHBondContact O-N 3.47Å; D527-N581 PolarHBondContact OD2-ND2 2.88Å
528	D	72	Confident	72.2	Confident	29 Å²	29	22.5 Å²	22.5	16%	0.155	12%	0.116	C	C	.	.	H	α-helix	trans	-94.1	-12.9	179.4	-61.2	-24.6	0	0	0	113.3	S524 L526 E531 H532 K577	S524-D528 PolarHBondContact O-N 3.21Å; S524-D528 VanDerWaalsContact O-N 3.12Å; L526-D528 VanDerWaalsContact C-N 3.25Å; L526-D528 PolarHBondContact O-N 2.74Å; D528-E531 WeakPolarHBondContact O-CB 3.36Å; D528-E531 PolarHBondContact O-N 3.37Å; D528-H532 PolarHBondContact O-N 3.2Å; D528-H532 PolarHBondContact O-ND1 3.04Å; D528-K577 WeakPolarHBondContact OD1-CE 3.3Å; D528-K577 IonicContact OD1-NZ 2.96Å; D528-K577 PolarHBondContact OD1-NZ 3.14Å
529	F	74.4	Confident	72.3	Confident	6 Å²	6	22.9 Å²	22.9	3%	0.026	11%	0.112	C	C	.	.	H	α-helix	trans	-56.4	-46	-174.2	175.6	-118.5	0	0	0	114.4	L216 L220 F260 Y418 L422 Q525 L526 E531 H532 L533	L216-F529 HydrophobicContact CD1-CB 4.16Å; L216-F529 HydrophobicContact CD1-CD1 3.73Å; L216-F529 HydrophobicContact CD1-CG 4.42Å; L216-F529 HydrophobicContact CD2-CD1 4.24Å; L216-F529 HydrophobicContact CG-CD1 4.49Å; L220-F529 HydrophobicContact CD2-CD1 4.42Å; L220-F529 HydrophobicContact CD2-CE1 4.44Å; F260-F529 HydrophobicContact CE1-CE1 4.28Å; F260-F529 HydrophobicContact CE1-CZ 4.14Å; F260-F529 HydrophobicContact CE2-CE1 4.12Å; F260-F529 AromaticContact CZ-CE1 3.67Å; F260-F529 HydrophobicContact CZ-CE1 3.67Å; F260-F529 AromaticContact CZ-CZ 3.68Å; F260-F529 HydrophobicContact CZ-CZ 3.68Å; Y418-F529 HydrophobicContact CE1-CE2 4.49Å; L422-F529 HydrophobicContact CD2-CD2 3.33Å; L422-F529 HydrophobicContact CD2-CE2 3.64Å; L422-F529 HydrophobicContact CD2-CG 4.09Å; Q525-F529 WeakPolarHBondContact O-CB 3.22Å; Q525-F529 PolarHBondContact O-N 2.98Å; L526-F529 PolarHBondContact O-N 3.09Å; F529-E531 VanDerWaalsContact C-N 3.25Å; F529-E531 PolarHBondContact O-N 2.95Å; F529-H532 PolarHBondContact O-N 3.11Å; F529-H532 VanDerWaalsContact O-N 3.14Å; F529-L533 HydrophobicContact CE1-CD1 3.85Å; F529-L533 HydrophobicContact CZ-CD1 3.92Å; F529-L533 HydrophobicContact CZ-CG 4.28Å; F529-L533 WeakPolarHBondContact O-CB 3.3Å; F529-L533 PolarHBondContact O-N 3.09Å
530	P	73.3	Confident	72.6	Confident	1 Å²	1	18.6 Å²	18.6	1%	0.006	9%	0.092	C	C	.	.	H	α-helix	trans	-62.9	-30.3	-179.4	-22.6	34.6	0	0	0	113.4	L216 K219 L220 T223 L526 L533 V534 F573	L216-P530 HydrophobicContact CD1-CG 4.39Å; K219-P530 HydrophobicContact CB-CG 4.27Å; L220-P530 HydrophobicContact CD2-CB 4.12Å; L220-P530 HydrophobicContact CD2-CG 3.95Å; L220-P530 HydrophobicContact CG-CG 4.38Å; T223-P530 HydrophobicContact CG2-CB 3.9Å; L526-P530 WeakPolarHBondContact O-CD 3.23Å; P530-L533 PolarHBondContact O-N 3.32Å; P530-V534 WeakPolarHBondContact O-CG2 3.48Å; P530-V534 PolarHBondContact O-N 3Å; P530-F573 HydrophobicContact CB-CE1 3.96Å; P530-F573 HydrophobicContact CB-CZ 3.94Å
531	E	72.4	Confident	72.8	Confident	65 Å²	65	18.2 Å²	18.2	30%	0.304	9%	0.09	S	C	.	.	H	α-helix	trans	-68.4	-42.6	175.2	-169.4	179.8	161	0	0	111	D528 F529 N535 F573	D528-E531 WeakPolarHBondContact O-CB 3.36Å; D528-E531 PolarHBondContact O-N 3.37Å; F529-E531 VanDerWaalsContact C-N 3.25Å; F529-E531 PolarHBondContact O-N 2.95Å; E531-N535 WeakPolarHBondContact O-CB 3.47Å; E531-N535 PolarHBondContact O-N 3.11Å; E531-N535 VanDerWaalsContact O-N 3.1Å; E531-N535 PolarHBondContact O-ND2 3.19Å; E531-F573 HydrophobicContact CB-CD2 3.8Å; E531-F573 HydrophobicContact CB-CE1 4.36Å; E531-F573 HydrophobicContact CB-CE2 3.49Å; E531-F573 VanDerWaalsContact CB-CE2 3.49Å; E531-F573 HydrophobicContact CB-CG 4.4Å; E531-F573 HydrophobicContact CB-CZ 3.81Å; E531-F573 HydrophobicContact CG-CD2 3.76Å; E531-F573 HydrophobicContact CG-CE2 3.72Å
532	H	69.7	Low	72.9	Confident	44 Å²	44	21.5 Å²	21.5	20%	0.204	11%	0.107	C	C	.	.	H	α-helix	trans	-65.4	-39.9	175	-67.3	79.5	0	0	0	111.4	R419 D528 F529 N535 Y536	R419-H532 VanDerWaalsContact CD-NE2 3.34Å; R419-H532 WeakPolarHBondContact CD-NE2 3.47Å; R419-H532 PolarHBondContact NE-NE2 3.13Å; D528-H532 PolarHBondContact O-N 3.2Å; D528-H532 PolarHBondContact O-ND1 3.04Å; F529-H532 PolarHBondContact O-N 3.11Å; F529-H532 VanDerWaalsContact O-N 3.14Å; H532-N535 PolarHBondContact O-N 3.43Å; H532-Y536 WeakPolarHBondContact O-CB 3.4Å; H532-Y536 PolarHBondContact O-N 2.95Å
533	L	70.9	Confident	72.9	Confident	0 Å²	0	22.6 Å²	22.6	0%	0	11%	0.114	C	C	.	.	H	α-helix	trans	-62	-47.2	178.9	-147.9	-178.1	0	0	0	111.6	L220 F224 V282 F529 P530 N535 Y536 Y537	L220-L533 HydrophobicContact CD2-CD1 3.97Å; F224-L533 HydrophobicContact CE2-CD1 4.24Å; F224-L533 HydrophobicContact CZ-CD1 4.17Å; F224-L533 HydrophobicContact CZ-CD2 4.17Å; V282-L533 HydrophobicContact CG1-CD2 4.05Å; V282-L533 HydrophobicContact CG2-CD1 4.39Å; V282-L533 HydrophobicContact CG2-CG 4.49Å; F529-L533 HydrophobicContact CE1-CD1 3.85Å; F529-L533 HydrophobicContact CZ-CD1 3.92Å; F529-L533 HydrophobicContact CZ-CG 4.28Å; F529-L533 WeakPolarHBondContact O-CB 3.3Å; F529-L533 PolarHBondContact O-N 3.09Å; P530-L533 PolarHBondContact O-N 3.32Å; L533-N535 PolarHBondContact O-N 2.71Å; L533-Y536 PolarHBondContact O-N 3.27Å; L533-Y537 HydrophobicContact CD2-CD2 3.48Å; L533-Y537 VanDerWaalsContact CD2-CD2 3.48Å; L533-Y537 HydrophobicContact CD2-CE1 4.27Å; L533-Y537 HydrophobicContact CD2-CE2 3.13Å; L533-Y537 HydrophobicContact CD2-CG 4.25Å; L533-Y537 PolarHBondContact O-N 3.06Å; L533-Y537 VanDerWaalsContact O-N 3.14Å
534	V	71.6	Confident	72.9	Confident	3 Å²	3	24.4 Å²	24.4	2%	0.018	12%	0.12	C	C	.	.	H	α-helix	trans	-62.6	-41.3	175	168.2	0	0	0	0	111.7	F224 P530 H538 F562 L565 K566	F224-V534 HydrophobicContact CE1-CG2 4.11Å; F224-V534 HydrophobicContact CZ-CG2 4.39Å; P530-V534 WeakPolarHBondContact O-CG2 3.48Å; P530-V534 PolarHBondContact O-N 3Å; V534-H538 WeakPolarHBondContact O-CB 3.2Å; V534-H538 PolarHBondContact O-N 3.16Å; V534-F562 HydrophobicContact CG1-CD1 4.43Å; V534-L565 HydrophobicContact CG1-CB 3.85Å; V534-L565 HydrophobicContact CG2-CB 4.43Å; V534-K566 HydrophobicContact CG1-CB 4.24Å
535	N	72.1	Confident	73	Confident	51 Å²	51	25.5 Å²	25.5	27%	0.273	12%	0.122	S	C	.	.	H	α-helix	trans	-68	-40.3	178.2	-79.3	-57.7	0	0	0	112.8	E531 H532 L533 H538 Q539	E531-N535 WeakPolarHBondContact O-CB 3.47Å; E531-N535 PolarHBondContact O-N 3.11Å; E531-N535 VanDerWaalsContact O-N 3.1Å; E531-N535 PolarHBondContact O-ND2 3.19Å; H532-N535 PolarHBondContact O-N 3.43Å; L533-N535 PolarHBondContact O-N 2.71Å; N535-H538 PolarHBondContact O-N 3.07Å; N535-Q539 PolarHBondContact O-N 2.99Å
536	Y	69.7	Low	73	Confident	10 Å²	10	30.7 Å²	30.7	4%	0.039	15%	0.15	C	C	.	.	H	α-helix	trans	-58.7	-53.3	175	169.1	-107.6	0	0	0	111.3	V282 L417 Y418 H532 L533 H538 Q539 L540	V282-Y536 HydrophobicContact CG1-CE1 4.49Å; L417-Y536 HydrophobicContact CB-CD2 4.22Å; Y418-Y536 HydrophobicContact CD2-CD2 4.31Å; Y418-Y536 HydrophobicContact CD2-CE2 4.36Å; Y418-Y536 AromaticContact CE2-CD1 4Å; Y418-Y536 HydrophobicContact CE2-CD1 4Å; Y418-Y536 AromaticContact CE2-CD2 3.63Å; Y418-Y536 HydrophobicContact CE2-CD2 3.63Å; Y418-Y536 AromaticContact CE2-CE1 3.93Å; Y418-Y536 HydrophobicContact CE2-CE1 3.93Å; Y418-Y536 AromaticContact CE2-CE2 3.58Å; Y418-Y536 HydrophobicContact CE2-CE2 3.58Å; Y418-Y536 AromaticContact CE2-CG 3.83Å; Y418-Y536 HydrophobicContact CE2-CG 3.83Å; Y418-Y536 AromaticContact CE2-CZ 3.71Å; Y418-Y536 AromaticContact CZ-CD1 3.84Å; Y418-Y536 AromaticContact CZ-CE1 3.99Å; Y418-Y536 AromaticContact CZ-CG 3.94Å; Y418-Y536 WeakPolarHBondContact OH-CD1 3.26Å; Y418-Y536 WeakPolarHBondContact OH-CE1 3.49Å; H532-Y536 WeakPolarHBondContact O-CB 3.4Å; H532-Y536 PolarHBondContact O-N 2.95Å; L533-Y536 PolarHBondContact O-N 3.27Å; Y536-H538 PolarHBondContact O-N 3.41Å; Y536-Q539 PolarHBondContact O-N 3.43Å; Y536-Q539 VanDerWaalsContact O-N 3.16Å; Y536-L540 HydrophobicContact CE1-CD1 4.01Å; Y536-L540 HydrophobicContact CE2-CD1 4.41Å; Y536-L540 WeakPolarHBondContact O-CB 3.42Å; Y536-L540 PolarHBondContact O-N 3.2Å
537	Y	70.5	Confident	72.9	Confident	0 Å²	0	35.4 Å²	35.4	0%	0	17%	0.168	C	C	.	.	H	α-helix	trans	-61.1	-44.5	177.9	-72	-33	0	0	0	112.5	V282 Y285 L286 L533 Q539 L540 L541 F562	V282-Y537 VanDerWaalsContact C-OH 3.25Å; V282-Y537 HydrophobicContact CG1-CE1 3.51Å; V282-Y537 VanDerWaalsContact CG1-CZ 3.48Å; V282-Y537 WeakPolarHBondContact CG1-OH 3.29Å; V282-Y537 PolarHBondContact O-OH 2.95Å; Y285-Y537 HydrophobicContact CD1-CE2 4.26Å; Y285-Y537 HydrophobicContact CE1-CE2 4.38Å; L286-Y537 HydrophobicContact CB-CD1 4.37Å; L286-Y537 HydrophobicContact CB-CE1 3.64Å; L286-Y537 HydrophobicContact CD1-CD1 3.79Å; L286-Y537 HydrophobicContact CD1-CD2 4.27Å; L286-Y537 HydrophobicContact CD1-CE1 3.82Å; L286-Y537 HydrophobicContact CD1-CE2 4.24Å; L286-Y537 HydrophobicContact CD1-CG 4Å; L286-Y537 HydrophobicContact CD2-CD1 3.71Å; L286-Y537 HydrophobicContact CD2-CE1 3.78Å; L286-Y537 HydrophobicContact CG-CD1 4.15Å; L286-Y537 HydrophobicContact CG-CE1 3.92Å; L533-Y537 HydrophobicContact CD2-CD2 3.48Å; L533-Y537 VanDerWaalsContact CD2-CD2 3.48Å; L533-Y537 HydrophobicContact CD2-CE1 4.27Å; L533-Y537 HydrophobicContact CD2-CE2 3.13Å; L533-Y537 HydrophobicContact CD2-CG 4.25Å; L533-Y537 PolarHBondContact O-N 3.06Å; L533-Y537 VanDerWaalsContact O-N 3.14Å; Y537-Q539 VanDerWaalsContact C-N 3.25Å; Y537-Q539 PolarHBondContact O-N 3.1Å; Y537-L540 PolarHBondContact O-N 3.24Å; Y537-L541 VanDerWaalsContact O-CB 3.26Å; Y537-L541 WeakPolarHBondContact O-CB 3.27Å; Y537-L541 VanDerWaalsContact O-CD1 3.29Å; Y537-L541 WeakPolarHBondContact O-CD1 3.44Å; Y537-L541 WeakPolarHBondContact O-CG 3.34Å; Y537-L541 PolarHBondContact O-N 3.13Å; Y537-F562 HydrophobicContact CD2-CD1 4.27Å; Y537-F562 AromaticContact CD2-CE1 3.39Å; Y537-F562 HydrophobicContact CD2-CE1 3.39Å; Y537-F562 HydrophobicContact CD2-CE2 4.28Å; Y537-F562 AromaticContact CD2-CZ 3.39Å; Y537-F562 HydrophobicContact CD2-CZ 3.39Å; Y537-F562 HydrophobicContact CE2-CE1 4.27Å; Y537-F562 AromaticContact CE2-CZ 3.96Å; Y537-F562 HydrophobicContact CE2-CZ 3.96Å; Y537-F562 HydrophobicContact CG-CE1 4.1Å; Y537-F562 HydrophobicContact CG-CZ 4.14Å
538	H	73.7	Confident	72.9	Confident	13 Å²	13	34.8 Å²	34.8	6%	0.06	17%	0.165	C	C	.	.	H	α-helix	trans	-56.4	-41.3	176.2	174.1	101.7	0	0	0	111.6	V534 N535 Y536 H542 D563 K566	V534-H538 WeakPolarHBondContact O-CB 3.2Å; V534-H538 PolarHBondContact O-N 3.16Å; N535-H538 PolarHBondContact O-N 3.07Å; Y536-H538 PolarHBondContact O-N 3.41Å; H538-H542 WeakPolarHBondContact O-CB 3.48Å; H538-H542 PolarHBondContact O-N 3.06Å; H538-D563 IonicContact CE1-OD1 3.28Å; H538-D563 PolarHBondContact CE1-OD1 3.18Å; H538-D563 VanDerWaalsContact CE1-OD1 3.28Å; H538-D563 IonicContact ND1-OD1 2.77Å; H538-K566 HydrophobicContact CB-CD 4.15Å; H538-K566 PolarHBondContact CD2-NZ 3.37Å; H538-K566 PolarHBondContact NE2-NZ 3.29Å
539	Q	72.8	Confident	73	Confident	64 Å²	64	35.7 Å²	35.7	30%	0.299	17%	0.168	S	C	.	.	H	α-helix	trans	-69.9	-45.3	177.2	-174.8	62.1	24.3	0	0	112.6	Y414 L417 N535 Y536 Y537 H542 T543	Y414-Q539 HydrophobicContact CE1-CG 3.98Å; Y414-Q539 PolarHBondContact OH-NE2 3.13Å; Y414-Q539 VanDerWaalsContact OH-NE2 3.16Å; L417-Q539 HydrophobicContact CD1-CB 4.48Å; L417-Q539 HydrophobicContact CD1-CG 3.88Å; L417-Q539 HydrophobicContact CD2-CB 4.49Å; N535-Q539 PolarHBondContact O-N 2.99Å; Y536-Q539 PolarHBondContact O-N 3.43Å; Y536-Q539 VanDerWaalsContact O-N 3.16Å; Y537-Q539 VanDerWaalsContact C-N 3.25Å; Y537-Q539 PolarHBondContact O-N 3.1Å; Q539-H542 PolarHBondContact O-N 2.88Å; Q539-T543 WeakPolarHBondContact O-CB 3.45Å; Q539-T543 PolarHBondContact O-N 3.42Å; Q539-T543 PolarHBondContact O-OG1 3.09Å
540	L	72.6	Confident	72.8	Confident	0 Å²	0	39.8 Å²	39.8	0%	0	20%	0.195	C	C	.	.	H	α-helix	trans	-58.5	-49.9	177	-173.5	160.6	0	0	0	110.5	L286 F328 L331 Y536 Y537 T543 Y544	L286-L540 HydrophobicContact CD2-CD1 4.5Å; L286-L540 HydrophobicContact CD2-CD2 4.09Å; F328-L540 HydrophobicContact CE1-CD1 3.9Å; L331-L540 HydrophobicContact CD1-CD1 3.9Å; L331-L540 HydrophobicContact CD1-CG 4.48Å; Y536-L540 HydrophobicContact CE1-CD1 4.01Å; Y536-L540 HydrophobicContact CE2-CD1 4.41Å; Y536-L540 WeakPolarHBondContact O-CB 3.42Å; Y536-L540 PolarHBondContact O-N 3.2Å; Y537-L540 PolarHBondContact O-N 3.24Å; L540-T543 PolarHBondContact O-N 3.32Å; L540-Y544 HydrophobicContact CD2-CD2 4.26Å; L540-Y544 HydrophobicContact CG-CD2 4.17Å; L540-Y544 WeakPolarHBondContact O-CD2 3.26Å; L540-Y544 PolarHBondContact O-N 3.23Å
541	L	74.4	Confident	72.5	Confident	0 Å²	0	43.5 Å²	43.5	0%	0	21%	0.212	C	C	.	.	H	α-helix	trans	-63.4	-46.1	178	-64.9	162.1	0	0	0	111.4	L290 Y537 T543 Y544 H545 I555 L558 Y559 F562	L290-L541 HydrophobicContact CD1-CD2 4.33Å; L290-L541 HydrophobicContact CD2-CD2 4.44Å; Y537-L541 VanDerWaalsContact O-CB 3.26Å; Y537-L541 WeakPolarHBondContact O-CB 3.27Å; Y537-L541 VanDerWaalsContact O-CD1 3.29Å; Y537-L541 WeakPolarHBondContact O-CD1 3.44Å; Y537-L541 WeakPolarHBondContact O-CG 3.34Å; Y537-L541 PolarHBondContact O-N 3.13Å; L541-T543 PolarHBondContact O-N 2.62Å; L541-Y544 PolarHBondContact O-N 3.05Å; L541-H545 WeakPolarHBondContact O-CA 3.39Å; L541-H545 VanDerWaalsContact O-CB 3.26Å; L541-H545 WeakPolarHBondContact O-CB 3.48Å; L541-H545 PolarHBondContact O-N 2.69Å; L541-I555 HydrophobicContact CD2-CD1 3.89Å; L541-I555 HydrophobicContact CD2-CG1 3.93Å; L541-L558 HydrophobicContact CD1-CD2 3.46Å; L541-L558 VanDerWaalsContact CD1-CD2 3.46Å; L541-L558 HydrophobicContact CD2-CD2 3.55Å; L541-L558 HydrophobicContact CG-CD2 4.16Å; L541-Y559 HydrophobicContact CB-CD2 3.93Å; L541-F562 HydrophobicContact CD1-CB 3.97Å; L541-F562 HydrophobicContact CD1-CD2 3.46Å; L541-F562 VanDerWaalsContact CD1-CD2 3.46Å; L541-F562 HydrophobicContact CD1-CE2 4.25Å; L541-F562 HydrophobicContact CD1-CG 3.82Å
542	H	78.1	Confident	72.5	Confident	94 Å²	94	40.4 Å²	40.4	44%	0.435	20%	0.198	S	C	.	.	H	α-helix	trans	-54.5	-41.8	175.7	176.9	-90.4	0	0	0	111.9	H538 Q539 H545 Y559	H538-H542 WeakPolarHBondContact O-CB 3.48Å; H538-H542 PolarHBondContact O-N 3.06Å; Q539-H542 PolarHBondContact O-N 2.88Å; H542-H545 PolarHBondContact O-CE1 3.44Å; H542-H545 PolarHBondContact O-ND1 3.29Å; H542-Y559 HydrophobicContact CB-CE2 3.95Å
543	T	73.3	Confident	72.5	Confident	29 Å²	29	41.6 Å²	41.6	18%	0.178	21%	0.211	C	C	.	.	H	α-helix	trans	-71.9	-55.4	-178.4	-47.3	0	0	0	0	111	E410 Y414 Q539 L540 L541 H545	E410-T543 HydrophobicContact CG-CG2 3.99Å; Y414-T543 WeakPolarHBondContact OH-CG2 3.24Å; Y414-T543 PolarHBondContact OH-OG1 3.43Å; Q539-T543 WeakPolarHBondContact O-CB 3.45Å; Q539-T543 PolarHBondContact O-N 3.42Å; Q539-T543 PolarHBondContact O-OG1 3.09Å; L540-T543 PolarHBondContact O-N 3.32Å; L541-T543 PolarHBondContact O-N 2.62Å; T543-H545 PolarHBondContact O-N 2.75Å
544	Y	73.5	Confident	72.4	Confident	44 Å²	44	41.6 Å²	41.6	17%	0.173	21%	0.211	C	C	.	.	H	α-helix	trans	-88.4	-0.5	-170.3	-66.2	-73.5	0	0	0	114.8	I327 L540 L541 N546 W547 L548	I327-Y544 HydrophobicContact CD1-CD1 3.97Å; I327-Y544 HydrophobicContact CD1-CD2 4.37Å; I327-Y544 HydrophobicContact CD1-CG 3.79Å; I327-Y544 HydrophobicContact CG1-CD1 4.15Å; I327-Y544 HydrophobicContact CG1-CE1 4.44Å; I327-Y544 HydrophobicContact CG1-CG 4.33Å; I327-Y544 HydrophobicContact CG2-CD2 4.01Å; I327-Y544 HydrophobicContact CG2-CE2 3.92Å; I327-Y544 HydrophobicContact CG2-CG 4.4Å; L540-Y544 HydrophobicContact CD2-CD2 4.26Å; L540-Y544 HydrophobicContact CG-CD2 4.17Å; L540-Y544 WeakPolarHBondContact O-CD2 3.26Å; L540-Y544 PolarHBondContact O-N 3.23Å; L541-Y544 PolarHBondContact O-N 3.05Å; Y544-N546 VanDerWaalsContact C-N 3.34Å; Y544-N546 PolarHBondContact O-N 2.78Å; Y544-W547 PolarHBondContact O-N 2.85Å; Y544-L548 PolarHBondContact O-N 3.29Å
545	H	76	Confident	72.4	Confident	54 Å²	54	41.4 Å²	41.4	25%	0.25	21%	0.21	C	C	.	.	H	α-helix	trans	-52.9	-47.8	-176.6	76	-80.2	0	0	0	113.1	L541 H542 T543 W547 L548 Q549	L541-H545 WeakPolarHBondContact O-CA 3.39Å; L541-H545 VanDerWaalsContact O-CB 3.26Å; L541-H545 WeakPolarHBondContact O-CB 3.48Å; L541-H545 PolarHBondContact O-N 2.69Å; H542-H545 PolarHBondContact O-CE1 3.44Å; H542-H545 PolarHBondContact O-ND1 3.29Å; T543-H545 PolarHBondContact O-N 2.75Å; H545-W547 PolarHBondContact O-N 3.49Å; H545-L548 PolarHBondContact O-N 3.39Å; H545-Q549 WeakPolarHBondContact O-CB 3.2Å; H545-Q549 PolarHBondContact O-N 3.26Å
546	N	75.6	Confident	72.5	Confident	121 Å²	121	44.8 Å²	44.8	65%	0.647	22%	0.222	S	C	*	.	H	α-helix	trans	-62.2	-30.7	-179.6	-78	-45.7	0	0	0	113.1	Y544	Y544-N546 VanDerWaalsContact C-N 3.34Å; Y544-N546 PolarHBondContact O-N 2.78Å
547	W	72.1	Confident	72.5	Confident	103 Å²	103	49.9 Å²	49.9	39%	0.39	25%	0.245	S	C	.	.	H	α-helix	trans	-89.5	-27.2	-177.7	-175.2	89.9	0	0	0	113	R323 L326 I327 Y544 H545	R323-W547 HydrophobicContact CG-CE3 4.1Å; R323-W547 HydrophobicContact CG-CH2 3.4Å; R323-W547 HydrophobicContact CG-CZ2 4.21Å; R323-W547 HydrophobicContact CG-CZ3 3.33Å; R323-W547 PolarHBondContact NE-O 3.37Å; R323-W547 PolarHBondContact NH2-O 3.21Å; R323-W547 WeakPolarHBondContact O-CH2 3.38Å; R323-W547 VanDerWaalsContact O-CZ3 3.26Å; R323-W547 WeakPolarHBondContact O-CZ3 3.31Å; L326-W547 HydrophobicContact CB-CH2 4.47Å; L326-W547 HydrophobicContact CD2-CH2 3.92Å; L326-W547 HydrophobicContact CD2-CZ2 4.14Å; I327-W547 HydrophobicContact CD1-CE3 3.82Å; I327-W547 HydrophobicContact CD1-CZ3 3.59Å; I327-W547 HydrophobicContact CG1-CE3 4.11Å; I327-W547 HydrophobicContact CG1-CH2 4.33Å; I327-W547 HydrophobicContact CG1-CZ3 3.57Å; Y544-W547 PolarHBondContact O-N 2.85Å; H545-W547 PolarHBondContact O-N 3.49Å
548	L	73.1	Confident	72.5	Confident	0 Å²	0	49.9 Å²	49.9	0%	0	25%	0.245	C	C	.	.	H	α-helix	trans	-86.4	-33.8	175.6	-77.5	166.4	0	0	0	113.2	R323 L324 I327 Y544 H545 P550 Q551 C552 I555	R323-L548 HydrophobicContact CB-CD2 4.49Å; R323-L548 HydrophobicContact CG-CD2 4.01Å; L324-L548 HydrophobicContact CD2-CD1 3.75Å; L324-L548 HydrophobicContact CD2-CD2 3.73Å; L324-L548 HydrophobicContact CD2-CG 4.42Å; L324-L548 HydrophobicContact CG-CD2 3.97Å; I327-L548 HydrophobicContact CD1-CD1 3.61Å; I327-L548 HydrophobicContact CD1-CD2 3.87Å; I327-L548 HydrophobicContact CD1-CG 3.76Å; Y544-L548 PolarHBondContact O-N 3.29Å; H545-L548 PolarHBondContact O-N 3.39Å; L548-P550 VanDerWaalsContact C-N 3.31Å; L548-P550 WeakPolarHBondContact O-CD 3.15Å; L548-P550 VanDerWaalsContact O-N 3.12Å; L548-Q551 PolarHBondContact O-N 2.78Å; L548-C552 PolarHBondContact O-N 3.25Å; L548-I555 HydrophobicContact CB-CD1 3.56Å; L548-I555 HydrophobicContact CD1-CD1 3.4Å; L548-I555 HydrophobicContact CG-CD1 4.12Å
549	Q	73.5	Confident	72.6	Confident	47 Å²	47	52 Å²	52	22%	0.22	25%	0.252	C	S	.	.	T	Hydrogen-bonded Turn	trans	-49.6	-34.4	-177.5	179.5	66.2	88.9	0	0	116.3	H545 Q551 S553 I555	H545-Q549 WeakPolarHBondContact O-CB 3.2Å; H545-Q549 PolarHBondContact O-N 3.26Å; Q549-Q551 PolarHBondContact O-N 3.39Å; Q549-S553 PolarHBondContact NE2-O 3.5Å; Q549-I555 HydrophobicContact CB-CG2 4.07Å
550	P	70.8	Confident	72.5	Confident	93 Å²	93	53.2 Å²	53.2	60%	0.604	26%	0.261	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.2	-17.2	-178.8	-25	36.3	0	0	0	115.4	L548	L548-P550 VanDerWaalsContact C-N 3.31Å; L548-P550 WeakPolarHBondContact O-CD 3.15Å; L548-P550 VanDerWaalsContact O-N 3.12Å
551	Q	66.1	Low	72.5	Confident	78 Å²	78	54.7 Å²	54.7	36%	0.364	27%	0.27	S	S	.	.	T	Hydrogen-bonded Turn	trans	-133.2	-32	179.8	-73.3	177.1	-45	0	0	113.1	L548 Q549 S553	L548-Q551 PolarHBondContact O-N 2.78Å; Q549-Q551 PolarHBondContact O-N 3.39Å; Q551-S553 PolarHBondContact O-N 3.18Å
552	C	72.4	Confident	72.3	Confident	0 Å²	0	54.9 Å²	54.9	0%	0	27%	0.271	C	S	.	.			trans	-91.6	84.4	171.1	-58.6	0	0	0	0	109.9	C320 L548 G554 I555	C320-C552 WeakPolarHBondContact CA-SG 3.48Å; C320-C552 HydrophobicContact CB-CB 4.27Å; C320-C552 WeakPolarHBondContact CB-SG 3.31Å; C320-C552 WeakPolarHBondContact SG-CB 3.41Å; C320-C552 CovalentContact SG-SG 2.05Å; C320-C552 PolarHBondContact SG-SG 2.93Å; L548-C552 PolarHBondContact O-N 3.25Å; C552-G554 PolarHBondContact O-N 2.66Å; C552-G554 VanDerWaalsContact O-N 3.11Å; C552-I555 WeakPolarHBondContact O-CG2 3.47Å; C552-I555 PolarHBondContact O-N 2.69Å
553	S	69.7	Low	72.2	Confident	69 Å²	69	53 Å²	53	48%	0.483	26%	0.264	S	S	.	.	T	Hydrogen-bonded Turn	trans	-55.6	-32.4	-173.6	79.8	0	0	0	0	113.9	S294 Q549 Q551 I555	S294-S553 PolarHBondContact O-OG 3.3Å; Q549-S553 PolarHBondContact NE2-O 3.5Å; Q551-S553 PolarHBondContact O-N 3.18Å; S553-I555 VanDerWaalsContact C-N 3.35Å; S553-I555 PolarHBondContact O-N 3.13Å
554	G	69.5	Low	72.2	Confident	0 Å²	0	55.7 Å²	55.7	0%	0	28%	0.275	C	S	.	.	T	Hydrogen-bonded Turn	trans	-78.7	-8.7	-173	0	0	0	0	0	115.2	T293 S294 C552 K556 K557 L558	T293-G554 VanDerWaalsContact O-CA 3.31Å; T293-G554 WeakPolarHBondContact O-CA 2.95Å; S294-G554 WeakPolarHBondContact OG-CA 3.33Å; S294-G554 PolarHBondContact OG-N 3.38Å; C552-G554 PolarHBondContact O-N 2.66Å; C552-G554 VanDerWaalsContact O-N 3.11Å; G554-K556 VanDerWaalsContact C-N 3.28Å; G554-K556 PolarHBondContact O-N 2.93Å; G554-K556 VanDerWaalsContact O-N 3.16Å; G554-K557 WeakPolarHBondContact O-CA 3.2Å; G554-K557 VanDerWaalsContact O-CB 3.24Å; G554-K557 WeakPolarHBondContact O-CB 3.44Å; G554-K557 PolarHBondContact O-N 3.44Å; G554-L558 PolarHBondContact O-N 3.26Å
555	I	71	Confident	72	Confident	0 Å²	0	54 Å²	54	0%	0	27%	0.269	C	S	.	.	H	α-helix	trans	-60.7	-33	-171	-168.2	161	0	0	0	113.9	L290 L541 L548 Q549 C552 S553 K557 L558 Y559	L290-I555 HydrophobicContact CD2-CB 4.14Å; L290-I555 HydrophobicContact CD2-CD1 4.42Å; L290-I555 HydrophobicContact CD2-CG1 4.07Å; L541-I555 HydrophobicContact CD2-CD1 3.89Å; L541-I555 HydrophobicContact CD2-CG1 3.93Å; L548-I555 HydrophobicContact CB-CD1 3.56Å; L548-I555 HydrophobicContact CD1-CD1 3.4Å; L548-I555 HydrophobicContact CG-CD1 4.12Å; Q549-I555 HydrophobicContact CB-CG2 4.07Å; C552-I555 WeakPolarHBondContact O-CG2 3.47Å; C552-I555 PolarHBondContact O-N 2.69Å; S553-I555 VanDerWaalsContact C-N 3.35Å; S553-I555 PolarHBondContact O-N 3.13Å; I555-K557 VanDerWaalsContact C-N 3.34Å; I555-K557 PolarHBondContact O-N 2.92Å; I555-L558 PolarHBondContact O-N 3.32Å; I555-Y559 VanDerWaalsContact O-CB 3.27Å; I555-Y559 WeakPolarHBondContact O-CB 3.08Å; I555-Y559 PolarHBondContact O-N 3.04Å
556	K	73.4	Confident	71.9	Confident	121 Å²	121	54.5 Å²	54.5	53%	0.526	27%	0.27	S	S	.	.	H	α-helix	trans	-65.7	-33.8	171.5	-82	173	-171.9	161.7	0	113	G554 N560	G554-K556 VanDerWaalsContact C-N 3.28Å; G554-K556 PolarHBondContact O-N 2.93Å; G554-K556 VanDerWaalsContact O-N 3.16Å; K556-N560 WeakPolarHBondContact O-CB 3.42Å; K556-N560 PolarHBondContact O-N 3.42Å; K556-N560 PolarHBondContact O-ND2 3.42Å
557	K	71	Confident	71.6	Confident	117 Å²	117	52.9 Å²	52.9	51%	0.509	26%	0.261	S	S	.	.	H	α-helix	trans	-65.3	-50.2	173.4	-53.9	176.2	-177	170.6	0	109.5	G554 I555 N560 V561	G554-K557 WeakPolarHBondContact O-CA 3.2Å; G554-K557 VanDerWaalsContact O-CB 3.24Å; G554-K557 WeakPolarHBondContact O-CB 3.44Å; G554-K557 PolarHBondContact O-N 3.44Å; I555-K557 VanDerWaalsContact C-N 3.34Å; I555-K557 PolarHBondContact O-N 2.92Å; K557-N560 WeakPolarHBondContact O-CB 3.23Å; K557-N560 PolarHBondContact O-N 2.65Å; K557-V561 PolarHBondContact O-N 3.1Å; K557-V561 VanDerWaalsContact O-N 3.11Å
558	L	70.2	Confident	71.3	Confident	0 Å²	0	50.6 Å²	50.6	0%	0	26%	0.257	C	S	.	.	H	α-helix	trans	-69.5	-37.9	-176.1	-172.4	139.1	0	0	0	112.4	L286 S289 L290 T293 L541 G554 I555 N560 V561 F562	L286-L558 HydrophobicContact CD1-CD2 4.1Å; S289-L558 WeakPolarHBondContact O-CD1 3.33Å; L290-L558 HydrophobicContact CD2-CB 4.17Å; L290-L558 HydrophobicContact CD2-CD1 4.04Å; L290-L558 HydrophobicContact CD2-CD2 3.84Å; L290-L558 HydrophobicContact CD2-CG 4.25Å; L290-L558 HydrophobicContact CG-CD1 4.04Å; L290-L558 HydrophobicContact CG-CD2 4.11Å; T293-L558 HydrophobicContact CG2-CB 4.49Å; T293-L558 HydrophobicContact CG2-CD1 4.15Å; L541-L558 HydrophobicContact CD1-CD2 3.46Å; L541-L558 VanDerWaalsContact CD1-CD2 3.46Å; L541-L558 HydrophobicContact CD2-CD2 3.55Å; L541-L558 HydrophobicContact CG-CD2 4.16Å; G554-L558 PolarHBondContact O-N 3.26Å; I555-L558 PolarHBondContact O-N 3.32Å; L558-N560 VanDerWaalsContact C-N 3.35Å; L558-N560 PolarHBondContact O-N 3.04Å; L558-V561 PolarHBondContact O-N 3.12Å; L558-F562 HydrophobicContact CD2-CD2 3.62Å; L558-F562 HydrophobicContact CD2-CE2 3.74Å; L558-F562 HydrophobicContact CG-CD2 4.03Å; L558-F562 HydrophobicContact CG-CE2 4.04Å; L558-F562 WeakPolarHBondContact O-CD2 3.47Å; L558-F562 PolarHBondContact O-N 2.83Å
559	Y	74.8	Confident	70.6	Confident	57 Å²	57	50.9 Å²	50.9	22%	0.224	26%	0.259	C	S	.	.	H	α-helix	trans	-57.5	-45	169.6	176.3	-101.3	0	0	0	112.1	L541 H542 I555 V561 F562 D563	L541-Y559 HydrophobicContact CB-CD2 3.93Å; H542-Y559 HydrophobicContact CB-CE2 3.95Å; I555-Y559 VanDerWaalsContact O-CB 3.27Å; I555-Y559 WeakPolarHBondContact O-CB 3.08Å; I555-Y559 PolarHBondContact O-N 3.04Å; Y559-V561 VanDerWaalsContact C-N 3.31Å; Y559-V561 PolarHBondContact O-N 2.65Å; Y559-F562 CarbonylContact O-C 3.6Å; Y559-F562 PolarHBondContact O-N 2.89Å; Y559-F562 VanDerWaalsContact O-N 3.13Å; Y559-D563 PolarHBondContact O-N 2.92Å
560	N	72	Confident	70	Confident	91 Å²	91	55.4 Å²	55.4	49%	0.487	28%	0.278	S	S	.	.	H	α-helix	trans	-63.7	-34.3	177	-70.1	-17.1	0	0	0	112.5	K556 K557 L558 Q564	K556-N560 WeakPolarHBondContact O-CB 3.42Å; K556-N560 PolarHBondContact O-N 3.42Å; K556-N560 PolarHBondContact O-ND2 3.42Å; K557-N560 WeakPolarHBondContact O-CB 3.23Å; K557-N560 PolarHBondContact O-N 2.65Å; L558-N560 VanDerWaalsContact C-N 3.35Å; L558-N560 PolarHBondContact O-N 3.04Å; N560-Q564 VanDerWaalsContact O-CG 3.3Å; N560-Q564 WeakPolarHBondContact O-CG 3.02Å; N560-Q564 PolarHBondContact O-N 3.29Å
561	V	71.6	Confident	69.4	Low	31 Å²	31	55.2 Å²	55.2	19%	0.188	28%	0.275	C	S	.	.	H	α-helix	trans	-65.4	-44.9	171.6	175.5	0	0	0	0	110.4	L229 W247 K557 L558 Y559 D563 Q564 L565	L229-V561 HydrophobicContact CD2-CG1 4.32Å; W247-V561 HydrophobicContact CH2-CB 4.23Å; W247-V561 HydrophobicContact CH2-CG1 3.81Å; W247-V561 HydrophobicContact CH2-CG2 4.08Å; W247-V561 HydrophobicContact CZ2-CG2 4.22Å; W247-V561 HydrophobicContact CZ3-CG1 4.08Å; K557-V561 PolarHBondContact O-N 3.1Å; K557-V561 VanDerWaalsContact O-N 3.11Å; L558-V561 PolarHBondContact O-N 3.12Å; Y559-V561 VanDerWaalsContact C-N 3.31Å; Y559-V561 PolarHBondContact O-N 2.65Å; V561-D563 PolarHBondContact O-N 3.05Å; V561-Q564 PolarHBondContact O-N 3.1Å; V561-L565 HydrophobicContact CG1-CD1 4.1Å; V561-L565 HydrophobicContact CG1-CG 4.39Å; V561-L565 WeakPolarHBondContact O-CB 2.99Å; V561-L565 WeakPolarHBondContact O-CG 3.35Å; V561-L565 PolarHBondContact O-N 2.03Å
562	F	71.5	Confident	69	Low	4 Å²	4	52.6 Å²	52.6	2%	0.018	26%	0.263	C	S	.	.	H	α-helix	trans	-67.8	-31.6	178.4	-86.6	-71.4	0	0	0	114.2	F224 L286 V534 Y537 L541 L558 Y559 L565 K566	F224-F562 AromaticContact CE1-CE1 3.91Å; F224-F562 HydrophobicContact CE1-CE1 3.91Å; F224-F562 HydrophobicContact CE1-CZ 4.14Å; L286-F562 HydrophobicContact CD1-CE2 4.23Å; V534-F562 HydrophobicContact CG1-CD1 4.43Å; Y537-F562 HydrophobicContact CD2-CD1 4.27Å; Y537-F562 AromaticContact CD2-CE1 3.39Å; Y537-F562 HydrophobicContact CD2-CE1 3.39Å; Y537-F562 HydrophobicContact CD2-CE2 4.28Å; Y537-F562 AromaticContact CD2-CZ 3.39Å; Y537-F562 HydrophobicContact CD2-CZ 3.39Å; Y537-F562 HydrophobicContact CE2-CE1 4.27Å; Y537-F562 AromaticContact CE2-CZ 3.96Å; Y537-F562 HydrophobicContact CE2-CZ 3.96Å; Y537-F562 HydrophobicContact CG-CE1 4.1Å; Y537-F562 HydrophobicContact CG-CZ 4.14Å; L541-F562 HydrophobicContact CD1-CB 3.97Å; L541-F562 HydrophobicContact CD1-CD2 3.46Å; L541-F562 VanDerWaalsContact CD1-CD2 3.46Å; L541-F562 HydrophobicContact CD1-CE2 4.25Å; L541-F562 HydrophobicContact CD1-CG 3.82Å; L558-F562 HydrophobicContact CD2-CD2 3.62Å; L558-F562 HydrophobicContact CD2-CE2 3.74Å; L558-F562 HydrophobicContact CG-CD2 4.03Å; L558-F562 HydrophobicContact CG-CE2 4.04Å; L558-F562 WeakPolarHBondContact O-CD2 3.47Å; L558-F562 PolarHBondContact O-N 2.83Å; Y559-F562 CarbonylContact O-C 3.6Å; Y559-F562 PolarHBondContact O-N 2.89Å; Y559-F562 VanDerWaalsContact O-N 3.13Å; F562-L565 HydrophobicContact CD1-CD1 3.98Å; F562-L565 HydrophobicContact CE1-CD1 3.89Å; F562-L565 HydrophobicContact CZ-CD1 4.46Å; F562-K566 VanDerWaalsContact O-CB 3.28Å; F562-K566 WeakPolarHBondContact O-CB 3.46Å; F562-K566 PolarHBondContact O-N 2.96Å
563	D	75.5	Confident	68.2	Low	55 Å²	55	53.6 Å²	53.6	29%	0.294	27%	0.268	S	S	.	.	H	α-helix	trans	-69.5	-40.3	169.8	-171.4	64	0	0	0	112.3	H538 Y559 V561 K566 N567	H538-D563 IonicContact CE1-OD1 3.28Å; H538-D563 PolarHBondContact CE1-OD1 3.18Å; H538-D563 VanDerWaalsContact CE1-OD1 3.28Å; H538-D563 IonicContact ND1-OD1 2.77Å; Y559-D563 PolarHBondContact O-N 2.92Å; V561-D563 PolarHBondContact O-N 3.05Å; D563-K566 PolarHBondContact O-N 3.16Å; D563-N567 WeakPolarHBondContact O-CB 3.34Å; D563-N567 PolarHBondContact O-N 3.07Å; D563-N567 PolarHBondContact O-ND2 3.43Å; D563-N567 PolarHBondContact OD1-ND2 2.78Å; D563-N567 PolarHBondContact OD2-ND2 2.98Å
564	Q	72.1	Confident	67.5	Low	84 Å²	84	57 Å²	57	39%	0.393	28%	0.276	S	S	.	.	H	α-helix	trans	-62.3	-43.5	172	-74.1	173.5	11	0	0	112.1	N560 V561 K566 N567 N568	N560-Q564 VanDerWaalsContact O-CG 3.3Å; N560-Q564 WeakPolarHBondContact O-CG 3.02Å; N560-Q564 PolarHBondContact O-N 3.29Å; V561-Q564 PolarHBondContact O-N 3.1Å; Q564-K566 VanDerWaalsContact C-N 3.35Å; Q564-K566 PolarHBondContact O-N 3.04Å; Q564-N567 PolarHBondContact O-N 3.19Å; Q564-N568 WeakPolarHBondContact O-CB 3.05Å; Q564-N568 PolarHBondContact O-N 3.02Å
565	L	70	Confident	66.6	Low	10 Å²	10	61.9 Å²	61.9	5%	0.052	31%	0.306	C	S	.	.	H	α-helix	trans	-59.8	-43.3	172.8	-72.5	173.1	0	0	0	111.5	T223 F224 L229 V534 V561 F562 S569	T223-L565 WeakPolarHBondContact O-CD2 3.37Å; F224-L565 HydrophobicContact CD1-CD1 4.05Å; F224-L565 HydrophobicContact CE1-CD1 4.4Å; L229-L565 HydrophobicContact CD1-CD2 4.02Å; L229-L565 HydrophobicContact CD2-CD2 3.6Å; L229-L565 HydrophobicContact CD2-CG 3.87Å; L229-L565 HydrophobicContact CG-CD2 4.49Å; V534-L565 HydrophobicContact CG1-CB 3.85Å; V534-L565 HydrophobicContact CG2-CB 4.43Å; V561-L565 HydrophobicContact CG1-CD1 4.1Å; V561-L565 HydrophobicContact CG1-CG 4.39Å; V561-L565 WeakPolarHBondContact O-CB 2.99Å; V561-L565 WeakPolarHBondContact O-CG 3.35Å; V561-L565 PolarHBondContact O-N 2.03Å; F562-L565 HydrophobicContact CD1-CD1 3.98Å; F562-L565 HydrophobicContact CE1-CD1 3.89Å; F562-L565 HydrophobicContact CZ-CD1 4.46Å; L565-S569 WeakPolarHBondContact O-CA 3.03Å; L565-S569 VanDerWaalsContact O-CB 3.3Å; L565-S569 WeakPolarHBondContact O-CB 3.48Å; L565-S569 PolarHBondContact O-N 3.34Å
566	K	72.9	Confident	65.8	Low	63 Å²	63	63.7 Å²	63.7	27%	0.274	32%	0.315	S	S	.	.	H	α-helix	trans	-66.7	-35.1	177	-177.6	176.3	173.8	179.8	0	112.9	V534 H538 F562 D563 Q564 S569	V534-K566 HydrophobicContact CG1-CB 4.24Å; H538-K566 HydrophobicContact CB-CD 4.15Å; H538-K566 PolarHBondContact CD2-NZ 3.37Å; H538-K566 PolarHBondContact NE2-NZ 3.29Å; F562-K566 VanDerWaalsContact O-CB 3.28Å; F562-K566 WeakPolarHBondContact O-CB 3.46Å; F562-K566 PolarHBondContact O-N 2.96Å; D563-K566 PolarHBondContact O-N 3.16Å; Q564-K566 VanDerWaalsContact C-N 3.35Å; Q564-K566 PolarHBondContact O-N 3.04Å; K566-S569 WeakPolarHBondContact O-CB 3.38Å; K566-S569 PolarHBondContact O-OG 3.14Å
567	N	69.9	Low	64.9	Low	87 Å²	87	62.9 Å²	62.9	47%	0.465	31%	0.312	S	S	.	.	H	α-helix	trans	-75	-42.8	176.7	-74	-50.5	0	0	0	112	D563 Q564 S569	D563-N567 WeakPolarHBondContact O-CB 3.34Å; D563-N567 PolarHBondContact O-N 3.07Å; D563-N567 PolarHBondContact O-ND2 3.43Å; D563-N567 PolarHBondContact OD1-ND2 2.78Å; D563-N567 PolarHBondContact OD2-ND2 2.98Å; Q564-N567 PolarHBondContact O-N 3.19Å; N567-S569 VanDerWaalsContact C-N 3.3Å; N567-S569 PolarHBondContact O-N 2.77Å
568	N	65.5	Low	64	Low	55 Å²	55	65.8 Å²	65.8	29%	0.294	32%	0.324	S	S	.	.	H	α-helix	trans	-74.3	-17.9	175.8	-66.2	-9	0	0	0	113.1	Q564 K570 T571 I572	Q564-N568 WeakPolarHBondContact O-CB 3.05Å; Q564-N568 PolarHBondContact O-N 3.02Å; N568-K570 PolarHBondContact O-N 3.3Å; N568-K570 VanDerWaalsContact O-N 3.11Å; N568-T571 PolarHBondContact O-N 2.85Å; N568-T571 VanDerWaalsContact O-N 3.1Å; N568-T571 PolarHBondContact O-OG1 3.09Å; N568-I572 HydrophobicContact CB-CD1 3.87Å; N568-I572 WeakPolarHBondContact O-CG1 3.38Å; N568-I572 PolarHBondContact O-N 3.12Å
569	S	59.9	Low	63.1	Low	7 Å²	7	72.7 Å²	72.7	5%	0.049	36%	0.361	C	S	.	.	H	α-helix	trans	-48.6	-42	177.3	71.7	0	0	0	0	112.3	L565 K566 N567 T571 I572 F573	L565-S569 WeakPolarHBondContact O-CA 3.03Å; L565-S569 VanDerWaalsContact O-CB 3.3Å; L565-S569 WeakPolarHBondContact O-CB 3.48Å; L565-S569 PolarHBondContact O-N 3.34Å; K566-S569 WeakPolarHBondContact O-CB 3.38Å; K566-S569 PolarHBondContact O-OG 3.14Å; N567-S569 VanDerWaalsContact C-N 3.3Å; N567-S569 PolarHBondContact O-N 2.77Å; S569-T571 VanDerWaalsContact C-N 3.32Å; S569-T571 PolarHBondContact O-N 3.21Å; S569-I572 PolarHBondContact O-N 3.31Å; S569-F573 WeakPolarHBondContact O-CB 3.28Å; S569-F573 WeakPolarHBondContact O-CD2 3.39Å; S569-F573 PolarHBondContact O-N 2.95Å
570	K	60.5	Low	62.1	Low	142 Å²	142	76.2 Å²	76.2	62%	0.617	38%	0.384	S	S	*	.	H	α-helix	trans	-65.7	-31.9	-174.8	-66.5	172.6	-177.1	168.6	0	112.7	N568 Q574	N568-K570 PolarHBondContact O-N 3.3Å; N568-K570 VanDerWaalsContact O-N 3.11Å; K570-Q574 VanDerWaalsContact O-CB 3.29Å; K570-Q574 WeakPolarHBondContact O-CB 3.42Å; K570-Q574 WeakPolarHBondContact O-CG 3.28Å; K570-Q574 PolarHBondContact O-NE2 2.86Å
571	T	58.9	Low	61.5	Low	89 Å²	89	73.6 Å²	73.6	55%	0.546	37%	0.37	S	S	.	.	H	α-helix	trans	-87.9	-39.9	176	50.2	0	0	0	0	111.6	N568 S569 T575	N568-T571 PolarHBondContact O-N 2.85Å; N568-T571 VanDerWaalsContact O-N 3.1Å; N568-T571 PolarHBondContact O-OG1 3.09Å; S569-T571 VanDerWaalsContact C-N 3.32Å; S569-T571 PolarHBondContact O-N 3.21Å; T571-T575 WeakPolarHBondContact O-CG2 3.5Å; T571-T575 PolarHBondContact O-N 3.44Å; T571-T575 VanDerWaalsContact O-N 3.16Å; T571-T575 PolarHBondContact O-OG1 2.89Å
572	I	56.2	Low	61	Low	22 Å²	22	76.9 Å²	76.9	11%	0.113	39%	0.39	C	S	.	.	H	α-helix	trans	-64.6	-50.7	179.5	-66	172.5	0	0	0	110.9	T223 N568 S569 T575 M576	T223-I572 HydrophobicContact CG2-CG2 4.43Å; N568-I572 HydrophobicContact CB-CD1 3.87Å; N568-I572 WeakPolarHBondContact O-CG1 3.38Å; N568-I572 PolarHBondContact O-N 3.12Å; S569-I572 PolarHBondContact O-N 3.31Å; I572-T575 PolarHBondContact O-N 3.02Å; I572-T575 PolarHBondContact O-OG1 2.02Å; I572-M576 HydrophobicContact CG2-CE 3.72Å; I572-M576 WeakPolarHBondContact O-CG 3.29Å; I572-M576 PolarHBondContact O-N 3.43Å; I572-M576 VanDerWaalsContact O-N 3.13Å
573	F	56.5	Low	60.7	Low	21 Å²	21	85 Å²	85	9%	0.092	43%	0.425	C	S	.	.	H	α-helix	trans	-71.4	-34.1	-179.1	-65.9	-57.6	0	0	0	113.2	T223 P530 E531 S569 T575 M576 K577	T223-F573 HydrophobicContact CG2-CD1 4.42Å; T223-F573 HydrophobicContact CG2-CE1 3.35Å; T223-F573 HydrophobicContact CG2-CZ 3.46Å; T223-F573 VanDerWaalsContact CG2-CZ 3.46Å; P530-F573 HydrophobicContact CB-CE1 3.96Å; P530-F573 HydrophobicContact CB-CZ 3.94Å; E531-F573 HydrophobicContact CB-CD2 3.8Å; E531-F573 HydrophobicContact CB-CE1 4.36Å; E531-F573 HydrophobicContact CB-CE2 3.49Å; E531-F573 VanDerWaalsContact CB-CE2 3.49Å; E531-F573 HydrophobicContact CB-CG 4.4Å; E531-F573 HydrophobicContact CB-CZ 3.81Å; E531-F573 HydrophobicContact CG-CD2 3.76Å; E531-F573 HydrophobicContact CG-CE2 3.72Å; S569-F573 WeakPolarHBondContact O-CB 3.28Å; S569-F573 WeakPolarHBondContact O-CD2 3.39Å; S569-F573 PolarHBondContact O-N 2.95Å; F573-T575 VanDerWaalsContact C-N 3.35Å; F573-T575 PolarHBondContact O-N 3.35Å; F573-M576 HydrophobicContact CD1-SD 4.39Å; F573-M576 PolarHBondContact O-N 3.2Å; F573-K577 WeakPolarHBondContact O-CB 3.43Å; F573-K577 PolarHBondContact O-N 2.91Å; F573-K577 VanDerWaalsContact O-N 3.11Å
574	Q	54.4	Low	60.2	Low	140 Å²	140	83.5 Å²	83.5	65%	0.654	42%	0.416	S	S	*	.	H	α-helix	trans	-65.9	-34.5	175.4	-76.7	179.7	23.1	0	0	113.3	K570	K570-Q574 VanDerWaalsContact O-CB 3.29Å; K570-Q574 WeakPolarHBondContact O-CB 3.42Å; K570-Q574 WeakPolarHBondContact O-CG 3.28Å; K570-Q574 PolarHBondContact O-NE2 2.86Å
575	T	51.8	Low	59.9	Low	103 Å²	103	82.9 Å²	82.9	63%	0.632	41%	0.414	S	S	*	.	H	α-helix	trans	-74.8	-39.4	176.1	49.7	0	0	0	0	111.7	T571 I572 F573 K577	T571-T575 WeakPolarHBondContact O-CG2 3.5Å; T571-T575 PolarHBondContact O-N 3.44Å; T571-T575 VanDerWaalsContact O-N 3.16Å; T571-T575 PolarHBondContact O-OG1 2.89Å; I572-T575 PolarHBondContact O-N 3.02Å; I572-T575 PolarHBondContact O-OG1 2.02Å; F573-T575 VanDerWaalsContact C-N 3.35Å; F573-T575 PolarHBondContact O-N 3.35Å; T575-K577 PolarHBondContact O-N 2.99Å
576	M	52.2	Low	60	Low	38 Å²	38	90 Å²	90	19%	0.187	45%	0.445	C	S	.	.	H	α-helix	trans	-61.1	-40.5	174.8	-71.5	-173.1	-174.7	0	0	113.6	K219 Q222 T223 I572 F573 K578	K219-M576 HydrophobicContact CG-SD 4.2Å; Q222-M576 HydrophobicContact CB-CE 3.46Å; Q222-M576 VanDerWaalsContact CB-CE 3.46Å; Q222-M576 HydrophobicContact CG-CE 4.39Å; T223-M576 HydrophobicContact CG2-CE 4.18Å; I572-M576 HydrophobicContact CG2-CE 3.72Å; I572-M576 WeakPolarHBondContact O-CG 3.29Å; I572-M576 PolarHBondContact O-N 3.43Å; I572-M576 VanDerWaalsContact O-N 3.13Å; F573-M576 HydrophobicContact CD1-SD 4.39Å; F573-M576 PolarHBondContact O-N 3.2Å; M576-K578 PolarHBondContact O-N 3.46Å
577	K	54.6	Low	60.1	Low	105 Å²	105	91.7 Å²	91.7	46%	0.457	45%	0.454	S	S	.	.	T	Hydrogen-bonded Turn	trans	-68.4	-6.1	-169.6	-132.1	158.3	-167.8	158.9	0	115.6	D528 F573 T575	D528-K577 WeakPolarHBondContact OD1-CE 3.3Å; D528-K577 IonicContact OD1-NZ 2.96Å; D528-K577 PolarHBondContact OD1-NZ 3.14Å; F573-K577 WeakPolarHBondContact O-CB 3.43Å; F573-K577 PolarHBondContact O-N 2.91Å; F573-K577 VanDerWaalsContact O-N 3.11Å; T575-K577 PolarHBondContact O-N 2.99Å
578	K	52.3	Low	60.2	Low	177 Å²	177	87.6 Å²	87.6	77%	0.77	43%	0.432	S	S	*	.	T	Hydrogen-bonded Turn	trans	-102.7	-30.9	-171.2	-88.1	179.7	173.1	173.7	0	117	M576	M576-K578 PolarHBondContact O-N 3.46Å
579	N	51.2	Low	61	Low	145 Å²	145	89.7 Å²	89.7	78%	0.775	44%	0.438	S	S	*	.	S	Bend	trans	-96.2	-24.3	-157.3	-99.5	-3.6	0	0	0	118.1
580	N	54.2	Low	62.2	Low	131 Å²	131	95.8 Å²	95.8	70%	0.701	46%	0.464	S	S	*	.	S	Bend	trans	-124	-22.1	-175.6	-85.3	-35.9	0	0	0	116	T582	N580-T582 VanDerWaalsContact C-N 3.28Å; N580-T582 PolarHBondContact O-N 3.47Å; N580-T582 VanDerWaalsContact O-N 3.09Å
581	N	58.9	Low	63.3	Low	36 Å²	36	89.4 Å²	89.4	19%	0.193	44%	0.437	C	S	.	.	H	α-helix	trans	-61.2	-29.6	-164.9	-65.1	31.9	0	0	0	114.2	D527 K583 R584 L585	D527-N581 PolarHBondContact OD2-ND2 2.88Å; N581-K583 VanDerWaalsContact C-N 3.28Å; N581-K583 PolarHBondContact O-N 3.1Å; N581-K583 VanDerWaalsContact O-N 3.16Å; N581-R584 PolarHBondContact O-N 3.39Å; N581-L585 WeakPolarHBondContact O-CB 3.49Å; N581-L585 PolarHBondContact O-N 3.04Å
582	T	62.5	Low	64.6	Low	101 Å²	101	85.4 Å²	85.4	62%	0.62	41%	0.411	S	S	*	.	H	α-helix	trans	-66.3	-20.2	-171.5	63.4	0	0	0	0	115.6	N580 K586	N580-T582 VanDerWaalsContact C-N 3.28Å; N580-T582 PolarHBondContact O-N 3.47Å; N580-T582 VanDerWaalsContact O-N 3.09Å; T582-K586 WeakPolarHBondContact O-CD 3.25Å; T582-K586 WeakPolarHBondContact O-CG 3.43Å
583	K	64.8	Low	66.1	Low	174 Å²	174	87.8 Å²	87.8	76%	0.757	42%	0.422	S	S	*	.	H	α-helix	trans	-85.9	-48.5	173.6	-71.9	-178.7	-179.8	174.8	0	111.5	N581 K586 H587	N581-K583 VanDerWaalsContact C-N 3.28Å; N581-K583 PolarHBondContact O-N 3.1Å; N581-K583 VanDerWaalsContact O-N 3.16Å; K583-K586 WeakPolarHBondContact O-CB 3.49Å; K583-K586 PolarHBondContact O-N 3.49Å; K583-H587 PolarHBondContact O-N 3.39Å
584	R	64.4	Low	67.7	Low	24 Å²	24	90.2 Å²	90.2	9%	0.091	43%	0.434	C	S	.	.	H	α-helix	trans	-66.6	-40.4	-178.1	-174.8	168.4	157.7	-115.6	4.1	112.4	E211 S212 L215 E523 N581 K586 H587 H588	E211-R584 WeakPolarHBondContact OE1-CD 3.23Å; E211-R584 IonicContact OE1-NE 2.7Å; S212-R584 PolarHBondContact OG-NH2 3.02Å; L215-R584 VanDerWaalsContact CD2-NH1 3.26Å; E523-R584 WeakPolarHBondContact OE1-CG 3.5Å; E523-R584 IonicContact OE1-CZ 3.93Å; E523-R584 IonicContact OE1-NE 3.8Å; E523-R584 IonicContact OE1-NH1 3.2Å; E523-R584 PolarHBondContact OE1-NH1 3.43Å; N581-R584 PolarHBondContact O-N 3.39Å; R584-K586 PolarHBondContact O-N 3.06Å; R584-K586 VanDerWaalsContact O-N 3.15Å; R584-H587 WeakPolarHBondContact O-CA 3.42Å; R584-H587 WeakPolarHBondContact O-CB 3.22Å; R584-H587 PolarHBondContact O-N 3.15Å; R584-H588 WeakPolarHBondContact CG-NE2 3.34Å; R584-H588 PolarHBondContact NE-CE1 3.43Å; R584-H588 VanDerWaalsContact NE-CE1 3.29Å; R584-H588 PolarHBondContact NE-NE2 3.29Å; R584-H588 PolarHBondContact O-N 2.97Å
585	L	66.6	Low	69.4	Low	70 Å²	70	83.5 Å²	83.5	37%	0.366	40%	0.403	S	S	.	.	H	α-helix	trans	-56.4	-33.2	173	-154.4	73.5	0	0	0	113	E523 N581 K589	E523-L585 WeakPolarHBondContact OE2-CD1 3.44Å; N581-L585 WeakPolarHBondContact O-CB 3.49Å; N581-L585 PolarHBondContact O-N 3.04Å; L585-K589 WeakPolarHBondContact O-CB 3.07Å; L585-K589 PolarHBondContact O-N 3.09Å
586	K	72.1	Confident	71.2	Confident	161 Å²	161	81.5 Å²	81.5	70%	0.7	39%	0.385	S	S	*	.	H	α-helix	trans	-75.4	-35.1	174.8	-69.3	175.9	-178.5	-178.8	0	112.2	T582 K583 R584 K590	T582-K586 WeakPolarHBondContact O-CD 3.25Å; T582-K586 WeakPolarHBondContact O-CG 3.43Å; K583-K586 WeakPolarHBondContact O-CB 3.49Å; K583-K586 PolarHBondContact O-N 3.49Å; R584-K586 PolarHBondContact O-N 3.06Å; R584-K586 VanDerWaalsContact O-N 3.15Å; K586-K590 WeakPolarHBondContact O-CB 3.2Å; K586-K590 PolarHBondContact O-N 3.36Å
587	H	74.6	Confident	73.1	Confident	97 Å²	97	83.1 Å²	83.1	45%	0.449	40%	0.397	S	S	.	.	H	α-helix	trans	-66	-49.8	173.7	-170.1	77.9	0	0	0	111	K583 R584 K589 K590 I591	K583-H587 PolarHBondContact O-N 3.39Å; R584-H587 WeakPolarHBondContact O-CA 3.42Å; R584-H587 WeakPolarHBondContact O-CB 3.22Å; R584-H587 PolarHBondContact O-N 3.15Å; H587-K589 PolarHBondContact O-N 2.04Å; H587-K590 WeakPolarHBondContact O-CA 3.13Å; H587-K590 WeakPolarHBondContact O-CB 3.25Å; H587-K590 PolarHBondContact O-N 3.25Å; H587-I591 PolarHBondContact O-N 2.76Å
588	H	72.7	Confident	74.8	Confident	2 Å²	2	78.6 Å²	78.6	1%	0.009	38%	0.378	C	S	.	.	H	α-helix	trans	-56.1	-47.5	174.1	-66.1	174.6	0	0	0	112.2	Q208 E523 R584 K590 I591 F592	Q208-H588 WeakPolarHBondContact CG-CD2 3.35Å; Q208-H588 WeakPolarHBondContact CG-NE2 3.49Å; Q208-H588 PolarHBondContact OE1-CD2 3.49Å; E523-H588 IonicContact OE1-CE1 2.59Å; E523-H588 IonicContact OE1-ND1 3.45Å; E523-H588 IonicContact OE2-CE1 2.62Å; E523-H588 PolarHBondContact OE2-CE1 3.16Å; E523-H588 IonicContact OE2-CG 3.22Å; E523-H588 IonicContact OE2-ND1 2.65Å; E523-H588 PolarHBondContact OE2-ND1 3.41Å; R584-H588 WeakPolarHBondContact CG-NE2 3.34Å; R584-H588 PolarHBondContact NE-CE1 3.43Å; R584-H588 VanDerWaalsContact NE-CE1 3.29Å; R584-H588 PolarHBondContact NE-NE2 3.29Å; R584-H588 PolarHBondContact O-N 2.97Å; H588-K590 VanDerWaalsContact C-N 3.31Å; H588-K590 PolarHBondContact O-N 3.18Å; H588-I591 PolarHBondContact O-N 2.92Å; H588-F592 WeakPolarHBondContact O-CD2 3.49Å; H588-F592 PolarHBondContact O-N 3.38Å
589	K	81	Confident	76.7	Confident	98 Å²	98	70.3 Å²	70.3	43%	0.426	34%	0.343	S	S	.	.	H	α-helix	trans	-59.3	-43.1	175.3	179.5	163.7	178.9	166.7	0	111.3	L515 L585 H587 I591 F592 E593	L515-K589 HydrophobicContact CD2-CD 4.39Å; L515-K589 HydrophobicContact CD2-CG 3.87Å; L585-K589 WeakPolarHBondContact O-CB 3.07Å; L585-K589 PolarHBondContact O-N 3.09Å; H587-K589 PolarHBondContact O-N 2.04Å; K589-I591 VanDerWaalsContact C-N 3.32Å; K589-I591 PolarHBondContact O-N 2.73Å; K589-F592 PolarHBondContact O-N 2.94Å; K589-E593 WeakPolarHBondContact CE-OE1 3.43Å; K589-E593 HydrophobicContact CG-CG 3.93Å; K589-E593 IonicContact NZ-OE1 3.57Å; K589-E593 PolarHBondContact NZ-OE1 3.36Å; K589-E593 WeakPolarHBondContact O-CB 3.32Å; K589-E593 VanDerWaalsContact O-CG 3.23Å; K589-E593 WeakPolarHBondContact O-CG 3.47Å; K589-E593 PolarHBondContact O-N 2.94Å
590	K	84.9	Confident	78.6	Confident	136 Å²	136	65.8 Å²	65.8	59%	0.591	32%	0.318	S	S	*	.	H	α-helix	trans	-59.8	-39.5	177.9	-171.3	-172.7	174.8	-169.3	0	112.3	K586 H587 H588 Q594	K586-K590 WeakPolarHBondContact O-CB 3.2Å; K586-K590 PolarHBondContact O-N 3.36Å; H587-K590 WeakPolarHBondContact O-CA 3.13Å; H587-K590 WeakPolarHBondContact O-CB 3.25Å; H587-K590 PolarHBondContact O-N 3.25Å; H588-K590 VanDerWaalsContact C-N 3.31Å; H588-K590 PolarHBondContact O-N 3.18Å; K590-Q594 VanDerWaalsContact O-CB 3.24Å; K590-Q594 WeakPolarHBondContact O-CB 3.39Å; K590-Q594 PolarHBondContact O-N 3.41Å
591	I	84.8	Confident	80.3	Confident	8 Å²	8	64.6 Å²	64.6	4%	0.041	31%	0.308	C	S	.	.	H	α-helix	trans	-63.1	-47.7	178.3	-70.9	168.2	0	0	0	110.9	A204 Q208 H587 H588 K589 Q594 M595	A204-I591 HydrophobicContact CB-CD1 4.24Å; A204-I591 HydrophobicContact CB-CG1 4.43Å; Q208-I591 HydrophobicContact CB-CD1 4.17Å; Q208-I591 HydrophobicContact CG-CD1 4.3Å; Q208-I591 VanDerWaalsContact OE1-CD1 3.22Å; H587-I591 PolarHBondContact O-N 2.76Å; H588-I591 PolarHBondContact O-N 2.92Å; K589-I591 VanDerWaalsContact C-N 3.32Å; K589-I591 PolarHBondContact O-N 2.73Å; I591-Q594 PolarHBondContact O-N 3.29Å; I591-M595 WeakPolarHBondContact O-CB 3.3Å; I591-M595 PolarHBondContact O-N 2.9Å
592	F	86.6	Confident	81.8	Confident	4 Å²	4	62.9 Å²	62.9	2%	0.018	30%	0.299	C	S	.	.	H	α-helix	trans	-70.1	-35.8	178.6	-70.3	-68	0	0	0	113.5	L205 L432 A511 F514 L515 H588 K589 M595 K596	L205-F592 HydrophobicContact CD1-CZ 4.4Å; L432-F592 HydrophobicContact CD2-CE1 4.07Å; A511-F592 HydrophobicContact CB-CD1 4.17Å; F514-F592 HydrophobicContact CB-CD1 4.18Å; F514-F592 HydrophobicContact CB-CD2 4.23Å; F514-F592 HydrophobicContact CB-CE1 4.06Å; F514-F592 HydrophobicContact CB-CE2 4.11Å; F514-F592 HydrophobicContact CB-CG 4.27Å; F514-F592 HydrophobicContact CB-CZ 4.03Å; F514-F592 HydrophobicContact CD2-CD1 4.15Å; F514-F592 AromaticContact CD2-CE1 3.42Å; F514-F592 HydrophobicContact CD2-CE1 3.42Å; F514-F592 VanDerWaalsContact CD2-CE1 3.42Å; F514-F592 AromaticContact CD2-CZ 3.67Å; F514-F592 HydrophobicContact CD2-CZ 3.67Å; F514-F592 HydrophobicContact CE2-CE1 4.13Å; F514-F592 HydrophobicContact CE2-CZ 4.28Å; F514-F592 HydrophobicContact CG-CE1 4.04Å; F514-F592 HydrophobicContact CG-CE2 4.45Å; F514-F592 AromaticContact CG-CZ 3.95Å; F514-F592 HydrophobicContact CG-CZ 3.95Å; L515-F592 HydrophobicContact CD1-CB 4.31Å; L515-F592 HydrophobicContact CD2-CB 3.82Å; L515-F592 HydrophobicContact CG-CB 3.91Å; H588-F592 WeakPolarHBondContact O-CD2 3.49Å; H588-F592 PolarHBondContact O-N 3.38Å; K589-F592 PolarHBondContact O-N 2.94Å; F592-M595 HydrophobicContact CD1-SD 4.5Å; F592-M595 PolarHBondContact O-N 3.24Å; F592-K596 PolarHBondContact O-N 3.21Å
593	E	87.6	Confident	83.2	Confident	72 Å²	72	60.6 Å²	60.6	34%	0.336	28%	0.281	S	S	.	.	H	α-helix	trans	-64.8	-40.6	172.1	-64.7	-79.8	-159.5	0	0	111.2	L515 K589 K596 T597	L515-E593 HydrophobicContact CD1-CG 4.4Å; L515-E593 HydrophobicContact CD2-CG 3.96Å; K589-E593 WeakPolarHBondContact CE-OE1 3.43Å; K589-E593 HydrophobicContact CG-CG 3.93Å; K589-E593 IonicContact NZ-OE1 3.57Å; K589-E593 PolarHBondContact NZ-OE1 3.36Å; K589-E593 WeakPolarHBondContact O-CB 3.32Å; K589-E593 VanDerWaalsContact O-CG 3.23Å; K589-E593 WeakPolarHBondContact O-CG 3.47Å; K589-E593 PolarHBondContact O-N 2.94Å; E593-K596 WeakPolarHBondContact O-CB 3.42Å; E593-K596 PolarHBondContact O-N 3.11Å; E593-T597 PolarHBondContact O-N 2.82Å
594	Q	89.7	Confident	84.3	Confident	72 Å²	72	54.8 Å²	54.8	34%	0.336	26%	0.258	S	S	.	.	H	α-helix	trans	-67.8	-35	175.3	-172.9	-178.8	-32.5	0	0	112.1	L201 K590 I591 K596 T597 T598	L201-Q594 HydrophobicContact CD2-CB 4.45Å; L201-Q594 HydrophobicContact CD2-CG 4.14Å; K590-Q594 VanDerWaalsContact O-CB 3.24Å; K590-Q594 WeakPolarHBondContact O-CB 3.39Å; K590-Q594 PolarHBondContact O-N 3.41Å; I591-Q594 PolarHBondContact O-N 3.29Å; Q594-K596 VanDerWaalsContact C-N 3.34Å; Q594-T597 PolarHBondContact O-OG1 3.15Å; Q594-T597 VanDerWaalsContact O-OG1 3.14Å; Q594-T598 WeakPolarHBondContact O-CB 3.31Å; Q594-T598 WeakPolarHBondContact O-CG2 3.19Å; Q594-T598 PolarHBondContact O-N 2.83Å; Q594-T598 PolarHBondContact O-OG1 3.31Å
595	M	89.3	Confident	85.5	Confident	0 Å²	0	53.7 Å²	53.7	0%	0	25%	0.254	C	S	.	.	H	α-helix	trans	-63.6	-41	171.6	-171.3	176.9	-65.7	0	0	111	L201 L205 L432 L436 I507 A511 I591 F592 T598 M599	L201-M595 HydrophobicContact CD2-CB 4.32Å; L205-M595 HydrophobicContact CD2-CE 4.4Å; L432-M595 HydrophobicContact CD1-SD 3.96Å; L432-M595 HydrophobicContact CD2-CE 4.21Å; L432-M595 HydrophobicContact CD2-SD 4.13Å; L432-M595 HydrophobicContact CG-SD 4.47Å; L436-M595 HydrophobicContact CD1-CE 3.88Å; I507-M595 HydrophobicContact CG2-CG 4.17Å; I507-M595 HydrophobicContact CG2-SD 3.92Å; A511-M595 HydrophobicContact CB-SD 4.3Å; I591-M595 WeakPolarHBondContact O-CB 3.3Å; I591-M595 PolarHBondContact O-N 2.9Å; F592-M595 HydrophobicContact CD1-SD 4.5Å; F592-M595 PolarHBondContact O-N 3.24Å; M595-T598 WeakPolarHBondContact CA-OG1 3.29Å; M595-T598 PolarHBondContact O-OG1 3.45Å; M595-T598 VanDerWaalsContact O-OG1 3.1Å; M595-M599 HydrophobicContact CG-CG 4.5Å; M595-M599 WeakPolarHBondContact O-CB 3.21Å; M595-M599 WeakPolarHBondContact O-CG 3.04Å; M595-M599 PolarHBondContact O-N 2.85Å
596	K	90.5	Very high	86.6	Confident	60 Å²	60	50.4 Å²	50.4	26%	0.261	24%	0.237	S	C	.	.	H	α-helix	trans	-62	-50	174.8	179.4	167	-176.3	158	0	112.3	K508 D512 L515 F592 E593 Q594 M599 D600	K508-K596 HydrophobicContact CG-CG 4.34Å; D512-K596 WeakPolarHBondContact OD1-CD 3.3Å; D512-K596 WeakPolarHBondContact OD1-CE 3.48Å; D512-K596 IonicContact OD1-NZ 3.23Å; D512-K596 PolarHBondContact OD1-NZ 2.97Å; D512-K596 IonicContact OD2-NZ 3.43Å; D512-K596 PolarHBondContact OD2-NZ 3.13Å; L515-K596 HydrophobicContact CD1-CD 4.49Å; F592-K596 PolarHBondContact O-N 3.21Å; E593-K596 WeakPolarHBondContact O-CB 3.42Å; E593-K596 PolarHBondContact O-N 3.11Å; Q594-K596 VanDerWaalsContact C-N 3.34Å; K596-M599 PolarHBondContact O-N 3.49Å; K596-D600 PolarHBondContact O-N 3.46Å
597	T	91.5	Very high	87.3	Confident	73 Å²	73	45.1 Å²	45.1	45%	0.448	22%	0.22	S	C	.	.	H	α-helix	trans	-63.9	-43.9	179.8	59.7	0	0	0	0	112.1	E593 Q594 D600 E601	E593-T597 PolarHBondContact O-N 2.82Å; Q594-T597 PolarHBondContact O-OG1 3.15Å; Q594-T597 VanDerWaalsContact O-OG1 3.14Å; T597-D600 CarbonylContact O-C 3.6Å; T597-D600 PolarHBondContact O-N 2.77Å; T597-E601 WeakPolarHBondContact O-CG 3.43Å; T597-E601 PolarHBondContact O-N 3.08Å
598	T	91.4	Very high	88	Confident	9 Å²	9	45.1 Å²	45.1	6%	0.055	22%	0.22	C	C	.	.	H	α-helix	trans	-66.5	-37.6	178.9	49.7	0	0	0	0	112.6	L201 Q594 M595 D600 E601 I602	L201-T598 HydrophobicContact CD1-CG2 4.14Å; L201-T598 WeakPolarHBondContact CD1-OG1 3.13Å; Q594-T598 WeakPolarHBondContact O-CB 3.31Å; Q594-T598 WeakPolarHBondContact O-CG2 3.19Å; Q594-T598 PolarHBondContact O-N 2.83Å; Q594-T598 PolarHBondContact O-OG1 3.31Å; M595-T598 WeakPolarHBondContact CA-OG1 3.29Å; M595-T598 PolarHBondContact O-OG1 3.45Å; M595-T598 VanDerWaalsContact O-OG1 3.1Å; T598-D600 VanDerWaalsContact C-N 3.32Å; T598-D600 PolarHBondContact O-N 2.77Å; T598-E601 PolarHBondContact O-N 3.26Å; T598-I602 WeakPolarHBondContact O-CB 3.09Å; T598-I602 WeakPolarHBondContact O-CD1 3.38Å; T598-I602 WeakPolarHBondContact O-CG1 3.38Å; T598-I602 PolarHBondContact O-N 3.29Å
599	M	91.3	Very high	88.9	Confident	4 Å²	4	45.1 Å²	45.1	2%	0.02	22%	0.22	C	C	.	.	H	α-helix	trans	-64.7	-36.5	172	-68.6	-66.5	147	0	0	112	L198 L436 T504 I507 K508 M595 K596 I602 K603	L198-M599 HydrophobicContact CD2-CE 3.63Å; L436-M599 HydrophobicContact CD2-CE 3.75Å; T504-M599 HydrophobicContact CG2-SD 3.87Å; I507-M599 HydrophobicContact CB-CE 4.49Å; I507-M599 HydrophobicContact CB-CG 4.32Å; I507-M599 HydrophobicContact CB-SD 4.03Å; I507-M599 HydrophobicContact CD1-CE 4.1Å; I507-M599 HydrophobicContact CD1-SD 4.12Å; I507-M599 HydrophobicContact CG2-CE 3.88Å; I507-M599 HydrophobicContact CG2-CG 3.93Å; I507-M599 HydrophobicContact CG2-SD 3.93Å; K508-M599 HydrophobicContact CB-CB 4.31Å; M595-M599 HydrophobicContact CG-CG 4.5Å; M595-M599 WeakPolarHBondContact O-CB 3.21Å; M595-M599 WeakPolarHBondContact O-CG 3.04Å; M595-M599 PolarHBondContact O-N 2.85Å; K596-M599 PolarHBondContact O-N 3.49Å; M599-I602 PolarHBondContact O-N 3.31Å; M599-K603 WeakPolarHBondContact O-CB 3.25Å; M599-K603 PolarHBondContact O-N 2.84Å
600	D	90.4	Very high	89.3	Confident	50 Å²	50	40.8 Å²	40.8	27%	0.267	20%	0.202	S	C	.	.	H	α-helix	trans	-69.7	-27.3	174.2	-97.1	-50.5	0	0	0	113.9	K508 K596 T597 T598 K603	K508-D600 WeakPolarHBondContact CD-OD2 3.37Å; K508-D600 WeakPolarHBondContact CE-OD2 3.31Å; K508-D600 VanDerWaalsContact NZ-CG 3.28Å; K508-D600 IonicContact NZ-OD1 2.69Å; K508-D600 PolarHBondContact NZ-OD1 3.27Å; K508-D600 IonicContact NZ-OD2 3.81Å; K508-D600 PolarHBondContact NZ-OD2 3.18Å; K596-D600 PolarHBondContact O-N 3.46Å; T597-D600 CarbonylContact O-C 3.6Å; T597-D600 PolarHBondContact O-N 2.77Å; T598-D600 VanDerWaalsContact C-N 3.32Å; T598-D600 PolarHBondContact O-N 2.77Å; D600-K603 WeakPolarHBondContact O-CD 3.42Å; D600-K603 WeakPolarHBondContact O-CE 3.23Å; D600-K603 WeakPolarHBondContact O-CG 3.15Å; D600-K603 PolarHBondContact O-NZ 3.3Å; D600-K603 IonicContact OD1-NZ 2.86Å; D600-K603 PolarHBondContact OD1-NZ 3.26Å
601	E	90	Very high	89.6	Confident	105 Å²	105	36.7 Å²	36.7	49%	0.491	19%	0.189	S	C	.	.	H	α-helix	trans	-76.3	-44.2	169.3	-70.8	171.1	-149.1	0	0	111.8	W194 T597 T598 K603	W194-E601 HydrophobicContact CH2-CB 3.83Å; W194-E601 WeakPolarHBondContact CH2-OE2 3.47Å; W194-E601 HydrophobicContact CZ3-CB 4.02Å; W194-E601 WeakPolarHBondContact CZ3-OE2 3.25Å; T597-E601 WeakPolarHBondContact O-CG 3.43Å; T597-E601 PolarHBondContact O-N 3.08Å; T598-E601 PolarHBondContact O-N 3.26Å; E601-K603 PolarHBondContact O-N 3.05Å
602	I	91.5	Very high	89.8	Confident	0 Å²	0	37 Å²	37	0%	0	19%	0.192	C	C	.	.	H	α-helix	trans	-78.4	-20.3	-170.1	-72.3	169.8	0	0	0	113.2	W194 L198 W500 T504 T598 M599 N604 I605	W194-I602 HydrophobicContact CD2-CG1 3.91Å; W194-I602 HydrophobicContact CE3-CD1 3.76Å; W194-I602 HydrophobicContact CE3-CG1 3.34Å; W194-I602 HydrophobicContact CG-CG1 4.48Å; W194-I602 HydrophobicContact CZ3-CD1 4.34Å; W194-I602 HydrophobicContact CZ3-CG1 3.75Å; L198-I602 HydrophobicContact CD2-CD1 3.82Å; L198-I602 HydrophobicContact CG-CD1 4.12Å; W500-I602 HydrophobicContact CZ2-CG2 3.46Å; W500-I602 VanDerWaalsContact CZ2-CG2 3.46Å; W500-I602 PolarHBondContact NE1-O 2.93Å; T504-I602 HydrophobicContact CG2-CG2 4.21Å; T598-I602 WeakPolarHBondContact O-CB 3.09Å; T598-I602 WeakPolarHBondContact O-CD1 3.38Å; T598-I602 WeakPolarHBondContact O-CG1 3.38Å; T598-I602 PolarHBondContact O-N 3.29Å; M599-I602 PolarHBondContact O-N 3.31Å; I602-N604 PolarHBondContact O-N 2.97Å; I602-I605 HydrophobicContact CG2-CD1 4.33Å; I602-I605 HydrophobicContact CG2-CG2 4.36Å; I602-I605 WeakPolarHBondContact O-CG2 3.39Å; I602-I605 PolarHBondContact O-N 3.27Å
603	K	90.4	Very high	90	Very high	54 Å²	54	37 Å²	37	24%	0.235	19%	0.192	C	C	.	.	T	Hydrogen-bonded Turn	trans	-52.8	-23.3	-175.3	69.5	-169.9	172.1	-162.4	0	116.1	Y501 T504 M599 D600 E601	Y501-K603 HydrophobicContact CD2-CB 4.06Å; Y501-K603 HydrophobicContact CE2-CB 4.44Å; Y501-K603 HydrophobicContact CE2-CD 4.22Å; T504-K603 WeakPolarHBondContact OG1-CB 3.39Å; M599-K603 WeakPolarHBondContact O-CB 3.25Å; M599-K603 PolarHBondContact O-N 2.84Å; D600-K603 WeakPolarHBondContact O-CD 3.42Å; D600-K603 WeakPolarHBondContact O-CE 3.23Å; D600-K603 WeakPolarHBondContact O-CG 3.15Å; D600-K603 PolarHBondContact O-NZ 3.3Å; D600-K603 IonicContact OD1-NZ 2.86Å; D600-K603 PolarHBondContact OD1-NZ 3.26Å; E601-K603 PolarHBondContact O-N 3.05Å
604	N	88.3	Confident	90.1	Very high	52 Å²	52	33.9 Å²	33.9	28%	0.278	18%	0.179	S	C	.	.	T	Hydrogen-bonded Turn	trans	-121.8	18.4	-175.9	-70.5	-31.4	0	0	0	114.5	I602 W606 S607 H608	I602-N604 PolarHBondContact O-N 2.97Å; N604-W606 PolarHBondContact O-N 2.91Å; N604-W606 VanDerWaalsContact O-N 3.14Å; N604-S607 PolarHBondContact O-N 3.38Å; N604-S607 PolarHBondContact O-OG 2.86Å; N604-H608 WeakPolarHBondContact CB-ND1 3.39Å; N604-H608 PolarHBondContact O-N 3.22Å; N604-H608 PolarHBondContact O-ND1 3.36Å; N604-H608 VanDerWaalsContact O-ND1 3.09Å
605	I	91.2	Very high	90	Very high	1 Å²	1	36 Å²	36	1%	0.005	19%	0.192	C	C	.	.	H	α-helix	trans	-53.1	-38.2	-175.8	53.5	174.2	0	0	0	113.9	Y190 W194 I443 W500 I602 H608 S609	Y190-I605 HydrophobicContact CE1-CB 4.45Å; W194-I605 HydrophobicContact CD2-CG2 4.19Å; W194-I605 HydrophobicContact CG-CG2 3.96Å; I443-I605 HydrophobicContact CD1-CD1 3.69Å; I443-I605 HydrophobicContact CG1-CD1 4.06Å; W500-I605 HydrophobicContact CZ2-CD1 3.72Å; I602-I605 HydrophobicContact CG2-CD1 4.33Å; I602-I605 HydrophobicContact CG2-CG2 4.36Å; I602-I605 WeakPolarHBondContact O-CG2 3.39Å; I602-I605 PolarHBondContact O-N 3.27Å; I605-H608 PolarHBondContact O-N 2.9Å; I605-S609 PolarHBondContact O-N 3.43Å
606	W	88.5	Confident	89.9	Confident	1 Å²	1	41.7 Å²	41.7	0%	0.004	22%	0.218	C	C	.	.	H	α-helix	trans	-70.3	-42.6	-177.2	-52	117.6	0	0	0	112.3	L191 L442 I443 L446 L493 L496 N497 W500 N604 S609	L191-W606 HydrophobicContact CD1-CZ3 4.06Å; L191-W606 HydrophobicContact CD2-CE3 4.48Å; L191-W606 HydrophobicContact CD2-CH2 4.01Å; L191-W606 HydrophobicContact CD2-CZ3 3.68Å; L442-W606 HydrophobicContact CD2-CH2 4.29Å; L442-W606 HydrophobicContact CD2-CZ2 3.64Å; I443-W606 HydrophobicContact CG1-CH2 4.22Å; I443-W606 HydrophobicContact CG1-CZ2 4.17Å; L446-W606 HydrophobicContact CB-CH2 3.99Å; L446-W606 HydrophobicContact CB-CZ3 4.19Å; L446-W606 HydrophobicContact CD1-CH2 3.43Å; L446-W606 VanDerWaalsContact CD1-CH2 3.43Å; L446-W606 HydrophobicContact CD1-CZ2 3.87Å; L446-W606 HydrophobicContact CD1-CZ3 3.89Å; L446-W606 HydrophobicContact CG-CH2 4.36Å; L493-W606 HydrophobicContact CB-CE3 4.03Å; L493-W606 HydrophobicContact CD1-CE3 4.41Å; L493-W606 HydrophobicContact CD2-CE3 4.45Å; L493-W606 HydrophobicContact CD2-CZ3 4.4Å; L493-W606 WeakPolarHBondContact O-CB 3.34Å; L496-W606 HydrophobicContact CB-CG 4.48Å; N497-W606 HydrophobicContact CB-CB 4.31Å; W500-W606 AromaticContact CD1-CD1 3.81Å; W500-W606 AromaticContact CD1-NE1 3.66Å; W500-W606 AromaticContact CD2-NE1 3.5Å; W500-W606 AromaticContact CE2-NE1 3.98Å; W500-W606 AromaticContact CG-CD1 3.68Å; W500-W606 AromaticContact CG-NE1 3.28Å; W500-W606 VanDerWaalsContact CG-NE1 3.28Å; N604-W606 PolarHBondContact O-N 2.91Å; N604-W606 VanDerWaalsContact O-N 3.14Å; W606-S609 PolarHBondContact O-OG 3.02Å
607	S	87.2	Confident	89.6	Confident	50 Å²	50	39.1 Å²	39.1	35%	0.35	21%	0.208	S	C	.	.	H	α-helix	trans	-72.4	-26.8	173.8	52.1	0	0	0	0	113.8	N497 N604	N497-S607 PolarHBondContact OD1-N 3.19Å; N497-S607 PolarHBondContact OD1-OG 2.9Å; N497-S607 VanDerWaalsContact OD1-OG 3.08Å; N604-S607 PolarHBondContact O-N 3.38Å; N604-S607 PolarHBondContact O-OG 2.86Å
608	H	90.1	Very high	89.2	Confident	96 Å²	96	39.6 Å²	39.6	44%	0.444	21%	0.212	S	C	.	.	H	α-helix	trans	-86.9	-14.4	177.8	-72.9	57.7	0	0	0	113.7	N604 I605 S610 T611 A612	N604-H608 WeakPolarHBondContact CB-ND1 3.39Å; N604-H608 PolarHBondContact O-N 3.22Å; N604-H608 PolarHBondContact O-ND1 3.36Å; N604-H608 VanDerWaalsContact O-ND1 3.09Å; I605-H608 PolarHBondContact O-N 2.9Å; H608-S610 PolarHBondContact O-N 2.94Å; H608-T611 PolarHBondContact O-N 2.74Å; H608-A612 PolarHBondContact O-N 3.1Å
609	S	89.9	Confident	88.7	Confident	2 Å²	2	43.1 Å²	43.1	1%	0.014	23%	0.225	C	C	.	.	H	α-helix	trans	-50.6	-48.9	-178.5	65.2	0	0	0	0	113.7	I605 W606 T611 A612 L613	I605-S609 PolarHBondContact O-N 3.43Å; W606-S609 PolarHBondContact O-OG 3.02Å; S609-T611 VanDerWaalsContact C-N 3.34Å; S609-T611 PolarHBondContact O-N 2.9Å; S609-A612 PolarHBondContact O-N 3.41Å; S609-L613 WeakPolarHBondContact O-CB 3.48Å; S609-L613 VanDerWaalsContact O-CG 3.27Å; S609-L613 WeakPolarHBondContact O-CG 3.26Å; S609-L613 PolarHBondContact O-N 3.31Å
610	S	90.5	Very high	88.3	Confident	8 Å²	8	43.1 Å²	43.1	6%	0.056	23%	0.225	C	C	.	.	H	α-helix	trans	-61.7	-40.6	177.3	51.1	0	0	0	0	112.5	H608 C614	H608-S610 PolarHBondContact O-N 2.94Å; S610-C614 PolarHBondContact O-N 3.18Å; S610-C614 VanDerWaalsContact O-N 3.09Å; S610-C614 PolarHBondContact O-SG 3.28Å
611	T	90.6	Very high	87.7	Confident	50 Å²	50	41.8 Å²	41.8	31%	0.307	22%	0.221	S	C	.	.	H	α-helix	trans	-71	-42.2	-179.6	-56.5	0	0	0	0	111.3	H608 S609 C614 L615	H608-T611 PolarHBondContact O-N 2.74Å; S609-T611 VanDerWaalsContact C-N 3.34Å; S609-T611 PolarHBondContact O-N 2.9Å; T611-C614 PolarHBondContact O-N 2.87Å; T611-L615 HydrophobicContact CG2-CD1 3.84Å; T611-L615 WeakPolarHBondContact O-CB 3.49Å; T611-L615 VanDerWaalsContact O-CG 3.28Å; T611-L615 WeakPolarHBondContact O-CG 3.43Å; T611-L615 PolarHBondContact O-N 3.35Å
612	A	89.8	Confident	87.1	Confident	13 Å²	13	39.3 Å²	39.3	11%	0.107	21%	0.211	C	C	.	.	H	α-helix	trans	-62.2	-47.4	174.4	0	0	0	0	0	111	Y190 H608 S609 C614 L615 E616	Y190-A612 HydrophobicContact CD2-CB 3.54Å; Y190-A612 HydrophobicContact CE2-CB 3.34Å; Y190-A612 HydrophobicContact CG-CB 4.32Å; H608-A612 PolarHBondContact O-N 3.1Å; S609-A612 PolarHBondContact O-N 3.41Å; A612-C614 VanDerWaalsContact C-N 3.34Å; A612-C614 PolarHBondContact O-N 3.09Å; A612-L615 PolarHBondContact O-N 3.1Å; A612-L615 VanDerWaalsContact O-N 3.16Å; A612-E616 WeakPolarHBondContact O-CA 3.48Å; A612-E616 VanDerWaalsContact O-CB 3.28Å; A612-E616 WeakPolarHBondContact O-CB 3.45Å; A612-E616 PolarHBondContact O-N 2.04Å
613	L	90.5	Very high	85.9	Confident	4 Å²	4	45.6 Å²	45.6	2%	0.021	24%	0.243	C	C	.	.	H	α-helix	trans	-59.2	-42.1	177.2	-72.7	167.7	0	0	0	112.7	S186 L187 L486 L490 S609 L615 S617	S186-L613 VanDerWaalsContact CB-CD2 3.4Å; L187-L613 HydrophobicContact CB-CD2 4.35Å; L187-L613 HydrophobicContact CD1-CD1 4.4Å; L486-L613 HydrophobicContact CD1-CB 3.55Å; L486-L613 HydrophobicContact CD1-CD1 4.13Å; L486-L613 HydrophobicContact CD1-CG 4.49Å; L490-L613 HydrophobicContact CD1-CD1 3.65Å; S609-L613 WeakPolarHBondContact O-CB 3.48Å; S609-L613 VanDerWaalsContact O-CG 3.27Å; S609-L613 WeakPolarHBondContact O-CG 3.26Å; S609-L613 PolarHBondContact O-N 3.31Å; L613-L615 VanDerWaalsContact C-N 3.31Å; L613-L615 PolarHBondContact O-N 3.46Å; L613-S617 WeakPolarHBondContact O-CB 3.48Å; L613-S617 PolarHBondContact O-N 2.91Å; L613-S617 PolarHBondContact O-OG 3.14Å
614	C	90.3	Very high	84.7	Confident	8 Å²	8	48.7 Å²	48.7	5%	0.054	26%	0.262	C	S	.	.	H	α-helix	trans	-71.4	-19.1	178.2	-68.1	0	0	0	0	115.1	C482 L483 S610 T611 A612	C482-C614 HydrophobicContact CB-CB 3.95Å; C482-C614 WeakPolarHBondContact CB-SG 3.3Å; C482-C614 PolarHBondContact O-SG 3.05Å; C482-C614 WeakPolarHBondContact SG-CA 3.45Å; C482-C614 WeakPolarHBondContact SG-CB 3.46Å; C482-C614 CovalentContact SG-SG 2.04Å; C482-C614 PolarHBondContact SG-SG 3.3Å; L483-C614 PolarHBondContact N-SG 2.64Å; L483-C614 VanDerWaalsContact N-SG 3.39Å; S610-C614 PolarHBondContact O-N 3.18Å; S610-C614 VanDerWaalsContact O-N 3.09Å; S610-C614 PolarHBondContact O-SG 3.28Å; T611-C614 PolarHBondContact O-N 2.87Å; A612-C614 VanDerWaalsContact C-N 3.34Å; A612-C614 PolarHBondContact O-N 3.09Å
615	L	87.7	Confident	83.4	Confident	117 Å²	117	58 Å²	58	61%	0.613	29%	0.293	S	S	*	.	H	α-helix	trans	-111.1	-33.6	-175.3	-64.6	178.1	0	0	0	113.9	T611 A612 L613 A621	T611-L615 HydrophobicContact CG2-CD1 3.84Å; T611-L615 WeakPolarHBondContact O-CB 3.49Å; T611-L615 VanDerWaalsContact O-CG 3.28Å; T611-L615 WeakPolarHBondContact O-CG 3.43Å; T611-L615 PolarHBondContact O-N 3.35Å; A612-L615 PolarHBondContact O-N 3.1Å; A612-L615 VanDerWaalsContact O-N 3.16Å; L613-L615 VanDerWaalsContact C-N 3.31Å; L613-L615 PolarHBondContact O-N 3.46Å; L615-A621 WeakPolarHBondContact O-CB 3.5Å
616	E	85.8	Confident	82.2	Confident	118 Å²	118	65.8 Å²	65.8	55%	0.551	32%	0.323	S	S	*	.	H	α-helix	trans	-99.1	-25.1	-175.4	-57.2	-173.3	159.1	0	0	113	A612	A612-E616 WeakPolarHBondContact O-CA 3.48Å; A612-E616 VanDerWaalsContact O-CB 3.28Å; A612-E616 WeakPolarHBondContact O-CB 3.45Å; A612-E616 PolarHBondContact O-N 2.04Å
617	S	85.2	Confident	81.1	Confident	6 Å²	6	74.6 Å²	74.6	4%	0.042	36%	0.356	C	S	.	.			trans	-71.9	134	-177.3	73.5	0	0	0	0	111.9	L613 Y619 L620 A621	L613-S617 WeakPolarHBondContact O-CB 3.48Å; L613-S617 PolarHBondContact O-N 2.91Å; L613-S617 PolarHBondContact O-OG 3.14Å; S617-Y619 PolarHBondContact O-N 3.11Å; S617-Y619 VanDerWaalsContact O-N 3.1Å; S617-L620 PolarHBondContact O-N 3.34Å; S617-L620 VanDerWaalsContact OG-CB 3.31Å; S617-L620 WeakPolarHBondContact OG-CB 3.45Å; S617-L620 VanDerWaalsContact OG-CG 3.3Å; S617-L620 WeakPolarHBondContact OG-CG 3.14Å; S617-L620 PolarHBondContact OG-N 3.19Å; S617-A621 WeakPolarHBondContact O-CB 3.31Å; S617-A621 PolarHBondContact O-N 2.73Å; S617-A621 VanDerWaalsContact O-N 3.09Å
618	P	81.9	Confident	80.2	Confident	84 Å²	84	77.3 Å²	77.3	55%	0.545	37%	0.367	S	S	.	.	T	Hydrogen-bonded Turn	trans	-69.3	-11	-178.4	29.8	-35.8	0	0	0	112.8	R476	R476-P618 PolarHBondContact NH1-O 3.27Å; R476-P618 PolarHBondContact NH2-O 3.2Å
619	Y	81.3	Confident	79.7	Confident	83 Å²	83	78.4 Å²	78.4	33%	0.325	37%	0.372	S	S	.	.	T	Hydrogen-bonded Turn	trans	-90.8	-42.6	-179.1	-47.7	-75.3	0	0	0	112.4	E182 S617	E182-Y619 HydrophobicContact CB-CD1 4.2Å; E182-Y619 HydrophobicContact CB-CD2 3.89Å; E182-Y619 HydrophobicContact CB-CE1 4.25Å; E182-Y619 HydrophobicContact CB-CE2 3.94Å; E182-Y619 HydrophobicContact CB-CG 4.02Å; E182-Y619 HydrophobicContact CG-CD1 3.88Å; E182-Y619 HydrophobicContact CG-CD2 4.36Å; E182-Y619 HydrophobicContact CG-CE1 3.65Å; E182-Y619 HydrophobicContact CG-CE2 4.16Å; E182-Y619 HydrophobicContact CG-CG 4.23Å; E182-Y619 WeakPolarHBondContact OE1-CE1 3.34Å; E182-Y619 WeakPolarHBondContact OE2-CD1 3.16Å; S617-Y619 PolarHBondContact O-N 3.11Å; S617-Y619 VanDerWaalsContact O-N 3.1Å
620	L	82.8	Confident	79.5	Confident	4 Å²	4	78.3 Å²	78.3	2%	0.021	37%	0.371	C	S	.	.	T	Hydrogen-bonded Turn	trans	-94	-36.4	-176.4	-51.2	178.4	0	0	0	113.4	L183 M463 H464 P477 C482 L486 S617 L622	L183-L620 HydrophobicContact CD2-CD1 3.72Å; L183-L620 HydrophobicContact CD2-CD2 4.42Å; L183-L620 HydrophobicContact CD2-CG 4.33Å; M463-L620 HydrophobicContact CE-CD2 4.1Å; H464-L620 VanDerWaalsContact ND1-CD2 3.29Å; H464-L620 WeakPolarHBondContact ND1-CD2 3.38Å; P477-L620 HydrophobicContact CG-CD2 4.11Å; C482-L620 VanDerWaalsContact SG-CD1 3.57Å; L486-L620 HydrophobicContact CD1-CD1 3.85Å; S617-L620 PolarHBondContact O-N 3.34Å; S617-L620 VanDerWaalsContact OG-CB 3.31Å; S617-L620 WeakPolarHBondContact OG-CB 3.45Å; S617-L620 VanDerWaalsContact OG-CG 3.3Å; S617-L620 WeakPolarHBondContact OG-CG 3.14Å; S617-L620 PolarHBondContact OG-N 3.19Å; L620-L622 PolarHBondContact O-N 3.31Å
621	A	77.7	Confident	79.5	Confident	21 Å²	21	78.1 Å²	78.1	17%	0.174	37%	0.369	C	S	.	.	S	Bend	trans	-60	127	-168.1	0	0	0	0	0	112.3	R476 L615 S617 I623	R476-A621 VanDerWaalsContact CD-O 3.22Å; R476-A621 WeakPolarHBondContact CD-O 3.36Å; R476-A621 PolarHBondContact NH1-O 3.3Å; L615-A621 WeakPolarHBondContact O-CB 3.5Å; S617-A621 WeakPolarHBondContact O-CB 3.31Å; S617-A621 PolarHBondContact O-N 2.73Å; S617-A621 VanDerWaalsContact O-N 3.09Å; A621-I623 PolarHBondContact O-N 3.06Å; A621-I623 VanDerWaalsContact O-N 3.07Å
622	L	76.9	Confident	79.3	Confident	53 Å²	53	76.9 Å²	76.9	28%	0.277	36%	0.361	S	S	.	.			trans	-77.6	98.9	-175.3	-167.7	71.3	0	0	0	110.9	R476 L620 N624 C630	R476-L622 HydrophobicContact CB-CD1 3.96Å; L620-L622 PolarHBondContact O-N 3.31Å; L622-N624 VanDerWaalsContact C-N 3.26Å; L622-N624 WeakPolarHBondContact CD2-O 3.22Å; L622-N624 WeakPolarHBondContact CG-O 3.37Å; L622-N624 PolarHBondContact O-N 2.74Å; L622-C630 HydrophobicContact CD1-CB 4.15Å; L622-C630 HydrophobicContact CD2-CB 4.19Å
623	I	67.8	Low	79.1	Confident	133 Å²	133	76.4 Å²	76.4	68%	0.682	36%	0.357	S	S	*	.	S	Bend	trans	-55.9	-39.6	-177.9	-60.8	172.9	0	0	0	111.8	A621	A621-I623 PolarHBondContact O-N 3.06Å; A621-I623 VanDerWaalsContact O-N 3.07Å
624	N	65.1	Low	78.9	Confident	119 Å²	119	80 Å²	80	64%	0.636	38%	0.379	S	S	*	.	S	Bend	trans	-90.3	123.7	178.6	-74.5	-24.7	0	0	0	111.3	L622 R626	L622-N624 VanDerWaalsContact C-N 3.26Å; L622-N624 WeakPolarHBondContact CD2-O 3.22Å; L622-N624 WeakPolarHBondContact CG-O 3.37Å; L622-N624 PolarHBondContact O-N 2.74Å; N624-R626 PolarHBondContact O-N 3.38Å
625	R	60.9	Low	78.6	Confident	246 Å²	246	83 Å²	83	93%	0.928	40%	0.397	S	S	*	.	S	Bend	trans	-64.2	-1.3	179.8	-68.7	-175	176	-173.9	-0.8	115.7	R627	R625-R627 PolarHBondContact O-N 2.91Å
626	R	65.8	Low	78.5	Confident	165 Å²	165	80.3 Å²	80.3	62%	0.623	38%	0.383	S	S	*	.			trans	-76.9	97.4	174.7	-70.9	-172.9	179.7	-179.8	-0.3	109.9	N624 D628 Q629	N624-R626 PolarHBondContact O-N 3.38Å; R626-D628 PolarHBondContact O-N 2.89Å; R626-D628 VanDerWaalsContact O-N 3.14Å; R626-Q629 VanDerWaalsContact CD-OE1 3.22Å; R626-Q629 VanDerWaalsContact NH1-OE1 3.11Å
627	R	65.5	Low	78.5	Confident	187 Å²	187	76.3 Å²	76.3	71%	0.706	37%	0.37	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.1	-7.6	179.9	-51.8	-178.5	-162.3	161.9	4.6	113.7	R625 C630	R625-R627 PolarHBondContact O-N 2.91Å; R627-C630 PolarHBondContact O-SG 2.8Å
628	D	67.6	Low	78.5	Confident	107 Å²	107	79.5 Å²	79.5	57%	0.572	39%	0.392	S	S	*	.	T	Hydrogen-bonded Turn	trans	-99	-5.4	-170.9	-37.3	-70.2	0	0	0	112.4	R626	R626-D628 PolarHBondContact O-N 2.89Å; R626-D628 VanDerWaalsContact O-N 3.14Å
629	Q	79.4	Confident	78.7	Confident	118 Å²	118	77.6 Å²	77.6	55%	0.551	38%	0.376	S	S	*	.	S	Bend	trans	-126.1	56.9	-178.5	-58.3	-171.7	-68.9	0	0	110.3	R626	R626-Q629 VanDerWaalsContact CD-OE1 3.22Å; R626-Q629 VanDerWaalsContact NH1-OE1 3.11Å
630	C	87.3	Confident	78.9	Confident	1 Å²	1	76.9 Å²	76.9	1%	0.007	38%	0.377	C	S	.	.	S	Bend	trans	-131.7	166.1	178.1	54.2	0	0	0	0	110.6	C478 L622 R627 I636 A637	C478-C630 WeakPolarHBondContact CA-SG 3.15Å; C478-C630 HydrophobicContact CB-CB 3.99Å; C478-C630 WeakPolarHBondContact CB-SG 3.4Å; C478-C630 WeakPolarHBondContact SG-CB 3.36Å; C478-C630 CovalentContact SG-SG 2.04Å; C478-C630 PolarHBondContact SG-SG 3.41Å; L622-C630 HydrophobicContact CD1-CB 4.15Å; L622-C630 HydrophobicContact CD2-CB 4.19Å; R627-C630 PolarHBondContact O-SG 2.8Å; C630-I636 CarbonylContact O-C 3.59Å; C630-I636 WeakPolarHBondContact O-CA 3.31Å; C630-A637 PolarHBondContact O-N 2.96Å
631	W	89.4	Confident	78.9	Confident	4 Å²	4	81.8 Å²	81.8	2%	0.015	40%	0.4	C	S	.	.	B	Isolated β-bridge	trans	-80.4	123	179.2	175	-107.9	0	0	0	111.6	R462 M463 C466 A467 R476 P477 C478 G633 T634	R462-W631 PolarHBondContact O-NE1 3.1Å; M463-W631 VanDerWaalsContact O-CD1 3.25Å; C466-W631 HydrophobicContact CB-CZ2 4.17Å; A467-W631 HydrophobicContact CB-CD2 3.71Å; A467-W631 HydrophobicContact CB-CE3 3.59Å; A467-W631 HydrophobicContact CB-CG 4.25Å; A467-W631 HydrophobicContact CB-CH2 4.29Å; A467-W631 HydrophobicContact CB-CZ2 4.41Å; A467-W631 HydrophobicContact CB-CZ3 3.89Å; R476-W631 PolarHBondContact O-N 2.79Å; P477-W631 WeakPolarHBondContact CA-O 3.48Å; C478-W631 PolarHBondContact N-O 3.48Å; C478-W631 PolarHBondContact SG-O 2.72Å; C478-W631 VanDerWaalsContact SG-O 3.37Å; W631-G633 VanDerWaalsContact CZ2-C 3.45Å; W631-T634 WeakPolarHBondContact CH2-O 3.29Å; W631-T634 VanDerWaalsContact CZ3-C 3.44Å; W631-T634 WeakPolarHBondContact CZ3-O 3.36Å
632	N	87.5	Confident	79	Confident	24 Å²	24	88.9 Å²	88.9	13%	0.128	43%	0.43	C	S	.	.			trans	-96.5	1	-178.6	69.9	23.1	0	0	0	114.7	T634 T635 F639	N632-T634 PolarHBondContact OD1-N 3.37Å; N632-T634 PolarHBondContact OD1-OG1 2.98Å; N632-T635 PolarHBondContact N-O 2.97Å; N632-T635 PolarHBondContact ND2-O 3.38Å; N632-T635 PolarHBondContact ND2-OG1 2.99Å; N632-T635 VanDerWaalsContact ND2-OG1 3.14Å; N632-T635 PolarHBondContact OD1-N 2.73Å; N632-T635 PolarHBondContact OD1-O 2.9Å; N632-T635 VanDerWaalsContact OD1-O 3.12Å; N632-F639 HydrophobicContact CB-CB 4.47Å
633	G	85.3	Confident	79.1	Confident	2 Å²	2	94.5 Å²	94.5	2%	0.021	45%	0.452	C	S	.	.	S	Bend	trans	99	-3.7	-174	0	0	0	0	0	115.5	R462 W631	R462-G633 PolarHBondContact NE-O 2.94Å; R462-G633 VanDerWaalsContact NE-O 3.08Å; W631-G633 VanDerWaalsContact CZ2-C 3.45Å
634	T	85	Confident	79.7	Confident	79 Å²	79	88.5 Å²	88.5	49%	0.485	42%	0.422	S	S	.	.	S	Bend	trans	-141.6	-37.3	175.2	59.9	0	0	0	0	113.2	W631 N632	W631-T634 WeakPolarHBondContact CH2-O 3.29Å; W631-T634 VanDerWaalsContact CZ3-C 3.44Å; W631-T634 WeakPolarHBondContact CZ3-O 3.36Å; N632-T634 PolarHBondContact OD1-N 3.37Å; N632-T634 PolarHBondContact OD1-OG1 2.98Å
635	T	85	Confident	80.3	Confident	72 Å²	72	87.1 Å²	87.1	44%	0.442	42%	0.418	S	S	.	.	S	Bend	trans	-148.9	169.9	-177.8	56.6	0	0	0	0	111.4	N632 A637	N632-T635 PolarHBondContact N-O 2.97Å; N632-T635 PolarHBondContact ND2-O 3.38Å; N632-T635 PolarHBondContact ND2-OG1 2.99Å; N632-T635 VanDerWaalsContact ND2-OG1 3.14Å; N632-T635 PolarHBondContact OD1-N 2.73Å; N632-T635 PolarHBondContact OD1-O 2.9Å; N632-T635 VanDerWaalsContact OD1-O 3.12Å; T635-A637 PolarHBondContact O-N 3.25Å
636	I	85.9	Confident	81.1	Confident	61 Å²	61	76.8 Å²	76.8	31%	0.313	38%	0.38	S	S	.	.	B	Isolated β-bridge	trans	-81.9	96.4	167.8	-55.9	179.4	0	0	0	108.7	E472 S475 C630	E472-I636 HydrophobicContact CB-CD1 4.11Å; E472-I636 HydrophobicContact CB-CG1 4.49Å; S475-I636 WeakPolarHBondContact OG-CD1 3.35Å; S475-I636 WeakPolarHBondContact OG-CG1 3.36Å; C630-I636 CarbonylContact O-C 3.59Å; C630-I636 WeakPolarHBondContact O-CA 3.31Å
637	A	85.6	Confident	81.7	Confident	34 Å²	34	69 Å²	69	28%	0.281	35%	0.351	S	S	.	.	S	Bend	trans	-163.1	171	176.4	0	0	0	0	0	110	C478 C630 T635	C478-A637 PolarHBondContact SG-O 2.71Å; C478-A637 VanDerWaalsContact SG-O 3.34Å; C630-A637 PolarHBondContact O-N 2.96Å; T635-A637 PolarHBondContact O-N 3.25Å
638	S	85.8	Confident	81.7	Confident	72 Å²	72	67 Å²	67	50%	0.503	35%	0.349	S	S	.	.			trans	-59.4	145.9	173.5	52.4	0	0	0	0	112.4
639	F	85.3	Confident	81.2	Confident	45 Å²	45	66 Å²	66	20%	0.197	34%	0.341	C	S	.	.			trans	-84.7	129.5	178.4	174.4	-99.4	0	0	0	111.3	C478 L481 N632 E641 C644	C478-F639 HydrophobicContact CB-CB 3.67Å; L481-F639 HydrophobicContact CB-CD2 3.68Å; L481-F639 HydrophobicContact CB-CE2 3.83Å; L481-F639 HydrophobicContact CB-CG 4.18Å; L481-F639 HydrophobicContact CB-CZ 4.43Å; L481-F639 HydrophobicContact CD1-CD2 4.15Å; L481-F639 HydrophobicContact CD1-CE2 3.67Å; L481-F639 HydrophobicContact CD1-CZ 4.5Å; L481-F639 HydrophobicContact CG-CD2 4.48Å; L481-F639 HydrophobicContact CG-CE2 4.37Å; N632-F639 HydrophobicContact CB-CB 4.47Å; F639-E641 HydrophobicContact CE1-CB 3.98Å; F639-E641 HydrophobicContact CZ-CB 4.2Å; F639-C644 HydrophobicContact CE2-CB 3.88Å; F639-C644 HydrophobicContact CZ-CB 4.28Å
640	N	85.4	Confident	79.7	Confident	67 Å²	67	65.1 Å²	65.1	36%	0.358	34%	0.337	S	S	.	.			trans	-119.2	126.1	162.7	178.4	-1.8	0	0	0	108.2	E642 K643	N640-E642 VanDerWaalsContact C-N 3.33Å; N640-E642 PolarHBondContact ND2-OE2 3.47Å; N640-E642 PolarHBondContact O-N 2.67Å; N640-E642 WeakPolarHBondContact OD1-CG 3.23Å; N640-E642 PolarHBondContact OD1-N 2.91Å; N640-K643 HydrophobicContact CB-CG 4.47Å; N640-K643 PolarHBondContact O-N 3.09Å
641	E	82.7	Confident	77.2	Confident	108 Å²	108	69.8 Å²	69.8	51%	0.505	37%	0.367	S	S	.	.	G	3₁₀ helix	trans	-61.3	-37.6	-179.2	-173.6	168.6	-177	0	0	112.9	K484 F639 K643 C644	K484-E641 WeakPolarHBondContact CD-OE1 3.47Å; K484-E641 VanDerWaalsContact CE-OE1 3.26Å; K484-E641 WeakPolarHBondContact CE-OE1 3.16Å; K484-E641 IonicContact NZ-OE1 3.06Å; K484-E641 PolarHBondContact NZ-OE1 3.32Å; F639-E641 HydrophobicContact CE1-CB 3.98Å; F639-E641 HydrophobicContact CZ-CB 4.2Å; E641-K643 PolarHBondContact O-N 3.17Å; E641-K643 VanDerWaalsContact O-N 3.15Å; E641-C644 PolarHBondContact O-N 2.7Å
642	E	80.8	Confident	74.5	Confident	170 Å²	170	79.3 Å²	79.3	79%	0.794	41%	0.408	S	S	*	.	G	3₁₀ helix	trans	-59	-28.8	179.5	-59.8	171.4	145.1	0	0	112.9	N640	N640-E642 VanDerWaalsContact C-N 3.33Å; N640-E642 PolarHBondContact ND2-OE2 3.47Å; N640-E642 PolarHBondContact O-N 2.67Å; N640-E642 WeakPolarHBondContact OD1-CG 3.23Å; N640-E642 PolarHBondContact OD1-N 2.91Å
643	K	78.2	Confident	71.7	Confident	170 Å²	170	86.3 Å²	86.3	74%	0.739	45%	0.445	S	S	*	.	G	3₁₀ helix	trans	-90.7	-7.5	-177.9	-63.5	-173	177.5	-177.2	0	113.2	N640 E641 T645	N640-K643 HydrophobicContact CB-CG 4.47Å; N640-K643 PolarHBondContact O-N 3.09Å; E641-K643 PolarHBondContact O-N 3.17Å; E641-K643 VanDerWaalsContact O-N 3.15Å; K643-T645 PolarHBondContact O-N 3.23Å; K643-T645 VanDerWaalsContact O-N 3.12Å
644	C	81.2	Confident	69	Low	7 Å²	7	93.7 Å²	93.7	5%	0.047	48%	0.479	C	S	.	.			trans	-88.1	80.1	-174.3	-168.1	0	0	0	0	111.5	F639 E641 F646 C647	F639-C644 HydrophobicContact CE2-CB 3.88Å; F639-C644 HydrophobicContact CZ-CB 4.28Å; E641-C644 PolarHBondContact O-N 2.7Å; C644-F646 PolarHBondContact O-N 2.99Å; C644-F646 WeakPolarHBondContact SG-CE1 2.97Å; C644-F646 WeakPolarHBondContact SG-CZ 3.04Å; C644-C647 HydrophobicContact CB-CB 3.53Å; C644-C647 WeakPolarHBondContact CB-SG 3.12Å; C644-C647 WeakPolarHBondContact O-CB 3.29Å; C644-C647 PolarHBondContact O-N 2.74Å; C644-C647 WeakPolarHBondContact SG-CB 3.25Å; C644-C647 PolarHBondContact SG-N 3.24Å; C644-C647 CovalentContact SG-SG 2.02Å; C644-C647 PolarHBondContact SG-SG 3.43Å
645	T	76.7	Confident	66.4	Low	90 Å²	90	98.4 Å²	98.4	55%	0.552	50%	0.495	S	S	*	.	G	3₁₀ helix	trans	-48.5	-53.8	176.6	50.7	0	0	0	0	112.1	K643 C647 Q648	K643-T645 PolarHBondContact O-N 3.23Å; K643-T645 VanDerWaalsContact O-N 3.12Å; T645-C647 VanDerWaalsContact C-N 3.26Å; T645-C647 PolarHBondContact O-N 3.45Å; T645-Q648 WeakPolarHBondContact O-CB 3.48Å; T645-Q648 WeakPolarHBondContact O-CG 3.45Å; T645-Q648 PolarHBondContact O-N 3.08Å
646	F	78.4	Confident	63.7	Low	30 Å²	30	101.1 Å²	101.1	13%	0.132	51%	0.512	C	S	.	.	G	3₁₀ helix	trans	-72.2	-11.4	-179.8	74.2	-87.2	0	0	0	114.5	K459 R462 L481 I485 C644 Q648	K459-F646 WeakPolarHBondContact CE-O 3.45Å; K459-F646 PolarHBondContact NZ-O 3.46Å; R462-F646 HydrophobicContact CB-CE2 4.42Å; R462-F646 HydrophobicContact CG-CD2 4.26Å; R462-F646 HydrophobicContact CG-CE1 4.45Å; R462-F646 HydrophobicContact CG-CE2 4Å; R462-F646 HydrophobicContact CG-CZ 4.12Å; R462-F646 VanDerWaalsContact CZ-CD1 3.42Å; R462-F646 VanDerWaalsContact NE-CD1 3.31Å; L481-F646 HydrophobicContact CD1-CE2 3.98Å; L481-F646 HydrophobicContact CD1-CZ 3.67Å; I485-F646 HydrophobicContact CD1-CD2 4.33Å; I485-F646 HydrophobicContact CD1-CE2 3.96Å; C644-F646 PolarHBondContact O-N 2.99Å; C644-F646 WeakPolarHBondContact SG-CE1 2.97Å; C644-F646 WeakPolarHBondContact SG-CZ 3.04Å; F646-Q648 VanDerWaalsContact C-N 3.25Å
647	C	78.4	Confident	61.2	Low	2 Å²	2	105.1 Å²	105.1	1%	0.014	53%	0.533	C	S	.	.	G	3₁₀ helix	trans	-72.7	-22.7	171.5	-70.5	0	0	0	0	111.6	K459 K484 C644 T645	K459-C647 PolarHBondContact NZ-O 3.27Å; K484-C647 HydrophobicContact CG-CB 3.82Å; C644-C647 HydrophobicContact CB-CB 3.53Å; C644-C647 WeakPolarHBondContact CB-SG 3.12Å; C644-C647 WeakPolarHBondContact O-CB 3.29Å; C644-C647 PolarHBondContact O-N 2.74Å; C644-C647 WeakPolarHBondContact SG-CB 3.25Å; C644-C647 PolarHBondContact SG-N 3.24Å; C644-C647 CovalentContact SG-SG 2.02Å; C644-C647 PolarHBondContact SG-SG 3.43Å; T645-C647 VanDerWaalsContact C-N 3.26Å; T645-C647 PolarHBondContact O-N 3.45Å
648	Q	65.6	Low	58.7	Low	143 Å²	143	110.5 Å²	110.5	67%	0.668	56%	0.555	S	S	*	*	S	Bend	trans	-62	155.8	-179.4	-63.2	-169.7	1.1	0	0	111.4	K459 T645 F646	K459-Q648 PolarHBondContact NZ-O 3.09Å; T645-Q648 WeakPolarHBondContact O-CB 3.48Å; T645-Q648 WeakPolarHBondContact O-CG 3.45Å; T645-Q648 PolarHBondContact O-N 3.08Å; F646-Q648 VanDerWaalsContact C-N 3.25Å
649	H	57.3	Low	56	Low	86 Å²	86	113.4 Å²	113.4	40%	0.398	57%	0.57	S	S	.	*	P	Polyproline II helix	trans	-91.2	135.3	171.3	-118	69.2	0	0	0	108.6	D488 R491 P651	D488-H649 IonicContact OD1-CE1 2.83Å; D488-H649 IonicContact OD1-ND1 3.93Å; D488-H649 PolarHBondContact OD1-ND1 3.26Å; D488-H649 IonicContact OD2-CE1 3.32Å; D488-H649 PolarHBondContact OD2-CE1 3.19Å; D488-H649 VanDerWaalsContact OD2-CE1 3.23Å; D488-H649 IonicContact OD2-ND1 3.58Å; D488-H649 PolarHBondContact OD2-ND1 3.35Å; R491-H649 VanDerWaalsContact CZ-CE1 3.43Å; R491-H649 PolarHBondContact NH1-CD2 3.2Å; R491-H649 PolarHBondContact NH1-CE1 2.91Å; R491-H649 VanDerWaalsContact NH1-CE1 3.34Å; R491-H649 PolarHBondContact NH1-NE2 2.78Å; R491-H649 PolarHBondContact NH2-CE1 3.4Å; R491-H649 PolarHBondContact NH2-ND1 3Å; H649-P651 WeakPolarHBondContact O-CD 2.92Å
650	E	47.3	Very low	53.5	Low	100 Å²	100	118.7 Å²	118.7	47%	0.467	60%	0.6	S	S	.	*	P	Polyproline II helix	trans	-58.6	122.6	164.2	-71	165.4	163.2	0	0	107.7	W156 K652	W156-E650 WeakPolarHBondContact CH2-OE1 3.28Å; E650-K652 PolarHBondContact O-N 3.03Å
651	P	35	Very low	50.8	Low	100 Å²	100	120.4 Å²	120.4	65%	0.649	62%	0.618	S	S	*	*	P	Polyproline II helix	trans	-65.8	129.2	174.3	27.3	-31.9	0	0	0	107.8	H649 L653	H649-P651 WeakPolarHBondContact O-CD 2.92Å; P651-L653 PolarHBondContact O-N 2.98Å
652	K	32.6	Very low	48.6	Very low	203 Å²	203	124.8 Å²	124.8	88%	0.883	64%	0.638	S	S	*	*	P	Polyproline II helix	trans	-52.3	129.6	155.9	-74	-169.8	174.2	-170.8	0	106.7	E650 Q654	E650-K652 PolarHBondContact O-N 3.03Å; K652-Q654 PolarHBondContact O-N 2.85Å; K652-Q654 VanDerWaalsContact O-N 3.11Å
653	L	28.6	Very low	46.2	Very low	172 Å²	172	123.2 Å²	123.2	90%	0.901	64%	0.635	S	S	*	*	P	Polyproline II helix	trans	-47	118.8	-169.9	-169.1	73.6	0	0	0	110.3	P651 E655	P651-L653 PolarHBondContact O-N 2.98Å; L653-E655 PolarHBondContact O-N 2.83Å; L653-E655 VanDerWaalsContact O-N 3.13Å
654	Q	28.9	Very low	44	Very low	156 Å²	156	122.5 Å²	122.5	73%	0.729	63%	0.634	S	S	*	*			trans	-72.1	109.4	-170.9	-70.2	179.7	-57.7	0	0	110.9	K652 T656	K652-Q654 PolarHBondContact O-N 2.85Å; K652-Q654 VanDerWaalsContact O-N 3.11Å; Q654-T656 PolarHBondContact O-N 3.14Å; Q654-T656 PolarHBondContact O-OG1 2.82Å; Q654-T656 VanDerWaalsContact O-OG1 3.1Å
655	E	29.4	Very low	41.5	Very low	178 Å²	178	129.7 Å²	129.7	83%	0.832	67%	0.672	S	S	*	*			trans	-59	111.5	165.7	-70.5	-174.4	134.3	0	0	109.2	L653 I657	L653-E655 PolarHBondContact O-N 2.83Å; L653-E655 VanDerWaalsContact O-N 3.13Å; E655-I657 VanDerWaalsContact C-N 3.33Å; E655-I657 PolarHBondContact O-N 3.12Å
656	T	27.9	Very low	39.4	Very low	130 Å²	130	131.1 Å²	131.1	80%	0.798	69%	0.686	S	S	*	*			trans	-89.5	71.8	-165	-13.7	0	0	0	0	110	Q654 I658	Q654-T656 PolarHBondContact O-N 3.14Å; Q654-T656 PolarHBondContact O-OG1 2.82Å; Q654-T656 VanDerWaalsContact O-OG1 3.1Å; T656-I658 PolarHBondContact O-N 3.48Å; T656-I658 VanDerWaalsContact O-N 3.14Å
657	I	34	Very low	37.1	Very low	145 Å²	145	138 Å²	138	74%	0.744	72%	0.724	S	S	*	*			trans	-69.2	111.2	176.5	-59.4	-178.1	0	0	0	109	E655 T659	E655-I657 VanDerWaalsContact C-N 3.33Å; E655-I657 PolarHBondContact O-N 3.12Å; I657-T659 PolarHBondContact O-N 3.04Å
658	I	33.7	Very low	34.9	Very low	147 Å²	147	146.6 Å²	146.6	75%	0.754	76%	0.764	S	S	*	*			trans	-68.4	120.1	-179.6	-62.4	170.6	0	0	0	109.1	T656 N660	T656-I658 PolarHBondContact O-N 3.48Å; T656-I658 VanDerWaalsContact O-N 3.14Å; I658-N660 PolarHBondContact O-N 3.3Å
659	T	28	Very low	33.2	Very low	132 Å²	132	149.5 Å²	149.5	81%	0.81	77%	0.774	S	S	*	*			trans	-70.2	119.4	171.2	50.3	0	0	0	0	110.4	I657	I657-T659 PolarHBondContact O-N 3.04Å
660	N	34.1	Very low	32	Very low	156 Å²	156	153 Å²	153	83%	0.834	80%	0.795	S	S	*	*			trans	-128.9	127.3	157.4	-101.4	-22.1	0	0	0	108.7	I658	I658-N660 PolarHBondContact O-N 3.3Å
661	S	29.2	Very low	31.2	Very low	103 Å²	103	152.9 Å²	152.9	72%	0.72	80%	0.803	S	S	*	*			trans	-83.5	138.7	-177.7	52.7	0	0	0	0	111.9
662	H	34.7	Very low	31.2	Very low	200 Å²	200	154.6 Å²	154.6	93%	0.926	81%	0.814	S	S	*	*			trans	-148.5	163.6	142.8	-101.8	-71.5	0	0	0	110.6
663	N	30.3	Very low	31.3	Very low	138 Å²	138	150 Å²	150	74%	0.738	81%	0.807	S	S	*	*			trans	-99.6	179.8	-159.6	-103.7	4.9	0	0	0	114.4
664	E	32.7	Very low	31.5	Very low	155 Å²	155	153 Å²	153	72%	0.724	81%	0.807	S	S	*	*			trans	83.5	96.7	148.3	-80.5	145	-120.1	0	0	120.5
665	N	28.6	Very low	31.6	Very low	158 Å²	158	154.9 Å²	154.9	85%	0.845	81%	0.813	S	S	*	*				45.9	100.6	116.8	-64.6	-18	0	0	0	119.5
666	S	33.3	Very low	31.9	Very low	120 Å²	120	154.5 Å²	154.5	84%	0.839	81%	0.811	S	S	*	*			trans	-148.1	135.4	137.3	54.8	0	0	0	0	111.2
667	N	28.7	Very low	32	Very low	175 Å²	175	158.5 Å²	158.5	94%	0.936	81%	0.811	S	S	*	*			trans	-91.8	118.5	173.3	-76.5	-66.9	0	0	0	109.1
668	E	34.1	Very low	32.2	Very low	181 Å²	181	156.8 Å²	156.8	85%	0.846	81%	0.808	S	S	*	*			trans	-139.4	141.4	166.5	-164.5	157.1	-140.1	0	0	112
669	K	29.1	Very low	32.1	Very low	204 Å²	204	154.3 Å²	154.3	89%	0.887	80%	0.803	S	S	*	*			trans	-103.1	110.7	-173.1	-69.4	176.6	178.6	174.2	0	110.6
670	L	32.4	Very low	32.2	Very low	159 Å²	159	155.8 Å²	155.8	83%	0.832	80%	0.799	S	S	*	*			trans	-92.6	135.4	166.4	-106.3	67.7	0	0	0	111.7
671	P	31.1	Very low	32.1	Very low	99 Å²	99	153.5 Å²	153.5	64%	0.643	79%	0.785	S	S	*	*			trans	-79.1	150.9	179.4	31.9	-34.9	0	0	0	112.6	S673	P671-S673 PolarHBondContact O-N 2.89Å
672	P	35	Very low	32.4	Very low	135 Å²	135	153.9 Å²	153.9	88%	0.877	79%	0.785	S	S	*	*			trans	-75.9	86	-173.2	31.1	-36.2	0	0	0	112.8	R674	P672-R674 PolarHBondContact O-N 2.98Å
673	S	33.3	Very low	32.4	Very low	106 Å²	106	148.9 Å²	148.9	74%	0.741	77%	0.769	S	S	*	*			trans	-72.2	107.9	177.3	-68.4	0	0	0	0	112.9	P671 K675	P671-S673 PolarHBondContact O-N 2.89Å; S673-K675 PolarHBondContact O-N 3.37Å
674	R	32.2	Very low	32.3	Very low	236 Å²	236	149.8 Å²	149.8	89%	0.891	77%	0.774	S	S	*	*			trans	44.3	63.5	145.4	-153.7	179.6	-156.9	167.4	6.3	117.3	P672 Q676	P672-R674 PolarHBondContact O-N 2.98Å; R674-Q676 PolarHBondContact O-N 2.79Å
675	K	33	Very low	32.4	Very low	196 Å²	196	148.8 Å²	148.8	85%	0.852	77%	0.774	S	S	*	*			trans	-61.8	119.2	169.6	-70.8	-169.2	175.1	-172.7	0	111.5	S673	S673-K675 PolarHBondContact O-N 3.37Å
676	Q	34	Very low	32.6	Very low	169 Å²	169	149.2 Å²	149.2	79%	0.79	77%	0.774	S	S	*	*			trans	-73.1	167.7	173.4	-71.1	177.3	-39.8	0	0	112.2	R674 T678	R674-Q676 PolarHBondContact O-N 2.79Å; Q676-T678 VanDerWaalsContact C-N 3.31Å; Q676-T678 PolarHBondContact O-N 2.76Å
677	R	30.4	Very low	32.4	Very low	215 Å²	215	150.9 Å²	150.9	81%	0.811	77%	0.769	S	S	*	*	S	Bend	trans	-73.8	70.9	179.7	-76.1	179.9	165.8	176.8	-4.2	112.9
678	T	37.7	Very low	32.6	Very low	108 Å²	108	151.7 Å²	151.7	66%	0.663	77%	0.767	S	S	*	*	S	Bend	trans	-135	155.1	164.3	53.3	0	0	0	0	111.4	Q676 F680	Q676-T678 VanDerWaalsContact C-N 3.31Å; Q676-T678 PolarHBondContact O-N 2.76Å; T678-F680 VanDerWaalsContact C-N 3.34Å; T678-F680 PolarHBondContact O-N 3Å
679	S	31.9	Very low	32.3	Very low	95 Å²	95	151.3 Å²	151.3	66%	0.664	77%	0.765	S	S	*	*			trans	-78.5	73.1	-174.4	35.2	0	0	0	0	112.5	I681	S679-I681 PolarHBondContact O-N 3.07Å
680	F	30	Very low	32.5	Very low	163 Å²	163	146.4 Å²	146.4	72%	0.715	76%	0.756	S	S	*	*			trans	-73.6	91.8	179.6	-133	-75.8	0	0	0	112.4	T678	T678-F680 VanDerWaalsContact C-N 3.34Å; T678-F680 PolarHBondContact O-N 3Å
681	I	33.5	Very low	32.3	Very low	108 Å²	108	143.5 Å²	143.5	55%	0.554	75%	0.75	S	S	*	*			trans	-90.4	142.6	160	-62.4	176.9	0	0	0	107.1	S679 T683	S679-I681 PolarHBondContact O-N 3.07Å; I681-T683 PolarHBondContact O-N 2.76Å
682	P	34.6	Very low	32.4	Very low	111 Å²	111	146 Å²	146	72%	0.721	76%	0.756	S	S	*	*			trans	-64.5	117.8	-173.5	-22.2	34.1	0	0	0	113.3
683	T	34.5	Very low	32.1	Very low	96 Å²	96	144.1 Å²	144.1	59%	0.589	75%	0.746	S	S	*	*			trans	-82.2	113.6	162	46.6	0	0	0	0	108.8	I681 D685	I681-T683 PolarHBondContact O-N 2.76Å; T683-D685 PolarHBondContact O-N 2.93Å
684	N	29.3	Very low	32.2	Very low	156 Å²	156	147.3 Å²	147.3	83%	0.834	75%	0.749	S	S	*	*			trans	-82.1	66.3	171.2	-86.6	10.3	0	0	0	110
685	D	33.4	Very low	32.3	Very low	135 Å²	135	142.5 Å²	142.5	72%	0.722	75%	0.746	S	S	*	*			trans	-123	121	173.5	-63.8	-69	0	0	0	108.1	T683	T683-D685 PolarHBondContact O-N 2.93Å
686	I	33.2	Very low	32.1	Very low	167 Å²	167	140.8 Å²	140.8	86%	0.856	75%	0.746	S	S	*	*			trans	-86.5	143.4	-172.9	-68.2	173.3	0	0	0	110.5
687	Q	29.5	Very low	32.1	Very low	154 Å²	154	139.3 Å²	139.3	72%	0.72	74%	0.744	S	S	*	*			trans	-64	133.6	-172.6	-60.9	168.9	-83.6	0	0	113.4
688	Q	32.2	Very low	32.2	Very low	193 Å²	193	136.4 Å²	136.4	90%	0.902	74%	0.744	S	S	*	*			trans	-122.3	125.4	140.8	-76.8	-169	-21.2	0	0	108.9
689	Q	28.4	Very low	31.9	Very low	173 Å²	173	140.1 Å²	140.1	81%	0.808	76%	0.758	S	S	*	*			trans	-112.2	111	176.9	-76.1	-176	-48.7	0	0	110.3
690	S	32.3	Very low	32.1	Very low	100 Å²	100	140 Å²	140	70%	0.699	76%	0.757	S	S	*	*			trans	-156	92.1	160.1	54.3	0	0	0	0	106.9
691	S	29.7	Very low	32.2	Very low	99 Å²	99	134.9 Å²	134.9	69%	0.692	75%	0.746	S	S	*	*				87.3	139	74.3	65.8	0	0	0	0	111.9
692	I	32.1	Very low	32	Very low	152 Å²	152	135.3 Å²	135.3	78%	0.779	76%	0.758	S	S	*	*			trans	70.7	95.2	178.8	-48.9	167.2	0	0	0	110.9
693	S	29.9	Very low	31.9	Very low	95 Å²	95	137.6 Å²	137.6	66%	0.664	76%	0.762	S	S	*	*				83.6	144.4	53.6	79.2	0	0	0	0	115
694	E	34.5	Very low	31.7	Very low	173 Å²	173	137.8 Å²	137.8	81%	0.808	77%	0.774	S	S	*	*			trans	90.9	137.6	166.4	-54.1	-166.6	137.1	0	0	120.3
695	T	34.1	Very low	31.8	Very low	134 Å²	134	134.1 Å²	134.1	82%	0.822	76%	0.76	S	S	*	*			trans	65	109.9	159.9	48.8	0	0	0	0	121.3
696	D	28.1	Very low	31.7	Very low	161 Å²	161	133.9 Å²	133.9	86%	0.861	76%	0.764	S	S	*	*			trans	-54.7	125.4	151.1	-48.2	-99.1	0	0	0	112.1
697	D	34.7	Very low	31.8	Very low	138 Å²	138	132.7 Å²	132.7	74%	0.738	76%	0.76	S	S	*	*			trans	-164.5	10	152.2	-122.5	-18	0	0	0	116.2	S700	D697-S700 PolarHBondContact O-OG 3.03Å
698	L	32.4	Very low	32	Very low	153 Å²	153	135.8 Å²	135.8	80%	0.801	77%	0.766	S	S	*	*	T	Hydrogen-bonded Turn	trans	-98.4	18.5	-168.7	-80.6	174.2	0	0	0	116.7
699	L	32.6	Very low	32	Very low	186 Å²	186	134.4 Å²	134.4	97%	0.974	76%	0.764	S	S	*	*	T	Hydrogen-bonded Turn	trans	-100.3	10.4	177.2	-73.5	175.5	0	0	0	114.8
700	S	34.4	Very low	32.2	Very low	92 Å²	92	133.2 Å²	133.2	64%	0.643	76%	0.763	S	S	*	*	S	Bend	trans	-122.8	-13.8	-174	55.1	0	0	0	0	114.9	D697	D697-S700 PolarHBondContact O-OG 3.03Å
701	A	32.4	Very low	32.2	Very low	57 Å²	57	136.1 Å²	136.1	47%	0.471	77%	0.77	S	S	.	*			trans	-95.2	-11.3	-162.9	0	0	0	0	0	116.8	I703	A701-I703 PolarHBondContact O-N 3.07Å
702	S	29.7	Very low	32.1	Very low	116 Å²	116	136.6 Å²	136.6	81%	0.811	77%	0.765	S	S	*	*			trans	-83.1	12.6	-171.7	-54.5	0	0	0	0	115.3
703	I	32.8	Very low	32.1	Very low	159 Å²	159	135.9 Å²	135.9	82%	0.815	77%	0.77	S	S	*	*	S	Bend	trans	-106.4	121.6	170.2	-58.4	178.7	0	0	0	107.6	A701	A701-I703 PolarHBondContact O-N 3.07Å
704	A	30.7	Very low	32.2	Very low	100 Å²	100	135.3 Å²	135.3	83%	0.826	77%	0.766	S	S	*	*	S	Bend	trans	73.1	57.9	179.1	0	0	0	0	0	117.8
705	S	31.4	Very low	32	Very low	79 Å²	79	137 Å²	137	55%	0.552	77%	0.765	S	S	*	*			trans	-145	61.8	159.2	57.2	0	0	0	0	114	N707	S705-N707 PolarHBondContact O-N 3.2Å
706	T	30.3	Very low	32	Very low	130 Å²	130	136.2 Å²	136.2	80%	0.798	76%	0.756	S	S	*	*	T	Hydrogen-bonded Turn	trans	-62.1	102.9	166.3	47.8	0	0	0	0	110.4
707	N	34.8	Very low	32.5	Very low	143 Å²	143	129.5 Å²	129.5	77%	0.765	72%	0.722	S	S	*	*	T	Hydrogen-bonded Turn	trans	171.4	-11	150.6	-88.3	-15.9	0	0	0	114.2	S705	S705-N707 PolarHBondContact O-N 3.2Å
708	Y	34.5	Very low	32.8	Very low	218 Å²	218	128 Å²	128	86%	0.855	72%	0.72	S	S	*	*	S	Bend	trans	-88.5	3.2	-174.5	-79.8	-80.8	0	0	0	116.4
709	L	33	Very low	33.3	Very low	165 Å²	165	124 Å²	124	86%	0.864	70%	0.699	S	S	*	*			trans	-89.3	3.8	-170.6	-71	171.7	0	0	0	116
710	L	32.3	Very low	34	Very low	148 Å²	148	118.6 Å²	118.6	78%	0.775	67%	0.669	S	S	*	*	S	Bend	trans	-94.9	-10.9	-162.2	-91.8	159.6	0	0	0	117.4
711	N	31.7	Very low	34.9	Very low	160 Å²	160	119.8 Å²	119.8	86%	0.856	66%	0.664	S	S	*	*	S	Bend	trans	-126.4	46.8	-167.5	-77.8	-15.8	0	0	0	114.8
712	N	28.8	Very low	36	Very low	110 Å²	110	121 Å²	121	59%	0.588	66%	0.662	S	S	*	*			trans	-145.5	110.6	168.8	-154.4	-6.7	0	0	0	112.7	S714	N712-S714 VanDerWaalsContact C-N 3.28Å; N712-S714 PolarHBondContact O-N 2.97Å; N712-S714 VanDerWaalsContact O-N 3.11Å
713	P	31	Very low	37.3	Very low	136 Å²	136	117.2 Å²	117.2	88%	0.883	63%	0.631	S	S	*	*			trans	-85.6	27.4	-164.9	35.9	-38.5	0	0	0	115.1
714	S	31.7	Very low	38.6	Very low	83 Å²	83	113.5 Å²	113.5	58%	0.58	61%	0.61	S	S	*	*			trans	-110	12.3	-170.9	67.7	0	0	0	0	115.3	N712 N716	N712-S714 VanDerWaalsContact C-N 3.28Å; N712-S714 PolarHBondContact O-N 2.97Å; N712-S714 VanDerWaalsContact O-N 3.11Å; S714-N716 PolarHBondContact O-N 3.39Å
715	W	30.8	Very low	40.4	Very low	208 Å²	208	111 Å²	111	79%	0.788	58%	0.583	S	S	*	*			trans	-88.8	95.1	-177.7	-71.2	93.8	0	0	0	112.3
716	N	33.4	Very low	42	Very low	118 Å²	118	109 Å²	109	63%	0.631	57%	0.571	S	S	*	*			trans	-50	145.7	154.2	-69.1	-28.2	0	0	0	109.4	S714 Q720	S714-N716 PolarHBondContact O-N 3.39Å; N716-Q720 VanDerWaalsContact CB-OE1 3.24Å; N716-Q720 PolarHBondContact OD1-OE1 3.1Å
717	S	39.6	Very low	43.8	Very low	21 Å²	21	103.8 Å²	103.8	15%	0.147	54%	0.537	C	S	.	.			trans	-61.1	143.9	-176.7	72.1	0	0	0	0	110.7	E119 L719 Q720 H721	E119-S717 WeakPolarHBondContact OE2-CB 3.35Å; E119-S717 PolarHBondContact OE2-OG 2.81Å; S717-L719 PolarHBondContact O-N 3.37Å; S717-Q720 WeakPolarHBondContact O-CA 3.37Å; S717-Q720 WeakPolarHBondContact O-CB 3.47Å; S717-Q720 PolarHBondContact O-N 3.22Å; S717-Q720 VanDerWaalsContact OG-CB 3.26Å; S717-Q720 WeakPolarHBondContact OG-CB 3.11Å; S717-Q720 PolarHBondContact OG-N 3.43Å; S717-Q720 VanDerWaalsContact OG-N 3.1Å; S717-H721 PolarHBondContact O-N 2.62Å
718	P	40.4	Very low	45.5	Very low	107 Å²	107	104.2 Å²	104.2	70%	0.695	53%	0.528	S	S	*	.	H	α-helix	trans	-54.8	-27.5	179.5	-27.2	35.1	0	0	0	112.9	H721 D722	P718-H721 WeakPolarHBondContact O-CB 3.46Å; P718-H721 PolarHBondContact O-N 3.1Å; P718-D722 PolarHBondContact O-N 3.32Å
719	L	43.9	Very low	47.3	Very low	69 Å²	69	99.5 Å²	99.5	36%	0.361	51%	0.509	S	S	.	.	H	α-helix	trans	-84	-29.8	-178.7	-124.3	52.2	0	0	0	111.7	Y120 S717 H721 D722 K723	Y120-L719 HydrophobicContact CD1-CD2 3.58Å; Y120-L719 HydrophobicContact CD1-CG 3.93Å; Y120-L719 HydrophobicContact CD2-CB 3.61Å; Y120-L719 HydrophobicContact CD2-CD2 3.68Å; Y120-L719 HydrophobicContact CD2-CG 3.79Å; Y120-L719 HydrophobicContact CE1-CB 4.45Å; Y120-L719 HydrophobicContact CE1-CD2 3.93Å; Y120-L719 HydrophobicContact CE1-CG 3.73Å; Y120-L719 HydrophobicContact CE2-CB 3.36Å; Y120-L719 HydrophobicContact CE2-CD2 4.04Å; Y120-L719 HydrophobicContact CE2-CG 3.6Å; Y120-L719 HydrophobicContact CG-CB 4.25Å; Y120-L719 HydrophobicContact CG-CD2 3.41Å; Y120-L719 VanDerWaalsContact CG-CD2 3.41Å; Y120-L719 HydrophobicContact CG-CG 3.93Å; Y120-L719 PolarHBondContact OH-O 2.94Å; S717-L719 PolarHBondContact O-N 3.37Å; L719-H721 VanDerWaalsContact C-N 3.3Å; L719-D722 PolarHBondContact O-N 2.77Å; L719-K723 PolarHBondContact O-N 3.23Å
720	Q	47.4	Very low	49.1	Very low	72 Å²	72	92.5 Å²	92.5	34%	0.336	47%	0.474	S	S	.	.	H	α-helix	trans	-65.7	-33.5	164.6	-170.5	179.4	44.7	0	0	111.6	N716 S717 K723 E724	N716-Q720 VanDerWaalsContact CB-OE1 3.24Å; N716-Q720 PolarHBondContact OD1-OE1 3.1Å; S717-Q720 WeakPolarHBondContact O-CA 3.37Å; S717-Q720 WeakPolarHBondContact O-CB 3.47Å; S717-Q720 PolarHBondContact O-N 3.22Å; S717-Q720 VanDerWaalsContact OG-CB 3.26Å; S717-Q720 WeakPolarHBondContact OG-CB 3.11Å; S717-Q720 PolarHBondContact OG-N 3.43Å; S717-Q720 VanDerWaalsContact OG-N 3.1Å; Q720-K723 PolarHBondContact O-N 3.46Å; Q720-E724 WeakPolarHBondContact O-CB 3.45Å; Q720-E724 PolarHBondContact O-N 2.86Å
721	H	51.6	Low	51.3	Low	117 Å²	117	87 Å²	87	54%	0.542	45%	0.446	S	S	.	.	H	α-helix	trans	-63	-41	169.9	-174.9	98.5	0	0	0	111.7	S717 P718 L719 E724 L725	S717-H721 PolarHBondContact O-N 2.62Å; P718-H721 WeakPolarHBondContact O-CB 3.46Å; P718-H721 PolarHBondContact O-N 3.1Å; L719-H721 VanDerWaalsContact C-N 3.3Å; H721-E724 PolarHBondContact O-N 2.93Å; H721-L725 WeakPolarHBondContact O-CB 3.37Å; H721-L725 PolarHBondContact O-N 2.87Å
722	D	55.4	Low	53.3	Low	81 Å²	81	84.6 Å²	84.6	43%	0.433	43%	0.43	S	S	.	.	H	α-helix	trans	-64.9	-38.8	175.1	-76.4	-33.4	0	0	0	113.4	P718 L719 L725 A726	P718-D722 PolarHBondContact O-N 3.32Å; L719-D722 PolarHBondContact O-N 2.77Å; D722-L725 PolarHBondContact O-N 3.48Å; D722-A726 WeakPolarHBondContact O-CB 3.45Å; D722-A726 PolarHBondContact O-N 3.18Å
723	K	57.2	Low	55.4	Low	37 Å²	37	82.7 Å²	82.7	16%	0.161	42%	0.419	C	S	.	.	H	α-helix	trans	-58.6	-53.7	170.7	-91.4	155.5	-177.2	172.7	0	111.5	E119 Y120 Q453 L719 Q720 L725 A726 F727	E119-K723 PolarHBondContact O-NZ 3.35Å; Y120-K723 HydrophobicContact CE2-CD 3.68Å; Y120-K723 VanDerWaalsContact OH-CD 3.31Å; Y120-K723 WeakPolarHBondContact OH-CD 3.3Å; Y120-K723 WeakPolarHBondContact OH-CE 3.36Å; Y120-K723 VanDerWaalsContact OH-CG 3.3Å; Y120-K723 WeakPolarHBondContact OH-CG 3.45Å; Q453-K723 VanDerWaalsContact OE1-CD 3.3Å; L719-K723 PolarHBondContact O-N 3.23Å; Q720-K723 PolarHBondContact O-N 3.46Å; K723-L725 VanDerWaalsContact C-N 3.28Å; K723-L725 PolarHBondContact O-N 3.37Å; K723-A726 PolarHBondContact O-N 3.41Å; K723-F727 VanDerWaalsContact O-CD2 3.29Å; K723-F727 WeakPolarHBondContact O-CD2 3.49Å; K723-F727 PolarHBondContact O-N 3.3Å
724	E	61.7	Low	57.5	Low	81 Å²	81	76.2 Å²	76.2	38%	0.379	38%	0.377	S	S	.	.	H	α-helix	trans	-57.2	-42.4	177.5	178.3	72.8	-157.9	0	0	110.9	Q720 H721 F727 R728	Q720-E724 WeakPolarHBondContact O-CB 3.45Å; Q720-E724 PolarHBondContact O-N 2.86Å; H721-E724 PolarHBondContact O-N 2.93Å; E724-F727 PolarHBondContact O-N 3.46Å; E724-R728 WeakPolarHBondContact O-CB 3.34Å; E724-R728 WeakPolarHBondContact O-CG 3.19Å; E724-R728 PolarHBondContact O-N 2.92Å; E724-R728 IonicContact OE1-CZ 2.89Å; E724-R728 IonicContact OE1-NE 2.93Å; E724-R728 PolarHBondContact OE1-NE 3.25Å; E724-R728 IonicContact OE1-NH2 3.62Å; E724-R728 PolarHBondContact OE1-NH2 2.03Å
725	L	67.7	Low	59.7	Low	49 Å²	49	74 Å²	74	26%	0.257	36%	0.359	S	S	.	.	H	α-helix	trans	-66.5	-38.3	177.2	-177.7	58.9	0	0	0	112.6	H721 D722 K723 R728 R729	H721-L725 WeakPolarHBondContact O-CB 3.37Å; H721-L725 PolarHBondContact O-N 2.87Å; D722-L725 PolarHBondContact O-N 3.48Å; K723-L725 VanDerWaalsContact C-N 3.28Å; K723-L725 PolarHBondContact O-N 3.37Å; L725-R728 PolarHBondContact O-N 3.06Å; L725-R729 HydrophobicContact CD1-CG 4.49Å; L725-R729 WeakPolarHBondContact O-CB 3.04Å; L725-R729 VanDerWaalsContact O-CG 3.23Å; L725-R729 WeakPolarHBondContact O-CG 3.43Å; L725-R729 PolarHBondContact O-N 2.73Å
726	A	65	Low	61.7	Low	35 Å²	35	67.8 Å²	67.8	29%	0.289	34%	0.336	S	S	.	.	H	α-helix	trans	-64.7	-44.9	174.6	0	0	0	0	0	111.9	D722 K723 R729 A730	D722-A726 WeakPolarHBondContact O-CB 3.45Å; D722-A726 PolarHBondContact O-N 3.18Å; K723-A726 PolarHBondContact O-N 3.41Å; A726-R729 PolarHBondContact O-N 3.21Å; A726-A730 WeakPolarHBondContact O-CB 3.41Å; A726-A730 PolarHBondContact O-N 3.42Å
727	F	68	Low	63.6	Low	21 Å²	21	62.5 Å²	62.5	9%	0.092	31%	0.309	C	S	.	.	H	α-helix	trans	-67.7	-35.2	175.1	-78.1	-69.6	0	0	0	112.9	F449 P492 L493 L496 K723 E724 N731	F449-F727 HydrophobicContact CD2-CZ 4Å; F449-F727 HydrophobicContact CE2-CE2 4.05Å; F449-F727 AromaticContact CE2-CZ 3.62Å; F449-F727 HydrophobicContact CE2-CZ 3.62Å; P492-F727 HydrophobicContact CB-CD2 4.23Å; P492-F727 HydrophobicContact CB-CE1 4.14Å; P492-F727 HydrophobicContact CB-CE2 3.57Å; P492-F727 HydrophobicContact CB-CZ 3.52Å; P492-F727 WeakPolarHBondContact O-CD1 3.15Å; P492-F727 VanDerWaalsContact O-CE1 3.23Å; P492-F727 WeakPolarHBondContact O-CE1 3.22Å; L493-F727 HydrophobicContact CD2-CE1 4.21Å; L493-F727 HydrophobicContact CD2-CZ 4.36Å; L496-F727 HydrophobicContact CD1-CD1 4.28Å; L496-F727 HydrophobicContact CD1-CE1 4.19Å; L496-F727 HydrophobicContact CD2-CD1 4.22Å; L496-F727 HydrophobicContact CG-CD1 4.22Å; L496-F727 HydrophobicContact CG-CE1 4.5Å; K723-F727 VanDerWaalsContact O-CD2 3.29Å; K723-F727 WeakPolarHBondContact O-CD2 3.49Å; K723-F727 PolarHBondContact O-N 3.3Å; E724-F727 PolarHBondContact O-N 3.46Å; F727-N731 WeakPolarHBondContact O-CB 3.33Å; F727-N731 PolarHBondContact O-N 3.44Å; F727-N731 PolarHBondContact O-ND2 2.98Å
728	R	70.6	Confident	65.4	Low	152 Å²	152	61.5 Å²	61.5	57%	0.574	30%	0.302	S	S	*	.	H	α-helix	trans	-63.6	-45.9	171.5	-74.8	172.2	-173.9	-161	5.4	111.8	E724 L725 N731 E732	E724-R728 WeakPolarHBondContact O-CB 3.34Å; E724-R728 WeakPolarHBondContact O-CG 3.19Å; E724-R728 PolarHBondContact O-N 2.92Å; E724-R728 IonicContact OE1-CZ 2.89Å; E724-R728 IonicContact OE1-NE 2.93Å; E724-R728 PolarHBondContact OE1-NE 3.25Å; E724-R728 IonicContact OE1-NH2 3.62Å; E724-R728 PolarHBondContact OE1-NH2 2.03Å; L725-R728 PolarHBondContact O-N 3.06Å; R728-N731 PolarHBondContact O-N 3.32Å; R728-E732 PolarHBondContact O-N 2.97Å
729	R	71.8	Confident	67.2	Low	119 Å²	119	62.2 Å²	62.2	45%	0.449	29%	0.29	S	S	.	.	H	α-helix	trans	-59.9	-46.5	175	-74.8	168.4	178.6	170.1	1.8	111.8	L725 A726 N731 E732 I733	L725-R729 HydrophobicContact CD1-CG 4.49Å; L725-R729 WeakPolarHBondContact O-CB 3.04Å; L725-R729 VanDerWaalsContact O-CG 3.23Å; L725-R729 WeakPolarHBondContact O-CG 3.43Å; L725-R729 PolarHBondContact O-N 2.73Å; A726-R729 PolarHBondContact O-N 3.21Å; R729-N731 VanDerWaalsContact C-N 3.34Å; R729-N731 PolarHBondContact O-N 2.93Å; R729-E732 PolarHBondContact O-N 2.86Å; R729-I733 WeakPolarHBondContact O-CD1 3.3Å; R729-I733 VanDerWaalsContact O-CG1 3.22Å; R729-I733 WeakPolarHBondContact O-CG1 3.02Å; R729-I733 PolarHBondContact O-N 3.28Å
730	A	71.5	Confident	68.6	Low	18 Å²	18	60.6 Å²	60.6	15%	0.149	28%	0.282	C	S	.	.	H	α-helix	trans	-59.8	-42.7	177.3	0	0	0	0	0	112.2	L442 L496 A726 L734	L442-A730 HydrophobicContact CD1-CB 4.38Å; L496-A730 HydrophobicContact CD2-CB 3.86Å; A726-A730 WeakPolarHBondContact O-CB 3.41Å; A726-A730 PolarHBondContact O-N 3.42Å; A730-L734 WeakPolarHBondContact O-CG 3.25Å; A730-L734 PolarHBondContact O-N 3.34Å; A730-L734 VanDerWaalsContact O-N 3.13Å
731	N	77.4	Confident	69.8	Low	32 Å²	32	57.4 Å²	57.4	17%	0.171	27%	0.267	C	S	.	.	H	α-helix	trans	-63.5	-44.2	173	-82.8	-62.2	0	0	0	112.6	Q499 F727 R728 R729 I733 L734 V735	Q499-N731 HydrophobicContact CG-CB 4.34Å; Q499-N731 WeakPolarHBondContact CG-OD1 3.23Å; F727-N731 WeakPolarHBondContact O-CB 3.33Å; F727-N731 PolarHBondContact O-N 3.44Å; F727-N731 PolarHBondContact O-ND2 2.98Å; R728-N731 PolarHBondContact O-N 3.32Å; R729-N731 VanDerWaalsContact C-N 3.34Å; R729-N731 PolarHBondContact O-N 2.93Å; N731-I733 VanDerWaalsContact C-N 3.34Å; N731-I733 PolarHBondContact O-N 2.79Å; N731-L734 PolarHBondContact O-N 3.08Å; N731-V735 WeakPolarHBondContact O-CB 3.25Å; N731-V735 VanDerWaalsContact O-CG2 3.28Å; N731-V735 WeakPolarHBondContact O-CG2 3.23Å; N731-V735 PolarHBondContact O-N 3.05Å
732	E	73.4	Confident	71.2	Confident	111 Å²	111	54.5 Å²	54.5	52%	0.519	25%	0.254	S	S	.	.	H	α-helix	trans	-59.6	-44.2	177.8	-169.9	-169.6	160.3	0	0	111.7	R728 R729 V735 R736	R728-E732 PolarHBondContact O-N 2.97Å; R729-E732 PolarHBondContact O-N 2.86Å; E732-V735 PolarHBondContact O-N 2.77Å; E732-R736 WeakPolarHBondContact O-CB 3.4Å; E732-R736 PolarHBondContact O-N 2.78Å
733	I	73.7	Confident	72.1	Confident	70 Å²	70	57.5 Å²	57.5	36%	0.359	26%	0.259	S	S	.	.	H	α-helix	trans	-66	-41	-179.7	-62.1	161.4	0	0	0	110.8	L438 R729 N731 R736 A737	L438-I733 HydrophobicContact CD1-CG2 3.42Å; L438-I733 VanDerWaalsContact CD1-CG2 3.42Å; L438-I733 HydrophobicContact CD2-CG2 3.77Å; L438-I733 HydrophobicContact CG-CG2 4.25Å; R729-I733 WeakPolarHBondContact O-CD1 3.3Å; R729-I733 VanDerWaalsContact O-CG1 3.22Å; R729-I733 WeakPolarHBondContact O-CG1 3.02Å; R729-I733 PolarHBondContact O-N 3.28Å; N731-I733 VanDerWaalsContact C-N 3.34Å; N731-I733 PolarHBondContact O-N 2.79Å; I733-R736 PolarHBondContact O-N 3.44Å; I733-A737 WeakPolarHBondContact O-CB 3.47Å; I733-A737 PolarHBondContact O-N 3.05Å
734	L	75.2	Confident	72.8	Confident	0 Å²	0	56.4 Å²	56.4	0%	0	26%	0.257	C	S	.	.	H	α-helix	trans	-65.1	-40.7	173.6	-73.7	171.2	0	0	0	112.7	L442 Q499 W500 F503 A730 N731 S738	L442-L734 HydrophobicContact CD1-CD1 3.84Å; L442-L734 HydrophobicContact CD1-CD2 4.06Å; L442-L734 HydrophobicContact CD1-CG 3.82Å; Q499-L734 HydrophobicContact CB-CB 3.86Å; Q499-L734 HydrophobicContact CB-CD1 4.23Å; W500-L734 HydrophobicContact CE3-CD1 4.17Å; W500-L734 HydrophobicContact CE3-CD2 3.74Å; W500-L734 HydrophobicContact CZ3-CD2 4.04Å; F503-L734 HydrophobicContact CB-CD2 4.15Å; F503-L734 HydrophobicContact CD1-CD2 3.94Å; F503-L734 HydrophobicContact CD2-CD2 4.22Å; F503-L734 HydrophobicContact CE1-CD2 4.33Å; F503-L734 HydrophobicContact CG-CD2 3.85Å; A730-L734 WeakPolarHBondContact O-CG 3.25Å; A730-L734 PolarHBondContact O-N 3.34Å; A730-L734 VanDerWaalsContact O-N 3.13Å; N731-L734 PolarHBondContact O-N 3.08Å; L734-S738 WeakPolarHBondContact O-CB 3.33Å; L734-S738 PolarHBondContact O-N 3.42Å; L734-S738 PolarHBondContact O-OG 3.05Å
735	V	77	Confident	73.5	Confident	36 Å²	36	53.2 Å²	53.2	22%	0.218	24%	0.242	C	C	.	.	H	α-helix	trans	-62	-43.8	173.7	168.1	0	0	0	0	110.7	Q499 N731 E732 S738 R739	Q499-V735 HydrophobicContact CB-CG2 4.49Å; Q499-V735 HydrophobicContact CG-CG2 3.92Å; Q499-V735 VanDerWaalsContact OE1-CG2 3.29Å; N731-V735 WeakPolarHBondContact O-CB 3.25Å; N731-V735 VanDerWaalsContact O-CG2 3.28Å; N731-V735 WeakPolarHBondContact O-CG2 3.23Å; N731-V735 PolarHBondContact O-N 3.05Å; E732-V735 PolarHBondContact O-N 2.77Å; V735-S738 PolarHBondContact O-OG 3.24Å; V735-R739 WeakPolarHBondContact O-CB 3.41Å; V735-R739 PolarHBondContact O-N 3.32Å
736	R	74.7	Confident	74	Confident	78 Å²	78	56.3 Å²	56.3	29%	0.294	25%	0.254	S	S	.	.	H	α-helix	trans	-64.2	-51.6	178.6	-168.8	-176.8	-173.1	111.7	-11.4	111.1	E732 I733 R739 D740 G892 F893	E732-R736 WeakPolarHBondContact O-CB 3.4Å; E732-R736 PolarHBondContact O-N 2.78Å; I733-R736 PolarHBondContact O-N 3.44Å; R736-R739 PolarHBondContact O-N 3.36Å; R736-D740 WeakPolarHBondContact CG-OD2 3.29Å; R736-D740 VanDerWaalsContact O-CB 3.3Å; R736-D740 WeakPolarHBondContact O-CB 3.33Å; R736-D740 PolarHBondContact O-N 3.33Å; R736-G892 PolarHBondContact NH2-O 3.47Å; R736-F893 HydrophobicContact CB-CE2 4.49Å; R736-F893 HydrophobicContact CG-CE2 3.9Å; R736-F893 HydrophobicContact CG-CZ 4.46Å
737	A	73.2	Confident	74.4	Confident	7 Å²	7	55.4 Å²	55.4	6%	0.058	25%	0.245	C	C	.	.	H	α-helix	trans	-63.1	-45.1	-178.2	0	0	0	0	0	112.9	L438 F503 I733 D740 L741 F893	L438-A737 HydrophobicContact CD2-CB 3.31Å; F503-A737 HydrophobicContact CD2-CB 4.14Å; F503-A737 HydrophobicContact CE2-CB 3.8Å; I733-A737 WeakPolarHBondContact O-CB 3.47Å; I733-A737 PolarHBondContact O-N 3.05Å; A737-D740 PolarHBondContact O-N 2.9Å; A737-L741 WeakPolarHBondContact O-CB 3.32Å; A737-L741 WeakPolarHBondContact O-CG 3.35Å; A737-L741 PolarHBondContact O-N 2.85Å; A737-F893 HydrophobicContact CB-CE2 4.48Å; A737-F893 HydrophobicContact CB-CZ 4.06Å
738	S	77.3	Confident	74.6	Confident	0 Å²	0	54.5 Å²	54.5	0%	0	24%	0.241	C	C	.	.	H	α-helix	trans	-63.7	-41.7	177	57.3	0	0	0	0	112.1	L734 V735 E742	L734-S738 WeakPolarHBondContact O-CB 3.33Å; L734-S738 PolarHBondContact O-N 3.42Å; L734-S738 PolarHBondContact O-OG 3.05Å; V735-S738 PolarHBondContact O-OG 3.24Å; S738-E742 WeakPolarHBondContact O-CB 3.42Å; S738-E742 PolarHBondContact O-N 3.01Å
739	R	76.8	Confident	74.8	Confident	121 Å²	121	49.3 Å²	49.3	46%	0.457	23%	0.225	S	C	.	.	H	α-helix	trans	-65.1	-42	174.7	-173.5	-158.4	68.8	177.8	-1.6	112.5	V735 R736 E742 W743	V735-R739 WeakPolarHBondContact O-CB 3.41Å; V735-R739 PolarHBondContact O-N 3.32Å; R736-R739 PolarHBondContact O-N 3.36Å; R739-E742 PolarHBondContact O-N 3.24Å; R739-W743 VanDerWaalsContact O-CB 3.29Å; R739-W743 WeakPolarHBondContact O-CB 3.14Å; R739-W743 PolarHBondContact O-N 3.43Å
740	D	73	Confident	74.9	Confident	36 Å²	36	46.7 Å²	46.7	19%	0.193	23%	0.225	C	C	.	.	H	α-helix	trans	-73.6	-34	-175.9	-65.1	-3.6	0	0	0	110.8	R736 A737 S744	R736-D740 WeakPolarHBondContact CG-OD2 3.29Å; R736-D740 VanDerWaalsContact O-CB 3.3Å; R736-D740 WeakPolarHBondContact O-CB 3.33Å; R736-D740 PolarHBondContact O-N 3.33Å; A737-D740 PolarHBondContact O-N 2.9Å; D740-S744 WeakPolarHBondContact O-CB 3.08Å; D740-S744 PolarHBondContact O-N 3.31Å; D740-S744 PolarHBondContact O-OG 3.02Å
741	L	74.1	Confident	74.6	Confident	4 Å²	4	47.4 Å²	47.4	2%	0.021	23%	0.225	C	C	.	.	H	α-helix	trans	-59.5	-56	164	-77.5	175.9	0	0	0	111.3	K431 I507 V510 A737 W743 S744 V745	K431-L741 HydrophobicContact CB-CD2 4.11Å; I507-L741 HydrophobicContact CG1-CD1 3.69Å; V510-L741 HydrophobicContact CG2-CD2 4.47Å; A737-L741 WeakPolarHBondContact O-CB 3.32Å; A737-L741 WeakPolarHBondContact O-CG 3.35Å; A737-L741 PolarHBondContact O-N 2.85Å; L741-W743 PolarHBondContact O-N 3Å; L741-S744 PolarHBondContact O-N 2.04Å; L741-S744 VanDerWaalsContact O-N 3.09Å; L741-S744 PolarHBondContact O-OG 3.03Å; L741-V745 WeakPolarHBondContact O-CG2 3.3Å; L741-V745 PolarHBondContact O-N 3.08Å
742	E	79.9	Confident	74.2	Confident	56 Å²	56	46.5 Å²	46.5	26%	0.262	22%	0.221	S	C	.	.	H	α-helix	trans	-56.2	-37.4	-178.9	-172	-170.1	147.9	0	0	112.1	R502 T506 S738 R739 K746	R502-E742 IonicContact CZ-OE2 3.92Å; R502-E742 IonicContact NE-OE2 2.9Å; R502-E742 IonicContact NH2-OE2 2.7Å; R502-E742 PolarHBondContact NH2-OE2 3.49Å; T506-E742 HydrophobicContact CG2-CB 4.31Å; S738-E742 WeakPolarHBondContact O-CB 3.42Å; S738-E742 PolarHBondContact O-N 3.01Å; R739-E742 PolarHBondContact O-N 3.24Å; E742-K746 HydrophobicContact CG-CD 4.33Å; E742-K746 WeakPolarHBondContact O-CB 3.27Å; E742-K746 WeakPolarHBondContact O-CD 3.25Å; E742-K746 VanDerWaalsContact O-CG 3.25Å; E742-K746 WeakPolarHBondContact O-CG 3.06Å; E742-K746 PolarHBondContact O-N 3.37Å; E742-K746 VanDerWaalsContact O-N 3.1Å; E742-K746 IonicContact OE1-NZ 2.69Å; E742-K746 PolarHBondContact OE1-NZ 2.94Å
743	W	75.1	Confident	74.2	Confident	144 Å²	144	45 Å²	45	55%	0.545	22%	0.216	S	C	.	.	H	α-helix	trans	-71.2	-44.8	175.4	-174.1	81.3	0	0	0	112.2	R739 L741 V745 K746 S747 I817	R739-W743 VanDerWaalsContact O-CB 3.29Å; R739-W743 WeakPolarHBondContact O-CB 3.14Å; R739-W743 PolarHBondContact O-N 3.43Å; L741-W743 PolarHBondContact O-N 3Å; W743-V745 VanDerWaalsContact C-N 3.3Å; W743-V745 PolarHBondContact O-N 3.11Å; W743-K746 PolarHBondContact O-N 3.12Å; W743-K746 VanDerWaalsContact O-N 3.12Å; W743-S747 PolarHBondContact O-N 3.03Å; W743-I817 HydrophobicContact CH2-CD1 4.25Å
744	S	71.9	Confident	74	Confident	15 Å²	15	47.9 Å²	47.9	11%	0.105	22%	0.223	C	C	.	.	H	α-helix	trans	-61.2	-37.6	176.9	71	0	0	0	0	112.8	L428 D740 L741 L748	L428-S744 WeakPolarHBondContact CD1-OG 3.07Å; D740-S744 WeakPolarHBondContact O-CB 3.08Å; D740-S744 PolarHBondContact O-N 3.31Å; D740-S744 PolarHBondContact O-OG 3.02Å; L741-S744 PolarHBondContact O-N 2.04Å; L741-S744 VanDerWaalsContact O-N 3.09Å; L741-S744 PolarHBondContact O-OG 3.03Å; S744-L748 WeakPolarHBondContact O-CB 3.43Å; S744-L748 PolarHBondContact O-N 3.45Å
745	V	75.8	Confident	73.4	Confident	13 Å²	13	49.2 Å²	49.2	8%	0.079	23%	0.229	C	C	.	.	H	α-helix	trans	-62.6	-46.8	171.7	164	0	0	0	0	111.4	L428 V510 I513 L741 W743 L749	L428-V745 HydrophobicContact CD1-CG2 3.88Å; L428-V745 HydrophobicContact CD2-CG2 4.45Å; V510-V745 HydrophobicContact CG2-CG2 3.52Å; I513-V745 HydrophobicContact CD1-CG1 3.39Å; I513-V745 HydrophobicContact CD1-CG2 4.42Å; L741-V745 WeakPolarHBondContact O-CG2 3.3Å; L741-V745 PolarHBondContact O-N 3.08Å; W743-V745 VanDerWaalsContact C-N 3.3Å; W743-V745 PolarHBondContact O-N 3.11Å; V745-L749 HydrophobicContact CG1-CD1 3.83Å; V745-L749 WeakPolarHBondContact O-CB 3.37Å; V745-L749 WeakPolarHBondContact O-CG 3.39Å; V745-L749 PolarHBondContact O-N 3.37Å
746	K	79.2	Confident	73	Confident	115 Å²	115	50.8 Å²	50.8	50%	0.5	24%	0.236	S	C	.	.	H	α-helix	trans	-66.1	-39.6	179.6	-75.7	169.5	179.5	178.7	0	112.1	E742 W743 L749 S750	E742-K746 HydrophobicContact CG-CD 4.33Å; E742-K746 WeakPolarHBondContact O-CB 3.27Å; E742-K746 WeakPolarHBondContact O-CD 3.25Å; E742-K746 VanDerWaalsContact O-CG 3.25Å; E742-K746 WeakPolarHBondContact O-CG 3.06Å; E742-K746 PolarHBondContact O-N 3.37Å; E742-K746 VanDerWaalsContact O-N 3.1Å; E742-K746 IonicContact OE1-NZ 2.69Å; E742-K746 PolarHBondContact OE1-NZ 2.94Å; W743-K746 PolarHBondContact O-N 3.12Å; W743-K746 VanDerWaalsContact O-N 3.12Å; K746-L749 PolarHBondContact O-N 3Å; K746-S750 VanDerWaalsContact O-CB 3.27Å; K746-S750 WeakPolarHBondContact O-CB 3.48Å; K746-S750 PolarHBondContact O-N 3.01Å; K746-S750 PolarHBondContact O-OG 2.73Å; K746-S750 VanDerWaalsContact O-OG 3.11Å
747	S	72.5	Confident	72.7	Confident	16 Å²	16	49.3 Å²	49.3	11%	0.112	24%	0.237	C	C	.	.	H	α-helix	trans	-59	-58.3	173.6	-140.8	0	0	0	0	110.1	W743 L749 S750 E751	W743-S747 PolarHBondContact O-N 3.03Å; S747-L749 VanDerWaalsContact C-N 3.31Å; S747-L749 PolarHBondContact O-N 3.32Å; S747-S750 PolarHBondContact O-N 3.46Å; S747-S750 PolarHBondContact O-OG 3.22Å; S747-E751 WeakPolarHBondContact CB-OE1 3.24Å; S747-E751 WeakPolarHBondContact O-CB 3.41Å; S747-E751 WeakPolarHBondContact O-CG 3.47Å; S747-E751 PolarHBondContact O-N 3.33Å; S747-E751 PolarHBondContact OG-OE1 3.32Å
748	L	71.9	Confident	72	Confident	1 Å²	1	51.5 Å²	51.5	1%	0.005	25%	0.248	C	C	.	.	H	α-helix	trans	-49	-49.6	177.1	170.2	62	0	0	0	112.2	F424 L428 L520 S744 T752	F424-L748 HydrophobicContact CB-CB 4.03Å; F424-L748 HydrophobicContact CB-CD1 3.47Å; F424-L748 VanDerWaalsContact CB-CD1 3.47Å; F424-L748 HydrophobicContact CB-CG 4.27Å; F424-L748 HydrophobicContact CG-CD1 4.49Å; L428-L748 HydrophobicContact CD2-CD2 3.49Å; L428-L748 VanDerWaalsContact CD2-CD2 3.49Å; L520-L748 HydrophobicContact CD1-CD2 4.3Å; L520-L748 HydrophobicContact CD1-CG 4.42Å; L520-L748 HydrophobicContact CD2-CD1 4.32Å; S744-L748 WeakPolarHBondContact O-CB 3.43Å; S744-L748 PolarHBondContact O-N 3.45Å; L748-T752 VanDerWaalsContact O-CB 3.23Å; L748-T752 WeakPolarHBondContact O-CB 3.37Å; L748-T752 PolarHBondContact O-N 2.7Å; L748-T752 PolarHBondContact O-OG1 3.43Å
749	L	76.7	Confident	71.1	Confident	44 Å²	44	54.8 Å²	54.8	23%	0.23	27%	0.265	C	S	.	.	H	α-helix	trans	-66	-43.4	-179.9	-73.1	171	0	0	0	112.4	I513 K517 V745 K746 S747 N753	I513-L749 HydrophobicContact CD1-CD1 4.04Å; K517-L749 VanDerWaalsContact NZ-CD2 3.28Å; V745-L749 HydrophobicContact CG1-CD1 3.83Å; V745-L749 WeakPolarHBondContact O-CB 3.37Å; V745-L749 WeakPolarHBondContact O-CG 3.39Å; V745-L749 PolarHBondContact O-N 3.37Å; K746-L749 PolarHBondContact O-N 3Å; S747-L749 VanDerWaalsContact C-N 3.31Å; S747-L749 PolarHBondContact O-N 3.32Å; L749-N753 WeakPolarHBondContact O-CB 3.47Å; L749-N753 PolarHBondContact O-N 3.32Å; L749-N753 PolarHBondContact O-ND2 3.5Å; L749-N753 PolarHBondContact O-OD1 3.05Å
750	S	72.3	Confident	70.2	Confident	64 Å²	64	51.9 Å²	51.9	45%	0.448	27%	0.267	S	S	.	.	H	α-helix	trans	-65.9	-40.3	179.4	69.9	0	0	0	0	112.3	K746 S747 N753 Y754	K746-S750 VanDerWaalsContact O-CB 3.27Å; K746-S750 WeakPolarHBondContact O-CB 3.48Å; K746-S750 PolarHBondContact O-N 3.01Å; K746-S750 PolarHBondContact O-OG 2.73Å; K746-S750 VanDerWaalsContact O-OG 3.11Å; S747-S750 PolarHBondContact O-N 3.46Å; S747-S750 PolarHBondContact O-OG 3.22Å; S750-N753 PolarHBondContact O-N 3.29Å; S750-Y754 WeakPolarHBondContact O-CB 3.27Å; S750-Y754 PolarHBondContact O-N 3.48Å
751	E	66.5	Low	68.9	Low	33 Å²	33	56.8 Å²	56.8	15%	0.154	29%	0.287	C	S	.	.	H	α-helix	trans	-78.9	-35.9	-177.1	-67.2	177.1	-98.3	0	0	111.5	F424 S747 N753 Y754 Y755	F424-E751 HydrophobicContact CD2-CB 4.44Å; F424-E751 WeakPolarHBondContact CE1-OE1 3.37Å; F424-E751 HydrophobicContact CE2-CB 4.14Å; F424-E751 VanDerWaalsContact CE2-CD 3.42Å; F424-E751 HydrophobicContact CE2-CG 4.39Å; F424-E751 WeakPolarHBondContact CE2-OE2 3.5Å; F424-E751 WeakPolarHBondContact CZ-OE1 3.43Å; F424-E751 WeakPolarHBondContact CZ-OE2 3.49Å; S747-E751 WeakPolarHBondContact CB-OE1 3.24Å; S747-E751 WeakPolarHBondContact O-CB 3.41Å; S747-E751 WeakPolarHBondContact O-CG 3.47Å; S747-E751 PolarHBondContact O-N 3.33Å; S747-E751 PolarHBondContact OG-OE1 3.32Å; E751-N753 VanDerWaalsContact C-N 3.31Å; E751-N753 PolarHBondContact O-N 3.37Å; E751-Y754 PolarHBondContact O-N 3.21Å; E751-Y755 VanDerWaalsContact O-CB 3.28Å; E751-Y755 WeakPolarHBondContact O-CB 3.35Å; E751-Y755 PolarHBondContact O-N 3.11Å
752	T	68.7	Low	67.1	Low	12 Å²	12	60.6 Å²	60.6	7%	0.074	31%	0.314	C	S	.	.	H	α-helix	trans	-59.1	-43.7	167.3	-56.1	0	0	0	0	110.8	E421 L520 L748 N756	E421-T752 HydrophobicContact CG-CG2 4.24Å; L520-T752 HydrophobicContact CD2-CG2 4.3Å; L748-T752 VanDerWaalsContact O-CB 3.23Å; L748-T752 WeakPolarHBondContact O-CB 3.37Å; L748-T752 PolarHBondContact O-N 2.7Å; L748-T752 PolarHBondContact O-OG1 3.43Å; T752-N756 WeakPolarHBondContact O-CB 3.3Å; T752-N756 VanDerWaalsContact O-CG 3.25Å; T752-N756 PolarHBondContact O-N 2.72Å; T752-N756 PolarHBondContact O-ND2 2.91Å
753	N	73.7	Confident	65.2	Low	80 Å²	80	63.2 Å²	63.2	43%	0.428	33%	0.334	S	S	.	.	H	α-helix	trans	-67.3	-39.8	177.7	-70.1	-12.8	0	0	0	111.9	L749 S750 E751 S757	L749-N753 WeakPolarHBondContact O-CB 3.47Å; L749-N753 PolarHBondContact O-N 3.32Å; L749-N753 PolarHBondContact O-ND2 3.5Å; L749-N753 PolarHBondContact O-OD1 3.05Å; S750-N753 PolarHBondContact O-N 3.29Å; E751-N753 VanDerWaalsContact C-N 3.31Å; E751-N753 PolarHBondContact O-N 3.37Å; N753-S757 PolarHBondContact O-N 2.92Å
754	Y	69.1	Low	63.6	Low	130 Å²	130	60 Å²	60	51%	0.51	33%	0.333	S	S	.	.	H	α-helix	trans	-65.3	-47.8	177.4	178.6	-117.3	0	0	0	112.1	M416 S750 E751 N756 S757 L758	M416-Y754 HydrophobicContact CE-CE1 4.03Å; S750-Y754 WeakPolarHBondContact O-CB 3.27Å; S750-Y754 PolarHBondContact O-N 3.48Å; E751-Y754 PolarHBondContact O-N 3.21Å; Y754-N756 VanDerWaalsContact C-N 3.35Å; Y754-N756 PolarHBondContact O-N 3.2Å; Y754-S757 WeakPolarHBondContact O-CA 3.46Å; Y754-S757 WeakPolarHBondContact O-CB 3.44Å; Y754-S757 PolarHBondContact O-N 3.03Å; Y754-S757 PolarHBondContact O-OG 2.94Å; Y754-L758 HydrophobicContact CD1-CD1 4.16Å; Y754-L758 HydrophobicContact CE1-CD1 3.71Å; Y754-L758 HydrophobicContact CE2-CD1 4.41Å; Y754-L758 HydrophobicContact CE2-CG 4.41Å; Y754-L758 PolarHBondContact O-N 3.32Å
755	Y	62.1	Low	62	Low	28 Å²	28	66.4 Å²	66.4	11%	0.11	37%	0.367	C	S	.	.	H	α-helix	trans	-57.8	-44.7	174.8	179.6	-108.3	0	0	0	112.1	R419 P420 E751 S757 L758 N759	R419-Y755 HydrophobicContact CG-CE1 3.83Å; P420-Y755 HydrophobicContact CG-CD2 4.13Å; P420-Y755 HydrophobicContact CG-CG 3.93Å; E751-Y755 VanDerWaalsContact O-CB 3.28Å; E751-Y755 WeakPolarHBondContact O-CB 3.35Å; E751-Y755 PolarHBondContact O-N 3.11Å; Y755-S757 VanDerWaalsContact C-N 3.29Å; Y755-S757 PolarHBondContact O-N 3.41Å; Y755-L758 PolarHBondContact O-N 3.4Å; Y755-N759 VanDerWaalsContact CE1-ND2 3.29Å; Y755-N759 WeakPolarHBondContact CE1-ND2 3.39Å; Y755-N759 VanDerWaalsContact CZ-ND2 3.3Å; Y755-N759 PolarHBondContact O-N 3.45Å; Y755-N759 VanDerWaalsContact O-N 3.1Å; Y755-N759 PolarHBondContact O-ND2 2.82Å
756	N	68.7	Low	59.9	Low	69 Å²	69	69 Å²	69	37%	0.369	40%	0.396	S	S	.	.	H	α-helix	trans	-61.4	-35.4	172.4	-74.5	-36.6	0	0	0	112.6	T752 Y754 N759 A760	T752-N756 WeakPolarHBondContact O-CB 3.3Å; T752-N756 VanDerWaalsContact O-CG 3.25Å; T752-N756 PolarHBondContact O-N 2.72Å; T752-N756 PolarHBondContact O-ND2 2.91Å; Y754-N756 VanDerWaalsContact C-N 3.35Å; Y754-N756 PolarHBondContact O-N 3.2Å; N756-N759 PolarHBondContact O-N 3.08Å; N756-A760 WeakPolarHBondContact O-CB 3.37Å; N756-A760 PolarHBondContact O-N 3.45Å
757	S	69	Low	57.5	Low	47 Å²	47	67.2 Å²	67.2	33%	0.329	41%	0.41	S	S	.	.	H	α-helix	trans	-68.9	-31.5	176.6	84.9	0	0	0	0	113.5	N753 Y754 Y755 K761	N753-S757 PolarHBondContact O-N 2.92Å; Y754-S757 WeakPolarHBondContact O-CA 3.46Å; Y754-S757 WeakPolarHBondContact O-CB 3.44Å; Y754-S757 PolarHBondContact O-N 3.03Å; Y754-S757 PolarHBondContact O-OG 2.94Å; Y755-S757 VanDerWaalsContact C-N 3.29Å; Y755-S757 PolarHBondContact O-N 3.41Å; S757-K761 WeakPolarHBondContact O-CG 3.22Å; S757-K761 PolarHBondContact O-N 3.44Å
758	L	57.1	Low	55.6	Low	53 Å²	53	72.9 Å²	72.9	28%	0.277	44%	0.439	S	S	.	.	H	α-helix	trans	-71.1	-45.2	174.7	-69.1	169.5	0	0	0	110.9	M416 Y754 Y755 A760 K761 S762	M416-L758 HydrophobicContact CE-CD1 3.7Å; M416-L758 HydrophobicContact SD-CD1 3.53Å; M416-L758 VanDerWaalsContact SD-CD1 3.53Å; Y754-L758 HydrophobicContact CD1-CD1 4.16Å; Y754-L758 HydrophobicContact CE1-CD1 3.71Å; Y754-L758 HydrophobicContact CE2-CD1 4.41Å; Y754-L758 HydrophobicContact CE2-CG 4.41Å; Y754-L758 PolarHBondContact O-N 3.32Å; Y755-L758 PolarHBondContact O-N 3.4Å; L758-A760 VanDerWaalsContact C-N 3.3Å; L758-A760 PolarHBondContact O-N 2.93Å; L758-K761 PolarHBondContact O-N 3.27Å; L758-K761 VanDerWaalsContact O-N 3.1Å; L758-S762 PolarHBondContact O-N 3.31Å; L758-S762 PolarHBondContact O-OG 3.42Å
759	N	59.3	Low	53.6	Low	69 Å²	69	82 Å²	82	37%	0.369	48%	0.479	S	S	.	.	H	α-helix	trans	-65.5	-30.1	174.9	-71.5	-41.5	0	0	0	113.1	Y755 N756 S762 T763	Y755-N759 VanDerWaalsContact CE1-ND2 3.29Å; Y755-N759 WeakPolarHBondContact CE1-ND2 3.39Å; Y755-N759 VanDerWaalsContact CZ-ND2 3.3Å; Y755-N759 PolarHBondContact O-N 3.45Å; Y755-N759 VanDerWaalsContact O-N 3.1Å; Y755-N759 PolarHBondContact O-ND2 2.82Å; N756-N759 PolarHBondContact O-N 3.08Å; N759-S762 PolarHBondContact O-OG 3Å; N759-S762 VanDerWaalsContact O-OG 3.13Å; N759-T763 PolarHBondContact O-N 2.93Å; N759-T763 PolarHBondContact O-OG1 3.38Å
760	A	57.4	Low	51.6	Low	60 Å²	60	85.6 Å²	85.6	50%	0.496	51%	0.507	S	S	.	.	H	α-helix	trans	-71.9	-33.3	170.5	0	0	0	0	0	112.8	N756 L758 T763 S764	N756-A760 WeakPolarHBondContact O-CB 3.37Å; N756-A760 PolarHBondContact O-N 3.45Å; L758-A760 VanDerWaalsContact C-N 3.3Å; L758-A760 PolarHBondContact O-N 2.93Å; A760-T763 PolarHBondContact O-OG1 2.04Å; A760-S764 WeakPolarHBondContact O-CB 3.4Å; A760-S764 PolarHBondContact O-N 3.09Å
761	K	45.3	Very low	49.6	Very low	140 Å²	140	92.7 Å²	92.7	61%	0.609	53%	0.53	S	S	*	.	H	α-helix	trans	-72.3	-45.7	175.7	-80.2	176.2	176.9	178.8	0	112.2	S757 L758 T763 S764	S757-K761 WeakPolarHBondContact O-CG 3.22Å; S757-K761 PolarHBondContact O-N 3.44Å; L758-K761 PolarHBondContact O-N 3.27Å; L758-K761 VanDerWaalsContact O-N 3.1Å; K761-T763 VanDerWaalsContact C-N 3.25Å; K761-T763 PolarHBondContact O-N 3.32Å; K761-S764 PolarHBondContact O-N 3.27Å; K761-S764 PolarHBondContact O-OG 3.44Å
762	S	38	Very low	47.8	Very low	84 Å²	84	94.8 Å²	94.8	59%	0.587	56%	0.561	S	S	*	*	H	α-helix	trans	-60.7	-34.5	179.4	60.4	0	0	0	0	112.6	L758 N759	L758-S762 PolarHBondContact O-N 3.31Å; L758-S762 PolarHBondContact O-OG 3.42Å; N759-S762 PolarHBondContact O-OG 3Å; N759-S762 VanDerWaalsContact O-OG 3.13Å
763	T	39.7	Very low	45.9	Very low	110 Å²	110	101.7 Å²	101.7	68%	0.675	60%	0.597	S	S	*	*	H	α-helix	trans	-77.8	-14.9	174.9	47.6	0	0	0	0	114.4	N759 A760 K761	N759-T763 PolarHBondContact O-N 2.93Å; N759-T763 PolarHBondContact O-OG1 3.38Å; A760-T763 PolarHBondContact O-OG1 2.04Å; K761-T763 VanDerWaalsContact C-N 3.25Å; K761-T763 PolarHBondContact O-N 3.32Å
764	S	41.5	Very low	43.7	Very low	76 Å²	76	104.1 Å²	104.1	53%	0.531	62%	0.615	S	S	.	*	H	α-helix	trans	-84.4	-20.1	-176.9	71.2	0	0	0	0	115.4	A760 K761 G766	A760-S764 WeakPolarHBondContact O-CB 3.4Å; A760-S764 PolarHBondContact O-N 3.09Å; K761-S764 PolarHBondContact O-N 3.27Å; K761-S764 PolarHBondContact O-OG 3.44Å; S764-G766 VanDerWaalsContact C-N 3.29Å; S764-G766 PolarHBondContact O-N 2.85Å
765	N	37.5	Very low	41.5	Very low	151 Å²	151	103.7 Å²	103.7	81%	0.807	63%	0.628	S	S	*	*	T	Hydrogen-bonded Turn	trans	-82.7	3.1	-177.2	-78.5	-7.2	0	0	0	114.5
766	G	32.7	Very low	40	Very low	67 Å²	67	108.5 Å²	108.5	69%	0.691	66%	0.663	S	S	*	*			trans	-97.4	37.7	178.8	0	0	0	0	0	114.5	S764 D768	S764-G766 VanDerWaalsContact C-N 3.29Å; S764-G766 PolarHBondContact O-N 2.85Å; G766-D768 PolarHBondContact O-N 3.23Å
767	G	27.4	Very low	38.1	Very low	78 Å²	78	113.3 Å²	113.3	80%	0.804	68%	0.683	S	S	*	*			trans	-81.9	63.1	-165.3	0	0	0	0	0	117
768	D	33.2	Very low	36	Very low	134 Å²	134	116.5 Å²	116.5	72%	0.717	71%	0.706	S	S	*	*			trans	-128.7	159.3	163.1	-146.4	-8.3	0	0	0	113.8	G766	G766-D768 PolarHBondContact O-N 3.23Å
769	K	29.8	Very low	34.4	Very low	193 Å²	193	123.7 Å²	123.7	84%	0.839	73%	0.729	S	S	*	*			trans	-91.4	121.7	-146.8	-59	141.3	-170.3	142	0	114.1
770	S	35.1	Very low	32.8	Very low	119 Å²	119	124.6 Å²	124.6	83%	0.832	75%	0.746	S	S	*	*			trans	-143	154.6	147.7	71.8	0	0	0	0	111.5
771	K	29.4	Very low	31.4	Very low	214 Å²	214	133 Å²	133	93%	0.93	77%	0.765	S	S	*	*			trans	-106.8	127.5	-179.2	-65.4	175.1	178.1	176.1	0	109.3
772	G	29.6	Very low	30.5	Very low	77 Å²	77	132.3 Å²	132.3	79%	0.794	77%	0.767	S	S	*	*			trans	-166.2	90	-179.5	0	0	0	0	0	113.9	T774	G772-T774 PolarHBondContact O-N 2.95Å
773	N	27.5	Very low	29.9	Very low	157 Å²	157	133.5 Å²	133.5	84%	0.84	78%	0.775	S	S	*	*			trans	-41.9	118.6	-178.3	-54.5	-22.1	0	0	0	116
774	T	27.4	Very low	29.5	Very low	131 Å²	131	133.5 Å²	133.5	80%	0.804	78%	0.775	S	S	*	*				171.1	123.9	116.1	30.4	0	0	0	0	111.7	G772	G772-T774 PolarHBondContact O-N 2.95Å
775	P	24.5	Very low	28.9	Very low	121 Å²	121	136 Å²	136	79%	0.786	79%	0.793	S	S	*	*			trans	-92.5	129.7	175.9	33.5	-30.6	0	0	0	112.5	E777	P775-E777 PolarHBondContact O-N 3.42Å
776	P	29.7	Very low	28.7	Very low	129 Å²	129	136.9 Å²	136.9	84%	0.838	79%	0.792	S	S	*	*			trans	-74	107.7	168.6	29	-31.8	0	0	0	111.1
777	E	28.9	Very low	28.5	Very low	169 Å²	169	143.3 Å²	143.3	79%	0.79	80%	0.801	S	S	*	*			trans	-11.8	127.4	176.1	-60.1	178.1	119	0	0	120.9	P775	P775-E777 PolarHBondContact O-N 3.42Å
778	S	24.9	Very low	28.5	Very low	115 Å²	115	146 Å²	146	80%	0.804	80%	0.804	S	S	*	*			trans	62	62.6	139.5	63.9	0	0	0	0	120.7
779	W	24.4	Very low	28.2	Very low	204 Å²	204	143 Å²	143	77%	0.773	80%	0.804	S	S	*	*			trans	-107.8	88.6	154	-72	82.3	0	0	0	110.8	Q519	Q519-W779 VanDerWaalsContact OE1-CH2 3.25Å; Q519-W779 VanDerWaalsContact OE1-CZ2 3.27Å
780	A	25.8	Very low	28.2	Very low	88 Å²	88	143.3 Å²	143.3	73%	0.727	81%	0.809	S	S	*	*			trans	-150.5	139.4	178.4	0	0	0	0	0	113.1
781	R	26.4	Very low	27.7	Very low	236 Å²	236	146.2 Å²	146.2	89%	0.891	81%	0.809	S	S	*	*			trans	65.9	89.4	178.1	-67.2	-178.6	-80.1	-169.4	-6.5	116.2	S783	R781-S783 PolarHBondContact O-N 3.49Å
782	I	27.7	Very low	27.8	Very low	126 Å²	126	146.6 Å²	146.6	65%	0.646	81%	0.807	S	S	*	*			trans	-73.2	109.2	145.5	-61.4	173.8	0	0	0	106.7
783	S	25.6	Very low	27.8	Very low	109 Å²	109	150.6 Å²	150.6	76%	0.762	81%	0.805	S	S	*	*			trans	-88.3	107.4	170.2	50.5	0	0	0	0	109.9	R781 S785	R781-S783 PolarHBondContact O-N 3.49Å; S783-S785 PolarHBondContact O-N 2.88Å
784	T	31	Very low	27.8	Very low	110 Å²	110	150 Å²	150	68%	0.675	81%	0.807	S	S	*	*			trans	-60.7	124.4	168.2	43.6	0	0	0	0	110.1	Q786	T784-Q786 PolarHBondContact O-N 2.8Å
785	S	29.1	Very low	27.9	Very low	128 Å²	128	147.5 Å²	147.5	90%	0.895	81%	0.808	S	S	*	*			trans	-70.3	90.1	177.4	-171.7	0	0	0	0	111.1	S783	S783-S785 PolarHBondContact O-N 2.88Å
786	Q	31.8	Very low	28	Very low	170 Å²	170	151.9 Å²	151.9	79%	0.794	81%	0.814	S	S	*	*	P	Polyproline II helix	trans	-91.8	137.5	164.5	-78.6	-179.1	-57	0	0	109.7	T784	T784-Q786 PolarHBondContact O-N 2.8Å
787	K	29.4	Very low	28.1	Very low	202 Å²	202	152.8 Å²	152.8	88%	0.878	82%	0.818	S	S	*	*	P	Polyproline II helix	trans	-68.9	140	168.3	-66.5	-176.6	-176.9	-177.3	0	108.7
788	P	27.4	Very low	27.9	Very low	133 Å²	133	150.5 Å²	150.5	86%	0.864	82%	0.82	S	S	*	*	P	Polyproline II helix	trans	-83.6	152.1	-177.5	35.3	-37.2	0	0	0	112.7
789	G	26.6	Very low	28.3	Very low	71 Å²	71	150.6 Å²	150.6	73%	0.732	82%	0.821	S	S	*	*			trans	124.9	79.1	162.6	0	0	0	0	0	115.7
790	E	30.1	Very low	28.5	Very low	200 Å²	200	147.8 Å²	147.8	94%	0.935	82%	0.821	S	S	*	*				-179.4	156	117.1	-96.7	171.4	-178	0	0	110.4
791	Q	25.7	Very low	28.5	Very low	180 Å²	180	149.7 Å²	149.7	84%	0.841	83%	0.826	S	S	*	*			trans	-108	149.8	-177.3	-60.3	169	-91	0	0	109.5
792	Y	29.9	Very low	28.7	Very low	222 Å²	222	147.2 Å²	147.2	87%	0.871	82%	0.824	S	S	*	*				-168.4	117.1	129.7	-96.4	-62.3	0	0	0	112.8
793	E	30.7	Very low	28.8	Very low	162 Å²	162	146.3 Å²	146.3	76%	0.757	83%	0.829	S	S	*	*			trans	18.3	112.6	151.1	-60.9	-172.8	134.3	0	0	123.5
794	T	26.8	Very low	29	Very low	143 Å²	143	147.2 Å²	147.2	88%	0.877	83%	0.825	S	S	*	*				43.2	119.5	128.5	59.6	0	0	0	0	122.6
795	G	29.6	Very low	28.9	Very low	80 Å²	80	150.3 Å²	150.3	83%	0.825	83%	0.834	S	S	*	*			trans	-158.7	120	150.7	0	0	0	0	0	111.7
796	K	26.3	Very low	29.1	Very low	212 Å²	212	149.7 Å²	149.7	92%	0.922	83%	0.825	S	S	*	*			trans	-103.9	117.5	179.5	-77.4	-175.8	179.5	177	0	111.9
797	T	31.3	Very low	29.2	Very low	149 Å²	149	148 Å²	148	91%	0.914	82%	0.822	S	S	*	*			trans	-147.7	152.9	155.6	32.1	0	0	0	0	109.9
798	S	26.7	Very low	29.4	Very low	121 Å²	121	142 Å²	142	85%	0.846	81%	0.805	S	S	*	*			trans	-110	127.7	-170.6	54.3	0	0	0	0	113.3
799	S	31.3	Very low	29.6	Very low	117 Å²	117	142.1 Å²	142.1	82%	0.818	80%	0.798	S	S	*	*			trans	-158.2	133.7	165.6	55.7	0	0	0	0	112.9
800	N	29.2	Very low	30	Very low	144 Å²	144	141 Å²	141	77%	0.77	79%	0.786	S	S	*	*			trans	-9.3	135.8	173.8	-60.1	-12.5	0	0	0	120.6	H802	N800-H802 PolarHBondContact O-N 3.14Å
801	P	26.8	Very low	30.2	Very low	129 Å²	129	138.2 Å²	138.2	84%	0.838	78%	0.775	S	S	*	*			trans	-79.4	99	168.8	33	-32.1	0	0	0	111.1
802	H	30.1	Very low	30.6	Very low	184 Å²	184	135.7 Å²	135.7	85%	0.852	77%	0.767	S	S	*	*			trans	-146.8	35.7	178.5	-122.6	-74.5	0	0	0	114.5	N800	N800-H802 PolarHBondContact O-N 3.14Å
803	S	29.5	Very low	31	Very low	106 Å²	106	126.4 Å²	126.4	74%	0.741	74%	0.736	S	S	*	*			trans	-148	37.8	-174.5	65.6	0	0	0	0	116.3
804	D	29	Very low	31.1	Very low	129 Å²	129	124.2 Å²	124.2	69%	0.69	72%	0.721	S	S	*	*			trans	-121.1	43.7	178.5	-85.7	-50	0	0	0	114	T806	D804-T806 PolarHBondContact O-N 3.44Å
805	M	29	Very low	31.3	Very low	174 Å²	174	118.5 Å²	118.5	86%	0.857	69%	0.691	S	S	*	*	G	3₁₀ helix	trans	-76	1.4	172.3	-83.6	-158.4	147.7	0	0	114.7	N807 S808	M805-N807 PolarHBondContact O-N 3.11Å; M805-N807 VanDerWaalsContact O-N 3.16Å; M805-S808 PolarHBondContact O-N 3.25Å
806	T	33.4	Very low	31.6	Very low	115 Å²	115	118.6 Å²	118.6	71%	0.706	68%	0.679	S	S	*	*	G	3₁₀ helix	trans	-63.4	-17.5	177.9	47.9	0	0	0	0	113.9	D804 S808	D804-T806 PolarHBondContact O-N 3.44Å; T806-S808 VanDerWaalsContact C-N 3.3Å; T806-S808 PolarHBondContact O-N 2.91Å
807	N	35.4	Very low	32.1	Very low	136 Å²	136	111.9 Å²	111.9	73%	0.727	65%	0.652	S	S	*	*	G	3₁₀ helix	trans	-79.1	-1.7	175.6	-70.5	-52.5	0	0	0	114.6	M805 L809 G810	M805-N807 PolarHBondContact O-N 3.11Å; M805-N807 VanDerWaalsContact O-N 3.16Å; N807-L809 PolarHBondContact O-N 2.69Å; N807-G810 PolarHBondContact O-N 2.87Å
808	S	32.7	Very low	32.3	Very low	76 Å²	76	106.6 Å²	106.6	53%	0.531	62%	0.618	S	S	.	*	G	3₁₀ helix	trans	-67.1	-8	-176.7	82.8	0	0	0	0	115	M805 T806 G810 M811	M805-S808 PolarHBondContact O-N 3.25Å; T806-S808 VanDerWaalsContact C-N 3.3Å; T806-S808 PolarHBondContact O-N 2.91Å; S808-G810 PolarHBondContact O-N 3.21Å; S808-G810 VanDerWaalsContact O-N 3.09Å; S808-M811 WeakPolarHBondContact O-CB 3.39Å; S808-M811 PolarHBondContact O-N 3.42Å
809	L	31.8	Very low	32.5	Very low	134 Å²	134	107.2 Å²	107.2	70%	0.702	61%	0.612	S	S	*	*	H	α-helix	trans	-56.9	-25.9	176.2	-160.5	71.7	0	0	0	112.9	N807 M811 L812 A813	N807-L809 PolarHBondContact O-N 2.69Å; L809-M811 VanDerWaalsContact C-N 3.35Å; L809-L812 PolarHBondContact O-N 3.11Å; L809-A813 PolarHBondContact O-N 3.4Å
810	G	34.5	Very low	32.5	Very low	48 Å²	48	108.5 Å²	108.5	50%	0.495	60%	0.599	S	S	.	*	H	α-helix	trans	-66.1	-29.8	173.1	0	0	0	0	0	114.4	N807 S808 A813 Y814	N807-G810 PolarHBondContact O-N 2.87Å; S808-G810 PolarHBondContact O-N 3.21Å; S808-G810 VanDerWaalsContact O-N 3.09Å; G810-A813 WeakPolarHBondContact O-CB 3.36Å; G810-A813 PolarHBondContact O-N 2.9Å; G810-Y814 PolarHBondContact O-N 3.18Å
811	M	35.3	Very low	32.6	Very low	141 Å²	141	108.3 Å²	108.3	70%	0.695	60%	0.598	S	S	*	*	H	α-helix	trans	-72.9	-35.4	178.3	-68.6	-97.4	61.4	0	0	111.9	S808 L809 A813 Y814	S808-M811 WeakPolarHBondContact O-CB 3.39Å; S808-M811 PolarHBondContact O-N 3.42Å; L809-M811 VanDerWaalsContact C-N 3.35Å; M811-A813 VanDerWaalsContact C-N 3.27Å; M811-A813 PolarHBondContact O-N 3.48Å; M811-Y814 PolarHBondContact O-N 2.86Å
812	L	33.6	Very low	32.9	Very low	127 Å²	127	107 Å²	107	67%	0.665	60%	0.598	S	S	*	*	H	α-helix	trans	-68.5	-26.2	173.5	-68.3	173.4	0	0	0	112.6	L809	L809-L812 PolarHBondContact O-N 3.11Å
813	A	37.3	Very low	32.9	Very low	27 Å²	27	107 Å²	107	22%	0.223	60%	0.599	C	S	.	*	H	α-helix	trans	-66.5	-40.8	174.1	0	0	0	0	0	111.7	L809 G810 M811 G815 S816 I817	L809-A813 PolarHBondContact O-N 3.4Å; G810-A813 WeakPolarHBondContact O-CB 3.36Å; G810-A813 PolarHBondContact O-N 2.9Å; M811-A813 VanDerWaalsContact C-N 3.27Å; M811-A813 PolarHBondContact O-N 3.48Å; A813-G815 PolarHBondContact O-N 3.35Å; A813-S816 PolarHBondContact O-N 3.15Å; A813-S816 PolarHBondContact O-OG 3.37Å; A813-I817 WeakPolarHBondContact O-CG1 3.31Å; A813-I817 PolarHBondContact O-N 3.48Å
814	Y	33	Very low	32.9	Very low	116 Å²	116	105.9 Å²	105.9	46%	0.455	60%	0.604	S	S	.	*	H	α-helix	trans	-60.3	-48.7	-176.7	-127.9	-98.6	0	0	0	112.7	G810 M811 S816 I817 L818	G810-Y814 PolarHBondContact O-N 3.18Å; M811-Y814 PolarHBondContact O-N 2.86Å; Y814-S816 VanDerWaalsContact C-N 3.27Å; Y814-S816 PolarHBondContact O-N 3.16Å; Y814-I817 PolarHBondContact O-N 2.89Å; Y814-I817 VanDerWaalsContact O-N 3.09Å; Y814-L818 HydrophobicContact CD1-CD1 4.27Å; Y814-L818 HydrophobicContact CE1-CD1 4.36Å; Y814-L818 PolarHBondContact O-N 3.03Å
815	G	31.1	Very low	32.9	Very low	23 Å²	23	109.3 Å²	109.3	24%	0.237	62%	0.615	C	S	.	*	H	α-helix	trans	-61.8	-33	176.5	0	0	0	0	0	113.4	A813 I817 L818 N819 W820	A813-G815 PolarHBondContact O-N 3.35Å; G815-I817 VanDerWaalsContact C-N 3.27Å; G815-I817 PolarHBondContact O-N 3.45Å; G815-L818 PolarHBondContact O-N 2.88Å; G815-N819 PolarHBondContact O-N 3.38Å; G815-W820 PolarHBondContact O-N 3.42Å; G815-W820 VanDerWaalsContact O-N 3.11Å
816	S	35.7	Very low	32.9	Very low	82 Å²	82	104.7 Å²	104.7	57%	0.573	61%	0.612	S	S	*	*	H	α-helix	trans	-76.3	-8.4	177	72.9	0	0	0	0	115	A813 Y814	A813-S816 PolarHBondContact O-N 3.15Å; A813-S816 PolarHBondContact O-OG 3.37Å; Y814-S816 VanDerWaalsContact C-N 3.27Å; Y814-S816 PolarHBondContact O-N 3.16Å
817	I	37.5	Very low	32.8	Very low	71 Å²	71	102.7 Å²	102.7	36%	0.364	62%	0.615	S	S	.	*	H	α-helix	trans	-100.5	-19.1	177.4	-69.1	166.3	0	0	0	111.5	W743 A813 Y814 G815	W743-I817 HydrophobicContact CH2-CD1 4.25Å; A813-I817 WeakPolarHBondContact O-CG1 3.31Å; A813-I817 PolarHBondContact O-N 3.48Å; Y814-I817 PolarHBondContact O-N 2.89Å; Y814-I817 VanDerWaalsContact O-N 3.09Å; G815-I817 VanDerWaalsContact C-N 3.27Å; G815-I817 PolarHBondContact O-N 3.45Å
818	L	35.6	Very low	32.3	Very low	38 Å²	38	105.7 Å²	105.7	20%	0.199	62%	0.624	C	S	.	*	T	Hydrogen-bonded Turn	trans	-113	8.8	179.4	-65.4	174.2	0	0	0	114.1	Y814 G815 W820	Y814-L818 HydrophobicContact CD1-CD1 4.27Å; Y814-L818 HydrophobicContact CE1-CD1 4.36Å; Y814-L818 PolarHBondContact O-N 3.03Å; G815-L818 PolarHBondContact O-N 2.88Å; L818-W820 PolarHBondContact O-N 3.24Å
819	N	31	Very low	32.3	Very low	134 Å²	134	111.2 Å²	111.2	72%	0.717	64%	0.642	S	S	*	*	T	Hydrogen-bonded Turn	trans	58.9	41.3	179.1	-164.7	64.8	0	0	0	114.6	G815 N821	G815-N819 PolarHBondContact O-N 3.38Å; N819-N821 PolarHBondContact O-N 2.88Å
820	W	30.9	Very low	32.1	Very low	144 Å²	144	113.8 Å²	113.8	55%	0.545	65%	0.65	S	S	.	*			trans	-78.8	88.6	-179.8	-75.8	18.8	0	0	0	112	G815 L818 A822	G815-W820 PolarHBondContact O-N 3.42Å; G815-W820 VanDerWaalsContact O-N 3.11Å; L818-W820 PolarHBondContact O-N 3.24Å; W820-A822 PolarHBondContact O-N 3.09Å
821	N	31	Very low	32	Very low	141 Å²	141	118.6 Å²	118.6	75%	0.754	66%	0.66	S	S	*	*			trans	-87.2	84.1	171.2	-88.8	-20.9	0	0	0	111.1	N819 Q823	N819-N821 PolarHBondContact O-N 2.88Å; N821-Q823 PolarHBondContact O-N 2.98Å
822	A	33.1	Very low	31.8	Very low	100 Å²	100	118.7 Å²	118.7	83%	0.826	66%	0.656	S	S	*	*			trans	-69	101.7	171.7	0	0	0	0	0	111.1	W820	W820-A822 PolarHBondContact O-N 3.09Å
823	Q	31.5	Very low	31.6	Very low	186 Å²	186	120.6 Å²	120.6	87%	0.869	66%	0.662	S	S	*	*			trans	-69.9	130.5	158.7	-78.3	-173.3	-27.4	0	0	108.8	N821 E825	N821-Q823 PolarHBondContact O-N 2.98Å; Q823-E825 PolarHBondContact O-N 3.22Å
824	G	29.7	Very low	31.3	Very low	82 Å²	82	127.4 Å²	127.4	85%	0.845	69%	0.689	S	S	*	*			trans	-81.8	95.9	179.4	0	0	0	0	0	111.7	G826	G824-G826 VanDerWaalsContact C-N 3.32Å; G824-G826 PolarHBondContact O-N 3.35Å
825	E	28.7	Very low	31.2	Very low	201 Å²	201	128.6 Å²	128.6	94%	0.939	70%	0.699	S	S	*	*			trans	-68.9	91.1	160.3	-70.4	-169.6	138.3	0	0	109.4	Q823	Q823-E825 PolarHBondContact O-N 3.22Å
826	G	29	Very low	31.3	Very low	77 Å²	77	132.7 Å²	132.7	79%	0.794	72%	0.719	S	S	*	*			trans	-87.3	102.9	163.3	0	0	0	0	0	109	G824	G824-G826 VanDerWaalsContact C-N 3.32Å; G824-G826 PolarHBondContact O-N 3.35Å
827	G	29.9	Very low	31.2	Very low	73 Å²	73	134.1 Å²	134.1	75%	0.753	72%	0.717	S	S	*	*			trans	-69	158.6	-179.4	0	0	0	0	0	113.8
828	E	26.1	Very low	30.9	Very low	198 Å²	198	140.3 Å²	140.3	93%	0.925	74%	0.735	S	S	*	*			trans	-76.5	117.5	174.1	-59.5	171	138	0	0	110.3
829	E	32.5	Very low	30.8	Very low	193 Å²	193	147.1 Å²	147.1	90%	0.902	76%	0.763	S	S	*	*			trans	-133.2	131.2	160	-71.9	-168.8	148	0	0	109
830	E	28.3	Very low	30.9	Very low	187 Å²	187	148 Å²	148	87%	0.874	77%	0.767	S	S	*	*			trans	-92.5	178.8	178.3	-67.4	-169.7	105.3	0	0	112.1
831	E	31.1	Very low	31.1	Very low	149 Å²	149	146.4 Å²	146.4	70%	0.696	78%	0.775	S	S	*	*			trans	86.6	95	160.4	-50	-138.9	101.5	0	0	119.7
832	K	31.3	Very low	31.3	Very low	144 Å²	144	147.5 Å²	147.5	63%	0.626	78%	0.777	S	S	*	*				66.8	132.6	119.9	-68.2	167	-175.5	159.7	0	122.1
833	E	29.1	Very low	31.4	Very low	166 Å²	166	149.3 Å²	149.3	78%	0.776	77%	0.773	S	S	*	*			trans	67.1	145.4	136.5	-66.9	154	-166.4	0	0	117.6
834	E	31.6	Very low	31.5	Very low	170 Å²	170	144.8 Å²	144.8	79%	0.794	76%	0.762	S	S	*	*			cis	-157.7	157.1	-3.9	-135.3	-179	175.7	0	0	110.7
835	E	30.1	Very low	31.7	Very low	142 Å²	142	151.7 Å²	151.7	66%	0.664	76%	0.762	S	S	*	*			trans	53.2	161.3	168.5	-78.6	-145.9	95.1	0	0	118.4	Q837	E835-Q837 WeakPolarHBondContact OE1-CG 3.39Å; E835-Q837 PolarHBondContact OE1-NE2 2.94Å
836	V	33.3	Very low	32.1	Very low	109 Å²	109	147.5 Å²	147.5	66%	0.661	75%	0.747	S	S	*	*			cis	-138.2	125.2	24.4	169.9	0	0	0	0	110.7
837	Q	33.1	Very low	32.4	Very low	112 Å²	112	150 Å²	150	52%	0.523	74%	0.741	S	S	.	*			trans	30.4	134.1	135.1	-44.7	169.6	24.3	0	0	118.9	E835	E835-Q837 WeakPolarHBondContact OE1-CG 3.39Å; E835-Q837 PolarHBondContact OE1-NE2 2.94Å
838	R	32.2	Very low	32.5	Very low	201 Å²	201	153.4 Å²	153.4	76%	0.758	74%	0.743	S	S	*	*			cis	-176.5	155.2	33.3	-122.1	166.9	-72.8	130.9	-0.2	105.7
839	K	34	Very low	32.9	Very low	181 Å²	181	149.9 Å²	149.9	79%	0.787	74%	0.737	S	S	*	*			cis	-153.7	147.7	21.6	-46.8	167.1	-176.6	169	0	111.6
840	I	32.6	Very low	32.9	Very low	153 Å²	153	146.1 Å²	146.1	79%	0.785	73%	0.732	S	S	*	*				11.4	143.9	119.6	-56.3	154.6	0	0	0	117.7
841	P	34.9	Very low	33.2	Very low	110 Å²	110	141.9 Å²	141.9	71%	0.714	72%	0.723	S	S	*	*			cis	-124.4	-178	11.1	18.9	7.3	0	0	0	114.2
842	M	36	Very low	33.4	Very low	163 Å²	163	142.2 Å²	142.2	80%	0.803	73%	0.728	S	S	*	*			cis	-158.7	153.3	-2.4	-124.9	171.6	-174.2	0	0	110.7
843	N	34	Very low	33.3	Very low	139 Å²	139	141.9 Å²	141.9	74%	0.743	73%	0.734	S	S	*	*			trans	53.7	144.3	149.2	-65.4	-9.7	0	0	0	122
844	S	34.7	Very low	33.6	Very low	91 Å²	91	138.8 Å²	138.8	64%	0.636	73%	0.73	S	S	*	*			cis	-174.8	137.5	-13.8	52.2	0	0	0	0	112.9
845	R	34.1	Very low	33.6	Very low	226 Å²	226	136.3 Å²	136.3	85%	0.853	73%	0.732	S	S	*	*			trans	61.8	155.5	150.6	-66.1	-170.5	163.1	159.1	-4.2	118.1
846	N	36.3	Very low	33.9	Very low	114 Å²	114	134.9 Å²	134.9	61%	0.61	74%	0.737	S	S	*	*			cis	-157.2	125.5	-9.2	-111.2	10.8	0	0	0	106
847	N	34.7	Very low	33.9	Very low	128 Å²	128	139.4 Å²	139.4	68%	0.684	75%	0.748	S	S	*	*				90.6	128.7	89.4	-73.4	19	0	0	0	116.9
848	N	32.6	Very low	33.9	Very low	146 Å²	146	139.9 Å²	139.9	78%	0.781	76%	0.761	S	S	*	*			trans	78.4	103.9	148.7	-60.7	10.9	0	0	0	121.5
849	P	35	Very low	33.8	Very low	123 Å²	123	138 Å²	138	80%	0.799	76%	0.764	S	S	*	*			trans	-94.8	167.4	147.2	38.3	-32.2	0	0	0	111.9
850	S	31.3	Very low	33.4	Very low	114 Å²	114	140.1 Å²	140.1	80%	0.797	77%	0.767	S	S	*	*			trans	-179	155.2	147.8	35.5	0	0	0	0	115.3
851	S	35.3	Very low	33.3	Very low	99 Å²	99	141.5 Å²	141.5	69%	0.692	77%	0.773	S	S	*	*			trans	96.3	121.4	146.3	79.8	0	0	0	0	121.1
852	L	34.4	Very low	32.9	Very low	155 Å²	155	141.4 Å²	141.4	81%	0.812	77%	0.77	S	S	*	*			trans	66.4	147.6	138.6	-59.2	162.6	0	0	0	120.4
853	D	30.9	Very low	32.7	Very low	138 Å²	138	140.3 Å²	140.3	74%	0.738	77%	0.766	S	S	*	*			cis	-168	178.8	-33.8	-145	-35.1	0	0	0	110
854	S	34.7	Very low	32.6	Very low	100 Å²	100	141.1 Å²	141.1	70%	0.699	77%	0.771	S	S	*	*			trans	73.2	92.9	154.2	66.7	0	0	0	0	120.7
855	S	30.9	Very low	32.4	Very low	118 Å²	118	144.4 Å²	144.4	83%	0.825	78%	0.776	S	S	*	*				7.8	128.9	125.8	172.6	0	0	0	0	119.9
856	S	37.1	Very low	32.3	Very low	112 Å²	112	143.6 Å²	143.6	78%	0.783	78%	0.779	S	S	*	*				-171.6	120.8	116.3	63.8	0	0	0	0	116
857	K	34	Very low	32	Very low	204 Å²	204	144.7 Å²	144.7	89%	0.887	78%	0.784	S	S	*	*			trans	33	150.6	147.7	-70.5	-179.4	179.3	176.7	0	123.7
858	P	31.6	Very low	32.1	Very low	122 Å²	122	144.2 Å²	144.2	79%	0.792	79%	0.791	S	S	*	*			trans	-95.8	154.1	-168.2	38.2	-36.7	0	0	0	115.9
859	I	31.4	Very low	32.2	Very low	161 Å²	161	146.4 Å²	146.4	83%	0.826	79%	0.793	S	S	*	*			trans	-135.4	144.8	165	-65.8	-176.7	0	0	0	110.6
860	R	25	Very low	32.1	Very low	227 Å²	227	150.2 Å²	150.2	86%	0.857	80%	0.797	S	S	*	*			trans	-94.7	131.4	-179.3	-177.5	-166.8	-157.4	173.2	7.4	110.7
861	M	30.7	Very low	32.3	Very low	182 Å²	182	153.1 Å²	153.1	90%	0.897	80%	0.796	S	S	*	*			trans	-134.2	163.4	161.9	-77.4	-160.1	174.1	0	0	111.4
862	T	27.1	Very low	32.2	Very low	108 Å²	108	154.9 Å²	154.9	66%	0.663	80%	0.797	S	S	*	*			trans	-152	161.4	-157.7	-24.5	0	0	0	0	111.1
863	I	30	Very low	32.2	Very low	139 Å²	139	152.7 Å²	152.7	71%	0.713	80%	0.795	S	S	*	*			trans	69.1	112.1	160.7	-54.5	162.9	0	0	0	116
864	N	32.5	Very low	32.3	Very low	157 Å²	157	152 Å²	152	84%	0.84	80%	0.798	S	S	*	*				-163.7	158	107.8	-111	-65.2	0	0	0	115
865	Q	30	Very low	32.2	Very low	159 Å²	159	153.1 Å²	153.1	74%	0.743	80%	0.796	S	S	*	*			trans	-107.9	159.2	176.8	-56.8	168.6	-12.5	0	0	110.2
866	K	33.1	Very low	32.3	Very low	210 Å²	210	155.1 Å²	155.1	91%	0.913	79%	0.79	S	S	*	*			trans	-165.3	161	133.4	-112	159.3	-173	172.2	0	114.4
867	N	30.7	Very low	32.1	Very low	137 Å²	137	156.2 Å²	156.2	73%	0.733	79%	0.792	S	S	*	*			trans	-120.2	145.5	-164.8	-61.8	-71.3	0	0	0	113.4
868	S	36.4	Very low	31.8	Very low	117 Å²	117	155.4 Å²	155.4	82%	0.818	79%	0.791	S	S	*	*			trans	-159.4	105.5	150.1	51.9	0	0	0	0	109.2
869	K	34.2	Very low	31.7	Very low	192 Å²	192	161.6 Å²	161.6	84%	0.835	80%	0.799	S	S	*	*				85.8	132	56.2	-78.2	-169.4	170.6	-179.5	0	114.5
870	K	33.7	Very low	31.6	Very low	203 Å²	203	159.8 Å²	159.8	88%	0.883	80%	0.796	S	S	*	*			trans	84	139.9	175.1	-62.5	179.2	179.9	177.2	0	115.7
871	K	33.7	Very low	31.6	Very low	176 Å²	176	160.3 Å²	160.3	77%	0.765	80%	0.798	S	S	*	*			cis	-169.3	145.5	-20.3	-127.7	-165.8	173.5	-168.2	0	110.5
872	N	34.2	Very low	31.6	Very low	136 Å²	136	157.3 Å²	157.3	73%	0.727	79%	0.792	S	S	*	*			trans	62.8	154.2	163.1	-51.8	6.5	0	0	0	116
873	S	33.5	Very low	31.5	Very low	109 Å²	109	160 Å²	160	76%	0.762	80%	0.801	S	S	*	*			cis	-153.3	163.8	-20.9	-109.2	0	0	0	0	108.1
874	P	34.6	Very low	31.5	Very low	123 Å²	123	161.8 Å²	161.8	80%	0.799	81%	0.806	S	S	*	*			trans	-93.2	155.2	-162.2	36	-36.3	0	0	0	115.4
875	D	31.4	Very low	31.1	Very low	124 Å²	124	166 Å²	166	66%	0.663	81%	0.81	S	S	*	*			trans	-158	157.5	133.4	-152.9	0.2	0	0	0	113
876	K	32.5	Very low	31.1	Very low	159 Å²	159	164.3 Å²	164.3	69%	0.691	81%	0.807	S	S	*	*			trans	57.2	108.4	160	-77.8	158.9	-175.5	109.8	0	122
877	T	32.6	Very low	30.8	Very low	135 Å²	135	159.6 Å²	159.6	83%	0.828	80%	0.8	S	S	*	*			trans	55.3	103.2	135.6	57	0	0	0	0	120.1
878	Q	28.1	Very low	30.8	Very low	187 Å²	187	159.7 Å²	159.7	87%	0.874	80%	0.801	S	S	*	*			trans	-77.9	128.7	161	-68.8	174.5	-24	0	0	111.4
879	R	29.2	Very low	30.3	Very low	253 Å²	253	162.6 Å²	162.6	96%	0.955	81%	0.806	S	S	*	*			trans	-122.4	95.8	155	-93.4	-169.5	171.5	-168.5	-1.6	108.3
880	T	30.9	Very low	30	Very low	123 Å²	123	157.5 Å²	157.5	76%	0.755	80%	0.8	S	S	*	*			trans	-78.5	118	178.7	37.9	0	0	0	0	111.2
881	R	24.8	Very low	29.7	Very low	238 Å²	238	151.8 Å²	151.8	90%	0.898	79%	0.786	S	S	*	*			trans	-83	144.2	152.7	-72	179.2	173.2	169.9	-3.4	108.5
882	P	29.4	Very low	29.5	Very low	118 Å²	118	144.6 Å²	144.6	77%	0.766	76%	0.761	S	S	*	*				-110.9	169.9	128.3	-11.1	29.7	0	0	0	111.8
883	L	26.3	Very low	29.3	Very low	166 Å²	166	140.4 Å²	140.4	87%	0.869	74%	0.736	S	S	*	*			trans	-86.5	144.6	169.1	-74.2	68.3	0	0	0	109.2
884	E	29.4	Very low	29.1	Very low	175 Å²	175	141.8 Å²	141.8	82%	0.818	73%	0.734	S	S	*	*			trans	-144.1	139.1	153.9	-144.9	164.5	-127.6	0	0	110.7	N886	E884-N886 PolarHBondContact O-N 3.17Å
885	R	24.7	Very low	28.9	Very low	245 Å²	245	138.8 Å²	138.8	93%	0.925	72%	0.715	S	S	*	*			trans	-105.3	56.6	-157.5	-163.2	-174.3	-165	167.2	5.9	111.9	S887	R885-S887 PolarHBondContact O-N 3.46Å; R885-S887 VanDerWaalsContact O-N 3.16Å
886	N	28.7	Very low	28.7	Very low	125 Å²	125	136 Å²	136	67%	0.668	72%	0.715	S	S	*	*			trans	-67.3	111.9	-169.3	-91.8	-34.3	0	0	0	114.1	E884 N888	E884-N886 PolarHBondContact O-N 3.17Å; N886-N888 VanDerWaalsContact C-N 3.31Å; N886-N888 PolarHBondContact O-N 2.95Å; N886-N888 VanDerWaalsContact O-N 3.08Å
887	S	28.1	Very low	28.4	Very low	111 Å²	111	136.8 Å²	136.8	78%	0.776	71%	0.714	S	S	*	*			trans	-85.3	52.7	-174.3	55.2	0	0	0	0	113.8	R885	R885-S887 PolarHBondContact O-N 3.46Å; R885-S887 VanDerWaalsContact O-N 3.16Å
888	N	29.8	Very low	28.1	Very low	138 Å²	138	135.4 Å²	135.4	74%	0.738	71%	0.705	S	S	*	*			trans	-109.1	52.5	-175.8	-75.9	-18.8	0	0	0	113.7	N886 A890	N886-N888 VanDerWaalsContact C-N 3.31Å; N886-N888 PolarHBondContact O-N 2.95Å; N886-N888 VanDerWaalsContact O-N 3.08Å; N888-A890 PolarHBondContact O-N 3.38Å
889	L	27.1	Very low	28.2	Very low	178 Å²	178	131.7 Å²	131.7	93%	0.932	69%	0.691	S	S	*	*			trans	-94.8	73	167.8	-90.5	78.5	0	0	0	111.3
890	A	27.2	Very low	28.1	Very low	85 Å²	85	128.7 Å²	128.7	70%	0.702	68%	0.681	S	S	*	*			trans	-108.2	165.9	167.7	0	0	0	0	0	111.3	N888 G892	N888-A890 PolarHBondContact O-N 3.38Å; A890-G892 PolarHBondContact O-N 2.97Å
891	S	27.7	Very low	27.9	Very low	84 Å²	84	125.8 Å²	125.8	59%	0.587	67%	0.67	S	S	*	*			trans	-83.4	100.3	-169.3	49.7	0	0	0	0	113.5
892	G	29.2	Very low	28	Very low	24 Å²	24	120.4 Å²	120.4	25%	0.247	65%	0.65	C	S	.	*			trans	-119.8	166.4	158.5	0	0	0	0	0	112.2	D273 R736 A890	D273-G892 WeakPolarHBondContact OD2-CA 3.47Å; R736-G892 PolarHBondContact NH2-O 3.47Å; A890-G892 PolarHBondContact O-N 2.97Å
893	F	29.9	Very low	27.8	Very low	48 Å²	48	120.1 Å²	120.1	21%	0.211	65%	0.646	C	S	.	*			trans	-105.2	88.1	171.7	-127.8	-82.1	0	0	0	109.4	D273 R736 A737 P895	D273-F893 PolarHBondContact OD2-N 3.22Å; R736-F893 HydrophobicContact CB-CE2 4.49Å; R736-F893 HydrophobicContact CG-CE2 3.9Å; R736-F893 HydrophobicContact CG-CZ 4.46Å; A737-F893 HydrophobicContact CB-CE2 4.48Å; A737-F893 HydrophobicContact CB-CZ 4.06Å; F893-P895 WeakPolarHBondContact O-CD 3.39Å
894	I	30.2	Very low	27.7	Very low	139 Å²	139	117 Å²	117	71%	0.713	64%	0.635	S	S	*	*			trans	-104.6	93.6	-176.1	-56.7	171.6	0	0	0	109.5	G896	I894-G896 PolarHBondContact O-N 2.89Å
895	P	29.1	Very low	27.7	Very low	60 Å²	60	113.5 Å²	113.5	39%	0.39	62%	0.621	S	S	.	*			trans	-79.1	49.4	163.9	37.6	-36.6	0	0	0	109.9	Q271 F893 W897	Q271-P895 HydrophobicContact CG-CG 4.27Å; Q271-P895 VanDerWaalsContact OE1-CG 3.27Å; F893-P895 WeakPolarHBondContact O-CD 3.39Å; P895-W897 CarbonylContact O-C 3.59Å; P895-W897 PolarHBondContact O-N 3.33Å; P895-W897 VanDerWaalsContact O-N 3.09Å
896	G	27.9	Very low	27.9	Very low	66 Å²	66	106.2 Å²	106.2	68%	0.68	61%	0.608	S	S	*	*			trans	-68.9	0.6	173.8	0	0	0	0	0	113.3	I894 T898	I894-G896 PolarHBondContact O-N 2.89Å; G896-T898 PolarHBondContact O-N 3.34Å
897	W	26.6	Very low	27.7	Very low	174 Å²	174	105.2 Å²	105.2	66%	0.659	61%	0.61	S	S	*	*	S	Bend	trans	-76.9	110.7	158.1	-63.4	81.5	0	0	0	108.4	P895 L899 A901	P895-W897 CarbonylContact O-C 3.59Å; P895-W897 PolarHBondContact O-N 3.33Å; P895-W897 VanDerWaalsContact O-N 3.09Å; W897-L899 PolarHBondContact O-N 2.93Å; W897-L899 VanDerWaalsContact O-N 3.08Å; W897-A901 HydrophobicContact CE3-CB 3.86Å; W897-A901 HydrophobicContact CZ3-CB 4.2Å
898	T	26.9	Very low	27.8	Very low	106 Å²	106	105 Å²	105	65%	0.65	61%	0.607	S	S	*	*			trans	-53.5	116.9	151	40.2	0	0	0	0	107.6	G896 Y900 A901	G896-T898 PolarHBondContact O-N 3.34Å; T898-Y900 PolarHBondContact O-N 3.19Å; T898-A901 PolarHBondContact O-N 2.86Å; T898-A901 VanDerWaalsContact O-N 3.1Å
899	L	29.5	Very low	27.7	Very low	109 Å²	109	103.2 Å²	103.2	57%	0.571	61%	0.611	S	S	*	*	G	3₁₀ helix	trans	-65.7	-0.1	-174	-99.8	164.4	0	0	0	114.3	W897 A901 W902	W897-L899 PolarHBondContact O-N 2.93Å; W897-L899 VanDerWaalsContact O-N 3.08Å; L899-A901 PolarHBondContact O-N 3.34Å; L899-W902 PolarHBondContact O-N 3.47Å; L899-W902 VanDerWaalsContact O-N 3.16Å
900	Y	27.7	Very low	27.9	Very low	190 Å²	190	103.2 Å²	103.2	75%	0.745	60%	0.603	S	S	*	*	G	3₁₀ helix	trans	-60.8	-7.4	162.8	-65	-89.8	0	0	0	114.7	T898 W902	T898-Y900 PolarHBondContact O-N 3.19Å; Y900-W902 VanDerWaalsContact C-N 3.29Å; Y900-W902 CarbonylContact C-O 3.59Å; Y900-W902 CarbonylContact O-C 3.56Å; Y900-W902 VanDerWaalsContact O-O 3.11Å
901	A	25.9	Very low	27.8	Very low	63 Å²	63	108.1 Å²	108.1	52%	0.521	61%	0.612	S	S	.	*	G	3₁₀ helix	trans	-76.9	-10.6	169.5	0	0	0	0	0	113.9	W897 T898 L899 T903	W897-A901 HydrophobicContact CE3-CB 3.86Å; W897-A901 HydrophobicContact CZ3-CB 4.2Å; T898-A901 PolarHBondContact O-N 2.86Å; T898-A901 VanDerWaalsContact O-N 3.1Å; L899-A901 PolarHBondContact O-N 3.34Å; A901-T903 PolarHBondContact O-N 3.22Å
902	W	27.1	Very low	28	Very low	125 Å²	125	111.7 Å²	111.7	47%	0.473	62%	0.619	S	S	.	*	S	Bend	trans	-73.4	103.5	142	-78.7	71.1	0	0	0	105.8	L446 L899 Y900 P904	L446-W902 HydrophobicContact CD2-CH2 4.17Å; L899-W902 PolarHBondContact O-N 3.47Å; L899-W902 VanDerWaalsContact O-N 3.16Å; Y900-W902 VanDerWaalsContact C-N 3.29Å; Y900-W902 CarbonylContact C-O 3.59Å; Y900-W902 CarbonylContact O-C 3.56Å; Y900-W902 VanDerWaalsContact O-O 3.11Å; W902-P904 WeakPolarHBondContact O-CD 3.5Å
903	T	25	Very low	28.1	Very low	112 Å²	112	117 Å²	117	69%	0.687	65%	0.646	S	S	*	*			trans	-59	114.5	171.9	48.7	0	0	0	0	108.2	A901 I905	A901-T903 PolarHBondContact O-N 3.22Å; T903-I905 PolarHBondContact O-N 3.02Å
904	P	25.1	Very low	28.1	Very low	99 Å²	99	125.5 Å²	125.5	64%	0.643	68%	0.679	S	S	*	*			trans	-66.6	115.1	173.7	27.9	-31.5	0	0	0	106.9	W902 S906	W902-P904 WeakPolarHBondContact O-CD 3.5Å; P904-S906 PolarHBondContact O-N 3.11Å
905	I	27.7	Very low	28.2	Very low	103 Å²	103	126 Å²	126	53%	0.528	68%	0.683	S	S	.	*			trans	-72.2	82.7	172	-59.1	-178.4	0	0	0	106.9	D124 T903	D124-I905 HydrophobicContact CB-CG2 4.21Å; T903-I905 PolarHBondContact O-N 3.02Å
906	S	29.2	Very low	28.1	Very low	91 Å²	91	132.1 Å²	132.1	64%	0.636	70%	0.703	S	S	*	*			trans	15.5	105.5	170.2	56.3	0	0	0	0	116.2	P904	P904-S906 PolarHBondContact O-N 3.11Å
907	S	25.8	Very low	28.4	Very low	104 Å²	104	135 Å²	135	73%	0.727	71%	0.71	S	S	*	*			trans	-48.7	138.9	145.9	173.9	0	0	0	0	108.5	A909	S907-A909 PolarHBondContact O-N 2.97Å
908	P	28.7	Very low	28.9	Very low	107 Å²	107	133 Å²	133	70%	0.695	72%	0.716	S	S	*	*			trans	-56.3	137.4	173.3	25	-34.2	0	0	0	109.6	K910	P908-K910 PolarHBondContact O-N 3.41Å; P908-K910 VanDerWaalsContact O-N 3.1Å
909	A	27.7	Very low	29	Very low	100 Å²	100	134.9 Å²	134.9	83%	0.826	72%	0.723	S	S	*	*			trans	-66.4	110.8	178.7	0	0	0	0	0	109.4	S907 E911	S907-A909 PolarHBondContact O-N 2.97Å; A909-E911 PolarHBondContact O-N 3.38Å
910	K	31.8	Very low	29.1	Very low	178 Å²	178	137.5 Å²	137.5	77%	0.774	74%	0.737	S	S	*	*			trans	-79.9	111.2	158.7	-78.6	-171.4	173.6	-176.7	0	107.6	P908 H912	P908-K910 PolarHBondContact O-N 3.41Å; P908-K910 VanDerWaalsContact O-N 3.1Å; K910-H912 PolarHBondContact O-N 2.92Å; K910-H912 VanDerWaalsContact O-N 3.1Å
911	E	25.7	Very low	29.2	Very low	189 Å²	189	133.3 Å²	133.3	88%	0.883	74%	0.736	S	S	*	*			trans	-58.4	112.7	169.9	-63.8	176.6	119.7	0	0	109.1	A909	A909-E911 PolarHBondContact O-N 3.38Å
912	H	31.4	Very low	29.3	Very low	159 Å²	159	139.9 Å²	139.9	74%	0.736	75%	0.753	S	S	*	*			trans	-111.6	117.5	160.4	-81.3	-67.6	0	0	0	107.4	K910 Y914	K910-H912 PolarHBondContact O-N 2.92Å; K910-H912 VanDerWaalsContact O-N 3.1Å; H912-Y914 PolarHBondContact O-N 3.49Å
913	T	31.1	Very low	29.5	Very low	134 Å²	134	140 Å²	140	82%	0.822	77%	0.767	S	S	*	*			trans	-60.6	128.3	-172.1	-20.2	0	0	0	0	110.9	D915	T913-D915 PolarHBondContact O-N 3.47Å
914	Y	29.4	Very low	29.6	Very low	227 Å²	227	142 Å²	142	89%	0.89	77%	0.769	S	S	*	*			trans	-78.7	105.3	167.4	-98.6	-90	0	0	0	109.4	H912	H912-Y914 PolarHBondContact O-N 3.49Å
915	D	32.6	Very low	29.8	Very low	149 Å²	149	146.6 Å²	146.6	80%	0.797	78%	0.782	S	S	*	*	P	Polyproline II helix	trans	-68.1	135.3	161.2	-83.9	-44.7	0	0	0	109.9	T913	T913-D915 PolarHBondContact O-N 3.47Å
916	K	28.3	Very low	29.7	Very low	189 Å²	189	147.5 Å²	147.5	82%	0.822	79%	0.788	S	S	*	*	P	Polyproline II helix	trans	-82.5	128.1	179.7	-65.9	179.4	177.1	-177.8	0	110.8
917	P	33.3	Very low	29.8	Very low	127 Å²	127	150 Å²	150	83%	0.825	80%	0.799	S	S	*	*	P	Polyproline II helix	trans	-68.1	144.2	151.6	31.1	-31.4	0	0	0	109.2
918	V	36.4	Very low	29.9	Very low	131 Å²	131	152.5 Å²	152.5	79%	0.794	80%	0.804	S	S	*	*	P	Polyproline II helix	trans	-90.1	147	-173.2	174.8	0	0	0	0	111.2
919	D	29	Very low	30	Very low	146 Å²	146	158.9 Å²	158.9	78%	0.781	82%	0.816	S	S	*	*	P	Polyproline II helix	trans	-55.4	137.6	174	-56.9	-80.8	0	0	0	113
920	N	33.2	Very low	30	Very low	164 Å²	164	157.2 Å²	157.2	88%	0.877	81%	0.809	S	S	*	*			trans	-153.9	99.9	149.9	-103	-45.4	0	0	0	109.8
921	S	28.2	Very low	29.9	Very low	102 Å²	102	157.9 Å²	157.9	71%	0.713	82%	0.815	S	S	*	*			trans	-72.9	143.5	174.6	54.6	0	0	0	0	112
922	F	29.1	Very low	30.2	Very low	201 Å²	201	154.6 Å²	154.6	88%	0.882	81%	0.812	S	S	*	*			trans	-146.9	96.8	147.7	-111.9	-75.4	0	0	0	113
923	V	31.4	Very low	30.1	Very low	127 Å²	127	150.6 Å²	150.6	77%	0.77	82%	0.815	S	S	*	*			trans	60.9	125.1	144.2	-179.5	0	0	0	0	119.8
924	Q	26.9	Very low	30	Very low	154 Å²	154	151.1 Å²	151.1	72%	0.72	81%	0.811	S	S	*	*			trans	-81.6	162.5	165.1	-62.1	163.5	-105.6	0	0	111.8	D926	Q924-D926 PolarHBondContact NE2-OD2 2.98Å
925	E	30.3	Very low	30	Very low	196 Å²	196	148 Å²	148	92%	0.916	81%	0.805	S	S	*	*			trans	-147.2	109.5	137.6	-144.5	164.4	-143.3	0	0	110.9
926	D	25.1	Very low	30	Very low	123 Å²	123	147.1 Å²	147.1	66%	0.658	80%	0.8	S	S	*	*			trans	-103.3	136.5	178.2	-68.8	-72.9	0	0	0	110.2	Q924	Q924-D926 PolarHBondContact NE2-OD2 2.98Å
927	T	31	Very low	30.2	Very low	142 Å²	142	143.6 Å²	143.6	87%	0.871	79%	0.794	S	S	*	*			trans	-137.9	128.4	165.3	42.5	0	0	0	0	112.8
928	N	26.8	Very low	30	Very low	157 Å²	157	147.2 Å²	147.2	84%	0.84	80%	0.797	S	S	*	*			trans	-101.7	129	177.4	-91.6	-56.7	0	0	0	111.2
929	Y	30.6	Very low	29.5	Very low	242 Å²	242	145 Å²	145	95%	0.949	80%	0.801	S	S	*	*			trans	-162.4	152	151.8	-85.9	-76	0	0	0	107.8
930	G	29	Very low	29.4	Very low	65 Å²	65	147.3 Å²	147.3	67%	0.67	81%	0.807	S	S	*	*			cis	151.9	109	-7.2	0	0	0	0	0	113.5
931	E	28.8	Very low	29	Very low	192 Å²	192	147.3 Å²	147.3	90%	0.897	81%	0.806	S	S	*	*			trans	76.3	154	154.7	-160.6	161.7	-150.3	0	0	120.8
932	S	32.1	Very low	29	Very low	119 Å²	119	149.7 Å²	149.7	83%	0.832	81%	0.811	S	S	*	*			trans	66.7	143.4	-179.5	-57.5	0	0	0	0	116.8
933	G	29.8	Very low	28.8	Very low	76 Å²	76	150.4 Å²	150.4	78%	0.784	81%	0.809	S	S	*	*			cis	126	144.5	10.3	0	0	0	0	0	109.8
934	L	29.5	Very low	28.7	Very low	144 Å²	144	150 Å²	150	75%	0.754	81%	0.809	S	S	*	*			cis	-168.7	133.4	4.2	172.3	70.5	0	0	0	109.9
935	H	29.5	Very low	28.8	Very low	163 Å²	163	151.3 Å²	151.3	76%	0.755	82%	0.815	S	S	*	*			trans	61.4	163.5	170.9	-67.2	-46.3	0	0	0	117.1
936	D	31.2	Very low	28.7	Very low	129 Å²	129	149 Å²	149	69%	0.69	81%	0.808	S	S	*	*			cis	-149.9	171.3	16.8	-148.8	-19.1	0	0	0	114.1
937	T	33.1	Very low	28.9	Very low	115 Å²	115	151.2 Å²	151.2	71%	0.706	81%	0.813	S	S	*	*			trans	56.9	112	168.4	55.6	0	0	0	0	118.3
938	K	28.7	Very low	28.8	Very low	203 Å²	203	150.1 Å²	150.1	88%	0.883	81%	0.808	S	S	*	*				76.8	73.4	65.5	-73	-172.5	173.6	176.9	0	117.1
939	G	25.4	Very low	28.9	Very low	84 Å²	84	149.7 Å²	149.7	87%	0.866	80%	0.799	S	S	*	*				78.9	110.6	109.2	0	0	0	0	0	120.2
940	E	27.6	Very low	28.9	Very low	195 Å²	195	144 Å²	144	91%	0.911	79%	0.788	S	S	*	*			trans	-145.8	161.7	155.8	-163.2	144.5	-146.6	0	0	108.9
941	L	24.7	Very low	28.9	Very low	164 Å²	164	148 Å²	148	86%	0.859	80%	0.795	S	S	*	*			trans	-92.3	135.2	174.9	-90.6	67	0	0	0	109.5
942	D	28.9	Very low	29	Very low	153 Å²	153	147.7 Å²	147.7	82%	0.818	80%	0.795	S	S	*	*			trans	-161.6	167.5	139.9	-131.2	-33.6	0	0	0	115.2
943	Y	23.7	Very low	28.8	Very low	215 Å²	215	147.9 Å²	147.9	84%	0.843	79%	0.787	S	S	*	*			trans	-83.7	138.4	-176.7	-82.6	-105.1	0	0	0	114.3
944	P	30	Very low	28.7	Very low	118 Å²	118	149.2 Å²	149.2	77%	0.766	79%	0.785	S	S	*	*			trans	-140.7	83.3	151.4	36.1	-18.9	0	0	0	113.5
945	Q	29.5	Very low	28.7	Very low	183 Å²	183	150.9 Å²	150.9	86%	0.855	79%	0.789	S	S	*	*			trans	-138.9	49	165.8	-73.6	-158.1	-1	0	0	113.6
946	L	26.9	Very low	28.5	Very low	147 Å²	147	147.3 Å²	147.3	77%	0.77	80%	0.795	S	S	*	*	S	Bend	trans	-132	159.6	156.4	-77.4	95.2	0	0	0	109.2
947	F	30.5	Very low	28.4	Very low	170 Å²	170	147.7 Å²	147.7	75%	0.746	80%	0.797	S	S	*	*			trans	67.2	74.7	177.5	-50.9	-73.6	0	0	0	118.2	F949	F947-F949 PolarHBondContact O-N 3.46Å
948	P	28.3	Very low	27.9	Very low	119 Å²	119	150.1 Å²	150.1	77%	0.773	81%	0.805	S	S	*	*	S	Bend	trans	-78.3	37.8	169.9	36.3	-37.5	0	0	0	113.7
949	F	30.1	Very low	27.9	Very low	148 Å²	148	148.5 Å²	148.5	65%	0.649	81%	0.805	S	S	*	*			trans	-138	31.2	-172.7	-72.3	-64.2	0	0	0	115	F947	F947-F949 PolarHBondContact O-N 3.46Å
950	V	30.6	Very low	27.9	Very low	121 Å²	121	149 Å²	149	73%	0.733	80%	0.795	S	S	*	*			trans	-128.6	57.5	-179.2	-163.2	0	0	0	0	112.5
951	N	28.9	Very low	27.8	Very low	150 Å²	150	147.4 Å²	147.4	80%	0.802	79%	0.791	S	S	*	*			trans	-165.2	58.3	159.6	-123.9	-22.5	0	0	0	115.3
952	M	29.2	Very low	28	Very low	185 Å²	185	149 Å²	149	91%	0.911	80%	0.797	S	S	*	*			trans	-141.7	60.4	174.3	-83.2	-67.1	162.1	0	0	111.6
953	N	28.5	Very low	27.9	Very low	124 Å²	124	145.2 Å²	145.2	66%	0.663	79%	0.794	S	S	*	*	S	Bend	trans	-152.8	27.3	174.5	-120.2	-7.8	0	0	0	117.3
954	S	27.9	Very low	28	Very low	104 Å²	104	140 Å²	140	73%	0.727	79%	0.789	S	S	*	*			trans	-165.3	90.9	164.5	59.5	0	0	0	0	114
955	Q	29.9	Very low	28	Very low	179 Å²	179	142 Å²	142	84%	0.836	79%	0.793	S	S	*	*			trans	-167.2	90.7	153.9	-113.8	164.5	56.1	0	0	111.9	L957	Q955-L957 HydrophobicContact CG-CD1 4.37Å; Q955-L957 PolarHBondContact O-N 3.02Å
956	G	25	Very low	27.8	Very low	87 Å²	87	142.1 Å²	142.1	90%	0.897	79%	0.793	S	S	*	*			trans	-86.5	96.3	161	0	0	0	0	0	109.1
957	L	29.5	Very low	27.9	Very low	137 Å²	137	144.2 Å²	144.2	72%	0.717	80%	0.796	S	S	*	*			trans	-144.2	122.7	-178.2	-113.9	158.1	0	0	0	111.2	Q955 I959	Q955-L957 HydrophobicContact CG-CD1 4.37Å; Q955-L957 PolarHBondContact O-N 3.02Å; L957-I959 PolarHBondContact O-N 3.42Å
958	N	22.7	Very low	27.7	Very low	166 Å²	166	145.8 Å²	145.8	89%	0.888	80%	0.803	S	S	*	*			trans	-72.2	120.5	179.7	-66.6	-51.6	0	0	0	110.9
959	I	28.9	Very low	27.8	Very low	169 Å²	169	148.3 Å²	148.3	87%	0.867	81%	0.809	S	S	*	*			trans	-130.6	148.5	159.5	-62	-176.6	0	0	0	108.3	L957	L957-I959 PolarHBondContact O-N 3.42Å
960	S	24.9	Very low	27.6	Very low	96 Å²	96	152.3 Å²	152.3	67%	0.671	82%	0.82	S	S	*	*			trans	-101.9	138.9	-148.9	53.6	0	0	0	0	116.6
961	I	24.8	Very low	27.5	Very low	161 Å²	161	153.7 Å²	153.7	83%	0.826	82%	0.824	S	S	*	*			trans	41.8	99.7	132.8	-48.8	173	0	0	0	117.3
962	M	29.4	Very low	27.4	Very low	197 Å²	197	154.4 Å²	154.4	97%	0.97	83%	0.827	S	S	*	*			trans	-163.7	142	134.9	-100.9	-175.2	-173.4	0	0	108.2
963	G	26.1	Very low	27.3	Very low	73 Å²	73	151.4 Å²	151.4	75%	0.753	83%	0.825	S	S	*	*			cis	171.9	33.5	-2.8	0	0	0	0	0	116.5
964	S	27.8	Very low	27.3	Very low	106 Å²	106	150.8 Å²	150.8	74%	0.741	83%	0.825	S	S	*	*			trans	-148.1	143.6	-178.8	55.3	0	0	0	0	114.8
965	D	28.2	Very low	27.3	Very low	160 Å²	160	153.4 Å²	153.4	86%	0.856	82%	0.824	S	S	*	*			trans	69.2	26.7	163.4	-60.1	-14.1	0	0	0	121	K967	D965-K967 PolarHBondContact O-N 3.49Å
966	E	25.9	Very low	27.1	Very low	185 Å²	185	149.9 Å²	149.9	86%	0.864	81%	0.811	S	S	*	*	T	Hydrogen-bonded Turn	trans	-68.7	87.7	153.8	-77.9	-152.2	136.4	0	0	111.8
967	K	28.6	Very low	27.2	Very low	192 Å²	192	151.8 Å²	151.8	84%	0.835	81%	0.807	S	S	*	*	T	Hydrogen-bonded Turn	trans	-151	-2.9	167.7	-122.1	162.1	-168.7	170.5	0	119.7	D965	D965-K967 PolarHBondContact O-N 3.49Å
968	F	27.5	Very low	27.2	Very low	202 Å²	202	151.8 Å²	151.8	89%	0.886	81%	0.808	S	S	*	*	S	Bend	trans	-116.3	-1.2	-175.2	-102.1	-78.2	0	0	0	117.4
969	L	30.7	Very low	27.4	Very low	172 Å²	172	152.7 Å²	152.7	90%	0.901	80%	0.8	S	S	*	*			trans	-120.2	7.9	-179.1	-70.9	173.8	0	0	0	115.7	N971	L969-N971 VanDerWaalsContact C-N 3.27Å; L969-N971 PolarHBondContact O-N 3.5Å; L969-N971 VanDerWaalsContact O-N 3.09Å
970	R	25.4	Very low	27.4	Very low	232 Å²	232	155.7 Å²	155.7	88%	0.875	80%	0.802	S	S	*	*	S	Bend	trans	-81.1	71.7	161.1	-84.4	-166	177.5	-149.9	2.9	110.9
971	N	27.6	Very low	27.7	Very low	151 Å²	151	159.6 Å²	159.6	81%	0.807	81%	0.809	S	S	*	*	S	Bend	trans	178.7	81.9	154.2	-94.1	-20.6	0	0	0	111.2	L969	L969-N971 VanDerWaalsContact C-N 3.27Å; L969-N971 PolarHBondContact O-N 3.5Å; L969-N971 VanDerWaalsContact O-N 3.09Å
972	N	28.1	Very low	27.8	Very low	164 Å²	164	159 Å²	159	88%	0.877	81%	0.808	S	S	*	*			trans	-176.6	81	151.2	-96.2	-28.5	0	0	0	110.3	V974	N972-V974 PolarHBondContact O-N 3.32Å
973	S	25.5	Very low	27.8	Very low	123 Å²	123	157.7 Å²	157.7	86%	0.86	80%	0.804	S	S	*	*			trans	-89.4	84.8	-177.7	54.3	0	0	0	0	112.4
974	V	28.5	Very low	27.8	Very low	111 Å²	111	161.4 Å²	161.4	67%	0.673	81%	0.807	S	S	*	*			trans	-153.9	129.8	-176.7	144.5	0	0	0	0	108.4	N972	N972-V974 PolarHBondContact O-N 3.32Å
975	F	28.3	Very low	27.8	Very low	159 Å²	159	164 Å²	164	70%	0.697	81%	0.812	S	S	*	*			cis	-143.7	137.8	-11.3	-96.1	-53.4	0	0	0	111.4
976	N	26.3	Very low	27.7	Very low	105 Å²	105	161.6 Å²	161.6	56%	0.561	81%	0.808	S	S	*	*			trans	9.1	123.7	137.2	-168.3	2.2	0	0	0	118.7	N978	N976-N978 VanDerWaalsContact C-N 3.3Å; N976-N978 PolarHBondContact O-N 3.31Å
977	P	27	Very low	27.9	Very low	126 Å²	126	160.9 Å²	160.9	82%	0.818	81%	0.809	S	S	*	*	T	Hydrogen-bonded Turn	trans	-76.3	69.4	179.3	34.3	-37.8	0	0	0	113.3
978	N	28.8	Very low	27.7	Very low	137 Å²	137	164 Å²	164	73%	0.733	82%	0.816	S	S	*	*	T	Hydrogen-bonded Turn	trans	-147.8	14.3	174.7	-100.7	-52.9	0	0	0	114.5	N976	N976-N978 VanDerWaalsContact C-N 3.3Å; N976-N978 PolarHBondContact O-N 3.31Å
979	Y	27.1	Very low	27.7	Very low	186 Å²	186	160.3 Å²	160.3	73%	0.729	81%	0.81	S	S	*	*			trans	-108.6	36.8	-171.8	-106.9	-87	0	0	0	115.4
980	Y	28.8	Very low	27.6	Very low	231 Å²	231	158.8 Å²	158.8	91%	0.906	80%	0.803	S	S	*	*			trans	-111.3	62.8	172.8	-88.6	-78.5	0	0	0	112.4
981	H	30.8	Very low	27.7	Very low	179 Å²	179	158.1 Å²	158.1	83%	0.829	81%	0.806	S	S	*	*	S	Bend	trans	-149	-8.3	171	-130.8	-63.4	0	0	0	117.2
982	N	27.5	Very low	27.7	Very low	147 Å²	147	158.1 Å²	158.1	79%	0.786	80%	0.802	S	S	*	*			trans	-138.1	78.4	-178.7	-85.1	-41.9	0	0	0	111.6
983	L	29.5	Very low	27.7	Very low	170 Å²	170	157.1 Å²	157.1	89%	0.89	80%	0.796	S	S	*	*			trans	-148.3	22.2	168.1	-116.2	161.5	0	0	0	114.3
984	N	26.7	Very low	27.9	Very low	152 Å²	152	156.8 Å²	156.8	81%	0.813	79%	0.789	S	S	*	*	S	Bend	trans	-90.6	143.9	152	-79.1	-35.9	0	0	0	108
985	N	26.6	Very low	28.1	Very low	159 Å²	159	159.8 Å²	159.8	85%	0.85	79%	0.793	S	S	*	*	S	Bend	trans	65.1	77.5	179.2	-54.1	-25.7	0	0	0	117
986	S	27.3	Very low	28.2	Very low	111 Å²	111	158.7 Å²	158.7	78%	0.776	79%	0.794	S	S	*	*			trans	170.5	97.5	130.6	42.2	0	0	0	0	114
987	L	29	Very low	28.3	Very low	169 Å²	169	161 Å²	161	89%	0.885	81%	0.807	S	S	*	*	S	Bend	trans	-164.4	40.4	155.9	-112.9	162.8	0	0	0	112.6
988	W	24.9	Very low	28.4	Very low	257 Å²	257	164.9 Å²	164.9	97%	0.973	81%	0.811	S	S	*	*			trans	-133.9	54.3	-178.9	-101.8	65.9	0	0	0	111.1
989	T	28.2	Very low	28.3	Very low	126 Å²	126	165 Å²	165	77%	0.773	82%	0.816	S	S	*	*			trans	-144.5	120.5	176	27.2	0	0	0	0	113.6
990	N	26.9	Very low	28.4	Very low	139 Å²	139	162.5 Å²	162.5	74%	0.743	82%	0.821	S	S	*	*			trans	22.7	119.1	149.9	-65.6	-19.4	0	0	0	120.5
991	K	28.5	Very low	28.4	Very low	218 Å²	218	159 Å²	159	95%	0.948	82%	0.818	S	S	*	*			trans	-133.4	69.8	135.6	-148.1	171.3	-170.2	177	0	111.3
992	Q	27.7	Very low	28.2	Very low	152 Å²	152	158.1 Å²	158.1	71%	0.71	82%	0.819	S	S	*	*			trans	-77.6	169.2	165.1	-82.2	-172.6	-20.7	0	0	111.1
993	N	28.9	Very low	28.3	Very low	142 Å²	142	156.6 Å²	156.6	76%	0.759	81%	0.814	S	S	*	*			trans	75	137.8	171.8	-61.2	-27.1	0	0	0	115.3
994	T	29.6	Very low	28.2	Very low	116 Å²	116	155.2 Å²	155.2	71%	0.712	81%	0.808	S	S	*	*			cis	-155.9	163.6	11.8	-11.3	0	0	0	0	114.3
995	K	31.1	Very low	28.3	Very low	175 Å²	175	156.3 Å²	156.3	76%	0.761	81%	0.813	S	S	*	*			trans	87.4	109.4	150	-74.9	170.5	-178	177.7	0	120.8
996	N	32.1	Very low	28.4	Very low	135 Å²	135	156.4 Å²	156.4	72%	0.722	81%	0.813	S	S	*	*				92.3	86.4	125	-63	6.4	0	0	0	120.4
997	N	27.4	Very low	28.4	Very low	155 Å²	155	159.4 Å²	159.4	83%	0.829	81%	0.813	S	S	*	*				25.9	108.6	116.3	-56.3	5.5	0	0	0	118
998	K	28.4	Very low	28.7	Very low	206 Å²	206	159.7 Å²	159.7	90%	0.896	81%	0.813	S	S	*	*				-158	135.8	114.1	-113.9	173.8	-177.2	-179.4	0	112.1
999	T	27.7	Very low	28.9	Very low	139 Å²	139	154.5 Å²	154.5	85%	0.853	80%	0.8	S	S	*	*			trans	-79.6	128.6	170.5	46.2	0	0	0	0	110.6
1000	T	29.9	Very low	29	Very low	135 Å²	135	155.8 Å²	155.8	83%	0.828	80%	0.802	S	S	*	*			trans	-150.7	138.2	156.2	15.6	0	0	0	0	109.1
1001	N	27.3	Very low	29	Very low	157 Å²	157	154.4 Å²	154.4	84%	0.84	80%	0.8	S	S	*	*			trans	-69.2	140.8	170.7	-61.7	-28.4	0	0	0	109.3
1002	L	28.1	Very low	29.1	Very low	161 Å²	161	151.9 Å²	151.9	84%	0.843	80%	0.797	S	S	*	*			trans	-145.2	84.3	157.7	-147.1	71	0	0	0	110.4
1003	T	28.7	Very low	29.2	Very low	114 Å²	114	149.9 Å²	149.9	70%	0.699	80%	0.8	S	S	*	*			trans	-55.9	158.7	140.7	44.9	0	0	0	0	109.2
1004	D	27.8	Very low	29.2	Very low	142 Å²	142	150.8 Å²	150.8	76%	0.759	81%	0.805	S	S	*	*			trans	89.3	83.4	-179.6	-50.9	-30.1	0	0	0	116.2
1005	L	29.5	Very low	29.2	Very low	174 Å²	174	154.4 Å²	154.4	91%	0.911	81%	0.811	S	S	*	*			trans	-129.9	34.5	155.2	-106.8	170.2	0	0	0	112
1006	N	28.7	Very low	29.2	Very low	161 Å²	161	154.2 Å²	154.2	86%	0.861	82%	0.818	S	S	*	*			trans	-100.4	72.2	171.6	-89.7	-17.5	0	0	0	110.7
1007	K	27.2	Very low	29	Very low	175 Å²	175	151.4 Å²	151.4	76%	0.761	82%	0.821	S	S	*	*			trans	-169.9	96.7	162.8	-111.2	164.2	-175.9	176.6	0	111.8
1008	I	33.9	Very low	29.2	Very low	174 Å²	174	148 Å²	148	89%	0.892	82%	0.815	S	S	*	*			trans	-116.4	139.4	148.1	-65.2	179.8	0	0	0	105.2
1009	Q	29.1	Very low	29.2	Very low	149 Å²	149	146.8 Å²	146.8	70%	0.696	81%	0.814	S	S	*	*			trans	-132.1	90.4	-149.3	-176.6	173.6	-43.3	0	0	111.2	P1011	Q1009-P1011 WeakPolarHBondContact O-CD 3.48Å
1010	D	30.2	Very low	29.4	Very low	152 Å²	152	145.5 Å²	145.5	81%	0.813	81%	0.809	S	S	*	*			trans	-73.9	116.4	173.4	-80	-47.2	0	0	0	111.3	N1012	D1010-N1012 PolarHBondContact O-N 3.35Å
1011	P	27.9	Very low	29.7	Very low	110 Å²	110	145.2 Å²	145.2	71%	0.714	80%	0.802	S	S	*	*			trans	-97	74	-170.1	37.2	-33	0	0	0	112	Q1009	Q1009-P1011 WeakPolarHBondContact O-CD 3.48Å
1012	N	30.7	Very low	30.1	Very low	165 Å²	165	145 Å²	145	88%	0.882	80%	0.796	S	S	*	*			trans	-144.1	11.4	177.7	-109.2	-30.9	0	0	0	117.3	D1010	D1010-N1012 PolarHBondContact O-N 3.35Å
1013	S	30.2	Very low	30.3	Very low	110 Å²	110	143.3 Å²	143.3	77%	0.769	79%	0.787	S	S	*	*			trans	-106	43.4	-179.3	70.2	0	0	0	0	114.2
1014	N	28	Very low	30.7	Very low	162 Å²	162	144.8 Å²	144.8	87%	0.866	79%	0.786	S	S	*	*			trans	-125.2	65.1	-180	-99.7	-13.1	0	0	0	112.6
1015	K	29.9	Very low	31.1	Very low	192 Å²	192	144.8 Å²	144.8	84%	0.835	78%	0.781	S	S	*	*	S	Bend	trans	-159.5	165.6	162.1	-101.4	149.5	-173.1	177.6	0	107.9
1016	N	30.2	Very low	31.7	Very low	171 Å²	171	142 Å²	142	91%	0.914	76%	0.763	S	S	*	*	S	Bend	trans	75.3	9.1	178	-48.7	-6.6	0	0	0	117.5
1017	G	28.9	Very low	32.5	Very low	75 Å²	75	140.3 Å²	140.3	77%	0.773	75%	0.75	S	S	*	*			trans	-95.5	-3	178.3	0	0	0	0	0	116.9
1018	A	30.4	Very low	33.4	Very low	85 Å²	85	139.3 Å²	139.3	70%	0.702	74%	0.743	S	S	*	*	S	Bend	trans	-110.8	-3.5	-156.2	0	0	0	0	0	117
1019	M	29.6	Very low	34.3	Very low	179 Å²	179	138.1 Å²	138.1	88%	0.882	73%	0.728	S	S	*	*	S	Bend	trans	-112.9	28.7	-165.5	-155.1	-176.9	173.3	0	0	115
1020	C	32.3	Very low	35.6	Very low	112 Å²	112	136 Å²	136	76%	0.757	72%	0.72	S	S	*	*	S	Bend	trans	-135.7	1.8	179.4	-77.7	0	0	0	0	115.3
1021	I	35.4	Very low	37.3	Very low	130 Å²	130	133.3 Å²	133.3	67%	0.667	71%	0.705	S	S	*	*	S	Bend	trans	-100.1	-32.7	-177.3	-64.6	178.7	0	0	0	111.9	L1023 Q1024	I1021-L1023 VanDerWaalsContact C-N 3.31Å; I1021-L1023 PolarHBondContact O-N 3.29Å; I1021-Q1024 PolarHBondContact O-N 2.93Å
1022	E	35	Very low	39	Very low	152 Å²	152	131 Å²	131	71%	0.71	69%	0.687	S	S	*	*	H	α-helix	trans	-65.7	-29.2	179.1	-72.9	173.9	126.4	0	0	113.5	Q1024 H1025 E1026	E1022-Q1024 PolarHBondContact O-N 3.08Å; E1022-H1025 PolarHBondContact O-N 3.32Å; E1022-E1026 PolarHBondContact O-N 3.07Å
1023	L	33.9	Very low	40.9	Very low	126 Å²	126	127.5 Å²	127.5	66%	0.66	67%	0.667	S	S	*	*	H	α-helix	trans	-65.6	-22.9	178.8	-118.3	77.1	0	0	0	114.1	I1021 Q1027	I1021-L1023 VanDerWaalsContact C-N 3.31Å; I1021-L1023 PolarHBondContact O-N 3.29Å; L1023-Q1027 WeakPolarHBondContact O-CG 3.46Å; L1023-Q1027 PolarHBondContact O-N 3.19Å
1024	Q	35.9	Very low	42.8	Very low	145 Å²	145	125.6 Å²	125.6	68%	0.678	65%	0.653	S	S	*	*	H	α-helix	trans	-76.6	-25.4	174.7	-65	-163.3	-93.8	0	0	112.3	I1021 E1022 Y1028	I1021-Q1024 PolarHBondContact O-N 2.93Å; E1022-Q1024 PolarHBondContact O-N 3.08Å; Q1024-Y1028 PolarHBondContact O-N 3.14Å
1025	H	37.4	Very low	45	Very low	141 Å²	141	122.2 Å²	122.2	65%	0.653	64%	0.635	S	S	*	*	H	α-helix	trans	-77.7	-39.7	178.1	-144.9	-78.2	0	0	0	111.3	E1022 Y1028 Y1029	E1022-H1025 PolarHBondContact O-N 3.32Å; H1025-Y1028 PolarHBondContact O-N 3.23Å; H1025-Y1029 PolarHBondContact O-N 3.29Å; H1025-Y1029 VanDerWaalsContact O-N 3.12Å
1026	E	42	Very low	47.2	Very low	117 Å²	117	116.7 Å²	116.7	55%	0.547	62%	0.62	S	S	.	*	H	α-helix	trans	-59.1	-47.5	170.7	-82.8	-64	129.4	0	0	112.3	E1022 Y1028 Y1029 I1030	E1022-E1026 PolarHBondContact O-N 3.07Å; E1026-Y1028 VanDerWaalsContact C-N 3.3Å; E1026-Y1028 PolarHBondContact O-N 3.04Å; E1026-Y1029 PolarHBondContact O-N 3.23Å; E1026-Y1029 VanDerWaalsContact O-N 3.08Å; E1026-I1030 WeakPolarHBondContact O-CG1 3.37Å; E1026-I1030 PolarHBondContact O-N 3.32Å
1027	Q	43.6	Very low	49.6	Very low	124 Å²	124	112.1 Å²	112.1	58%	0.579	60%	0.598	S	S	*	*	H	α-helix	trans	-60.9	-37.5	177.9	-76.1	-171	-8.7	0	0	112.7	L1023 Y1029 I1030 I1031	L1023-Q1027 WeakPolarHBondContact O-CG 3.46Å; L1023-Q1027 PolarHBondContact O-N 3.19Å; Q1027-Y1029 VanDerWaalsContact C-N 3.33Å; Q1027-Y1029 PolarHBondContact O-N 2.99Å; Q1027-I1030 PolarHBondContact O-N 3.35Å; Q1027-I1031 WeakPolarHBondContact O-CB 3.44Å; Q1027-I1031 WeakPolarHBondContact O-CD1 3.47Å; Q1027-I1031 VanDerWaalsContact O-CG1 3.24Å; Q1027-I1031 WeakPolarHBondContact O-CG1 3.24Å; Q1027-I1031 PolarHBondContact O-N 3.49Å
1028	Y	46.3	Very low	51.8	Low	154 Å²	154	113 Å²	113	60%	0.604	58%	0.583	S	S	*	*	H	α-helix	trans	-66.4	-34.8	175.3	-167.7	-105.8	0	0	0	112.5	Q1024 H1025 E1026 N1032	Q1024-Y1028 PolarHBondContact O-N 3.14Å; H1025-Y1028 PolarHBondContact O-N 3.23Å; E1026-Y1028 VanDerWaalsContact C-N 3.3Å; E1026-Y1028 PolarHBondContact O-N 3.04Å; Y1028-N1032 WeakPolarHBondContact CD1-ND2 3.46Å; Y1028-N1032 WeakPolarHBondContact CE1-ND2 3.34Å; Y1028-N1032 PolarHBondContact O-N 3.49Å; Y1028-N1032 VanDerWaalsContact O-N 3.13Å; Y1028-N1032 PolarHBondContact O-ND2 3.33Å
1029	Y	54	Low	54.1	Low	150 Å²	150	113.6 Å²	113.6	59%	0.588	57%	0.574	S	S	*	*	H	α-helix	trans	-70.2	-44.8	176.2	-148.1	-102.4	0	0	0	111.7	H1025 E1026 Q1027 I1031 N1032 I1033	H1025-Y1029 PolarHBondContact O-N 3.29Å; H1025-Y1029 VanDerWaalsContact O-N 3.12Å; E1026-Y1029 PolarHBondContact O-N 3.23Å; E1026-Y1029 VanDerWaalsContact O-N 3.08Å; Q1027-Y1029 VanDerWaalsContact C-N 3.33Å; Q1027-Y1029 PolarHBondContact O-N 2.99Å; Y1029-I1031 VanDerWaalsContact C-N 3.34Å; Y1029-I1031 PolarHBondContact O-N 2.96Å; Y1029-N1032 PolarHBondContact O-N 3.26Å; Y1029-I1033 HydrophobicContact CD1-CD1 3.64Å; Y1029-I1033 HydrophobicContact CD1-CG1 4.31Å; Y1029-I1033 HydrophobicContact CE1-CD1 3.84Å; Y1029-I1033 HydrophobicContact CE1-CG1 4.43Å; Y1029-I1033 WeakPolarHBondContact O-CG1 3.49Å; Y1029-I1033 PolarHBondContact O-N 3.23Å
1030	I	56.7	Low	56.5	Low	103 Å²	103	110 Å²	110	53%	0.528	56%	0.558	S	S	.	*	H	α-helix	trans	-60.9	-41	176.3	-66.8	165.6	0	0	0	111.4	E1026 Q1027 I1033 S1034	E1026-I1030 WeakPolarHBondContact O-CG1 3.37Å; E1026-I1030 PolarHBondContact O-N 3.32Å; Q1027-I1030 PolarHBondContact O-N 3.35Å; I1030-I1033 PolarHBondContact O-N 2.96Å; I1030-S1034 WeakPolarHBondContact O-CB 3.36Å; I1030-S1034 PolarHBondContact O-N 3.44Å
1031	I	65.2	Low	58.8	Low	96 Å²	96	109.7 Å²	109.7	49%	0.492	55%	0.547	S	S	.	.	H	α-helix	trans	-64.8	-44.1	176.2	-70.8	165.9	0	0	0	111.1	Q1027 Y1029 S1034 I1035	Q1027-I1031 WeakPolarHBondContact O-CB 3.44Å; Q1027-I1031 WeakPolarHBondContact O-CD1 3.47Å; Q1027-I1031 VanDerWaalsContact O-CG1 3.24Å; Q1027-I1031 WeakPolarHBondContact O-CG1 3.24Å; Q1027-I1031 PolarHBondContact O-N 3.49Å; Y1029-I1031 VanDerWaalsContact C-N 3.34Å; Y1029-I1031 PolarHBondContact O-N 2.96Å; I1031-S1034 WeakPolarHBondContact O-CB 3.42Å; I1031-S1034 PolarHBondContact O-N 3.45Å; I1031-I1035 HydrophobicContact CG2-CD1 3.85Å; I1031-I1035 WeakPolarHBondContact O-CG1 3.36Å; I1031-I1035 PolarHBondContact O-N 3.04Å
1032	N	64.1	Low	61	Low	62 Å²	62	111.1 Å²	111.1	33%	0.332	55%	0.546	S	S	.	.	H	α-helix	trans	-67	-36.3	177.7	-80.5	-51.6	0	0	0	113.1	Y1028 Y1029 I1035 S1036	Y1028-N1032 WeakPolarHBondContact CD1-ND2 3.46Å; Y1028-N1032 WeakPolarHBondContact CE1-ND2 3.34Å; Y1028-N1032 PolarHBondContact O-N 3.49Å; Y1028-N1032 VanDerWaalsContact O-N 3.13Å; Y1028-N1032 PolarHBondContact O-ND2 3.33Å; Y1029-N1032 PolarHBondContact O-N 3.26Å; N1032-I1035 PolarHBondContact O-N 2.89Å; N1032-S1036 WeakPolarHBondContact O-CB 3.37Å; N1032-S1036 PolarHBondContact O-N 3.32Å; N1032-S1036 PolarHBondContact O-OG 3.13Å
1033	I	69.7	Low	63.2	Low	92 Å²	92	109 Å²	109	47%	0.472	54%	0.539	S	S	.	.	H	α-helix	trans	-61.6	-46.8	171.3	-70.1	168.6	0	0	0	110.2	Y1029 I1030 I1035 S1036 V1037	Y1029-I1033 HydrophobicContact CD1-CD1 3.64Å; Y1029-I1033 HydrophobicContact CD1-CG1 4.31Å; Y1029-I1033 HydrophobicContact CE1-CD1 3.84Å; Y1029-I1033 HydrophobicContact CE1-CG1 4.43Å; Y1029-I1033 WeakPolarHBondContact O-CG1 3.49Å; Y1029-I1033 PolarHBondContact O-N 3.23Å; I1030-I1033 PolarHBondContact O-N 2.96Å; I1033-I1035 PolarHBondContact O-N 3.4Å; I1033-S1036 PolarHBondContact O-N 3.46Å; I1033-V1037 HydrophobicContact CG2-CG2 4.25Å; I1033-V1037 WeakPolarHBondContact O-CB 3.28Å; I1033-V1037 WeakPolarHBondContact O-CG2 3.5Å; I1033-V1037 PolarHBondContact O-N 2.89Å
1034	S	69.8	Low	65.4	Low	69 Å²	69	109.6 Å²	109.6	48%	0.483	54%	0.542	S	S	.	.	H	α-helix	trans	-58.4	-46.3	177.7	-174	0	0	0	0	112.3	I1030 I1031 S1036 V1037 M1038	I1030-S1034 WeakPolarHBondContact O-CB 3.36Å; I1030-S1034 PolarHBondContact O-N 3.44Å; I1031-S1034 WeakPolarHBondContact O-CB 3.42Å; I1031-S1034 PolarHBondContact O-N 3.45Å; S1034-S1036 PolarHBondContact O-N 3.12Å; S1034-V1037 PolarHBondContact O-N 3.01Å; S1034-M1038 WeakPolarHBondContact O-CB 3.36Å; S1034-M1038 WeakPolarHBondContact O-CG 3.46Å; S1034-M1038 PolarHBondContact O-N 2.93Å
1035	I	75.8	Confident	67.3	Low	92 Å²	92	105.2 Å²	105.2	47%	0.472	54%	0.536	S	S	.	.	H	α-helix	trans	-62.2	-44.6	176.2	-67.4	166.2	0	0	0	110.8	I1031 N1032 I1033 M1038 L1039	I1031-I1035 HydrophobicContact CG2-CD1 3.85Å; I1031-I1035 WeakPolarHBondContact O-CG1 3.36Å; I1031-I1035 PolarHBondContact O-N 3.04Å; N1032-I1035 PolarHBondContact O-N 2.89Å; I1033-I1035 PolarHBondContact O-N 3.4Å; I1035-M1038 PolarHBondContact O-N 2.92Å; I1035-L1039 WeakPolarHBondContact O-CB 3.32Å; I1035-L1039 PolarHBondContact O-N 3.37Å
1036	S	74.9	Confident	68.9	Low	75 Å²	75	106.5 Å²	106.5	52%	0.524	55%	0.546	S	S	.	.	H	α-helix	trans	-64.9	-41.7	-179.3	-58.5	0	0	0	0	111.9	N1032 I1033 S1034 L1039 L1040	N1032-S1036 WeakPolarHBondContact O-CB 3.37Å; N1032-S1036 PolarHBondContact O-N 3.32Å; N1032-S1036 PolarHBondContact O-OG 3.13Å; I1033-S1036 PolarHBondContact O-N 3.46Å; S1034-S1036 PolarHBondContact O-N 3.12Å; S1036-L1039 PolarHBondContact O-N 3.11Å; S1036-L1040 WeakPolarHBondContact O-CB 3.16Å; S1036-L1040 PolarHBondContact O-N 3.02Å
1037	V	80.1	Confident	70.2	Confident	75 Å²	75	106 Å²	106	46%	0.455	55%	0.546	S	S	.	.	H	α-helix	trans	-66.1	-43.2	176.1	170	0	0	0	0	111.3	I1033 S1034 L1039 L1040 I1041	I1033-V1037 HydrophobicContact CG2-CG2 4.25Å; I1033-V1037 WeakPolarHBondContact O-CB 3.28Å; I1033-V1037 WeakPolarHBondContact O-CG2 3.5Å; I1033-V1037 PolarHBondContact O-N 2.89Å; S1034-V1037 PolarHBondContact O-N 3.01Å; V1037-L1039 VanDerWaalsContact C-N 3.34Å; V1037-L1039 PolarHBondContact O-N 2.86Å; V1037-L1040 PolarHBondContact O-N 3.22Å; V1037-I1041 HydrophobicContact CG1-CD1 3.8Å; V1037-I1041 HydrophobicContact CG1-CG1 4.48Å; V1037-I1041 WeakPolarHBondContact O-CB 3.34Å; V1037-I1041 VanDerWaalsContact O-CG1 3.28Å; V1037-I1041 WeakPolarHBondContact O-CG1 3.46Å; V1037-I1041 PolarHBondContact O-N 2.92Å
1038	M	75.5	Confident	71.6	Confident	95 Å²	95	105 Å²	105	47%	0.468	54%	0.544	S	S	.	.	H	α-helix	trans	-61.1	-41.7	174.3	-73.8	-63.8	-151.3	0	0	112.1	S1034 I1035 I1041 Y1042	S1034-M1038 WeakPolarHBondContact O-CB 3.36Å; S1034-M1038 WeakPolarHBondContact O-CG 3.46Å; S1034-M1038 PolarHBondContact O-N 2.93Å; I1035-M1038 PolarHBondContact O-N 2.92Å; M1038-I1041 PolarHBondContact O-N 2.76Å; M1038-Y1042 WeakPolarHBondContact O-CB 3.32Å; M1038-Y1042 PolarHBondContact O-N 3.36Å
1039	L	79.9	Confident	73.1	Confident	97 Å²	97	102.3 Å²	102.3	51%	0.508	54%	0.54	S	S	.	.	H	α-helix	trans	-68.1	-36.5	178.8	-150.6	162.9	0	0	0	111.3	I1035 S1036 V1037 Y1042 L1043	I1035-L1039 WeakPolarHBondContact O-CB 3.32Å; I1035-L1039 PolarHBondContact O-N 3.37Å; S1036-L1039 PolarHBondContact O-N 3.11Å; V1037-L1039 VanDerWaalsContact C-N 3.34Å; V1037-L1039 PolarHBondContact O-N 2.86Å; L1039-Y1042 PolarHBondContact O-N 3.27Å; L1039-L1043 HydrophobicContact CD2-CD1 3.57Å; L1039-L1043 HydrophobicContact CD2-CG 4.02Å; L1039-L1043 WeakPolarHBondContact O-CB 3.39Å; L1039-L1043 WeakPolarHBondContact O-CG 3.49Å; L1039-L1043 PolarHBondContact O-N 3.38Å
1040	L	79.2	Confident	74.2	Confident	104 Å²	104	99.5 Å²	99.5	55%	0.545	54%	0.538	S	S	.	.	H	α-helix	trans	-69.1	-40.5	174.6	-144.9	168.7	0	0	0	111.7	S1036 V1037 L1043 L1044	S1036-L1040 WeakPolarHBondContact O-CB 3.16Å; S1036-L1040 PolarHBondContact O-N 3.02Å; V1037-L1040 PolarHBondContact O-N 3.22Å; L1040-L1043 PolarHBondContact O-N 3.41Å; L1040-L1044 HydrophobicContact CD2-CD1 3.52Å; L1040-L1044 HydrophobicContact CD2-CG 3.99Å; L1040-L1044 WeakPolarHBondContact O-CB 3.49Å; L1040-L1044 WeakPolarHBondContact O-CG 3.37Å; L1040-L1044 PolarHBondContact O-N 2.93Å
1041	I	80.2	Confident	75.3	Confident	104 Å²	104	99.3 Å²	99.3	53%	0.533	54%	0.538	S	S	.	.	H	α-helix	trans	-62.6	-42.4	172.2	-70	165.7	0	0	0	110.8	V1037 M1038 L1044 G1045	V1037-I1041 HydrophobicContact CG1-CD1 3.8Å; V1037-I1041 HydrophobicContact CG1-CG1 4.48Å; V1037-I1041 WeakPolarHBondContact O-CB 3.34Å; V1037-I1041 VanDerWaalsContact O-CG1 3.28Å; V1037-I1041 WeakPolarHBondContact O-CG1 3.46Å; V1037-I1041 PolarHBondContact O-N 2.92Å; M1038-I1041 PolarHBondContact O-N 2.76Å; I1041-L1044 CarbonylContact O-C 3.54Å; I1041-L1044 PolarHBondContact O-N 3.43Å; I1041-G1045 PolarHBondContact O-N 3.39Å
1042	Y	82.1	Confident	75.9	Confident	160 Å²	160	99.5 Å²	99.5	63%	0.627	54%	0.541	S	S	*	.	H	α-helix	trans	-62.3	-43.9	176.2	-175	-103.1	0	0	0	111.8	M1038 L1039 L1044 G1045 I1046	M1038-Y1042 WeakPolarHBondContact O-CB 3.32Å; M1038-Y1042 PolarHBondContact O-N 3.36Å; L1039-Y1042 PolarHBondContact O-N 3.27Å; Y1042-L1044 VanDerWaalsContact C-N 3.32Å; Y1042-L1044 PolarHBondContact O-N 2.93Å; Y1042-G1045 PolarHBondContact O-N 2.92Å; Y1042-G1045 VanDerWaalsContact O-N 3.11Å; Y1042-I1046 HydrophobicContact CD1-CD1 4.02Å; Y1042-I1046 HydrophobicContact CE1-CD1 3.66Å; Y1042-I1046 WeakPolarHBondContact O-CG1 3.37Å; Y1042-I1046 PolarHBondContact O-N 2.98Å
1043	L	81.2	Confident	76.8	Confident	108 Å²	108	102.1 Å²	102.1	57%	0.565	56%	0.556	S	S	*	*	H	α-helix	trans	-68.8	-23.5	175.7	-73.8	171.3	0	0	0	114.3	L1039 L1040	L1039-L1043 HydrophobicContact CD2-CD1 3.57Å; L1039-L1043 HydrophobicContact CD2-CG 4.02Å; L1039-L1043 WeakPolarHBondContact O-CB 3.39Å; L1039-L1043 WeakPolarHBondContact O-CG 3.49Å; L1039-L1043 PolarHBondContact O-N 3.38Å; L1040-L1043 PolarHBondContact O-N 3.41Å
1044	L	80.2	Confident	77.3	Confident	138 Å²	138	102.9 Å²	102.9	72%	0.723	56%	0.563	S	S	*	*	H	α-helix	trans	-87	-8.5	170.9	-71.8	170.3	0	0	0	113.2	L1040 I1041 Y1042	L1040-L1044 HydrophobicContact CD2-CD1 3.52Å; L1040-L1044 HydrophobicContact CD2-CG 3.99Å; L1040-L1044 WeakPolarHBondContact O-CB 3.49Å; L1040-L1044 WeakPolarHBondContact O-CG 3.37Å; L1040-L1044 PolarHBondContact O-N 2.93Å; I1041-L1044 CarbonylContact O-C 3.54Å; I1041-L1044 PolarHBondContact O-N 3.43Å; Y1042-L1044 VanDerWaalsContact C-N 3.32Å; Y1042-L1044 PolarHBondContact O-N 2.93Å
1045	G	76.3	Confident	78	Confident	54 Å²	54	105.8 Å²	105.8	56%	0.557	57%	0.569	S	S	*	*	H	α-helix	trans	-96.8	-8.7	177.1	0	0	0	0	0	114.7	I1041 Y1042	I1041-G1045 PolarHBondContact O-N 3.39Å; Y1042-G1045 PolarHBondContact O-N 2.92Å; Y1042-G1045 VanDerWaalsContact O-N 3.11Å
1046	I	70.2	Confident	78.2	Confident	167 Å²	167	107 Å²	107	86%	0.856	58%	0.578	S	S	*	*			trans	-89.3	0	174.3	-67.4	172.4	0	0	0	109.6	Y1042	Y1042-I1046 HydrophobicContact CD1-CD1 4.02Å; Y1042-I1046 HydrophobicContact CE1-CD1 3.66Å; Y1042-I1046 WeakPolarHBondContact O-CG1 3.37Å; Y1042-I1046 PolarHBondContact O-N 2.98Å

Retrieved 1,046 of 1,046 residues in 357 ms (Link to these results)

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