A0A077ZEW4_TRITR Loading...

Peptidase family M1

AlphaFold DB , UniProt , Accession A0A077ZEW4, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 960 aa.

						>A0A077ZEW4_TRITR|A0A077ZEW4
MLSDLPSIDVLEGRPDELPSRLPLRASPVGVSSLATQPSVAEQRLKLDTEDTYTISKKWAFILFTLIALLLLLSFVIPVIVYYSTQCSYFSTEGYLTGFTDSSYRFPRTVLPVLYYVDLKVFLPLAGAIFDPRLSFRFSGKVAIVLTCTIQTRHIILNSVGLKISLEQAELQETETRRAIQLTNVTYETSAQRLILEAEQPMEIGRNYTLTLAYTGAAARHPCSGVYRISYSESGQEKYFLAVQVGPAAARWWFPSMDEPDLSDGWKKTTFSHTKQLAPHLLAFVVGHLAYKEIPKSRSGKLRLWLRPSFIEASYQSLTTISAVLNALENYIGYDVVDAKLDVVGLPMYVATPRSQATNLIVLSEMDIIYGEKSVSGISLEKGTLNVGNALAQQWFGNLVTPKWWNSYWIGPSAACFLQLIIANLIVPQEESLVLLQSLLDERSFRSLFQEGEFITEIMQAALEWDALPSSVPLSGNVKVPSEALRNFSPQQYKKGAAILRMIYHVIGDTIFKQVLSSLVKKYAYASIDHVDWLNVLAEATDRLFTRPNQLSNVMGNATTIFRGWFDQPTYPLLTLVRQYEAGLAMFKQAPVTLLQQTDFAYRQWNVPIWYQQEPSSPVLKIWLKAGDEARTNVPKAPYNFVLAAAGAIGYYRVQYDEANWQLTNMQLQVQHELIDVKSRAQLLDDAFSLARSGKLNYHLALDMTKYLPQEMDITAWRVAARHIEYLDLMLSSTRYESDINRFALNAYEAVYHRLGFEPTDSAATKQGAYRIPMNLRPTVYCVSVAEAESSQQWSFLWKKFTEEDNINEQEALLRGLSCTKDIMLLNNLLDKALSDKEVKLTFTPLLYQCISNHPTGRAMLWDFTTRNWDRIIENFRDTVELDYMVRYATKAFKTVRTLETVQAFVTGGKNLASSKQVFIEQLQTIHENIFWTEHYLADVVRWIQNNVPGMHSIYKNKAE
					

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Loading PAE data...

(Predicted Aligned Error values between residue pairs)

Download Structure 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	20.5	Very low	27.7	Very low	117 Å²	117	42.6 Å²	42.6	58%	0.576	24%	0.235	S	C	*	.				0	-42.6	0	-82	-162.9	-176.7	0	0	115.8	D4	M1-D4 WeakPolarHBondContact CA-OD1 3.48Å; M1-D4 WeakPolarHBondContact CA-OD2 3.45Å; M1-D4 PolarHBondContact N-OD1 3.13Å; M1-D4 PolarHBondContact N-OD2 2.94Å
2	L	24.5	Very low	28	Very low	100 Å²	100	49.8 Å²	49.8	52%	0.524	27%	0.266	S	S	.	.			trans	-117.5	2.7	177.4	-69	172.7	0	0	0	113.8	D4 I378	L2-D4 PolarHBondContact N-OD1 2.73Å; L2-I378 HydrophobicContact CD1-CD1 3.9Å; L2-I378 HydrophobicContact CD2-CD1 4.25Å
3	S	25.1	Very low	27.6	Very low	32 Å²	32	50.3 Å²	50.3	22%	0.224	29%	0.29	C	S	.	.	S	Bend	trans	-99.2	7.3	174	43.7	0	0	0	0	112.1	L5	S3-L5 VanDerWaalsContact C-N 3.26Å; S3-L5 PolarHBondContact O-N 2.79Å
4	D	28.2	Very low	27.2	Very low	12 Å²	12	62.5 Å²	62.5	6%	0.064	33%	0.329	C	S	.	.			trans	-92.7	37.6	-150.1	-50.2	25	0	0	0	112.5	M1 L2 P6 Q849 N853	M1-D4 WeakPolarHBondContact CA-OD1 3.48Å; M1-D4 WeakPolarHBondContact CA-OD2 3.45Å; M1-D4 PolarHBondContact N-OD1 3.13Å; M1-D4 PolarHBondContact N-OD2 2.94Å; L2-D4 PolarHBondContact N-OD1 2.73Å; D4-P6 WeakPolarHBondContact O-CD 3.34Å; D4-Q849 PolarHBondContact O-NE2 3.41Å; D4-N853 PolarHBondContact OD2-ND2 2.85Å
5	L	25.8	Very low	27.3	Very low	102 Å²	102	66.7 Å²	66.7	53%	0.534	36%	0.361	S	S	.	.	S	Bend	trans	-74.1	117.6	163.3	-73.8	178.7	0	0	0	107.5	S3 S7	S3-L5 VanDerWaalsContact C-N 3.26Å; S3-L5 PolarHBondContact O-N 2.79Å; L5-S7 PolarHBondContact O-N 3.38Å; L5-S7 VanDerWaalsContact O-N 3.09Å
6	P	24.4	Very low	27.3	Very low	24 Å²	24	70.6 Å²	70.6	16%	0.156	38%	0.382	C	S	.	.			trans	-66.9	115.8	-167.5	23.3	-32.8	0	0	0	112.3	D4 I8 Q491 Y884 Y888	D4-P6 WeakPolarHBondContact O-CD 3.34Å; P6-I8 HydrophobicContact CB-CG1 4.47Å; P6-Q491 PolarHBondContact O-NE2 2.96Å; P6-Y884 HydrophobicContact CG-CD1 3.99Å; P6-Y884 HydrophobicContact CG-CE1 4.13Å; P6-Y888 HydrophobicContact CB-CE1 4.32Å; P6-Y888 WeakPolarHBondContact CD-OH 3.32Å; P6-Y888 HydrophobicContact CG-CE1 4.1Å
7	S	24.2	Very low	27.2	Very low	44 Å²	44	77.4 Å²	77.4	31%	0.308	41%	0.41	S	S	.	.			trans	-61.7	148.2	148.9	53.5	0	0	0	0	109.5	L5 E464	L5-S7 PolarHBondContact O-N 3.38Å; L5-S7 VanDerWaalsContact O-N 3.09Å; S7-E464 WeakPolarHBondContact CB-OE2 3.38Å
8	I	30.7	Very low	27.3	Very low	7 Å²	7	82.6 Å²	82.6	4%	0.036	44%	0.437	C	S	.	.			trans	-143.5	118.8	-162.4	-78.7	155.5	0	0	0	107.8	P6 V10 L468 Q491 R887	P6-I8 HydrophobicContact CB-CG1 4.47Å; I8-V10 HydrophobicContact CG2-CG2 4.38Å; I8-L468 WeakPolarHBondContact O-CD1 3.24Å; I8-Q491 HydrophobicContact CD1-CG 4.36Å; I8-R887 VanDerWaalsContact CD1-CZ 3.41Å
9	D	30.6	Very low	27.3	Very low	14 Å²	14	84.3 Å²	84.3	8%	0.075	45%	0.454	C	S	.	.			trans	-133.1	162.2	-176.2	-44.6	-69.7	0	0	0	113.5	L468 R692 T925	D9-L468 HydrophobicContact CB-CD2 4.07Å; D9-R692 IonicContact OD1-NH1 3.43Å; D9-R692 IonicContact OD2-CZ 3Å; D9-R692 IonicContact OD2-NH1 3.93Å; D9-R692 PolarHBondContact OD2-NH1 3.03Å; D9-R692 IonicContact OD2-NH2 3.17Å; D9-R692 PolarHBondContact OD2-NH2 3.44Å; D9-T925 HydrophobicContact CB-CG2 4.37Å; D9-T925 WeakPolarHBondContact O-CA 3.3Å; D9-T925 WeakPolarHBondContact O-CB 3.32Å; D9-T925 WeakPolarHBondContact O-CG2 3.23Å; D9-T925 PolarHBondContact O-N 3.29Å; D9-T925 PolarHBondContact O-OG1 3.43Å
10	V	34.3	Very low	27.1	Very low	0 Å²	0	85.3 Å²	85.3	0%	0	47%	0.467	C	S	.	.			trans	-172.3	105.3	-142.1	169.7	0	0	0	0	113.2	I8 L468 S470 E921 Q924 E928	I8-V10 HydrophobicContact CG2-CG2 4.38Å; V10-L468 HydrophobicContact CB-CB 3.83Å; V10-L468 HydrophobicContact CB-CD1 3.43Å; V10-L468 VanDerWaalsContact CB-CD1 3.43Å; V10-L468 HydrophobicContact CB-CD2 3.86Å; V10-L468 HydrophobicContact CB-CG 3.84Å; V10-L468 HydrophobicContact CG1-CB 4.02Å; V10-L468 HydrophobicContact CG1-CD1 4.16Å; V10-L468 HydrophobicContact CG2-CD1 3.25Å; V10-L468 HydrophobicContact CG2-CD2 4.45Å; V10-L468 HydrophobicContact CG2-CG 4.22Å; V10-S470 WeakPolarHBondContact CG1-OG 3.43Å; V10-E921 HydrophobicContact CG1-CG 4.34Å; V10-E921 HydrophobicContact CG2-CB 3.43Å; V10-E921 VanDerWaalsContact CG2-CB 3.43Å; V10-E921 HydrophobicContact CG2-CG 3.72Å; V10-E921 WeakPolarHBondContact CG2-O 3.47Å; V10-Q924 VanDerWaalsContact CA-C 3.46Å; V10-Q924 VanDerWaalsContact CA-CB 3.47Å; V10-Q924 HydrophobicContact CB-CB 3.88Å; V10-Q924 HydrophobicContact CG1-CB 3.52Å; V10-Q924 HydrophobicContact CG1-CG 4.16Å; V10-Q924 HydrophobicContact CG2-CB 4.5Å; V10-E928 WeakPolarHBondContact CA-OE1 3.46Å; V10-E928 PolarHBondContact N-OE1 3.19Å
11	L	36.9	Very low	27.1	Very low	17 Å²	17	92.3 Å²	92.3	9%	0.089	49%	0.487	C	S	.	.			trans	-137.5	146.3	146.3	-111.6	178.5	0	0	0	122.3	P469 L595 Q924 E928	L11-P469 HydrophobicContact CD1-CG 3.85Å; L11-P469 HydrophobicContact CD2-CB 3.8Å; L11-P469 HydrophobicContact CD2-CG 3.59Å; L11-P469 HydrophobicContact CG-CB 4.45Å; L11-P469 HydrophobicContact CG-CG 3.77Å; L11-L595 HydrophobicContact CB-CD1 3.69Å; L11-L595 HydrophobicContact CB-CG 4.19Å; L11-L595 HydrophobicContact CD1-CB 3.43Å; L11-L595 VanDerWaalsContact CD1-CB 3.43Å; L11-L595 HydrophobicContact CD1-CD1 3.66Å; L11-L595 HydrophobicContact CD1-CG 3.49Å; L11-L595 VanDerWaalsContact CD1-CG 3.49Å; L11-L595 HydrophobicContact CG-CD1 4.29Å; L11-L595 HydrophobicContact CG-CG 4.48Å; L11-Q924 VanDerWaalsContact C-CB 3.49Å; L11-Q924 VanDerWaalsContact C-CD 3.47Å; L11-Q924 VanDerWaalsContact CA-OE1 3.25Å; L11-Q924 PolarHBondContact N-O 3.21Å; L11-Q924 WeakPolarHBondContact O-CA 3.24Å; L11-Q924 WeakPolarHBondContact O-CG 3.4Å; L11-E928 HydrophobicContact CB-CG 4.37Å; L11-E928 PolarHBondContact N-OE1 3.31Å
12	E	31	Very low	27.6	Very low	129 Å²	129	94.9 Å²	94.9	60%	0.603	50%	0.502	S	S	*	.			trans	-70.8	159.6	-164.9	-155.2	154.3	-113.5	0	0	118.8	Q924	E12-Q924 VanDerWaalsContact CA-CD 3.42Å; E12-Q924 HydrophobicContact CB-CG 4.36Å; E12-Q924 VanDerWaalsContact CB-NE2 3.25Å; E12-Q924 VanDerWaalsContact CG-NE2 3.3Å; E12-Q924 VanDerWaalsContact N-OE1 3.16Å; E12-Q924 PolarHBondContact OE1-NE2 2.82Å
13	G	22.4	Very low	27.7	Very low	56 Å²	56	95.8 Å²	95.8	58%	0.577	51%	0.514	S	S	*	.			trans	-106.4	149.6	173.5	0	0	0	0	0	113.6
14	R	21.7	Very low	27.8	Very low	221 Å²	221	101.7 Å²	101.7	83%	0.834	54%	0.542	S	S	*	.			trans	-78.3	136.8	-178.2	-61.1	179.3	-175.3	171	1.9	112.7
15	P	29.9	Very low	27.6	Very low	126 Å²	126	112.8 Å²	112.8	82%	0.818	58%	0.583	S	S	*	*			trans	-90	107.5	151.1	32.6	-25	0	0	0	109.3
16	D	27.3	Very low	27.7	Very low	129 Å²	129	112.7 Å²	112.7	69%	0.69	60%	0.597	S	S	*	*			trans	-73.5	164.9	164.6	-73.5	-55	0	0	0	110.6
17	E	25.7	Very low	27.9	Very low	186 Å²	186	117 Å²	117	87%	0.869	63%	0.628	S	S	*	*			trans	64.6	94.8	176.2	-55.4	-163.9	165.4	0	0	118.3
18	L	28.9	Very low	28.2	Very low	171 Å²	171	121.1 Å²	121.1	90%	0.895	65%	0.653	S	S	*	*				-159.7	140.1	117.7	-100.8	164.3	0	0	0	109.3
19	P	26.4	Very low	28	Very low	115 Å²	115	127.4 Å²	127.4	75%	0.747	69%	0.692	S	S	*	*			trans	-90.7	165	-161.5	35.6	-36.4	0	0	0	115
20	S	24.3	Very low	27.7	Very low	104 Å²	104	130 Å²	130	73%	0.727	72%	0.722	S	S	*	*			trans	-56.2	143.1	176.1	58	0	0	0	0	115
21	R	26.7	Very low	27.4	Very low	232 Å²	232	136.8 Å²	136.8	88%	0.875	76%	0.763	S	S	*	*				163.9	125.9	122.3	-88	161.5	-173.6	-151.6	2.7	112.5
22	L	29.8	Very low	26.8	Very low	171 Å²	171	140.6 Å²	140.6	90%	0.895	79%	0.791	S	S	*	*				160.1	155.4	129.7	-82.8	168.4	0	0	0	109.9
23	P	28.4	Very low	26.5	Very low	119 Å²	119	139.5 Å²	139.5	77%	0.773	80%	0.798	S	S	*	*			trans	-109	174.1	-139.9	40.7	-37.3	0	0	0	117.2
24	L	25.5	Very low	26.8	Very low	157 Å²	157	145.7 Å²	145.7	82%	0.822	82%	0.816	S	S	*	*			trans	-66.5	146	176.8	-72.6	154.3	0	0	0	114.4
25	R	24.4	Very low	27	Very low	244 Å²	244	139 Å²	139	92%	0.921	81%	0.809	S	S	*	*			trans	52.2	117.1	150.8	-68.9	-179.4	172.4	177.8	-2	119.3
26	A	29	Very low	26.7	Very low	101 Å²	101	139.1 Å²	139.1	84%	0.835	81%	0.807	S	S	*	*			trans	-142.9	136.7	135.2	0	0	0	0	0	109.8
27	S	27.5	Very low	26.7	Very low	113 Å²	113	141.3 Å²	141.3	79%	0.79	81%	0.813	S	S	*	*			trans	-91.2	152.3	174.8	-61.4	0	0	0	0	110.7	V29	S27-V29 PolarHBondContact O-N 3.08Å
28	P	30.9	Very low	27.3	Very low	131 Å²	131	137.6 Å²	137.6	85%	0.851	81%	0.805	S	S	*	*			trans	-75.9	120	-177.2	29.7	-34.3	0	0	0	112.8
29	V	26.5	Very low	27.1	Very low	139 Å²	139	134.8 Å²	134.8	84%	0.842	80%	0.8	S	S	*	*			trans	-133.9	131.1	155.8	-177.6	0	0	0	0	104	S27	S27-V29 PolarHBondContact O-N 3.08Å
30	G	23.5	Very low	27.5	Very low	68 Å²	68	136 Å²	136	70%	0.701	81%	0.805	S	S	*	*			cis	122.9	81.9	21.7	0	0	0	0	0	106.9
31	V	29.6	Very low	27.7	Very low	144 Å²	144	135.5 Å²	135.5	87%	0.873	81%	0.807	S	S	*	*			trans	-123.8	120.4	-176.8	-177.8	0	0	0	0	108.8
32	S	23.3	Very low	28.1	Very low	97 Å²	97	132.7 Å²	132.7	68%	0.678	80%	0.804	S	S	*	*			trans	-94.2	164.4	176.2	59.3	0	0	0	0	111.8
33	S	24.2	Very low	28.1	Very low	105 Å²	105	133.2 Å²	133.2	73%	0.734	80%	0.802	S	S	*	*			trans	52.8	105.3	148.3	59.2	0	0	0	0	118.9
34	L	30	Very low	28	Very low	186 Å²	186	138.9 Å²	138.9	97%	0.974	81%	0.808	S	S	*	*			trans	-127.5	150.8	145.2	-96.6	167.6	0	0	0	108.8
35	A	25.5	Very low	28.5	Very low	82 Å²	82	139.3 Å²	139.3	68%	0.678	81%	0.81	S	S	*	*			trans	-132.4	145.1	-161.1	0	0	0	0	0	114
36	T	23.7	Very low	28.7	Very low	127 Å²	127	136.9 Å²	136.9	78%	0.779	81%	0.806	S	S	*	*			trans	39.1	143.3	145.5	58.6	0	0	0	0	122.6
37	Q	26.6	Very low	29.1	Very low	176 Å²	176	139.8 Å²	139.8	82%	0.822	81%	0.807	S	S	*	*			trans	96.4	152.5	156.2	-63.5	-145.3	0.2	0	0	118.4
38	P	38.8	Very low	29.3	Very low	107 Å²	107	141 Å²	141	70%	0.695	80%	0.804	S	S	*	*			cis	-135.4	-168.8	-28.5	34.3	-15	0	0	0	113.9
39	S	25.6	Very low	29.6	Very low	112 Å²	112	141.8 Å²	141.8	78%	0.783	81%	0.807	S	S	*	*			trans	-71.9	152.9	175.8	52.9	0	0	0	0	115.4
40	V	34.3	Very low	29.8	Very low	140 Å²	140	144.1 Å²	144.1	85%	0.848	81%	0.809	S	S	*	*			trans	-104.4	146.1	163.3	176.1	0	0	0	0	109.7
41	A	28.7	Very low	30.5	Very low	94 Å²	94	146.8 Å²	146.8	78%	0.777	81%	0.807	S	S	*	*			trans	-145.4	120.8	178.2	0	0	0	0	0	112.8
42	E	33.7	Very low	30.9	Very low	174 Å²	174	146 Å²	146	81%	0.813	80%	0.803	S	S	*	*			trans	-150.8	157.4	174	-74.8	-170.2	152.1	0	0	108.3
43	Q	30	Very low	32.1	Very low	181 Å²	181	150.4 Å²	150.4	85%	0.846	81%	0.806	S	S	*	*			cis	-154.7	-174.8	-39.3	-125.8	-170.4	44	0	0	106.8
44	R	27.5	Very low	33.2	Very low	238 Å²	238	151.9 Å²	151.9	90%	0.898	81%	0.811	S	S	*	*			trans	-87	144.1	-175.1	-62.3	173	179.2	160.4	-1.8	112.6
45	L	36.1	Very low	34.3	Very low	167 Å²	167	147.8 Å²	147.8	87%	0.874	79%	0.788	S	S	*	*			trans	-137.3	141	143.4	-144.4	78.7	0	0	0	110.6
46	K	28.4	Very low	36.3	Very low	193 Å²	193	147.2 Å²	147.2	84%	0.839	78%	0.78	S	S	*	*			trans	-111.7	147.1	161.4	-69.4	-175.5	175.1	-170	0	107.2
47	L	37	Very low	38.5	Very low	162 Å²	162	150.3 Å²	150.3	85%	0.848	78%	0.782	S	S	*	*			trans	-168	142.4	140.7	-109.5	156.1	0	0	0	110.2
48	D	31	Very low	40.9	Very low	138 Å²	138	149.9 Å²	149.9	74%	0.738	78%	0.778	S	S	*	*			trans	-81.9	144.2	174.6	-47.2	-87.4	0	0	0	110.4
49	T	36.8	Very low	42.5	Very low	148 Å²	148	152.9 Å²	152.9	91%	0.908	78%	0.775	S	S	*	*				-178.6	158.5	118.8	22.4	0	0	0	0	111.3
50	E	32.1	Very low	44.9	Very low	188 Å²	188	149.8 Å²	149.8	88%	0.879	76%	0.756	S	S	*	*			trans	-86.3	115.5	-178.9	-60.1	174.2	116.7	0	0	111.1
51	D	38.7	Very low	47.2	Very low	123 Å²	123	150 Å²	150	66%	0.658	75%	0.746	S	S	*	*			trans	-121.7	111.9	159.4	-109.5	-34.3	0	0	0	108.8	Y53	D51-Y53 VanDerWaalsContact C-N 3.3Å; D51-Y53 HydrophobicContact CB-CD2 4Å; D51-Y53 HydrophobicContact CB-CE2 3.52Å; D51-Y53 WeakPolarHBondContact O-CD2 3.32Å; D51-Y53 PolarHBondContact O-N 3.33Å
52	T	36.8	Very low	49.8	Very low	129 Å²	129	148.9 Å²	148.9	79%	0.791	73%	0.726	S	S	*	*			trans	-83.2	73.2	-175.5	41.7	0	0	0	0	111.2	T54	T52-T54 PolarHBondContact O-N 2.93Å
53	Y	47.7	Very low	52.2	Low	189 Å²	189	144.7 Å²	144.7	74%	0.741	71%	0.709	S	S	*	*			trans	-58.6	95.1	174.7	-74.6	-79.4	0	0	0	111.4	D51 I55	D51-Y53 VanDerWaalsContact C-N 3.3Å; D51-Y53 HydrophobicContact CB-CD2 4Å; D51-Y53 HydrophobicContact CB-CE2 3.52Å; D51-Y53 WeakPolarHBondContact O-CD2 3.32Å; D51-Y53 PolarHBondContact O-N 3.33Å; Y53-I55 PolarHBondContact O-N 3.25Å
54	T	48	Very low	54.9	Low	136 Å²	136	143.1 Å²	143.1	83%	0.834	70%	0.7	S	S	*	*			trans	-68.3	94.3	173.5	41.7	0	0	0	0	109.2	T52 S56	T52-T54 PolarHBondContact O-N 2.93Å; T54-S56 PolarHBondContact O-N 3.02Å
55	I	52.3	Low	57.7	Low	99 Å²	99	134.5 Å²	134.5	51%	0.508	67%	0.674	S	S	.	*			trans	-58.4	99.5	179.1	-59.2	-175.6	0	0	0	108.8	Y53 W59 A60 L63	Y53-I55 PolarHBondContact O-N 3.25Å; I55-W59 HydrophobicContact CG2-CB 3.55Å; I55-A60 HydrophobicContact CG2-CB 3.9Å; I55-A60 VanDerWaalsContact CG2-N 3.26Å; I55-L63 HydrophobicContact CD1-CD2 4.36Å
56	S	68.9	Low	60.2	Low	70 Å²	70	130.9 Å²	130.9	49%	0.49	65%	0.654	S	S	.	*			trans	-49.1	144	174.6	173.3	0	0	0	0	110.4	T54 K58 W59 A60	T54-S56 PolarHBondContact O-N 3.02Å; S56-K58 CarbonylContact O-C 3.53Å; S56-K58 PolarHBondContact O-N 3.39Å; S56-W59 WeakPolarHBondContact O-CA 3.45Å; S56-W59 PolarHBondContact O-N 2.71Å; S56-A60 PolarHBondContact O-N 3.29Å
57	K	70.1	Confident	63	Low	192 Å²	192	125.5 Å²	125.5	84%	0.835	63%	0.634	S	S	*	*	H	α-helix	trans	-50.6	-28.7	-175.7	-68.8	-174.7	177.2	-178.3	0	113.6	F61	K57-F61 WeakPolarHBondContact O-CB 3.41Å; K57-F61 PolarHBondContact O-N 2.69Å
58	K	75.9	Confident	65.4	Low	168 Å²	168	120 Å²	120	73%	0.73	61%	0.612	S	S	*	*	H	α-helix	trans	-64	-50.2	171.3	-67.1	-173.2	176.5	-175.8	0	112.8	S56 F61 I62	S56-K58 CarbonylContact O-C 3.53Å; S56-K58 PolarHBondContact O-N 3.39Å; K58-F61 PolarHBondContact O-N 2.82Å; K58-I62 WeakPolarHBondContact O-CG1 3.3Å; K58-I62 PolarHBondContact O-N 2.97Å
59	W	72	Confident	68.2	Low	170 Å²	170	118.2 Å²	118.2	64%	0.644	60%	0.602	S	S	*	*	H	α-helix	trans	-67.9	-33.7	176.6	-76.9	116.4	0	0	0	112.6	I55 S56 F61 I62 L63	I55-W59 HydrophobicContact CG2-CB 3.55Å; S56-W59 WeakPolarHBondContact O-CA 3.45Å; S56-W59 PolarHBondContact O-N 2.71Å; W59-F61 VanDerWaalsContact C-N 3.32Å; W59-I62 HydrophobicContact CD2-CD1 4.32Å; W59-I62 HydrophobicContact CE3-CB 4.32Å; W59-I62 HydrophobicContact CE3-CD1 3.88Å; W59-I62 HydrophobicContact CE3-CG2 4.22Å; W59-I62 HydrophobicContact CZ3-CD1 4.18Å; W59-I62 HydrophobicContact CZ3-CG2 4.32Å; W59-I62 PolarHBondContact O-N 2.97Å; W59-L63 WeakPolarHBondContact O-CB 3.23Å; W59-L63 PolarHBondContact O-N 3.07Å
60	A	77.5	Confident	70.7	Confident	46 Å²	46	116.6 Å²	116.6	38%	0.38	59%	0.587	S	S	.	*	H	α-helix	trans	-64.4	-40.5	174.6	0	0	0	0	0	110.9	I55 S56 F64	I55-A60 HydrophobicContact CG2-CB 3.9Å; I55-A60 VanDerWaalsContact CG2-N 3.26Å; S56-A60 PolarHBondContact O-N 3.29Å; A60-F64 WeakPolarHBondContact O-CB 3.48Å; A60-F64 PolarHBondContact O-N 2.96Å
61	F	82	Confident	73.4	Confident	146 Å²	146	112.7 Å²	112.7	64%	0.64	57%	0.572	S	S	*	*	H	α-helix	trans	-65	-45.4	173	-165.6	-89.3	0	0	0	111.9	K57 K58 W59 L63 F64 T65	K57-F61 WeakPolarHBondContact O-CB 3.41Å; K57-F61 PolarHBondContact O-N 2.69Å; K58-F61 PolarHBondContact O-N 2.82Å; W59-F61 VanDerWaalsContact C-N 3.32Å; F61-L63 PolarHBondContact O-N 2.84Å; F61-F64 PolarHBondContact O-N 3.41Å; F61-T65 HydrophobicContact CD1-CG2 3.94Å; F61-T65 HydrophobicContact CE1-CG2 3.63Å; F61-T65 HydrophobicContact CZ-CG2 4.23Å; F61-T65 WeakPolarHBondContact O-CG2 3.46Å; F61-T65 PolarHBondContact O-N 3Å; F61-T65 PolarHBondContact O-OG1 2.83Å; F61-T65 VanDerWaalsContact O-OG1 3.13Å
62	I	84	Confident	75.8	Confident	69 Å²	69	112 Å²	112	35%	0.354	57%	0.568	S	S	.	*	H	α-helix	trans	-57.3	-49	175.8	-69.3	163.5	0	0	0	110.8	K58 W59 F64 T65 L66	K58-I62 WeakPolarHBondContact O-CG1 3.3Å; K58-I62 PolarHBondContact O-N 2.97Å; W59-I62 HydrophobicContact CD2-CD1 4.32Å; W59-I62 HydrophobicContact CE3-CB 4.32Å; W59-I62 HydrophobicContact CE3-CD1 3.88Å; W59-I62 HydrophobicContact CE3-CG2 4.22Å; W59-I62 HydrophobicContact CZ3-CD1 4.18Å; W59-I62 HydrophobicContact CZ3-CG2 4.32Å; W59-I62 PolarHBondContact O-N 2.97Å; I62-F64 PolarHBondContact O-N 2.88Å; I62-T65 WeakPolarHBondContact CA-OG1 3.41Å; I62-T65 PolarHBondContact O-N 2.99Å; I62-T65 PolarHBondContact O-OG1 2.86Å; I62-L66 HydrophobicContact CG2-CD1 3.98Å; I62-L66 WeakPolarHBondContact O-CG 3.23Å; I62-L66 PolarHBondContact O-N 3.1Å
63	L	84.1	Confident	78.2	Confident	87 Å²	87	109.3 Å²	109.3	46%	0.455	55%	0.548	S	S	.	.	H	α-helix	trans	-61.9	-42.8	178.2	-173.2	66.6	0	0	0	111.6	I55 W59 F61 L66 I67	I55-L63 HydrophobicContact CD1-CD2 4.36Å; W59-L63 WeakPolarHBondContact O-CB 3.23Å; W59-L63 PolarHBondContact O-N 3.07Å; F61-L63 PolarHBondContact O-N 2.84Å; L63-L66 PolarHBondContact O-N 3.18Å; L63-I67 HydrophobicContact CG-CD1 4.05Å; L63-I67 VanDerWaalsContact O-CG1 3.31Å; L63-I67 WeakPolarHBondContact O-CG1 3.27Å; L63-I67 PolarHBondContact O-N 3.19Å
64	F	86.5	Confident	80	Confident	148 Å²	148	103.6 Å²	103.6	65%	0.649	54%	0.535	S	S	*	.	H	α-helix	trans	-63.9	-41.1	175.8	-166.1	-90.2	0	0	0	112	A60 F61 I62 I67 A68	A60-F64 WeakPolarHBondContact O-CB 3.48Å; A60-F64 PolarHBondContact O-N 2.96Å; F61-F64 PolarHBondContact O-N 3.41Å; I62-F64 PolarHBondContact O-N 2.88Å; F64-I67 PolarHBondContact O-N 3.28Å; F64-A68 WeakPolarHBondContact O-CB 3.49Å; F64-A68 PolarHBondContact O-N 2.85Å
65	T	85.4	Confident	81.8	Confident	57 Å²	57	104.8 Å²	104.8	35%	0.35	53%	0.529	S	S	.	.	H	α-helix	trans	-66.1	-35.8	174.2	52	0	0	0	0	112.8	F61 I62 A68 L69	F61-T65 HydrophobicContact CD1-CG2 3.94Å; F61-T65 HydrophobicContact CE1-CG2 3.63Å; F61-T65 HydrophobicContact CZ-CG2 4.23Å; F61-T65 WeakPolarHBondContact O-CG2 3.46Å; F61-T65 PolarHBondContact O-N 3Å; F61-T65 PolarHBondContact O-OG1 2.83Å; F61-T65 VanDerWaalsContact O-OG1 3.13Å; I62-T65 WeakPolarHBondContact CA-OG1 3.41Å; I62-T65 PolarHBondContact O-N 2.99Å; I62-T65 PolarHBondContact O-OG1 2.86Å; T65-A68 PolarHBondContact O-N 3.26Å; T65-L69 WeakPolarHBondContact O-CB 3.18Å; T65-L69 PolarHBondContact O-N 3.29Å
66	L	89.1	Confident	83.4	Confident	90 Å²	90	102.9 Å²	102.9	47%	0.471	52%	0.522	S	S	.	.	H	α-helix	trans	-67.1	-42.3	174.1	-77	166.4	0	0	0	111.9	I62 L63 L69 L70	I62-L66 HydrophobicContact CG2-CD1 3.98Å; I62-L66 WeakPolarHBondContact O-CG 3.23Å; I62-L66 PolarHBondContact O-N 3.1Å; L63-L66 PolarHBondContact O-N 3.18Å; L66-L69 PolarHBondContact O-N 2.86Å; L66-L70 WeakPolarHBondContact O-CB 3.5Å; L66-L70 WeakPolarHBondContact O-CG 3.42Å; L66-L70 PolarHBondContact O-N 2.86Å
67	I	88.1	Confident	84.2	Confident	81 Å²	81	104 Å²	104	42%	0.415	52%	0.522	S	S	.	.	H	α-helix	trans	-63.6	-42.6	174.5	-68.8	165.3	0	0	0	110.5	L63 F64 L69 L70 L71	L63-I67 HydrophobicContact CG-CD1 4.05Å; L63-I67 VanDerWaalsContact O-CG1 3.31Å; L63-I67 WeakPolarHBondContact O-CG1 3.27Å; L63-I67 PolarHBondContact O-N 3.19Å; F64-I67 PolarHBondContact O-N 3.28Å; I67-L69 PolarHBondContact O-N 3.05Å; I67-L70 PolarHBondContact O-N 2.96Å; I67-L71 HydrophobicContact CG2-CD1 3.98Å; I67-L71 HydrophobicContact CG2-CG 4.47Å; I67-L71 WeakPolarHBondContact O-CB 3.29Å; I67-L71 WeakPolarHBondContact O-CG 3.33Å; I67-L71 PolarHBondContact O-N 2.95Å
68	A	87.4	Confident	84.7	Confident	47 Å²	47	98.5 Å²	98.5	39%	0.388	51%	0.506	S	S	.	.	H	α-helix	trans	-63	-39.7	174.7	0	0	0	0	0	112.4	F64 T65 L71 L72	F64-A68 WeakPolarHBondContact O-CB 3.49Å; F64-A68 PolarHBondContact O-N 2.85Å; T65-A68 PolarHBondContact O-N 3.26Å; A68-L71 PolarHBondContact O-N 3.47Å; A68-L72 VanDerWaalsContact O-CB 3.28Å; A68-L72 WeakPolarHBondContact O-CB 3.5Å; A68-L72 PolarHBondContact O-N 3.3Å
69	L	89.8	Confident	85.1	Confident	99 Å²	99	93.8 Å²	93.8	52%	0.518	49%	0.491	S	S	.	.	H	α-helix	trans	-65.4	-41.6	174.5	-117.9	153.3	0	0	0	112	T65 L66 I67 L72 L73	T65-L69 WeakPolarHBondContact O-CB 3.18Å; T65-L69 PolarHBondContact O-N 3.29Å; L66-L69 PolarHBondContact O-N 2.86Å; I67-L69 PolarHBondContact O-N 3.05Å; L69-L72 PolarHBondContact O-N 3.49Å; L69-L73 HydrophobicContact CD2-CD1 4.21Å; L69-L73 HydrophobicContact CD2-CG 4.48Å; L69-L73 VanDerWaalsContact O-CB 3.32Å; L69-L73 WeakPolarHBondContact O-CB 3.4Å; L69-L73 VanDerWaalsContact O-CG 3.24Å; L69-L73 WeakPolarHBondContact O-CG 3.3Å; L69-L73 PolarHBondContact O-N 3.12Å
70	L	88.6	Confident	85.6	Confident	114 Å²	114	90.6 Å²	90.6	60%	0.597	49%	0.485	S	S	*	.	H	α-helix	trans	-65.5	-41.2	175.4	-76.8	165	0	0	0	112.1	L66 I67 L73 S74	L66-L70 WeakPolarHBondContact O-CB 3.5Å; L66-L70 WeakPolarHBondContact O-CG 3.42Å; L66-L70 PolarHBondContact O-N 2.86Å; I67-L70 PolarHBondContact O-N 2.96Å; L70-L73 PolarHBondContact O-N 3.49Å; L70-S74 WeakPolarHBondContact O-CB 3.38Å; L70-S74 PolarHBondContact O-N 2.92Å
71	L	88.8	Confident	85.8	Confident	107 Å²	107	92 Å²	92	56%	0.56	49%	0.489	S	S	*	.	H	α-helix	trans	-64.9	-43.1	174.2	-73.5	169.2	0	0	0	111.4	I67 A68 S74 F75	I67-L71 HydrophobicContact CG2-CD1 3.98Å; I67-L71 HydrophobicContact CG2-CG 4.47Å; I67-L71 WeakPolarHBondContact O-CB 3.29Å; I67-L71 WeakPolarHBondContact O-CG 3.33Å; I67-L71 PolarHBondContact O-N 2.95Å; A68-L71 PolarHBondContact O-N 3.47Å; L71-S74 WeakPolarHBondContact CA-OG 3.5Å; L71-S74 PolarHBondContact O-N 3.33Å; L71-S74 PolarHBondContact O-OG 3.1Å; L71-F75 PolarHBondContact O-N 3.47Å
72	L	88.8	Confident	85.7	Confident	108 Å²	108	91.4 Å²	91.4	57%	0.565	48%	0.483	S	S	*	.	H	α-helix	trans	-65	-41.3	176.4	-168.5	140.8	0	0	0	111.5	A68 L69 S74 F75 V76	A68-L72 VanDerWaalsContact O-CB 3.28Å; A68-L72 WeakPolarHBondContact O-CB 3.5Å; A68-L72 PolarHBondContact O-N 3.3Å; L69-L72 PolarHBondContact O-N 3.49Å; L72-S74 VanDerWaalsContact C-N 3.35Å; L72-S74 PolarHBondContact O-N 3.41Å; L72-F75 PolarHBondContact O-N 2.76Å; L72-V76 HydrophobicContact CD2-CG2 3.86Å; L72-V76 HydrophobicContact CG-CG2 4.37Å; L72-V76 WeakPolarHBondContact O-CB 3.39Å; L72-V76 VanDerWaalsContact O-CG2 3.29Å; L72-V76 WeakPolarHBondContact O-CG2 3.29Å; L72-V76 PolarHBondContact O-N 2.71Å
73	L	87.5	Confident	85.4	Confident	73 Å²	73	95.3 Å²	95.3	38%	0.382	50%	0.495	S	S	.	.	H	α-helix	trans	-62.1	-39.4	170.9	-75.9	165.3	0	0	0	112	L69 L70 F75 V76 I77	L69-L73 HydrophobicContact CD2-CD1 4.21Å; L69-L73 HydrophobicContact CD2-CG 4.48Å; L69-L73 VanDerWaalsContact O-CB 3.32Å; L69-L73 WeakPolarHBondContact O-CB 3.4Å; L69-L73 VanDerWaalsContact O-CG 3.24Å; L69-L73 WeakPolarHBondContact O-CG 3.3Å; L69-L73 PolarHBondContact O-N 3.12Å; L70-L73 PolarHBondContact O-N 3.49Å; L73-F75 PolarHBondContact O-N 2.74Å; L73-V76 PolarHBondContact O-N 3.25Å; L73-I77 HydrophobicContact CB-CD1 4.18Å; L73-I77 HydrophobicContact CD2-CD1 4.35Å; L73-I77 VanDerWaalsContact O-CB 3.29Å; L73-I77 WeakPolarHBondContact O-CB 3.43Å; L73-I77 VanDerWaalsContact O-CG1 3.26Å; L73-I77 WeakPolarHBondContact O-CG1 3.44Å; L73-I77 PolarHBondContact O-N 3.02Å
74	S	85.7	Confident	84.9	Confident	68 Å²	68	93.8 Å²	93.8	48%	0.476	49%	0.491	S	S	.	.	H	α-helix	trans	-66.5	-17.8	177.1	78.4	0	0	0	0	113.8	L70 L71 L72 P78	L70-S74 WeakPolarHBondContact O-CB 3.38Å; L70-S74 PolarHBondContact O-N 2.92Å; L71-S74 WeakPolarHBondContact CA-OG 3.5Å; L71-S74 PolarHBondContact O-N 3.33Å; L71-S74 PolarHBondContact O-OG 3.1Å; L72-S74 VanDerWaalsContact C-N 3.35Å; L72-S74 PolarHBondContact O-N 3.41Å; S74-P78 WeakPolarHBondContact O-CD 3.43Å; S74-P78 WeakPolarHBondContact O-CG 3.49Å
75	F	84.7	Confident	83.6	Confident	162 Å²	162	90.1 Å²	90.1	71%	0.711	48%	0.481	S	S	*	.	H	α-helix	trans	-94.7	-41.5	171.6	-126.7	-85.4	0	0	0	112.2	L71 L72 L73 V79	L71-F75 PolarHBondContact O-N 3.47Å; L72-F75 PolarHBondContact O-N 2.76Å; L73-F75 PolarHBondContact O-N 2.74Å; F75-V79 VanDerWaalsContact O-CG2 3.3Å; F75-V79 WeakPolarHBondContact O-CG2 3.48Å; F75-V79 PolarHBondContact O-N 3.14Å
76	V	85.9	Confident	82.1	Confident	59 Å²	59	91.9 Å²	91.9	36%	0.358	49%	0.485	S	S	.	.	H	α-helix	trans	-71.1	-37.9	-178.3	168.6	0	0	0	0	112.1	L72 L73 V79 I80	L72-V76 HydrophobicContact CD2-CG2 3.86Å; L72-V76 HydrophobicContact CG-CG2 4.37Å; L72-V76 WeakPolarHBondContact O-CB 3.39Å; L72-V76 VanDerWaalsContact O-CG2 3.29Å; L72-V76 WeakPolarHBondContact O-CG2 3.29Å; L72-V76 PolarHBondContact O-N 2.71Å; L73-V76 PolarHBondContact O-N 3.25Å; V76-V79 PolarHBondContact O-N 2.95Å; V76-I80 HydrophobicContact CG1-CD1 3.57Å; V76-I80 HydrophobicContact CG1-CG1 4.11Å; V76-I80 WeakPolarHBondContact O-CB 3.18Å; V76-I80 WeakPolarHBondContact O-CG1 3.17Å; V76-I80 PolarHBondContact O-N 3.47Å
77	I	86.2	Confident	79.9	Confident	94 Å²	94	91.7 Å²	91.7	48%	0.482	49%	0.491	S	S	.	.	H	α-helix	trans	-64.3	-49.4	-179.8	-68.3	167	0	0	0	111.5	L73 V79 I80 V81	L73-I77 HydrophobicContact CB-CD1 4.18Å; L73-I77 HydrophobicContact CD2-CD1 4.35Å; L73-I77 VanDerWaalsContact O-CB 3.29Å; L73-I77 WeakPolarHBondContact O-CB 3.43Å; L73-I77 VanDerWaalsContact O-CG1 3.26Å; L73-I77 WeakPolarHBondContact O-CG1 3.44Å; L73-I77 PolarHBondContact O-N 3.02Å; I77-V79 VanDerWaalsContact C-N 3.28Å; I77-V79 PolarHBondContact O-N 2.84Å; I77-I80 PolarHBondContact O-N 2.99Å; I77-V81 HydrophobicContact CG2-CG2 4.34Å; I77-V81 WeakPolarHBondContact O-CB 3.15Å; I77-V81 VanDerWaalsContact O-CG2 3.32Å; I77-V81 WeakPolarHBondContact O-CG2 3.38Å; I77-V81 PolarHBondContact O-N 3.44Å
78	P	81.2	Confident	77.7	Confident	76 Å²	76	91.3 Å²	91.3	49%	0.494	50%	0.495	S	S	.	.	H	α-helix	trans	-59.5	-34.6	173	-27.7	37.3	0	0	0	113.8	S74 V81 Y82	S74-P78 WeakPolarHBondContact O-CD 3.43Å; S74-P78 WeakPolarHBondContact O-CG 3.49Å; P78-V81 PolarHBondContact O-N 2.93Å; P78-Y82 VanDerWaalsContact O-CB 3.28Å; P78-Y82 WeakPolarHBondContact O-CB 3.46Å; P78-Y82 PolarHBondContact O-N 2.73Å
79	V	84.9	Confident	75.2	Confident	68 Å²	68	98.7 Å²	98.7	41%	0.412	51%	0.514	S	S	.	.	H	α-helix	trans	-69.1	-42.3	175.6	170.3	0	0	0	0	111.4	F75 V76 I77 Y82 Y83	F75-V79 VanDerWaalsContact O-CG2 3.3Å; F75-V79 WeakPolarHBondContact O-CG2 3.48Å; F75-V79 PolarHBondContact O-N 3.14Å; V76-V79 PolarHBondContact O-N 2.95Å; I77-V79 VanDerWaalsContact C-N 3.28Å; I77-V79 PolarHBondContact O-N 2.84Å; V79-Y82 PolarHBondContact O-N 3.02Å; V79-Y83 HydrophobicContact CG1-CD2 3.7Å; V79-Y83 HydrophobicContact CG1-CE2 3.68Å; V79-Y83 VanDerWaalsContact O-CD2 3.25Å; V79-Y83 WeakPolarHBondContact O-CD2 3.17Å; V79-Y83 PolarHBondContact O-N 3.03Å
80	I	82.2	Confident	72.7	Confident	104 Å²	104	101.5 Å²	101.5	53%	0.533	52%	0.523	S	S	.	.	H	α-helix	trans	-63.8	-41.2	173.3	-70.8	172.8	0	0	0	110.7	V76 I77 Y83 S84	V76-I80 HydrophobicContact CG1-CD1 3.57Å; V76-I80 HydrophobicContact CG1-CG1 4.11Å; V76-I80 WeakPolarHBondContact O-CB 3.18Å; V76-I80 WeakPolarHBondContact O-CG1 3.17Å; V76-I80 PolarHBondContact O-N 3.47Å; I77-I80 PolarHBondContact O-N 2.99Å; I80-Y83 PolarHBondContact O-N 3.24Å; I80-S84 VanDerWaalsContact O-CB 3.23Å; I80-S84 WeakPolarHBondContact O-CB 3.08Å; I80-S84 PolarHBondContact O-N 2.68Å; I80-S84 PolarHBondContact O-OG 3.46Å; I80-S84 VanDerWaalsContact O-OG 3.13Å
81	V	80.3	Confident	70.1	Confident	74 Å²	74	99.3 Å²	99.3	45%	0.448	52%	0.516	S	S	.	.	H	α-helix	trans	-67.1	-37.2	175.9	171	0	0	0	0	111.6	I77 P78 S84 T85	I77-V81 HydrophobicContact CG2-CG2 4.34Å; I77-V81 WeakPolarHBondContact O-CB 3.15Å; I77-V81 VanDerWaalsContact O-CG2 3.32Å; I77-V81 WeakPolarHBondContact O-CG2 3.38Å; I77-V81 PolarHBondContact O-N 3.44Å; P78-V81 PolarHBondContact O-N 2.93Å; V81-S84 WeakPolarHBondContact CA-OG 3.37Å; V81-S84 PolarHBondContact O-OG 2.85Å; V81-T85 HydrophobicContact CG1-CG2 4.34Å; V81-T85 VanDerWaalsContact O-CB 3.32Å; V81-T85 WeakPolarHBondContact O-CB 3.36Å; V81-T85 VanDerWaalsContact O-CG2 3.3Å; V81-T85 WeakPolarHBondContact O-CG2 3.4Å; V81-T85 PolarHBondContact O-N 2.87Å; V81-T85 PolarHBondContact O-OG1 2.84Å
82	Y	81.1	Confident	67.3	Low	135 Å²	135	99.7 Å²	99.7	53%	0.529	52%	0.523	S	S	.	.	H	α-helix	trans	-64.2	-51	173.1	179.3	-97.8	0	0	0	111.1	P78 V79 S84 T85 Q86	P78-Y82 VanDerWaalsContact O-CB 3.28Å; P78-Y82 WeakPolarHBondContact O-CB 3.46Å; P78-Y82 PolarHBondContact O-N 2.73Å; V79-Y82 PolarHBondContact O-N 3.02Å; Y82-S84 PolarHBondContact O-N 3.37Å; Y82-T85 PolarHBondContact O-N 2.97Å; Y82-T85 PolarHBondContact O-OG1 3.1Å; Y82-T85 VanDerWaalsContact O-OG1 3.07Å; Y82-Q86 HydrophobicContact CD1-CG 4.37Å; Y82-Q86 HydrophobicContact CE1-CG 4.05Å; Y82-Q86 HydrophobicContact CE2-CG 4.32Å; Y82-Q86 WeakPolarHBondContact O-CB 3.36Å; Y82-Q86 VanDerWaalsContact O-CG 3.24Å; Y82-Q86 WeakPolarHBondContact O-CG 3.45Å; Y82-Q86 PolarHBondContact O-N 2.62Å
83	Y	76.8	Confident	64.7	Low	151 Å²	151	103 Å²	103	59%	0.592	54%	0.536	S	S	*	.	H	α-helix	trans	-66.3	-34.9	177.5	-77.9	-64.2	0	0	0	113.1	V79 I80 C87	V79-Y83 HydrophobicContact CG1-CD2 3.7Å; V79-Y83 HydrophobicContact CG1-CE2 3.68Å; V79-Y83 VanDerWaalsContact O-CD2 3.25Å; V79-Y83 WeakPolarHBondContact O-CD2 3.17Å; V79-Y83 PolarHBondContact O-N 3.03Å; I80-Y83 PolarHBondContact O-N 3.24Å; Y83-C87 WeakPolarHBondContact O-CB 3.33Å; Y83-C87 PolarHBondContact O-N 2.9Å; Y83-C87 PolarHBondContact O-SG 2.88Å
84	S	73.2	Confident	62	Low	55 Å²	55	102.4 Å²	102.4	39%	0.385	55%	0.548	S	S	.	.	H	α-helix	trans	-73.8	-36.3	177.1	73.8	0	0	0	0	112.6	I80 V81 Y82 C87 S88	I80-S84 VanDerWaalsContact O-CB 3.23Å; I80-S84 WeakPolarHBondContact O-CB 3.08Å; I80-S84 PolarHBondContact O-N 2.68Å; I80-S84 PolarHBondContact O-OG 3.46Å; I80-S84 VanDerWaalsContact O-OG 3.13Å; V81-S84 WeakPolarHBondContact CA-OG 3.37Å; V81-S84 PolarHBondContact O-OG 2.85Å; Y82-S84 PolarHBondContact O-N 3.37Å; S84-C87 PolarHBondContact O-N 2.8Å; S84-S88 VanDerWaalsContact O-CB 3.3Å; S84-S88 WeakPolarHBondContact O-CB 3.37Å; S84-S88 PolarHBondContact O-N 2.82Å; S84-S88 PolarHBondContact O-OG 2.85Å
85	T	59.9	Low	59.5	Low	71 Å²	71	105.3 Å²	105.3	44%	0.436	55%	0.549	S	S	.	.	H	α-helix	trans	-69	-39.1	171.7	50.6	0	0	0	0	112.2	V81 Y82 S88 Y89	V81-T85 HydrophobicContact CG1-CG2 4.34Å; V81-T85 VanDerWaalsContact O-CB 3.32Å; V81-T85 WeakPolarHBondContact O-CB 3.36Å; V81-T85 VanDerWaalsContact O-CG2 3.3Å; V81-T85 WeakPolarHBondContact O-CG2 3.4Å; V81-T85 PolarHBondContact O-N 2.87Å; V81-T85 PolarHBondContact O-OG1 2.84Å; Y82-T85 PolarHBondContact O-N 2.97Å; Y82-T85 PolarHBondContact O-OG1 3.1Å; Y82-T85 VanDerWaalsContact O-OG1 3.07Å; T85-S88 PolarHBondContact O-N 2.89Å; T85-Y89 WeakPolarHBondContact O-CB 3.26Å; T85-Y89 PolarHBondContact O-N 2.93Å
86	Q	53.6	Low	57	Low	94 Å²	94	103.5 Å²	103.5	44%	0.439	55%	0.546	S	S	.	.	H	α-helix	trans	-60.1	-47	169.7	-70.9	-66.1	-40.8	0	0	111.2	Y82 S88 Y89 F90	Y82-Q86 HydrophobicContact CD1-CG 4.37Å; Y82-Q86 HydrophobicContact CE1-CG 4.05Å; Y82-Q86 HydrophobicContact CE2-CG 4.32Å; Y82-Q86 WeakPolarHBondContact O-CB 3.36Å; Y82-Q86 VanDerWaalsContact O-CG 3.24Å; Y82-Q86 WeakPolarHBondContact O-CG 3.45Å; Y82-Q86 PolarHBondContact O-N 2.62Å; Q86-S88 VanDerWaalsContact C-N 3.26Å; Q86-S88 PolarHBondContact O-N 3Å; Q86-Y89 PolarHBondContact O-N 2.86Å; Q86-F90 WeakPolarHBondContact O-CB 3.31Å; Q86-F90 PolarHBondContact O-N 2.83Å
87	C	43.7	Very low	54.7	Low	86 Å²	86	107.3 Å²	107.3	58%	0.581	57%	0.57	S	S	*	*	H	α-helix	trans	-62.2	-32.1	174.4	-68.2	0	0	0	0	113	Y83 S84 S91	Y83-C87 WeakPolarHBondContact O-CB 3.33Å; Y83-C87 PolarHBondContact O-N 2.9Å; Y83-C87 PolarHBondContact O-SG 2.88Å; S84-C87 PolarHBondContact O-N 2.8Å; C87-S91 WeakPolarHBondContact O-CB 3.33Å; C87-S91 PolarHBondContact O-N 3.45Å; C87-S91 PolarHBondContact O-OG 2.81Å
88	S	42.1	Very low	52.3	Low	72 Å²	72	105.2 Å²	105.2	50%	0.503	57%	0.571	S	S	.	*	H	α-helix	trans	-77	-30.6	178.4	-56.9	0	0	0	0	112.5	S84 T85 Q86 S91	S84-S88 VanDerWaalsContact O-CB 3.3Å; S84-S88 WeakPolarHBondContact O-CB 3.37Å; S84-S88 PolarHBondContact O-N 2.82Å; S84-S88 PolarHBondContact O-OG 2.85Å; T85-S88 PolarHBondContact O-N 2.89Å; Q86-S88 VanDerWaalsContact C-N 3.26Å; Q86-S88 PolarHBondContact O-N 3Å; S88-S91 WeakPolarHBondContact CA-OG 3.38Å; S88-S91 PolarHBondContact O-OG 3.29Å
89	Y	34.3	Very low	50.4	Low	203 Å²	203	106.3 Å²	106.3	80%	0.796	57%	0.568	S	S	*	*	H	α-helix	trans	-81.7	-23.2	174.8	-131.6	-88.6	0	0	0	112.7	T85 Q86 T92	T85-Y89 WeakPolarHBondContact O-CB 3.26Å; T85-Y89 PolarHBondContact O-N 2.93Å; Q86-Y89 PolarHBondContact O-N 2.86Å; Y89-T92 PolarHBondContact O-OG1 3.36Å
90	F	36.7	Very low	48.1	Very low	158 Å²	158	109.4 Å²	109.4	69%	0.693	59%	0.588	S	S	*	*	T	Hydrogen-bonded Turn	trans	-93.2	10.9	176	-136.5	-87.3	0	0	0	113.7	Q86	Q86-F90 WeakPolarHBondContact O-CB 3.31Å; Q86-F90 PolarHBondContact O-N 2.83Å
91	S	35	Very low	46.3	Very low	67 Å²	67	108.7 Å²	108.7	47%	0.469	59%	0.585	S	S	.	*	S	Bend	trans	-123.5	8	179.7	50.3	0	0	0	0	114.4	C87 S88	C87-S91 WeakPolarHBondContact O-CB 3.33Å; C87-S91 PolarHBondContact O-N 3.45Å; C87-S91 PolarHBondContact O-OG 2.81Å; S88-S91 WeakPolarHBondContact CA-OG 3.38Å; S88-S91 PolarHBondContact O-OG 3.29Å
92	T	30.5	Very low	44.7	Very low	115 Å²	115	110.2 Å²	110.2	71%	0.706	60%	0.599	S	S	*	*	S	Bend	trans	-90.1	-11.7	174.5	42.8	0	0	0	0	114.3	Y89 G94	Y89-T92 PolarHBondContact O-OG1 3.36Å; T92-G94 PolarHBondContact O-N 3.33Å
93	E	32.6	Very low	43.3	Very low	177 Å²	177	105.9 Å²	105.9	83%	0.827	59%	0.588	S	S	*	*	S	Bend	trans	-81.8	105	149.3	-70.9	-160.4	163.2	0	0	107.8	Y95	E93-Y95 PolarHBondContact O-N 3.2Å; E93-Y95 VanDerWaalsContact O-N 3.13Å
94	G	30.7	Very low	42.4	Very low	62 Å²	62	103.7 Å²	103.7	64%	0.639	58%	0.58	S	S	*	*			trans	-69.6	108.3	-169	0	0	0	0	0	113	T92 L96	T92-G94 PolarHBondContact O-N 3.33Å; G94-L96 PolarHBondContact O-N 3.12Å
95	Y	33	Very low	41.8	Very low	129 Å²	129	108 Å²	108	51%	0.506	59%	0.588	S	S	.	*			trans	-52.5	121.4	162.5	-70.2	-98.4	0	0	0	109.3	E93 T97	E93-Y95 PolarHBondContact O-N 3.2Å; E93-Y95 VanDerWaalsContact O-N 3.13Å; Y95-T97 PolarHBondContact O-N 3.19Å
96	L	33.1	Very low	42	Very low	123 Å²	123	107.1 Å²	107.1	64%	0.644	58%	0.578	S	S	*	*			trans	-74.4	66.1	176.4	-70	172.4	0	0	0	111.1	G94 G98 F99	G94-L96 PolarHBondContact O-N 3.12Å; L96-G98 PolarHBondContact O-N 3.12Å; L96-F99 HydrophobicContact CB-CD2 4.37Å; L96-F99 HydrophobicContact CB-CE2 4.08Å; L96-F99 HydrophobicContact CD1-CE2 4.41Å; L96-F99 HydrophobicContact CD1-CZ 4.36Å
97	T	36.7	Very low	42.7	Very low	140 Å²	140	103.5 Å²	103.5	86%	0.859	56%	0.562	S	S	*	*			trans	-73.3	0.1	179.5	52.1	0	0	0	0	114	Y95	Y95-T97 PolarHBondContact O-N 3.19Å
98	G	36.3	Very low	44.1	Very low	49 Å²	49	108.6 Å²	108.6	51%	0.505	57%	0.569	S	S	.	*			trans	-133.5	93.9	169.4	0	0	0	0	0	110.7	L96 T100	L96-G98 PolarHBondContact O-N 3.12Å; G98-T100 PolarHBondContact O-N 3.11Å
99	F	41.7	Very low	46	Very low	99 Å²	99	105.8 Å²	105.8	43%	0.434	55%	0.549	S	S	.	.			trans	-76	66.5	171.9	-107	-84.1	0	0	0	111.1	L96 D101 P107 T109	L96-F99 HydrophobicContact CB-CD2 4.37Å; L96-F99 HydrophobicContact CB-CE2 4.08Å; L96-F99 HydrophobicContact CD1-CE2 4.41Å; L96-F99 HydrophobicContact CD1-CZ 4.36Å; F99-D101 VanDerWaalsContact C-N 3.26Å; F99-D101 HydrophobicContact CD1-CB 4.49Å; F99-P107 HydrophobicContact CE1-CB 3.95Å; F99-P107 HydrophobicContact CE1-CG 3.89Å; F99-P107 HydrophobicContact CZ-CB 4.1Å; F99-P107 HydrophobicContact CZ-CG 4.44Å; F99-T109 HydrophobicContact CZ-CG2 4.08Å
100	T	36.9	Very low	48.5	Very low	134 Å²	134	96.2 Å²	96.2	82%	0.822	51%	0.512	S	S	*	.			trans	-94.7	35.2	165.5	51	0	0	0	0	111.3	G98 S102	G98-T100 PolarHBondContact O-N 3.11Å; T100-S102 PolarHBondContact O-N 3.16Å
101	D	43	Very low	50.6	Low	89 Å²	89	91.3 Å²	91.3	48%	0.476	49%	0.493	S	S	.	.			trans	-63.4	109.3	168.1	-177.4	15.7	0	0	0	109.1	F99 S103	F99-D101 VanDerWaalsContact C-N 3.26Å; F99-D101 HydrophobicContact CD1-CB 4.49Å; D101-S103 PolarHBondContact O-N 2.62Å; D101-S103 VanDerWaalsContact O-N 3.12Å; D101-S103 VanDerWaalsContact OD1-CB 3.26Å; D101-S103 WeakPolarHBondContact OD1-CB 3.41Å; D101-S103 PolarHBondContact OD1-N 3.33Å; D101-S103 VanDerWaalsContact OD2-CB 3.26Å; D101-S103 WeakPolarHBondContact OD2-CB 3.29Å; D101-S103 PolarHBondContact OD2-OG 2.95Å
102	S	47.1	Very low	53	Low	105 Å²	105	90 Å²	90	73%	0.734	48%	0.483	S	S	*	.	S	Bend	trans	-61.1	-13.5	173	66.2	0	0	0	0	113.4	T100 Y104	T100-S102 PolarHBondContact O-N 3.16Å; S102-Y104 PolarHBondContact O-N 3.47Å
103	S	52	Low	55.3	Low	44 Å²	44	89.2 Å²	89.2	31%	0.308	48%	0.477	S	S	.	.			trans	-78.5	107.7	165	119.3	0	0	0	0	109.8	D101 R105	D101-S103 PolarHBondContact O-N 2.62Å; D101-S103 VanDerWaalsContact O-N 3.12Å; D101-S103 VanDerWaalsContact OD1-CB 3.26Å; D101-S103 WeakPolarHBondContact OD1-CB 3.41Å; D101-S103 PolarHBondContact OD1-N 3.33Å; D101-S103 VanDerWaalsContact OD2-CB 3.26Å; D101-S103 WeakPolarHBondContact OD2-CB 3.29Å; D101-S103 PolarHBondContact OD2-OG 2.95Å; S103-R105 PolarHBondContact O-N 3.12Å
104	Y	58.2	Low	57.2	Low	105 Å²	105	83.9 Å²	83.9	41%	0.412	45%	0.454	S	S	.	.			trans	-72.2	20.6	169.4	-64.9	-94.4	0	0	0	113.2	S102 R193 K479 V480	S102-Y104 PolarHBondContact O-N 3.47Å; Y104-R193 PolarHBondContact O-NH2 2.92Å; Y104-K479 HydrophobicContact CD2-CB 3.97Å; Y104-V480 VanDerWaalsContact CB-CG1 3.48Å; Y104-V480 HydrophobicContact CD1-CG1 3.19Å; Y104-V480 HydrophobicContact CD2-CG1 3.76Å; Y104-V480 HydrophobicContact CE1-CG1 3.65Å; Y104-V480 HydrophobicContact CE2-CG1 4.16Å; Y104-V480 HydrophobicContact CG-CG1 3.22Å
105	R	59.6	Low	59.2	Low	147 Å²	147	81 Å²	81	56%	0.555	42%	0.424	S	S	*	.	S	Bend	trans	-65.2	159.7	171.1	-66.6	-174.4	169.4	-134.6	-7.4	109.4	S103 P107 R193	S103-R105 PolarHBondContact O-N 3.12Å; R105-P107 WeakPolarHBondContact O-CD 3.36Å; R105-R193 PolarHBondContact O-NH2 3.22Å
106	F	64.4	Low	61.4	Low	52 Å²	52	77.4 Å²	77.4	23%	0.228	41%	0.41	C	S	.	.	P	Polyproline II helix	trans	-71	123.3	175.4	-170	-83.8	0	0	0	109.7	R108 I156 M257	F106-R108 PolarHBondContact O-N 3.2Å; F106-I156 HydrophobicContact CE2-CB 4.39Å; F106-I156 HydrophobicContact CE2-CG2 4.24Å; F106-I156 WeakPolarHBondContact CE2-O 3.23Å; F106-I156 WeakPolarHBondContact CZ-O 3.38Å; F106-M257 HydrophobicContact CE1-CB 4.41Å; F106-M257 HydrophobicContact CE1-CG 4.4Å; F106-M257 HydrophobicContact CE1-SD 3.94Å; F106-M257 HydrophobicContact CE2-CB 3.99Å; F106-M257 HydrophobicContact CE2-CG 3.98Å; F106-M257 HydrophobicContact CE2-SD 4.5Å; F106-M257 HydrophobicContact CZ-CB 3.75Å; F106-M257 HydrophobicContact CZ-CE 4.02Å; F106-M257 HydrophobicContact CZ-CG 3.51Å; F106-M257 HydrophobicContact CZ-SD 3.48Å; F106-M257 WeakPolarHBondContact CZ-SD 3.46Å
107	P	69.3	Low	63.5	Low	17 Å²	17	72.8 Å²	72.8	11%	0.11	39%	0.387	C	S	.	.	P	Polyproline II helix	trans	-63.2	123.1	-178.4	-26.8	38.4	0	0	0	112	F99 R105 T109 I156	F99-P107 HydrophobicContact CE1-CB 3.95Å; F99-P107 HydrophobicContact CE1-CG 3.89Å; F99-P107 HydrophobicContact CZ-CB 4.1Å; F99-P107 HydrophobicContact CZ-CG 4.44Å; R105-P107 WeakPolarHBondContact O-CD 3.36Å; P107-T109 HydrophobicContact CB-CG2 4.26Å; P107-T109 PolarHBondContact O-N 3.02Å; P107-I156 HydrophobicContact CG-CD1 3.79Å
108	R	72.6	Confident	65.7	Low	193 Å²	193	68.1 Å²	68.1	73%	0.728	36%	0.357	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80.3	42.7	176.5	-63	-167.5	168.8	-143	-4.3	112.3	F106 L111 T149	F106-R108 PolarHBondContact O-N 3.2Å; R108-L111 HydrophobicContact CB-CD2 4.05Å; R108-L111 HydrophobicContact CG-CD2 3.98Å; R108-T149 PolarHBondContact O-OG1 3.44Å
109	T	83	Confident	67.9	Low	13 Å²	13	68 Å²	68	8%	0.08	34%	0.344	C	S	.	.	T	Hydrogen-bonded Turn	trans	-87.7	-33.5	174.6	53.9	0	0	0	0	111.5	F99 P107 T149 I150	F99-T109 HydrophobicContact CZ-CG2 4.08Å; P107-T109 HydrophobicContact CB-CG2 4.26Å; P107-T109 PolarHBondContact O-N 3.02Å; T109-T149 VanDerWaalsContact C-OG1 3.28Å; T109-T149 PolarHBondContact O-N 3.47Å; T109-T149 PolarHBondContact O-OG1 2.86Å; T109-I150 HydrophobicContact CG2-CB 4.12Å; T109-I150 HydrophobicContact CG2-CD1 4.22Å; T109-I150 PolarHBondContact O-N 3.1Å
110	V	85.2	Confident	69.9	Low	2 Å²	2	67.1 Å²	67.1	1%	0.012	34%	0.34	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.9	130.2	171	-167.1	0	0	0	0	106.9	L146 T147 T152 M202	V110-L146 HydrophobicContact CG1-CB 3.6Å; V110-L146 HydrophobicContact CG1-CD1 4.21Å; V110-L146 HydrophobicContact CG1-CD2 3.92Å; V110-L146 HydrophobicContact CG1-CG 4.12Å; V110-T147 WeakPolarHBondContact CA-O 3.2Å; V110-T152 HydrophobicContact CG2-CG2 3.54Å; V110-M202 HydrophobicContact CG2-CE 3.82Å; V110-M202 HydrophobicContact CG2-SD 4.34Å
111	L	82.5	Confident	72.2	Confident	56 Å²	56	62.8 Å²	62.8	29%	0.293	31%	0.313	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.4	141.1	176.2	-60.7	-177.9	0	0	0	109.1	R108 L146 T147 T149	R108-L111 HydrophobicContact CB-CD2 4.05Å; R108-L111 HydrophobicContact CG-CD2 3.98Å; L111-L146 CarbonylContact O-C 3.51Å; L111-L146 WeakPolarHBondContact O-CA 3.27Å; L111-T147 PolarHBondContact N-O 3.18Å; L111-T147 PolarHBondContact O-N 3.39Å; L111-T149 HydrophobicContact CD1-CG2 3.89Å; L111-T149 HydrophobicContact CG-CG2 4.01Å
112	P	83.4	Confident	74.1	Confident	40 Å²	40	60.4 Å²	60.4	26%	0.26	30%	0.299	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.7	157.4	169.6	33.5	-34.8	0	0	0	112.3	Y115 I144 V145 L146 M257	P112-Y115 HydrophobicContact CB-CD2 4.29Å; P112-Y115 HydrophobicContact CB-CE2 3.3Å; P112-Y115 WeakPolarHBondContact CB-OH 3.3Å; P112-Y115 HydrophobicContact CG-CE2 3.89Å; P112-I144 HydrophobicContact CB-CG2 4.11Å; P112-V145 WeakPolarHBondContact CA-O 3.39Å; P112-L146 HydrophobicContact CB-CD2 4.25Å; P112-M257 HydrophobicContact CG-CB 4.22Å; P112-M257 WeakPolarHBondContact CG-O 3.29Å; P112-M257 HydrophobicContact CG-SD 4.41Å
113	V	79.1	Confident	75.6	Confident	97 Å²	97	57.7 Å²	57.7	59%	0.588	28%	0.276	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-119	-35.7	170.3	-175.3	0	0	0	0	110.5	V145 T147	V113-V145 HydrophobicContact CB-CG1 4.38Å; V113-V145 PolarHBondContact N-O 3.2Å; V113-T147 WeakPolarHBondContact CG2-OG1 3.34Å
114	L	73.9	Confident	76.6	Confident	66 Å²	66	56.8 Å²	56.8	35%	0.346	27%	0.269	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-159.3	155.4	-177.2	-170.2	61.2	0	0	0	109.7	Y116 I144 V145 E259	L114-Y116 HydrophobicContact CD2-CE2 3.82Å; L114-Y116 VanDerWaalsContact CD2-OH 3.27Å; L114-Y116 WeakPolarHBondContact CD2-OH 3.33Å; L114-Y116 HydrophobicContact CG-CE2 4.01Å; L114-I144 CarbonylContact O-C 3.52Å; L114-V145 HydrophobicContact CB-CB 4.18Å; L114-V145 HydrophobicContact CB-CG2 4.41Å; L114-V145 PolarHBondContact N-O 2.88Å; L114-V145 PolarHBondContact O-N 2.76Å; L114-E259 CarbonylContact C-O 3.28Å
115	Y	72.6	Confident	76.9	Confident	0 Å²	0	58.1 Å²	58.1	0%	0	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.5	179.7	173.2	-70.3	-120.7	0	0	0	110.3	P112 V142 A143 I144 F254 M257 D258 E259 P260 D261	P112-Y115 HydrophobicContact CB-CD2 4.29Å; P112-Y115 HydrophobicContact CB-CE2 3.3Å; P112-Y115 WeakPolarHBondContact CB-OH 3.3Å; P112-Y115 HydrophobicContact CG-CE2 3.89Å; Y115-V142 HydrophobicContact CD1-CG2 3.63Å; Y115-V142 HydrophobicContact CE1-CG2 4.4Å; Y115-A143 CarbonylContact C-O 3.59Å; Y115-A143 WeakPolarHBondContact CA-O 3.23Å; Y115-A143 WeakPolarHBondContact CB-O 3.44Å; Y115-I144 HydrophobicContact CD1-CB 4.19Å; Y115-I144 HydrophobicContact CD1-CD1 4.06Å; Y115-I144 HydrophobicContact CD1-CG1 3.59Å; Y115-I144 HydrophobicContact CD1-CG2 3.91Å; Y115-I144 HydrophobicContact CD2-CG2 3.97Å; Y115-I144 HydrophobicContact CE1-CB 4.05Å; Y115-I144 HydrophobicContact CE1-CD1 3.4Å; Y115-I144 HydrophobicContact CE1-CG1 3.44Å; Y115-I144 VanDerWaalsContact CE1-CG1 3.44Å; Y115-I144 HydrophobicContact CE1-CG2 3.53Å; Y115-I144 HydrophobicContact CE2-CG2 3.6Å; Y115-I144 HydrophobicContact CG-CG1 4.35Å; Y115-I144 HydrophobicContact CG-CG2 4.03Å; Y115-I144 WeakPolarHBondContact OH-CG2 3.36Å; Y115-F254 HydrophobicContact CD1-CE2 4.07Å; Y115-M257 WeakPolarHBondContact OH-CA 3.18Å; Y115-M257 WeakPolarHBondContact OH-CB 3.47Å; Y115-M257 WeakPolarHBondContact OH-CG 3.26Å; Y115-M257 PolarHBondContact OH-N 3.32Å; Y115-D258 VanDerWaalsContact CD2-O 3.29Å; Y115-D258 WeakPolarHBondContact CD2-O 3.42Å; Y115-D258 VanDerWaalsContact CE2-N 3.26Å; Y115-D258 WeakPolarHBondContact CE2-O 3.38Å; Y115-D258 PolarHBondContact OH-N 2.85Å; Y115-D258 VanDerWaalsContact OH-N 3.15Å; Y115-E259 WeakPolarHBondContact CB-O 3.32Å; Y115-E259 PolarHBondContact N-O 3.41Å; Y115-P260 VanDerWaalsContact C-CA 3.43Å; Y115-P260 VanDerWaalsContact CB-CA 3.45Å; Y115-P260 HydrophobicContact CG-CG 4.46Å; Y115-P260 CarbonylContact O-C 3.55Å; Y115-P260 WeakPolarHBondContact O-CA 3.22Å; Y115-D261 PolarHBondContact O-N 2.86Å
116	Y	78.3	Confident	77	Confident	54 Å²	54	55 Å²	55	21%	0.212	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.8	74.4	-172.9	-81.7	-76.5	0	0	0	110.2	L114 V142 A143 V145 D261 L262	L114-Y116 HydrophobicContact CD2-CE2 3.82Å; L114-Y116 VanDerWaalsContact CD2-OH 3.27Å; L114-Y116 WeakPolarHBondContact CD2-OH 3.33Å; L114-Y116 HydrophobicContact CG-CE2 4.01Å; Y116-V142 CarbonylContact O-C 3.47Å; Y116-V142 WeakPolarHBondContact O-CA 3.43Å; Y116-A143 VanDerWaalsContact CB-CB 3.47Å; Y116-A143 HydrophobicContact CD2-CB 4.32Å; Y116-A143 HydrophobicContact CG-CB 4.18Å; Y116-A143 PolarHBondContact N-O 2.93Å; Y116-A143 PolarHBondContact O-N 2.84Å; Y116-V145 HydrophobicContact CD2-CG2 4.22Å; Y116-V145 HydrophobicContact CE2-CG2 3.75Å; Y116-D261 CarbonylContact C-O 3.51Å; Y116-D261 WeakPolarHBondContact CA-O 3.38Å; Y116-D261 VanDerWaalsContact CD1-C 3.49Å; Y116-D261 HydrophobicContact CD1-CB 3.83Å; Y116-D261 HydrophobicContact CE1-CB 3.65Å; Y116-L262 VanDerWaalsContact CB-O 3.29Å; Y116-L262 WeakPolarHBondContact CB-O 3.28Å; Y116-L262 HydrophobicContact CD1-CB 3.63Å; Y116-L262 HydrophobicContact CD1-CG 4.4Å; Y116-L262 VanDerWaalsContact CD1-N 3.3Å; Y116-L262 VanDerWaalsContact CD1-O 3.28Å; Y116-L262 WeakPolarHBondContact CD1-O 3.36Å; Y116-L262 HydrophobicContact CE1-CB 3.76Å; Y116-L262 HydrophobicContact CE1-CD1 4.34Å; Y116-L262 HydrophobicContact CE1-CG 4.06Å
117	V	78.4	Confident	76.9	Confident	26 Å²	26	56.9 Å²	56.9	16%	0.158	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.1	115.5	-174	173.3	0	0	0	0	114	K141 V142 W253 F254 P260 D261	V117-K141 VanDerWaalsContact CA-O 3.24Å; V117-K141 WeakPolarHBondContact CA-O 3.3Å; V117-V142 HydrophobicContact CG2-CB 3.86Å; V117-V142 HydrophobicContact CG2-CG2 3.64Å; V117-W253 HydrophobicContact CG1-CZ3 4.17Å; V117-F254 HydrophobicContact CG1-CB 4.46Å; V117-F254 HydrophobicContact CG2-CB 4.22Å; V117-F254 HydrophobicContact CG2-CD2 3.48Å; V117-F254 VanDerWaalsContact CG2-CD2 3.48Å; V117-F254 HydrophobicContact CG2-CE2 3.86Å; V117-F254 HydrophobicContact CG2-CG 3.84Å; V117-P260 HydrophobicContact CB-CB 3.48Å; V117-P260 VanDerWaalsContact CB-CB 3.48Å; V117-P260 HydrophobicContact CB-CG 3.84Å; V117-P260 HydrophobicContact CG2-CB 3.46Å; V117-P260 VanDerWaalsContact CG2-CB 3.46Å; V117-P260 HydrophobicContact CG2-CG 3.45Å; V117-P260 VanDerWaalsContact CG2-CG 3.45Å; V117-D261 CarbonylContact C-O 3.51Å; V117-D261 PolarHBondContact N-O 3.47Å
118	D	81.8	Confident	76.7	Confident	43 Å²	43	58.9 Å²	58.9	23%	0.23	34%	0.34	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97	141.3	157.2	-74.6	-61.6	0	0	0	110.4	G140 K141 Y214 S263	D118-G140 CarbonylContact O-C 3.54Å; D118-G140 WeakPolarHBondContact O-CA 3.3Å; D118-K141 HydrophobicContact CB-CB 4.27Å; D118-K141 PolarHBondContact N-O 3.32Å; D118-K141 PolarHBondContact O-N 2.67Å; D118-Y214 PolarHBondContact O-OH 3.22Å; D118-S263 WeakPolarHBondContact OD2-CA 3.46Å; D118-S263 PolarHBondContact OD2-N 2.85Å
119	L	83.7	Confident	76.4	Confident	45 Å²	45	57.8 Å²	57.8	24%	0.236	35%	0.347	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.5	114	170.7	-169.5	77.1	0	0	0	112	V121 F138 Y214 W253 F284	L119-V121 HydrophobicContact CD2-CG1 3.81Å; L119-V121 HydrophobicContact CG-CG1 4.07Å; L119-F138 HydrophobicContact CD1-CB 4.18Å; L119-F138 HydrophobicContact CD1-CD2 3.58Å; L119-F138 HydrophobicContact CD1-CE2 4.24Å; L119-F138 HydrophobicContact CD1-CG 4.16Å; L119-Y214 HydrophobicContact CD1-CE2 4.32Å; L119-W253 HydrophobicContact CD2-CE3 4.02Å; L119-W253 HydrophobicContact CD2-CZ3 4.23Å; L119-F284 HydrophobicContact CD2-CE1 3.77Å; L119-F284 HydrophobicContact CD2-CE2 4.42Å; L119-F284 HydrophobicContact CD2-CZ 3.37Å
120	K	82.8	Confident	75.8	Confident	81 Å²	81	62.2 Å²	62.2	35%	0.352	37%	0.365	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.1	111.1	170.9	-176.8	-165.9	-174.4	177.5	0	110	F122 F138 S139 W266	K120-F122 HydrophobicContact CD-CE1 4.29Å; K120-F122 HydrophobicContact CD-CE2 3.77Å; K120-F122 HydrophobicContact CD-CZ 3.62Å; K120-F122 HydrophobicContact CG-CE2 4.16Å; K120-F122 HydrophobicContact CG-CZ 4.42Å; K120-F138 CarbonylContact O-C 3.43Å; K120-F138 VanDerWaalsContact O-CA 3.24Å; K120-F138 WeakPolarHBondContact O-CA 3.43Å; K120-F138 WeakPolarHBondContact O-CB 3.41Å; K120-S139 WeakPolarHBondContact CA-O 3.38Å; K120-S139 WeakPolarHBondContact CB-O 3.24Å; K120-S139 PolarHBondContact N-O 3.13Å; K120-S139 PolarHBondContact O-N 2.99Å; K120-W266 HydrophobicContact CB-CH2 4.48Å; K120-W266 HydrophobicContact CD-CH2 3.47Å; K120-W266 VanDerWaalsContact CD-CH2 3.47Å; K120-W266 HydrophobicContact CD-CZ2 4.22Å; K120-W266 HydrophobicContact CD-CZ3 3.96Å; K120-W266 HydrophobicContact CG-CH2 3.91Å; K120-W266 HydrophobicContact CG-CZ3 3.99Å
121	V	84.4	Confident	75.2	Confident	43 Å²	43	64.7 Å²	64.7	26%	0.261	38%	0.379	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.6	141.3	173.9	-59.3	0	0	0	0	111.4	L119 F138 L241	L119-V121 HydrophobicContact CD2-CG1 3.81Å; L119-V121 HydrophobicContact CG-CG1 4.07Å; V121-F138 HydrophobicContact CG1-CB 4.2Å; V121-L241 HydrophobicContact CB-CD1 3.85Å; V121-L241 HydrophobicContact CB-CD2 4.35Å; V121-L241 HydrophobicContact CG1-CD1 3.93Å; V121-L241 HydrophobicContact CG1-CD2 3.79Å; V121-L241 HydrophobicContact CG2-CD1 4.46Å
122	F	84.2	Confident	74.5	Confident	40 Å²	40	66.5 Å²	66.5	18%	0.175	39%	0.394	C	S	.	.			trans	-109.2	88.3	-179.5	-66.7	-101.1	0	0	0	110.1	K120 L134 F136 R137	K120-F122 HydrophobicContact CD-CE1 4.29Å; K120-F122 HydrophobicContact CD-CE2 3.77Å; K120-F122 HydrophobicContact CD-CZ 3.62Å; K120-F122 HydrophobicContact CG-CE2 4.16Å; K120-F122 HydrophobicContact CG-CZ 4.42Å; F122-L134 WeakPolarHBondContact CB-O 3.46Å; F122-L134 HydrophobicContact CD1-CB 4.04Å; F122-L134 HydrophobicContact CD1-CD1 4.45Å; F122-L134 HydrophobicContact CD1-CD2 4.19Å; F122-L134 HydrophobicContact CD1-CG 4.47Å; F122-L134 HydrophobicContact CE1-CD1 4.32Å; F122-L134 HydrophobicContact CE1-CD2 3.84Å; F122-L134 HydrophobicContact CE1-CG 4.46Å; F122-L134 HydrophobicContact CG-CB 4.5Å; F122-L134 HydrophobicContact CZ-CD2 4.19Å; F122-F136 PolarHBondContact O-N 2.96Å; F122-R137 WeakPolarHBondContact CD2-O 3.13Å; F122-R137 PolarHBondContact N-O 2.89Å
123	L	78.2	Confident	74	Confident	47 Å²	47	74.4 Å²	74.4	25%	0.246	42%	0.418	C	S	.	.	P	Polyproline II helix	trans	-91.1	136.5	172.8	-77.3	175	0	0	0	111.1	L125 F136 L241	L123-L125 PolarHBondContact O-N 3Å; L123-F136 HydrophobicContact CD2-CD1 4.13Å; L123-F136 HydrophobicContact CD2-CE1 4.21Å; L123-L241 HydrophobicContact CD1-CB 4.08Å; L123-L241 HydrophobicContact CD2-CB 4.12Å; L123-L241 HydrophobicContact CD2-CD1 4.39Å; L123-L241 HydrophobicContact CG-CB 4.36Å
124	P	72.5	Confident	73.7	Confident	26 Å²	26	73.6 Å²	73.6	17%	0.169	41%	0.41	C	S	.	.	P	Polyproline II helix	trans	-68.1	125.6	167.3	29.8	-33	0	0	0	109.3	F130 F136 Y239	P124-F130 HydrophobicContact CB-CD2 3.95Å; P124-F130 HydrophobicContact CB-CE2 4.4Å; P124-F130 HydrophobicContact CG-CD2 4.26Å; P124-F130 HydrophobicContact CG-CE2 4.24Å; P124-F136 HydrophobicContact CG-CE1 3.94Å; P124-F136 HydrophobicContact CG-CE2 4.29Å; P124-F136 HydrophobicContact CG-CZ 3.61Å; P124-Y239 HydrophobicContact CG-CD2 3.63Å; P124-Y239 HydrophobicContact CG-CE2 3.55Å
125	L	65.3	Low	74.1	Confident	133 Å²	133	71.2 Å²	71.2	70%	0.696	40%	0.399	S	S	*	.	P	Polyproline II helix	trans	-86.2	145.8	174	-70.4	167.3	0	0	0	109.9	L123 G127 A128	L123-L125 PolarHBondContact O-N 3Å; L125-G127 PolarHBondContact O-N 2.99Å; L125-A128 HydrophobicContact CB-CB 4.13Å; L125-A128 WeakPolarHBondContact O-CB 3.29Å; L125-A128 PolarHBondContact O-N 2.77Å
126	A	61.5	Low	74.6	Confident	80 Å²	80	72 Å²	72	66%	0.661	40%	0.403	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.1	123.4	173.4	0	0	0	0	0	110.2
127	G	61.4	Low	75.1	Confident	92 Å²	92	74.4 Å²	74.4	95%	0.948	41%	0.411	S	S	*	.	T	Hydrogen-bonded Turn	trans	86.4	-2.8	-175.6	0	0	0	0	0	116	L125	L125-G127 PolarHBondContact O-N 2.99Å
128	A	66	Low	75.5	Confident	60 Å²	60	73.3 Å²	73.3	50%	0.496	41%	0.405	S	S	.	.	S	Bend	trans	-83.9	155.7	171.3	0	0	0	0	0	111.9	L125 F130	L125-A128 HydrophobicContact CB-CB 4.13Å; L125-A128 WeakPolarHBondContact O-CB 3.29Å; L125-A128 PolarHBondContact O-N 2.77Å; A128-F130 PolarHBondContact O-N 3.28Å
129	I	65.8	Low	75.9	Confident	169 Å²	169	73.2 Å²	73.2	87%	0.867	41%	0.407	S	S	*	.			trans	-66.7	121.8	170.9	-62.2	168.7	0	0	0	108.7	D131	I129-D131 PolarHBondContact O-N 3.39Å
130	F	69.9	Low	76.2	Confident	106 Å²	106	71.6 Å²	71.6	47%	0.465	40%	0.401	S	S	.	.			trans	-70.9	107.1	174.2	-175.7	-93.6	0	0	0	110.4	P124 A128 P132 F136	P124-F130 HydrophobicContact CB-CD2 3.95Å; P124-F130 HydrophobicContact CB-CE2 4.4Å; P124-F130 HydrophobicContact CG-CD2 4.26Å; P124-F130 HydrophobicContact CG-CE2 4.24Å; A128-F130 PolarHBondContact O-N 3.28Å; F130-P132 HydrophobicContact CD1-CG 3.98Å; F130-P132 HydrophobicContact CE1-CB 4.03Å; F130-P132 HydrophobicContact CE1-CG 3.82Å; F130-P132 WeakPolarHBondContact O-CD 3.15Å; F130-F136 AromaticContact CE2-CE2 3.78Å; F130-F136 HydrophobicContact CE2-CE2 3.78Å; F130-F136 HydrophobicContact CE2-CZ 4.38Å; F130-F136 HydrophobicContact CZ-CE2 4.12Å
131	D	73	Confident	76.6	Confident	55 Å²	55	71.8 Å²	71.8	29%	0.294	40%	0.402	S	S	.	.			trans	-93	112.2	167.4	179.4	8.4	0	0	0	109.9	I129 R133 L134 S135	I129-D131 PolarHBondContact O-N 3.39Å; D131-R133 PolarHBondContact O-N 3.12Å; D131-R133 VanDerWaalsContact OD1-CB 3.23Å; D131-R133 WeakPolarHBondContact OD1-CB 3.38Å; D131-R133 WeakPolarHBondContact OD1-CG 3.22Å; D131-R133 PolarHBondContact OD1-N 2.62Å; D131-L134 HydrophobicContact CB-CB 4.46Å; D131-L134 PolarHBondContact O-N 2.87Å; D131-L134 WeakPolarHBondContact OD2-CG 3.41Å; D131-S135 VanDerWaalsContact O-CB 3.25Å; D131-S135 WeakPolarHBondContact O-CB 3.34Å; D131-S135 PolarHBondContact O-N 3.21Å; D131-S135 PolarHBondContact O-OG 3.31Å
132	P	68.9	Low	76.8	Confident	94 Å²	94	69.7 Å²	69.7	61%	0.61	39%	0.39	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.8	-17.2	176.3	-16.6	29.1	0	0	0	113.8	F130	F130-P132 HydrophobicContact CD1-CG 3.98Å; F130-P132 HydrophobicContact CE1-CB 4.03Å; F130-P132 HydrophobicContact CE1-CG 3.82Å; F130-P132 WeakPolarHBondContact O-CD 3.15Å
133	R	71.4	Confident	77.1	Confident	205 Å²	205	68.2 Å²	68.2	77%	0.774	39%	0.385	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81.7	-25.7	-178.9	-56.3	172.8	175.8	178.7	-0.7	112.6	D131 R137	D131-R133 PolarHBondContact O-N 3.12Å; D131-R133 VanDerWaalsContact OD1-CB 3.23Å; D131-R133 WeakPolarHBondContact OD1-CB 3.38Å; D131-R133 WeakPolarHBondContact OD1-CG 3.22Å; D131-R133 PolarHBondContact OD1-N 2.62Å; R133-R137 WeakPolarHBondContact O-CD 3.34Å
134	L	74.7	Confident	77.6	Confident	81 Å²	81	66 Å²	66	42%	0.424	37%	0.373	S	S	.	.	T	Hydrogen-bonded Turn	trans	-109.9	-36.1	179.7	-68.3	177.1	0	0	0	113	F122 D131 F136 R137	F122-L134 WeakPolarHBondContact CB-O 3.46Å; F122-L134 HydrophobicContact CD1-CB 4.04Å; F122-L134 HydrophobicContact CD1-CD1 4.45Å; F122-L134 HydrophobicContact CD1-CD2 4.19Å; F122-L134 HydrophobicContact CD1-CG 4.47Å; F122-L134 HydrophobicContact CE1-CD1 4.32Å; F122-L134 HydrophobicContact CE1-CD2 3.84Å; F122-L134 HydrophobicContact CE1-CG 4.46Å; F122-L134 HydrophobicContact CG-CB 4.5Å; F122-L134 HydrophobicContact CZ-CD2 4.19Å; D131-L134 HydrophobicContact CB-CB 4.46Å; D131-L134 PolarHBondContact O-N 2.87Å; D131-L134 WeakPolarHBondContact OD2-CG 3.41Å; L134-F136 PolarHBondContact O-N 2.98Å; L134-R137 WeakPolarHBondContact O-CB 3.43Å; L134-R137 WeakPolarHBondContact O-CG 3.4Å; L134-R137 PolarHBondContact O-N 2.92Å
135	S	80.7	Confident	78.4	Confident	16 Å²	16	65.9 Å²	65.9	11%	0.112	37%	0.372	C	S	.	.	T	Hydrogen-bonded Turn	trans	-58.4	132.8	-174	-57.9	0	0	0	0	112.3	D131 R137	D131-S135 VanDerWaalsContact O-CB 3.25Å; D131-S135 WeakPolarHBondContact O-CB 3.34Å; D131-S135 PolarHBondContact O-N 3.21Å; D131-S135 PolarHBondContact O-OG 3.31Å; S135-R137 PolarHBondContact O-N 2.95Å
136	F	84.7	Confident	79.6	Confident	16 Å²	16	59.5 Å²	59.5	7%	0.07	34%	0.339	C	S	.	.	T	Hydrogen-bonded Turn	trans	61.3	12.2	-175.6	-41.3	-72.6	0	0	0	115.4	F122 L123 P124 F130 L134 A218 R228 Y239	F122-F136 PolarHBondContact O-N 2.96Å; L123-F136 HydrophobicContact CD2-CD1 4.13Å; L123-F136 HydrophobicContact CD2-CE1 4.21Å; P124-F136 HydrophobicContact CG-CE1 3.94Å; P124-F136 HydrophobicContact CG-CE2 4.29Å; P124-F136 HydrophobicContact CG-CZ 3.61Å; F130-F136 AromaticContact CE2-CE2 3.78Å; F130-F136 HydrophobicContact CE2-CE2 3.78Å; F130-F136 HydrophobicContact CE2-CZ 4.38Å; F130-F136 HydrophobicContact CZ-CE2 4.12Å; L134-F136 PolarHBondContact O-N 2.98Å; F136-A218 HydrophobicContact CB-CB 4.45Å; F136-A218 WeakPolarHBondContact O-CB 3.33Å; F136-A218 PolarHBondContact O-N 3.5Å; F136-R228 HydrophobicContact CD1-CB 3.99Å; F136-R228 HydrophobicContact CD1-CG 4.35Å; F136-R228 VanDerWaalsContact CD2-NH1 3.28Å; F136-R228 HydrophobicContact CE1-CB 4.47Å; F136-R228 VanDerWaalsContact CE2-NH1 3.29Å; F136-Y239 AromaticContact CE1-CD1 3.67Å; F136-Y239 HydrophobicContact CE1-CD1 3.67Å; F136-Y239 HydrophobicContact CE1-CD2 4.07Å; F136-Y239 AromaticContact CE1-CE1 3.97Å; F136-Y239 HydrophobicContact CE1-CE1 3.97Å; F136-Y239 HydrophobicContact CE1-CE2 4.32Å; F136-Y239 AromaticContact CE1-CG 3.71Å; F136-Y239 HydrophobicContact CE1-CG 3.71Å; F136-Y239 AromaticContact CZ-CD1 3.81Å; F136-Y239 HydrophobicContact CZ-CD1 3.81Å; F136-Y239 HydrophobicContact CZ-CD2 4.07Å; F136-Y239 AromaticContact CZ-CE1 3.59Å; F136-Y239 HydrophobicContact CZ-CE1 3.59Å; F136-Y239 AromaticContact CZ-CE2 3.85Å; F136-Y239 HydrophobicContact CZ-CE2 3.85Å; F136-Y239 HydrophobicContact CZ-CG 4.03Å; F136-Y239 AromaticContact CZ-CZ 3.6Å
137	R	87.6	Confident	81	Confident	105 Å²	105	57.4 Å²	57.4	40%	0.396	32%	0.318	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.8	164.3	166.4	-51.7	-153.1	84.5	94.2	6.5	110.5	F122 R133 L134 S135	F122-R137 WeakPolarHBondContact CD2-O 3.13Å; F122-R137 PolarHBondContact N-O 2.89Å; R133-R137 WeakPolarHBondContact O-CD 3.34Å; L134-R137 WeakPolarHBondContact O-CB 3.43Å; L134-R137 WeakPolarHBondContact O-CG 3.4Å; L134-R137 PolarHBondContact O-N 2.92Å; S135-R137 PolarHBondContact O-N 2.95Å
138	F	87.8	Confident	82.4	Confident	3 Å²	3	53.1 Å²	53.1	1%	0.013	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.8	147.3	164.3	60.6	-92.6	0	0	0	110.8	L119 K120 V121 L162 Y214 T215 G216 V226 W253	L119-F138 HydrophobicContact CD1-CB 4.18Å; L119-F138 HydrophobicContact CD1-CD2 3.58Å; L119-F138 HydrophobicContact CD1-CE2 4.24Å; L119-F138 HydrophobicContact CD1-CG 4.16Å; K120-F138 CarbonylContact O-C 3.43Å; K120-F138 VanDerWaalsContact O-CA 3.24Å; K120-F138 WeakPolarHBondContact O-CA 3.43Å; K120-F138 WeakPolarHBondContact O-CB 3.41Å; V121-F138 HydrophobicContact CG1-CB 4.2Å; F138-L162 HydrophobicContact CE2-CD2 3.55Å; F138-L162 HydrophobicContact CZ-CD2 3.6Å; F138-Y214 HydrophobicContact CD2-CE2 4.35Å; F138-Y214 HydrophobicContact CE2-CD2 4.45Å; F138-Y214 HydrophobicContact CE2-CE2 4.16Å; F138-T215 WeakPolarHBondContact O-CA 3.49Å; F138-G216 PolarHBondContact N-O 2.79Å; F138-G216 PolarHBondContact O-N 3.48Å; F138-V226 HydrophobicContact CD1-CB 3.97Å; F138-V226 HydrophobicContact CD1-CG1 4.22Å; F138-V226 HydrophobicContact CD1-CG2 3.8Å; F138-V226 HydrophobicContact CE1-CB 3.62Å; F138-V226 HydrophobicContact CE1-CG1 4.36Å; F138-V226 HydrophobicContact CE1-CG2 3.43Å; F138-V226 VanDerWaalsContact CE1-CG2 3.43Å; F138-V226 HydrophobicContact CE2-CG2 4.22Å; F138-V226 HydrophobicContact CG-CG2 4.35Å; F138-V226 HydrophobicContact CZ-CB 4.28Å; F138-V226 HydrophobicContact CZ-CG2 3.64Å; F138-W253 WeakPolarHBondContact CE2-O 3.32Å
139	S	89.9	Confident	83.5	Confident	41 Å²	41	52.6 Å²	52.6	29%	0.287	26%	0.263	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.6	139.3	167	-57.5	0	0	0	0	107	K120 Y214	K120-S139 WeakPolarHBondContact CA-O 3.38Å; K120-S139 WeakPolarHBondContact CB-O 3.24Å; K120-S139 PolarHBondContact N-O 3.13Å; K120-S139 PolarHBondContact O-N 2.99Å; S139-Y214 WeakPolarHBondContact CA-O 3.45Å
140	G	89.3	Confident	84.6	Confident	11 Å²	11	48.8 Å²	48.8	11%	0.113	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.1	169.7	175	0	0	0	0	0	111.7	D118 Y214	D118-G140 CarbonylContact O-C 3.54Å; D118-G140 WeakPolarHBondContact O-CA 3.3Å; G140-Y214 VanDerWaalsContact C-CE1 3.43Å; G140-Y214 VanDerWaalsContact CA-CZ 3.48Å; G140-Y214 PolarHBondContact N-O 2.9Å; G140-Y214 WeakPolarHBondContact O-CD1 3.38Å; G140-Y214 PolarHBondContact O-N 3.05Å
141	K	91.1	Very high	85.7	Confident	84 Å²	84	47.9 Å²	47.9	37%	0.365	24%	0.241	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.9	142.3	171.3	-172.2	-178.9	174	-169.8	0	106.4	V117 D118 T211 L212 Y214	V117-K141 VanDerWaalsContact CA-O 3.24Å; V117-K141 WeakPolarHBondContact CA-O 3.3Å; D118-K141 HydrophobicContact CB-CB 4.27Å; D118-K141 PolarHBondContact N-O 3.32Å; D118-K141 PolarHBondContact O-N 2.67Å; K141-T211 HydrophobicContact CD-CG2 4.39Å; K141-T211 HydrophobicContact CG-CG2 4.15Å; K141-L212 CarbonylContact C-O 3.57Å; K141-L212 WeakPolarHBondContact CA-O 3.21Å; K141-Y214 VanDerWaalsContact C-CE1 3.48Å
142	V	88.4	Confident	86.8	Confident	0 Å²	0	46 Å²	46	0%	0	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.8	119.3	169.3	58.6	0	0	0	0	107.2	Y115 Y116 V117 I144 T211 L212 Y214 F254 P255	Y115-V142 HydrophobicContact CD1-CG2 3.63Å; Y115-V142 HydrophobicContact CE1-CG2 4.4Å; Y116-V142 CarbonylContact O-C 3.47Å; Y116-V142 WeakPolarHBondContact O-CA 3.43Å; V117-V142 HydrophobicContact CG2-CB 3.86Å; V117-V142 HydrophobicContact CG2-CG2 3.64Å; V142-I144 HydrophobicContact CG2-CG1 4.04Å; V142-T211 CarbonylContact O-C 3.59Å; V142-L212 HydrophobicContact CG1-CB 3.79Å; V142-L212 HydrophobicContact CG1-CD1 4.17Å; V142-L212 HydrophobicContact CG1-CG 4.31Å; V142-L212 PolarHBondContact N-O 3.25Å; V142-L212 PolarHBondContact O-N 3.41Å; V142-Y214 HydrophobicContact CB-CE1 3.98Å; V142-Y214 HydrophobicContact CG1-CD1 4.05Å; V142-Y214 HydrophobicContact CG1-CE1 3.92Å; V142-F254 HydrophobicContact CG2-CD2 4.11Å; V142-P255 HydrophobicContact CG1-CB 4.19Å; V142-P255 HydrophobicContact CG1-CG 3.99Å
143	A	90.4	Very high	88	Confident	9 Å²	9	47.2 Å²	47.2	7%	0.074	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.4	162.2	155.1	0	0	0	0	0	110.8	Y115 Y116 T209 L210 T211	Y115-A143 CarbonylContact C-O 3.59Å; Y115-A143 WeakPolarHBondContact CA-O 3.23Å; Y115-A143 WeakPolarHBondContact CB-O 3.44Å; Y116-A143 VanDerWaalsContact CB-CB 3.47Å; Y116-A143 HydrophobicContact CD2-CB 4.32Å; Y116-A143 HydrophobicContact CG-CB 4.18Å; Y116-A143 PolarHBondContact N-O 2.93Å; Y116-A143 PolarHBondContact O-N 2.84Å; A143-T209 HydrophobicContact CB-CG2 4.07Å; A143-L210 CarbonylContact C-O 3.52Å; A143-L210 VanDerWaalsContact C-O 3.27Å; A143-L210 WeakPolarHBondContact CA-O 3.14Å; A143-T211 HydrophobicContact CB-CG2 4.12Å
144	I	89.2	Confident	89.1	Confident	0 Å²	0	40.8 Å²	40.8	0%	0	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.5	116	-178.6	-39.9	178.9	0	0	0	108.8	P112 L114 Y115 V142 L146 L157 T209 L210	P112-I144 HydrophobicContact CB-CG2 4.11Å; L114-I144 CarbonylContact O-C 3.52Å; Y115-I144 HydrophobicContact CD1-CB 4.19Å; Y115-I144 HydrophobicContact CD1-CD1 4.06Å; Y115-I144 HydrophobicContact CD1-CG1 3.59Å; Y115-I144 HydrophobicContact CD1-CG2 3.91Å; Y115-I144 HydrophobicContact CD2-CG2 3.97Å; Y115-I144 HydrophobicContact CE1-CB 4.05Å; Y115-I144 HydrophobicContact CE1-CD1 3.4Å; Y115-I144 HydrophobicContact CE1-CG1 3.44Å; Y115-I144 VanDerWaalsContact CE1-CG1 3.44Å; Y115-I144 HydrophobicContact CE1-CG2 3.53Å; Y115-I144 HydrophobicContact CE2-CG2 3.6Å; Y115-I144 HydrophobicContact CG-CG1 4.35Å; Y115-I144 HydrophobicContact CG-CG2 4.03Å; Y115-I144 WeakPolarHBondContact OH-CG2 3.36Å; V142-I144 HydrophobicContact CG2-CG1 4.04Å; I144-L146 HydrophobicContact CB-CD1 4.42Å; I144-L146 HydrophobicContact CB-CD2 4.22Å; I144-L146 HydrophobicContact CB-CG 4.04Å; I144-L146 HydrophobicContact CG2-CD2 3.44Å; I144-L146 VanDerWaalsContact CG2-CD2 3.44Å; I144-L146 HydrophobicContact CG2-CG 3.71Å; I144-L157 HydrophobicContact CD1-CD1 3.77Å; I144-L157 HydrophobicContact CD1-CD2 3.44Å; I144-L157 VanDerWaalsContact CD1-CD2 3.44Å; I144-L157 HydrophobicContact CD1-CG 4.3Å; I144-T209 CarbonylContact O-C 3.26Å; I144-T209 VanDerWaalsContact O-CA 3.23Å; I144-T209 WeakPolarHBondContact O-CA 3.22Å; I144-L210 HydrophobicContact CB-CB 4.4Å; I144-L210 HydrophobicContact CD1-CD2 3.73Å; I144-L210 HydrophobicContact CG1-CD2 4.3Å; I144-L210 PolarHBondContact N-O 3.38Å; I144-L210 PolarHBondContact O-N 2.97Å
145	V	88.9	Confident	89.9	Confident	23 Å²	23	36.9 Å²	36.9	14%	0.139	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.4	119.1	164.9	-177.3	0	0	0	0	107.9	P112 V113 L114 Y116 Y208	P112-V145 WeakPolarHBondContact CA-O 3.39Å; V113-V145 HydrophobicContact CB-CG1 4.38Å; V113-V145 PolarHBondContact N-O 3.2Å; L114-V145 HydrophobicContact CB-CB 4.18Å; L114-V145 HydrophobicContact CB-CG2 4.41Å; L114-V145 PolarHBondContact N-O 2.88Å; L114-V145 PolarHBondContact O-N 2.76Å; Y116-V145 HydrophobicContact CD2-CG2 4.22Å; Y116-V145 HydrophobicContact CE2-CG2 3.75Å; V145-Y208 CarbonylContact C-O 3.46Å; V145-Y208 WeakPolarHBondContact CA-O 3.48Å
146	L	90.6	Very high	90.4	Very high	0 Å²	0	37.1 Å²	37.1	0%	0	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.6	126.5	-168.8	-68.7	171.2	0	0	0	109.1	V110 L111 P112 I144 I155 N207 Y208 L210 M257	V110-L146 HydrophobicContact CG1-CB 3.6Å; V110-L146 HydrophobicContact CG1-CD1 4.21Å; V110-L146 HydrophobicContact CG1-CD2 3.92Å; V110-L146 HydrophobicContact CG1-CG 4.12Å; L111-L146 CarbonylContact O-C 3.51Å; L111-L146 WeakPolarHBondContact O-CA 3.27Å; P112-L146 HydrophobicContact CB-CD2 4.25Å; I144-L146 HydrophobicContact CB-CD1 4.42Å; I144-L146 HydrophobicContact CB-CD2 4.22Å; I144-L146 HydrophobicContact CB-CG 4.04Å; I144-L146 HydrophobicContact CG2-CD2 3.44Å; I144-L146 VanDerWaalsContact CG2-CD2 3.44Å; I144-L146 HydrophobicContact CG2-CG 3.71Å; L146-I155 HydrophobicContact CD1-CD1 4.02Å; L146-I155 HydrophobicContact CD1-CG1 4.46Å; L146-I155 HydrophobicContact CD1-CG2 3.96Å; L146-N207 CarbonylContact O-C 3.45Å; L146-N207 VanDerWaalsContact O-CA 3.22Å; L146-N207 WeakPolarHBondContact O-CA 3.43Å; L146-Y208 WeakPolarHBondContact CB-O 3.44Å; L146-Y208 PolarHBondContact N-O 2.8Å; L146-Y208 PolarHBondContact O-N 2.77Å; L146-L210 HydrophobicContact CD1-CB 3.89Å; L146-M257 HydrophobicContact CD1-CE 4.34Å; L146-M257 HydrophobicContact CD2-CE 3.45Å; L146-M257 VanDerWaalsContact CD2-CE 3.45Å; L146-M257 HydrophobicContact CD2-SD 3.59Å; L146-M257 VanDerWaalsContact CD2-SD 3.59Å
147	T	90	Very high	90.6	Very high	36 Å²	36	36.3 Å²	36.3	22%	0.221	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.1	125.8	165.1	-54.1	0	0	0	0	109.2	V110 L111 V113 T149 N207	V110-T147 WeakPolarHBondContact CA-O 3.2Å; L111-T147 PolarHBondContact N-O 3.18Å; L111-T147 PolarHBondContact O-N 3.39Å; V113-T147 WeakPolarHBondContact CG2-OG1 3.34Å; T147-T149 PolarHBondContact O-N 2.83Å; T147-N207 WeakPolarHBondContact CB-OD1 3.44Å; T147-N207 PolarHBondContact OG1-OD1 3.14Å
148	C	92.8	Very high	90.5	Very high	1 Å²	1	32.3 Å²	32.3	1%	0.007	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.5	116.7	171.8	-176.7	0	0	0	0	109.8	I150 M202 E203 G205 R206 Y208	C148-I150 PolarHBondContact SG-O 3.36Å; C148-I150 VanDerWaalsContact SG-O 3.39Å; C148-M202 HydrophobicContact CB-CB 4.04Å; C148-M202 PolarHBondContact SG-O 3.26Å; C148-E203 VanDerWaalsContact CB-O 3.24Å; C148-E203 WeakPolarHBondContact CB-O 3.46Å; C148-G205 PolarHBondContact O-N 3.07Å; C148-R206 PolarHBondContact N-O 3.19Å; C148-Y208 HydrophobicContact CB-CD2 4.15Å; C148-Y208 HydrophobicContact CB-CE2 3.86Å
149	T	87.3	Confident	90.5	Very high	49 Å²	49	32.4 Å²	32.4	30%	0.301	17%	0.166	S	C	.	.	S	Bend	trans	-102.2	-20.1	-179	45.7	0	0	0	0	113.3	R108 T109 L111 T147 I204	R108-T149 PolarHBondContact O-OG1 3.44Å; T109-T149 VanDerWaalsContact C-OG1 3.28Å; T109-T149 PolarHBondContact O-N 3.47Å; T109-T149 PolarHBondContact O-OG1 2.86Å; L111-T149 HydrophobicContact CD1-CG2 3.89Å; L111-T149 HydrophobicContact CG-CG2 4.01Å; T147-T149 PolarHBondContact O-N 2.83Å; T149-I204 VanDerWaalsContact O-CD1 3.31Å; T149-I204 WeakPolarHBondContact O-CD1 3.43Å
150	I	89.2	Confident	90.3	Very high	89 Å²	89	31.6 Å²	31.6	46%	0.456	16%	0.159	S	C	.	.	S	Bend	trans	-143.8	127.1	171.4	-51	174.6	0	0	0	107.1	T109 C148 T152	T109-I150 HydrophobicContact CG2-CB 4.12Å; T109-I150 HydrophobicContact CG2-CD1 4.22Å; T109-I150 PolarHBondContact O-N 3.1Å; C148-I150 PolarHBondContact SG-O 3.36Å; C148-I150 VanDerWaalsContact SG-O 3.39Å; I150-T152 PolarHBondContact O-N 3.05Å; I150-T152 VanDerWaalsContact O-N 3.16Å
151	Q	94.6	Very high	90	Very high	87 Å²	87	34.5 Å²	34.5	41%	0.407	19%	0.189	S	C	.	.			trans	-53	119.6	-175.8	-178.2	172.8	14.1	0	0	111.8	P201 M202	Q151-P201 HydrophobicContact CG-CB 3.92Å; Q151-M202 WeakPolarHBondContact CA-O 3.13Å; Q151-M202 WeakPolarHBondContact CG-O 3.44Å
152	T	94.3	Very high	89.9	Confident	16 Å²	16	30.7 Å²	30.7	10%	0.098	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-152.9	158.6	-173.6	-172.4	0	0	0	0	112.5	V110 I150 H154 P201 M202	V110-T152 HydrophobicContact CG2-CG2 3.54Å; I150-T152 PolarHBondContact O-N 3.05Å; I150-T152 VanDerWaalsContact O-N 3.16Å; T152-H154 PolarHBondContact OG1-N 3.31Å; T152-H154 VanDerWaalsContact OG1-N 3.16Å; T152-P201 CarbonylContact O-C 3.6Å; T152-P201 WeakPolarHBondContact O-CA 3.29Å; T152-M202 HydrophobicContact CG2-CE 3.79Å; T152-M202 WeakPolarHBondContact O-CE 3.4Å; T152-M202 PolarHBondContact O-N 2.69Å
153	R	95.6	Very high	90	Very high	119 Å²	119	37.6 Å²	37.6	45%	0.449	20%	0.203	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.8	-12.9	168.7	-68.3	-177.2	-173.3	-160.5	-1.8	113.3	E197 A198 E199 P201	R153-E197 HydrophobicContact CB-CG 4.49Å; R153-A198 WeakPolarHBondContact CB-O 3.19Å; R153-A198 WeakPolarHBondContact CD-O 3.5Å; R153-A198 PolarHBondContact O-N 3.2Å; R153-E199 PolarHBondContact NH1-O 3.26Å; R153-P201 HydrophobicContact CG-CB 4.01Å
154	H	93.7	Very high	90.1	Very high	70 Å²	70	38 Å²	38	32%	0.324	20%	0.203	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.9	128.8	-170.5	-59.3	-63.4	0	0	0	112.4	T152 I195 L196	T152-H154 PolarHBondContact OG1-N 3.31Å; T152-H154 VanDerWaalsContact OG1-N 3.16Å; H154-I195 HydrophobicContact CB-CG2 4.47Å; H154-L196 WeakPolarHBondContact CA-O 3.21Å
155	I	92.6	Very high	90.1	Very high	0 Å²	0	39.9 Å²	39.9	0%	0	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.4	112.4	169.3	-59.3	172.8	0	0	0	106.9	L146 L157 L171 L196 M202 L210 M257	L146-I155 HydrophobicContact CD1-CD1 4.02Å; L146-I155 HydrophobicContact CD1-CG1 4.46Å; L146-I155 HydrophobicContact CD1-CG2 3.96Å; I155-L157 HydrophobicContact CG2-CD2 4.12Å; I155-L171 HydrophobicContact CD1-CD1 3.54Å; I155-L171 HydrophobicContact CD1-CD2 3.72Å; I155-L171 HydrophobicContact CD1-CG 4.26Å; I155-L196 HydrophobicContact CB-CB 4.21Å; I155-L196 HydrophobicContact CB-CD1 4.46Å; I155-L196 HydrophobicContact CG2-CD1 4.28Å; I155-L196 PolarHBondContact N-O 2.94Å; I155-L196 WeakPolarHBondContact O-CB 3.37Å; I155-L196 PolarHBondContact O-N 2.98Å; I155-M202 HydrophobicContact CD1-CE 4.04Å; I155-M202 HydrophobicContact CD1-SD 3.8Å; I155-M202 HydrophobicContact CG1-CE 3.49Å; I155-M202 VanDerWaalsContact CG1-CE 3.49Å; I155-M202 HydrophobicContact CG1-SD 3.87Å; I155-L210 HydrophobicContact CD1-CD1 4.04Å; I155-L210 HydrophobicContact CG2-CD2 4.15Å; I155-M257 HydrophobicContact CG2-CE 3.5Å; I155-M257 VanDerWaalsContact CG2-CE 3.5Å
156	I	89.2	Confident	90.1	Very high	20 Å²	20	42.1 Å²	42.1	10%	0.103	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103	126.6	-177	-61.7	165.9	0	0	0	107.9	F106 P107 R193 L194 I195 M257	F106-I156 HydrophobicContact CE2-CB 4.39Å; F106-I156 HydrophobicContact CE2-CG2 4.24Å; F106-I156 WeakPolarHBondContact CE2-O 3.23Å; F106-I156 WeakPolarHBondContact CZ-O 3.38Å; P107-I156 HydrophobicContact CG-CD1 3.79Å; I156-R193 HydrophobicContact CG2-CB 4.2Å; I156-R193 HydrophobicContact CG2-CG 4.08Å; I156-L194 CarbonylContact C-O 3.5Å; I156-L194 WeakPolarHBondContact CA-O 3.44Å; I156-I195 HydrophobicContact CG1-CG1 4.2Å; I156-I195 HydrophobicContact CG1-CG2 4.1Å; I156-I195 HydrophobicContact CG2-CG1 4.46Å; I156-M257 WeakPolarHBondContact O-CE 3.47Å
157	L	89.5	Confident	90.1	Very high	0 Å²	0	51.1 Å²	51.1	0%	0	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115	164.8	170.3	-47.3	-174.4	0	0	0	110.3	I144 I155 R193 L194 L196 L210 L212 P255 M257	I144-L157 HydrophobicContact CD1-CD1 3.77Å; I144-L157 HydrophobicContact CD1-CD2 3.44Å; I144-L157 VanDerWaalsContact CD1-CD2 3.44Å; I144-L157 HydrophobicContact CD1-CG 4.3Å; I155-L157 HydrophobicContact CG2-CD2 4.12Å; L157-R193 CarbonylContact O-C 3.46Å; L157-R193 VanDerWaalsContact O-CA 3.22Å; L157-R193 WeakPolarHBondContact O-CA 3.35Å; L157-L194 HydrophobicContact CB-CB 4.17Å; L157-L194 HydrophobicContact CB-CD2 4.42Å; L157-L194 HydrophobicContact CD1-CD2 4.01Å; L157-L194 HydrophobicContact CG-CD2 4.3Å; L157-L194 PolarHBondContact N-O 2.96Å; L157-L194 PolarHBondContact O-N 3.22Å; L157-L196 HydrophobicContact CD1-CD1 4.41Å; L157-L196 HydrophobicContact CG-CD1 4.43Å; L157-L210 HydrophobicContact CD1-CD2 4.09Å; L157-L210 HydrophobicContact CD2-CD2 4.47Å; L157-L212 HydrophobicContact CD1-CD1 3.35Å; L157-P255 HydrophobicContact CD1-CB 3.66Å; L157-M257 HydrophobicContact CD2-CE 3.6Å; L157-M257 HydrophobicContact CD2-CG 3.42Å; L157-M257 VanDerWaalsContact CD2-CG 3.42Å; L157-M257 HydrophobicContact CD2-SD 4.31Å
158	N	86.1	Confident	90.2	Very high	21 Å²	21	53.2 Å²	53.2	11%	0.112	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.4	131.3	161.6	-57.2	-81.2	0	0	0	108.9	R251 P255 S256	N158-R251 HydrophobicContact CB-CB 3.69Å; N158-R251 VanDerWaalsContact CB-CZ 3.49Å; N158-R251 PolarHBondContact OD1-NH1 2.82Å; N158-R251 PolarHBondContact OD1-NH2 3.19Å; N158-P255 WeakPolarHBondContact O-CA 3.47Å; N158-S256 WeakPolarHBondContact CB-O 3.19Å; N158-S256 PolarHBondContact N-O 3.08Å; N158-S256 PolarHBondContact ND2-O 3.37Å; N158-S256 PolarHBondContact O-N 3.49Å
159	S	88.5	Confident	90.3	Very high	4 Å²	4	53.8 Å²	53.8	3%	0.028	28%	0.282	C	S	.	.			trans	-157	132.6	177.2	-172.4	0	0	0	0	111.6	Q192	S159-Q192 PolarHBondContact N-O 3.11Å; S159-Q192 VanDerWaalsContact N-O 3.12Å
160	V	84.4	Confident	90.6	Very high	25 Å²	25	57.3 Å²	57.3	15%	0.152	30%	0.295	C	S	.	.	S	Bend	trans	-139.7	128.3	176.8	177.9	0	0	0	0	110.3	L162 Q192 R251 W252	V160-L162 PolarHBondContact O-N 2.86Å; V160-Q192 HydrophobicContact CG2-CB 3.54Å; V160-Q192 HydrophobicContact CG2-CG 3.69Å; V160-R251 HydrophobicContact CB-CG 4.11Å; V160-R251 VanDerWaalsContact CG2-CD 3.47Å; V160-R251 HydrophobicContact CG2-CG 3.73Å; V160-R251 PolarHBondContact N-O 3.29Å; V160-W252 HydrophobicContact CB-CD2 4.11Å; V160-W252 HydrophobicContact CB-CG 4.18Å; V160-W252 HydrophobicContact CG1-CD2 4.3Å; V160-W252 HydrophobicContact CG1-CG 4.32Å; V160-W252 HydrophobicContact CG1-CZ2 4.31Å
161	G	83.4	Confident	91	Very high	71 Å²	71	53.3 Å²	53.3	73%	0.732	27%	0.274	S	S	*	.	S	Bend	trans	73	-13.2	176.4	0	0	0	0	0	115.6
162	L	89.9	Confident	91.1	Very high	5 Å²	5	52 Å²	52	3%	0.026	27%	0.268	C	S	.	.			trans	-80.9	132.8	176.9	-52.7	-179.7	0	0	0	111.2	F138 V160 Y187 Y214 T215 P255	F138-L162 HydrophobicContact CE2-CD2 3.55Å; F138-L162 HydrophobicContact CZ-CD2 3.6Å; V160-L162 PolarHBondContact O-N 2.86Å; L162-Y187 WeakPolarHBondContact O-CE1 3.13Å; L162-Y187 PolarHBondContact O-OH 3.26Å; L162-Y214 HydrophobicContact CD1-CD2 4.27Å; L162-Y214 HydrophobicContact CD2-CD2 4.31Å; L162-T215 WeakPolarHBondContact CA-O 3.32Å; L162-P255 HydrophobicContact CD1-CG 3.97Å
163	K	89.9	Confident	91.1	Very high	144 Å²	144	51.9 Å²	51.9	63%	0.626	27%	0.266	S	S	*	.	B	Isolated β-bridge	trans	-94.6	127.9	173.8	-63.2	-175.4	175.7	-168.1	0	110.6	Y214 T215	K163-Y214 CarbonylContact O-C 3.53Å; K163-Y214 VanDerWaalsContact O-CA 3.26Å; K163-Y214 WeakPolarHBondContact O-CA 3.36Å; K163-T215 PolarHBondContact N-O 3.47Å; K163-T215 PolarHBondContact O-N 3.47Å
164	I	91.9	Very high	90.9	Very high	17 Å²	17	48.3 Å²	48.3	9%	0.087	26%	0.258	C	S	.	.			trans	-137.2	134.9	178.4	-52.4	157.1	0	0	0	106	Y187 L194 L212 P255	I164-Y187 WeakPolarHBondContact CB-OH 3.28Å; I164-Y187 PolarHBondContact N-OH 2.9Å; I164-L194 HydrophobicContact CD1-CD1 3.88Å; I164-L194 HydrophobicContact CD1-CD2 3.51Å; I164-L194 HydrophobicContact CD1-CG 4.31Å; I164-L212 HydrophobicContact CD1-CD1 4.36Å; I164-L212 HydrophobicContact CG2-CD2 4.32Å; I164-P255 HydrophobicContact CD1-CB 4.13Å; I164-P255 HydrophobicContact CD1-CG 3.63Å; I164-P255 HydrophobicContact CG1-CG 4.32Å
165	S	89.2	Confident	90.8	Very high	40 Å²	40	50.5 Å²	50.5	28%	0.28	27%	0.268	S	S	.	.			trans	-106.5	163.6	168.6	64.3	0	0	0	0	111.4	E167 Q168	S165-E167 VanDerWaalsContact C-N 3.26Å; S165-E167 PolarHBondContact O-N 3.43Å; S165-Q168 WeakPolarHBondContact O-CB 3.49Å; S165-Q168 PolarHBondContact O-N 3.13Å; S165-Q168 VanDerWaalsContact OG-CG 3.3Å; S165-Q168 WeakPolarHBondContact OG-CG 3.49Å; S165-Q168 PolarHBondContact OG-N 3.11Å
166	L	90.3	Very high	90.8	Very high	70 Å²	70	54.3 Å²	54.3	37%	0.366	29%	0.291	S	S	.	.	G	3₁₀ helix	trans	-59.7	-39	174.2	-175.2	62.8	0	0	0	111.7	Q168 A169 L182 V185	L166-Q168 PolarHBondContact O-N 3.02Å; L166-Q168 VanDerWaalsContact O-N 3.15Å; L166-A169 PolarHBondContact O-N 3.44Å; L166-L182 HydrophobicContact CD1-CB 3.65Å; L166-V185 HydrophobicContact CB-CG2 3.84Å; L166-V185 HydrophobicContact CD1-CG2 3.57Å; L166-V185 HydrophobicContact CG-CG2 4.31Å
167	E	90.7	Very high	90.9	Very high	189 Å²	189	62.9 Å²	62.9	88%	0.883	32%	0.323	S	S	*	.	G	3₁₀ helix	trans	-62.3	-16.7	174.2	-58.6	166.2	178.7	0	0	113.8	S165	S165-E167 VanDerWaalsContact C-N 3.26Å; S165-E167 PolarHBondContact O-N 3.43Å
168	Q	91.3	Very high	91.1	Very high	81 Å²	81	68.6 Å²	68.6	38%	0.379	34%	0.344	S	S	.	.	G	3₁₀ helix	trans	-100.4	5.6	177.7	-73.6	172.2	-5.5	0	0	112.2	S165 L166 L212 A213	S165-Q168 WeakPolarHBondContact O-CB 3.49Å; S165-Q168 PolarHBondContact O-N 3.13Å; S165-Q168 VanDerWaalsContact OG-CG 3.3Å; S165-Q168 WeakPolarHBondContact OG-CG 3.49Å; S165-Q168 PolarHBondContact OG-N 3.11Å; L166-Q168 PolarHBondContact O-N 3.02Å; L166-Q168 VanDerWaalsContact O-N 3.15Å; Q168-L212 CarbonylContact O-C 3.56Å; Q168-L212 VanDerWaalsContact O-CA 3.28Å; Q168-L212 WeakPolarHBondContact O-CA 3.29Å; Q168-A213 HydrophobicContact CB-CB 4.05Å; Q168-A213 HydrophobicContact CG-CB 4.18Å; Q168-A213 PolarHBondContact O-N 3.08Å
169	A	94	Very high	91.4	Very high	13 Å²	13	71.1 Å²	71.1	11%	0.107	37%	0.368	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.1	120.1	-176.7	0	0	0	0	0	111.3	L166 L182 L196 T211 L212	L166-A169 PolarHBondContact O-N 3.44Å; A169-L182 HydrophobicContact CB-CD1 3.57Å; A169-L196 HydrophobicContact CB-CD2 4.37Å; A169-T211 CarbonylContact C-O 3.53Å; A169-T211 WeakPolarHBondContact CA-O 3.29Å; A169-L212 HydrophobicContact CB-CD2 3.38Å
170	E	95.2	Very high	91.7	Very high	123 Å²	123	71.8 Å²	71.8	58%	0.575	37%	0.371	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-117.5	140.3	178.7	-54.7	171.6	155.9	0	0	109	L210 T211	E170-L210 CarbonylContact O-C 3.54Å; E170-L210 VanDerWaalsContact O-CA 3.31Å; E170-L210 WeakPolarHBondContact O-CA 3.45Å; E170-T211 PolarHBondContact N-O 2.87Å; E170-T211 PolarHBondContact O-N 3.11Å; E170-T211 WeakPolarHBondContact OE2-CB 3.46Å; E170-T211 PolarHBondContact OE2-OG1 2.9Å
171	L	96.7	Very high	92.2	Very high	5 Å²	5	76.8 Å²	76.8	3%	0.026	39%	0.393	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.6	135.9	169.2	-177.8	65.5	0	0	0	109.1	I155 A179 I180 L182 A198 M202 L210	I155-L171 HydrophobicContact CD1-CD1 3.54Å; I155-L171 HydrophobicContact CD1-CD2 3.72Å; I155-L171 HydrophobicContact CD1-CG 4.26Å; L171-A179 WeakPolarHBondContact O-CA 3.07Å; L171-I180 HydrophobicContact CB-CB 4.47Å; L171-I180 HydrophobicContact CD2-CB 4.14Å; L171-I180 HydrophobicContact CD2-CG2 4.05Å; L171-I180 HydrophobicContact CG-CB 4.22Å; L171-I180 PolarHBondContact O-N 3.04Å; L171-L182 HydrophobicContact CB-CD1 4.35Å; L171-L182 HydrophobicContact CB-CD2 4.02Å; L171-L182 HydrophobicContact CB-CG 4.05Å; L171-L182 HydrophobicContact CD2-CD2 3.97Å; L171-A198 HydrophobicContact CD2-CB 3.87Å; L171-M202 HydrophobicContact CD2-SD 4.39Å; L171-L210 HydrophobicContact CB-CD1 4.35Å; L171-L210 HydrophobicContact CD1-CB 4.04Å; L171-L210 HydrophobicContact CD1-CD1 4.18Å
172	Q	96	Very high	92.8	Very high	59 Å²	59	74.1 Å²	74.1	28%	0.276	36%	0.361	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.6	152.7	173.3	61.5	-177.6	-16.9	0	0	111	R178 Y208 T209	Q172-R178 CarbonylContact C-O 3.43Å; Q172-R178 VanDerWaalsContact CA-O 3.25Å; Q172-R178 WeakPolarHBondContact CA-O 3.37Å; Q172-Y208 CarbonylContact O-C 3.56Å; Q172-Y208 WeakPolarHBondContact O-CA 3.47Å; Q172-T209 PolarHBondContact N-O 3.36Å; Q172-T209 PolarHBondContact O-N 3.01Å
173	E	95.2	Very high	93	Very high	13 Å²	13	77.2 Å²	77.2	6%	0.061	38%	0.381	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.7	130.1	163.6	177.4	174.6	-140.7	0	0	109.6	T176 R177 R178 R206 Y208	E173-T176 WeakPolarHBondContact CB-OG1 3.38Å; E173-T176 VanDerWaalsContact CD-OG1 3.24Å; E173-T176 HydrophobicContact CG-CG2 4.18Å; E173-T176 WeakPolarHBondContact CG-OG1 3.43Å; E173-T176 WeakPolarHBondContact OE2-CB 3.35Å; E173-T176 WeakPolarHBondContact OE2-CG2 3.48Å; E173-T176 PolarHBondContact OE2-OG1 2.95Å; E173-R177 WeakPolarHBondContact O-CA 3.13Å; E173-R177 PolarHBondContact O-N 3.09Å; E173-R178 HydrophobicContact CB-CB 4.32Å; E173-R178 PolarHBondContact N-O 3.13Å; E173-R206 WeakPolarHBondContact OE1-CD 3.47Å; E173-R206 IonicContact OE1-CZ 2.7Å; E173-R206 IonicContact OE1-NE 3.65Å; E173-R206 IonicContact OE1-NH1 3.17Å; E173-R206 PolarHBondContact OE1-NH1 2.58Å; E173-Y208 HydrophobicContact CB-CD1 4.16Å; E173-Y208 HydrophobicContact CB-CE1 3.96Å; E173-Y208 HydrophobicContact CG-CE1 4.34Å
174	T	91.4	Very high	93.2	Very high	44 Å²	44	73.5 Å²	73.5	27%	0.27	37%	0.368	S	S	.	.	T	Hydrogen-bonded Turn	trans	-69.9	-42.7	-167.4	-62.1	0	0	0	0	112.4	N207 Y208 T209	T174-N207 PolarHBondContact N-O 2.95Å; T174-Y208 VanDerWaalsContact OG1-CA 3.31Å; T174-Y208 WeakPolarHBondContact OG1-CA 3.41Å; T174-Y208 PolarHBondContact OG1-N 2.88Å; T174-Y208 PolarHBondContact OG1-O 3.35Å; T174-T209 PolarHBondContact OG1-N 3.48Å; T174-T209 PolarHBondContact OG1-OG1 3.19Å
175	E	90.7	Very high	93.2	Very high	116 Å²	116	74 Å²	74	54%	0.542	37%	0.372	S	S	.	.	T	Hydrogen-bonded Turn	trans	-72	-40.7	-177.1	-67.6	76.2	-171.1	0	0	112.5	N207	E175-N207 WeakPolarHBondContact OE1-CB 3.23Å; E175-N207 PolarHBondContact OE1-ND2 3.22Å
176	T	92.4	Very high	93.4	Very high	80 Å²	80	75 Å²	75	49%	0.491	38%	0.376	S	S	.	.	T	Hydrogen-bonded Turn	trans	-96.4	-17.9	-173.7	68.4	0	0	0	0	113.4	E173 R178	E173-T176 WeakPolarHBondContact CB-OG1 3.38Å; E173-T176 VanDerWaalsContact CD-OG1 3.24Å; E173-T176 HydrophobicContact CG-CG2 4.18Å; E173-T176 WeakPolarHBondContact CG-OG1 3.43Å; E173-T176 WeakPolarHBondContact OE2-CB 3.35Å; E173-T176 WeakPolarHBondContact OE2-CG2 3.48Å; E173-T176 PolarHBondContact OE2-OG1 2.95Å; T176-R178 PolarHBondContact O-N 3.38Å; T176-R178 WeakPolarHBondContact OG1-CB 3.32Å; T176-R178 PolarHBondContact OG1-N 2.86Å
177	R	91.7	Very high	93.3	Very high	201 Å²	201	75.9 Å²	75.9	76%	0.758	38%	0.375	S	S	*	.			trans	56	23.7	-166.2	-55.2	-177	-179.2	-173.7	-1.5	113.8	E173 A179	E173-R177 WeakPolarHBondContact O-CA 3.13Å; E173-R177 PolarHBondContact O-N 3.09Å; R177-A179 PolarHBondContact O-N 3.1Å
178	R	93.2	Very high	93	Very high	120 Å²	120	69.5 Å²	69.5	45%	0.453	35%	0.345	S	S	.	.			trans	-68.4	113	172.6	178.3	-177.7	170	-146.7	-11	109.1	Q172 E173 T176	Q172-R178 CarbonylContact C-O 3.43Å; Q172-R178 VanDerWaalsContact CA-O 3.25Å; Q172-R178 WeakPolarHBondContact CA-O 3.37Å; E173-R178 HydrophobicContact CB-CB 4.32Å; E173-R178 PolarHBondContact N-O 3.13Å; T176-R178 PolarHBondContact O-N 3.38Å; T176-R178 WeakPolarHBondContact OG1-CB 3.32Å; T176-R178 PolarHBondContact OG1-N 2.86Å
179	A	94.2	Very high	92.4	Very high	74 Å²	74	71.6 Å²	71.6	61%	0.612	36%	0.364	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-61.6	142.4	171.9	0	0	0	0	0	111.5	L171 R177	L171-A179 WeakPolarHBondContact O-CA 3.07Å; R177-A179 PolarHBondContact O-N 3.1Å
180	I	94.5	Very high	91.3	Very high	17 Å²	17	74.7 Å²	74.7	9%	0.087	38%	0.384	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.9	123.9	176	-61.2	176.5	0	0	0	106.2	L171 L182 A198 Y208	L171-I180 HydrophobicContact CB-CB 4.47Å; L171-I180 HydrophobicContact CD2-CB 4.14Å; L171-I180 HydrophobicContact CD2-CG2 4.05Å; L171-I180 HydrophobicContact CG-CB 4.22Å; L171-I180 PolarHBondContact O-N 3.04Å; I180-L182 PolarHBondContact O-N 3.3Å; I180-A198 HydrophobicContact CG2-CB 4.08Å; I180-Y208 HydrophobicContact CD1-CD1 3.83Å; I180-Y208 HydrophobicContact CD1-CE1 3.52Å
181	Q	94.7	Very high	90.4	Very high	130 Å²	130	68.9 Å²	68.9	61%	0.607	36%	0.357	S	S	*	.			trans	-69.8	136.3	-177.8	-64.2	-63.3	-6.3	0	0	110.8	A198 E199	Q181-A198 WeakPolarHBondContact O-CA 3.41Å; Q181-E199 HydrophobicContact CB-CB 4.31Å; Q181-E199 PolarHBondContact O-N 3Å
182	L	95.6	Very high	89.8	Confident	15 Å²	15	69.5 Å²	69.5	8%	0.079	36%	0.36	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88	133	165.1	-64.8	174.1	0	0	0	108.3	L166 A169 L171 I180 L196 E197 A198 L210	L166-L182 HydrophobicContact CD1-CB 3.65Å; A169-L182 HydrophobicContact CB-CD1 3.57Å; L171-L182 HydrophobicContact CB-CD1 4.35Å; L171-L182 HydrophobicContact CB-CD2 4.02Å; L171-L182 HydrophobicContact CB-CG 4.05Å; L171-L182 HydrophobicContact CD2-CD2 3.97Å; I180-L182 PolarHBondContact O-N 3.3Å; L182-L196 HydrophobicContact CD2-CB 4.49Å; L182-E197 CarbonylContact C-O 3.55Å; L182-E197 WeakPolarHBondContact CA-O 3.3Å; L182-E197 WeakPolarHBondContact CD2-O 3.34Å; L182-A198 HydrophobicContact CD2-CB 4.16Å; L182-L210 HydrophobicContact CD1-CD1 3.91Å
183	T	94.3	Very high	89.4	Confident	70 Å²	70	68.2 Å²	68.2	43%	0.429	35%	0.353	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.9	-25.9	-178.7	51.4	0	0	0	0	112.5	E197 E199	T183-E197 PolarHBondContact N-O 2.82Å; T183-E197 WeakPolarHBondContact OG1-CG 3.43Å; T183-E197 PolarHBondContact OG1-O 2.7Å; T183-E199 HydrophobicContact CG2-CB 3.9Å; T183-E199 HydrophobicContact CG2-CG 4.39Å
184	N	93.5	Very high	89.2	Confident	67 Å²	67	67.6 Å²	67.6	36%	0.358	35%	0.35	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-154	148.5	-169.6	-160.7	1.2	0	0	0	112.7	T186 L196 E197	N184-T186 WeakPolarHBondContact OD1-CG2 3.46Å; N184-L196 WeakPolarHBondContact O-CA 3.43Å; N184-E197 HydrophobicContact CB-CB 3.92Å; N184-E197 PolarHBondContact O-N 3.13Å; N184-E197 VanDerWaalsContact O-N 3.07Å
185	V	92.6	Very high	89.3	Confident	28 Å²	28	67.3 Å²	67.3	17%	0.17	35%	0.346	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.3	115.2	169.2	-172.9	0	0	0	0	108.2	L166 Y187 L194 L196	L166-V185 HydrophobicContact CB-CG2 3.84Å; L166-V185 HydrophobicContact CD1-CG2 3.57Å; L166-V185 HydrophobicContact CG-CG2 4.31Å; V185-Y187 HydrophobicContact CG1-CE2 4.38Å; V185-L194 HydrophobicContact CG1-CD1 3.59Å; V185-L194 HydrophobicContact CG1-CG 4.31Å; V185-L196 HydrophobicContact CB-CD2 4.17Å; V185-L196 HydrophobicContact CG1-CD2 3.79Å; V185-L196 HydrophobicContact CG2-CD2 3.68Å
186	T	92.4	Very high	89.5	Confident	59 Å²	59	61.8 Å²	61.8	36%	0.362	32%	0.321	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.3	154.1	179.1	59.2	0	0	0	0	111.4	N184 L194 I195	N184-T186 WeakPolarHBondContact OD1-CG2 3.46Å; T186-L194 CarbonylContact O-C 3.57Å; T186-L194 WeakPolarHBondContact O-CA 3.06Å; T186-I195 PolarHBondContact N-O 2.91Å; T186-I195 PolarHBondContact O-N 2.66Å; T186-I195 PolarHBondContact OG1-O 2.91Å
187	Y	88.8	Confident	89.6	Confident	89 Å²	89	60.8 Å²	60.8	35%	0.349	31%	0.311	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.8	112.9	179.5	-77.2	-101.9	0	0	0	109.7	L162 I164 V185 T189 R193 L194	L162-Y187 WeakPolarHBondContact O-CE1 3.13Å; L162-Y187 PolarHBondContact O-OH 3.26Å; I164-Y187 WeakPolarHBondContact CB-OH 3.28Å; I164-Y187 PolarHBondContact N-OH 2.9Å; V185-Y187 HydrophobicContact CG1-CE2 4.38Å; Y187-T189 PolarHBondContact O-N 3.26Å; Y187-R193 CarbonylContact C-O 3.43Å; Y187-R193 WeakPolarHBondContact CA-O 3.43Å; Y187-L194 HydrophobicContact CD1-CD1 4.01Å; Y187-L194 HydrophobicContact CD2-CD1 3.9Å; Y187-L194 HydrophobicContact CE1-CD1 3.74Å; Y187-L194 HydrophobicContact CE2-CD1 3.58Å; Y187-L194 HydrophobicContact CG-CD1 4.12Å
188	E	85	Confident	89.8	Confident	56 Å²	56	51.2 Å²	51.2	26%	0.262	27%	0.274	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.1	91.8	171.4	-166.8	-161.7	161.3	0	0	108.7	S190 A191 Q192 R193	E188-S190 VanDerWaalsContact C-N 3.31Å; E188-S190 PolarHBondContact O-N 3.37Å; E188-S190 PolarHBondContact OE1-OG 2.95Å; E188-A191 HydrophobicContact CG-CB 4.16Å; E188-A191 PolarHBondContact O-N 2.68Å; E188-A191 VanDerWaalsContact OE1-CB 3.23Å; E188-A191 WeakPolarHBondContact OE1-CB 3.29Å; E188-A191 WeakPolarHBondContact OE2-CB 3.41Å; E188-Q192 WeakPolarHBondContact O-CA 3.43Å; E188-Q192 PolarHBondContact O-N 2.89Å; E188-R193 HydrophobicContact CB-CB 4.22Å; E188-R193 PolarHBondContact N-O 3.15Å; E188-R193 PolarHBondContact O-N 3.23Å; E188-R193 IonicContact OE2-NH1 2.87Å
189	T	78.6	Confident	89.9	Confident	125 Å²	125	50.2 Å²	50.2	77%	0.767	28%	0.275	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.6	-32.5	-173.5	53	0	0	0	0	113.4	Y187 Q192	Y187-T189 PolarHBondContact O-N 3.26Å; T189-Q192 PolarHBondContact O-N 2.99Å
190	S	71.5	Confident	89.8	Confident	77 Å²	77	50.6 Å²	50.6	54%	0.538	26%	0.264	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62.6	-48.4	176.8	39.3	0	0	0	0	113.2	E188 S482	E188-S190 VanDerWaalsContact C-N 3.31Å; E188-S190 PolarHBondContact O-N 3.37Å; E188-S190 PolarHBondContact OE1-OG 2.95Å; S190-S482 PolarHBondContact O-OG 3.22Å
191	A	75.9	Confident	89.7	Confident	1 Å²	1	51.8 Å²	51.8	1%	0.008	27%	0.273	C	S	.	.	T	Hydrogen-bonded Turn	trans	-88.6	-1.7	177.8	0	0	0	0	0	113.6	E188 R193	E188-A191 HydrophobicContact CG-CB 4.16Å; E188-A191 PolarHBondContact O-N 2.68Å; E188-A191 VanDerWaalsContact OE1-CB 3.23Å; E188-A191 WeakPolarHBondContact OE1-CB 3.29Å; E188-A191 WeakPolarHBondContact OE2-CB 3.41Å; A191-R193 HydrophobicContact CB-CG 3.98Å
192	Q	84.4	Confident	89.8	Confident	19 Å²	19	45.6 Å²	45.6	9%	0.089	24%	0.244	C	C	.	.	T	Hydrogen-bonded Turn	trans	58.7	43.3	-176.9	-61.6	178.2	-17.9	0	0	112.9	S159 V160 E188 T189 R251	S159-Q192 PolarHBondContact N-O 3.11Å; S159-Q192 VanDerWaalsContact N-O 3.12Å; V160-Q192 HydrophobicContact CG2-CB 3.54Å; V160-Q192 HydrophobicContact CG2-CG 3.69Å; E188-Q192 WeakPolarHBondContact O-CA 3.43Å; E188-Q192 PolarHBondContact O-N 2.89Å; T189-Q192 PolarHBondContact O-N 2.99Å; Q192-R251 PolarHBondContact O-NH1 3.16Å; Q192-R251 VanDerWaalsContact O-NH1 3.09Å
193	R	87	Confident	89.7	Confident	31 Å²	31	48.6 Å²	48.6	12%	0.117	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.7	147.6	-175.4	-66.3	168.9	176.2	-175.3	-7.6	112.9	Y104 R105 I156 L157 Y187 E188 A191	Y104-R193 PolarHBondContact O-NH2 2.92Å; R105-R193 PolarHBondContact O-NH2 3.22Å; I156-R193 HydrophobicContact CG2-CB 4.2Å; I156-R193 HydrophobicContact CG2-CG 4.08Å; L157-R193 CarbonylContact O-C 3.46Å; L157-R193 VanDerWaalsContact O-CA 3.22Å; L157-R193 WeakPolarHBondContact O-CA 3.35Å; Y187-R193 CarbonylContact C-O 3.43Å; Y187-R193 WeakPolarHBondContact CA-O 3.43Å; E188-R193 HydrophobicContact CB-CB 4.22Å; E188-R193 PolarHBondContact N-O 3.15Å; E188-R193 PolarHBondContact O-N 3.23Å; E188-R193 IonicContact OE2-NH1 2.87Å; A191-R193 HydrophobicContact CB-CG 3.98Å
194	L	91.5	Very high	89.6	Confident	0 Å²	0	50.8 Å²	50.8	0%	0	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.5	137.6	158.2	-172.7	77.1	0	0	0	107.5	I156 L157 I164 V185 T186 Y187 L196 L212	I156-L194 CarbonylContact C-O 3.5Å; I156-L194 WeakPolarHBondContact CA-O 3.44Å; L157-L194 HydrophobicContact CB-CB 4.17Å; L157-L194 HydrophobicContact CB-CD2 4.42Å; L157-L194 HydrophobicContact CD1-CD2 4.01Å; L157-L194 HydrophobicContact CG-CD2 4.3Å; L157-L194 PolarHBondContact N-O 2.96Å; L157-L194 PolarHBondContact O-N 3.22Å; I164-L194 HydrophobicContact CD1-CD1 3.88Å; I164-L194 HydrophobicContact CD1-CD2 3.51Å; I164-L194 HydrophobicContact CD1-CG 4.31Å; V185-L194 HydrophobicContact CG1-CD1 3.59Å; V185-L194 HydrophobicContact CG1-CG 4.31Å; T186-L194 CarbonylContact O-C 3.57Å; T186-L194 WeakPolarHBondContact O-CA 3.06Å; Y187-L194 HydrophobicContact CD1-CD1 4.01Å; Y187-L194 HydrophobicContact CD2-CD1 3.9Å; Y187-L194 HydrophobicContact CE1-CD1 3.74Å; Y187-L194 HydrophobicContact CE2-CD1 3.58Å; Y187-L194 HydrophobicContact CG-CD1 4.12Å; L194-L196 HydrophobicContact CD2-CD1 4Å; L194-L196 HydrophobicContact CD2-CD2 4.07Å; L194-L196 HydrophobicContact CD2-CG 3.99Å; L194-L196 HydrophobicContact CG-CD2 4.41Å; L194-L196 HydrophobicContact CG-CG 4.27Å; L194-L212 HydrophobicContact CD2-CD1 3.94Å
195	I	92.6	Very high	89.5	Confident	38 Å²	38	50.3 Å²	50.3	20%	0.195	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.8	117.9	173	-49.3	-179.5	0	0	0	108.2	H154 I156 T186	H154-I195 HydrophobicContact CB-CG2 4.47Å; I156-I195 HydrophobicContact CG1-CG1 4.2Å; I156-I195 HydrophobicContact CG1-CG2 4.1Å; I156-I195 HydrophobicContact CG2-CG1 4.46Å; T186-I195 PolarHBondContact N-O 2.91Å; T186-I195 PolarHBondContact O-N 2.66Å; T186-I195 PolarHBondContact OG1-O 2.91Å
196	L	94.9	Very high	89.6	Confident	0 Å²	0	53.4 Å²	53.4	0%	0	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104	137.7	177.5	-57.9	158.4	0	0	0	107.9	H154 I155 L157 A169 L182 N184 V185 L194 L210 L212	H154-L196 WeakPolarHBondContact CA-O 3.21Å; I155-L196 HydrophobicContact CB-CB 4.21Å; I155-L196 HydrophobicContact CB-CD1 4.46Å; I155-L196 HydrophobicContact CG2-CD1 4.28Å; I155-L196 PolarHBondContact N-O 2.94Å; I155-L196 WeakPolarHBondContact O-CB 3.37Å; I155-L196 PolarHBondContact O-N 2.98Å; L157-L196 HydrophobicContact CD1-CD1 4.41Å; L157-L196 HydrophobicContact CG-CD1 4.43Å; A169-L196 HydrophobicContact CB-CD2 4.37Å; L182-L196 HydrophobicContact CD2-CB 4.49Å; N184-L196 WeakPolarHBondContact O-CA 3.43Å; V185-L196 HydrophobicContact CB-CD2 4.17Å; V185-L196 HydrophobicContact CG1-CD2 3.79Å; V185-L196 HydrophobicContact CG2-CD2 3.68Å; L194-L196 HydrophobicContact CD2-CD1 4Å; L194-L196 HydrophobicContact CD2-CD2 4.07Å; L194-L196 HydrophobicContact CD2-CG 3.99Å; L194-L196 HydrophobicContact CG-CD2 4.41Å; L194-L196 HydrophobicContact CG-CG 4.27Å; L196-L210 HydrophobicContact CD1-CD1 3.82Å; L196-L210 HydrophobicContact CD1-CD2 3.55Å; L196-L210 HydrophobicContact CD1-CG 4.3Å; L196-L212 HydrophobicContact CD1-CD1 4.28Å; L196-L212 HydrophobicContact CD1-CD2 4.02Å; L196-L212 HydrophobicContact CD2-CD2 4.3Å
197	E	95.8	Very high	89.8	Confident	60 Å²	60	52.4 Å²	52.4	28%	0.28	28%	0.277	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.6	131.4	179.3	-170.7	-179	159.9	0	0	110.3	R153 L182 T183 N184	R153-E197 HydrophobicContact CB-CG 4.49Å; L182-E197 CarbonylContact C-O 3.55Å; L182-E197 WeakPolarHBondContact CA-O 3.3Å; L182-E197 WeakPolarHBondContact CD2-O 3.34Å; T183-E197 PolarHBondContact N-O 2.82Å; T183-E197 WeakPolarHBondContact OG1-CG 3.43Å; T183-E197 PolarHBondContact OG1-O 2.7Å; N184-E197 HydrophobicContact CB-CB 3.92Å; N184-E197 PolarHBondContact O-N 3.13Å; N184-E197 VanDerWaalsContact O-N 3.07Å
198	A	95.2	Very high	90.1	Very high	0 Å²	0	48.4 Å²	48.4	0%	0	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.6	142.2	175.4	0	0	0	0	0	111.4	R153 L171 I180 Q181 L182 Q200	R153-A198 WeakPolarHBondContact CB-O 3.19Å; R153-A198 WeakPolarHBondContact CD-O 3.5Å; R153-A198 PolarHBondContact O-N 3.2Å; L171-A198 HydrophobicContact CD2-CB 3.87Å; I180-A198 HydrophobicContact CG2-CB 4.08Å; Q181-A198 WeakPolarHBondContact O-CA 3.41Å; L182-A198 HydrophobicContact CD2-CB 4.16Å; A198-Q200 VanDerWaalsContact C-N 3.26Å; A198-Q200 PolarHBondContact O-N 2.79Å
199	E	93.9	Very high	90.5	Very high	98 Å²	98	46.7 Å²	46.7	46%	0.458	26%	0.255	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-57.1	-40.9	177.5	-173.1	-168.2	179.4	0	0	112	R153 Q181 T183	R153-E199 PolarHBondContact NH1-O 3.26Å; Q181-E199 HydrophobicContact CB-CB 4.31Å; Q181-E199 PolarHBondContact O-N 3Å; T183-E199 HydrophobicContact CG2-CB 3.9Å; T183-E199 HydrophobicContact CG2-CG 4.39Å
200	Q	93.1	Very high	91.3	Very high	82 Å²	82	40.7 Å²	40.7	38%	0.383	22%	0.218	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.3	142.6	-178.6	-59	-172.9	6.1	0	0	109.9	A198	A198-Q200 VanDerWaalsContact C-N 3.26Å; A198-Q200 PolarHBondContact O-N 2.79Å
201	P	93.1	Very high	92.4	Very high	42 Å²	42	37.7 Å²	37.7	27%	0.273	20%	0.197	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-69	134.9	179	29.5	-33.9	0	0	0	111	Q151 T152 R153	Q151-P201 HydrophobicContact CG-CB 3.92Å; T152-P201 CarbonylContact O-C 3.6Å; T152-P201 WeakPolarHBondContact O-CA 3.29Å; R153-P201 HydrophobicContact CG-CB 4.01Å
202	M	95.3	Very high	93.2	Very high	0 Å²	0	37.7 Å²	37.7	0%	0	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-65.3	130.5	170.3	-70.3	167.7	-73.2	0	0	109.8	V110 C148 Q151 T152 I155 L171 Y208	V110-M202 HydrophobicContact CG2-CE 3.82Å; V110-M202 HydrophobicContact CG2-SD 4.34Å; C148-M202 HydrophobicContact CB-CB 4.04Å; C148-M202 PolarHBondContact SG-O 3.26Å; Q151-M202 WeakPolarHBondContact CA-O 3.13Å; Q151-M202 WeakPolarHBondContact CG-O 3.44Å; T152-M202 HydrophobicContact CG2-CE 3.79Å; T152-M202 WeakPolarHBondContact O-CE 3.4Å; T152-M202 PolarHBondContact O-N 2.69Å; I155-M202 HydrophobicContact CD1-CE 4.04Å; I155-M202 HydrophobicContact CD1-SD 3.8Å; I155-M202 HydrophobicContact CG1-CE 3.49Å; I155-M202 VanDerWaalsContact CG1-CE 3.49Å; I155-M202 HydrophobicContact CG1-SD 3.87Å; L171-M202 HydrophobicContact CD2-SD 4.39Å; M202-Y208 HydrophobicContact CB-CD2 3.94Å; M202-Y208 HydrophobicContact CB-CE1 4.43Å; M202-Y208 HydrophobicContact CB-CE2 3.49Å; M202-Y208 VanDerWaalsContact CB-CE2 3.49Å; M202-Y208 HydrophobicContact CG-CD1 4.08Å; M202-Y208 HydrophobicContact CG-CD2 3.8Å; M202-Y208 HydrophobicContact CG-CE1 4.07Å; M202-Y208 HydrophobicContact CG-CE2 3.78Å; M202-Y208 HydrophobicContact CG-CG 3.97Å; M202-Y208 HydrophobicContact SD-CD2 4.02Å; M202-Y208 HydrophobicContact SD-CG 4.12Å
203	E	93.3	Very high	93.7	Very high	78 Å²	78	38.6 Å²	38.6	36%	0.364	21%	0.207	S	C	.	.	P	Polyproline II helix	trans	-79.1	142	-177.9	-68.4	179.7	-136	0	0	111.8	C148 R206 Y208	C148-E203 VanDerWaalsContact CB-O 3.24Å; C148-E203 WeakPolarHBondContact CB-O 3.46Å; E203-R206 HydrophobicContact CB-CG 3.97Å; E203-R206 VanDerWaalsContact CD-NE 3.3Å; E203-R206 PolarHBondContact O-N 3.32Å; E203-R206 IonicContact OE1-CZ 2.68Å; E203-R206 IonicContact OE1-NE 3.98Å; E203-R206 IonicContact OE1-NH2 2.76Å; E203-R206 PolarHBondContact OE1-NH2 3.38Å; E203-R206 VanDerWaalsContact OE1-NH2 3.1Å; E203-R206 IonicContact OE2-CZ 2.67Å; E203-R206 IonicContact OE2-NE 2.7Å; E203-R206 PolarHBondContact OE2-NE 2.97Å; E203-R206 IonicContact OE2-NH2 2.71Å; E203-R206 PolarHBondContact OE2-NH2 2.89Å; E203-Y208 PolarHBondContact N-OH 3.41Å
204	I	93.8	Very high	94	Very high	116 Å²	116	37.2 Å²	37.2	60%	0.595	20%	0.202	S	C	*	.	T	Hydrogen-bonded Turn	trans	-60.5	137.3	179.3	-171.7	169.3	0	0	0	111.8	T149 R206	T149-I204 VanDerWaalsContact O-CD1 3.31Å; T149-I204 WeakPolarHBondContact O-CD1 3.43Å; I204-R206 PolarHBondContact O-N 3.1Å
205	G	91.4	Very high	94	Very high	57 Å²	57	39.5 Å²	39.5	59%	0.588	22%	0.216	S	C	*	.	T	Hydrogen-bonded Turn	trans	79.6	-8	179.5	0	0	0	0	0	115.3	C148	C148-G205 PolarHBondContact O-N 3.07Å
206	R	95	Very high	93.8	Very high	93 Å²	93	37.9 Å²	37.9	35%	0.351	21%	0.209	S	C	.	.			trans	-87	156.7	174.5	-56.7	-155.8	-165.9	-152.5	5.4	112.1	C148 E173 E203 I204 Y208	C148-R206 PolarHBondContact N-O 3.19Å; E173-R206 WeakPolarHBondContact OE1-CD 3.47Å; E173-R206 IonicContact OE1-CZ 2.7Å; E173-R206 IonicContact OE1-NE 3.65Å; E173-R206 IonicContact OE1-NH1 3.17Å; E173-R206 PolarHBondContact OE1-NH1 2.58Å; E203-R206 HydrophobicContact CB-CG 3.97Å; E203-R206 VanDerWaalsContact CD-NE 3.3Å; E203-R206 PolarHBondContact O-N 3.32Å; E203-R206 IonicContact OE1-CZ 2.68Å; E203-R206 IonicContact OE1-NE 3.98Å; E203-R206 IonicContact OE1-NH2 2.76Å; E203-R206 PolarHBondContact OE1-NH2 3.38Å; E203-R206 VanDerWaalsContact OE1-NH2 3.1Å; E203-R206 IonicContact OE2-CZ 2.67Å; E203-R206 IonicContact OE2-NE 2.7Å; E203-R206 PolarHBondContact OE2-NE 2.97Å; E203-R206 IonicContact OE2-NH2 2.71Å; E203-R206 PolarHBondContact OE2-NH2 2.89Å; I204-R206 PolarHBondContact O-N 3.1Å; R206-Y208 HydrophobicContact CB-CE2 3.77Å
207	N	94.8	Very high	93.5	Very high	39 Å²	39	40.4 Å²	40.4	21%	0.209	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.9	147.4	175	-58.4	-62.5	0	0	0	111.8	L146 T147 T174 E175	L146-N207 CarbonylContact O-C 3.45Å; L146-N207 VanDerWaalsContact O-CA 3.22Å; L146-N207 WeakPolarHBondContact O-CA 3.43Å; T147-N207 WeakPolarHBondContact CB-OD1 3.44Å; T147-N207 PolarHBondContact OG1-OD1 3.14Å; T174-N207 PolarHBondContact N-O 2.95Å; E175-N207 WeakPolarHBondContact OE1-CB 3.23Å; E175-N207 PolarHBondContact OE1-ND2 3.22Å
208	Y	95.4	Very high	93	Very high	5 Å²	5	38.1 Å²	38.1	2%	0.02	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.5	142.2	-178.8	-62.3	-81.3	0	0	0	110	V145 L146 C148 Q172 E173 T174 I180 M202 E203 R206	V145-Y208 CarbonylContact C-O 3.46Å; V145-Y208 WeakPolarHBondContact CA-O 3.48Å; L146-Y208 WeakPolarHBondContact CB-O 3.44Å; L146-Y208 PolarHBondContact N-O 2.8Å; L146-Y208 PolarHBondContact O-N 2.77Å; C148-Y208 HydrophobicContact CB-CD2 4.15Å; C148-Y208 HydrophobicContact CB-CE2 3.86Å; Q172-Y208 CarbonylContact O-C 3.56Å; Q172-Y208 WeakPolarHBondContact O-CA 3.47Å; E173-Y208 HydrophobicContact CB-CD1 4.16Å; E173-Y208 HydrophobicContact CB-CE1 3.96Å; E173-Y208 HydrophobicContact CG-CE1 4.34Å; T174-Y208 VanDerWaalsContact OG1-CA 3.31Å; T174-Y208 WeakPolarHBondContact OG1-CA 3.41Å; T174-Y208 PolarHBondContact OG1-N 2.88Å; T174-Y208 PolarHBondContact OG1-O 3.35Å; I180-Y208 HydrophobicContact CD1-CD1 3.83Å; I180-Y208 HydrophobicContact CD1-CE1 3.52Å; M202-Y208 HydrophobicContact CB-CD2 3.94Å; M202-Y208 HydrophobicContact CB-CE1 4.43Å; M202-Y208 HydrophobicContact CB-CE2 3.49Å; M202-Y208 VanDerWaalsContact CB-CE2 3.49Å; M202-Y208 HydrophobicContact CG-CD1 4.08Å; M202-Y208 HydrophobicContact CG-CD2 3.8Å; M202-Y208 HydrophobicContact CG-CE1 4.07Å; M202-Y208 HydrophobicContact CG-CE2 3.78Å; M202-Y208 HydrophobicContact CG-CG 3.97Å; M202-Y208 HydrophobicContact SD-CD2 4.02Å; M202-Y208 HydrophobicContact SD-CG 4.12Å; E203-Y208 PolarHBondContact N-OH 3.41Å; R206-Y208 HydrophobicContact CB-CE2 3.77Å
209	T	94.4	Very high	92.4	Very high	19 Å²	19	39.4 Å²	39.4	12%	0.117	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.7	110.9	171.9	-59	0	0	0	0	108.6	A143 I144 Q172 T174	A143-T209 HydrophobicContact CB-CG2 4.07Å; I144-T209 CarbonylContact O-C 3.26Å; I144-T209 VanDerWaalsContact O-CA 3.23Å; I144-T209 WeakPolarHBondContact O-CA 3.22Å; Q172-T209 PolarHBondContact N-O 3.36Å; Q172-T209 PolarHBondContact O-N 3.01Å; T174-T209 PolarHBondContact OG1-N 3.48Å; T174-T209 PolarHBondContact OG1-OG1 3.19Å
210	L	94.9	Very high	91.5	Very high	0 Å²	0	39.6 Å²	39.6	0%	0	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.3	119.5	170.4	177	88.7	0	0	0	109.1	A143 I144 L146 I155 L157 E170 L171 L182 L196 L212	A143-L210 CarbonylContact C-O 3.52Å; A143-L210 VanDerWaalsContact C-O 3.27Å; A143-L210 WeakPolarHBondContact CA-O 3.14Å; I144-L210 HydrophobicContact CB-CB 4.4Å; I144-L210 HydrophobicContact CD1-CD2 3.73Å; I144-L210 HydrophobicContact CG1-CD2 4.3Å; I144-L210 PolarHBondContact N-O 3.38Å; I144-L210 PolarHBondContact O-N 2.97Å; L146-L210 HydrophobicContact CD1-CB 3.89Å; I155-L210 HydrophobicContact CD1-CD1 4.04Å; I155-L210 HydrophobicContact CG2-CD2 4.15Å; L157-L210 HydrophobicContact CD1-CD2 4.09Å; L157-L210 HydrophobicContact CD2-CD2 4.47Å; E170-L210 CarbonylContact O-C 3.54Å; E170-L210 VanDerWaalsContact O-CA 3.31Å; E170-L210 WeakPolarHBondContact O-CA 3.45Å; L171-L210 HydrophobicContact CB-CD1 4.35Å; L171-L210 HydrophobicContact CD1-CB 4.04Å; L171-L210 HydrophobicContact CD1-CD1 4.18Å; L182-L210 HydrophobicContact CD1-CD1 3.91Å; L196-L210 HydrophobicContact CD1-CD1 3.82Å; L196-L210 HydrophobicContact CD1-CD2 3.55Å; L196-L210 HydrophobicContact CD1-CG 4.3Å; L210-L212 HydrophobicContact CD1-CD2 4.28Å; L210-L212 HydrophobicContact CD2-CD1 3.97Å; L210-L212 HydrophobicContact CD2-CD2 4.03Å; L210-L212 HydrophobicContact CD2-CG 3.82Å; L210-L212 HydrophobicContact CG-CD2 4.16Å; L210-L212 HydrophobicContact CG-CG 4.21Å
211	T	94.2	Very high	90.4	Very high	14 Å²	14	35.7 Å²	35.7	9%	0.086	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.7	133.6	168.9	-38.6	0	0	0	0	110.6	K141 V142 A143 A169 E170	K141-T211 HydrophobicContact CD-CG2 4.39Å; K141-T211 HydrophobicContact CG-CG2 4.15Å; V142-T211 CarbonylContact O-C 3.59Å; A143-T211 HydrophobicContact CB-CG2 4.12Å; A169-T211 CarbonylContact C-O 3.53Å; A169-T211 WeakPolarHBondContact CA-O 3.29Å; E170-T211 PolarHBondContact N-O 2.87Å; E170-T211 PolarHBondContact O-N 3.11Å; E170-T211 WeakPolarHBondContact OE2-CB 3.46Å; E170-T211 PolarHBondContact OE2-OG1 2.9Å
212	L	93.9	Very high	89.2	Confident	0 Å²	0	33.8 Å²	33.8	0%	0	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.3	129.6	170.2	-54	177.8	0	0	0	110.5	K141 V142 L157 I164 Q168 A169 L194 L196 L210 P255	K141-L212 CarbonylContact C-O 3.57Å; K141-L212 WeakPolarHBondContact CA-O 3.21Å; V142-L212 HydrophobicContact CG1-CB 3.79Å; V142-L212 HydrophobicContact CG1-CD1 4.17Å; V142-L212 HydrophobicContact CG1-CG 4.31Å; V142-L212 PolarHBondContact N-O 3.25Å; V142-L212 PolarHBondContact O-N 3.41Å; L157-L212 HydrophobicContact CD1-CD1 3.35Å; I164-L212 HydrophobicContact CD1-CD1 4.36Å; I164-L212 HydrophobicContact CG2-CD2 4.32Å; Q168-L212 CarbonylContact O-C 3.56Å; Q168-L212 VanDerWaalsContact O-CA 3.28Å; Q168-L212 WeakPolarHBondContact O-CA 3.29Å; A169-L212 HydrophobicContact CB-CD2 3.38Å; L194-L212 HydrophobicContact CD2-CD1 3.94Å; L196-L212 HydrophobicContact CD1-CD1 4.28Å; L196-L212 HydrophobicContact CD1-CD2 4.02Å; L196-L212 HydrophobicContact CD2-CD2 4.3Å; L210-L212 HydrophobicContact CD1-CD2 4.28Å; L210-L212 HydrophobicContact CD2-CD1 3.97Å; L210-L212 HydrophobicContact CD2-CD2 4.03Å; L210-L212 HydrophobicContact CD2-CG 3.82Å; L210-L212 HydrophobicContact CG-CD2 4.16Å; L210-L212 HydrophobicContact CG-CG 4.21Å; L212-P255 HydrophobicContact CD1-CB 3.95Å; L212-P255 HydrophobicContact CD1-CG 4.23Å
213	A	94.6	Very high	87.9	Confident	38 Å²	38	35 Å²	35	31%	0.314	21%	0.206	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.4	145.1	158	0	0	0	0	0	110	Q168	Q168-A213 HydrophobicContact CB-CB 4.05Å; Q168-A213 HydrophobicContact CG-CB 4.18Å; Q168-A213 PolarHBondContact O-N 3.08Å
214	Y	92.9	Very high	86.8	Confident	3 Å²	3	32.2 Å²	32.2	1%	0.012	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.8	161.1	-177.5	62.2	-92	0	0	0	113	D118 L119 F138 S139 G140 K141 V142 L162 K163 W253 F254 P255	D118-Y214 PolarHBondContact O-OH 3.22Å; L119-Y214 HydrophobicContact CD1-CE2 4.32Å; F138-Y214 HydrophobicContact CD2-CE2 4.35Å; F138-Y214 HydrophobicContact CE2-CD2 4.45Å; F138-Y214 HydrophobicContact CE2-CE2 4.16Å; S139-Y214 WeakPolarHBondContact CA-O 3.45Å; G140-Y214 VanDerWaalsContact C-CE1 3.43Å; G140-Y214 VanDerWaalsContact CA-CZ 3.48Å; G140-Y214 PolarHBondContact N-O 2.9Å; G140-Y214 WeakPolarHBondContact O-CD1 3.38Å; G140-Y214 PolarHBondContact O-N 3.05Å; K141-Y214 VanDerWaalsContact C-CE1 3.48Å; V142-Y214 HydrophobicContact CB-CE1 3.98Å; V142-Y214 HydrophobicContact CG1-CD1 4.05Å; V142-Y214 HydrophobicContact CG1-CE1 3.92Å; L162-Y214 HydrophobicContact CD1-CD2 4.27Å; L162-Y214 HydrophobicContact CD2-CD2 4.31Å; K163-Y214 CarbonylContact O-C 3.53Å; K163-Y214 VanDerWaalsContact O-CA 3.26Å; K163-Y214 WeakPolarHBondContact O-CA 3.36Å; Y214-W253 WeakPolarHBondContact CE2-O 3.45Å; Y214-F254 HydrophobicContact CE1-CB 4.11Å; Y214-F254 HydrophobicContact CE2-CB 4.28Å; Y214-F254 VanDerWaalsContact OH-CB 3.31Å; Y214-F254 WeakPolarHBondContact OH-CB 3.46Å; Y214-P255 VanDerWaalsContact CD1-CD 3.42Å; Y214-P255 HydrophobicContact CD1-CG 3.89Å; Y214-P255 HydrophobicContact CE1-CG 4.45Å; Y214-P255 HydrophobicContact CG-CG 4.09Å
215	T	91.7	Very high	85.8	Confident	48 Å²	48	26.7 Å²	26.7	29%	0.294	17%	0.166	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.2	147.9	172.4	60.6	0	0	0	0	112.6	F138 L162 K163	F138-T215 WeakPolarHBondContact O-CA 3.49Å; L162-T215 WeakPolarHBondContact CA-O 3.32Å; K163-T215 PolarHBondContact N-O 3.47Å; K163-T215 PolarHBondContact O-N 3.47Å
216	G	89.3	Confident	85.3	Confident	4 Å²	4	24.2 Å²	24.2	4%	0.041	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.9	-168.9	177	0	0	0	0	0	112.5	F138	F138-G216 PolarHBondContact N-O 2.79Å; F138-G216 PolarHBondContact O-N 3.48Å
217	A	87.4	Confident	84.7	Confident	53 Å²	53	19.8 Å²	19.8	44%	0.438	12%	0.123	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.2	139.1	173.2	0	0	0	0	0	109.4
218	A	85.3	Confident	84.1	Confident	11 Å²	11	19.8 Å²	19.8	9%	0.091	12%	0.12	C	C	.	.			trans	-70.6	129.2	175.7	0	0	0	0	0	109.8	F136 V226 R228 L241	F136-A218 HydrophobicContact CB-CB 4.45Å; F136-A218 WeakPolarHBondContact O-CB 3.33Å; F136-A218 PolarHBondContact O-N 3.5Å; A218-V226 CarbonylContact C-O 3.56Å; A218-V226 VanDerWaalsContact CA-O 3.32Å; A218-V226 WeakPolarHBondContact CA-O 3.4Å; A218-V226 HydrophobicContact CB-CB 4.41Å; A218-V226 HydrophobicContact CB-CG1 3.88Å; A218-R228 HydrophobicContact CB-CB 4.42Å; A218-L241 HydrophobicContact CB-CD1 4.19Å
219	A	81.7	Confident	83.3	Confident	27 Å²	27	20 Å²	20	22%	0.223	12%	0.121	C	C	.	.	B	Isolated β-bridge	trans	-62.2	149.4	176.1	0	0	0	0	0	111.8	H221 C223 V226 Y227 R228	A219-H221 VanDerWaalsContact CB-O 3.31Å; A219-H221 WeakPolarHBondContact CB-O 3.2Å; A219-C223 WeakPolarHBondContact CB-SG 3.35Å; A219-V226 PolarHBondContact N-O 2.81Å; A219-Y227 WeakPolarHBondContact O-CA 3.43Å; A219-R228 PolarHBondContact O-N 3.01Å
220	R	76.7	Confident	82.5	Confident	103 Å²	103	19.7 Å²	19.7	39%	0.389	12%	0.12	S	C	.	.	S	Bend	trans	-76.9	-37.6	-179.7	-54.9	-171.2	-159.3	-174.2	13.4	112.3	L841 E874	R220-L841 HydrophobicContact CB-CD2 3.81Å; R220-E874 IonicContact CZ-OE1 2.69Å; R220-E874 IonicContact NE-OE1 2.61Å; R220-E874 IonicContact NH2-OE1 3.11Å; R220-E874 PolarHBondContact NH2-OE1 2.73Å
221	H	68.9	Low	81.4	Confident	0 Å²	0	20 Å²	20	0%	0	12%	0.121	C	C	.	.	S	Bend	trans	-93.7	150.4	166.3	-166.1	-96	0	0	0	109.4	A219 C223 R354 L841 N875 F876 E881	A219-H221 VanDerWaalsContact CB-O 3.31Å; A219-H221 WeakPolarHBondContact CB-O 3.2Å; H221-C223 PolarHBondContact O-N 3.22Å; H221-R354 PolarHBondContact CE1-NH2 2.86Å; H221-R354 PolarHBondContact NE2-NH2 2.95Å; H221-L841 HydrophobicContact CB-CD2 3.87Å; H221-L841 HydrophobicContact CB-CG 4.38Å; H221-N875 WeakPolarHBondContact CB-O 3.28Å; H221-F876 HydrophobicContact CB-CD1 4.41Å; H221-F876 HydrophobicContact CB-CE1 4.44Å; H221-F876 AromaticContact CD2-CD1 3.93Å; H221-F876 AromaticContact CD2-CE1 3.33Å; H221-F876 WeakPolarHBondContact CD2-CE1 3.32Å; H221-F876 AromaticContact CE1-CE1 3.99Å; H221-F876 AromaticContact CG-CD1 3.84Å; H221-F876 AromaticContact CG-CE1 3.72Å; H221-F876 AromaticContact ND1-CD1 3.96Å; H221-F876 AromaticContact NE2-CE1 3.56Å; H221-E881 IonicContact CE1-OE1 3.15Å
222	P	67.4	Low	80.2	Confident	1 Å²	1	22.4 Å²	22.4	1%	0.006	14%	0.139	C	C	.	.			trans	-59.1	123.1	166.5	-27.4	39.3	0	0	0	112.1	Y227 M348 T842	P222-Y227 HydrophobicContact CB-CD1 4.19Å; P222-Y227 HydrophobicContact CB-CD2 3.67Å; P222-Y227 HydrophobicContact CB-CE1 4.15Å; P222-Y227 HydrophobicContact CB-CE2 3.61Å; P222-Y227 HydrophobicContact CB-CG 3.96Å; P222-Y227 HydrophobicContact CG-CD2 3.57Å; P222-Y227 HydrophobicContact CG-CE2 3.54Å; P222-Y227 HydrophobicContact CG-CG 4.3Å; P222-M348 HydrophobicContact CB-CE 4.37Å; P222-M348 HydrophobicContact CG-CE 3.74Å; P222-M348 HydrophobicContact CG-SD 4.42Å; P222-T842 HydrophobicContact CG-CG2 4.31Å
223	C	69.2	Low	79	Confident	27 Å²	27	23.4 Å²	23.4	18%	0.182	14%	0.143	C	C	.	.			trans	-153.4	173.6	175.3	71.1	0	0	0	0	109.3	A219 H221 G225 Q244 T879	A219-C223 WeakPolarHBondContact CB-SG 3.35Å; H221-C223 PolarHBondContact O-N 3.22Å; C223-G225 PolarHBondContact O-N 3.32Å; C223-Q244 WeakPolarHBondContact O-CB 3.49Å; C223-T879 HydrophobicContact CB-CG2 3.5Å; C223-T879 VanDerWaalsContact CB-CG2 3.5Å
224	S	69.1	Low	77.8	Confident	19 Å²	19	27.5 Å²	27.5	13%	0.133	17%	0.17	C	C	.	.	B	Isolated β-bridge	trans	-42.7	129.7	173.6	-59.3	0	0	0	0	113.1	W252	S224-W252 WeakPolarHBondContact O-CB 3.33Å
225	G	73.8	Confident	76.6	Confident	0 Å²	0	30.7 Å²	30.7	0%	0	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	87.3	-154.2	-175.3	0	0	0	0	0	113.5	C223 V243 Q244	C223-G225 PolarHBondContact O-N 3.32Å; G225-V243 CarbonylContact O-C 3.51Å; G225-V243 VanDerWaalsContact O-CA 3.26Å; G225-V243 WeakPolarHBondContact O-CA 3.4Å; G225-Q244 PolarHBondContact N-O 3.46Å; G225-Q244 PolarHBondContact O-N 3.29Å
226	V	81.5	Confident	75.7	Confident	5 Å²	5	33.8 Å²	33.8	3%	0.03	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.5	132.7	-175.7	-164.2	0	0	0	0	111.2	F138 A218 A219 L241 V243 W253	F138-V226 HydrophobicContact CD1-CB 3.97Å; F138-V226 HydrophobicContact CD1-CG1 4.22Å; F138-V226 HydrophobicContact CD1-CG2 3.8Å; F138-V226 HydrophobicContact CE1-CB 3.62Å; F138-V226 HydrophobicContact CE1-CG1 4.36Å; F138-V226 HydrophobicContact CE1-CG2 3.43Å; F138-V226 VanDerWaalsContact CE1-CG2 3.43Å; F138-V226 HydrophobicContact CE2-CG2 4.22Å; F138-V226 HydrophobicContact CG-CG2 4.35Å; F138-V226 HydrophobicContact CZ-CB 4.28Å; F138-V226 HydrophobicContact CZ-CG2 3.64Å; A218-V226 CarbonylContact C-O 3.56Å; A218-V226 VanDerWaalsContact CA-O 3.32Å; A218-V226 WeakPolarHBondContact CA-O 3.4Å; A218-V226 HydrophobicContact CB-CB 4.41Å; A218-V226 HydrophobicContact CB-CG1 3.88Å; A219-V226 PolarHBondContact N-O 2.81Å; V226-L241 HydrophobicContact CG1-CD1 3.81Å; V226-L241 HydrophobicContact CG1-CD2 3.61Å; V226-L241 HydrophobicContact CG1-CG 3.69Å; V226-V243 HydrophobicContact CG2-CG2 4.1Å; V226-W253 HydrophobicContact CG2-CB 3.44Å; V226-W253 VanDerWaalsContact CG2-CB 3.44Å
227	Y	81.3	Confident	75	Confident	0 Å²	0	38.7 Å²	38.7	0%	0	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.7	160.1	173.6	67.7	-95.4	0	0	0	112.3	A219 P222 I229 L241 A242 Q244 M348	A219-Y227 WeakPolarHBondContact O-CA 3.43Å; P222-Y227 HydrophobicContact CB-CD1 4.19Å; P222-Y227 HydrophobicContact CB-CD2 3.67Å; P222-Y227 HydrophobicContact CB-CE1 4.15Å; P222-Y227 HydrophobicContact CB-CE2 3.61Å; P222-Y227 HydrophobicContact CB-CG 3.96Å; P222-Y227 HydrophobicContact CG-CD2 3.57Å; P222-Y227 HydrophobicContact CG-CE2 3.54Å; P222-Y227 HydrophobicContact CG-CG 4.3Å; Y227-I229 HydrophobicContact CD2-CG1 4.13Å; Y227-I229 HydrophobicContact CE2-CD1 3.85Å; Y227-I229 HydrophobicContact CE2-CG1 3.85Å; Y227-L241 WeakPolarHBondContact O-CA 3.12Å; Y227-A242 WeakPolarHBondContact CD1-O 3.4Å; Y227-A242 HydrophobicContact CE1-CB 4.04Å; Y227-A242 HydrophobicContact CE2-CB 4Å; Y227-A242 PolarHBondContact N-O 2.79Å; Y227-A242 PolarHBondContact O-N 3.23Å; Y227-A242 VanDerWaalsContact O-N 3.12Å; Y227-Q244 HydrophobicContact CD1-CB 4.08Å; Y227-Q244 HydrophobicContact CE1-CB 3.75Å; Y227-M348 HydrophobicContact CE2-CE 3.71Å
228	R	83.1	Confident	74.6	Confident	39 Å²	39	38.4 Å²	38.4	15%	0.147	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.9	160.8	175.4	78.9	-174.2	-167.5	172.3	9.1	110.8	F136 A218 A219 F240 D836	F136-R228 HydrophobicContact CD1-CB 3.99Å; F136-R228 HydrophobicContact CD1-CG 4.35Å; F136-R228 VanDerWaalsContact CD2-NH1 3.28Å; F136-R228 HydrophobicContact CE1-CB 4.47Å; F136-R228 VanDerWaalsContact CE2-NH1 3.29Å; A218-R228 HydrophobicContact CB-CB 4.42Å; A219-R228 PolarHBondContact O-N 3.01Å; R228-F240 WeakPolarHBondContact CA-O 3.48Å; R228-D836 IonicContact CZ-OD2 3.43Å; R228-D836 IonicContact NE-OD2 2.72Å; R228-D836 IonicContact NH2-OD2 2.77Å; R228-D836 PolarHBondContact NH2-OD2 3.36Å
229	I	77.1	Confident	74.4	Confident	9 Å²	9	40 Å²	40	5%	0.046	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137	134.6	167.2	-49.3	140.3	0	0	0	107.8	Y227 Y239 F240 L346 M348	Y227-I229 HydrophobicContact CD2-CG1 4.13Å; Y227-I229 HydrophobicContact CE2-CD1 3.85Å; Y227-I229 HydrophobicContact CE2-CG1 3.85Å; I229-Y239 VanDerWaalsContact O-CA 3.26Å; I229-Y239 WeakPolarHBondContact O-CA 3.34Å; I229-F240 HydrophobicContact CB-CB 4.22Å; I229-F240 HydrophobicContact CD1-CB 3.74Å; I229-F240 HydrophobicContact CD1-CD2 4.49Å; I229-F240 HydrophobicContact CD1-CG 4.44Å; I229-F240 HydrophobicContact CG1-CB 4.5Å; I229-F240 PolarHBondContact N-O 3.45Å; I229-F240 PolarHBondContact O-N 3Å; I229-L346 HydrophobicContact CD1-CB 4.13Å; I229-L346 HydrophobicContact CD1-CD1 3.76Å; I229-L346 HydrophobicContact CD1-CD2 4.49Å; I229-L346 HydrophobicContact CD1-CG 4.35Å; I229-M348 HydrophobicContact CD1-CE 3.42Å; I229-M348 VanDerWaalsContact CD1-CE 3.42Å; I229-M348 HydrophobicContact CG1-CE 3.77Å
230	S	77.8	Confident	74.2	Confident	12 Å²	12	38.7 Å²	38.7	8%	0.084	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.7	145.5	167.9	52.5	0	0	0	0	111.3	K238	S230-K238 WeakPolarHBondContact CA-O 3.48Å
231	Y	72.3	Confident	74.5	Confident	7 Å²	7	33.8 Å²	33.8	3%	0.027	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.9	152.7	167	66.9	-77.6	0	0	0	110.1	E233 E237 K238 F240 R307 P347	Y231-E233 HydrophobicContact CD2-CB 4.16Å; Y231-E233 HydrophobicContact CE2-CB 3.97Å; Y231-E237 CarbonylContact O-C 3.57Å; Y231-E237 WeakPolarHBondContact O-CA 3.17Å; Y231-K238 HydrophobicContact CD1-CB 4.03Å; Y231-K238 VanDerWaalsContact CD1-O 3.29Å; Y231-K238 WeakPolarHBondContact CD1-O 3.41Å; Y231-K238 HydrophobicContact CD2-CB 4.25Å; Y231-K238 HydrophobicContact CE1-CB 3.51Å; Y231-K238 HydrophobicContact CE2-CB 3.77Å; Y231-K238 HydrophobicContact CE2-CD 3.86Å; Y231-K238 HydrophobicContact CE2-CG 4.36Å; Y231-K238 HydrophobicContact CG-CB 4.38Å; Y231-K238 PolarHBondContact N-O 3.38Å; Y231-K238 PolarHBondContact O-N 3.42Å; Y231-F240 AromaticContact CD1-CD2 3.6Å; Y231-F240 HydrophobicContact CD1-CD2 3.6Å; Y231-F240 AromaticContact CD1-CE2 3.47Å; Y231-F240 HydrophobicContact CD1-CE2 3.47Å; Y231-F240 VanDerWaalsContact CD1-CE2 3.47Å; Y231-F240 HydrophobicContact CD1-CZ 4.44Å; Y231-F240 AromaticContact CE1-CD2 3.41Å; Y231-F240 HydrophobicContact CE1-CD2 3.41Å; Y231-F240 VanDerWaalsContact CE1-CD2 3.41Å; Y231-F240 HydrophobicContact CE1-CE1 4.44Å; Y231-F240 AromaticContact CE1-CE2 3.09Å; Y231-F240 HydrophobicContact CE1-CE2 3.09Å; Y231-F240 HydrophobicContact CE1-CG 4.23Å; Y231-F240 AromaticContact CE1-CZ 3.68Å; Y231-F240 HydrophobicContact CE1-CZ 3.68Å; Y231-F240 HydrophobicContact CE2-CE2 4.45Å; Y231-F240 HydrophobicContact CG-CE2 4.29Å; Y231-F240 AromaticContact CZ-CE2 3.66Å; Y231-F240 AromaticContact CZ-CZ 3.85Å; Y231-R307 VanDerWaalsContact CD2-CD 3.49Å; Y231-R307 VanDerWaalsContact CE2-CD 3.41Å; Y231-R307 HydrophobicContact CE2-CG 4.18Å; Y231-P347 HydrophobicContact CD1-CG 4.2Å; Y231-P347 HydrophobicContact CG-CG 4.03Å
232	S	69.3	Low	74.9	Confident	65 Å²	65	33.8 Å²	33.8	46%	0.455	20%	0.2	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.8	138.4	168	-172.9	0	0	0	0	108.6	Q236	S232-Q236 WeakPolarHBondContact CA-O 3.41Å
233	E	68.6	Low	75.3	Confident	20 Å²	20	33.9 Å²	33.9	9%	0.093	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.3	121.9	166.1	-173.4	174.9	-124.2	0	0	108.3	Y231 G235 Q236 K238 S309	Y231-E233 HydrophobicContact CD2-CB 4.16Å; Y231-E233 HydrophobicContact CE2-CB 3.97Å; E233-G235 PolarHBondContact O-N 2.88Å; E233-Q236 PolarHBondContact N-O 3.22Å; E233-Q236 PolarHBondContact O-N 2.98Å; E233-K238 HydrophobicContact CB-CD 4.14Å; E233-K238 IonicContact OE2-NZ 2.71Å; E233-K238 PolarHBondContact OE2-NZ 2.93Å; E233-S309 WeakPolarHBondContact OE1-CB 3.42Å; E233-S309 PolarHBondContact OE1-OG 3.25Å
234	S	69.5	Low	75.2	Confident	125 Å²	125	34.1 Å²	34.1	87%	0.874	20%	0.199	S	C	*	.	T	Hydrogen-bonded Turn	trans	52.1	34.5	-171.9	-56.6	0	0	0	0	114	Q236	S234-Q236 VanDerWaalsContact C-N 3.3Å; S234-Q236 PolarHBondContact O-N 2.98Å
235	G	67.7	Low	74.7	Confident	70 Å²	70	33.8 Å²	33.8	72%	0.722	20%	0.196	S	C	*	.	T	Hydrogen-bonded Turn	trans	79.2	3	-179.4	0	0	0	0	0	115.3	E233	E233-G235 PolarHBondContact O-N 2.88Å
236	Q	72.3	Confident	74	Confident	113 Å²	113	34.5 Å²	34.5	53%	0.528	20%	0.203	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.2	128.4	171.9	-65.1	-173.1	-7.3	0	0	110.6	S232 E233 S234 K238	S232-Q236 WeakPolarHBondContact CA-O 3.41Å; E233-Q236 PolarHBondContact N-O 3.22Å; E233-Q236 PolarHBondContact O-N 2.98Å; S234-Q236 VanDerWaalsContact C-N 3.3Å; S234-Q236 PolarHBondContact O-N 2.98Å; Q236-K238 PolarHBondContact O-N 3.27Å
237	E	75.7	Confident	72.8	Confident	106 Å²	106	34.8 Å²	34.8	50%	0.495	21%	0.206	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.4	129.1	168.9	-163.5	-174.4	172.2	0	0	109.9	Y231 Y239	Y231-E237 CarbonylContact O-C 3.57Å; Y231-E237 WeakPolarHBondContact O-CA 3.17Å; E237-Y239 VanDerWaalsContact CD-CZ 3.46Å; E237-Y239 HydrophobicContact CG-CE1 4.17Å; E237-Y239 HydrophobicContact CG-CE2 4.5Å; E237-Y239 WeakPolarHBondContact OE1-CE1 3.32Å; E237-Y239 PolarHBondContact OE1-OH 2.91Å; E237-Y239 PolarHBondContact OE2-OH 3.41Å; E237-Y239 VanDerWaalsContact OE2-OH 3.06Å
238	K	78	Confident	72.1	Confident	47 Å²	47	35.2 Å²	35.2	20%	0.204	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.2	157.6	179.5	-64.2	-176.9	-172.3	-177.6	0	109.1	S230 Y231 E233 Q236	S230-K238 WeakPolarHBondContact CA-O 3.48Å; Y231-K238 HydrophobicContact CD1-CB 4.03Å; Y231-K238 VanDerWaalsContact CD1-O 3.29Å; Y231-K238 WeakPolarHBondContact CD1-O 3.41Å; Y231-K238 HydrophobicContact CD2-CB 4.25Å; Y231-K238 HydrophobicContact CE1-CB 3.51Å; Y231-K238 HydrophobicContact CE2-CB 3.77Å; Y231-K238 HydrophobicContact CE2-CD 3.86Å; Y231-K238 HydrophobicContact CE2-CG 4.36Å; Y231-K238 HydrophobicContact CG-CB 4.38Å; Y231-K238 PolarHBondContact N-O 3.38Å; Y231-K238 PolarHBondContact O-N 3.42Å; E233-K238 HydrophobicContact CB-CD 4.14Å; E233-K238 IonicContact OE2-NZ 2.71Å; E233-K238 PolarHBondContact OE2-NZ 2.93Å; Q236-K238 PolarHBondContact O-N 3.27Å
239	Y	81.1	Confident	71.6	Confident	44 Å²	44	33.4 Å²	33.4	17%	0.173	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.6	143.7	-174.8	-56.5	-77.4	0	0	0	113	P124 F136 I229 E237	P124-Y239 HydrophobicContact CG-CD2 3.63Å; P124-Y239 HydrophobicContact CG-CE2 3.55Å; F136-Y239 AromaticContact CE1-CD1 3.67Å; F136-Y239 HydrophobicContact CE1-CD1 3.67Å; F136-Y239 HydrophobicContact CE1-CD2 4.07Å; F136-Y239 AromaticContact CE1-CE1 3.97Å; F136-Y239 HydrophobicContact CE1-CE1 3.97Å; F136-Y239 HydrophobicContact CE1-CE2 4.32Å; F136-Y239 AromaticContact CE1-CG 3.71Å; F136-Y239 HydrophobicContact CE1-CG 3.71Å; F136-Y239 AromaticContact CZ-CD1 3.81Å; F136-Y239 HydrophobicContact CZ-CD1 3.81Å; F136-Y239 HydrophobicContact CZ-CD2 4.07Å; F136-Y239 AromaticContact CZ-CE1 3.59Å; F136-Y239 HydrophobicContact CZ-CE1 3.59Å; F136-Y239 AromaticContact CZ-CE2 3.85Å; F136-Y239 HydrophobicContact CZ-CE2 3.85Å; F136-Y239 HydrophobicContact CZ-CG 4.03Å; F136-Y239 AromaticContact CZ-CZ 3.6Å; I229-Y239 VanDerWaalsContact O-CA 3.26Å; I229-Y239 WeakPolarHBondContact O-CA 3.34Å; E237-Y239 VanDerWaalsContact CD-CZ 3.46Å; E237-Y239 HydrophobicContact CG-CE1 4.17Å; E237-Y239 HydrophobicContact CG-CE2 4.5Å; E237-Y239 WeakPolarHBondContact OE1-CE1 3.32Å; E237-Y239 PolarHBondContact OE1-OH 2.91Å; E237-Y239 PolarHBondContact OE2-OH 3.41Å; E237-Y239 VanDerWaalsContact OE2-OH 3.06Å
240	F	77.9	Confident	71.4	Confident	0 Å²	0	33.1 Å²	33.1	0%	0	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.1	155	161.3	-70.9	-70.9	0	0	0	110	R228 I229 Y231 L289 R307 L346 P347	R228-F240 WeakPolarHBondContact CA-O 3.48Å; I229-F240 HydrophobicContact CB-CB 4.22Å; I229-F240 HydrophobicContact CD1-CB 3.74Å; I229-F240 HydrophobicContact CD1-CD2 4.49Å; I229-F240 HydrophobicContact CD1-CG 4.44Å; I229-F240 HydrophobicContact CG1-CB 4.5Å; I229-F240 PolarHBondContact N-O 3.45Å; I229-F240 PolarHBondContact O-N 3Å; Y231-F240 AromaticContact CD1-CD2 3.6Å; Y231-F240 HydrophobicContact CD1-CD2 3.6Å; Y231-F240 AromaticContact CD1-CE2 3.47Å; Y231-F240 HydrophobicContact CD1-CE2 3.47Å; Y231-F240 VanDerWaalsContact CD1-CE2 3.47Å; Y231-F240 HydrophobicContact CD1-CZ 4.44Å; Y231-F240 AromaticContact CE1-CD2 3.41Å; Y231-F240 HydrophobicContact CE1-CD2 3.41Å; Y231-F240 VanDerWaalsContact CE1-CD2 3.41Å; Y231-F240 HydrophobicContact CE1-CE1 4.44Å; Y231-F240 AromaticContact CE1-CE2 3.09Å; Y231-F240 HydrophobicContact CE1-CE2 3.09Å; Y231-F240 HydrophobicContact CE1-CG 4.23Å; Y231-F240 AromaticContact CE1-CZ 3.68Å; Y231-F240 HydrophobicContact CE1-CZ 3.68Å; Y231-F240 HydrophobicContact CE2-CE2 4.45Å; Y231-F240 HydrophobicContact CG-CE2 4.29Å; Y231-F240 AromaticContact CZ-CE2 3.66Å; Y231-F240 AromaticContact CZ-CZ 3.85Å; F240-L289 HydrophobicContact CE1-CD1 4.44Å; F240-L289 HydrophobicContact CE1-CD2 3.47Å; F240-L289 VanDerWaalsContact CE1-CD2 3.47Å; F240-L289 HydrophobicContact CE1-CG 3.78Å; F240-L289 HydrophobicContact CZ-CD2 3.67Å; F240-L289 HydrophobicContact CZ-CG 4.44Å; F240-R307 HydrophobicContact CE2-CG 4.23Å; F240-R307 HydrophobicContact CZ-CG 3.97Å; F240-L346 HydrophobicContact CD1-CD2 4.16Å; F240-L346 HydrophobicContact CD2-CD2 4.25Å; F240-L346 HydrophobicContact CE1-CD2 4.39Å; F240-L346 HydrophobicContact CE2-CD2 4.44Å; F240-L346 HydrophobicContact CG-CD2 4.11Å; F240-P347 HydrophobicContact CD2-CG 4.1Å; F240-P347 HydrophobicContact CE2-CG 3.76Å
241	L	82.9	Confident	71.6	Confident	0 Å²	0	33 Å²	33	0%	0	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.8	133.5	163.9	-178.2	152	0	0	0	109.3	V121 L123 A218 V226 Y227 F284 V286	V121-L241 HydrophobicContact CB-CD1 3.85Å; V121-L241 HydrophobicContact CB-CD2 4.35Å; V121-L241 HydrophobicContact CG1-CD1 3.93Å; V121-L241 HydrophobicContact CG1-CD2 3.79Å; V121-L241 HydrophobicContact CG2-CD1 4.46Å; L123-L241 HydrophobicContact CD1-CB 4.08Å; L123-L241 HydrophobicContact CD2-CB 4.12Å; L123-L241 HydrophobicContact CD2-CD1 4.39Å; L123-L241 HydrophobicContact CG-CB 4.36Å; A218-L241 HydrophobicContact CB-CD1 4.19Å; V226-L241 HydrophobicContact CG1-CD1 3.81Å; V226-L241 HydrophobicContact CG1-CD2 3.61Å; V226-L241 HydrophobicContact CG1-CG 3.69Å; Y227-L241 WeakPolarHBondContact O-CA 3.12Å; L241-F284 HydrophobicContact CD2-CE2 3.73Å; L241-F284 HydrophobicContact CD2-CZ 4.23Å; L241-V286 PolarHBondContact N-O 2.87Å; L241-V286 PolarHBondContact O-N 2.89Å
242	A	77.7	Confident	72	Confident	1 Å²	1	34.3 Å²	34.3	1%	0.008	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.3	166.9	-178.1	0	0	0	0	0	110	Y227 V285	Y227-A242 WeakPolarHBondContact CD1-O 3.4Å; Y227-A242 HydrophobicContact CE1-CB 4.04Å; Y227-A242 HydrophobicContact CE2-CB 4Å; Y227-A242 PolarHBondContact N-O 2.79Å; Y227-A242 PolarHBondContact O-N 3.23Å; Y227-A242 VanDerWaalsContact O-N 3.12Å; A242-V285 HydrophobicContact CB-CG1 4.41Å; A242-V285 HydrophobicContact CB-CG2 4.08Å
243	V	76.4	Confident	72.5	Confident	2 Å²	2	31.8 Å²	31.8	1%	0.012	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.7	133.2	170.5	169.2	0	0	0	0	109.7	G225 V226 W253 F284	G225-V243 CarbonylContact O-C 3.51Å; G225-V243 VanDerWaalsContact O-CA 3.26Å; G225-V243 WeakPolarHBondContact O-CA 3.4Å; V226-V243 HydrophobicContact CG2-CG2 4.1Å; V243-W253 HydrophobicContact CG1-CG 4.23Å; V243-W253 HydrophobicContact CG2-CB 4.5Å; V243-W253 HydrophobicContact CG2-CD2 4.25Å; V243-W253 HydrophobicContact CG2-CG 4.25Å; V243-F284 HydrophobicContact CB-CE1 4.35Å; V243-F284 HydrophobicContact CG2-CD1 4.17Å; V243-F284 HydrophobicContact CG2-CE1 3.43Å; V243-F284 VanDerWaalsContact CG2-CE1 3.43Å; V243-F284 HydrophobicContact CG2-CE2 4.3Å; V243-F284 HydrophobicContact CG2-CZ 3.49Å; V243-F284 VanDerWaalsContact CG2-CZ 3.49Å; V243-F284 PolarHBondContact N-O 2.81Å
244	Q	67.2	Low	73.3	Confident	33 Å²	33	30.8 Å²	30.8	15%	0.154	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.6	112	167	-160.1	173	-15.3	0	0	108.4	C223 G225 Y227 A249 R354	C223-Q244 WeakPolarHBondContact O-CB 3.49Å; G225-Q244 PolarHBondContact N-O 3.46Å; G225-Q244 PolarHBondContact O-N 3.29Å; Y227-Q244 HydrophobicContact CD1-CB 4.08Å; Y227-Q244 HydrophobicContact CE1-CB 3.75Å; Q244-A249 WeakPolarHBondContact O-CB 3.48Å; Q244-R354 HydrophobicContact CG-CB 4.45Å; Q244-R354 WeakPolarHBondContact CG-O 3.09Å; Q244-R354 PolarHBondContact NE2-O 3.49Å
245	V	57.5	Low	74.1	Confident	12 Å²	12	24.9 Å²	24.9	7%	0.073	14%	0.138	C	C	.	.			trans	-80.9	158.4	166.7	-78.1	0	0	0	0	111	H280 L281 L282 A283 S355 A357	V245-H280 WeakPolarHBondContact CB-O 3.47Å; V245-H280 WeakPolarHBondContact CG1-O 3.16Å; V245-L281 VanDerWaalsContact CG1-C 3.44Å; V245-L282 VanDerWaalsContact CG1-C 3.42Å; V245-L282 WeakPolarHBondContact CG1-O 3.36Å; V245-A283 HydrophobicContact CB-CB 4.49Å; V245-A283 HydrophobicContact CG1-CB 3.68Å; V245-A283 HydrophobicContact CG2-CB 4.04Å; V245-S355 WeakPolarHBondContact CG2-OG 3.24Å; V245-A357 HydrophobicContact CG2-CB 3.88Å
246	G	58.9	Low	74.8	Confident	14 Å²	14	21.7 Å²	21.7	14%	0.144	11%	0.105	C	C	.	.			trans	155.9	174.9	-173.1	0	0	0	0	0	110.2	A248 A249 H280	G246-A248 PolarHBondContact O-N 3.4Å; G246-A249 WeakPolarHBondContact O-CB 3.38Å; G246-A249 PolarHBondContact O-N 3.3Å; G246-H280 PolarHBondContact N-O 2.84Å
247	P	56.2	Low	75	Confident	12 Å²	12	17 Å²	17	8%	0.078	8%	0.083	C	C	.	.	T	Hydrogen-bonded Turn	trans	-47.2	128.5	178.7	-34.5	40	0	0	0	114.1	A249 W405 Y408 F488	P247-A249 PolarHBondContact O-N 3.42Å; P247-W405 VanDerWaalsContact CA-CZ3 3.49Å; P247-W405 HydrophobicContact CB-CD2 4.37Å; P247-W405 HydrophobicContact CB-CE3 3.68Å; P247-W405 HydrophobicContact CB-CH2 4.15Å; P247-W405 HydrophobicContact CB-CZ3 3.57Å; P247-W405 HydrophobicContact CG-CE3 4.27Å; P247-W405 HydrophobicContact CG-CZ3 4.11Å; P247-Y408 HydrophobicContact CG-CD1 3.67Å; P247-Y408 HydrophobicContact CG-CD2 3.65Å; P247-Y408 HydrophobicContact CG-CE1 3.5Å; P247-Y408 HydrophobicContact CG-CE2 3.51Å; P247-Y408 HydrophobicContact CG-CG 3.75Å; P247-Y408 VanDerWaalsContact CG-CZ 3.44Å; P247-F488 HydrophobicContact CB-CD2 3.74Å; P247-F488 HydrophobicContact CB-CE1 4.32Å; P247-F488 HydrophobicContact CB-CE2 3.02Å; P247-F488 HydrophobicContact CB-CZ 3.34Å; P247-F488 HydrophobicContact CG-CD1 4.47Å; P247-F488 HydrophobicContact CG-CD2 3.81Å; P247-F488 HydrophobicContact CG-CE1 4.16Å; P247-F488 HydrophobicContact CG-CE2 3.51Å; P247-F488 HydrophobicContact CG-CG 4.32Å; P247-F488 HydrophobicContact CG-CZ 3.64Å
248	A	67.6	Low	74	Confident	8 Å²	8	14.8 Å²	14.8	7%	0.066	8%	0.075	C	C	.	.	T	Hydrogen-bonded Turn	trans	57.1	1.3	-178.2	0	0	0	0	0	116.6	G246 A250 R251 W252 W405 P481	G246-A248 PolarHBondContact O-N 3.4Å; A248-A250 VanDerWaalsContact C-N 3.31Å; A248-A250 PolarHBondContact O-N 3.35Å; A248-R251 VanDerWaalsContact O-CG 3.31Å; A248-R251 WeakPolarHBondContact O-CG 3.2Å; A248-R251 PolarHBondContact O-N 2.94Å; A248-R251 PolarHBondContact O-NE 2.88Å; A248-W252 HydrophobicContact CB-CZ3 4.47Å; A248-W405 HydrophobicContact CB-CZ2 4.05Å; A248-W405 VanDerWaalsContact N-CZ2 3.34Å; A248-P481 HydrophobicContact CB-CB 4.07Å
249	A	71.8	Confident	72.2	Confident	1 Å²	1	14.6 Å²	14.6	1%	0.008	8%	0.075	C	C	.	.	G	3₁₀ helix	trans	-65.4	-24	-165.1	0	0	0	0	0	115.5	Q244 G246 P247 R251 W252	Q244-A249 WeakPolarHBondContact O-CB 3.48Å; G246-A249 WeakPolarHBondContact O-CB 3.38Å; G246-A249 PolarHBondContact O-N 3.3Å; P247-A249 PolarHBondContact O-N 3.42Å; A249-R251 PolarHBondContact O-N 2.98Å; A249-R251 VanDerWaalsContact O-N 3.14Å; A249-W252 PolarHBondContact O-N 2.84Å; A249-W252 VanDerWaalsContact O-N 3.12Å
250	A	72.4	Confident	70.2	Confident	3 Å²	3	14.4 Å²	14.4	3%	0.025	8%	0.079	C	C	.	.	G	3₁₀ helix	trans	-50.8	-40	179.6	0	0	0	0	0	113	A248 W252 W253 F254	A248-A250 VanDerWaalsContact C-N 3.31Å; A248-A250 PolarHBondContact O-N 3.35Å; A250-W252 PolarHBondContact O-N 3.31Å; A250-W253 VanDerWaalsContact O-CD1 3.25Å; A250-W253 PolarHBondContact O-N 3.14Å; A250-F254 HydrophobicContact CB-CE1 4.07Å; A250-F254 HydrophobicContact CB-CZ 4.48Å; A250-F254 PolarHBondContact O-N 3.14Å; A250-F254 VanDerWaalsContact O-O 3.07Å
251	R	82.4	Confident	68.2	Low	11 Å²	11	18 Å²	18	4%	0.042	10%	0.098	C	C	.	.	G	3₁₀ helix	trans	-60.2	-17.2	-177.9	78.5	-173.8	68.1	-136	-9.5	115.6	N158 V160 Q192 A248 A249 F254	N158-R251 HydrophobicContact CB-CB 3.69Å; N158-R251 VanDerWaalsContact CB-CZ 3.49Å; N158-R251 PolarHBondContact OD1-NH1 2.82Å; N158-R251 PolarHBondContact OD1-NH2 3.19Å; V160-R251 HydrophobicContact CB-CG 4.11Å; V160-R251 VanDerWaalsContact CG2-CD 3.47Å; V160-R251 HydrophobicContact CG2-CG 3.73Å; V160-R251 PolarHBondContact N-O 3.29Å; Q192-R251 PolarHBondContact O-NH1 3.16Å; Q192-R251 VanDerWaalsContact O-NH1 3.09Å; A248-R251 VanDerWaalsContact O-CG 3.31Å; A248-R251 WeakPolarHBondContact O-CG 3.2Å; A248-R251 PolarHBondContact O-N 2.94Å; A248-R251 PolarHBondContact O-NE 2.88Å; A249-R251 PolarHBondContact O-N 2.98Å; A249-R251 VanDerWaalsContact O-N 3.14Å; R251-F254 WeakPolarHBondContact CA-O 3.38Å
252	W	81.1	Confident	66.1	Low	33 Å²	33	21.7 Å²	21.7	13%	0.125	12%	0.117	C	C	.	.	G	3₁₀ helix	trans	-87.9	-9.7	176.3	-79.1	-100.8	0	0	0	113.1	V160 S224 A248 A249 A250 L485	V160-W252 HydrophobicContact CB-CD2 4.11Å; V160-W252 HydrophobicContact CB-CG 4.18Å; V160-W252 HydrophobicContact CG1-CD2 4.3Å; V160-W252 HydrophobicContact CG1-CG 4.32Å; V160-W252 HydrophobicContact CG1-CZ2 4.31Å; S224-W252 WeakPolarHBondContact O-CB 3.33Å; A248-W252 HydrophobicContact CB-CZ3 4.47Å; A249-W252 PolarHBondContact O-N 2.84Å; A249-W252 VanDerWaalsContact O-N 3.12Å; A250-W252 PolarHBondContact O-N 3.31Å; W252-L485 HydrophobicContact CH2-CD1 4.45Å
253	W	79.7	Confident	64.1	Low	12 Å²	12	23.5 Å²	23.5	5%	0.045	13%	0.13	C	C	.	.	T	Hydrogen-bonded Turn	trans	-123.6	-29.6	177.6	77.4	-83.1	0	0	0	115.2	V117 L119 F138 Y214 V226 V243 A250 L282 F284	V117-W253 HydrophobicContact CG1-CZ3 4.17Å; L119-W253 HydrophobicContact CD2-CE3 4.02Å; L119-W253 HydrophobicContact CD2-CZ3 4.23Å; F138-W253 WeakPolarHBondContact CE2-O 3.32Å; Y214-W253 WeakPolarHBondContact CE2-O 3.45Å; V226-W253 HydrophobicContact CG2-CB 3.44Å; V226-W253 VanDerWaalsContact CG2-CB 3.44Å; V243-W253 HydrophobicContact CG1-CG 4.23Å; V243-W253 HydrophobicContact CG2-CB 4.5Å; V243-W253 HydrophobicContact CG2-CD2 4.25Å; V243-W253 HydrophobicContact CG2-CG 4.25Å; A250-W253 VanDerWaalsContact O-CD1 3.25Å; A250-W253 PolarHBondContact O-N 3.14Å; W253-L282 HydrophobicContact CH2-CD2 4.03Å; W253-L282 HydrophobicContact CH2-CG 4.26Å; W253-L282 HydrophobicContact CZ2-CB 4.38Å; W253-L282 HydrophobicContact CZ2-CD2 3.9Å; W253-L282 HydrophobicContact CZ2-CG 3.91Å; W253-F284 HydrophobicContact CE3-CE1 4.08Å; W253-F284 HydrophobicContact CH2-CD1 4.38Å; W253-F284 HydrophobicContact CH2-CE1 4.13Å; W253-F284 HydrophobicContact CZ3-CD1 4.45Å; W253-F284 AromaticContact CZ3-CE1 3.79Å; W253-F284 HydrophobicContact CZ3-CE1 3.79Å
254	F	84.6	Confident	62.1	Low	0 Å²	0	27.9 Å²	27.9	0%	0	15%	0.153	C	C	.	.	S	Bend	trans	-142.8	154	163.7	73.8	-80.1	0	0	0	112.1	Y115 V117 V142 Y214 A250 R251 S256 P260	Y115-F254 HydrophobicContact CD1-CE2 4.07Å; V117-F254 HydrophobicContact CG1-CB 4.46Å; V117-F254 HydrophobicContact CG2-CB 4.22Å; V117-F254 HydrophobicContact CG2-CD2 3.48Å; V117-F254 VanDerWaalsContact CG2-CD2 3.48Å; V117-F254 HydrophobicContact CG2-CE2 3.86Å; V117-F254 HydrophobicContact CG2-CG 3.84Å; V142-F254 HydrophobicContact CG2-CD2 4.11Å; Y214-F254 HydrophobicContact CE1-CB 4.11Å; Y214-F254 HydrophobicContact CE2-CB 4.28Å; Y214-F254 VanDerWaalsContact OH-CB 3.31Å; Y214-F254 WeakPolarHBondContact OH-CB 3.46Å; A250-F254 HydrophobicContact CB-CE1 4.07Å; A250-F254 HydrophobicContact CB-CZ 4.48Å; A250-F254 PolarHBondContact O-N 3.14Å; A250-F254 VanDerWaalsContact O-O 3.07Å; R251-F254 WeakPolarHBondContact CA-O 3.38Å; F254-S256 VanDerWaalsContact CE2-CB 3.4Å; F254-S256 PolarHBondContact O-N 3.35Å; F254-P260 HydrophobicContact CE2-CG 3.95Å; F254-P260 HydrophobicContact CZ-CG 3.87Å
255	P	87.6	Confident	60.7	Low	0 Å²	0	29.7 Å²	29.7	0%	0	18%	0.18	C	C	.	.			trans	-68.9	117.7	173.3	-15.3	30.3	0	0	0	110.2	V142 L157 N158 L162 I164 L212 Y214	V142-P255 HydrophobicContact CG1-CB 4.19Å; V142-P255 HydrophobicContact CG1-CG 3.99Å; L157-P255 HydrophobicContact CD1-CB 3.66Å; N158-P255 WeakPolarHBondContact O-CA 3.47Å; L162-P255 HydrophobicContact CD1-CG 3.97Å; I164-P255 HydrophobicContact CD1-CB 4.13Å; I164-P255 HydrophobicContact CD1-CG 3.63Å; I164-P255 HydrophobicContact CG1-CG 4.32Å; L212-P255 HydrophobicContact CD1-CB 3.95Å; L212-P255 HydrophobicContact CD1-CG 4.23Å; Y214-P255 VanDerWaalsContact CD1-CD 3.42Å; Y214-P255 HydrophobicContact CD1-CG 3.89Å; Y214-P255 HydrophobicContact CE1-CG 4.45Å; Y214-P255 HydrophobicContact CG-CG 4.09Å
256	S	81.4	Confident	60	Low	3 Å²	3	36.2 Å²	36.2	2%	0.021	20%	0.204	C	C	.	.	B	Isolated β-bridge	trans	-130.7	140.7	-169	88.8	0	0	0	0	115.1	N158 F254 D258	N158-S256 WeakPolarHBondContact CB-O 3.19Å; N158-S256 PolarHBondContact N-O 3.08Å; N158-S256 PolarHBondContact ND2-O 3.37Å; N158-S256 PolarHBondContact O-N 3.49Å; F254-S256 VanDerWaalsContact CE2-CB 3.4Å; F254-S256 PolarHBondContact O-N 3.35Å; S256-D258 VanDerWaalsContact CB-OD1 3.23Å; S256-D258 WeakPolarHBondContact CB-OD1 3.4Å; S256-D258 PolarHBondContact OG-OD1 2.96Å
257	M	77.7	Confident	59.5	Low	16 Å²	16	45.9 Å²	45.9	8%	0.079	24%	0.242	C	C	.	.	S	Bend	trans	-112.1	12.5	137.2	-0.7	152.1	170.4	0	0	112.2	F106 P112 Y115 L146 I155 I156 L157	F106-M257 HydrophobicContact CE1-CB 4.41Å; F106-M257 HydrophobicContact CE1-CG 4.4Å; F106-M257 HydrophobicContact CE1-SD 3.94Å; F106-M257 HydrophobicContact CE2-CB 3.99Å; F106-M257 HydrophobicContact CE2-CG 3.98Å; F106-M257 HydrophobicContact CE2-SD 4.5Å; F106-M257 HydrophobicContact CZ-CB 3.75Å; F106-M257 HydrophobicContact CZ-CE 4.02Å; F106-M257 HydrophobicContact CZ-CG 3.51Å; F106-M257 HydrophobicContact CZ-SD 3.48Å; F106-M257 WeakPolarHBondContact CZ-SD 3.46Å; P112-M257 HydrophobicContact CG-CB 4.22Å; P112-M257 WeakPolarHBondContact CG-O 3.29Å; P112-M257 HydrophobicContact CG-SD 4.41Å; Y115-M257 WeakPolarHBondContact OH-CA 3.18Å; Y115-M257 WeakPolarHBondContact OH-CB 3.47Å; Y115-M257 WeakPolarHBondContact OH-CG 3.26Å; Y115-M257 PolarHBondContact OH-N 3.32Å; L146-M257 HydrophobicContact CD1-CE 4.34Å; L146-M257 HydrophobicContact CD2-CE 3.45Å; L146-M257 VanDerWaalsContact CD2-CE 3.45Å; L146-M257 HydrophobicContact CD2-SD 3.59Å; L146-M257 VanDerWaalsContact CD2-SD 3.59Å; I155-M257 HydrophobicContact CG2-CE 3.5Å; I155-M257 VanDerWaalsContact CG2-CE 3.5Å; I156-M257 WeakPolarHBondContact O-CE 3.47Å; L157-M257 HydrophobicContact CD2-CE 3.6Å; L157-M257 HydrophobicContact CD2-CG 3.42Å; L157-M257 VanDerWaalsContact CD2-CG 3.42Å; L157-M257 HydrophobicContact CD2-SD 4.31Å
258	D	53.4	Low	59.5	Low	58 Å²	58	50.9 Å²	50.9	31%	0.31	26%	0.262	S	S	.	.	S	Bend	trans	100.2	115	159.6	-62.8	-4.7	0	0	0	121.7	Y115 S256 P279	Y115-D258 VanDerWaalsContact CD2-O 3.29Å; Y115-D258 WeakPolarHBondContact CD2-O 3.42Å; Y115-D258 VanDerWaalsContact CE2-N 3.26Å; Y115-D258 WeakPolarHBondContact CE2-O 3.38Å; Y115-D258 PolarHBondContact OH-N 2.85Å; Y115-D258 VanDerWaalsContact OH-N 3.15Å; S256-D258 VanDerWaalsContact CB-OD1 3.23Å; S256-D258 WeakPolarHBondContact CB-OD1 3.4Å; S256-D258 PolarHBondContact OG-OD1 2.96Å; D258-P279 HydrophobicContact CB-CG 3.2Å
259	E	41.1	Very low	59.1	Low	44 Å²	44	55.6 Å²	55.6	21%	0.206	29%	0.29	C	S	.	.			trans	139.6	58.1	167.8	-92.7	171.4	-116.1	0	0	126.8	L114 Y115 L277 P279	L114-E259 CarbonylContact C-O 3.28Å; Y115-E259 WeakPolarHBondContact CB-O 3.32Å; Y115-E259 PolarHBondContact N-O 3.41Å; E259-L277 VanDerWaalsContact OE1-CB 3.22Å; E259-L277 WeakPolarHBondContact OE1-CB 3.4Å; E259-L277 WeakPolarHBondContact OE1-CD2 3.3Å; E259-L277 WeakPolarHBondContact OE1-CG 3.33Å; E259-L277 WeakPolarHBondContact OE2-CB 3.41Å; E259-P279 HydrophobicContact CB-CB 4.45Å; E259-P279 HydrophobicContact CB-CG 3.91Å; E259-P279 HydrophobicContact CG-CB 3.87Å; E259-P279 HydrophobicContact CG-CG 3.87Å; E259-P279 WeakPolarHBondContact OE1-CA 3.46Å; E259-P279 WeakPolarHBondContact OE1-CB 3.22Å; E259-P279 VanDerWaalsContact OE1-CD 3.23Å; E259-P279 WeakPolarHBondContact OE1-CD 3.32Å
260	P	39	Very low	58.7	Low	39 Å²	39	60.9 Å²	60.9	25%	0.253	32%	0.323	S	S	.	.	B	Isolated β-bridge	trans	-106.8	162.9	-154.1	-1.9	23.3	0	0	0	130.1	Y115 V117 F254 L282	Y115-P260 VanDerWaalsContact C-CA 3.43Å; Y115-P260 VanDerWaalsContact CB-CA 3.45Å; Y115-P260 HydrophobicContact CG-CG 4.46Å; Y115-P260 CarbonylContact O-C 3.55Å; Y115-P260 WeakPolarHBondContact O-CA 3.22Å; V117-P260 HydrophobicContact CB-CB 3.48Å; V117-P260 VanDerWaalsContact CB-CB 3.48Å; V117-P260 HydrophobicContact CB-CG 3.84Å; V117-P260 HydrophobicContact CG2-CB 3.46Å; V117-P260 VanDerWaalsContact CG2-CB 3.46Å; V117-P260 HydrophobicContact CG2-CG 3.45Å; V117-P260 VanDerWaalsContact CG2-CG 3.45Å; F254-P260 HydrophobicContact CE2-CG 3.95Å; F254-P260 HydrophobicContact CZ-CG 3.87Å; P260-L282 HydrophobicContact CG-CD2 4.38Å
261	D	36.7	Very low	58.9	Low	75 Å²	75	67.9 Å²	67.9	40%	0.401	35%	0.353	S	S	.	.			trans	-145.9	-151.8	177.1	-171.4	17.6	0	0	0	118.1	Y115 Y116 V117	Y115-D261 PolarHBondContact O-N 2.86Å; Y116-D261 CarbonylContact C-O 3.51Å; Y116-D261 WeakPolarHBondContact CA-O 3.38Å; Y116-D261 VanDerWaalsContact CD1-C 3.49Å; Y116-D261 HydrophobicContact CD1-CB 3.83Å; Y116-D261 HydrophobicContact CE1-CB 3.65Å; V117-D261 CarbonylContact C-O 3.51Å; V117-D261 PolarHBondContact N-O 3.47Å
262	L	37.2	Very low	58.5	Low	79 Å²	79	72.8 Å²	72.8	41%	0.414	39%	0.389	S	S	.	.			trans	-28.5	157	-177.4	-56.1	-179.1	0	0	0	122.9	Y116	Y116-L262 VanDerWaalsContact CB-O 3.29Å; Y116-L262 WeakPolarHBondContact CB-O 3.28Å; Y116-L262 HydrophobicContact CD1-CB 3.63Å; Y116-L262 HydrophobicContact CD1-CG 4.4Å; Y116-L262 VanDerWaalsContact CD1-N 3.3Å; Y116-L262 VanDerWaalsContact CD1-O 3.28Å; Y116-L262 WeakPolarHBondContact CD1-O 3.36Å; Y116-L262 HydrophobicContact CE1-CB 3.76Å; Y116-L262 HydrophobicContact CE1-CD1 4.34Å; Y116-L262 HydrophobicContact CE1-CG 4.06Å
263	S	36.4	Very low	58.3	Low	38 Å²	38	80.2 Å²	80.2	27%	0.266	43%	0.425	S	S	.	.			cis	175.1	179.2	-19.7	72.2	0	0	0	0	110	D118	D118-S263 WeakPolarHBondContact OD2-CA 3.46Å; D118-S263 PolarHBondContact OD2-N 2.85Å
264	D	34.8	Very low	58.2	Low	95 Å²	95	83.8 Å²	83.8	51%	0.508	45%	0.448	S	S	.	.			cis	-153.6	-167	1.2	-140.6	-58.7	0	0	0	111.7	W266	D264-W266 VanDerWaalsContact C-CD1 3.44Å; D264-W266 PolarHBondContact O-NE1 3.37Å
265	G	37.7	Very low	58.1	Low	70 Å²	70	88.3 Å²	88.3	72%	0.722	47%	0.467	S	S	*	.	S	Bend	trans	118.1	14.6	166.4	0	0	0	0	0	115.8
266	W	41.7	Very low	57.8	Low	149 Å²	149	95.3 Å²	95.3	56%	0.564	50%	0.5	S	S	*	.	S	Bend	trans	-123.2	169.5	-159.3	-59.8	91.8	0	0	0	114.6	K120 D264 K268	K120-W266 HydrophobicContact CB-CH2 4.48Å; K120-W266 HydrophobicContact CD-CH2 3.47Å; K120-W266 VanDerWaalsContact CD-CH2 3.47Å; K120-W266 HydrophobicContact CD-CZ2 4.22Å; K120-W266 HydrophobicContact CD-CZ3 3.96Å; K120-W266 HydrophobicContact CG-CH2 3.91Å; K120-W266 HydrophobicContact CG-CZ3 3.99Å; D264-W266 VanDerWaalsContact C-CD1 3.44Å; D264-W266 PolarHBondContact O-NE1 3.37Å; W266-K268 PolarHBondContact O-N 2.84Å
267	K	49.2	Very low	57.8	Low	218 Å²	218	96.5 Å²	96.5	95%	0.948	51%	0.506	S	S	*	.			trans	-67.8	83.9	161.1	-80.1	-169.6	174	-175.8	0	109.4
268	K	55.4	Low	58	Low	117 Å²	117	97 Å²	97	51%	0.509	51%	0.513	S	S	.	.			trans	-75.6	126.2	-175.9	-167	168.8	-174.2	165.3	0	111.5	W266	W266-K268 PolarHBondContact O-N 2.84Å
269	T	60	Low	59.1	Low	106 Å²	106	94.5 Å²	94.5	65%	0.65	50%	0.5	S	S	*	.			trans	-100.4	108.5	159.8	-61.1	0	0	0	0	107	F271	T269-F271 HydrophobicContact CG2-CE1 4.25Å; T269-F271 HydrophobicContact CG2-CE2 4.11Å; T269-F271 HydrophobicContact CG2-CZ 3.85Å
270	T	64.2	Low	60.8	Low	112 Å²	112	93.1 Å²	93.1	69%	0.687	49%	0.493	S	S	*	.	P	Polyproline II helix	trans	-87.6	123.4	179.4	-54.2	0	0	0	0	109.6
271	F	75.2	Confident	62.8	Low	150 Å²	150	91.8 Å²	91.8	66%	0.658	48%	0.484	S	S	*	.	P	Polyproline II helix	trans	-92.4	160.5	171.1	-60.1	-83.2	0	0	0	110.4	T269	T269-F271 HydrophobicContact CG2-CE1 4.25Å; T269-F271 HydrophobicContact CG2-CE2 4.11Å; T269-F271 HydrophobicContact CG2-CZ 3.85Å
272	S	74.5	Confident	64.9	Low	115 Å²	115	90.4 Å²	90.4	80%	0.804	48%	0.477	S	S	*	.	P	Polyproline II helix	trans	-63.5	146.1	167	-54.4	0	0	0	0	110.2	T274	S272-T274 PolarHBondContact O-N 3.26Å
273	H	77.6	Confident	67.1	Low	188 Å²	188	87.6 Å²	87.6	87%	0.87	46%	0.464	S	S	*	.	P	Polyproline II helix	trans	-54.8	127.7	174.4	-164.9	-67.8	0	0	0	110
274	T	77.3	Confident	69.3	Low	87 Å²	87	88.1 Å²	88.1	53%	0.534	46%	0.462	S	S	.	.	P	Polyproline II helix	trans	-70.6	162.8	176.4	44.8	0	0	0	0	110.8	S272	S272-T274 PolarHBondContact O-N 3.26Å
275	K	82.6	Confident	71.5	Confident	95 Å²	95	85.1 Å²	85.1	41%	0.413	45%	0.447	S	S	.	.	P	Polyproline II helix	trans	-69.6	166.4	159.3	-74.2	-174.2	177.5	164.5	0	109.8	L277 D338 Y525	K275-L277 PolarHBondContact O-N 3.06Å; K275-D338 WeakPolarHBondContact CD-OD2 3.46Å; K275-D338 WeakPolarHBondContact CE-OD1 3.4Å; K275-D338 WeakPolarHBondContact CE-OD2 3.37Å; K275-D338 IonicContact NZ-OD1 2.68Å; K275-D338 PolarHBondContact NZ-OD1 3.08Å; K275-D338 IonicContact NZ-OD2 3.93Å; K275-D338 PolarHBondContact NZ-OD2 3.41Å; K275-Y525 HydrophobicContact CB-CD1 4.46Å; K275-Y525 HydrophobicContact CB-CE1 3.96Å; K275-Y525 HydrophobicContact CD-CE1 3.74Å; K275-Y525 HydrophobicContact CD-CE2 4.28Å; K275-Y525 VanDerWaalsContact CD-CZ 3.47Å; K275-Y525 WeakPolarHBondContact CD-OH 3.15Å; K275-Y525 PolarHBondContact NZ-OH 2.8Å
276	Q	81.7	Confident	73.6	Confident	147 Å²	147	85.2 Å²	85.2	69%	0.687	43%	0.434	S	S	*	.	S	Bend	trans	-47.8	127.4	172.7	-179.4	-179.9	-8	0	0	110.4	Y525	Q276-Y525 WeakPolarHBondContact O-CD1 3.41Å
277	L	81.4	Confident	75.3	Confident	29 Å²	29	79.8 Å²	79.8	15%	0.152	42%	0.424	C	S	.	.			trans	-129.7	159.2	-173.9	178	68.1	0	0	0	108.8	E259 K275 L281 L282 T358	E259-L277 VanDerWaalsContact OE1-CB 3.22Å; E259-L277 WeakPolarHBondContact OE1-CB 3.4Å; E259-L277 WeakPolarHBondContact OE1-CD2 3.3Å; E259-L277 WeakPolarHBondContact OE1-CG 3.33Å; E259-L277 WeakPolarHBondContact OE2-CB 3.41Å; K275-L277 PolarHBondContact O-N 3.06Å; L277-L281 HydrophobicContact CD1-CB 3.74Å; L277-L281 HydrophobicContact CD1-CD1 3.91Å; L277-L281 HydrophobicContact CD1-CG 4.49Å; L277-L281 HydrophobicContact CG-CB 4.32Å; L277-L282 HydrophobicContact CD2-CB 4.15Å; L277-L282 HydrophobicContact CD2-CD1 4.27Å; L277-T358 VanDerWaalsContact CD1-CB 3.49Å; L277-T358 HydrophobicContact CD1-CG2 4.21Å; L277-T358 WeakPolarHBondContact CD1-OG1 3.35Å
278	A	81.5	Confident	76.8	Confident	26 Å²	26	74.9 Å²	74.9	22%	0.215	40%	0.404	C	S	.	.			trans	-101.9	106.9	164.8	0	0	0	0	0	106.8	H280 L281 T401	A278-H280 PolarHBondContact O-N 3.5Å; A278-L281 HydrophobicContact CB-CD1 4.24Å; A278-L281 WeakPolarHBondContact O-CB 3.34Å; A278-L281 VanDerWaalsContact O-CG 3.22Å; A278-L281 WeakPolarHBondContact O-CG 3.4Å; A278-L281 PolarHBondContact O-N 2.93Å; A278-T401 HydrophobicContact CB-CG2 3.98Å
279	P	75.9	Confident	78.3	Confident	6 Å²	6	71 Å²	71	4%	0.039	39%	0.388	C	S	.	.	G	3₁₀ helix	trans	-71.9	4.5	-162.9	23.6	-33.3	0	0	0	116.3	D258 E259 L281 L282	D258-P279 HydrophobicContact CB-CG 3.2Å; E259-P279 HydrophobicContact CB-CB 4.45Å; E259-P279 HydrophobicContact CB-CG 3.91Å; E259-P279 HydrophobicContact CG-CB 3.87Å; E259-P279 HydrophobicContact CG-CG 3.87Å; E259-P279 WeakPolarHBondContact OE1-CA 3.46Å; E259-P279 WeakPolarHBondContact OE1-CB 3.22Å; E259-P279 VanDerWaalsContact OE1-CD 3.23Å; E259-P279 WeakPolarHBondContact OE1-CD 3.32Å; P279-L281 PolarHBondContact O-N 3.17Å; P279-L281 VanDerWaalsContact O-N 3.15Å; P279-L282 HydrophobicContact CB-CB 3.82Å; P279-L282 HydrophobicContact CB-CD2 4.37Å; P279-L282 WeakPolarHBondContact O-CB 3.41Å; P279-L282 PolarHBondContact O-N 2.78Å
280	H	76.5	Confident	79.7	Confident	15 Å²	15	67.2 Å²	67.2	7%	0.069	37%	0.368	C	S	.	.	G	3₁₀ helix	trans	-60.6	-10.4	154	79.5	-90	0	0	0	112.4	V245 G246 A278 W405	V245-H280 WeakPolarHBondContact CB-O 3.47Å; V245-H280 WeakPolarHBondContact CG1-O 3.16Å; G246-H280 PolarHBondContact N-O 2.84Å; A278-H280 PolarHBondContact O-N 3.5Å; H280-W405 HydrophobicContact CB-CH2 4.43Å
281	L	82.4	Confident	81.2	Confident	11 Å²	11	67 Å²	67	6%	0.058	36%	0.355	C	S	.	.	G	3₁₀ helix	trans	-106	0.3	173.4	-53.7	169.5	0	0	0	113.9	V245 L277 A278 P279 A283 A357 N398 T401	V245-L281 VanDerWaalsContact CG1-C 3.44Å; L277-L281 HydrophobicContact CD1-CB 3.74Å; L277-L281 HydrophobicContact CD1-CD1 3.91Å; L277-L281 HydrophobicContact CD1-CG 4.49Å; L277-L281 HydrophobicContact CG-CB 4.32Å; A278-L281 HydrophobicContact CB-CD1 4.24Å; A278-L281 WeakPolarHBondContact O-CB 3.34Å; A278-L281 VanDerWaalsContact O-CG 3.22Å; A278-L281 WeakPolarHBondContact O-CG 3.4Å; A278-L281 PolarHBondContact O-N 2.93Å; P279-L281 PolarHBondContact O-N 3.17Å; P279-L281 VanDerWaalsContact O-N 3.15Å; L281-A283 PolarHBondContact O-N 3.06Å; L281-A357 WeakPolarHBondContact O-CB 3.11Å; L281-N398 HydrophobicContact CD1-CB 4.18Å; L281-N398 WeakPolarHBondContact CD2-OD1 3.46Å; L281-T401 HydrophobicContact CD1-CG2 4.18Å
282	L	80.7	Confident	82	Confident	46 Å²	46	61.9 Å²	61.9	24%	0.241	33%	0.333	C	S	.	.			trans	-79.7	108.1	178.6	178.6	61.2	0	0	0	110.3	V245 W253 P260 L277 P279	V245-L282 VanDerWaalsContact CG1-C 3.42Å; V245-L282 WeakPolarHBondContact CG1-O 3.36Å; W253-L282 HydrophobicContact CH2-CD2 4.03Å; W253-L282 HydrophobicContact CH2-CG 4.26Å; W253-L282 HydrophobicContact CZ2-CB 4.38Å; W253-L282 HydrophobicContact CZ2-CD2 3.9Å; W253-L282 HydrophobicContact CZ2-CG 3.91Å; P260-L282 HydrophobicContact CG-CD2 4.38Å; L277-L282 HydrophobicContact CD2-CB 4.15Å; L277-L282 HydrophobicContact CD2-CD1 4.27Å; P279-L282 HydrophobicContact CB-CB 3.82Å; P279-L282 HydrophobicContact CB-CD2 4.37Å; P279-L282 WeakPolarHBondContact O-CB 3.41Å; P279-L282 PolarHBondContact O-N 2.78Å
283	A	81.7	Confident	83	Confident	19 Å²	19	59.6 Å²	59.6	16%	0.157	31%	0.309	C	S	.	.			trans	-126.8	162.9	179	0	0	0	0	0	112.9	V245 L281 A357 L360	V245-A283 HydrophobicContact CB-CB 4.49Å; V245-A283 HydrophobicContact CG1-CB 3.68Å; V245-A283 HydrophobicContact CG2-CB 4.04Å; L281-A283 PolarHBondContact O-N 3.06Å; A283-A357 HydrophobicContact CB-CB 3.55Å; A283-L360 HydrophobicContact CB-CD2 4.06Å
284	F	83.5	Confident	83.7	Confident	50 Å²	50	52 Å²	52	22%	0.219	28%	0.275	C	S	.	.			trans	-147.7	162.2	167.8	63.2	-93.5	0	0	0	109.7	L119 L241 V243 W253 V286	L119-F284 HydrophobicContact CD2-CE1 3.77Å; L119-F284 HydrophobicContact CD2-CE2 4.42Å; L119-F284 HydrophobicContact CD2-CZ 3.37Å; L241-F284 HydrophobicContact CD2-CE2 3.73Å; L241-F284 HydrophobicContact CD2-CZ 4.23Å; V243-F284 HydrophobicContact CB-CE1 4.35Å; V243-F284 HydrophobicContact CG2-CD1 4.17Å; V243-F284 HydrophobicContact CG2-CE1 3.43Å; V243-F284 VanDerWaalsContact CG2-CE1 3.43Å; V243-F284 HydrophobicContact CG2-CE2 4.3Å; V243-F284 HydrophobicContact CG2-CZ 3.49Å; V243-F284 VanDerWaalsContact CG2-CZ 3.49Å; V243-F284 PolarHBondContact N-O 2.81Å; W253-F284 HydrophobicContact CE3-CE1 4.08Å; W253-F284 HydrophobicContact CH2-CD1 4.38Å; W253-F284 HydrophobicContact CH2-CE1 4.13Å; W253-F284 HydrophobicContact CZ3-CD1 4.45Å; W253-F284 AromaticContact CZ3-CE1 3.79Å; W253-F284 HydrophobicContact CZ3-CE1 3.79Å; F284-V286 HydrophobicContact CD2-CG2 4.04Å; F284-V286 HydrophobicContact CE2-CG2 4.43Å
285	V	81.9	Confident	84.3	Confident	32 Å²	32	52.8 Å²	52.8	19%	0.194	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.4	135.9	169.4	-178.9	0	0	0	0	108.3	A242 L289 V344 L346 V362	A242-V285 HydrophobicContact CB-CG1 4.41Å; A242-V285 HydrophobicContact CB-CG2 4.08Å; V285-L289 HydrophobicContact CG1-CD1 4.17Å; V285-V344 HydrophobicContact CG1-CG1 4.3Å; V285-V344 HydrophobicContact CG2-CG2 4.46Å; V285-L346 HydrophobicContact CG1-CD2 4.34Å; V285-V362 HydrophobicContact CG2-CG2 4.02Å
286	V	80.8	Confident	84.4	Confident	72 Å²	72	49 Å²	49	44%	0.436	27%	0.265	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.7	128.8	173.7	-179.3	0	0	0	0	109.9	L241 F284	L241-V286 PolarHBondContact N-O 2.87Å; L241-V286 PolarHBondContact O-N 2.89Å; F284-V286 HydrophobicContact CD2-CG2 4.04Å; F284-V286 HydrophobicContact CE2-CG2 4.43Å
287	G	77.4	Confident	84	Confident	35 Å²	35	45.9 Å²	45.9	36%	0.361	26%	0.26	S	S	.	.	S	Bend	trans	173.1	-174.4	173	0	0	0	0	0	112.7	L289	G287-L289 PolarHBondContact O-N 2.82Å; G287-L289 VanDerWaalsContact O-N 3.15Å
288	H	80.4	Confident	83.7	Confident	115 Å²	115	51.7 Å²	51.7	53%	0.532	28%	0.279	S	S	.	.	S	Bend	trans	-82.9	88.3	177.7	-171.1	62.1	0	0	0	110.1
289	L	87.6	Confident	83.8	Confident	34 Å²	34	53.7 Å²	53.7	18%	0.178	29%	0.292	C	S	.	.			trans	-117.6	143.8	-179.8	-62.7	170.5	0	0	0	110.7	F240 V285 G287 W305 L306 V344	F240-L289 HydrophobicContact CE1-CD1 4.44Å; F240-L289 HydrophobicContact CE1-CD2 3.47Å; F240-L289 VanDerWaalsContact CE1-CD2 3.47Å; F240-L289 HydrophobicContact CE1-CG 3.78Å; F240-L289 HydrophobicContact CZ-CD2 3.67Å; F240-L289 HydrophobicContact CZ-CG 4.44Å; V285-L289 HydrophobicContact CG1-CD1 4.17Å; G287-L289 PolarHBondContact O-N 2.82Å; G287-L289 VanDerWaalsContact O-N 3.15Å; L289-W305 HydrophobicContact CB-CE3 3.89Å; L289-W305 HydrophobicContact CD1-CB 4.25Å; L289-L306 CarbonylContact C-O 3.6Å; L289-L306 WeakPolarHBondContact CA-O 3.18Å; L289-L306 VanDerWaalsContact CD2-C 3.5Å; L289-L306 WeakPolarHBondContact CD2-O 3.15Å; L289-V344 HydrophobicContact CD1-CG1 3.86Å
290	A	90	Very high	84.3	Confident	27 Å²	27	54.5 Å²	54.5	22%	0.223	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.3	163.7	161.2	0	0	0	0	0	109.3	W305 L306 P308 I311	A290-W305 WeakPolarHBondContact O-CA 3.49Å; A290-L306 PolarHBondContact N-O 3.42Å; A290-L306 PolarHBondContact O-N 3.17Å; A290-P308 HydrophobicContact CB-CB 4.2Å; A290-P308 HydrophobicContact CB-CG 4.15Å; A290-I311 HydrophobicContact CB-CB 4.05Å; A290-I311 HydrophobicContact CB-CG1 4.1Å; A290-I311 HydrophobicContact CB-CG2 3.81Å
291	Y	93.9	Very high	85.1	Confident	107 Å²	107	58.1 Å²	58.1	42%	0.42	32%	0.317	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.5	152.8	175.3	71.4	-80.1	0	0	0	113.1	E293 R303 L304 W305	Y291-E293 HydrophobicContact CD2-CB 4.26Å; Y291-E293 HydrophobicContact CE2-CB 4.16Å; Y291-R303 HydrophobicContact CD2-CB 4.45Å; Y291-R303 HydrophobicContact CD2-CG 4.06Å; Y291-R303 HydrophobicContact CE2-CG 4.4Å; Y291-L304 WeakPolarHBondContact CA-O 3.35Å; Y291-L304 WeakPolarHBondContact CB-O 3.36Å; Y291-W305 HydrophobicContact CD1-CD2 4.34Å; Y291-W305 AromaticContact CD1-CE3 3.94Å; Y291-W305 HydrophobicContact CD1-CE3 3.94Å; Y291-W305 AromaticContact CD1-CH2 3.46Å; Y291-W305 HydrophobicContact CD1-CH2 3.46Å; Y291-W305 VanDerWaalsContact CD1-CH2 3.46Å; Y291-W305 AromaticContact CD1-CZ2 3.89Å; Y291-W305 HydrophobicContact CD1-CZ2 3.89Å; Y291-W305 AromaticContact CD1-CZ3 3.48Å; Y291-W305 HydrophobicContact CD1-CZ3 3.48Å; Y291-W305 VanDerWaalsContact CD1-CZ3 3.48Å; Y291-W305 AromaticContact CE1-CH2 3.83Å; Y291-W305 HydrophobicContact CE1-CH2 3.83Å; Y291-W305 HydrophobicContact CE1-CZ2 4.34Å; Y291-W305 HydrophobicContact CE1-CZ3 4.19Å; Y291-W305 HydrophobicContact CG-CD2 4.16Å; Y291-W305 HydrophobicContact CG-CE3 4.18Å; Y291-W305 HydrophobicContact CG-CH2 4.05Å; Y291-W305 HydrophobicContact CG-CZ2 4.01Å; Y291-W305 HydrophobicContact CG-CZ3 4.13Å
292	K	93.4	Very high	85.7	Confident	44 Å²	44	57.6 Å²	57.6	19%	0.191	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110	146	160.9	-77.2	-179.3	-180	-170.8	0	108.6	R303 L304 I311 E312 L318	K292-R303 WeakPolarHBondContact O-CA 3.34Å; K292-L304 PolarHBondContact N-O 2.8Å; K292-L304 PolarHBondContact O-N 3.22Å; K292-I311 WeakPolarHBondContact CD-O 3.4Å; K292-I311 VanDerWaalsContact CE-O 3.27Å; K292-I311 WeakPolarHBondContact CE-O 3.19Å; K292-I311 HydrophobicContact CG-CG1 4.13Å; K292-E312 WeakPolarHBondContact CE-OE1 3.36Å; K292-E312 WeakPolarHBondContact CE-OE2 3.22Å; K292-E312 VanDerWaalsContact NZ-CD 3.27Å; K292-E312 PolarHBondContact NZ-O 2.87Å; K292-E312 IonicContact NZ-OE1 3.65Å; K292-E312 PolarHBondContact NZ-OE1 3.42Å; K292-E312 IonicContact NZ-OE2 3.71Å; K292-E312 PolarHBondContact NZ-OE2 2.89Å; K292-L318 HydrophobicContact CB-CD2 3.72Å
293	E	94.2	Very high	86.3	Confident	66 Å²	66	57.7 Å²	57.7	31%	0.308	31%	0.311	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.1	140.4	-178.1	-176.6	-178.4	105.6	0	0	109.8	Y291 K301 L302 R303	Y291-E293 HydrophobicContact CD2-CB 4.26Å; Y291-E293 HydrophobicContact CE2-CB 4.16Å; E293-K301 HydrophobicContact CG-CB 4.08Å; E293-K301 HydrophobicContact CG-CG 4.33Å; E293-K301 IonicContact OE1-NZ 2.61Å; E293-K301 PolarHBondContact OE1-NZ 2.75Å; E293-K301 IonicContact OE2-NZ 3.38Å; E293-L302 WeakPolarHBondContact CA-O 3.44Å; E293-R303 HydrophobicContact CB-CG 4.1Å; E293-R303 HydrophobicContact CG-CG 3.94Å; E293-R303 IonicContact OE2-CZ 2.75Å; E293-R303 IonicContact OE2-NE 2.66Å; E293-R303 PolarHBondContact OE2-NE 2.82Å; E293-R303 IonicContact OE2-NH2 3.13Å; E293-R303 PolarHBondContact OE2-NH2 3.27Å
294	I	92.2	Very high	86.9	Confident	28 Å²	28	56.8 Å²	56.8	14%	0.144	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.7	149.9	164.4	54.8	177	0	0	0	110.1	L302 L318	I294-L302 HydrophobicContact CD1-CD2 4.37Å; I294-L302 HydrophobicContact CG1-CB 4.17Å; I294-L302 HydrophobicContact CG1-CD2 4.47Å; I294-L302 PolarHBondContact N-O 2.71Å; I294-L302 PolarHBondContact O-N 2.9Å; I294-L318 HydrophobicContact CD1-CD1 4.12Å; I294-L318 HydrophobicContact CD1-CG 3.8Å; I294-L318 HydrophobicContact CG1-CD1 3.95Å; I294-L318 HydrophobicContact CG1-CD2 4.18Å; I294-L318 HydrophobicContact CG1-CG 3.87Å; I294-L318 HydrophobicContact CG2-CD2 4.09Å; I294-L318 HydrophobicContact CG2-CG 4.47Å
295	P	90.1	Very high	87.4	Confident	104 Å²	104	57.1 Å²	57.1	68%	0.675	30%	0.304	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-64.6	144.6	170.3	29.4	-35.1	0	0	0	110.1
296	K	85.6	Confident	87.9	Confident	17 Å²	17	55.6 Å²	55.6	7%	0.074	29%	0.294	C	S	.	.			trans	-70.7	158.2	165.6	-90.6	-174.9	48.6	177.9	0	111	R298 S299 G300 L325 E329 D335 V337	K296-R298 PolarHBondContact O-N 3.03Å; K296-S299 WeakPolarHBondContact CB-O 3.43Å; K296-S299 WeakPolarHBondContact CD-O 3.41Å; K296-S299 WeakPolarHBondContact CE-O 3.47Å; K296-S299 PolarHBondContact NZ-O 3.2Å; K296-G300 PolarHBondContact N-O 3.12Å; K296-L325 HydrophobicContact CD-CD2 3.97Å; K296-L325 HydrophobicContact CG-CD2 4.15Å; K296-E329 WeakPolarHBondContact CE-OE1 3.42Å; K296-E329 IonicContact NZ-OE1 2.79Å; K296-E329 PolarHBondContact NZ-OE1 3.04Å; K296-E329 IonicContact NZ-OE2 3.78Å; K296-D335 IonicContact NZ-OD1 3.28Å; K296-D335 PolarHBondContact NZ-OD1 2.8Å; K296-D335 IonicContact NZ-OD2 3.84Å; K296-D335 PolarHBondContact NZ-OD2 3.02Å; K296-D335 VanDerWaalsContact NZ-OD2 3.11Å; K296-V337 HydrophobicContact CD-CB 3.98Å; K296-V337 HydrophobicContact CD-CG1 4.02Å; K296-V337 PolarHBondContact NZ-O 3.35Å
297	S	73.8	Confident	88.3	Confident	81 Å²	81	52.1 Å²	52.1	57%	0.566	27%	0.274	S	S	*	.	S	Bend	trans	-57.1	-27.5	173.5	-178.7	0	0	0	0	114.6	N326	S297-N326 WeakPolarHBondContact CB-OD1 3.12Å; S297-N326 PolarHBondContact OG-OD1 3.06Å
298	R	75.3	Confident	88.8	Confident	150 Å²	150	53 Å²	53	57%	0.566	27%	0.273	S	S	*	.	S	Bend	trans	-114.7	-70.4	-174.7	-67.4	173.7	174.4	-84.4	-3.9	113.1	K296 N330 D335	K296-R298 PolarHBondContact O-N 3.03Å; R298-N330 PolarHBondContact NH2-OD1 3.26Å; R298-D335 WeakPolarHBondContact CB-OD2 3.43Å
299	S	81.7	Confident	89.1	Confident	69 Å²	69	50.5 Å²	50.5	48%	0.483	27%	0.269	S	S	.	.	S	Bend	trans	-149.8	154.2	178.8	178.2	0	0	0	0	109.4	K296 D338	K296-S299 WeakPolarHBondContact CB-O 3.43Å; K296-S299 WeakPolarHBondContact CD-O 3.41Å; K296-S299 WeakPolarHBondContact CE-O 3.47Å; K296-S299 PolarHBondContact NZ-O 3.2Å; S299-D338 PolarHBondContact OG-O 2.97Å
300	G	87.3	Confident	89	Confident	23 Å²	23	50.4 Å²	50.4	24%	0.237	27%	0.267	C	S	.	.	S	Bend	trans	82.9	-172.8	177.2	0	0	0	0	0	114.9	K296 A339	K296-G300 PolarHBondContact N-O 3.12Å; G300-A339 CarbonylContact C-O 3.58Å; G300-A339 WeakPolarHBondContact CA-O 3.29Å
301	K	93	Very high	88.9	Confident	90 Å²	90	49.6 Å²	49.6	39%	0.391	26%	0.259	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.4	133.4	-169.3	-68.3	159.3	173.3	-63.6	0	111.1	E293 A339 K340 L341	E293-K301 HydrophobicContact CG-CB 4.08Å; E293-K301 HydrophobicContact CG-CG 4.33Å; E293-K301 IonicContact OE1-NZ 2.61Å; E293-K301 PolarHBondContact OE1-NZ 2.75Å; E293-K301 IonicContact OE2-NZ 3.38Å; K301-A339 PolarHBondContact N-O 3.07Å; K301-K340 HydrophobicContact CB-CB 4.36Å; K301-K340 CarbonylContact O-C 3.06Å; K301-K340 WeakPolarHBondContact O-CA 3.33Å; K301-L341 PolarHBondContact O-N 2.69Å
302	L	94.4	Very high	88.4	Confident	0 Å²	0	51 Å²	51	0%	0	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.6	130.6	167.6	-178.4	66.4	0	0	0	109.1	E293 I294 L318 I321 L341 V343	E293-L302 WeakPolarHBondContact CA-O 3.44Å; I294-L302 HydrophobicContact CD1-CD2 4.37Å; I294-L302 HydrophobicContact CG1-CB 4.17Å; I294-L302 HydrophobicContact CG1-CD2 4.47Å; I294-L302 PolarHBondContact N-O 2.71Å; I294-L302 PolarHBondContact O-N 2.9Å; L302-L318 HydrophobicContact CB-CD1 4.4Å; L302-L318 HydrophobicContact CD2-CD1 3.72Å; L302-L318 HydrophobicContact CG-CD1 3.69Å; L302-I321 HydrophobicContact CD1-CG2 3.93Å; L302-I321 HydrophobicContact CD2-CB 4.05Å; L302-I321 HydrophobicContact CD2-CG2 3.69Å; L302-I321 HydrophobicContact CG-CG2 4.36Å; L302-L341 HydrophobicContact CD1-CB 4.04Å; L302-L341 HydrophobicContact CD1-CD2 3.79Å; L302-L341 HydrophobicContact CD1-CG 3.86Å; L302-V343 HydrophobicContact CD1-CG2 4.29Å
303	R	94.6	Very high	87.6	Confident	48 Å²	48	51.1 Å²	51.1	18%	0.181	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.5	136.4	179.1	-69	174	172.4	-169.9	-6.9	110.7	Y291 K292 E293 L341 D342 V343	Y291-R303 HydrophobicContact CD2-CB 4.45Å; Y291-R303 HydrophobicContact CD2-CG 4.06Å; Y291-R303 HydrophobicContact CE2-CG 4.4Å; K292-R303 WeakPolarHBondContact O-CA 3.34Å; E293-R303 HydrophobicContact CB-CG 4.1Å; E293-R303 HydrophobicContact CG-CG 3.94Å; E293-R303 IonicContact OE2-CZ 2.75Å; E293-R303 IonicContact OE2-NE 2.66Å; E293-R303 PolarHBondContact OE2-NE 2.82Å; E293-R303 IonicContact OE2-NH2 3.13Å; E293-R303 PolarHBondContact OE2-NH2 3.27Å; R303-L341 PolarHBondContact N-O 3.4Å; R303-D342 WeakPolarHBondContact CB-OD1 3.42Å; R303-D342 WeakPolarHBondContact CD-OD1 3.48Å; R303-V343 PolarHBondContact O-N 3.17Å
304	L	94.2	Very high	87	Confident	0 Å²	0	48 Å²	48	0%	0	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.8	122.7	169.8	-178.4	58.7	0	0	0	108.9	Y291 K292 I311 S314 L318 I321 V343 I368	Y291-L304 WeakPolarHBondContact CA-O 3.35Å; Y291-L304 WeakPolarHBondContact CB-O 3.36Å; K292-L304 PolarHBondContact N-O 2.8Å; K292-L304 PolarHBondContact O-N 3.22Å; L304-I311 VanDerWaalsContact O-CD1 3.31Å; L304-I311 WeakPolarHBondContact O-CD1 3.21Å; L304-S314 WeakPolarHBondContact CD2-O 3.48Å; L304-L318 HydrophobicContact CB-CB 4.22Å; L304-L318 HydrophobicContact CB-CD1 3.9Å; L304-L318 HydrophobicContact CB-CG 4.44Å; L304-L318 HydrophobicContact CD2-CB 4.01Å; L304-I321 HydrophobicContact CD1-CD1 4.12Å; L304-I321 HydrophobicContact CD2-CD1 4.26Å; L304-V343 CarbonylContact C-O 3.58Å; L304-V343 WeakPolarHBondContact CA-O 3.42Å; L304-V343 HydrophobicContact CD1-CB 3.88Å; L304-V343 HydrophobicContact CD1-CG1 3.71Å; L304-I368 HydrophobicContact CD1-CD1 4Å; L304-I368 HydrophobicContact CD1-CG1 4.38Å; L304-I368 HydrophobicContact CD1-CG2 3.93Å; L304-I368 HydrophobicContact CD2-CG2 3.92Å; L304-I368 HydrophobicContact CG-CG2 4.33Å
305	W	93.5	Very high	86.5	Confident	57 Å²	57	52.8 Å²	52.8	22%	0.216	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110	132.8	-177.8	-61.1	78.7	0	0	0	110.7	L289 A290 Y291 D342 V343 V344 G345	L289-W305 HydrophobicContact CB-CE3 3.89Å; L289-W305 HydrophobicContact CD1-CB 4.25Å; A290-W305 WeakPolarHBondContact O-CA 3.49Å; Y291-W305 HydrophobicContact CD1-CD2 4.34Å; Y291-W305 AromaticContact CD1-CE3 3.94Å; Y291-W305 HydrophobicContact CD1-CE3 3.94Å; Y291-W305 AromaticContact CD1-CH2 3.46Å; Y291-W305 HydrophobicContact CD1-CH2 3.46Å; Y291-W305 VanDerWaalsContact CD1-CH2 3.46Å; Y291-W305 AromaticContact CD1-CZ2 3.89Å; Y291-W305 HydrophobicContact CD1-CZ2 3.89Å; Y291-W305 AromaticContact CD1-CZ3 3.48Å; Y291-W305 HydrophobicContact CD1-CZ3 3.48Å; Y291-W305 VanDerWaalsContact CD1-CZ3 3.48Å; Y291-W305 AromaticContact CE1-CH2 3.83Å; Y291-W305 HydrophobicContact CE1-CH2 3.83Å; Y291-W305 HydrophobicContact CE1-CZ2 4.34Å; Y291-W305 HydrophobicContact CE1-CZ3 4.19Å; Y291-W305 HydrophobicContact CG-CD2 4.16Å; Y291-W305 HydrophobicContact CG-CE3 4.18Å; Y291-W305 HydrophobicContact CG-CH2 4.05Å; Y291-W305 HydrophobicContact CG-CZ2 4.01Å; Y291-W305 HydrophobicContact CG-CZ3 4.13Å; W305-D342 PolarHBondContact NE1-OD1 2.63Å; W305-V343 PolarHBondContact N-O 3.23Å; W305-V344 HydrophobicContact CB-CB 4.41Å; W305-V344 HydrophobicContact CB-CG1 4.2Å; W305-V344 HydrophobicContact CB-CG2 4.11Å; W305-V344 HydrophobicContact CG-CG2 4.33Å; W305-G345 PolarHBondContact O-N 3.14Å
306	L	91.8	Very high	85.9	Confident	0 Å²	0	50.5 Å²	50.5	0%	0	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-148	172.7	-179.2	-73.2	177.9	0	0	0	110.9	L289 A290 F310 I311 E365 I368 I369	L289-L306 CarbonylContact C-O 3.6Å; L289-L306 WeakPolarHBondContact CA-O 3.18Å; L289-L306 VanDerWaalsContact CD2-C 3.5Å; L289-L306 WeakPolarHBondContact CD2-O 3.15Å; A290-L306 PolarHBondContact N-O 3.42Å; A290-L306 PolarHBondContact O-N 3.17Å; L306-F310 HydrophobicContact CD1-CB 4.35Å; L306-I311 HydrophobicContact CB-CB 4.45Å; L306-I311 HydrophobicContact CB-CD1 3.97Å; L306-I311 HydrophobicContact CD1-CD1 4.44Å; L306-I311 HydrophobicContact CG-CD1 4.37Å; L306-E365 HydrophobicContact CD2-CG 3.95Å; L306-I368 HydrophobicContact CD1-CG2 3.97Å; L306-I368 HydrophobicContact CD2-CG2 3.98Å; L306-I368 HydrophobicContact CG-CG2 4.33Å; L306-I369 HydrophobicContact CD1-CG1 4.42Å
307	R	89.3	Confident	85.7	Confident	0 Å²	0	49.8 Å²	49.8	0%	0	26%	0.258	C	S	.	.			trans	-55.5	141.1	162.2	-67.5	-173.4	-69.6	151.8	-15.7	110.4	Y231 F240 S309 F310 I311 E365 D805	Y231-R307 VanDerWaalsContact CD2-CD 3.49Å; Y231-R307 VanDerWaalsContact CE2-CD 3.41Å; Y231-R307 HydrophobicContact CE2-CG 4.18Å; F240-R307 HydrophobicContact CE2-CG 4.23Å; F240-R307 HydrophobicContact CZ-CG 3.97Å; R307-S309 PolarHBondContact O-N 3.43Å; R307-S309 VanDerWaalsContact O-N 3.09Å; R307-F310 HydrophobicContact CB-CD2 4.39Å; R307-F310 PolarHBondContact O-N 3.11Å; R307-I311 PolarHBondContact O-N 3.35Å; R307-E365 WeakPolarHBondContact CG-OE1 3.46Å; R307-E365 IonicContact CZ-OE1 3.32Å; R307-E365 IonicContact CZ-OE2 3.01Å; R307-E365 IonicContact NE-OE1 2.71Å; R307-E365 PolarHBondContact NE-OE1 3.03Å; R307-E365 IonicContact NE-OE2 2.74Å; R307-E365 PolarHBondContact NE-OE2 3.08Å; R307-E365 IonicContact NH2-OE1 3.07Å; R307-E365 IonicContact NH2-OE2 3.18Å; R307-E365 PolarHBondContact NH2-OE2 3.29Å; R307-D805 IonicContact CZ-OD1 3.42Å; R307-D805 VanDerWaalsContact CZ-OD1 3.29Å; R307-D805 IonicContact CZ-OD2 3.16Å; R307-D805 IonicContact NH1-OD1 2.75Å; R307-D805 PolarHBondContact NH1-OD1 3.43Å; R307-D805 IonicContact NH1-OD2 2.85Å; R307-D805 PolarHBondContact NH1-OD2 3.19Å; R307-D805 PolarHBondContact NH2-O 2.88Å; R307-D805 IonicContact NH2-OD1 3.48Å; R307-D805 PolarHBondContact NH2-OD1 3.05Å; R307-D805 IonicContact NH2-OD2 2.67Å
308	P	88.6	Confident	86.4	Confident	52 Å²	52	46 Å²	46	34%	0.338	23%	0.232	S	C	.	.	T	Hydrogen-bonded Turn	trans	-57	-27	-178.7	-25.9	34.8	0	0	0	114.6	A290 F310	A290-P308 HydrophobicContact CB-CB 4.2Å; A290-P308 HydrophobicContact CB-CG 4.15Å; P308-F310 VanDerWaalsContact C-N 3.29Å; P308-F310 PolarHBondContact O-N 2.95Å
309	S	85.9	Confident	86.8	Confident	64 Å²	64	40.1 Å²	40.1	45%	0.448	21%	0.212	S	C	.	.	T	Hydrogen-bonded Turn	trans	-63.1	-25.8	174	34.9	0	0	0	0	114.5	E233 R307	E233-S309 WeakPolarHBondContact OE1-CB 3.42Å; E233-S309 PolarHBondContact OE1-OG 3.25Å; R307-S309 PolarHBondContact O-N 3.43Å; R307-S309 VanDerWaalsContact O-N 3.09Å
310	F	86.9	Confident	86.8	Confident	32 Å²	32	37.3 Å²	37.3	14%	0.14	19%	0.192	C	C	.	.	T	Hydrogen-bonded Turn	trans	-116	-12.3	-174.2	-70.2	-83.9	0	0	0	114.7	L306 R307 P308 E312 A313 I369	L306-F310 HydrophobicContact CD1-CB 4.35Å; R307-F310 HydrophobicContact CB-CD2 4.39Å; R307-F310 PolarHBondContact O-N 3.11Å; P308-F310 VanDerWaalsContact C-N 3.29Å; P308-F310 PolarHBondContact O-N 2.95Å; F310-E312 PolarHBondContact O-N 3.44Å; F310-E312 VanDerWaalsContact O-N 3.17Å; F310-A313 PolarHBondContact O-N 2.85Å; F310-I369 HydrophobicContact CB-CD1 4.03Å; F310-I369 HydrophobicContact CB-CG1 4.4Å; F310-I369 HydrophobicContact CD1-CD1 3.62Å; F310-I369 HydrophobicContact CD1-CG1 4.38Å; F310-I369 HydrophobicContact CD1-CG2 4.19Å; F310-I369 HydrophobicContact CE1-CD1 4.21Å; F310-I369 HydrophobicContact CG-CD1 3.8Å
311	I	87.5	Confident	86.9	Confident	10 Å²	10	36.4 Å²	36.4	5%	0.051	18%	0.182	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62.5	-25.5	-175.1	-163.3	61.9	0	0	0	114.1	A290 K292 L304 L306 R307 S314	A290-I311 HydrophobicContact CB-CB 4.05Å; A290-I311 HydrophobicContact CB-CG1 4.1Å; A290-I311 HydrophobicContact CB-CG2 3.81Å; K292-I311 WeakPolarHBondContact CD-O 3.4Å; K292-I311 VanDerWaalsContact CE-O 3.27Å; K292-I311 WeakPolarHBondContact CE-O 3.19Å; K292-I311 HydrophobicContact CG-CG1 4.13Å; L304-I311 VanDerWaalsContact O-CD1 3.31Å; L304-I311 WeakPolarHBondContact O-CD1 3.21Å; L306-I311 HydrophobicContact CB-CB 4.45Å; L306-I311 HydrophobicContact CB-CD1 3.97Å; L306-I311 HydrophobicContact CD1-CD1 4.44Å; L306-I311 HydrophobicContact CG-CD1 4.37Å; R307-I311 PolarHBondContact O-N 3.35Å; I311-S314 PolarHBondContact O-OG 2.89Å
312	E	84	Confident	86.7	Confident	135 Å²	135	33.1 Å²	33.1	63%	0.631	17%	0.17	S	C	*	.	T	Hydrogen-bonded Turn	trans	-70	-38.7	-180	-78.1	-51.6	118.8	0	0	112.9	K292 F310 S314	K292-E312 WeakPolarHBondContact CE-OE1 3.36Å; K292-E312 WeakPolarHBondContact CE-OE2 3.22Å; K292-E312 VanDerWaalsContact NZ-CD 3.27Å; K292-E312 PolarHBondContact NZ-O 2.87Å; K292-E312 IonicContact NZ-OE1 3.65Å; K292-E312 PolarHBondContact NZ-OE1 3.42Å; K292-E312 IonicContact NZ-OE2 3.71Å; K292-E312 PolarHBondContact NZ-OE2 2.89Å; F310-E312 PolarHBondContact O-N 3.44Å; F310-E312 VanDerWaalsContact O-N 3.17Å; E312-S314 VanDerWaalsContact C-N 3.34Å; E312-S314 PolarHBondContact O-N 2.9Å
313	A	76.1	Confident	86.3	Confident	47 Å²	47	33.2 Å²	33.2	39%	0.388	17%	0.171	S	C	.	.	T	Hydrogen-bonded Turn	trans	-70.1	-28.1	179	0	0	0	0	0	113.3	F310 Y315	F310-A313 PolarHBondContact O-N 2.85Å; A313-Y315 PolarHBondContact O-N 2.95Å
314	S	81.3	Confident	85.9	Confident	1 Å²	1	31 Å²	31	1%	0.007	16%	0.163	C	C	.	.	T	Hydrogen-bonded Turn	trans	-77.5	14	-167.2	78	0	0	0	0	115.9	L304 I311 E312 S317 L318	L304-S314 WeakPolarHBondContact CD2-O 3.48Å; I311-S314 PolarHBondContact O-OG 2.89Å; E312-S314 VanDerWaalsContact C-N 3.34Å; E312-S314 PolarHBondContact O-N 2.9Å; S314-S317 PolarHBondContact O-N 3.12Å; S314-L318 PolarHBondContact O-N 2.63Å
315	Y	81.9	Confident	85.8	Confident	129 Å²	129	31.1 Å²	31.1	51%	0.506	16%	0.164	S	C	.	.	H	α-helix	trans	-64.2	-41.8	178.3	-178.4	-100.4	0	0	0	111.8	A313 S317 L318 T319	A313-Y315 PolarHBondContact O-N 2.95Å; Y315-S317 VanDerWaalsContact C-N 3.31Å; Y315-S317 PolarHBondContact O-N 2.78Å; Y315-L318 PolarHBondContact O-N 3.42Å; Y315-T319 HydrophobicContact CD1-CG2 4.42Å; Y315-T319 HydrophobicContact CE1-CG2 3.91Å; Y315-T319 HydrophobicContact CE2-CG2 4.45Å; Y315-T319 PolarHBondContact O-N 2.64Å; Y315-T319 PolarHBondContact O-OG1 2.92Å
316	Q	76.5	Confident	85.6	Confident	55 Å²	55	29.8 Å²	29.8	26%	0.257	16%	0.161	S	C	.	.	H	α-helix	trans	-61	-40.9	177.7	-59.1	174.9	1.9	0	0	111.5	T319 T320 L435	Q316-T319 WeakPolarHBondContact CA-OG1 3.46Å; Q316-T319 PolarHBondContact O-N 3.03Å; Q316-T319 PolarHBondContact O-OG1 2.86Å; Q316-T320 WeakPolarHBondContact O-CB 3.4Å; Q316-T320 PolarHBondContact O-N 3.06Å; Q316-T320 PolarHBondContact O-OG1 3Å; Q316-L435 HydrophobicContact CG-CD2 3.72Å
317	S	83.3	Confident	85.4	Confident	3 Å²	3	30.3 Å²	30.3	2%	0.021	17%	0.165	C	C	.	.	H	α-helix	trans	-64.5	-45.3	176	-25.8	0	0	0	0	111	S314 Y315 T319 T320 I321 I368	S314-S317 PolarHBondContact O-N 3.12Å; Y315-S317 VanDerWaalsContact C-N 3.31Å; Y315-S317 PolarHBondContact O-N 2.78Å; S317-T319 PolarHBondContact O-N 2.83Å; S317-T320 PolarHBondContact O-N 3.48Å; S317-I321 WeakPolarHBondContact O-CD1 3.36Å; S317-I321 WeakPolarHBondContact O-CG1 3.32Å; S317-I321 PolarHBondContact O-N 3.02Å; S317-I368 WeakPolarHBondContact CB-O 3.25Å; S317-I368 PolarHBondContact OG-O 3.06Å
318	L	88.2	Confident	85.5	Confident	1 Å²	1	30.3 Å²	30.3	1%	0.005	17%	0.165	C	C	.	.	H	α-helix	trans	-61.5	-41.2	177	178.2	58.3	0	0	0	112.2	K292 I294 L302 L304 S314 Y315 S322	K292-L318 HydrophobicContact CB-CD2 3.72Å; I294-L318 HydrophobicContact CD1-CD1 4.12Å; I294-L318 HydrophobicContact CD1-CG 3.8Å; I294-L318 HydrophobicContact CG1-CD1 3.95Å; I294-L318 HydrophobicContact CG1-CD2 4.18Å; I294-L318 HydrophobicContact CG1-CG 3.87Å; I294-L318 HydrophobicContact CG2-CD2 4.09Å; I294-L318 HydrophobicContact CG2-CG 4.47Å; L302-L318 HydrophobicContact CB-CD1 4.4Å; L302-L318 HydrophobicContact CD2-CD1 3.72Å; L302-L318 HydrophobicContact CG-CD1 3.69Å; L304-L318 HydrophobicContact CB-CB 4.22Å; L304-L318 HydrophobicContact CB-CD1 3.9Å; L304-L318 HydrophobicContact CB-CG 4.44Å; L304-L318 HydrophobicContact CD2-CB 4.01Å; S314-L318 PolarHBondContact O-N 2.63Å; Y315-L318 PolarHBondContact O-N 3.42Å; L318-S322 PolarHBondContact O-N 3.26Å; L318-S322 VanDerWaalsContact O-N 3.12Å
319	T	83.8	Confident	85.7	Confident	26 Å²	26	28 Å²	28	16%	0.16	15%	0.15	C	C	.	.	H	α-helix	trans	-66.9	-39.1	173.7	51.1	0	0	0	0	112.1	Y315 Q316 S317 S322 A323	Y315-T319 HydrophobicContact CD1-CG2 4.42Å; Y315-T319 HydrophobicContact CE1-CG2 3.91Å; Y315-T319 HydrophobicContact CE2-CG2 4.45Å; Y315-T319 PolarHBondContact O-N 2.64Å; Y315-T319 PolarHBondContact O-OG1 2.92Å; Q316-T319 WeakPolarHBondContact CA-OG1 3.46Å; Q316-T319 PolarHBondContact O-N 3.03Å; Q316-T319 PolarHBondContact O-OG1 2.86Å; S317-T319 PolarHBondContact O-N 2.83Å; T319-S322 WeakPolarHBondContact O-CB 3.43Å; T319-S322 PolarHBondContact O-N 2.75Å; T319-A323 PolarHBondContact O-N 3.05Å
320	T	81	Confident	86	Confident	10 Å²	10	28.1 Å²	28.1	6%	0.061	15%	0.146	C	C	.	.	H	α-helix	trans	-63.1	-45.6	176.5	-53.8	0	0	0	0	111.6	Q316 S317 S322 A323 V324 T384 L436	Q316-T320 WeakPolarHBondContact O-CB 3.4Å; Q316-T320 PolarHBondContact O-N 3.06Å; Q316-T320 PolarHBondContact O-OG1 3Å; S317-T320 PolarHBondContact O-N 3.48Å; T320-S322 VanDerWaalsContact C-N 3.27Å; T320-S322 PolarHBondContact O-N 3.11Å; T320-A323 PolarHBondContact O-N 3.49Å; T320-V324 VanDerWaalsContact O-CG2 3.28Å; T320-V324 WeakPolarHBondContact O-CG2 3.26Å; T320-V324 PolarHBondContact O-N 2.99Å; T320-T384 HydrophobicContact CG2-CG2 3.97Å; T320-L436 HydrophobicContact CG2-CD1 3.96Å
321	I	88.5	Confident	86.2	Confident	4 Å²	4	26.9 Å²	26.9	2%	0.021	14%	0.14	C	C	.	.	H	α-helix	trans	-58.5	-40.5	175.3	-64.3	157.7	0	0	0	110.6	L302 L304 S317 L325 V343 V387 L391	L302-I321 HydrophobicContact CD1-CG2 3.93Å; L302-I321 HydrophobicContact CD2-CB 4.05Å; L302-I321 HydrophobicContact CD2-CG2 3.69Å; L302-I321 HydrophobicContact CG-CG2 4.36Å; L304-I321 HydrophobicContact CD1-CD1 4.12Å; L304-I321 HydrophobicContact CD2-CD1 4.26Å; S317-I321 WeakPolarHBondContact O-CD1 3.36Å; S317-I321 WeakPolarHBondContact O-CG1 3.32Å; S317-I321 PolarHBondContact O-N 3.02Å; I321-L325 WeakPolarHBondContact O-CB 3.5Å; I321-L325 PolarHBondContact O-N 3.4Å; I321-V343 HydrophobicContact CD1-CB 4.43Å; I321-V343 HydrophobicContact CD1-CG1 4.13Å; I321-V343 HydrophobicContact CD1-CG2 4.38Å; I321-V343 HydrophobicContact CG2-CG2 4.04Å; I321-V387 HydrophobicContact CB-CG1 4.28Å; I321-V387 HydrophobicContact CG1-CG1 3.67Å; I321-V387 HydrophobicContact CG1-CG2 4.04Å; I321-V387 HydrophobicContact CG2-CG1 4.47Å; I321-L391 HydrophobicContact CG2-CD1 4.23Å; I321-L391 HydrophobicContact CG2-CD2 4.32Å
322	S	90.2	Very high	86.6	Confident	21 Å²	21	26.4 Å²	26.4	15%	0.147	14%	0.138	C	C	.	.	H	α-helix	trans	-65.1	-44.1	176.9	-172.8	0	0	0	0	112.9	L318 T319 T320 L325 N326	L318-S322 PolarHBondContact O-N 3.26Å; L318-S322 VanDerWaalsContact O-N 3.12Å; T319-S322 WeakPolarHBondContact O-CB 3.43Å; T319-S322 PolarHBondContact O-N 2.75Å; T320-S322 VanDerWaalsContact C-N 3.27Å; T320-S322 PolarHBondContact O-N 3.11Å; S322-L325 PolarHBondContact O-N 3Å; S322-N326 VanDerWaalsContact O-CB 3.24Å; S322-N326 WeakPolarHBondContact O-CB 3.48Å; S322-N326 PolarHBondContact O-N 3.5Å
323	A	85.3	Confident	87	Confident	2 Å²	2	21.6 Å²	21.6	2%	0.017	12%	0.124	C	C	.	.	H	α-helix	trans	-60.9	-45.9	177.6	0	0	0	0	0	111.2	T319 T320 N326 A327 I426 E430	T319-A323 PolarHBondContact O-N 3.05Å; T320-A323 PolarHBondContact O-N 3.49Å; A323-N326 PolarHBondContact O-N 2.84Å; A323-A327 VanDerWaalsContact O-CB 3.26Å; A323-A327 WeakPolarHBondContact O-CB 3.49Å; A323-A327 PolarHBondContact O-N 3.38Å; A323-I426 HydrophobicContact CB-CG2 3.9Å; A323-E430 WeakPolarHBondContact CB-OE2 3.37Å
324	V	86.9	Confident	87.8	Confident	1 Å²	1	21.6 Å²	21.6	1%	0.006	12%	0.115	C	C	.	.	H	α-helix	trans	-63.2	-43.3	176.4	-178.7	0	0	0	0	111.7	T320 A327 L328 L391 I422 I426	T320-V324 VanDerWaalsContact O-CG2 3.28Å; T320-V324 WeakPolarHBondContact O-CG2 3.26Å; T320-V324 PolarHBondContact O-N 2.99Å; V324-A327 PolarHBondContact O-N 2.89Å; V324-L328 HydrophobicContact CG1-CD1 4.13Å; V324-L328 WeakPolarHBondContact O-CG 3.45Å; V324-L328 PolarHBondContact O-N 2.68Å; V324-L391 HydrophobicContact CB-CD1 3.68Å; V324-L391 HydrophobicContact CG1-CD1 3.49Å; V324-L391 VanDerWaalsContact CG1-CD1 3.49Å; V324-I422 HydrophobicContact CG1-CD1 3.94Å; V324-I422 HydrophobicContact CG1-CG1 4.31Å; V324-I422 HydrophobicContact CG1-CG2 3.96Å; V324-I422 HydrophobicContact CG2-CG2 4.32Å; V324-I426 HydrophobicContact CB-CD1 4.18Å; V324-I426 HydrophobicContact CG2-CD1 3.55Å
325	L	91.1	Very high	88.2	Confident	3 Å²	3	23.8 Å²	23.8	2%	0.016	13%	0.126	C	C	.	.	H	α-helix	trans	-62.8	-48.4	177.5	177	66.3	0	0	0	111.5	K296 I321 S322 A327 L328 E329 V337 L341 L391 W395	K296-L325 HydrophobicContact CD-CD2 3.97Å; K296-L325 HydrophobicContact CG-CD2 4.15Å; I321-L325 WeakPolarHBondContact O-CB 3.5Å; I321-L325 PolarHBondContact O-N 3.4Å; S322-L325 PolarHBondContact O-N 3Å; L325-A327 VanDerWaalsContact C-N 3.34Å; L325-A327 PolarHBondContact O-N 2.88Å; L325-L328 PolarHBondContact O-N 2.79Å; L325-E329 HydrophobicContact CD1-CG 4.29Å; L325-E329 HydrophobicContact CG-CG 4.5Å; L325-E329 WeakPolarHBondContact O-CB 3.49Å; L325-E329 WeakPolarHBondContact O-CG 3.3Å; L325-E329 PolarHBondContact O-N 3.32Å; L325-V337 HydrophobicContact CD1-CG2 4.22Å; L325-V337 HydrophobicContact CD2-CG2 4.48Å; L325-L341 HydrophobicContact CD2-CD2 4.24Å; L325-L391 HydrophobicContact CB-CD1 4.34Å; L325-L391 HydrophobicContact CB-CD2 4.17Å; L325-L391 HydrophobicContact CD1-CD2 4.02Å; L325-W395 HydrophobicContact CD1-CH2 3.96Å
326	N	89.6	Confident	88.6	Confident	29 Å²	29	18.1 Å²	18.1	16%	0.155	11%	0.105	C	C	.	.	H	α-helix	trans	-60.1	-43.9	178.2	-172.9	27	0	0	0	111	S297 S322 A323 E329 N330 E430	S297-N326 WeakPolarHBondContact CB-OD1 3.12Å; S297-N326 PolarHBondContact OG-OD1 3.06Å; S322-N326 VanDerWaalsContact O-CB 3.24Å; S322-N326 WeakPolarHBondContact O-CB 3.48Å; S322-N326 PolarHBondContact O-N 3.5Å; A323-N326 PolarHBondContact O-N 2.84Å; N326-E329 PolarHBondContact O-N 3.07Å; N326-N330 WeakPolarHBondContact O-CB 3.37Å; N326-N330 PolarHBondContact O-N 2.67Å; N326-N330 PolarHBondContact O-ND2 3.25Å; N326-N330 PolarHBondContact OD1-ND2 3.46Å; N326-E430 PolarHBondContact ND2-OE1 3.09Å
327	A	87.9	Confident	89	Confident	12 Å²	12	15.5 Å²	15.5	10%	0.099	9%	0.093	C	C	.	.	H	α-helix	trans	-60.1	-45.8	175	0	0	0	0	0	112.7	A323 V324 L325 N330 Y331 L425 I426	A323-A327 VanDerWaalsContact O-CB 3.26Å; A323-A327 WeakPolarHBondContact O-CB 3.49Å; A323-A327 PolarHBondContact O-N 3.38Å; V324-A327 PolarHBondContact O-N 2.89Å; L325-A327 VanDerWaalsContact C-N 3.34Å; L325-A327 PolarHBondContact O-N 2.88Å; A327-N330 PolarHBondContact O-N 3.21Å; A327-Y331 WeakPolarHBondContact O-CB 3.37Å; A327-Y331 PolarHBondContact O-N 3.16Å; A327-L425 HydrophobicContact CB-CB 3.87Å; A327-I426 HydrophobicContact CB-CG1 3.62Å
328	L	91.7	Very high	88.8	Confident	0 Å²	0	18.6 Å²	18.6	0%	0	11%	0.109	C	C	.	.	H	α-helix	trans	-67.1	-42.6	176.6	-72.6	171.5	0	0	0	112.6	V324 L325 N330 Y331 I332 L391 A392 W395 L418 I422	V324-L328 HydrophobicContact CG1-CD1 4.13Å; V324-L328 WeakPolarHBondContact O-CG 3.45Å; V324-L328 PolarHBondContact O-N 2.68Å; L325-L328 PolarHBondContact O-N 2.79Å; L328-N330 VanDerWaalsContact C-N 3.3Å; L328-N330 PolarHBondContact O-N 3.28Å; L328-Y331 PolarHBondContact O-N 3.43Å; L328-I332 HydrophobicContact CB-CD1 4.49Å; L328-I332 WeakPolarHBondContact O-CB 3.26Å; L328-I332 WeakPolarHBondContact O-CG1 3.35Å; L328-I332 PolarHBondContact O-N 3.29Å; L328-L391 HydrophobicContact CD1-CB 3.76Å; L328-A392 HydrophobicContact CD1-CB 4.38Å; L328-W395 HydrophobicContact CB-CH2 3.45Å; L328-W395 VanDerWaalsContact CB-CH2 3.45Å; L328-W395 HydrophobicContact CB-CZ2 4.26Å; L328-W395 HydrophobicContact CB-CZ3 3.67Å; L328-W395 HydrophobicContact CD1-CH2 4.42Å; L328-W395 HydrophobicContact CD1-CZ3 3.86Å; L328-W395 HydrophobicContact CG-CZ3 4.38Å; L328-L418 HydrophobicContact CD2-CB 4.45Å; L328-L418 HydrophobicContact CD2-CD2 4.37Å; L328-I422 HydrophobicContact CD1-CD1 3.99Å; L328-I422 HydrophobicContact CD1-CG1 4.45Å; L328-I422 HydrophobicContact CD2-CD1 4.08Å; L328-I422 HydrophobicContact CD2-CG1 3.85Å; L328-I422 HydrophobicContact CG-CD1 4.27Å; L328-I422 HydrophobicContact CG-CG1 4.18Å
329	E	92.9	Very high	88.8	Confident	3 Å²	3	21.8 Å²	21.8	1%	0.014	14%	0.136	C	C	.	.	H	α-helix	trans	-58.3	-41.3	174.9	-76.3	177.3	-178.4	0	0	111.7	K296 L325 N326 G333 Y334 W395	K296-E329 WeakPolarHBondContact CE-OE1 3.42Å; K296-E329 IonicContact NZ-OE1 2.79Å; K296-E329 PolarHBondContact NZ-OE1 3.04Å; K296-E329 IonicContact NZ-OE2 3.78Å; L325-E329 HydrophobicContact CD1-CG 4.29Å; L325-E329 HydrophobicContact CG-CG 4.5Å; L325-E329 WeakPolarHBondContact O-CB 3.49Å; L325-E329 WeakPolarHBondContact O-CG 3.3Å; L325-E329 PolarHBondContact O-N 3.32Å; N326-E329 PolarHBondContact O-N 3.07Å; E329-G333 VanDerWaalsContact O-CA 3.24Å; E329-G333 WeakPolarHBondContact O-CA 3.45Å; E329-G333 PolarHBondContact O-N 3.22Å; E329-Y334 PolarHBondContact O-N 3.38Å; E329-W395 HydrophobicContact CB-CZ2 4.37Å; E329-W395 HydrophobicContact CG-CH2 3.98Å; E329-W395 HydrophobicContact CG-CZ2 3.65Å
330	N	91.3	Very high	89.1	Confident	67 Å²	67	23.8 Å²	23.8	36%	0.358	14%	0.142	S	C	.	.	H	α-helix	trans	-79.2	-25	178.6	-65.8	-38.7	0	0	0	113.5	R298 N326 A327 L328 K513	R298-N330 PolarHBondContact NH2-OD1 3.26Å; N326-N330 WeakPolarHBondContact O-CB 3.37Å; N326-N330 PolarHBondContact O-N 2.67Å; N326-N330 PolarHBondContact O-ND2 3.25Å; N326-N330 PolarHBondContact OD1-ND2 3.46Å; A327-N330 PolarHBondContact O-N 3.21Å; L328-N330 VanDerWaalsContact C-N 3.3Å; L328-N330 PolarHBondContact O-N 3.28Å; N330-K513 PolarHBondContact O-NZ 2.92Å
331	Y	92.4	Very high	89.7	Confident	6 Å²	6	23.3 Å²	23.3	2%	0.024	14%	0.139	C	C	.	.	H	α-helix	trans	-77.4	-54.6	172.8	-172.4	-103.6	0	0	0	112	A327 L328 G333 L418 I421 L425 D509 K513 L516	A327-Y331 WeakPolarHBondContact O-CB 3.37Å; A327-Y331 PolarHBondContact O-N 3.16Å; L328-Y331 PolarHBondContact O-N 3.43Å; Y331-G333 VanDerWaalsContact C-N 3.25Å; Y331-G333 PolarHBondContact O-N 2.88Å; Y331-L418 HydrophobicContact CD1-CD2 4.47Å; Y331-L418 HydrophobicContact CE1-CD2 4.45Å; Y331-I421 HydrophobicContact CD1-CD1 3.66Å; Y331-I421 HydrophobicContact CD2-CD1 4.45Å; Y331-I421 HydrophobicContact CE1-CD1 3.24Å; Y331-I421 HydrophobicContact CE2-CD1 4.11Å; Y331-I421 HydrophobicContact CG-CD1 4.24Å; Y331-I421 VanDerWaalsContact CZ-CD1 3.49Å; Y331-L425 HydrophobicContact CD1-CD1 4.32Å; Y331-L425 HydrophobicContact CD2-CD1 4.07Å; Y331-L425 HydrophobicContact CD2-CD2 3.41Å; Y331-L425 VanDerWaalsContact CD2-CD2 3.41Å; Y331-L425 HydrophobicContact CD2-CG 4.38Å; Y331-L425 HydrophobicContact CE2-CD2 4.07Å; Y331-L425 HydrophobicContact CG-CD1 3.75Å; Y331-L425 HydrophobicContact CG-CD2 3.95Å; Y331-D509 WeakPolarHBondContact CE2-OD1 3.41Å; Y331-D509 PolarHBondContact OH-OD1 2.93Å; Y331-K513 HydrophobicContact CD2-CD 3.98Å; Y331-K513 HydrophobicContact CE2-CB 4.15Å; Y331-K513 HydrophobicContact CE2-CD 3.99Å; Y331-K513 HydrophobicContact CE2-CG 4.42Å; Y331-K513 WeakPolarHBondContact O-CD 3.24Å; Y331-K513 WeakPolarHBondContact O-CE 3.46Å; Y331-K513 WeakPolarHBondContact O-CG 3.28Å; Y331-K513 PolarHBondContact O-NZ 3.22Å; Y331-L516 HydrophobicContact CD1-CD1 4.26Å; Y331-L516 HydrophobicContact CE1-CD1 3.83Å
332	I	94.4	Very high	89.9	Confident	0 Å²	0	23.7 Å²	23.7	0%	0	14%	0.141	C	C	.	.	H	α-helix	trans	-70.9	-25.6	179.7	-60.7	164.8	0	0	0	110.6	L328 W395 F396 L418 L516 S517 V520	L328-I332 HydrophobicContact CB-CD1 4.49Å; L328-I332 WeakPolarHBondContact O-CB 3.26Å; L328-I332 WeakPolarHBondContact O-CG1 3.35Å; L328-I332 PolarHBondContact O-N 3.29Å; I332-W395 HydrophobicContact CD1-CB 4.26Å; I332-W395 HydrophobicContact CD1-CD2 3.44Å; I332-W395 VanDerWaalsContact CD1-CD2 3.44Å; I332-W395 HydrophobicContact CD1-CE3 3.81Å; I332-W395 HydrophobicContact CD1-CG 3.67Å; I332-W395 HydrophobicContact CD1-CZ2 4.22Å; I332-W395 HydrophobicContact CD1-CZ3 4.34Å; I332-W395 HydrophobicContact CG2-CG 4.36Å; I332-F396 HydrophobicContact CD1-CE2 3.78Å; I332-F396 HydrophobicContact CD1-CZ 4.23Å; I332-F396 HydrophobicContact CG1-CE2 4.46Å; I332-F396 HydrophobicContact CG1-CZ 4.49Å; I332-L418 HydrophobicContact CD1-CD1 4.44Å; I332-L516 HydrophobicContact CG1-CD1 4.38Å; I332-S517 VanDerWaalsContact O-CA 3.31Å; I332-S517 WeakPolarHBondContact O-CA 3.4Å; I332-S517 WeakPolarHBondContact O-CB 3.48Å; I332-S517 PolarHBondContact O-OG 3.24Å; I332-V520 HydrophobicContact CG2-CB 4.35Å; I332-V520 HydrophobicContact CG2-CG2 3.91Å
333	G	92.7	Very high	90	Very high	34 Å²	34	22.8 Å²	22.8	35%	0.351	14%	0.135	S	C	.	.	T	Hydrogen-bonded Turn	trans	69.1	35	178.3	0	0	0	0	0	112.6	E329 Y331 K521	E329-G333 VanDerWaalsContact O-CA 3.24Å; E329-G333 WeakPolarHBondContact O-CA 3.45Å; E329-G333 PolarHBondContact O-N 3.22Å; Y331-G333 VanDerWaalsContact C-N 3.25Å; Y331-G333 PolarHBondContact O-N 2.88Å; G333-K521 WeakPolarHBondContact O-CE 3.25Å; G333-K521 PolarHBondContact O-NZ 2.97Å
334	Y	92.3	Very high	90.3	Very high	47 Å²	47	22.9 Å²	22.9	18%	0.184	14%	0.135	C	C	.	.			trans	-147.1	124.6	177	-170.9	-74.9	0	0	0	108.6	E329 W395 L399 V520 K521 A524	E329-Y334 PolarHBondContact O-N 3.38Å; Y334-W395 PolarHBondContact O-NE1 3.26Å; Y334-L399 HydrophobicContact CD1-CD2 3.65Å; Y334-L399 HydrophobicContact CE1-CD1 4.42Å; Y334-L399 HydrophobicContact CE1-CD2 3.24Å; Y334-L399 HydrophobicContact CE1-CG 4.46Å; Y334-L399 HydrophobicContact CE2-CD2 4.47Å; Y334-L399 HydrophobicContact CG-CD2 4.44Å; Y334-V520 HydrophobicContact CD1-CG1 3.92Å; Y334-V520 HydrophobicContact CD2-CG1 3.59Å; Y334-V520 HydrophobicContact CE1-CG1 4.45Å; Y334-V520 HydrophobicContact CE2-CG1 4.12Å; Y334-V520 HydrophobicContact CG-CG1 3.48Å; Y334-V520 VanDerWaalsContact CG-CG1 3.48Å; Y334-K521 HydrophobicContact CD2-CG 3.91Å; Y334-K521 HydrophobicContact CE2-CG 4.5Å; Y334-A524 HydrophobicContact CE2-CB 4.29Å
335	D	90.6	Very high	90.5	Very high	47 Å²	47	22.9 Å²	22.9	25%	0.251	14%	0.135	S	C	.	.			trans	-81.1	116	174.3	-172.3	-31.6	0	0	0	109.4	K296 R298 V337	K296-D335 IonicContact NZ-OD1 3.28Å; K296-D335 PolarHBondContact NZ-OD1 2.8Å; K296-D335 IonicContact NZ-OD2 3.84Å; K296-D335 PolarHBondContact NZ-OD2 3.02Å; K296-D335 VanDerWaalsContact NZ-OD2 3.11Å; R298-D335 WeakPolarHBondContact CB-OD2 3.43Å; D335-V337 PolarHBondContact OD1-N 3.49Å; D335-V337 VanDerWaalsContact OD1-N 3.1Å
336	V	89.3	Confident	90.3	Very high	10 Å²	10	22.7 Å²	22.7	6%	0.061	13%	0.134	C	C	.	.			trans	-96.2	-12.3	-173.6	71.7	0	0	0	0	113.9	Q394 W395 L399	V336-Q394 HydrophobicContact CG1-CB 4Å; V336-Q394 HydrophobicContact CG2-CB 4Å; V336-Q394 WeakPolarHBondContact CG2-O 3.24Å; V336-W395 HydrophobicContact CB-CD2 4.15Å; V336-W395 HydrophobicContact CB-CG 4.44Å; V336-W395 HydrophobicContact CB-CZ2 4.01Å; V336-W395 HydrophobicContact CG1-CD2 3.94Å; V336-W395 HydrophobicContact CG1-CE3 4.14Å; V336-W395 HydrophobicContact CG1-CH2 3.71Å; V336-W395 HydrophobicContact CG1-CZ2 3.47Å; V336-W395 VanDerWaalsContact CG1-CZ2 3.47Å; V336-W395 HydrophobicContact CG1-CZ3 4.02Å; V336-W395 HydrophobicContact CG2-CD2 4.46Å; V336-W395 HydrophobicContact CG2-CG 4.43Å; V336-L399 HydrophobicContact CG2-CB 4.13Å; V336-L399 HydrophobicContact CG2-CD2 3.99Å
337	V	86.5	Confident	90	Very high	0 Å²	0	21.3 Å²	21.3	0%	0	13%	0.127	C	C	.	.			trans	-118	93.2	-173.6	-178.4	0	0	0	0	109.8	K296 L325 D335 K340 L341	K296-V337 HydrophobicContact CD-CB 3.98Å; K296-V337 HydrophobicContact CD-CG1 4.02Å; K296-V337 PolarHBondContact NZ-O 3.35Å; L325-V337 HydrophobicContact CD1-CG2 4.22Å; L325-V337 HydrophobicContact CD2-CG2 4.48Å; D335-V337 PolarHBondContact OD1-N 3.49Å; D335-V337 VanDerWaalsContact OD1-N 3.1Å; V337-K340 WeakPolarHBondContact CG1-O 3.26Å; V337-L341 HydrophobicContact CB-CB 4.4Å; V337-L341 HydrophobicContact CG1-CB 3.55Å; V337-L341 HydrophobicContact CG2-CB 3.92Å; V337-L341 HydrophobicContact CG2-CD2 4.13Å
338	D	79.2	Confident	89.7	Confident	68 Å²	68	20.8 Å²	20.8	36%	0.364	12%	0.122	S	C	.	.	S	Bend	trans	-63.9	-50.7	-174.8	-65.5	-73.5	0	0	0	114.2	K275 S299	K275-D338 WeakPolarHBondContact CD-OD2 3.46Å; K275-D338 WeakPolarHBondContact CE-OD1 3.4Å; K275-D338 WeakPolarHBondContact CE-OD2 3.37Å; K275-D338 IonicContact NZ-OD1 2.68Å; K275-D338 PolarHBondContact NZ-OD1 3.08Å; K275-D338 IonicContact NZ-OD2 3.93Å; K275-D338 PolarHBondContact NZ-OD2 3.41Å; S299-D338 PolarHBondContact OG-O 2.97Å
339	A	86.5	Confident	88.9	Confident	68 Å²	68	21.5 Å²	21.5	56%	0.562	13%	0.125	S	C	*	.	S	Bend	trans	-124.6	-48.4	-165.1	0	0	0	0	0	112.9	G300 K301	G300-A339 CarbonylContact C-O 3.58Å; G300-A339 WeakPolarHBondContact CA-O 3.29Å; K301-A339 PolarHBondContact N-O 3.07Å
340	K	91.3	Very high	87.7	Confident	67 Å²	67	21.5 Å²	21.5	29%	0.291	13%	0.125	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-153.9	152.9	171.3	57.8	158.5	-172.5	159.6	0	111.6	K301 V337 D342 N359	K301-K340 HydrophobicContact CB-CB 4.36Å; K301-K340 CarbonylContact O-C 3.06Å; K301-K340 WeakPolarHBondContact O-CA 3.33Å; V337-K340 WeakPolarHBondContact CG1-O 3.26Å; K340-D342 WeakPolarHBondContact CD-OD2 3.4Å; K340-D342 WeakPolarHBondContact CE-OD2 3.36Å; K340-D342 IonicContact NZ-OD2 2.91Å; K340-D342 PolarHBondContact NZ-OD2 3.2Å; K340-N359 WeakPolarHBondContact O-CB 3.49Å; K340-N359 PolarHBondContact O-OD1 2.7Å
341	L	92.8	Very high	86.1	Confident	0 Å²	0	19.7 Å²	19.7	0%	0	12%	0.119	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.4	122.7	161.6	168.3	61.2	0	0	0	107.6	K301 L302 R303 L325 V337 V343 I361 L391	K301-L341 PolarHBondContact O-N 2.69Å; L302-L341 HydrophobicContact CD1-CB 4.04Å; L302-L341 HydrophobicContact CD1-CD2 3.79Å; L302-L341 HydrophobicContact CD1-CG 3.86Å; R303-L341 PolarHBondContact N-O 3.4Å; L325-L341 HydrophobicContact CD2-CD2 4.24Å; V337-L341 HydrophobicContact CB-CB 4.4Å; V337-L341 HydrophobicContact CG1-CB 3.55Å; V337-L341 HydrophobicContact CG2-CB 3.92Å; V337-L341 HydrophobicContact CG2-CD2 4.13Å; L341-V343 HydrophobicContact CG-CG2 4.41Å; L341-I361 HydrophobicContact CD1-CD1 3.94Å; L341-I361 HydrophobicContact CD1-CG1 4.03Å; L341-I361 HydrophobicContact CD2-CD1 4.14Å; L341-L391 HydrophobicContact CD2-CD2 3.61Å
342	D	92.7	Very high	84.5	Confident	12 Å²	12	21.2 Å²	21.2	6%	0.064	13%	0.129	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.1	123.2	171.3	-64.1	-55.8	0	0	0	109.5	R303 W305 K340 N359 L360 I361	R303-D342 WeakPolarHBondContact CB-OD1 3.42Å; R303-D342 WeakPolarHBondContact CD-OD1 3.48Å; W305-D342 PolarHBondContact NE1-OD1 2.63Å; K340-D342 WeakPolarHBondContact CD-OD2 3.4Å; K340-D342 WeakPolarHBondContact CE-OD2 3.36Å; K340-D342 IonicContact NZ-OD2 2.91Å; K340-D342 PolarHBondContact NZ-OD2 3.2Å; D342-N359 PolarHBondContact N-O 2.85Å; D342-L360 HydrophobicContact CB-CD1 4Å; D342-L360 CarbonylContact O-C 3.58Å; D342-L360 WeakPolarHBondContact O-CA 3.48Å; D342-I361 PolarHBondContact O-N 3.29Å
343	V	93.3	Very high	82.8	Confident	2 Å²	2	22.9 Å²	22.9	1%	0.012	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.2	128.9	165.7	-178.6	0	0	0	0	107.8	L302 R303 L304 W305 I321 L341 I361 L363 I368	L302-V343 HydrophobicContact CD1-CG2 4.29Å; R303-V343 PolarHBondContact O-N 3.17Å; L304-V343 CarbonylContact C-O 3.58Å; L304-V343 WeakPolarHBondContact CA-O 3.42Å; L304-V343 HydrophobicContact CD1-CB 3.88Å; L304-V343 HydrophobicContact CD1-CG1 3.71Å; W305-V343 PolarHBondContact N-O 3.23Å; I321-V343 HydrophobicContact CD1-CB 4.43Å; I321-V343 HydrophobicContact CD1-CG1 4.13Å; I321-V343 HydrophobicContact CD1-CG2 4.38Å; I321-V343 HydrophobicContact CG2-CG2 4.04Å; L341-V343 HydrophobicContact CG-CG2 4.41Å; V343-I361 HydrophobicContact CG1-CB 4.45Å; V343-I361 HydrophobicContact CG1-CG2 4.03Å; V343-I361 HydrophobicContact CG2-CB 4.17Å; V343-I361 HydrophobicContact CG2-CD1 4.3Å; V343-I361 HydrophobicContact CG2-CG2 4.42Å; V343-L363 HydrophobicContact CG1-CD1 4.38Å; V343-I368 HydrophobicContact CG1-CD1 4.05Å
344	V	91.8	Very high	81.2	Confident	5 Å²	5	21.8 Å²	21.8	3%	0.03	13%	0.126	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.3	120.1	-178.7	-170.4	0	0	0	0	109.9	V285 L289 W305 L346 L360 I361 V362 L363	V285-V344 HydrophobicContact CG1-CG1 4.3Å; V285-V344 HydrophobicContact CG2-CG2 4.46Å; L289-V344 HydrophobicContact CD1-CG1 3.86Å; W305-V344 HydrophobicContact CB-CB 4.41Å; W305-V344 HydrophobicContact CB-CG1 4.2Å; W305-V344 HydrophobicContact CB-CG2 4.11Å; W305-V344 HydrophobicContact CG-CG2 4.33Å; V344-L346 HydrophobicContact CG1-CD2 3.88Å; V344-L346 HydrophobicContact CG1-CG 4.12Å; V344-L360 HydrophobicContact CG2-CD1 3.65Å; V344-I361 PolarHBondContact N-O 3.4Å; V344-V362 WeakPolarHBondContact O-CA 3.5Å; V344-L363 PolarHBondContact O-N 2.92Å
345	G	90	Very high	79.6	Confident	0 Å²	0	19.6 Å²	19.6	0%	0	12%	0.117	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.1	132.3	168.2	0	0	0	0	0	110.8	W305 I368	W305-G345 PolarHBondContact O-N 3.14Å; G345-I368 VanDerWaalsContact CA-CD1 3.42Å
346	L	87.3	Confident	78.7	Confident	0 Å²	0	17.9 Å²	17.9	0%	0	11%	0.108	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.8	145.6	179.8	-63.1	175.5	0	0	0	111	I229 F240 V285 V344 M348 V362 L363 E365	I229-L346 HydrophobicContact CD1-CB 4.13Å; I229-L346 HydrophobicContact CD1-CD1 3.76Å; I229-L346 HydrophobicContact CD1-CD2 4.49Å; I229-L346 HydrophobicContact CD1-CG 4.35Å; F240-L346 HydrophobicContact CD1-CD2 4.16Å; F240-L346 HydrophobicContact CD2-CD2 4.25Å; F240-L346 HydrophobicContact CE1-CD2 4.39Å; F240-L346 HydrophobicContact CE2-CD2 4.44Å; F240-L346 HydrophobicContact CG-CD2 4.11Å; V285-L346 HydrophobicContact CG1-CD2 4.34Å; V344-L346 HydrophobicContact CG1-CD2 3.88Å; V344-L346 HydrophobicContact CG1-CG 4.12Å; L346-M348 HydrophobicContact CB-CE 3.98Å; L346-M348 HydrophobicContact CB-CG 3.95Å; L346-M348 HydrophobicContact CB-SD 4.42Å; L346-M348 HydrophobicContact CD1-CE 3.86Å; L346-M348 WeakPolarHBondContact O-CG 3.04Å; L346-M348 PolarHBondContact O-N 3.07Å; L346-V362 HydrophobicContact CD1-CG1 3.47Å; L346-V362 VanDerWaalsContact CD1-CG1 3.47Å; L346-V362 HydrophobicContact CG-CG1 4.17Å; L346-L363 PolarHBondContact N-O 2.88Å; L346-E365 PolarHBondContact O-N 3.37Å
347	P	84.1	Confident	78.4	Confident	0 Å²	0	17.5 Å²	17.5	0%	0	11%	0.106	C	C	.	.	S	Bend	trans	-75.4	45.5	-173.7	31.4	-38.1	0	0	0	114.3	Y231 F240 E365 K840	Y231-P347 HydrophobicContact CD1-CG 4.2Å; Y231-P347 HydrophobicContact CG-CG 4.03Å; F240-P347 HydrophobicContact CD2-CG 4.1Å; F240-P347 HydrophobicContact CE2-CG 3.76Å; P347-E365 WeakPolarHBondContact CB-OE2 3.31Å; P347-K840 WeakPolarHBondContact O-CE 3.48Å; P347-K840 PolarHBondContact O-NZ 3.42Å
348	M	79.8	Confident	78.3	Confident	1 Å²	1	19.9 Å²	19.9	1%	0.005	12%	0.12	C	C	.	.			trans	-114.5	142.5	-175.8	52.6	161.8	71.7	0	0	111.9	P222 Y227 I229 L346 V350 R354 S364 I807 T842	P222-M348 HydrophobicContact CB-CE 4.37Å; P222-M348 HydrophobicContact CG-CE 3.74Å; P222-M348 HydrophobicContact CG-SD 4.42Å; Y227-M348 HydrophobicContact CE2-CE 3.71Å; I229-M348 HydrophobicContact CD1-CE 3.42Å; I229-M348 VanDerWaalsContact CD1-CE 3.42Å; I229-M348 HydrophobicContact CG1-CE 3.77Å; L346-M348 HydrophobicContact CB-CE 3.98Å; L346-M348 HydrophobicContact CB-CG 3.95Å; L346-M348 HydrophobicContact CB-SD 4.42Å; L346-M348 HydrophobicContact CD1-CE 3.86Å; L346-M348 WeakPolarHBondContact O-CG 3.04Å; L346-M348 PolarHBondContact O-N 3.07Å; M348-V350 HydrophobicContact CG-CG1 3.83Å; M348-V350 HydrophobicContact SD-CG1 3.48Å; M348-V350 WeakPolarHBondContact SD-CG1 3.41Å; M348-R354 PolarHBondContact SD-NH1 3.28Å; M348-S364 WeakPolarHBondContact O-CB 3.45Å; M348-S364 PolarHBondContact O-OG 3.42Å; M348-I807 VanDerWaalsContact O-CD1 3.31Å; M348-I807 WeakPolarHBondContact O-CD1 3.45Å; M348-T842 HydrophobicContact CB-CG2 4.15Å
349	Y	74.7	Confident	78.8	Confident	15 Å²	15	18.6 Å²	18.6	6%	0.059	11%	0.113	C	C	.	.			trans	-75	137.4	164.1	-177.6	-92.6	0	0	0	108.8	R354 M366 E811 T842 F843 L846	Y349-R354 PolarHBondContact O-NH1 3.37Å; Y349-R354 PolarHBondContact O-NH2 2.87Å; Y349-M366 HydrophobicContact CD2-CE 3.85Å; Y349-M366 HydrophobicContact CD2-SD 3.66Å; Y349-M366 HydrophobicContact CE2-CE 4.08Å; Y349-M366 HydrophobicContact CE2-SD 4.34Å; Y349-M366 HydrophobicContact CG-SD 4.47Å; Y349-E811 HydrophobicContact CD2-CG 4.39Å; Y349-E811 HydrophobicContact CE2-CG 4.08Å; Y349-T842 WeakPolarHBondContact CD1-O 3.36Å; Y349-T842 PolarHBondContact N-OG1 3.35Å; Y349-T842 VanDerWaalsContact N-OG1 3.16Å; Y349-T842 WeakPolarHBondContact O-CB 3.5Å; Y349-F843 AromaticContact CD2-CD1 3.96Å; Y349-F843 HydrophobicContact CD2-CD1 3.96Å; Y349-F843 AromaticContact CD2-CE1 3.96Å; Y349-F843 HydrophobicContact CD2-CE1 3.96Å; Y349-F843 AromaticContact CG-CD1 3.86Å; Y349-F843 HydrophobicContact CG-CD1 3.86Å; Y349-F843 HydrophobicContact CG-CE1 4.17Å; Y349-L846 HydrophobicContact CD1-CB 4.47Å; Y349-L846 HydrophobicContact CE1-CB 4Å; Y349-L846 HydrophobicContact CE2-CB 4.29Å; Y349-L846 HydrophobicContact CE2-CD1 4.28Å; Y349-L846 HydrophobicContact CE2-CD2 4.31Å
350	V	67.9	Low	79	Confident	2 Å²	2	16.5 Å²	16.5	1%	0.012	9%	0.093	C	C	.	.			trans	-132.2	130.6	175.5	-39.4	0	0	0	0	109.4	M348 T352 R354 K382	M348-V350 HydrophobicContact CG-CG1 3.83Å; M348-V350 HydrophobicContact SD-CG1 3.48Å; M348-V350 WeakPolarHBondContact SD-CG1 3.41Å; V350-T352 WeakPolarHBondContact CB-O 3.43Å; V350-T352 WeakPolarHBondContact CG2-O 3.45Å; V350-R354 HydrophobicContact CB-CG 4.35Å; V350-R354 HydrophobicContact CG1-CG 4.24Å; V350-K382 PolarHBondContact O-NZ 3.25Å
351	A	59	Low	79	Confident	29 Å²	29	13.4 Å²	13.4	24%	0.24	8%	0.079	C	C	.	.	S	Bend	trans	-73.5	-37.2	170.2	0	0	0	0	0	110.5	Y884	A351-Y884 HydrophobicContact CB-CD2 3.81Å; A351-Y884 HydrophobicContact CB-CE2 3.58Å
352	T	59	Low	78.8	Confident	38 Å²	38	13.5 Å²	13.5	23%	0.233	8%	0.08	C	C	.	.	S	Bend	trans	-135.2	151.3	180	53.6	0	0	0	0	111	V350 R354 Y884	V350-T352 WeakPolarHBondContact CB-O 3.43Å; V350-T352 WeakPolarHBondContact CG2-O 3.45Å; T352-R354 PolarHBondContact O-N 3.1Å; T352-Y884 HydrophobicContact CG2-CE2 4.43Å
353	P	57.3	Low	78.5	Confident	35 Å²	35	13 Å²	13	23%	0.227	8%	0.077	C	C	.	.			trans	-52.8	131.1	171.2	-27.2	36.2	0	0	0	111.7	L363 N386	P353-L363 HydrophobicContact CB-CD2 4.01Å; P353-L363 HydrophobicContact CG-CD2 4.46Å; P353-N386 HydrophobicContact CG-CB 4Å; P353-N386 VanDerWaalsContact CG-OD1 3.3Å; P353-N386 WeakPolarHBondContact CG-OD1 3.45Å
354	R	59.9	Low	78.2	Confident	11 Å²	11	13 Å²	13	4%	0.042	8%	0.077	C	C	.	.			trans	-95.1	-32.6	-163.5	-73.4	-164.5	171.9	132.2	3.2	115.9	H221 Q244 M348 Y349 V350 T352 E881	H221-R354 PolarHBondContact CE1-NH2 2.86Å; H221-R354 PolarHBondContact NE2-NH2 2.95Å; Q244-R354 HydrophobicContact CG-CB 4.45Å; Q244-R354 WeakPolarHBondContact CG-O 3.09Å; Q244-R354 PolarHBondContact NE2-O 3.49Å; M348-R354 PolarHBondContact SD-NH1 3.28Å; Y349-R354 PolarHBondContact O-NH1 3.37Å; Y349-R354 PolarHBondContact O-NH2 2.87Å; V350-R354 HydrophobicContact CB-CG 4.35Å; V350-R354 HydrophobicContact CG1-CG 4.24Å; T352-R354 PolarHBondContact O-N 3.1Å; R354-E881 IonicContact CZ-OE1 3.73Å; R354-E881 IonicContact NE-OE1 3.55Å; R354-E881 PolarHBondContact NE-OE1 2.85Å; R354-E881 IonicContact NH2-OE1 3.91Å; R354-E881 PolarHBondContact NH2-OE1 2.81Å
355	S	59.4	Low	78	Confident	2 Å²	2	12.7 Å²	12.7	1%	0.014	8%	0.076	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-152.3	124.5	-173.6	156.9	0	0	0	0	110.8	V245 V362	V245-S355 WeakPolarHBondContact CG2-OG 3.24Å; S355-V362 PolarHBondContact O-N 3.36Å
356	Q	70.4	Confident	77.7	Confident	10 Å²	10	13.2 Å²	13.2	5%	0.047	8%	0.078	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.5	67.5	172.2	-48.2	-50.3	-21.6	0	0	108.4	A390 Q393 N398	Q356-A390 VanDerWaalsContact CD-CA 3.46Å; Q356-A390 VanDerWaalsContact CD-CB 3.48Å; Q356-Q393 HydrophobicContact CB-CB 3.92Å; Q356-Q393 HydrophobicContact CG-CB 3.99Å; Q356-Q393 HydrophobicContact CG-CG 4.25Å; Q356-N398 VanDerWaalsContact O-CG 3.29Å; Q356-N398 PolarHBondContact O-ND2 2.93Å; Q356-N398 PolarHBondContact O-OD1 2.86Å
357	A	82.7	Confident	77.5	Confident	2 Å²	2	13.2 Å²	13.2	2%	0.017	8%	0.078	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-66.9	155.9	171.2	0	0	0	0	0	110.5	V245 L281 A283 N359 L360 Q394 N398	V245-A357 HydrophobicContact CG2-CB 3.88Å; L281-A357 WeakPolarHBondContact O-CB 3.11Å; A283-A357 HydrophobicContact CB-CB 3.55Å; A357-N359 PolarHBondContact O-N 3.07Å; A357-N359 VanDerWaalsContact O-N 3.14Å; A357-L360 WeakPolarHBondContact CA-O 3.21Å; A357-L360 HydrophobicContact CB-CB 4Å; A357-L360 WeakPolarHBondContact CB-O 3.49Å; A357-L360 PolarHBondContact N-O 3.17Å; A357-L360 CarbonylContact O-C 2.91Å; A357-L360 PolarHBondContact O-N 3.45Å; A357-L360 VanDerWaalsContact O-O 3.1Å; A357-Q394 PolarHBondContact O-NE2 2.88Å; A357-Q394 PolarHBondContact O-OE1 3.23Å; A357-N398 PolarHBondContact O-ND2 3.46Å
358	T	85.9	Confident	77.5	Confident	50 Å²	50	13.3 Å²	13.3	31%	0.307	8%	0.078	S	C	.	.	T	Hydrogen-bonded Turn	trans	-59.6	119.3	175.2	-58.8	0	0	0	0	109.7	L277 L360 N398	L277-T358 VanDerWaalsContact CD1-CB 3.49Å; L277-T358 HydrophobicContact CD1-CG2 4.21Å; L277-T358 WeakPolarHBondContact CD1-OG1 3.35Å; T358-L360 PolarHBondContact O-N 3.4Å; T358-N398 PolarHBondContact N-ND2 3.47Å; T358-N398 WeakPolarHBondContact OG1-CB 3.31Å
359	N	89	Confident	77.4	Confident	41 Å²	41	13.4 Å²	13.4	22%	0.219	8%	0.079	C	C	.	.	T	Hydrogen-bonded Turn	trans	61.7	12	-175	-62	-49.7	0	0	0	116	K340 D342 A357	K340-N359 WeakPolarHBondContact O-CB 3.49Å; K340-N359 PolarHBondContact O-OD1 2.7Å; D342-N359 PolarHBondContact N-O 2.85Å; A357-N359 PolarHBondContact O-N 3.07Å; A357-N359 VanDerWaalsContact O-N 3.14Å
360	L	90.7	Very high	77.1	Confident	24 Å²	24	13.1 Å²	13.1	13%	0.126	8%	0.078	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.2	102.6	175.6	174.7	58.7	0	0	0	111.5	A283 D342 V344 A357 T358 V362	A283-L360 HydrophobicContact CB-CD2 4.06Å; D342-L360 HydrophobicContact CB-CD1 4Å; D342-L360 CarbonylContact O-C 3.58Å; D342-L360 WeakPolarHBondContact O-CA 3.48Å; V344-L360 HydrophobicContact CG2-CD1 3.65Å; A357-L360 WeakPolarHBondContact CA-O 3.21Å; A357-L360 HydrophobicContact CB-CB 4Å; A357-L360 WeakPolarHBondContact CB-O 3.49Å; A357-L360 PolarHBondContact N-O 3.17Å; A357-L360 CarbonylContact O-C 2.91Å; A357-L360 PolarHBondContact O-N 3.45Å; A357-L360 VanDerWaalsContact O-O 3.1Å; T358-L360 PolarHBondContact O-N 3.4Å; L360-V362 HydrophobicContact CD1-CG2 4.47Å; L360-V362 HydrophobicContact CG-CG2 4.43Å
361	I	91.3	Very high	76.5	Confident	2 Å²	2	14 Å²	14	1%	0.01	9%	0.088	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.8	133.5	177.9	-70.1	173.6	0	0	0	109.1	L341 D342 V343 V344 L363 A390 L391	L341-I361 HydrophobicContact CD1-CD1 3.94Å; L341-I361 HydrophobicContact CD1-CG1 4.03Å; L341-I361 HydrophobicContact CD2-CD1 4.14Å; D342-I361 PolarHBondContact O-N 3.29Å; V343-I361 HydrophobicContact CG1-CB 4.45Å; V343-I361 HydrophobicContact CG1-CG2 4.03Å; V343-I361 HydrophobicContact CG2-CB 4.17Å; V343-I361 HydrophobicContact CG2-CD1 4.3Å; V343-I361 HydrophobicContact CG2-CG2 4.42Å; V344-I361 PolarHBondContact N-O 3.4Å; I361-L363 HydrophobicContact CG2-CD1 3.98Å; I361-L363 HydrophobicContact CG2-CG 3.83Å; I361-A390 HydrophobicContact CD1-CB 4.03Å; I361-A390 HydrophobicContact CG1-CB 4.33Å; I361-A390 HydrophobicContact CG2-CB 3.71Å; I361-L391 HydrophobicContact CD1-CD2 3.79Å; I361-L391 HydrophobicContact CD1-CG 4.22Å
362	V	87.8	Confident	76	Confident	2 Å²	2	21 Å²	21	1%	0.012	12%	0.115	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.9	119.4	175.7	-171.7	0	0	0	0	110.9	V285 V344 L346 S355 L360	V285-V362 HydrophobicContact CG2-CG2 4.02Å; V344-V362 WeakPolarHBondContact O-CA 3.5Å; L346-V362 HydrophobicContact CD1-CG1 3.47Å; L346-V362 VanDerWaalsContact CD1-CG1 3.47Å; L346-V362 HydrophobicContact CG-CG1 4.17Å; S355-V362 PolarHBondContact O-N 3.36Å; L360-V362 HydrophobicContact CD1-CG2 4.47Å; L360-V362 HydrophobicContact CG-CG2 4.43Å
363	L	87.6	Confident	75.7	Confident	2 Å²	2	26.7 Å²	26.7	1%	0.01	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128	173.2	-175.7	-67.2	175.2	0	0	0	111.1	V343 V344 L346 P353 I361 D367 I368 N386 V387 A390	V343-L363 HydrophobicContact CG1-CD1 4.38Å; V344-L363 PolarHBondContact O-N 2.92Å; L346-L363 PolarHBondContact N-O 2.88Å; P353-L363 HydrophobicContact CB-CD2 4.01Å; P353-L363 HydrophobicContact CG-CD2 4.46Å; I361-L363 HydrophobicContact CG2-CD1 3.98Å; I361-L363 HydrophobicContact CG2-CG 3.83Å; L363-D367 HydrophobicContact CB-CB 4.13Å; L363-D367 HydrophobicContact CD1-CB 4.4Å; L363-I368 HydrophobicContact CB-CD1 3.84Å; L363-I368 HydrophobicContact CB-CG1 4.49Å; L363-I368 HydrophobicContact CD1-CD1 4.28Å; L363-I368 HydrophobicContact CD1-CG1 4.41Å; L363-N386 HydrophobicContact CD2-CB 4.35Å; L363-V387 HydrophobicContact CD1-CG2 3.74Å; L363-A390 HydrophobicContact CD2-CB 4.39Å
364	S	86.9	Confident	75.5	Confident	1 Å²	1	26 Å²	26	1%	0.007	13%	0.132	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.5	151.3	167.8	-172	0	0	0	0	111.1	M348 M366 D367	M348-S364 WeakPolarHBondContact O-CB 3.45Å; M348-S364 PolarHBondContact O-OG 3.42Å; S364-M366 PolarHBondContact O-N 3.26Å; S364-M366 WeakPolarHBondContact OG-CB 3.43Å; S364-M366 VanDerWaalsContact OG-CG 3.25Å; S364-M366 WeakPolarHBondContact OG-CG 3.19Å; S364-M366 PolarHBondContact OG-N 3.23Å; S364-D367 WeakPolarHBondContact CA-OD2 3.5Å; S364-D367 WeakPolarHBondContact CB-OD2 3.3Å; S364-D367 PolarHBondContact N-OD2 3.06Å; S364-D367 PolarHBondContact O-N 2.87Å
365	E	87.6	Confident	75.5	Confident	0 Å²	0	26.3 Å²	26.3	0%	0	14%	0.136	C	C	.	.	G	3₁₀ helix	trans	-53	-27.2	158.1	-87.8	-178.9	-167.4	0	0	112.4	L306 R307 L346 P347 D367 I368 I369 I807	L306-E365 HydrophobicContact CD2-CG 3.95Å; R307-E365 WeakPolarHBondContact CG-OE1 3.46Å; R307-E365 IonicContact CZ-OE1 3.32Å; R307-E365 IonicContact CZ-OE2 3.01Å; R307-E365 IonicContact NE-OE1 2.71Å; R307-E365 PolarHBondContact NE-OE1 3.03Å; R307-E365 IonicContact NE-OE2 2.74Å; R307-E365 PolarHBondContact NE-OE2 3.08Å; R307-E365 IonicContact NH2-OE1 3.07Å; R307-E365 IonicContact NH2-OE2 3.18Å; R307-E365 PolarHBondContact NH2-OE2 3.29Å; L346-E365 PolarHBondContact O-N 3.37Å; P347-E365 WeakPolarHBondContact CB-OE2 3.31Å; E365-D367 VanDerWaalsContact C-N 3.34Å; E365-I368 PolarHBondContact O-N 3.07Å; E365-I369 HydrophobicContact CB-CD1 3.66Å; E365-I369 HydrophobicContact CB-CG1 4.37Å; E365-I369 HydrophobicContact CG-CD1 3.81Å; E365-I369 WeakPolarHBondContact O-CB 3.48Å; E365-I369 WeakPolarHBondContact O-CG1 3.39Å; E365-I369 PolarHBondContact O-N 2.91Å; E365-I807 HydrophobicContact CB-CG2 3.7Å
366	M	82.6	Confident	75.8	Confident	10 Å²	10	27.2 Å²	27.2	5%	0.049	14%	0.142	C	C	.	.	G	3₁₀ helix	trans	-65	-35.1	173.4	-57.4	170.6	83.6	0	0	112.9	Y349 S364 I368 I807 E811	Y349-M366 HydrophobicContact CD2-CE 3.85Å; Y349-M366 HydrophobicContact CD2-SD 3.66Å; Y349-M366 HydrophobicContact CE2-CE 4.08Å; Y349-M366 HydrophobicContact CE2-SD 4.34Å; Y349-M366 HydrophobicContact CG-SD 4.47Å; S364-M366 PolarHBondContact O-N 3.26Å; S364-M366 WeakPolarHBondContact OG-CB 3.43Å; S364-M366 VanDerWaalsContact OG-CG 3.25Å; S364-M366 WeakPolarHBondContact OG-CG 3.19Å; S364-M366 PolarHBondContact OG-N 3.23Å; M366-I368 PolarHBondContact O-N 3.28Å; M366-I807 HydrophobicContact CB-CG2 4.46Å; M366-I807 HydrophobicContact CG-CB 4.11Å; M366-I807 HydrophobicContact CG-CD1 3.98Å; M366-I807 HydrophobicContact CG-CG1 3.7Å; M366-I807 HydrophobicContact CG-CG2 3.46Å; M366-I807 VanDerWaalsContact CG-CG2 3.46Å; M366-I807 HydrophobicContact SD-CD1 3.99Å; M366-I807 HydrophobicContact SD-CG1 3.85Å; M366-E811 HydrophobicContact CE-CB 3.76Å; M366-E811 HydrophobicContact CE-CG 3.87Å; M366-E811 WeakPolarHBondContact CE-OE2 3.48Å
367	D	83.4	Confident	75.6	Confident	1 Å²	1	27.3 Å²	27.3	1%	0.005	15%	0.146	C	C	.	.	G	3₁₀ helix	trans	-79.7	-8.8	-178.5	-53.9	-55	0	0	0	112.5	L363 S364 E365 Y370 G383 N386	L363-D367 HydrophobicContact CB-CB 4.13Å; L363-D367 HydrophobicContact CD1-CB 4.4Å; S364-D367 WeakPolarHBondContact CA-OD2 3.5Å; S364-D367 WeakPolarHBondContact CB-OD2 3.3Å; S364-D367 PolarHBondContact N-OD2 3.06Å; S364-D367 PolarHBondContact O-N 2.87Å; E365-D367 VanDerWaalsContact C-N 3.34Å; D367-Y370 PolarHBondContact O-OH 2.77Å; D367-G383 WeakPolarHBondContact O-CA 3.35Å; D367-N386 HydrophobicContact CB-CB 4.42Å; D367-N386 PolarHBondContact OD1-ND2 3.12Å
368	I	85.4	Confident	74.8	Confident	1 Å²	1	30.7 Å²	30.7	1%	0.005	16%	0.163	C	C	.	.	T	Hydrogen-bonded Turn	trans	-125.3	-40.6	-165.9	-75.5	163.2	0	0	0	113.1	L304 L306 S317 V343 G345 L363 E365 M366 Y370	L304-I368 HydrophobicContact CD1-CD1 4Å; L304-I368 HydrophobicContact CD1-CG1 4.38Å; L304-I368 HydrophobicContact CD1-CG2 3.93Å; L304-I368 HydrophobicContact CD2-CG2 3.92Å; L304-I368 HydrophobicContact CG-CG2 4.33Å; L306-I368 HydrophobicContact CD1-CG2 3.97Å; L306-I368 HydrophobicContact CD2-CG2 3.98Å; L306-I368 HydrophobicContact CG-CG2 4.33Å; S317-I368 WeakPolarHBondContact CB-O 3.25Å; S317-I368 PolarHBondContact OG-O 3.06Å; V343-I368 HydrophobicContact CG1-CD1 4.05Å; G345-I368 VanDerWaalsContact CA-CD1 3.42Å; L363-I368 HydrophobicContact CB-CD1 3.84Å; L363-I368 HydrophobicContact CB-CG1 4.49Å; L363-I368 HydrophobicContact CD1-CD1 4.28Å; L363-I368 HydrophobicContact CD1-CG1 4.41Å; E365-I368 PolarHBondContact O-N 3.07Å; M366-I368 PolarHBondContact O-N 3.28Å; I368-Y370 PolarHBondContact O-N 3.43Å
369	I	77.4	Confident	74.1	Confident	4 Å²	4	29.1 Å²	29.1	2%	0.021	15%	0.154	C	C	.	.			trans	-76.7	99.9	-170.7	-63.8	167	0	0	0	110	L306 F310 E365 V375	L306-I369 HydrophobicContact CD1-CG1 4.42Å; F310-I369 HydrophobicContact CB-CD1 4.03Å; F310-I369 HydrophobicContact CB-CG1 4.4Å; F310-I369 HydrophobicContact CD1-CD1 3.62Å; F310-I369 HydrophobicContact CD1-CG1 4.38Å; F310-I369 HydrophobicContact CD1-CG2 4.19Å; F310-I369 HydrophobicContact CE1-CD1 4.21Å; F310-I369 HydrophobicContact CG-CD1 3.8Å; E365-I369 HydrophobicContact CB-CD1 3.66Å; E365-I369 HydrophobicContact CB-CG1 4.37Å; E365-I369 HydrophobicContact CG-CD1 3.81Å; E365-I369 WeakPolarHBondContact O-CB 3.48Å; E365-I369 WeakPolarHBondContact O-CG1 3.39Å; E365-I369 PolarHBondContact O-N 2.91Å; I369-V375 WeakPolarHBondContact O-CG2 3.13Å
370	Y	69	Low	73.3	Confident	9 Å²	9	27.6 Å²	27.6	4%	0.035	15%	0.146	C	C	.	.			trans	-100.8	134.5	172.7	-55.1	-24.5	0	0	0	109.8	D367 I368 V375 L380 G383 T384	D367-Y370 PolarHBondContact O-OH 2.77Å; I368-Y370 PolarHBondContact O-N 3.43Å; Y370-V375 HydrophobicContact CD1-CG1 4.44Å; Y370-L380 HydrophobicContact CD1-CD1 3.78Å; Y370-L380 HydrophobicContact CD2-CD1 3.95Å; Y370-L380 HydrophobicContact CE1-CD1 3.61Å; Y370-L380 HydrophobicContact CE2-CD1 3.75Å; Y370-L380 HydrophobicContact CG-CD1 3.97Å; Y370-G383 VanDerWaalsContact OH-C 3.29Å; Y370-T384 PolarHBondContact OH-N 3.48Å; Y370-T384 VanDerWaalsContact OH-N 3.14Å; Y370-T384 PolarHBondContact OH-OG1 3Å; Y370-T384 VanDerWaalsContact OH-OG1 3.13Å
371	G	54.3	Low	72.5	Confident	21 Å²	21	27.6 Å²	27.6	22%	0.216	15%	0.145	C	C	.	.			trans	167.1	156.7	179.8	0	0	0	0	0	115.6	K373	G371-K373 PolarHBondContact O-N 2.72Å
372	E	48.7	Very low	71.8	Confident	176 Å²	176	30.6 Å²	30.6	82%	0.822	16%	0.158	S	C	*	.	T	Hydrogen-bonded Turn	trans	-52.2	-18.7	-167	-58	-178.9	149.8	0	0	117
373	K	52.3	Low	71.4	Confident	157 Å²	157	30.5 Å²	30.5	68%	0.683	16%	0.158	S	C	*	.	T	Hydrogen-bonded Turn	trans	-101.6	-18.9	-166.5	-68.9	-175	-179.6	176.3	0	115.4	G371 R771	G371-K373 PolarHBondContact O-N 2.72Å; K373-R771 VanDerWaalsContact O-CZ 3.28Å; K373-R771 PolarHBondContact O-NH1 3.22Å; K373-R771 PolarHBondContact O-NH2 3.02Å
374	S	52.8	Low	70.9	Confident	19 Å²	19	30.6 Å²	30.6	13%	0.133	16%	0.158	C	C	.	.	T	Hydrogen-bonded Turn	trans	-150.4	6.2	-154.8	56	0	0	0	0	118.3	N806	S374-N806 WeakPolarHBondContact CB-ND2 3.27Å; S374-N806 PolarHBondContact OG-ND2 3.06Å; S374-N806 VanDerWaalsContact OG-ND2 3.13Å
375	V	59.9	Low	70.6	Confident	18 Å²	18	31.7 Å²	31.7	11%	0.109	16%	0.164	C	C	.	.			trans	-119.6	121.3	-165.5	-170.6	0	0	0	0	111.5	I369 Y370 L380 M774	I369-V375 WeakPolarHBondContact O-CG2 3.13Å; Y370-V375 HydrophobicContact CD1-CG1 4.44Å; V375-L380 HydrophobicContact CG1-CB 4.37Å; V375-M774 PolarHBondContact N-SD 2.67Å; V375-M774 WeakPolarHBondContact O-CE 3.31Å
376	S	65.2	Low	70.4	Confident	22 Å²	22	32.6 Å²	32.6	15%	0.154	17%	0.169	C	C	.	.			trans	-77.9	156.2	171.6	81.1	0	0	0	0	110.7	I378 S379 L380 N775	S376-I378 PolarHBondContact O-N 2.78Å; S376-I378 PolarHBondContact OG-N 2.83Å; S376-S379 WeakPolarHBondContact O-CB 3.45Å; S376-S379 PolarHBondContact O-N 3.33Å; S376-S379 PolarHBondContact OG-N 3.36Å; S376-S379 PolarHBondContact OG-OG 3.48Å; S376-L380 PolarHBondContact O-N 3.07Å; S376-L380 VanDerWaalsContact O-N 3.12Å; S376-N775 WeakPolarHBondContact CA-OD1 3.04Å; S376-N775 WeakPolarHBondContact CB-OD1 3.29Å
377	G	66.7	Low	70.5	Confident	12 Å²	12	32.4 Å²	32.4	12%	0.124	17%	0.168	C	C	.	.	H	α-helix	trans	-57.7	-35	173.8	0	0	0	0	0	112.3	L380 E381 N775	G377-L380 WeakPolarHBondContact O-CB 3.45Å; G377-L380 PolarHBondContact O-N 2.97Å; G377-E381 WeakPolarHBondContact O-CB 3.39Å; G377-E381 PolarHBondContact O-N 3.05Å; G377-N775 PolarHBondContact N-OD1 3.27Å
378	I	66.5	Low	70.7	Confident	72 Å²	72	32.4 Å²	32.4	37%	0.369	17%	0.168	S	C	.	.	H	α-helix	trans	-68.6	-35.3	176.7	-57.7	171	0	0	0	111.4	L2 S376 L380 K382	L2-I378 HydrophobicContact CD1-CD1 3.9Å; L2-I378 HydrophobicContact CD2-CD1 4.25Å; S376-I378 PolarHBondContact O-N 2.78Å; S376-I378 PolarHBondContact OG-N 2.83Å; I378-L380 VanDerWaalsContact C-N 3.32Å; I378-K382 VanDerWaalsContact O-CB 3.32Å; I378-K382 WeakPolarHBondContact O-CB 2.93Å; I378-K382 PolarHBondContact O-N 3.28Å
379	S	71.7	Confident	70.8	Confident	17 Å²	17	33 Å²	33	12%	0.119	17%	0.172	C	C	.	.	H	α-helix	trans	-64.5	-38.8	173.1	-52.4	0	0	0	0	111.1	S376 G383	S376-S379 WeakPolarHBondContact O-CB 3.45Å; S376-S379 PolarHBondContact O-N 3.33Å; S376-S379 PolarHBondContact OG-N 3.36Å; S376-S379 PolarHBondContact OG-OG 3.48Å; S379-G383 PolarHBondContact O-N 3.28Å
380	L	72.6	Confident	71.3	Confident	9 Å²	9	32.9 Å²	32.9	5%	0.047	17%	0.171	C	C	.	.	H	α-helix	trans	-72.8	-38.5	178.3	-177.4	56.1	0	0	0	112.5	Y370 V375 S376 G377 I378 T384 L436 L439 L440	Y370-L380 HydrophobicContact CD1-CD1 3.78Å; Y370-L380 HydrophobicContact CD2-CD1 3.95Å; Y370-L380 HydrophobicContact CE1-CD1 3.61Å; Y370-L380 HydrophobicContact CE2-CD1 3.75Å; Y370-L380 HydrophobicContact CG-CD1 3.97Å; V375-L380 HydrophobicContact CG1-CB 4.37Å; S376-L380 PolarHBondContact O-N 3.07Å; S376-L380 VanDerWaalsContact O-N 3.12Å; G377-L380 WeakPolarHBondContact O-CB 3.45Å; G377-L380 PolarHBondContact O-N 2.97Å; I378-L380 VanDerWaalsContact C-N 3.32Å; L380-T384 WeakPolarHBondContact O-CB 3.06Å; L380-T384 PolarHBondContact O-N 3.24Å; L380-T384 VanDerWaalsContact O-N 3.08Å; L380-T384 PolarHBondContact O-OG1 3.49Å; L380-L436 HydrophobicContact CD1-CD2 4.12Å; L380-L436 HydrophobicContact CD2-CD2 3.74Å; L380-L436 HydrophobicContact CG-CD2 3.96Å; L380-L439 HydrophobicContact CD2-CB 4.44Å; L380-L440 HydrophobicContact CD2-CD1 3.98Å; L380-L440 HydrophobicContact CD2-CD2 4.45Å; L380-L440 HydrophobicContact CD2-CG 4.08Å
381	E	73.3	Confident	72.4	Confident	24 Å²	24	32.5 Å²	32.5	11%	0.112	17%	0.169	C	C	.	.	H	α-helix	trans	-55.8	-63.7	168.8	-169.3	166.9	109	0	0	110.3	G377 G383 T384 L385 L448 R718	G377-E381 WeakPolarHBondContact O-CB 3.39Å; G377-E381 PolarHBondContact O-N 3.05Å; E381-G383 PolarHBondContact O-N 3.33Å; E381-T384 PolarHBondContact O-N 2.97Å; E381-L385 HydrophobicContact CG-CD1 4.1Å; E381-L385 WeakPolarHBondContact O-CB 3.36Å; E381-L385 WeakPolarHBondContact O-CG 3.33Å; E381-L385 PolarHBondContact O-N 3.29Å; E381-L448 HydrophobicContact CB-CD2 3.62Å; E381-L448 HydrophobicContact CG-CB 4.47Å; E381-L448 HydrophobicContact CG-CD2 3.87Å; E381-R718 IonicContact OE1-NH2 2.63Å; E381-R718 PolarHBondContact OE1-NH2 3.08Å
382	K	76.2	Confident	74.2	Confident	66 Å²	66	31.5 Å²	31.5	29%	0.287	16%	0.159	S	C	.	.	H	α-helix	trans	-56.9	-44.7	-179.7	-179.1	-179.7	172.7	-173.7	0	112.5	V350 I378 N386	V350-K382 PolarHBondContact O-NZ 3.25Å; I378-K382 VanDerWaalsContact O-CB 3.32Å; I378-K382 WeakPolarHBondContact O-CB 2.93Å; I378-K382 PolarHBondContact O-N 3.28Å; K382-N386 VanDerWaalsContact O-CB 3.26Å; K382-N386 WeakPolarHBondContact O-CB 3.29Å; K382-N386 VanDerWaalsContact O-CG 3.25Å; K382-N386 PolarHBondContact O-N 2.74Å; K382-N386 PolarHBondContact O-ND2 2.84Å
383	G	79.8	Confident	76.2	Confident	0 Å²	0	24.2 Å²	24.2	0%	0	13%	0.125	C	C	.	.	H	α-helix	trans	-63	-46.4	-179.4	0	0	0	0	0	112.6	D367 Y370 S379 E381 N386 V387	D367-G383 WeakPolarHBondContact O-CA 3.35Å; Y370-G383 VanDerWaalsContact OH-C 3.29Å; S379-G383 PolarHBondContact O-N 3.28Å; E381-G383 PolarHBondContact O-N 3.33Å; G383-N386 PolarHBondContact O-N 2.83Å; G383-V387 WeakPolarHBondContact O-CG2 3.19Å; G383-V387 PolarHBondContact O-N 3.31Å
384	T	77.6	Confident	78.1	Confident	4 Å²	4	16.8 Å²	16.8	3%	0.025	9%	0.093	C	C	.	.	H	α-helix	trans	-69.9	-37.5	-179.3	-47.8	0	0	0	0	111.6	T320 Y370 L380 E381 V387 G388 F449	T320-T384 HydrophobicContact CG2-CG2 3.97Å; Y370-T384 PolarHBondContact OH-N 3.48Å; Y370-T384 VanDerWaalsContact OH-N 3.14Å; Y370-T384 PolarHBondContact OH-OG1 3Å; Y370-T384 VanDerWaalsContact OH-OG1 3.13Å; L380-T384 WeakPolarHBondContact O-CB 3.06Å; L380-T384 PolarHBondContact O-N 3.24Å; L380-T384 VanDerWaalsContact O-N 3.08Å; L380-T384 PolarHBondContact O-OG1 3.49Å; E381-T384 PolarHBondContact O-N 2.97Å; T384-V387 PolarHBondContact O-N 2.97Å; T384-G388 PolarHBondContact O-N 3.47Å; T384-F449 HydrophobicContact CG2-CE1 4.38Å; T384-F449 HydrophobicContact CG2-CZ 3.72Å
385	L	79.6	Confident	80	Confident	23 Å²	23	15.9 Å²	15.9	12%	0.12	9%	0.086	C	C	.	.	H	α-helix	trans	-61.7	-45.4	170.7	-73.6	170.2	0	0	0	111.7	E381 G388 N389 Q419 F449 E453	E381-L385 HydrophobicContact CG-CD1 4.1Å; E381-L385 WeakPolarHBondContact O-CB 3.36Å; E381-L385 WeakPolarHBondContact O-CG 3.33Å; E381-L385 PolarHBondContact O-N 3.29Å; L385-G388 PolarHBondContact O-N 3.43Å; L385-N389 PolarHBondContact O-N 3.07Å; L385-Q419 VanDerWaalsContact C-NE2 3.31Å; L385-Q419 HydrophobicContact CD2-CB 4.2Å; L385-Q419 PolarHBondContact O-NE2 2.88Å; L385-F449 HydrophobicContact CD2-CD1 3.72Å; L385-F449 HydrophobicContact CD2-CE1 3.93Å; L385-F449 HydrophobicContact CG-CE1 4.45Å; L385-E453 WeakPolarHBondContact CD1-OE2 3.45Å
386	N	83.1	Confident	81.5	Confident	20 Å²	20	15.5 Å²	15.5	11%	0.107	8%	0.083	C	C	.	.	H	α-helix	trans	-65.4	-39.2	179	-79.7	-18.4	0	0	0	112.3	P353 L363 D367 K382 G383 N389 A390	P353-N386 HydrophobicContact CG-CB 4Å; P353-N386 VanDerWaalsContact CG-OD1 3.3Å; P353-N386 WeakPolarHBondContact CG-OD1 3.45Å; L363-N386 HydrophobicContact CD2-CB 4.35Å; D367-N386 HydrophobicContact CB-CB 4.42Å; D367-N386 PolarHBondContact OD1-ND2 3.12Å; K382-N386 VanDerWaalsContact O-CB 3.26Å; K382-N386 WeakPolarHBondContact O-CB 3.29Å; K382-N386 VanDerWaalsContact O-CG 3.25Å; K382-N386 PolarHBondContact O-N 2.74Å; K382-N386 PolarHBondContact O-ND2 2.84Å; G383-N386 PolarHBondContact O-N 2.83Å; N386-N389 PolarHBondContact O-N 2.71Å; N386-A390 WeakPolarHBondContact O-CB 3.4Å; N386-A390 PolarHBondContact O-N 2.86Å
387	V	86	Confident	82.4	Confident	6 Å²	6	14.7 Å²	14.7	4%	0.036	8%	0.078	C	C	.	.	H	α-helix	trans	-59.5	-45.6	169.3	162.9	0	0	0	0	111.3	I321 L363 G383 T384 N389 A390 L391	I321-V387 HydrophobicContact CB-CG1 4.28Å; I321-V387 HydrophobicContact CG1-CG1 3.67Å; I321-V387 HydrophobicContact CG1-CG2 4.04Å; I321-V387 HydrophobicContact CG2-CG1 4.47Å; L363-V387 HydrophobicContact CD1-CG2 3.74Å; G383-V387 WeakPolarHBondContact O-CG2 3.19Å; G383-V387 PolarHBondContact O-N 3.31Å; T384-V387 PolarHBondContact O-N 2.97Å; V387-N389 PolarHBondContact O-N 3.47Å; V387-A390 WeakPolarHBondContact O-CB 3.39Å; V387-A390 PolarHBondContact O-N 2.77Å; V387-L391 HydrophobicContact CG1-CD1 3.74Å; V387-L391 HydrophobicContact CG1-CG 4.46Å; V387-L391 VanDerWaalsContact O-CG 3.31Å; V387-L391 WeakPolarHBondContact O-CG 3.41Å; V387-L391 PolarHBondContact O-N 2.83Å
388	G	86.9	Confident	83.5	Confident	1 Å²	1	14.5 Å²	14.5	1%	0.01	8%	0.075	C	C	.	.	H	α-helix	trans	-61.4	-43.4	178.1	0	0	0	0	0	113.4	T384 L385 A392	T384-G388 PolarHBondContact O-N 3.47Å; L385-G388 PolarHBondContact O-N 3.43Å; G388-A392 VanDerWaalsContact O-CB 3.32Å; G388-A392 WeakPolarHBondContact O-CB 3.14Å; G388-A392 PolarHBondContact O-N 2.99Å
389	N	86.8	Confident	84.7	Confident	14 Å²	14	11.5 Å²	11.5	8%	0.075	6%	0.059	C	C	.	.	H	α-helix	trans	-62.8	-46.7	174.7	-162.2	-72.6	0	0	0	111.3	L385 N386 V387 L391 A392 Q393 C416 Q419	L385-N389 PolarHBondContact O-N 3.07Å; N386-N389 PolarHBondContact O-N 2.71Å; V387-N389 PolarHBondContact O-N 3.47Å; N389-L391 PolarHBondContact O-N 2.76Å; N389-A392 PolarHBondContact O-N 2.93Å; N389-Q393 WeakPolarHBondContact O-CG 3.32Å; N389-Q393 PolarHBondContact O-N 3.05Å; N389-Q393 PolarHBondContact OD1-NE2 3.11Å; N389-C416 PolarHBondContact ND2-SG 3.45Å; N389-Q419 HydrophobicContact CB-CG 4.06Å; N389-Q419 PolarHBondContact ND2-OE1 2.63Å
390	A	88.7	Confident	85.7	Confident	0 Å²	0	10.7 Å²	10.7	0%	0	5%	0.053	C	C	.	.	H	α-helix	trans	-59	-43.9	-179.7	0	0	0	0	0	113.3	Q356 I361 L363 N386 V387	Q356-A390 VanDerWaalsContact CD-CA 3.46Å; Q356-A390 VanDerWaalsContact CD-CB 3.48Å; I361-A390 HydrophobicContact CD1-CB 4.03Å; I361-A390 HydrophobicContact CG1-CB 4.33Å; I361-A390 HydrophobicContact CG2-CB 3.71Å; L363-A390 HydrophobicContact CD2-CB 4.39Å; N386-A390 WeakPolarHBondContact O-CB 3.4Å; N386-A390 PolarHBondContact O-N 2.86Å; V387-A390 WeakPolarHBondContact O-CB 3.39Å; V387-A390 PolarHBondContact O-N 2.77Å
391	L	91.6	Very high	86.4	Confident	1 Å²	1	10.8 Å²	10.8	1%	0.005	5%	0.054	C	C	.	.	H	α-helix	trans	-67.2	-46	175.4	-68.5	166.7	0	0	0	111.1	I321 V324 L325 L328 L341 I361 V387 N389 Q393 Q394 W395	I321-L391 HydrophobicContact CG2-CD1 4.23Å; I321-L391 HydrophobicContact CG2-CD2 4.32Å; V324-L391 HydrophobicContact CB-CD1 3.68Å; V324-L391 HydrophobicContact CG1-CD1 3.49Å; V324-L391 VanDerWaalsContact CG1-CD1 3.49Å; L325-L391 HydrophobicContact CB-CD1 4.34Å; L325-L391 HydrophobicContact CB-CD2 4.17Å; L325-L391 HydrophobicContact CD1-CD2 4.02Å; L328-L391 HydrophobicContact CD1-CB 3.76Å; L341-L391 HydrophobicContact CD2-CD2 3.61Å; I361-L391 HydrophobicContact CD1-CD2 3.79Å; I361-L391 HydrophobicContact CD1-CG 4.22Å; V387-L391 HydrophobicContact CG1-CD1 3.74Å; V387-L391 HydrophobicContact CG1-CG 4.46Å; V387-L391 VanDerWaalsContact O-CG 3.31Å; V387-L391 WeakPolarHBondContact O-CG 3.41Å; V387-L391 PolarHBondContact O-N 2.83Å; N389-L391 PolarHBondContact O-N 2.76Å; L391-Q393 VanDerWaalsContact C-N 3.3Å; L391-Q393 PolarHBondContact O-N 3.23Å; L391-Q394 VanDerWaalsContact O-CB 3.26Å; L391-Q394 WeakPolarHBondContact O-CB 3.19Å; L391-Q394 WeakPolarHBondContact O-CG 3.04Å; L391-Q394 PolarHBondContact O-N 2.98Å; L391-W395 VanDerWaalsContact O-CE3 3.25Å; L391-W395 VanDerWaalsContact O-CZ3 3.26Å; L391-W395 WeakPolarHBondContact O-CZ3 3.02Å
392	A	91.8	Very high	87	Confident	0 Å²	0	10.6 Å²	10.6	0%	0	6%	0.055	C	C	.	.	H	α-helix	trans	-61.4	-33.5	-179.5	0	0	0	0	0	113.6	L328 G388 N389 Q394 W395 F396 A415 L418	L328-A392 HydrophobicContact CD1-CB 4.38Å; G388-A392 VanDerWaalsContact O-CB 3.32Å; G388-A392 WeakPolarHBondContact O-CB 3.14Å; G388-A392 PolarHBondContact O-N 2.99Å; N389-A392 PolarHBondContact O-N 2.93Å; A392-Q394 PolarHBondContact O-N 3.22Å; A392-W395 PolarHBondContact O-N 3.03Å; A392-F396 PolarHBondContact O-N 3.25Å; A392-A415 HydrophobicContact CB-CB 3.86Å; A392-L418 HydrophobicContact CB-CB 3.96Å; A392-L418 HydrophobicContact CB-CD1 3.81Å
393	Q	90.5	Very high	87.5	Confident	24 Å²	24	12.1 Å²	12.1	11%	0.112	6%	0.062	C	C	.	.	H	α-helix	trans	-63.6	-23.4	174.7	-71.9	-170	47.6	0	0	113.5	Q356 N389 L391 W395 F396 G397 N398 A415	Q356-Q393 HydrophobicContact CB-CB 3.92Å; Q356-Q393 HydrophobicContact CG-CB 3.99Å; Q356-Q393 HydrophobicContact CG-CG 4.25Å; N389-Q393 WeakPolarHBondContact O-CG 3.32Å; N389-Q393 PolarHBondContact O-N 3.05Å; N389-Q393 PolarHBondContact OD1-NE2 3.11Å; L391-Q393 VanDerWaalsContact C-N 3.3Å; L391-Q393 PolarHBondContact O-N 3.23Å; Q393-W395 PolarHBondContact O-N 3.35Å; Q393-W395 VanDerWaalsContact O-N 3.16Å; Q393-F396 PolarHBondContact O-N 2.99Å; Q393-G397 WeakPolarHBondContact O-CA 3.43Å; Q393-G397 PolarHBondContact O-N 3.09Å; Q393-N398 PolarHBondContact O-N 3.36Å; Q393-N398 VanDerWaalsContact O-N 3.08Å; Q393-A415 HydrophobicContact CG-CB 3.57Å
394	Q	92.3	Very high	87.5	Confident	1 Å²	1	14.6 Å²	14.6	1%	0.005	7%	0.071	C	C	.	.	I	π-helix	trans	-58.8	-29.6	175.5	-59.1	-63.2	-37.3	0	0	112.3	V336 A357 L391 A392 N398 L399	V336-Q394 HydrophobicContact CG1-CB 4Å; V336-Q394 HydrophobicContact CG2-CB 4Å; V336-Q394 WeakPolarHBondContact CG2-O 3.24Å; A357-Q394 PolarHBondContact O-NE2 2.88Å; A357-Q394 PolarHBondContact O-OE1 3.23Å; L391-Q394 VanDerWaalsContact O-CB 3.26Å; L391-Q394 WeakPolarHBondContact O-CB 3.19Å; L391-Q394 WeakPolarHBondContact O-CG 3.04Å; L391-Q394 PolarHBondContact O-N 2.98Å; A392-Q394 PolarHBondContact O-N 3.22Å; Q394-N398 VanDerWaalsContact CD-ND2 3.31Å; Q394-N398 PolarHBondContact NE2-ND2 3.46Å; Q394-N398 WeakPolarHBondContact O-CB 3.38Å; Q394-N398 PolarHBondContact OE1-ND2 2.9Å; Q394-N398 VanDerWaalsContact OE1-ND2 3.09Å; Q394-L399 VanDerWaalsContact O-CB 3.25Å; Q394-L399 WeakPolarHBondContact O-CB 3.26Å; Q394-L399 PolarHBondContact O-N 3.16Å
395	W	93.6	Very high	87.6	Confident	0 Å²	0	16 Å²	16	0%	0	8%	0.076	C	C	.	.	I	π-helix	trans	-85.6	-49.9	173.6	-71.2	-89.9	0	0	0	113.2	L325 L328 E329 I332 Y334 V336 L391 A392 Q393 V400 V520	L325-W395 HydrophobicContact CD1-CH2 3.96Å; L328-W395 HydrophobicContact CB-CH2 3.45Å; L328-W395 VanDerWaalsContact CB-CH2 3.45Å; L328-W395 HydrophobicContact CB-CZ2 4.26Å; L328-W395 HydrophobicContact CB-CZ3 3.67Å; L328-W395 HydrophobicContact CD1-CH2 4.42Å; L328-W395 HydrophobicContact CD1-CZ3 3.86Å; L328-W395 HydrophobicContact CG-CZ3 4.38Å; E329-W395 HydrophobicContact CB-CZ2 4.37Å; E329-W395 HydrophobicContact CG-CH2 3.98Å; E329-W395 HydrophobicContact CG-CZ2 3.65Å; I332-W395 HydrophobicContact CD1-CB 4.26Å; I332-W395 HydrophobicContact CD1-CD2 3.44Å; I332-W395 VanDerWaalsContact CD1-CD2 3.44Å; I332-W395 HydrophobicContact CD1-CE3 3.81Å; I332-W395 HydrophobicContact CD1-CG 3.67Å; I332-W395 HydrophobicContact CD1-CZ2 4.22Å; I332-W395 HydrophobicContact CD1-CZ3 4.34Å; I332-W395 HydrophobicContact CG2-CG 4.36Å; Y334-W395 PolarHBondContact O-NE1 3.26Å; V336-W395 HydrophobicContact CB-CD2 4.15Å; V336-W395 HydrophobicContact CB-CG 4.44Å; V336-W395 HydrophobicContact CB-CZ2 4.01Å; V336-W395 HydrophobicContact CG1-CD2 3.94Å; V336-W395 HydrophobicContact CG1-CE3 4.14Å; V336-W395 HydrophobicContact CG1-CH2 3.71Å; V336-W395 HydrophobicContact CG1-CZ2 3.47Å; V336-W395 VanDerWaalsContact CG1-CZ2 3.47Å; V336-W395 HydrophobicContact CG1-CZ3 4.02Å; V336-W395 HydrophobicContact CG2-CD2 4.46Å; V336-W395 HydrophobicContact CG2-CG 4.43Å; L391-W395 VanDerWaalsContact O-CE3 3.25Å; L391-W395 VanDerWaalsContact O-CZ3 3.26Å; L391-W395 WeakPolarHBondContact O-CZ3 3.02Å; A392-W395 PolarHBondContact O-N 3.03Å; Q393-W395 PolarHBondContact O-N 3.35Å; Q393-W395 VanDerWaalsContact O-N 3.16Å; W395-V400 WeakPolarHBondContact O-CB 3.49Å; W395-V400 PolarHBondContact O-N 2.93Å; W395-V520 HydrophobicContact CB-CG2 4.29Å
396	F	90.5	Very high	87.5	Confident	9 Å²	9	16.5 Å²	16.5	4%	0.039	8%	0.079	C	C	.	.	I	π-helix	trans	-105.5	-9.3	-163.9	-56.6	-77.2	0	0	0	115.6	I332 A392 Q393 V400 G411 A414 L418 L516 L519 V520	I332-F396 HydrophobicContact CD1-CE2 3.78Å; I332-F396 HydrophobicContact CD1-CZ 4.23Å; I332-F396 HydrophobicContact CG1-CE2 4.46Å; I332-F396 HydrophobicContact CG1-CZ 4.49Å; A392-F396 PolarHBondContact O-N 3.25Å; Q393-F396 PolarHBondContact O-N 2.99Å; F396-V400 CarbonylContact C-O 3.56Å; F396-V400 VanDerWaalsContact C-O 3.28Å; F396-G411 WeakPolarHBondContact O-CA 3.43Å; F396-A414 HydrophobicContact CB-CB 3.8Å; F396-A414 HydrophobicContact CD1-CB 4.37Å; F396-A414 HydrophobicContact CD2-CB 3.95Å; F396-A414 HydrophobicContact CG-CB 3.76Å; F396-L418 HydrophobicContact CD2-CD1 3.9Å; F396-L418 HydrophobicContact CE2-CD1 3.57Å; F396-L516 HydrophobicContact CE1-CD2 4.01Å; F396-L516 HydrophobicContact CZ-CB 4.15Å; F396-L516 HydrophobicContact CZ-CD1 4.22Å; F396-L516 HydrophobicContact CZ-CD2 3.85Å; F396-L516 HydrophobicContact CZ-CG 4.29Å; F396-L519 HydrophobicContact CD1-CD2 4.07Å; F396-L519 HydrophobicContact CE1-CD2 4Å; F396-V520 HydrophobicContact CD1-CG2 4.42Å; F396-V520 HydrophobicContact CE1-CG2 3.62Å; F396-V520 HydrophobicContact CZ-CG2 3.8Å
397	G	83.9	Confident	87.6	Confident	5 Å²	5	15.6 Å²	15.6	5%	0.052	8%	0.075	C	C	.	.	I	π-helix	trans	-103.9	-31.2	165.7	0	0	0	0	0	112.9	Q393 V400	Q393-G397 WeakPolarHBondContact O-CA 3.43Å; Q393-G397 PolarHBondContact O-N 3.09Å; G397-V400 CarbonylContact C-O 3.57Å; G397-V400 VanDerWaalsContact C-O 3.26Å
398	N	89.7	Confident	87.4	Confident	9 Å²	9	16.8 Å²	16.8	5%	0.048	8%	0.079	C	C	.	.	I	π-helix	trans	-108.6	-62.4	-164.3	-60.9	2.1	0	0	0	113.8	L281 Q356 A357 T358 Q393 Q394 V400 T401	L281-N398 HydrophobicContact CD1-CB 4.18Å; L281-N398 WeakPolarHBondContact CD2-OD1 3.46Å; Q356-N398 VanDerWaalsContact O-CG 3.29Å; Q356-N398 PolarHBondContact O-ND2 2.93Å; Q356-N398 PolarHBondContact O-OD1 2.86Å; A357-N398 PolarHBondContact O-ND2 3.46Å; T358-N398 PolarHBondContact N-ND2 3.47Å; T358-N398 WeakPolarHBondContact OG1-CB 3.31Å; Q393-N398 PolarHBondContact O-N 3.36Å; Q393-N398 VanDerWaalsContact O-N 3.08Å; Q394-N398 VanDerWaalsContact CD-ND2 3.31Å; Q394-N398 PolarHBondContact NE2-ND2 3.46Å; Q394-N398 WeakPolarHBondContact O-CB 3.38Å; Q394-N398 PolarHBondContact OE1-ND2 2.9Å; Q394-N398 VanDerWaalsContact OE1-ND2 3.09Å; N398-V400 VanDerWaalsContact C-N 3.35Å; N398-T401 VanDerWaalsContact O-CG2 3.31Å; N398-T401 WeakPolarHBondContact O-CG2 3.34Å
399	L	92.3	Very high	87.4	Confident	8 Å²	8	16.9 Å²	16.9	4%	0.042	8%	0.079	C	C	.	.	I	π-helix	trans	-68	-37.1	178	176	65	0	0	0	111.8	Y334 V336 Q394 V520 A524 Y525	Y334-L399 HydrophobicContact CD1-CD2 3.65Å; Y334-L399 HydrophobicContact CE1-CD1 4.42Å; Y334-L399 HydrophobicContact CE1-CD2 3.24Å; Y334-L399 HydrophobicContact CE1-CG 4.46Å; Y334-L399 HydrophobicContact CE2-CD2 4.47Å; Y334-L399 HydrophobicContact CG-CD2 4.44Å; V336-L399 HydrophobicContact CG2-CB 4.13Å; V336-L399 HydrophobicContact CG2-CD2 3.99Å; Q394-L399 VanDerWaalsContact O-CB 3.25Å; Q394-L399 WeakPolarHBondContact O-CB 3.26Å; Q394-L399 PolarHBondContact O-N 3.16Å; L399-V520 HydrophobicContact CD2-CG1 3.6Å; L399-A524 HydrophobicContact CD1-CB 3.83Å; L399-A524 HydrophobicContact CD2-CB 4.43Å; L399-A524 HydrophobicContact CG-CB 4.1Å; L399-Y525 HydrophobicContact CD1-CD1 3.86Å; L399-Y525 HydrophobicContact CD1-CD2 4.33Å; L399-Y525 HydrophobicContact CD1-CE1 3.38Å; L399-Y525 HydrophobicContact CD1-CE2 3.93Å; L399-Y525 HydrophobicContact CD1-CG 4.29Å; L399-Y525 PolarHBondContact O-N 3.23Å
400	V	92.4	Very high	87.5	Confident	0 Å²	0	16.6 Å²	16.6	0%	0	8%	0.077	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.1	124.1	168.9	-173.7	0	0	0	0	107.1	W395 F396 G397 N398 V520 I528	W395-V400 WeakPolarHBondContact O-CB 3.49Å; W395-V400 PolarHBondContact O-N 2.93Å; F396-V400 CarbonylContact C-O 3.56Å; F396-V400 VanDerWaalsContact C-O 3.28Å; G397-V400 CarbonylContact C-O 3.57Å; G397-V400 VanDerWaalsContact C-O 3.26Å; N398-V400 VanDerWaalsContact C-N 3.35Å; V400-V520 HydrophobicContact CG2-CG2 4.44Å; V400-I528 HydrophobicContact CG1-CB 4.38Å; V400-I528 HydrophobicContact CG1-CD1 3.68Å; V400-I528 HydrophobicContact CG1-CG1 3.77Å; V400-I528 HydrophobicContact CG1-CG2 3.78Å
401	T	88.6	Confident	87.6	Confident	11 Å²	11	16.7 Å²	16.7	7%	0.067	8%	0.078	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.8	167	-171.9	58.6	0	0	0	0	111.6	A278 L281 N398 A526 S527 I528	A278-T401 HydrophobicContact CB-CG2 3.98Å; L281-T401 HydrophobicContact CD1-CG2 4.18Å; N398-T401 VanDerWaalsContact O-CG2 3.31Å; N398-T401 WeakPolarHBondContact O-CG2 3.34Å; T401-A526 PolarHBondContact N-O 3.35Å; T401-A526 PolarHBondContact OG1-O 2.72Å; T401-S527 CarbonylContact O-C 3.6Å; T401-S527 WeakPolarHBondContact O-CA 3.41Å; T401-S527 WeakPolarHBondContact OG1-CA 3.37Å; T401-S527 WeakPolarHBondContact OG1-CB 3.47Å; T401-S527 PolarHBondContact OG1-OG 3.36Å; T401-I528 PolarHBondContact O-N 3.27Å
402	P	85.9	Confident	87.3	Confident	20 Å²	20	16.9 Å²	16.9	13%	0.13	8%	0.079	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84	137.3	173.8	34.1	-37.7	0	0	0	112.7	W404 Y408 I528	P402-W404 PolarHBondContact O-N 3Å; P402-Y408 HydrophobicContact CG-CD2 4.13Å; P402-I528 CarbonylContact C-O 3.49Å; P402-I528 WeakPolarHBondContact CA-O 3.4Å
403	K	85.7	Confident	87.3	Confident	98 Å²	98	16.9 Å²	16.9	43%	0.426	8%	0.079	S	C	.	.	S	Bend	trans	-60.3	-32.1	173.4	-79	172.7	-177.6	167.9	0	113.2	S527 I528 D529 D532	K403-S527 WeakPolarHBondContact CE-O 3.25Å; K403-S527 WeakPolarHBondContact CG-O 3.45Å; K403-I528 PolarHBondContact N-O 3.17Å; K403-D529 HydrophobicContact CD-CB 4.02Å; K403-D529 WeakPolarHBondContact CD-OD2 3.33Å; K403-D529 IonicContact NZ-OD2 2.75Å; K403-D529 PolarHBondContact NZ-OD2 2.63Å; K403-D532 WeakPolarHBondContact CE-OD2 3.19Å; K403-D532 IonicContact NZ-OD1 3.49Å; K403-D532 PolarHBondContact NZ-OD1 3.42Å; K403-D532 VanDerWaalsContact NZ-OD1 3.13Å; K403-D532 IonicContact NZ-OD2 2.72Å; K403-D532 PolarHBondContact NZ-OD2 3.06Å
404	W	81.1	Confident	87.4	Confident	53 Å²	53	16.1 Å²	16.1	20%	0.201	8%	0.077	C	C	.	.	S	Bend	trans	-159.7	163.6	175.8	-169.3	-114.7	0	0	0	109.5	P402 N406 S407 V478	P402-W404 PolarHBondContact O-N 3Å; W404-N406 PolarHBondContact O-N 3.28Å; W404-N406 VanDerWaalsContact O-N 3.07Å; W404-S407 PolarHBondContact O-N 3.5Å; W404-V478 PolarHBondContact NE1-O 3.47Å
405	W	78.4	Confident	87.3	Confident	32 Å²	32	16.1 Å²	16.1	12%	0.121	8%	0.077	C	C	.	.	G	3₁₀ helix	trans	-59.8	-23.9	-170.8	-59.8	126.3	0	0	0	115.6	P247 A248 H280 S407 Y408 V478 A484 F488	P247-W405 VanDerWaalsContact CA-CZ3 3.49Å; P247-W405 HydrophobicContact CB-CD2 4.37Å; P247-W405 HydrophobicContact CB-CE3 3.68Å; P247-W405 HydrophobicContact CB-CH2 4.15Å; P247-W405 HydrophobicContact CB-CZ3 3.57Å; P247-W405 HydrophobicContact CG-CE3 4.27Å; P247-W405 HydrophobicContact CG-CZ3 4.11Å; A248-W405 HydrophobicContact CB-CZ2 4.05Å; A248-W405 VanDerWaalsContact N-CZ2 3.34Å; H280-W405 HydrophobicContact CB-CH2 4.43Å; W405-S407 PolarHBondContact O-N 2.87Å; W405-S407 VanDerWaalsContact O-N 3.11Å; W405-Y408 PolarHBondContact O-N 2.92Å; W405-V478 HydrophobicContact CB-CB 4.34Å; W405-V478 HydrophobicContact CB-CG1 3.97Å; W405-V478 HydrophobicContact CB-CG2 4.45Å; W405-A484 HydrophobicContact CB-CB 3.66Å; W405-A484 HydrophobicContact CG-CB 3.72Å; W405-F488 HydrophobicContact CB-CE1 4.38Å; W405-F488 HydrophobicContact CB-CZ 3.94Å; W405-F488 HydrophobicContact CD2-CZ 4.17Å; W405-F488 AromaticContact CE3-CZ 3.94Å; W405-F488 HydrophobicContact CE3-CZ 3.94Å; W405-F488 HydrophobicContact CG-CZ 4.18Å
406	N	78.2	Confident	87.1	Confident	34 Å²	34	17 Å²	17	18%	0.182	8%	0.083	C	C	.	.	G	3₁₀ helix	trans	-67.9	-3.2	171.9	75.8	-43.8	0	0	0	114.4	W404 S475 G476 V478	W404-N406 PolarHBondContact O-N 3.28Å; W404-N406 VanDerWaalsContact O-N 3.07Å; N406-S475 PolarHBondContact ND2-O 3.13Å; N406-G476 WeakPolarHBondContact CB-O 3.45Å; N406-V478 HydrophobicContact CB-CB 4.39Å; N406-V478 HydrophobicContact CB-CG2 4.13Å
407	S	84.8	Confident	87.2	Confident	2 Å²	2	16.7 Å²	16.7	1%	0.014	8%	0.082	C	C	.	.	G	3₁₀ helix	trans	-117.4	3.2	175.6	-53.4	0	0	0	0	112.8	W404 W405 W409 I410 D529	W404-S407 PolarHBondContact O-N 3.5Å; W405-S407 PolarHBondContact O-N 2.87Å; W405-S407 VanDerWaalsContact O-N 3.11Å; S407-W409 PolarHBondContact O-N 3.31Å; S407-I410 WeakPolarHBondContact O-CG1 3.27Å; S407-I410 PolarHBondContact O-N 3.11Å; S407-D529 WeakPolarHBondContact OG-CB 3.14Å
408	Y	82.2	Confident	87.5	Confident	31 Å²	31	16.5 Å²	16.5	12%	0.122	8%	0.08	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60.7	-33.9	-179.2	-179.5	-108.7	0	0	0	112.6	P247 P402 W405 I410 G411 P412 F488 Y493	P247-Y408 HydrophobicContact CG-CD1 3.67Å; P247-Y408 HydrophobicContact CG-CD2 3.65Å; P247-Y408 HydrophobicContact CG-CE1 3.5Å; P247-Y408 HydrophobicContact CG-CE2 3.51Å; P247-Y408 HydrophobicContact CG-CG 3.75Å; P247-Y408 VanDerWaalsContact CG-CZ 3.44Å; P402-Y408 HydrophobicContact CG-CD2 4.13Å; W405-Y408 PolarHBondContact O-N 2.92Å; Y408-I410 PolarHBondContact O-N 3.16Å; Y408-G411 PolarHBondContact O-N 3.39Å; Y408-P412 HydrophobicContact CD1-CG 4.34Å; Y408-P412 HydrophobicContact CE1-CG 3.75Å; Y408-P412 WeakPolarHBondContact O-CD 3.4Å; Y408-F488 AromaticContact CD1-CD1 3.5Å; Y408-F488 HydrophobicContact CD1-CD1 3.5Å; Y408-F488 VanDerWaalsContact CD1-CD1 3.5Å; Y408-F488 AromaticContact CD1-CE1 3.64Å; Y408-F488 HydrophobicContact CD1-CE1 3.64Å; Y408-F488 HydrophobicContact CD1-CG 4.17Å; Y408-F488 HydrophobicContact CD1-CZ 4.4Å; Y408-F488 HydrophobicContact CE1-CD1 4.3Å; Y408-F488 HydrophobicContact CG-CD1 4.18Å; Y408-F488 AromaticContact CG-CE1 3.83Å; Y408-F488 HydrophobicContact CG-CE1 3.83Å; Y408-F488 HydrophobicContact CG-CZ 4.44Å; Y408-Y493 HydrophobicContact CD1-CE1 4.22Å; Y408-Y493 HydrophobicContact CE1-CE1 4.41Å; Y408-Y493 VanDerWaalsContact CE1-OH 3.31Å; Y408-Y493 WeakPolarHBondContact CE1-OH 3.05Å
409	W	86.1	Confident	87.3	Confident	3 Å²	3	17.1 Å²	17.1	1%	0.011	8%	0.082	C	C	.	.	T	Hydrogen-bonded Turn	trans	-51.5	-27.6	-179.8	68	-95.9	0	0	0	113.7	S407 G411 S413 L474 Y493 H530 F566	S407-W409 PolarHBondContact O-N 3.31Å; W409-G411 VanDerWaalsContact C-N 3.31Å; W409-G411 PolarHBondContact O-N 3.36Å; W409-S413 WeakPolarHBondContact O-CB 3.21Å; W409-S413 PolarHBondContact O-N 3.33Å; W409-S413 PolarHBondContact O-OG 3.22Å; W409-L474 HydrophobicContact CD2-CB 4.02Å; W409-L474 HydrophobicContact CD2-CD2 4.42Å; W409-L474 HydrophobicContact CE3-CD1 4.26Å; W409-L474 HydrophobicContact CG-CB 4.31Å; W409-L474 HydrophobicContact CH2-CD1 4.41Å; W409-L474 HydrophobicContact CZ2-CB 4.19Å; W409-L474 HydrophobicContact CZ3-CD1 4.23Å; W409-L474 PolarHBondContact NE1-O 3.34Å; W409-L474 VanDerWaalsContact NE1-O 3.13Å; W409-Y493 HydrophobicContact CB-CD1 4.18Å; W409-Y493 HydrophobicContact CB-CE1 4.4Å; W409-H530 HydrophobicContact CZ2-CB 3.89Å; W409-F566 AromaticContact CH2-CD1 3.34Å; W409-F566 HydrophobicContact CH2-CD1 3.34Å; W409-F566 AromaticContact CH2-CE1 3.29Å; W409-F566 HydrophobicContact CH2-CE1 3.29Å; W409-F566 HydrophobicContact CH2-CG 4.48Å; W409-F566 HydrophobicContact CH2-CZ 4.38Å; W409-F566 AromaticContact CZ2-CD1 3.56Å; W409-F566 HydrophobicContact CZ2-CD1 3.56Å; W409-F566 HydrophobicContact CZ2-CE1 4.02Å; W409-F566 HydrophobicContact CZ2-CG 4.44Å; W409-F566 HydrophobicContact CZ3-CD1 4.2Å; W409-F566 AromaticContact CZ3-CE1 3.94Å; W409-F566 HydrophobicContact CZ3-CE1 3.94Å
410	I	90	Very high	86.9	Confident	8 Å²	8	17.5 Å²	17.5	4%	0.041	8%	0.084	C	C	.	.	H	α-helix	trans	-56.1	-45.6	-176.5	-61.4	170.9	0	0	0	110.8	S407 Y408 A414 I528	S407-I410 WeakPolarHBondContact O-CG1 3.27Å; S407-I410 PolarHBondContact O-N 3.11Å; Y408-I410 PolarHBondContact O-N 3.16Å; I410-A414 WeakPolarHBondContact O-CB 3.41Å; I410-A414 PolarHBondContact O-N 3Å; I410-I528 HydrophobicContact CD1-CD1 4.18Å; I410-I528 HydrophobicContact CD1-CG1 4.29Å; I410-I528 HydrophobicContact CG2-CD1 4.1Å
411	G	89.2	Confident	86.4	Confident	2 Å²	2	17.9 Å²	17.9	2%	0.021	9%	0.086	C	C	.	.	H	α-helix	trans	-66	-59.7	-176.9	0	0	0	0	0	113.5	F396 Y408 W409 S413 A414 A415	F396-G411 WeakPolarHBondContact O-CA 3.43Å; Y408-G411 PolarHBondContact O-N 3.39Å; W409-G411 VanDerWaalsContact C-N 3.31Å; W409-G411 PolarHBondContact O-N 3.36Å; G411-S413 VanDerWaalsContact C-N 3.28Å; G411-S413 PolarHBondContact O-N 3.3Å; G411-A414 PolarHBondContact O-N 3.44Å; G411-A415 WeakPolarHBondContact O-CB 3.49Å; G411-A415 PolarHBondContact O-N 3.23Å
412	P	87.2	Confident	86	Confident	5 Å²	5	17.4 Å²	17.4	3%	0.032	8%	0.083	C	C	.	.	H	α-helix	trans	-59.6	-35.4	175.6	-26.5	37	0	0	0	113.2	Y408 A415 C416 Y493	Y408-P412 HydrophobicContact CD1-CG 4.34Å; Y408-P412 HydrophobicContact CE1-CG 3.75Å; Y408-P412 WeakPolarHBondContact O-CD 3.4Å; P412-A415 PolarHBondContact O-N 2.8Å; P412-C416 WeakPolarHBondContact O-CB 3.49Å; P412-C416 PolarHBondContact O-N 2.89Å; P412-C416 PolarHBondContact O-SG 2.83Å; P412-Y493 HydrophobicContact CB-CD1 3.75Å; P412-Y493 HydrophobicContact CB-CD2 3.61Å; P412-Y493 HydrophobicContact CB-CE1 4.07Å; P412-Y493 HydrophobicContact CB-CE2 3.95Å; P412-Y493 HydrophobicContact CB-CG 3.52Å; P412-Y493 HydrophobicContact CG-CD1 4.18Å; P412-Y493 HydrophobicContact CG-CD2 4.34Å; P412-Y493 HydrophobicContact CG-CE1 4.01Å; P412-Y493 HydrophobicContact CG-CE2 4.2Å; P412-Y493 HydrophobicContact CG-CG 4.35Å
413	S	91.5	Very high	85.2	Confident	0 Å²	0	17 Å²	17	0%	0	8%	0.081	C	C	.	.	H	α-helix	trans	-69.5	-40.7	177.5	-57.8	0	0	0	0	112.5	W409 G411 A415 C416 F417 Y493 A497	W409-S413 WeakPolarHBondContact O-CB 3.21Å; W409-S413 PolarHBondContact O-N 3.33Å; W409-S413 PolarHBondContact O-OG 3.22Å; G411-S413 VanDerWaalsContact C-N 3.28Å; G411-S413 PolarHBondContact O-N 3.3Å; S413-A415 VanDerWaalsContact C-N 3.33Å; S413-C416 PolarHBondContact O-N 3.39Å; S413-F417 WeakPolarHBondContact O-CB 3.43Å; S413-F417 PolarHBondContact O-N 3.4Å; S413-Y493 WeakPolarHBondContact OG-CA 3.5Å; S413-Y493 PolarHBondContact OG-O 3.19Å; S413-A497 WeakPolarHBondContact O-CB 3.4Å
414	A	92.4	Very high	84.5	Confident	8 Å²	8	18.2 Å²	18.2	7%	0.066	9%	0.093	C	C	.	.	H	α-helix	trans	-64.5	-39.8	173.1	0	0	0	0	0	111	F396 I410 G411 F417 L418 L500	F396-A414 HydrophobicContact CB-CB 3.8Å; F396-A414 HydrophobicContact CD1-CB 4.37Å; F396-A414 HydrophobicContact CD2-CB 3.95Å; F396-A414 HydrophobicContact CG-CB 3.76Å; I410-A414 WeakPolarHBondContact O-CB 3.41Å; I410-A414 PolarHBondContact O-N 3Å; G411-A414 PolarHBondContact O-N 3.44Å; A414-F417 PolarHBondContact O-N 3.43Å; A414-L418 WeakPolarHBondContact O-CB 3.25Å; A414-L418 WeakPolarHBondContact O-CD1 3.4Å; A414-L418 WeakPolarHBondContact O-CG 3.04Å; A414-L418 PolarHBondContact O-N 3.15Å; A414-L500 HydrophobicContact CB-CD1 4.38Å
415	A	90.5	Very high	84.2	Confident	0 Å²	0	18.4 Å²	18.4	0%	0	10%	0.097	C	C	.	.	H	α-helix	trans	-63.9	-45.1	174.3	0	0	0	0	0	112.6	A392 Q393 G411 P412 S413 F417 L418 Q419	A392-A415 HydrophobicContact CB-CB 3.86Å; Q393-A415 HydrophobicContact CG-CB 3.57Å; G411-A415 WeakPolarHBondContact O-CB 3.49Å; G411-A415 PolarHBondContact O-N 3.23Å; P412-A415 PolarHBondContact O-N 2.8Å; S413-A415 VanDerWaalsContact C-N 3.33Å; A415-F417 VanDerWaalsContact C-N 3.34Å; A415-F417 PolarHBondContact O-N 2.95Å; A415-L418 PolarHBondContact O-N 3.41Å; A415-Q419 PolarHBondContact O-N 2.8Å; A415-Q419 VanDerWaalsContact O-N 3.09Å
416	C	88.7	Confident	83.9	Confident	19 Å²	19	17.7 Å²	17.7	13%	0.128	10%	0.095	C	C	.	.	H	α-helix	trans	-63.7	-35.8	174.7	-71.6	0	0	0	0	113.1	N389 P412 S413 A497	N389-C416 PolarHBondContact ND2-SG 3.45Å; P412-C416 WeakPolarHBondContact O-CB 3.49Å; P412-C416 PolarHBondContact O-N 2.89Å; P412-C416 PolarHBondContact O-SG 2.83Å; S413-C416 PolarHBondContact O-N 3.39Å; C416-A497 HydrophobicContact CB-CB 3.63Å
417	F	92	Very high	82.9	Confident	3 Å²	3	18.9 Å²	18.9	1%	0.013	10%	0.104	C	C	.	.	H	α-helix	trans	-67.6	-42.5	170.7	171.3	-100.5	0	0	0	112	S413 A414 A415 Q419 L420 I421 A497 L500 R501 Y504 F512	S413-F417 WeakPolarHBondContact O-CB 3.43Å; S413-F417 PolarHBondContact O-N 3.4Å; A414-F417 PolarHBondContact O-N 3.43Å; A415-F417 VanDerWaalsContact C-N 3.34Å; A415-F417 PolarHBondContact O-N 2.95Å; F417-Q419 VanDerWaalsContact C-N 3.3Å; F417-Q419 PolarHBondContact O-N 3.44Å; F417-L420 WeakPolarHBondContact O-CB 3.32Å; F417-L420 PolarHBondContact O-N 2.82Å; F417-L420 VanDerWaalsContact O-N 3.16Å; F417-I421 HydrophobicContact CE1-CG2 4.32Å; F417-I421 HydrophobicContact CZ-CG2 3.92Å; F417-A497 HydrophobicContact CB-CB 4.38Å; F417-L500 HydrophobicContact CB-CB 4Å; F417-L500 HydrophobicContact CB-CD1 4.14Å; F417-L500 HydrophobicContact CD2-CB 4.17Å; F417-L500 HydrophobicContact CG-CB 3.94Å; F417-R501 HydrophobicContact CD2-CB 3.95Å; F417-R501 HydrophobicContact CE2-CB 3.97Å; F417-Y504 HydrophobicContact CE1-CD2 4.46Å; F417-Y504 HydrophobicContact CE2-CG 4.24Å; F417-Y504 HydrophobicContact CZ-CD1 4.43Å; F417-Y504 AromaticContact CZ-CD2 3.71Å; F417-Y504 HydrophobicContact CZ-CD2 3.71Å; F417-Y504 HydrophobicContact CZ-CE2 4.35Å; F417-Y504 AromaticContact CZ-CG 3.75Å; F417-Y504 HydrophobicContact CZ-CG 3.75Å; F417-F512 AromaticContact CD1-CE1 3.84Å; F417-F512 HydrophobicContact CD1-CE1 3.84Å; F417-F512 AromaticContact CD1-CZ 3.88Å; F417-F512 HydrophobicContact CD1-CZ 3.88Å; F417-F512 HydrophobicContact CE1-CD1 4.07Å; F417-F512 AromaticContact CE1-CE1 3.3Å; F417-F512 HydrophobicContact CE1-CE1 3.3Å; F417-F512 AromaticContact CE1-CZ 3.59Å; F417-F512 HydrophobicContact CE1-CZ 3.59Å; F417-F512 HydrophobicContact CZ-CE1 4.07Å; F417-F512 HydrophobicContact CZ-CZ 4.15Å
418	L	91	Very high	81.4	Confident	1 Å²	1	22.3 Å²	22.3	1%	0.005	13%	0.126	C	C	.	.	H	α-helix	trans	-67.2	-29.2	-176.3	-75.2	167.4	0	0	0	112.9	L328 Y331 I332 A392 F396 A414 A415 L420 I421 I422 L516	L328-L418 HydrophobicContact CD2-CB 4.45Å; L328-L418 HydrophobicContact CD2-CD2 4.37Å; Y331-L418 HydrophobicContact CD1-CD2 4.47Å; Y331-L418 HydrophobicContact CE1-CD2 4.45Å; I332-L418 HydrophobicContact CD1-CD1 4.44Å; A392-L418 HydrophobicContact CB-CB 3.96Å; A392-L418 HydrophobicContact CB-CD1 3.81Å; F396-L418 HydrophobicContact CD2-CD1 3.9Å; F396-L418 HydrophobicContact CE2-CD1 3.57Å; A414-L418 WeakPolarHBondContact O-CB 3.25Å; A414-L418 WeakPolarHBondContact O-CD1 3.4Å; A414-L418 WeakPolarHBondContact O-CG 3.04Å; A414-L418 PolarHBondContact O-N 3.15Å; A415-L418 PolarHBondContact O-N 3.41Å; L418-L420 PolarHBondContact O-N 3.2Å; L418-I421 HydrophobicContact CD2-CD1 3.56Å; L418-I421 HydrophobicContact CD2-CG1 3.93Å; L418-I421 WeakPolarHBondContact O-CG1 3.15Å; L418-I421 PolarHBondContact O-N 3.01Å; L418-I421 VanDerWaalsContact O-N 3.11Å; L418-I422 VanDerWaalsContact O-CG1 3.24Å; L418-I422 WeakPolarHBondContact O-CG1 3.32Å; L418-I422 PolarHBondContact O-N 3.02Å; L418-L516 HydrophobicContact CD2-CD1 3.98Å
419	Q	84.5	Confident	79.9	Confident	22 Å²	22	30 Å²	30	10%	0.103	16%	0.163	C	C	.	.	H	α-helix	trans	-50.2	-40.1	170.1	-73.9	174.7	-75.9	0	0	113	L385 N389 A415 F417	L385-Q419 VanDerWaalsContact C-NE2 3.31Å; L385-Q419 HydrophobicContact CD2-CB 4.2Å; L385-Q419 PolarHBondContact O-NE2 2.88Å; N389-Q419 HydrophobicContact CB-CG 4.06Å; N389-Q419 PolarHBondContact ND2-OE1 2.63Å; A415-Q419 PolarHBondContact O-N 2.8Å; A415-Q419 VanDerWaalsContact O-N 3.09Å; F417-Q419 VanDerWaalsContact C-N 3.3Å; F417-Q419 PolarHBondContact O-N 3.44Å
420	L	83.9	Confident	78.5	Confident	16 Å²	16	32.9 Å²	32.9	8%	0.084	18%	0.177	C	C	.	.	H	α-helix	trans	-66	-38.3	179.5	174.5	61.2	0	0	0	113	F417 L418 E451 F454 R501	F417-L420 WeakPolarHBondContact O-CB 3.32Å; F417-L420 PolarHBondContact O-N 2.82Å; F417-L420 VanDerWaalsContact O-N 3.16Å; L418-L420 PolarHBondContact O-N 3.2Å; L420-E451 HydrophobicContact CD1-CB 4.41Å; L420-E451 HydrophobicContact CD1-CG 3.94Å; L420-F454 HydrophobicContact CB-CD2 3.79Å; L420-F454 HydrophobicContact CB-CE2 4.31Å; L420-F454 HydrophobicContact CB-CG 4.4Å; L420-F454 HydrophobicContact CD1-CB 4.01Å; L420-F454 HydrophobicContact CD1-CG 4.47Å; L420-F454 HydrophobicContact CD2-CB 4.29Å; L420-F454 HydrophobicContact CD2-CD1 4.29Å; L420-F454 HydrophobicContact CD2-CD2 3.97Å; L420-F454 HydrophobicContact CD2-CE2 4.39Å; L420-F454 HydrophobicContact CD2-CG 3.91Å; L420-F454 HydrophobicContact CG-CD2 4.35Å; L420-F454 HydrophobicContact CG-CG 4.5Å; L420-R501 HydrophobicContact CD2-CG 4.16Å
421	I	83.3	Confident	76.8	Confident	8 Å²	8	41.1 Å²	41.1	4%	0.041	22%	0.215	C	C	.	.	H	α-helix	trans	-87.3	-22.5	-177.5	72	167.4	0	0	0	112.8	Y331 F417 L418 A423 N424 L425	Y331-I421 HydrophobicContact CD1-CD1 3.66Å; Y331-I421 HydrophobicContact CD2-CD1 4.45Å; Y331-I421 HydrophobicContact CE1-CD1 3.24Å; Y331-I421 HydrophobicContact CE2-CD1 4.11Å; Y331-I421 HydrophobicContact CG-CD1 4.24Å; Y331-I421 VanDerWaalsContact CZ-CD1 3.49Å; F417-I421 HydrophobicContact CE1-CG2 4.32Å; F417-I421 HydrophobicContact CZ-CG2 3.92Å; L418-I421 HydrophobicContact CD2-CD1 3.56Å; L418-I421 HydrophobicContact CD2-CG1 3.93Å; L418-I421 WeakPolarHBondContact O-CG1 3.15Å; L418-I421 PolarHBondContact O-N 3.01Å; L418-I421 VanDerWaalsContact O-N 3.11Å; I421-A423 PolarHBondContact O-N 2.89Å; I421-A423 VanDerWaalsContact O-N 3.12Å; I421-N424 WeakPolarHBondContact O-CB 3.36Å; I421-N424 PolarHBondContact O-N 2.64Å; I421-L425 HydrophobicContact CD1-CD1 3.93Å; I421-L425 HydrophobicContact CG1-CD1 3.96Å; I421-L425 WeakPolarHBondContact O-CG 3.31Å; I421-L425 PolarHBondContact O-N 3.48Å
422	I	79.6	Confident	75.2	Confident	1 Å²	1	42.3 Å²	42.3	1%	0.005	22%	0.223	C	C	.	.	H	α-helix	trans	-50	-41.1	-175.8	-87.3	168	0	0	0	112.5	V324 L328 L418 L425 I426 F449	V324-I422 HydrophobicContact CG1-CD1 3.94Å; V324-I422 HydrophobicContact CG1-CG1 4.31Å; V324-I422 HydrophobicContact CG1-CG2 3.96Å; V324-I422 HydrophobicContact CG2-CG2 4.32Å; L328-I422 HydrophobicContact CD1-CD1 3.99Å; L328-I422 HydrophobicContact CD1-CG1 4.45Å; L328-I422 HydrophobicContact CD2-CD1 4.08Å; L328-I422 HydrophobicContact CD2-CG1 3.85Å; L328-I422 HydrophobicContact CG-CD1 4.27Å; L328-I422 HydrophobicContact CG-CG1 4.18Å; L418-I422 VanDerWaalsContact O-CG1 3.24Å; L418-I422 WeakPolarHBondContact O-CG1 3.32Å; L418-I422 PolarHBondContact O-N 3.02Å; I422-L425 PolarHBondContact O-N 3.47Å; I422-I426 HydrophobicContact CG2-CD1 3.8Å; I422-I426 WeakPolarHBondContact O-CD1 3.49Å; I422-I426 VanDerWaalsContact O-CG1 3.32Å; I422-I426 WeakPolarHBondContact O-CG1 3.5Å; I422-I426 PolarHBondContact O-N 3.27Å; I422-F449 HydrophobicContact CG2-CE1 4.4Å
423	A	68.6	Low	73.7	Confident	11 Å²	11	42.5 Å²	42.5	9%	0.091	22%	0.224	C	C	.	.	H	α-helix	trans	-59.9	-51.5	175.3	0	0	0	0	0	113.3	I421 L425 I426 V427 F449	I421-A423 PolarHBondContact O-N 2.89Å; I421-A423 VanDerWaalsContact O-N 3.12Å; A423-L425 PolarHBondContact O-N 2.67Å; A423-I426 PolarHBondContact O-N 3.13Å; A423-V427 WeakPolarHBondContact O-CB 3.38Å; A423-V427 WeakPolarHBondContact O-CG2 3.43Å; A423-V427 PolarHBondContact O-N 3.36Å; A423-F449 HydrophobicContact CB-CB 3.35Å; A423-F449 HydrophobicContact CB-CD1 4.09Å; A423-F449 HydrophobicContact CB-CD2 3.5Å; A423-F449 HydrophobicContact CB-CE2 4.2Å; A423-F449 HydrophobicContact CB-CG 3.44Å; A423-F449 VanDerWaalsContact CB-CG 3.44Å
424	N	70.9	Confident	72	Confident	124 Å²	124	46.6 Å²	46.6	66%	0.663	25%	0.249	S	C	*	.	H	α-helix	trans	-61.6	-17.4	179.3	-63.5	-42.3	0	0	0	112.7	I421	I421-N424 WeakPolarHBondContact O-CB 3.36Å; I421-N424 PolarHBondContact O-N 2.64Å
425	L	76.3	Confident	70.2	Confident	57 Å²	57	49.9 Å²	49.9	30%	0.298	27%	0.265	S	S	.	.	H	α-helix	trans	-89.9	-15.7	176.4	-59.4	174.8	0	0	0	114.4	A327 Y331 I421 I422 A423	A327-L425 HydrophobicContact CB-CB 3.87Å; Y331-L425 HydrophobicContact CD1-CD1 4.32Å; Y331-L425 HydrophobicContact CD2-CD1 4.07Å; Y331-L425 HydrophobicContact CD2-CD2 3.41Å; Y331-L425 VanDerWaalsContact CD2-CD2 3.41Å; Y331-L425 HydrophobicContact CD2-CG 4.38Å; Y331-L425 HydrophobicContact CE2-CD2 4.07Å; Y331-L425 HydrophobicContact CG-CD1 3.75Å; Y331-L425 HydrophobicContact CG-CD2 3.95Å; I421-L425 HydrophobicContact CD1-CD1 3.93Å; I421-L425 HydrophobicContact CG1-CD1 3.96Å; I421-L425 WeakPolarHBondContact O-CG 3.31Å; I421-L425 PolarHBondContact O-N 3.48Å; I422-L425 PolarHBondContact O-N 3.47Å; A423-L425 PolarHBondContact O-N 2.67Å
426	I	70.3	Confident	68.5	Low	16 Å²	16	50.3 Å²	50.3	8%	0.082	27%	0.267	C	S	.	.	H	α-helix	trans	-113.2	-31.1	-177.9	-45.4	158.1	0	0	0	111.8	A323 V324 A327 I422 A423 P428 Q429 L433	A323-I426 HydrophobicContact CB-CG2 3.9Å; V324-I426 HydrophobicContact CB-CD1 4.18Å; V324-I426 HydrophobicContact CG2-CD1 3.55Å; A327-I426 HydrophobicContact CB-CG1 3.62Å; I422-I426 HydrophobicContact CG2-CD1 3.8Å; I422-I426 WeakPolarHBondContact O-CD1 3.49Å; I422-I426 VanDerWaalsContact O-CG1 3.32Å; I422-I426 WeakPolarHBondContact O-CG1 3.5Å; I422-I426 PolarHBondContact O-N 3.27Å; A423-I426 PolarHBondContact O-N 3.13Å; I426-P428 WeakPolarHBondContact O-CA 3.43Å; I426-Q429 PolarHBondContact O-N 3.23Å; I426-L433 HydrophobicContact CB-CD1 3.87Å; I426-L433 HydrophobicContact CG2-CD1 3.41Å; I426-L433 VanDerWaalsContact CG2-CD1 3.41Å; I426-L433 HydrophobicContact CG2-CD2 4.35Å; I426-L433 HydrophobicContact CG2-CG 3.77Å
427	V	58.2	Low	67	Low	60 Å²	60	52.2 Å²	52.2	36%	0.364	27%	0.274	S	S	.	.	T	Hydrogen-bonded Turn	trans	-54.8	126.8	-177.4	162.4	0	0	0	0	113.8	A423 F445	A423-V427 WeakPolarHBondContact O-CB 3.38Å; A423-V427 WeakPolarHBondContact O-CG2 3.43Å; A423-V427 PolarHBondContact O-N 3.36Å; V427-F445 HydrophobicContact CG2-CE1 4.09Å
428	P	52.1	Low	65.3	Low	74 Å²	74	55.9 Å²	55.9	48%	0.481	30%	0.3	S	S	.	.	T	Hydrogen-bonded Turn		-102.9	96.5	-63.4	31.5	-16.1	0	0	0	108.5	I426	I426-P428 WeakPolarHBondContact O-CA 3.43Å
429	Q	51.6	Low	63.6	Low	193 Å²	193	59.8 Å²	59.8	90%	0.902	32%	0.321	S	S	*	.	T	Hydrogen-bonded Turn	trans	-97.7	-8.7	173.5	-66.6	-168.5	17.3	0	0	113.7	I426	I426-Q429 PolarHBondContact O-N 3.23Å
430	E	56.8	Low	62.2	Low	63 Å²	63	59.7 Å²	59.7	29%	0.294	32%	0.32	S	S	.	.	S	Bend	trans	-116.1	140.9	179.2	-65	-171.1	-172.4	0	0	112.1	A323 N326 S432 L433	A323-E430 WeakPolarHBondContact CB-OE2 3.37Å; N326-E430 PolarHBondContact ND2-OE1 3.09Å; E430-S432 WeakPolarHBondContact CB-OG 3.42Å; E430-S432 PolarHBondContact O-N 3.21Å; E430-S432 VanDerWaalsContact O-N 3.15Å; E430-S432 PolarHBondContact OE2-OG 3.04Å; E430-L433 PolarHBondContact O-N 3.09Å
431	E	54.9	Low	60.8	Low	181 Å²	181	62.8 Å²	62.8	85%	0.846	34%	0.337	S	S	*	.	H	α-helix	trans	-57.4	-25.3	171.4	-61.2	-178.4	140.7	0	0	112.6	L433 V434	E431-L433 VanDerWaalsContact C-N 3.27Å; E431-L433 PolarHBondContact O-N 3.05Å; E431-V434 WeakPolarHBondContact O-CB 3.37Å; E431-V434 PolarHBondContact O-N 3.43Å; E431-V434 VanDerWaalsContact O-N 3.1Å
432	S	54.5	Low	59.2	Low	27 Å²	27	67 Å²	67	19%	0.189	36%	0.357	C	S	.	.	H	α-helix	trans	-56.6	-36.6	177.7	62.1	0	0	0	0	112.9	E430	E430-S432 WeakPolarHBondContact CB-OG 3.42Å; E430-S432 PolarHBondContact O-N 3.21Å; E430-S432 VanDerWaalsContact O-N 3.15Å; E430-S432 PolarHBondContact OE2-OG 3.04Å
433	L	56.7	Low	58.1	Low	9 Å²	9	76.5 Å²	76.5	5%	0.047	39%	0.393	C	S	.	.	H	α-helix	trans	-79.6	-25.1	176.6	-82.3	-166.5	0	0	0	114	I426 E430 E431 L435 L436 Q437 F445	I426-L433 HydrophobicContact CB-CD1 3.87Å; I426-L433 HydrophobicContact CG2-CD1 3.41Å; I426-L433 VanDerWaalsContact CG2-CD1 3.41Å; I426-L433 HydrophobicContact CG2-CD2 4.35Å; I426-L433 HydrophobicContact CG2-CG 3.77Å; E430-L433 PolarHBondContact O-N 3.09Å; E431-L433 VanDerWaalsContact C-N 3.27Å; E431-L433 PolarHBondContact O-N 3.05Å; L433-L435 PolarHBondContact O-N 3.16Å; L433-L436 HydrophobicContact CD2-CB 4.24Å; L433-L436 HydrophobicContact CD2-CD1 3.93Å; L433-L436 WeakPolarHBondContact O-CA 3.48Å; L433-L436 WeakPolarHBondContact O-CB 3.49Å; L433-L436 PolarHBondContact O-N 2.89Å; L433-Q437 WeakPolarHBondContact O-CB 3.33Å; L433-Q437 PolarHBondContact O-N 3.22Å; L433-F445 HydrophobicContact CD1-CE1 4.48Å; L433-F445 HydrophobicContact CD1-CZ 3.86Å; L433-F445 HydrophobicContact CD2-CE2 4.09Å; L433-F445 HydrophobicContact CD2-CZ 3.91Å; L433-F445 HydrophobicContact CG-CZ 4.38Å
434	V	56.3	Low	57.5	Low	86 Å²	86	78.1 Å²	78.1	52%	0.521	40%	0.403	S	S	.	.	H	α-helix	trans	-59.3	-32.1	179.9	-178	0	0	0	0	110.4	E431 Q437 S438	E431-V434 WeakPolarHBondContact O-CB 3.37Å; E431-V434 PolarHBondContact O-N 3.43Å; E431-V434 VanDerWaalsContact O-N 3.1Å; V434-Q437 CarbonylContact O-C 3.59Å; V434-S438 PolarHBondContact O-N 3.08Å
435	L	53.8	Low	56.8	Low	77 Å²	77	72.7 Å²	72.7	40%	0.403	37%	0.374	S	S	.	.	H	α-helix	trans	-71	-41.2	173.3	-165.9	73	0	0	0	112.7	Q316 L433 Q437 S438 L439	Q316-L435 HydrophobicContact CG-CD2 3.72Å; L433-L435 PolarHBondContact O-N 3.16Å; L435-Q437 VanDerWaalsContact C-N 3.26Å; L435-Q437 PolarHBondContact O-N 2.91Å; L435-S438 WeakPolarHBondContact CA-OG 3.3Å; L435-S438 CarbonylContact O-C 3.59Å; L435-S438 WeakPolarHBondContact O-CA 3.18Å; L435-S438 WeakPolarHBondContact O-CB 3.2Å; L435-S438 PolarHBondContact O-N 3.22Å; L435-S438 PolarHBondContact O-OG 2.91Å; L435-L439 WeakPolarHBondContact O-CG 3.41Å; L435-L439 PolarHBondContact O-N 3.42Å
436	L	54.7	Low	55.7	Low	9 Å²	9	76.8 Å²	76.8	5%	0.047	39%	0.385	C	S	.	.	H	α-helix	trans	-62.6	-36.7	175.2	-131.8	164.5	0	0	0	111.1	T320 L380 L433 S438 L440 F445 L448	T320-L436 HydrophobicContact CG2-CD1 3.96Å; L380-L436 HydrophobicContact CD1-CD2 4.12Å; L380-L436 HydrophobicContact CD2-CD2 3.74Å; L380-L436 HydrophobicContact CG-CD2 3.96Å; L433-L436 HydrophobicContact CD2-CB 4.24Å; L433-L436 HydrophobicContact CD2-CD1 3.93Å; L433-L436 WeakPolarHBondContact O-CA 3.48Å; L433-L436 WeakPolarHBondContact O-CB 3.49Å; L433-L436 PolarHBondContact O-N 2.89Å; L436-S438 PolarHBondContact O-N 2.69Å; L436-L440 HydrophobicContact CD2-CD1 4.18Å; L436-L440 PolarHBondContact O-N 3.41Å; L436-F445 HydrophobicContact CB-CD2 4.25Å; L436-F445 HydrophobicContact CB-CE2 4.01Å; L436-F445 HydrophobicContact CD1-CE2 4.42Å; L436-F445 HydrophobicContact CD2-CD2 3.85Å; L436-F445 HydrophobicContact CD2-CE2 3.92Å; L436-F445 HydrophobicContact CG-CE2 4.33Å; L436-L448 HydrophobicContact CD2-CD1 4.07Å
437	Q	56.2	Low	55	Low	58 Å²	58	77.6 Å²	77.6	27%	0.271	39%	0.392	S	S	.	.	H	α-helix	trans	-77.4	7.8	171.4	-158.5	178.8	2.9	0	0	113.7	L433 V434 L435 L440 F445	L433-Q437 WeakPolarHBondContact O-CB 3.33Å; L433-Q437 PolarHBondContact O-N 3.22Å; V434-Q437 CarbonylContact O-C 3.59Å; L435-Q437 VanDerWaalsContact C-N 3.26Å; L435-Q437 PolarHBondContact O-N 2.91Å; Q437-L440 CarbonylContact C-O 3.46Å; Q437-L440 VanDerWaalsContact O-O 3.09Å; Q437-F445 HydrophobicContact CB-CD1 4.37Å; Q437-F445 HydrophobicContact CB-CG 4.25Å; Q437-F445 HydrophobicContact CG-CB 4.32Å; Q437-F445 HydrophobicContact CG-CD1 4.13Å; Q437-F445 HydrophobicContact CG-CG 4.27Å
438	S	57.1	Low	54.9	Low	81 Å²	81	74.9 Å²	74.9	57%	0.566	38%	0.375	S	S	*	.	H	α-helix	trans	-119.7	-26.3	172	77.1	0	0	0	0	112.8	V434 L435 L436 L440	V434-S438 PolarHBondContact O-N 3.08Å; L435-S438 WeakPolarHBondContact CA-OG 3.3Å; L435-S438 CarbonylContact O-C 3.59Å; L435-S438 WeakPolarHBondContact O-CA 3.18Å; L435-S438 WeakPolarHBondContact O-CB 3.2Å; L435-S438 PolarHBondContact O-N 3.22Å; L435-S438 PolarHBondContact O-OG 2.91Å; L436-S438 PolarHBondContact O-N 2.69Å; S438-L440 VanDerWaalsContact C-N 3.27Å
439	L	54.7	Low	55.2	Low	83 Å²	83	72.5 Å²	72.5	44%	0.435	36%	0.358	S	S	.	.	H	α-helix	trans	-73.3	-21.7	168.3	-68.1	169.4	0	0	0	112.4	L380 L435	L380-L439 HydrophobicContact CD2-CB 4.44Å; L435-L439 WeakPolarHBondContact O-CG 3.41Å; L435-L439 PolarHBondContact O-N 3.42Å
440	L	55.4	Low	55.9	Low	19 Å²	19	66.4 Å²	66.4	10%	0.099	33%	0.329	C	S	.	.	S	Bend	trans	-128.2	146.9	172.8	-59.7	172.1	0	0	0	107.7	L380 L436 Q437 S438 F445 L448	L380-L440 HydrophobicContact CD2-CD1 3.98Å; L380-L440 HydrophobicContact CD2-CD2 4.45Å; L380-L440 HydrophobicContact CD2-CG 4.08Å; L436-L440 HydrophobicContact CD2-CD1 4.18Å; L436-L440 PolarHBondContact O-N 3.41Å; Q437-L440 CarbonylContact C-O 3.46Å; Q437-L440 VanDerWaalsContact O-O 3.09Å; S438-L440 VanDerWaalsContact C-N 3.27Å; L440-F445 HydrophobicContact CB-CB 4.32Å; L440-L448 HydrophobicContact CD1-CD1 3.62Å; L440-L448 HydrophobicContact CD1-CD2 3.71Å; L440-L448 HydrophobicContact CD1-CG 3.88Å
441	D	53.9	Low	57.1	Low	82 Å²	82	66.1 Å²	66.1	44%	0.439	33%	0.328	S	S	.	.			trans	-67.4	164.3	168.4	82.1	98.2	0	0	0	110.6	R443 S444 F445	D441-R443 PolarHBondContact O-N 2.8Å; D441-R443 VanDerWaalsContact O-N 3.11Å; D441-R443 WeakPolarHBondContact OD1-CB 3.19Å; D441-R443 PolarHBondContact OD1-N 3.17Å; D441-R443 IonicContact OD1-NE 2.95Å; D441-S444 PolarHBondContact O-N 3.2Å; D441-S444 WeakPolarHBondContact OD2-CB 3.29Å; D441-S444 PolarHBondContact OD2-N 3.24Å; D441-S444 PolarHBondContact OD2-OG 3.32Å; D441-F445 PolarHBondContact O-N 2.98Å
442	E	51.1	Low	58.7	Low	96 Å²	96	57.7 Å²	57.7	45%	0.449	29%	0.289	S	S	.	.	H	α-helix	trans	-57	-33.5	-174.9	-166.5	-173.8	164.5	0	0	113.1	R446	E442-R446 VanDerWaalsContact O-CB 3.3Å; E442-R446 WeakPolarHBondContact O-CB 3.06Å; E442-R446 WeakPolarHBondContact O-CG 3.17Å; E442-R446 PolarHBondContact O-N 2.93Å; E442-R446 IonicContact OE1-CZ 2.73Å; E442-R446 IonicContact OE1-NE 2.7Å; E442-R446 PolarHBondContact OE1-NE 3.19Å; E442-R446 IonicContact OE1-NH2 2.68Å; E442-R446 PolarHBondContact OE1-NH2 2.89Å
443	R	55.5	Low	60	Low	201 Å²	201	58 Å²	58	76%	0.758	29%	0.288	S	S	*	.	H	α-helix	trans	-73	-41.7	177.3	-65.9	177.3	-71.1	-168.9	-4	111.3	D441 R446 S447	D441-R443 PolarHBondContact O-N 2.8Å; D441-R443 VanDerWaalsContact O-N 3.11Å; D441-R443 WeakPolarHBondContact OD1-CB 3.19Å; D441-R443 PolarHBondContact OD1-N 3.17Å; D441-R443 IonicContact OD1-NE 2.95Å; R443-R446 CarbonylContact O-C 3.6Å; R443-R446 PolarHBondContact O-N 2.87Å; R443-S447 WeakPolarHBondContact O-CB 3.22Å; R443-S447 PolarHBondContact O-N 3.33Å
444	S	55.9	Low	61.6	Low	45 Å²	45	58 Å²	58	32%	0.315	29%	0.287	S	S	.	.	H	α-helix	trans	-65.7	-38.8	172.7	-82.2	0	0	0	0	113.3	D441 R446 S447 L448	D441-S444 PolarHBondContact O-N 3.2Å; D441-S444 WeakPolarHBondContact OD2-CB 3.29Å; D441-S444 PolarHBondContact OD2-N 3.24Å; D441-S444 PolarHBondContact OD2-OG 3.32Å; S444-R446 VanDerWaalsContact C-N 3.34Å; S444-R446 PolarHBondContact O-N 3.49Å; S444-S447 WeakPolarHBondContact CA-OG 3.2Å; S444-S447 PolarHBondContact O-N 3.32Å; S444-S447 VanDerWaalsContact O-N 3.13Å; S444-S447 PolarHBondContact O-OG 2.84Å; S444-L448 WeakPolarHBondContact O-CG 3.28Å; S444-L448 PolarHBondContact O-N 3.16Å
445	F	56	Low	63.4	Low	9 Å²	9	53.9 Å²	53.9	4%	0.039	26%	0.262	C	S	.	.	H	α-helix	trans	-64.3	-40.7	173.7	179.9	-102.8	0	0	0	111.6	V427 L433 L436 Q437 L440 D441 S447 L448	V427-F445 HydrophobicContact CG2-CE1 4.09Å; L433-F445 HydrophobicContact CD1-CE1 4.48Å; L433-F445 HydrophobicContact CD1-CZ 3.86Å; L433-F445 HydrophobicContact CD2-CE2 4.09Å; L433-F445 HydrophobicContact CD2-CZ 3.91Å; L433-F445 HydrophobicContact CG-CZ 4.38Å; L436-F445 HydrophobicContact CB-CD2 4.25Å; L436-F445 HydrophobicContact CB-CE2 4.01Å; L436-F445 HydrophobicContact CD1-CE2 4.42Å; L436-F445 HydrophobicContact CD2-CD2 3.85Å; L436-F445 HydrophobicContact CD2-CE2 3.92Å; L436-F445 HydrophobicContact CG-CE2 4.33Å; Q437-F445 HydrophobicContact CB-CD1 4.37Å; Q437-F445 HydrophobicContact CB-CG 4.25Å; Q437-F445 HydrophobicContact CG-CB 4.32Å; Q437-F445 HydrophobicContact CG-CD1 4.13Å; Q437-F445 HydrophobicContact CG-CG 4.27Å; L440-F445 HydrophobicContact CB-CB 4.32Å; D441-F445 PolarHBondContact O-N 2.98Å; F445-S447 VanDerWaalsContact C-N 3.27Å; F445-S447 PolarHBondContact O-N 3.33Å; F445-L448 HydrophobicContact CD2-CD1 4Å; F445-L448 HydrophobicContact CE2-CD1 4.33Å
446	R	54.7	Low	65.2	Low	144 Å²	144	50.2 Å²	50.2	54%	0.543	24%	0.243	S	C	.	.	H	α-helix	trans	-71.2	-16.5	173.1	-70.2	175.6	-174.9	-83	5.1	113.4	E442 R443 S444 Q450	E442-R446 VanDerWaalsContact O-CB 3.3Å; E442-R446 WeakPolarHBondContact O-CB 3.06Å; E442-R446 WeakPolarHBondContact O-CG 3.17Å; E442-R446 PolarHBondContact O-N 2.93Å; E442-R446 IonicContact OE1-CZ 2.73Å; E442-R446 IonicContact OE1-NE 2.7Å; E442-R446 PolarHBondContact OE1-NE 3.19Å; E442-R446 IonicContact OE1-NH2 2.68Å; E442-R446 PolarHBondContact OE1-NH2 2.89Å; R443-R446 CarbonylContact O-C 3.6Å; R443-R446 PolarHBondContact O-N 2.87Å; S444-R446 VanDerWaalsContact C-N 3.34Å; S444-R446 PolarHBondContact O-N 3.49Å; R446-Q450 VanDerWaalsContact O-CG 3.23Å; R446-Q450 WeakPolarHBondContact O-CG 3.47Å
447	S	55.5	Low	66.7	Low	32 Å²	32	50.9 Å²	50.9	22%	0.224	25%	0.246	C	C	.	.	H	α-helix	trans	-80.7	-31.6	178.2	72.6	0	0	0	0	113.3	R443 S444 F445 F449 Q450	R443-S447 WeakPolarHBondContact O-CB 3.22Å; R443-S447 PolarHBondContact O-N 3.33Å; S444-S447 WeakPolarHBondContact CA-OG 3.2Å; S444-S447 PolarHBondContact O-N 3.32Å; S444-S447 VanDerWaalsContact O-N 3.13Å; S444-S447 PolarHBondContact O-OG 2.84Å; F445-S447 VanDerWaalsContact C-N 3.27Å; F445-S447 PolarHBondContact O-N 3.33Å; S447-F449 PolarHBondContact O-N 2.94Å; S447-Q450 PolarHBondContact O-N 2.88Å
448	L	54.6	Low	68.4	Low	3 Å²	3	49.2 Å²	49.2	2%	0.016	24%	0.239	C	C	.	.	T	Hydrogen-bonded Turn	trans	-52.3	-15	-175.8	-59.1	-175.5	0	0	0	116.5	E381 L436 L440 S444 F445	E381-L448 HydrophobicContact CB-CD2 3.62Å; E381-L448 HydrophobicContact CG-CB 4.47Å; E381-L448 HydrophobicContact CG-CD2 3.87Å; L436-L448 HydrophobicContact CD2-CD1 4.07Å; L440-L448 HydrophobicContact CD1-CD1 3.62Å; L440-L448 HydrophobicContact CD1-CD2 3.71Å; L440-L448 HydrophobicContact CD1-CG 3.88Å; S444-L448 WeakPolarHBondContact O-CG 3.28Å; S444-L448 PolarHBondContact O-N 3.16Å; F445-L448 HydrophobicContact CD2-CD1 4Å; F445-L448 HydrophobicContact CE2-CD1 4.33Å
449	F	59.4	Low	70.3	Confident	25 Å²	25	45.4 Å²	45.4	11%	0.11	21%	0.212	C	C	.	.	T	Hydrogen-bonded Turn	trans	-148.6	24.7	-171.4	-53.7	-86.6	0	0	0	112.7	T384 L385 I422 A423 S447	T384-F449 HydrophobicContact CG2-CE1 4.38Å; T384-F449 HydrophobicContact CG2-CZ 3.72Å; L385-F449 HydrophobicContact CD2-CD1 3.72Å; L385-F449 HydrophobicContact CD2-CE1 3.93Å; L385-F449 HydrophobicContact CG-CE1 4.45Å; I422-F449 HydrophobicContact CG2-CE1 4.4Å; A423-F449 HydrophobicContact CB-CB 3.35Å; A423-F449 HydrophobicContact CB-CD1 4.09Å; A423-F449 HydrophobicContact CB-CD2 3.5Å; A423-F449 HydrophobicContact CB-CE2 4.2Å; A423-F449 HydrophobicContact CB-CG 3.44Å; A423-F449 VanDerWaalsContact CB-CG 3.44Å; S447-F449 PolarHBondContact O-N 2.94Å
450	Q	66.3	Low	72.3	Confident	64 Å²	64	41.5 Å²	41.5	30%	0.299	19%	0.192	S	C	.	.			trans	-64.7	148.5	178.5	-71.1	-176.7	10.4	0	0	111.1	R446 S447 G452 E453 F454	R446-Q450 VanDerWaalsContact O-CG 3.23Å; R446-Q450 WeakPolarHBondContact O-CG 3.47Å; S447-Q450 PolarHBondContact O-N 2.88Å; Q450-G452 PolarHBondContact O-N 3.36Å; Q450-E453 PolarHBondContact O-N 2.74Å; Q450-F454 PolarHBondContact O-N 3.27Å
451	E	82.6	Confident	74.1	Confident	58 Å²	58	40.9 Å²	40.9	27%	0.271	19%	0.19	S	C	.	.	H	α-helix	trans	-49.8	-30	162.1	-79.6	-178.2	-96.9	0	0	112.1	L420 F454 I455 R501 K678	L420-E451 HydrophobicContact CD1-CB 4.41Å; L420-E451 HydrophobicContact CD1-CG 3.94Å; E451-F454 CarbonylContact O-C 3.59Å; E451-F454 PolarHBondContact O-N 3.32Å; E451-I455 HydrophobicContact CB-CD1 4.4Å; E451-I455 WeakPolarHBondContact O-CB 3.28Å; E451-I455 VanDerWaalsContact O-CD1 3.28Å; E451-I455 WeakPolarHBondContact O-CD1 3.44Å; E451-I455 WeakPolarHBondContact O-CG1 3.44Å; E451-I455 PolarHBondContact O-N 3.18Å; E451-R501 IonicContact OE2-CZ 2.61Å; E451-R501 IonicContact OE2-NE 3.16Å; E451-R501 IonicContact OE2-NH2 2.62Å; E451-R501 PolarHBondContact OE2-NH2 3.37Å; E451-K678 HydrophobicContact CB-CD 3.61Å; E451-K678 HydrophobicContact CG-CD 4.37Å; E451-K678 IonicContact OE1-NZ 2.68Å; E451-K678 PolarHBondContact OE1-NZ 2.97Å; E451-K678 IonicContact OE2-NZ 3.17Å; E451-K678 PolarHBondContact OE2-NZ 2.71Å
452	G	87.6	Confident	76	Confident	3 Å²	3	37 Å²	37	3%	0.031	17%	0.169	C	C	.	.	H	α-helix	trans	-55.7	-47	175	0	0	0	0	0	113.7	Q450 I455 T456	Q450-G452 PolarHBondContact O-N 3.36Å; G452-I455 WeakPolarHBondContact O-CB 3.49Å; G452-I455 PolarHBondContact O-N 2.69Å; G452-T456 PolarHBondContact O-N 2.82Å; G452-T456 PolarHBondContact O-OG1 2.9Å
453	E	82.8	Confident	78.2	Confident	35 Å²	35	32.4 Å²	32.4	16%	0.164	15%	0.147	C	C	.	.	H	α-helix	trans	-66.1	-42	176.1	180	169	-133.7	0	0	111.5	L385 Q450 I455 T456 E457 R718	L385-E453 WeakPolarHBondContact CD1-OE2 3.45Å; Q450-E453 PolarHBondContact O-N 2.74Å; E453-I455 PolarHBondContact O-N 2.62Å; E453-T456 PolarHBondContact O-N 3.18Å; E453-E457 HydrophobicContact CG-CB 4.38Å; E453-E457 HydrophobicContact CG-CG 3.68Å; E453-E457 WeakPolarHBondContact O-CB 3.08Å; E453-E457 PolarHBondContact O-N 3.43Å; E453-R718 IonicContact OE1-CZ 3.67Å; E453-R718 IonicContact OE1-NH1 2.7Å; E453-R718 PolarHBondContact OE1-NH1 3.2Å; E453-R718 IonicContact OE1-NH2 3.52Å; E453-R718 PolarHBondContact OE1-NH2 3.09Å
454	F	89.4	Confident	79.9	Confident	7 Å²	7	23.3 Å²	23.3	3%	0.031	11%	0.113	C	C	.	.	I	π-helix	trans	-60.2	-34.7	174.3	-172.4	-78.4	0	0	0	111.5	L420 Q450 E451 I458 M459 A497 R501	L420-F454 HydrophobicContact CB-CD2 3.79Å; L420-F454 HydrophobicContact CB-CE2 4.31Å; L420-F454 HydrophobicContact CB-CG 4.4Å; L420-F454 HydrophobicContact CD1-CB 4.01Å; L420-F454 HydrophobicContact CD1-CG 4.47Å; L420-F454 HydrophobicContact CD2-CB 4.29Å; L420-F454 HydrophobicContact CD2-CD1 4.29Å; L420-F454 HydrophobicContact CD2-CD2 3.97Å; L420-F454 HydrophobicContact CD2-CE2 4.39Å; L420-F454 HydrophobicContact CD2-CG 3.91Å; L420-F454 HydrophobicContact CG-CD2 4.35Å; L420-F454 HydrophobicContact CG-CG 4.5Å; Q450-F454 PolarHBondContact O-N 3.27Å; E451-F454 CarbonylContact O-C 3.59Å; E451-F454 PolarHBondContact O-N 3.32Å; F454-I458 HydrophobicContact CD1-CB 4.46Å; F454-I458 HydrophobicContact CD1-CG2 4.48Å; F454-I458 HydrophobicContact CD2-CB 4.24Å; F454-I458 HydrophobicContact CD2-CD1 3.65Å; F454-I458 HydrophobicContact CD2-CG1 4.48Å; F454-I458 HydrophobicContact CD2-CG2 4.26Å; F454-I458 HydrophobicContact CE1-CB 4.49Å; F454-I458 HydrophobicContact CE1-CG2 4.03Å; F454-I458 HydrophobicContact CE2-CB 4.3Å; F454-I458 HydrophobicContact CE2-CD1 3.86Å; F454-I458 HydrophobicContact CE2-CG2 3.82Å; F454-I458 HydrophobicContact CG-CB 4.33Å; F454-I458 HydrophobicContact CG-CD1 4.41Å; F454-I458 HydrophobicContact CZ-CB 4.42Å; F454-I458 HydrophobicContact CZ-CG2 3.68Å; F454-I458 CarbonylContact O-C 3.44Å; F454-I458 WeakPolarHBondContact O-CA 3.38Å; F454-I458 VanDerWaalsContact O-CB 3.3Å; F454-I458 WeakPolarHBondContact O-CB 3.34Å; F454-I458 PolarHBondContact O-N 2.83Å; F454-M459 PolarHBondContact O-N 3.01Å; F454-A497 HydrophobicContact CE2-CB 4.25Å; F454-A497 HydrophobicContact CZ-CB 4.05Å; F454-R501 VanDerWaalsContact CD1-CD 3.4Å; F454-R501 HydrophobicContact CE1-CB 3.81Å; F454-R501 HydrophobicContact CE1-CG 4.19Å; F454-R501 HydrophobicContact CZ-CB 3.93Å
455	I	93.7	Very high	81.5	Confident	0 Å²	0	21.3 Å²	21.3	0%	0	10%	0.099	C	C	.	.	I	π-helix	trans	-68.4	-50.4	175.3	-72.4	155.5	0	0	0	110.5	E451 G452 E453 M459 Q460 A648 K678	E451-I455 HydrophobicContact CB-CD1 4.4Å; E451-I455 WeakPolarHBondContact O-CB 3.28Å; E451-I455 VanDerWaalsContact O-CD1 3.28Å; E451-I455 WeakPolarHBondContact O-CD1 3.44Å; E451-I455 WeakPolarHBondContact O-CG1 3.44Å; E451-I455 PolarHBondContact O-N 3.18Å; G452-I455 WeakPolarHBondContact O-CB 3.49Å; G452-I455 PolarHBondContact O-N 2.69Å; E453-I455 PolarHBondContact O-N 2.62Å; I455-M459 HydrophobicContact CG2-CE 4.41Å; I455-M459 PolarHBondContact O-N 2.93Å; I455-Q460 HydrophobicContact CG2-CG 4.23Å; I455-Q460 WeakPolarHBondContact O-CB 3.07Å; I455-Q460 VanDerWaalsContact O-CG 3.26Å; I455-Q460 WeakPolarHBondContact O-CG 3.35Å; I455-Q460 PolarHBondContact O-N 3.19Å; I455-A648 HydrophobicContact CD1-CB 3.73Å; I455-A648 HydrophobicContact CG1-CB 3.99Å; I455-A648 HydrophobicContact CG2-CB 4.14Å; I455-K678 HydrophobicContact CD1-CB 3.49Å; I455-K678 VanDerWaalsContact CD1-CB 3.49Å; I455-K678 HydrophobicContact CD1-CD 3.79Å; I455-K678 HydrophobicContact CD1-CG 3.54Å
456	T	92.5	Very high	83.2	Confident	1 Å²	1	20.9 Å²	20.9	1%	0.006	10%	0.097	C	C	.	.	I	π-helix	trans	-74.2	-46.8	-174.9	62.7	0	0	0	0	113.3	G452 E453 T715 R718 V719 R722	G452-T456 PolarHBondContact O-N 2.82Å; G452-T456 PolarHBondContact O-OG1 2.9Å; E453-T456 PolarHBondContact O-N 3.18Å; T456-T715 HydrophobicContact CG2-CG2 4.26Å; T456-R718 HydrophobicContact CG2-CB 4.05Å; T456-V719 HydrophobicContact CG2-CG2 3.57Å; T456-R722 PolarHBondContact O-NH1 2.94Å
457	E	86.5	Confident	84.8	Confident	22 Å²	22	14.1 Å²	14.1	10%	0.103	7%	0.072	C	C	.	.	I	π-helix	trans	-90.1	-27.7	-170.8	-50	-46	134.2	0	0	113.7	E453 A461 K494 R718	E453-E457 HydrophobicContact CG-CB 4.38Å; E453-E457 HydrophobicContact CG-CG 3.68Å; E453-E457 WeakPolarHBondContact O-CB 3.08Å; E453-E457 PolarHBondContact O-N 3.43Å; E457-A461 WeakPolarHBondContact O-CB 3.34Å; E457-K494 WeakPolarHBondContact O-CD 3.21Å; E457-K494 WeakPolarHBondContact O-CE 3.3Å; E457-K494 PolarHBondContact O-NZ 3.44Å; E457-R718 VanDerWaalsContact CD-NH1 3.3Å; E457-R718 VanDerWaalsContact CG-NH1 3.26Å; E457-R718 WeakPolarHBondContact OE1-CD 3.15Å; E457-R718 IonicContact OE1-CZ 3.79Å; E457-R718 IonicContact OE1-NE 3.23Å; E457-R718 IonicContact OE1-NH1 3.54Å; E457-R718 PolarHBondContact OE1-NH1 3.03Å
458	I	91.4	Very high	86.2	Confident	24 Å²	24	12.6 Å²	12.6	12%	0.123	6%	0.061	C	C	.	.	I	π-helix	trans	-106.4	-60.7	-176.7	-64.4	177.3	0	0	0	110.1	F454 A462 K494 A497	F454-I458 HydrophobicContact CD1-CB 4.46Å; F454-I458 HydrophobicContact CD1-CG2 4.48Å; F454-I458 HydrophobicContact CD2-CB 4.24Å; F454-I458 HydrophobicContact CD2-CD1 3.65Å; F454-I458 HydrophobicContact CD2-CG1 4.48Å; F454-I458 HydrophobicContact CD2-CG2 4.26Å; F454-I458 HydrophobicContact CE1-CB 4.49Å; F454-I458 HydrophobicContact CE1-CG2 4.03Å; F454-I458 HydrophobicContact CE2-CB 4.3Å; F454-I458 HydrophobicContact CE2-CD1 3.86Å; F454-I458 HydrophobicContact CE2-CG2 3.82Å; F454-I458 HydrophobicContact CG-CB 4.33Å; F454-I458 HydrophobicContact CG-CD1 4.41Å; F454-I458 HydrophobicContact CZ-CB 4.42Å; F454-I458 HydrophobicContact CZ-CG2 3.68Å; F454-I458 CarbonylContact O-C 3.44Å; F454-I458 WeakPolarHBondContact O-CA 3.38Å; F454-I458 VanDerWaalsContact O-CB 3.3Å; F454-I458 WeakPolarHBondContact O-CB 3.34Å; F454-I458 PolarHBondContact O-N 2.83Å; I458-A462 VanDerWaalsContact O-CB 3.25Å; I458-A462 WeakPolarHBondContact O-CB 3.05Å; I458-A462 PolarHBondContact O-N 2.89Å; I458-K494 HydrophobicContact CB-CG 4.28Å; I458-K494 HydrophobicContact CG1-CG 4.22Å; I458-K494 HydrophobicContact CG2-CB 3.9Å; I458-K494 HydrophobicContact CG2-CG 4Å; I458-K494 WeakPolarHBondContact O-CB 3.21Å; I458-A497 HydrophobicContact CG2-CB 3.97Å
459	M	95.9	Very high	87.5	Confident	1 Å²	1	13.7 Å²	13.7	1%	0.005	7%	0.069	C	C	.	.	I	π-helix	trans	-69.8	-54	-172.7	-166	177.1	83.7	0	0	112.8	F454 I455 A462 L463 A498 A648 Y651 Q682	F454-M459 PolarHBondContact O-N 3.01Å; I455-M459 HydrophobicContact CG2-CE 4.41Å; I455-M459 PolarHBondContact O-N 2.93Å; M459-A462 WeakPolarHBondContact O-CB 3.31Å; M459-A462 PolarHBondContact O-N 2.9Å; M459-L463 HydrophobicContact CE-CD1 4.27Å; M459-L463 HydrophobicContact CG-CD1 4.22Å; M459-L463 WeakPolarHBondContact O-CG 3.45Å; M459-L463 PolarHBondContact O-N 2.92Å; M459-A498 HydrophobicContact CB-CB 4.29Å; M459-A498 HydrophobicContact CG-CB 3.92Å; M459-A648 HydrophobicContact CE-CB 3.97Å; M459-A648 WeakPolarHBondContact CE-O 3.31Å; M459-Y651 HydrophobicContact CG-CD2 4.09Å; M459-Q682 VanDerWaalsContact CE-OE1 3.29Å
460	Q	97.1	Very high	88.5	Confident	0 Å²	0	13.3 Å²	13.3	0%	0	7%	0.069	C	C	.	.	I	π-helix	trans	-70.1	-41.5	-175.9	-69.5	176.3	-7.7	0	0	112.1	I455 A462 L463 E464 A681 D685	I455-Q460 HydrophobicContact CG2-CG 4.23Å; I455-Q460 WeakPolarHBondContact O-CB 3.07Å; I455-Q460 VanDerWaalsContact O-CG 3.26Å; I455-Q460 WeakPolarHBondContact O-CG 3.35Å; I455-Q460 PolarHBondContact O-N 3.19Å; Q460-A462 PolarHBondContact O-N 3.13Å; Q460-L463 CarbonylContact O-C 3.51Å; Q460-L463 WeakPolarHBondContact O-CA 3.3Å; Q460-L463 PolarHBondContact O-N 3.44Å; Q460-E464 WeakPolarHBondContact O-CG 3.42Å; Q460-E464 PolarHBondContact O-N 2.92Å; Q460-A681 PolarHBondContact NE2-O 3.45Å; Q460-A681 VanDerWaalsContact NE2-O 3.16Å; Q460-D685 HydrophobicContact CG-CB 4.26Å; Q460-D685 WeakPolarHBondContact CG-OD2 3.47Å
461	A	93	Very high	89.4	Confident	7 Å²	7	10.6 Å²	10.6	6%	0.058	6%	0.057	C	C	.	.	H	α-helix	trans	-58.2	-31.6	171.9	0	0	0	0	0	113.1	E457 W465 K494	E457-A461 WeakPolarHBondContact O-CB 3.34Å; A461-W465 PolarHBondContact O-N 3.23Å; A461-W465 VanDerWaalsContact O-N 3.15Å; A461-K494 HydrophobicContact CB-CD 4.44Å
462	A	95	Very high	89.4	Confident	0 Å²	0	10 Å²	10	0%	0	6%	0.057	C	C	.	.	H	α-helix	trans	-76.3	-36.6	170.9	0	0	0	0	0	112.8	I458 M459 Q460 E464 W465 D466 K494 K495 Y651	I458-A462 VanDerWaalsContact O-CB 3.25Å; I458-A462 WeakPolarHBondContact O-CB 3.05Å; I458-A462 PolarHBondContact O-N 2.89Å; M459-A462 WeakPolarHBondContact O-CB 3.31Å; M459-A462 PolarHBondContact O-N 2.9Å; Q460-A462 PolarHBondContact O-N 3.13Å; A462-E464 VanDerWaalsContact C-N 3.27Å; A462-E464 PolarHBondContact O-N 3.04Å; A462-W465 PolarHBondContact O-N 2.94Å; A462-D466 WeakPolarHBondContact O-CB 3.41Å; A462-D466 PolarHBondContact O-N 2.78Å; A462-K494 HydrophobicContact CB-CB 3.91Å; A462-K495 HydrophobicContact CB-CB 4.2Å; A462-Y651 HydrophobicContact CB-CE2 3.91Å; A462-Y651 PolarHBondContact O-OH 3.36Å
463	L	96	Very high	89.4	Confident	0 Å²	0	11.4 Å²	11.4	0%	0	7%	0.066	C	C	.	.	H	α-helix	trans	-67.4	-26	172.8	-66.9	168.6	0	0	0	112.6	M459 Q460 A467 Y571 Y651 R653	M459-L463 HydrophobicContact CE-CD1 4.27Å; M459-L463 HydrophobicContact CG-CD1 4.22Å; M459-L463 WeakPolarHBondContact O-CG 3.45Å; M459-L463 PolarHBondContact O-N 2.92Å; Q460-L463 CarbonylContact O-C 3.51Å; Q460-L463 WeakPolarHBondContact O-CA 3.3Å; Q460-L463 PolarHBondContact O-N 3.44Å; L463-A467 WeakPolarHBondContact O-CB 3.39Å; L463-A467 PolarHBondContact O-N 2.99Å; L463-Y571 HydrophobicContact CB-CE1 4.15Å; L463-Y571 HydrophobicContact CD2-CD1 3.78Å; L463-Y571 HydrophobicContact CD2-CD2 3.59Å; L463-Y571 HydrophobicContact CD2-CE1 3.8Å; L463-Y571 HydrophobicContact CD2-CE2 3.59Å; L463-Y571 HydrophobicContact CD2-CG 3.67Å; L463-Y571 WeakPolarHBondContact O-CE1 3.48Å; L463-Y571 PolarHBondContact O-OH 3.46Å; L463-Y651 HydrophobicContact CD2-CD1 4.39Å; L463-Y651 HydrophobicContact CD2-CD2 3.66Å; L463-Y651 HydrophobicContact CD2-CE1 4.26Å; L463-Y651 HydrophobicContact CD2-CE2 3.53Å; L463-Y651 HydrophobicContact CD2-CG 4.11Å; L463-Y651 HydrophobicContact CG-CD2 4.02Å; L463-Y651 HydrophobicContact CG-CE2 3.75Å; L463-R653 HydrophobicContact CD1-CG 4.23Å; L463-R653 PolarHBondContact O-NH1 3Å; L463-R653 VanDerWaalsContact O-NH1 3.1Å
464	E	92.2	Very high	89.7	Confident	9 Å²	9	9.7 Å²	9.7	4%	0.042	6%	0.058	C	C	.	.	H	α-helix	trans	-70.5	-57.7	168.6	-68.4	164.8	157.3	0	0	109.3	S7 Q460 A462 D466 A467 L468 R722	S7-E464 WeakPolarHBondContact CB-OE2 3.38Å; Q460-E464 WeakPolarHBondContact O-CG 3.42Å; Q460-E464 PolarHBondContact O-N 2.92Å; A462-E464 VanDerWaalsContact C-N 3.27Å; A462-E464 PolarHBondContact O-N 3.04Å; E464-D466 VanDerWaalsContact C-N 3.26Å; E464-D466 PolarHBondContact O-N 3.02Å; E464-D466 VanDerWaalsContact O-N 3.15Å; E464-A467 WeakPolarHBondContact O-CB 3.35Å; E464-A467 PolarHBondContact O-N 3.38Å; E464-L468 WeakPolarHBondContact O-CD2 3.14Å; E464-L468 WeakPolarHBondContact O-CG 3.4Å; E464-R722 IonicContact OE1-CZ 3.95Å; E464-R722 IonicContact OE1-NE 3.07Å; E464-R722 PolarHBondContact OE1-NE 3.29Å; E464-R722 IonicContact OE1-NH2 2.63Å; E464-R722 PolarHBondContact OE1-NH2 3.14Å; E464-R722 IonicContact OE2-CZ 2.87Å; E464-R722 IonicContact OE2-NE 2.69Å; E464-R722 PolarHBondContact OE2-NE 2.92Å
465	W	88.9	Confident	89.4	Confident	4 Å²	4	10.2 Å²	10.2	2%	0.015	6%	0.062	C	C	.	.	H	α-helix	trans	-65	-18.9	-179.9	173.3	81.8	0	0	0	115.6	A461 A462 L468 S471 V472 Q491 Q492 K495	A461-W465 PolarHBondContact O-N 3.23Å; A461-W465 VanDerWaalsContact O-N 3.15Å; A462-W465 PolarHBondContact O-N 2.94Å; W465-L468 HydrophobicContact CB-CD1 4.41Å; W465-L468 HydrophobicContact CG-CD1 4.32Å; W465-L468 WeakPolarHBondContact O-CD1 3.46Å; W465-L468 WeakPolarHBondContact O-CG 3.41Å; W465-S471 WeakPolarHBondContact O-CB 3.33Å; W465-V472 HydrophobicContact CH2-CG2 4Å; W465-V472 HydrophobicContact CZ2-CG2 4.13Å; W465-Q491 HydrophobicContact CB-CB 3.69Å; W465-Q491 HydrophobicContact CB-CG 3.88Å; W465-Q491 HydrophobicContact CD2-CB 3.41Å; W465-Q491 VanDerWaalsContact CD2-CB 3.41Å; W465-Q491 HydrophobicContact CD2-CG 4.34Å; W465-Q491 HydrophobicContact CE3-CB 3.81Å; W465-Q491 HydrophobicContact CG-CB 3.31Å; W465-Q491 HydrophobicContact CG-CG 3.74Å; W465-Q492 HydrophobicContact CH2-CB 3.95Å; W465-Q492 HydrophobicContact CH2-CG 4.33Å; W465-Q492 HydrophobicContact CZ3-CB 4.34Å; W465-K495 HydrophobicContact CZ3-CB 4.44Å; W465-K495 HydrophobicContact CZ3-CD 4.3Å
466	D	91.6	Very high	88.4	Confident	0 Å²	0	10.6 Å²	10.6	0%	0	7%	0.066	C	C	.	.	H	α-helix	trans	-99.9	-9.5	-179.6	-163.6	47.1	0	0	0	112.5	A462 E464 L468 S471 K495 T570 Y571 Y651	A462-D466 WeakPolarHBondContact O-CB 3.41Å; A462-D466 PolarHBondContact O-N 2.78Å; E464-D466 VanDerWaalsContact C-N 3.26Å; E464-D466 PolarHBondContact O-N 3.02Å; E464-D466 VanDerWaalsContact O-N 3.15Å; D466-L468 PolarHBondContact O-N 3.07Å; D466-L468 VanDerWaalsContact O-N 3.13Å; D466-S471 PolarHBondContact O-OG 3.27Å; D466-S471 PolarHBondContact OD1-OG 3.43Å; D466-K495 HydrophobicContact CB-CD 4.38Å; D466-K495 IonicContact OD1-NZ 2.74Å; D466-K495 PolarHBondContact OD1-NZ 2.77Å; D466-K495 WeakPolarHBondContact OD2-CD 3.17Å; D466-K495 VanDerWaalsContact OD2-CE 3.29Å; D466-K495 WeakPolarHBondContact OD2-CE 3.47Å; D466-K495 IonicContact OD2-NZ 2.64Å; D466-K495 PolarHBondContact OD2-NZ 3.14Å; D466-T570 VanDerWaalsContact CG-CA 3.5Å; D466-T570 WeakPolarHBondContact O-CA 3.3Å; D466-T570 WeakPolarHBondContact O-CB 3.45Å; D466-T570 WeakPolarHBondContact OD1-CA 3.04Å; D466-T570 PolarHBondContact OD1-N 2.83Å; D466-T570 VanDerWaalsContact OD2-C 3.25Å; D466-T570 WeakPolarHBondContact OD2-CA 3.21Å; D466-Y571 HydrophobicContact CB-CD1 3.93Å; D466-Y571 HydrophobicContact CB-CE1 4.25Å; D466-Y651 WeakPolarHBondContact CB-OH 3.44Å; D466-Y651 WeakPolarHBondContact OD2-CE1 3.36Å; D466-Y651 PolarHBondContact OD2-OH 3.49Å
467	A	89.6	Confident	87.2	Confident	1 Å²	1	16.8 Å²	16.8	1%	0.008	10%	0.099	C	C	.	.	S	Bend	trans	-68.8	-6.1	170.2	0	0	0	0	0	113	L463 E464 Y571 V592 L594	L463-A467 WeakPolarHBondContact O-CB 3.39Å; L463-A467 PolarHBondContact O-N 2.99Å; E464-A467 WeakPolarHBondContact O-CB 3.35Å; E464-A467 PolarHBondContact O-N 3.38Å; A467-Y571 HydrophobicContact CB-CE1 4.14Å; A467-V592 HydrophobicContact CB-CG1 3.56Å; A467-L594 HydrophobicContact CB-CD1 4.05Å; A467-L594 HydrophobicContact CB-CD2 4.01Å; A467-L594 HydrophobicContact CB-CG 3.86Å
468	L	84.4	Confident	86.2	Confident	1 Å²	1	16 Å²	16	1%	0.005	10%	0.096	C	C	.	.	S	Bend	trans	-91.5	133.8	-168.4	-46.6	-176.6	0	0	0	110.9	I8 D9 V10 E464 W465 D466 S470 S471 L594	I8-L468 WeakPolarHBondContact O-CD1 3.24Å; D9-L468 HydrophobicContact CB-CD2 4.07Å; V10-L468 HydrophobicContact CB-CB 3.83Å; V10-L468 HydrophobicContact CB-CD1 3.43Å; V10-L468 VanDerWaalsContact CB-CD1 3.43Å; V10-L468 HydrophobicContact CB-CD2 3.86Å; V10-L468 HydrophobicContact CB-CG 3.84Å; V10-L468 HydrophobicContact CG1-CB 4.02Å; V10-L468 HydrophobicContact CG1-CD1 4.16Å; V10-L468 HydrophobicContact CG2-CD1 3.25Å; V10-L468 HydrophobicContact CG2-CD2 4.45Å; V10-L468 HydrophobicContact CG2-CG 4.22Å; E464-L468 WeakPolarHBondContact O-CD2 3.14Å; E464-L468 WeakPolarHBondContact O-CG 3.4Å; W465-L468 HydrophobicContact CB-CD1 4.41Å; W465-L468 HydrophobicContact CG-CD1 4.32Å; W465-L468 WeakPolarHBondContact O-CD1 3.46Å; W465-L468 WeakPolarHBondContact O-CG 3.41Å; D466-L468 PolarHBondContact O-N 3.07Å; D466-L468 VanDerWaalsContact O-N 3.13Å; L468-S470 PolarHBondContact O-N 2.72Å; L468-S471 WeakPolarHBondContact O-CB 3.35Å; L468-S471 PolarHBondContact O-N 2.98Å; L468-S471 PolarHBondContact O-OG 3Å; L468-L594 HydrophobicContact CD2-CD1 3.55Å
469	P	82	Confident	84.8	Confident	26 Å²	26	20 Å²	20	17%	0.169	11%	0.112	C	C	.	.	T	Hydrogen-bonded Turn	trans	-70.6	-12.9	172.8	-29.9	44.5	0	0	0	115.2	L11 S471 F600	L11-P469 HydrophobicContact CD1-CG 3.85Å; L11-P469 HydrophobicContact CD2-CB 3.8Å; L11-P469 HydrophobicContact CD2-CG 3.59Å; L11-P469 HydrophobicContact CG-CB 4.45Å; L11-P469 HydrophobicContact CG-CG 3.77Å; P469-S471 VanDerWaalsContact C-N 3.32Å; P469-F600 HydrophobicContact CB-CE2 3.9Å; P469-F600 HydrophobicContact CB-CZ 3.95Å
470	S	80.7	Confident	83.1	Confident	17 Å²	17	20.6 Å²	20.6	12%	0.119	12%	0.116	C	C	.	.	T	Hydrogen-bonded Turn	trans	-86.1	0.7	163.7	118.8	0	0	0	0	113.3	V10 L468 Q917	V10-S470 WeakPolarHBondContact CG1-OG 3.43Å; L468-S470 PolarHBondContact O-N 2.72Å; S470-Q917 PolarHBondContact OG-NE2 3.47Å
471	S	84	Confident	81.2	Confident	7 Å²	7	21 Å²	21	5%	0.049	12%	0.119	C	C	.	.			trans	-66	156.6	170	71.6	0	0	0	0	110.5	W465 D466 L468 P469 P569	W465-S471 WeakPolarHBondContact O-CB 3.33Å; D466-S471 PolarHBondContact O-OG 3.27Å; D466-S471 PolarHBondContact OD1-OG 3.43Å; L468-S471 WeakPolarHBondContact O-CB 3.35Å; L468-S471 PolarHBondContact O-N 2.98Å; L468-S471 PolarHBondContact O-OG 3Å; P469-S471 VanDerWaalsContact C-N 3.32Å; S471-P569 WeakPolarHBondContact O-CB 3.12Å; S471-P569 WeakPolarHBondContact OG-CB 3.36Å
472	V	82.7	Confident	79.5	Confident	46 Å²	46	22.7 Å²	22.7	28%	0.279	13%	0.13	S	C	.	.			trans	-128.4	147.1	-171.4	-72.1	0	0	0	0	111.6	W465	W465-V472 HydrophobicContact CH2-CG2 4Å; W465-V472 HydrophobicContact CZ2-CG2 4.13Å
473	P	87.6	Confident	77.6	Confident	31 Å²	31	24.9 Å²	24.9	20%	0.201	14%	0.14	C	C	.	.			trans	-53.3	148.8	169.6	-17.3	24.4	0	0	0	111.8	S475 G476 Q492	P473-S475 VanDerWaalsContact C-N 3.32Å; P473-S475 PolarHBondContact O-N 2.99Å; P473-G476 PolarHBondContact O-N 2.58Å; P473-G476 VanDerWaalsContact O-N 3.13Å; P473-Q492 PolarHBondContact O-NE2 2.82Å; P473-Q492 VanDerWaalsContact O-NE2 3.13Å
474	L	88.8	Confident	75.6	Confident	0 Å²	0	24.9 Å²	24.9	0%	0	14%	0.14	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59.2	-45.7	169.4	-64.7	179.2	0	0	0	110.3	W409 G476 Q492 K495 I499 F566	W409-L474 HydrophobicContact CD2-CB 4.02Å; W409-L474 HydrophobicContact CD2-CD2 4.42Å; W409-L474 HydrophobicContact CE3-CD1 4.26Å; W409-L474 HydrophobicContact CG-CB 4.31Å; W409-L474 HydrophobicContact CH2-CD1 4.41Å; W409-L474 HydrophobicContact CZ2-CB 4.19Å; W409-L474 HydrophobicContact CZ3-CD1 4.23Å; W409-L474 PolarHBondContact NE1-O 3.34Å; W409-L474 VanDerWaalsContact NE1-O 3.13Å; L474-G476 PolarHBondContact O-N 3.14Å; L474-Q492 HydrophobicContact CD2-CG 3.5Å; L474-Q492 WeakPolarHBondContact CD2-O 3.23Å; L474-K495 HydrophobicContact CD1-CG 4.35Å; L474-K495 HydrophobicContact CD2-CB 4.27Å; L474-K495 HydrophobicContact CD2-CD 4.23Å; L474-K495 HydrophobicContact CD2-CG 4Å; L474-K495 HydrophobicContact CG-CD 4.37Å; L474-K495 HydrophobicContact CG-CG 4.29Å; L474-I499 HydrophobicContact CD1-CD1 3.79Å; L474-F566 HydrophobicContact CB-CD1 4.34Å; L474-F566 HydrophobicContact CD1-CD1 3.57Å; L474-F566 HydrophobicContact CD1-CE1 4.02Å; L474-F566 PolarHBondContact N-O 2.84Å; L474-F566 VanDerWaalsContact N-O 3.09Å
475	S	83	Confident	73.8	Confident	17 Å²	17	26 Å²	26	12%	0.119	15%	0.147	C	C	.	.	T	Hydrogen-bonded Turn	trans	-79.8	11.4	177.3	65.9	0	0	0	0	114.9	N406 P473 H530 F566 D567	N406-S475 PolarHBondContact ND2-O 3.13Å; P473-S475 VanDerWaalsContact C-N 3.32Å; P473-S475 PolarHBondContact O-N 2.99Å; S475-H530 VanDerWaalsContact CB-CE1 3.44Å; S475-H530 WeakPolarHBondContact CB-CE1 3.44Å; S475-H530 WeakPolarHBondContact CB-ND1 3.38Å; S475-F566 PolarHBondContact N-O 2.76Å; S475-F566 PolarHBondContact OG-O 3.15Å; S475-D567 WeakPolarHBondContact OG-CA 3.34Å; S475-D567 PolarHBondContact OG-OD1 3.21Å
476	G	74.3	Confident	72	Confident	9 Å²	9	30.8 Å²	30.8	9%	0.093	16%	0.164	C	C	.	.			trans	-55.5	140.9	-166.5	0	0	0	0	0	115.4	N406 P473 L474 V478	N406-G476 WeakPolarHBondContact CB-O 3.45Å; P473-G476 PolarHBondContact O-N 2.58Å; P473-G476 VanDerWaalsContact O-N 3.13Å; L474-G476 PolarHBondContact O-N 3.14Å; G476-V478 PolarHBondContact O-N 2.91Å
477	N	67.6	Low	70.3	Confident	131 Å²	131	31.5 Å²	31.5	70%	0.701	17%	0.168	S	C	*	.			trans	-70.6	94.5	-166.1	-171.4	9.3	0	0	0	114.3
478	V	63.6	Low	69.1	Low	4 Å²	4	32.5 Å²	32.5	2%	0.024	17%	0.172	C	C	.	.			trans	-80.9	116	171.6	-179.2	0	0	0	0	110.7	W404 W405 N406 G476 V480 E483 A484 N487	W404-V478 PolarHBondContact NE1-O 3.47Å; W405-V478 HydrophobicContact CB-CB 4.34Å; W405-V478 HydrophobicContact CB-CG1 3.97Å; W405-V478 HydrophobicContact CB-CG2 4.45Å; N406-V478 HydrophobicContact CB-CB 4.39Å; N406-V478 HydrophobicContact CB-CG2 4.13Å; G476-V478 PolarHBondContact O-N 2.91Å; V478-V480 WeakPolarHBondContact CG1-O 3.38Å; V478-E483 HydrophobicContact CG1-CB 4.45Å; V478-A484 HydrophobicContact CG1-CB 3.64Å; V478-N487 HydrophobicContact CG2-CB 4.23Å; V478-N487 VanDerWaalsContact CG2-ND2 3.35Å; V478-N487 WeakPolarHBondContact CG2-ND2 3.45Å
479	K	63	Low	68.5	Low	109 Å²	109	33.1 Å²	33.1	47%	0.474	18%	0.177	S	C	.	.			trans	-88.2	-59.8	175.5	-58	-179	179.5	178.1	0	112	Y104 E483	Y104-K479 HydrophobicContact CD2-CB 3.97Å; K479-E483 WeakPolarHBondContact CB-OE2 3.47Å; K479-E483 PolarHBondContact N-OE2 3.18Å
480	V	60.8	Low	68.5	Low	13 Å²	13	33.3 Å²	33.3	8%	0.079	18%	0.178	C	C	.	.	S	Bend	trans	-104.8	155.5	179.4	-69.3	0	0	0	0	113.5	Y104 V478 S482 E483 A484	Y104-V480 VanDerWaalsContact CB-CG1 3.48Å; Y104-V480 HydrophobicContact CD1-CG1 3.19Å; Y104-V480 HydrophobicContact CD2-CG1 3.76Å; Y104-V480 HydrophobicContact CE1-CG1 3.65Å; Y104-V480 HydrophobicContact CE2-CG1 4.16Å; Y104-V480 HydrophobicContact CG-CG1 3.22Å; V478-V480 WeakPolarHBondContact CG1-O 3.38Å; V480-S482 WeakPolarHBondContact CG2-OG 3.45Å; V480-S482 PolarHBondContact O-N 2.71Å; V480-E483 HydrophobicContact CG2-CB 4.05Å; V480-E483 HydrophobicContact CG2-CG 3.49Å; V480-E483 VanDerWaalsContact CG2-CG 3.49Å; V480-E483 PolarHBondContact N-OE2 2.98Å; V480-E483 WeakPolarHBondContact O-CB 3.47Å; V480-E483 PolarHBondContact O-N 3.22Å; V480-A484 PolarHBondContact O-N 2.82Å; V480-A484 VanDerWaalsContact O-N 3.07Å
481	P	56.9	Low	68.6	Low	9 Å²	9	33 Å²	33	6%	0.058	18%	0.175	C	C	.	.	H	α-helix	trans	-57.1	-29.7	173.8	-26.9	36.5	0	0	0	114.9	A248 E483 A484 L485	A248-P481 HydrophobicContact CB-CB 4.07Å; P481-E483 VanDerWaalsContact C-N 3.31Å; P481-E483 PolarHBondContact O-N 2.86Å; P481-A484 WeakPolarHBondContact O-CB 3.31Å; P481-A484 PolarHBondContact O-N 3.27Å; P481-L485 PolarHBondContact O-N 2.95Å
482	S	57.2	Low	68.6	Low	42 Å²	42	32.8 Å²	32.8	29%	0.294	17%	0.173	S	C	.	.	H	α-helix	trans	-71.5	-22.9	174.4	42.2	0	0	0	0	113.4	S190 V480	S190-S482 PolarHBondContact O-OG 3.22Å; V480-S482 WeakPolarHBondContact CG2-OG 3.45Å; V480-S482 PolarHBondContact O-N 2.71Å
483	E	54.3	Low	68.9	Low	47 Å²	47	32 Å²	32	22%	0.22	17%	0.166	C	C	.	.	H	α-helix	trans	-82.7	-28.8	167.8	-66.8	-174	122.9	0	0	112.1	V478 K479 V480 P481 L485 R486	V478-E483 HydrophobicContact CG1-CB 4.45Å; K479-E483 WeakPolarHBondContact CB-OE2 3.47Å; K479-E483 PolarHBondContact N-OE2 3.18Å; V480-E483 HydrophobicContact CG2-CB 4.05Å; V480-E483 HydrophobicContact CG2-CG 3.49Å; V480-E483 VanDerWaalsContact CG2-CG 3.49Å; V480-E483 PolarHBondContact N-OE2 2.98Å; V480-E483 WeakPolarHBondContact O-CB 3.47Å; V480-E483 PolarHBondContact O-N 3.22Å; P481-E483 VanDerWaalsContact C-N 3.31Å; P481-E483 PolarHBondContact O-N 2.86Å; E483-L485 PolarHBondContact O-N 3.45Å; E483-R486 VanDerWaalsContact CD-NH2 3.26Å; E483-R486 VanDerWaalsContact CG-CZ 3.5Å; E483-R486 VanDerWaalsContact CG-NH2 3.31Å; E483-R486 VanDerWaalsContact O-CB 3.3Å; E483-R486 WeakPolarHBondContact O-CB 3.44Å; E483-R486 PolarHBondContact O-N 3.04Å; E483-R486 IonicContact OE1-CZ 3.78Å; E483-R486 IonicContact OE1-NH1 2.69Å; E483-R486 PolarHBondContact OE1-NH1 2.97Å; E483-R486 IonicContact OE1-NH2 2.88Å; E483-R486 PolarHBondContact OE1-NH2 3.21Å
484	A	55.4	Low	69.1	Low	0 Å²	0	32.1 Å²	32.1	0%	0	16%	0.163	C	C	.	.	H	α-helix	trans	-55.2	-43.7	177.2	0	0	0	0	0	111.1	W405 V478 V480 P481 R486 N487 F488	W405-A484 HydrophobicContact CB-CB 3.66Å; W405-A484 HydrophobicContact CG-CB 3.72Å; V478-A484 HydrophobicContact CG1-CB 3.64Å; V480-A484 PolarHBondContact O-N 2.82Å; V480-A484 VanDerWaalsContact O-N 3.07Å; P481-A484 WeakPolarHBondContact O-CB 3.31Å; P481-A484 PolarHBondContact O-N 3.27Å; A484-R486 PolarHBondContact O-N 3.06Å; A484-R486 VanDerWaalsContact O-N 3.1Å; A484-N487 PolarHBondContact O-N 3.1Å; A484-F488 HydrophobicContact CB-CE1 4.37Å; A484-F488 HydrophobicContact CB-CE2 3.56Å; A484-F488 HydrophobicContact CB-CZ 3.45Å; A484-F488 VanDerWaalsContact CB-CZ 3.45Å; A484-F488 WeakPolarHBondContact O-CD1 2.95Å; A484-F488 WeakPolarHBondContact O-CD2 3.47Å; A484-F488 WeakPolarHBondContact O-CE1 3.45Å; A484-F488 VanDerWaalsContact O-CE2 3.26Å; A484-F488 WeakPolarHBondContact O-CE2 3.25Å; A484-F488 WeakPolarHBondContact O-CG 3.47Å; A484-F488 WeakPolarHBondContact O-CZ 3.36Å; A484-F488 PolarHBondContact O-N 3.41Å
485	L	53.1	Low	69.4	Low	33 Å²	33	32.2 Å²	32.2	17%	0.173	16%	0.163	C	C	.	.	H	α-helix	trans	-52.7	-29.6	174.1	-62.5	174.7	0	0	0	113.5	W252 P481 E483 F488 D878	W252-L485 HydrophobicContact CH2-CD1 4.45Å; P481-L485 PolarHBondContact O-N 2.95Å; E483-L485 PolarHBondContact O-N 3.45Å; L485-F488 HydrophobicContact CD2-CD2 4.1Å; L485-F488 HydrophobicContact CD2-CE2 4.37Å; L485-F488 PolarHBondContact O-N 3.42Å; L485-D878 HydrophobicContact CD1-CB 4.38Å
486	R	52.6	Low	69.9	Low	103 Å²	103	31.4 Å²	31.4	39%	0.389	16%	0.157	S	C	.	.	H	α-helix	trans	-74.4	-34.6	176.2	-50.7	-173.8	-53.5	-140.7	0.2	112.6	E483 A484 F488 Q917	E483-R486 VanDerWaalsContact CD-NH2 3.26Å; E483-R486 VanDerWaalsContact CG-CZ 3.5Å; E483-R486 VanDerWaalsContact CG-NH2 3.31Å; E483-R486 VanDerWaalsContact O-CB 3.3Å; E483-R486 WeakPolarHBondContact O-CB 3.44Å; E483-R486 PolarHBondContact O-N 3.04Å; E483-R486 IonicContact OE1-CZ 3.78Å; E483-R486 IonicContact OE1-NH1 2.69Å; E483-R486 PolarHBondContact OE1-NH1 2.97Å; E483-R486 IonicContact OE1-NH2 2.88Å; E483-R486 PolarHBondContact OE1-NH2 3.21Å; A484-R486 PolarHBondContact O-N 3.06Å; A484-R486 VanDerWaalsContact O-N 3.1Å; R486-F488 PolarHBondContact O-N 3.35Å; R486-Q917 HydrophobicContact CB-CB 4.36Å; R486-Q917 HydrophobicContact CG-CB 4.35Å
487	N	55	Low	70.9	Confident	15 Å²	15	31 Å²	31	8%	0.08	15%	0.153	C	C	.	.	H	α-helix	trans	-72.2	-19.7	175.6	-76.3	40.1	0	0	0	111.8	V478 A484 S489 Q492	V478-N487 HydrophobicContact CG2-CB 4.23Å; V478-N487 VanDerWaalsContact CG2-ND2 3.35Å; V478-N487 WeakPolarHBondContact CG2-ND2 3.45Å; A484-N487 PolarHBondContact O-N 3.1Å; N487-S489 PolarHBondContact O-N 3.2Å; N487-Q492 PolarHBondContact O-OE1 2.95Å; N487-Q492 VanDerWaalsContact O-OE1 3.04Å
488	F	64.7	Low	72.3	Confident	22 Å²	22	24.8 Å²	24.8	10%	0.096	12%	0.12	C	C	.	.	T	Hydrogen-bonded Turn	trans	-79.6	26.1	-176.2	-56.2	-24.6	0	0	0	114.5	P247 W405 Y408 A484 L485 R486 Y493	P247-F488 HydrophobicContact CB-CD2 3.74Å; P247-F488 HydrophobicContact CB-CE1 4.32Å; P247-F488 HydrophobicContact CB-CE2 3.02Å; P247-F488 HydrophobicContact CB-CZ 3.34Å; P247-F488 HydrophobicContact CG-CD1 4.47Å; P247-F488 HydrophobicContact CG-CD2 3.81Å; P247-F488 HydrophobicContact CG-CE1 4.16Å; P247-F488 HydrophobicContact CG-CE2 3.51Å; P247-F488 HydrophobicContact CG-CG 4.32Å; P247-F488 HydrophobicContact CG-CZ 3.64Å; W405-F488 HydrophobicContact CB-CE1 4.38Å; W405-F488 HydrophobicContact CB-CZ 3.94Å; W405-F488 HydrophobicContact CD2-CZ 4.17Å; W405-F488 AromaticContact CE3-CZ 3.94Å; W405-F488 HydrophobicContact CE3-CZ 3.94Å; W405-F488 HydrophobicContact CG-CZ 4.18Å; Y408-F488 AromaticContact CD1-CD1 3.5Å; Y408-F488 HydrophobicContact CD1-CD1 3.5Å; Y408-F488 VanDerWaalsContact CD1-CD1 3.5Å; Y408-F488 AromaticContact CD1-CE1 3.64Å; Y408-F488 HydrophobicContact CD1-CE1 3.64Å; Y408-F488 HydrophobicContact CD1-CG 4.17Å; Y408-F488 HydrophobicContact CD1-CZ 4.4Å; Y408-F488 HydrophobicContact CE1-CD1 4.3Å; Y408-F488 HydrophobicContact CG-CD1 4.18Å; Y408-F488 AromaticContact CG-CE1 3.83Å; Y408-F488 HydrophobicContact CG-CE1 3.83Å; Y408-F488 HydrophobicContact CG-CZ 4.44Å; A484-F488 HydrophobicContact CB-CE1 4.37Å; A484-F488 HydrophobicContact CB-CE2 3.56Å; A484-F488 HydrophobicContact CB-CZ 3.45Å; A484-F488 VanDerWaalsContact CB-CZ 3.45Å; A484-F488 WeakPolarHBondContact O-CD1 2.95Å; A484-F488 WeakPolarHBondContact O-CD2 3.47Å; A484-F488 WeakPolarHBondContact O-CE1 3.45Å; A484-F488 VanDerWaalsContact O-CE2 3.26Å; A484-F488 WeakPolarHBondContact O-CE2 3.25Å; A484-F488 WeakPolarHBondContact O-CG 3.47Å; A484-F488 WeakPolarHBondContact O-CZ 3.36Å; A484-F488 PolarHBondContact O-N 3.41Å; L485-F488 HydrophobicContact CD2-CD2 4.1Å; L485-F488 HydrophobicContact CD2-CE2 4.37Å; L485-F488 PolarHBondContact O-N 3.42Å; R486-F488 PolarHBondContact O-N 3.35Å; F488-Y493 WeakPolarHBondContact CA-OH 3.34Å; F488-Y493 WeakPolarHBondContact CB-OH 3.43Å; F488-Y493 PolarHBondContact O-OH 3.04Å
489	S	72.3	Confident	73.9	Confident	15 Å²	15	24.6 Å²	24.6	11%	0.105	12%	0.119	C	C	.	.			trans	-64	132.4	173.8	173.9	0	0	0	0	111.3	N487 Q491 Q492 Y493	N487-S489 PolarHBondContact O-N 3.2Å; S489-Q491 PolarHBondContact O-N 3.43Å; S489-Q491 VanDerWaalsContact O-N 3.1Å; S489-Q491 PolarHBondContact OG-N 3.5Å; S489-Q492 WeakPolarHBondContact O-CB 3.45Å; S489-Q492 PolarHBondContact O-N 3.26Å; S489-Y493 PolarHBondContact O-N 3.47Å
490	P	80.2	Confident	75.4	Confident	30 Å²	30	19.8 Å²	19.8	20%	0.195	10%	0.098	C	C	.	.	H	α-helix	trans	-53.2	-29.8	171.6	-27.8	35.4	0	0	0	114.2	Y493 K494 V880	P490-Y493 PolarHBondContact O-N 2.89Å; P490-K494 WeakPolarHBondContact O-CG 3.5Å; P490-K494 PolarHBondContact O-N 2.9Å; P490-K494 VanDerWaalsContact O-N 3.14Å; P490-V880 HydrophobicContact CG-CG1 3.84Å
491	Q	84	Confident	77.1	Confident	9 Å²	9	19.2 Å²	19.2	4%	0.042	10%	0.095	C	C	.	.	H	α-helix	trans	-72	-31.5	178.7	-52.3	-66.3	22.9	0	0	112.1	P6 I8 W465 S489 Y493 K494 K495	P6-Q491 PolarHBondContact O-NE2 2.96Å; I8-Q491 HydrophobicContact CD1-CG 4.36Å; W465-Q491 HydrophobicContact CB-CB 3.69Å; W465-Q491 HydrophobicContact CB-CG 3.88Å; W465-Q491 HydrophobicContact CD2-CB 3.41Å; W465-Q491 VanDerWaalsContact CD2-CB 3.41Å; W465-Q491 HydrophobicContact CD2-CG 4.34Å; W465-Q491 HydrophobicContact CE3-CB 3.81Å; W465-Q491 HydrophobicContact CG-CB 3.31Å; W465-Q491 HydrophobicContact CG-CG 3.74Å; S489-Q491 PolarHBondContact O-N 3.43Å; S489-Q491 VanDerWaalsContact O-N 3.1Å; S489-Q491 PolarHBondContact OG-N 3.5Å; Q491-Y493 VanDerWaalsContact C-N 3.32Å; Q491-Y493 PolarHBondContact O-N 2.9Å; Q491-K494 PolarHBondContact O-N 3.18Å; Q491-K495 PolarHBondContact O-N 2.95Å
492	Q	84.7	Confident	78.9	Confident	4 Å²	4	18.8 Å²	18.8	2%	0.019	9%	0.092	C	C	.	.	H	α-helix	trans	-63.8	-40	172.5	-169.7	179.8	81.1	0	0	110.9	W465 P473 L474 N487 S489 K494 K495 G496	W465-Q492 HydrophobicContact CH2-CB 3.95Å; W465-Q492 HydrophobicContact CH2-CG 4.33Å; W465-Q492 HydrophobicContact CZ3-CB 4.34Å; P473-Q492 PolarHBondContact O-NE2 2.82Å; P473-Q492 VanDerWaalsContact O-NE2 3.13Å; L474-Q492 HydrophobicContact CD2-CG 3.5Å; L474-Q492 WeakPolarHBondContact CD2-O 3.23Å; N487-Q492 PolarHBondContact O-OE1 2.95Å; N487-Q492 VanDerWaalsContact O-OE1 3.04Å; S489-Q492 WeakPolarHBondContact O-CB 3.45Å; S489-Q492 PolarHBondContact O-N 3.26Å; Q492-K494 VanDerWaalsContact C-N 3.32Å; Q492-K494 PolarHBondContact O-N 2.98Å; Q492-K495 PolarHBondContact O-N 3Å; Q492-G496 PolarHBondContact O-N 2.95Å
493	Y	87.9	Confident	80.7	Confident	30 Å²	30	16.8 Å²	16.8	12%	0.118	8%	0.078	C	C	.	.	H	α-helix	trans	-66.9	-34.7	177	-49.2	-33	0	0	0	112.4	Y408 W409 P412 S413 F488 S489 P490 Q491 G496 A497	Y408-Y493 HydrophobicContact CD1-CE1 4.22Å; Y408-Y493 HydrophobicContact CE1-CE1 4.41Å; Y408-Y493 VanDerWaalsContact CE1-OH 3.31Å; Y408-Y493 WeakPolarHBondContact CE1-OH 3.05Å; W409-Y493 HydrophobicContact CB-CD1 4.18Å; W409-Y493 HydrophobicContact CB-CE1 4.4Å; P412-Y493 HydrophobicContact CB-CD1 3.75Å; P412-Y493 HydrophobicContact CB-CD2 3.61Å; P412-Y493 HydrophobicContact CB-CE1 4.07Å; P412-Y493 HydrophobicContact CB-CE2 3.95Å; P412-Y493 HydrophobicContact CB-CG 3.52Å; P412-Y493 HydrophobicContact CG-CD1 4.18Å; P412-Y493 HydrophobicContact CG-CD2 4.34Å; P412-Y493 HydrophobicContact CG-CE1 4.01Å; P412-Y493 HydrophobicContact CG-CE2 4.2Å; P412-Y493 HydrophobicContact CG-CG 4.35Å; S413-Y493 WeakPolarHBondContact OG-CA 3.5Å; S413-Y493 PolarHBondContact OG-O 3.19Å; F488-Y493 WeakPolarHBondContact CA-OH 3.34Å; F488-Y493 WeakPolarHBondContact CB-OH 3.43Å; F488-Y493 PolarHBondContact O-OH 3.04Å; S489-Y493 PolarHBondContact O-N 3.47Å; P490-Y493 PolarHBondContact O-N 2.89Å; Q491-Y493 VanDerWaalsContact C-N 3.32Å; Q491-Y493 PolarHBondContact O-N 2.9Å; Y493-G496 PolarHBondContact O-N 2.91Å; Y493-A497 WeakPolarHBondContact O-CB 3.5Å; Y493-A497 PolarHBondContact O-N 2.97Å
494	K	91.9	Very high	82.5	Confident	32 Å²	32	16.9 Å²	16.9	14%	0.139	8%	0.077	C	C	.	.	H	α-helix	trans	-67.6	-41.5	174.2	-71.8	171	172	-169.1	0	112.4	E457 I458 A461 A462 P490 Q491 Q492 G496 A497 A498	E457-K494 WeakPolarHBondContact O-CD 3.21Å; E457-K494 WeakPolarHBondContact O-CE 3.3Å; E457-K494 PolarHBondContact O-NZ 3.44Å; I458-K494 HydrophobicContact CB-CG 4.28Å; I458-K494 HydrophobicContact CG1-CG 4.22Å; I458-K494 HydrophobicContact CG2-CB 3.9Å; I458-K494 HydrophobicContact CG2-CG 4Å; I458-K494 WeakPolarHBondContact O-CB 3.21Å; A461-K494 HydrophobicContact CB-CD 4.44Å; A462-K494 HydrophobicContact CB-CB 3.91Å; P490-K494 WeakPolarHBondContact O-CG 3.5Å; P490-K494 PolarHBondContact O-N 2.9Å; P490-K494 VanDerWaalsContact O-N 3.14Å; Q491-K494 PolarHBondContact O-N 3.18Å; Q492-K494 VanDerWaalsContact C-N 3.32Å; Q492-K494 PolarHBondContact O-N 2.98Å; K494-G496 VanDerWaalsContact C-N 3.34Å; K494-G496 PolarHBondContact O-N 2.8Å; K494-A497 PolarHBondContact O-N 3.3Å; K494-A498 WeakPolarHBondContact O-CB 3.49Å; K494-A498 PolarHBondContact O-N 2.86Å
495	K	94.7	Very high	84.3	Confident	2 Å²	2	19.4 Å²	19.4	1%	0.009	9%	0.089	C	C	.	.	H	α-helix	trans	-55.7	-48.5	169.9	171.5	168.9	179.1	157.9	0	111.1	A462 W465 D466 L474 Q491 Q492 A497 A498 I499 Q568 T570 Y651	A462-K495 HydrophobicContact CB-CB 4.2Å; W465-K495 HydrophobicContact CZ3-CB 4.44Å; W465-K495 HydrophobicContact CZ3-CD 4.3Å; D466-K495 HydrophobicContact CB-CD 4.38Å; D466-K495 IonicContact OD1-NZ 2.74Å; D466-K495 PolarHBondContact OD1-NZ 2.77Å; D466-K495 WeakPolarHBondContact OD2-CD 3.17Å; D466-K495 VanDerWaalsContact OD2-CE 3.29Å; D466-K495 WeakPolarHBondContact OD2-CE 3.47Å; D466-K495 IonicContact OD2-NZ 2.64Å; D466-K495 PolarHBondContact OD2-NZ 3.14Å; L474-K495 HydrophobicContact CD1-CG 4.35Å; L474-K495 HydrophobicContact CD2-CB 4.27Å; L474-K495 HydrophobicContact CD2-CD 4.23Å; L474-K495 HydrophobicContact CD2-CG 4Å; L474-K495 HydrophobicContact CG-CD 4.37Å; L474-K495 HydrophobicContact CG-CG 4.29Å; Q491-K495 PolarHBondContact O-N 2.95Å; Q492-K495 PolarHBondContact O-N 3Å; K495-A497 PolarHBondContact O-N 3.49Å; K495-A498 PolarHBondContact O-N 3.47Å; K495-I499 HydrophobicContact CG-CD1 3.8Å; K495-I499 WeakPolarHBondContact O-CG1 3.31Å; K495-I499 PolarHBondContact O-N 3.44Å; K495-Q568 PolarHBondContact NZ-O 3.5Å; K495-T570 PolarHBondContact NZ-O 3.12Å; K495-T570 VanDerWaalsContact NZ-O 3.1Å; K495-Y651 HydrophobicContact CD-CE1 4.16Å; K495-Y651 HydrophobicContact CG-CE1 3.89Å
496	G	94.5	Very high	86.1	Confident	0 Å²	0	18.5 Å²	18.5	0%	0	8%	0.084	C	C	.	.	H	α-helix	trans	-59.2	-46	176	0	0	0	0	0	112.9	Q492 Y493 K494 A498 I499 L500	Q492-G496 PolarHBondContact O-N 2.95Å; Y493-G496 PolarHBondContact O-N 2.91Å; K494-G496 VanDerWaalsContact C-N 3.34Å; K494-G496 PolarHBondContact O-N 2.8Å; G496-A498 PolarHBondContact O-N 3.39Å; G496-I499 PolarHBondContact O-N 2.88Å; G496-L500 VanDerWaalsContact O-CG 3.3Å; G496-L500 WeakPolarHBondContact O-CG 3.22Å; G496-L500 PolarHBondContact O-N 3.49Å
497	A	94.7	Very high	87.8	Confident	0 Å²	0	14.1 Å²	14.1	0%	0	7%	0.068	C	C	.	.	H	α-helix	trans	-62.5	-42.1	177.6	0	0	0	0	0	112.6	S413 C416 F417 F454 I458 Y493 K494 K495 L500 R501	S413-A497 WeakPolarHBondContact O-CB 3.4Å; C416-A497 HydrophobicContact CB-CB 3.63Å; F417-A497 HydrophobicContact CB-CB 4.38Å; F454-A497 HydrophobicContact CE2-CB 4.25Å; F454-A497 HydrophobicContact CZ-CB 4.05Å; I458-A497 HydrophobicContact CG2-CB 3.97Å; Y493-A497 WeakPolarHBondContact O-CB 3.5Å; Y493-A497 PolarHBondContact O-N 2.97Å; K494-A497 PolarHBondContact O-N 3.3Å; K495-A497 PolarHBondContact O-N 3.49Å; A497-L500 WeakPolarHBondContact O-CB 3.14Å; A497-L500 PolarHBondContact O-N 3.04Å; A497-R501 PolarHBondContact O-N 3.19Å
498	A	96.7	Very high	89.4	Confident	2 Å²	2	15 Å²	15	2%	0.017	8%	0.081	C	C	.	.	H	α-helix	trans	-63.8	-42.1	177.2	0	0	0	0	0	112.3	M459 K494 K495 G496 L500 R501 M502 Y651	M459-A498 HydrophobicContact CB-CB 4.29Å; M459-A498 HydrophobicContact CG-CB 3.92Å; K494-A498 WeakPolarHBondContact O-CB 3.49Å; K494-A498 PolarHBondContact O-N 2.86Å; K495-A498 PolarHBondContact O-N 3.47Å; G496-A498 PolarHBondContact O-N 3.39Å; A498-L500 VanDerWaalsContact C-N 3.34Å; A498-R501 PolarHBondContact O-N 2.88Å; A498-M502 PolarHBondContact O-N 2.84Å; A498-Y651 HydrophobicContact CB-CD2 3.51Å; A498-Y651 HydrophobicContact CB-CE2 3.97Å; A498-Y651 HydrophobicContact CB-CG 4.29Å
499	I	96.5	Very high	90.6	Very high	0 Å²	0	16.8 Å²	16.8	0%	0	9%	0.091	C	C	.	.	H	α-helix	trans	-64	-39.1	173.5	-71	160.3	0	0	0	110.9	L474 K495 G496 M502 I503 W565 F566 Y651	L474-I499 HydrophobicContact CD1-CD1 3.79Å; K495-I499 HydrophobicContact CG-CD1 3.8Å; K495-I499 WeakPolarHBondContact O-CG1 3.31Å; K495-I499 PolarHBondContact O-N 3.44Å; G496-I499 PolarHBondContact O-N 2.88Å; I499-M502 PolarHBondContact O-N 3.36Å; I499-I503 HydrophobicContact CG2-CD1 3.91Å; I499-I503 VanDerWaalsContact O-CG1 3.29Å; I499-I503 WeakPolarHBondContact O-CG1 3.43Å; I499-I503 PolarHBondContact O-N 2.88Å; I499-W565 HydrophobicContact CD1-CB 4.07Å; I499-W565 HydrophobicContact CD1-CE3 4.49Å; I499-W565 WeakPolarHBondContact CD1-O 3.31Å; I499-W565 HydrophobicContact CG1-CB 4.34Å; I499-W565 HydrophobicContact CG1-CE3 4.28Å; I499-W565 HydrophobicContact CG2-CB 3.97Å; I499-F566 HydrophobicContact CG2-CE1 3.92Å; I499-F566 HydrophobicContact CG2-CZ 3.78Å; I499-Y651 HydrophobicContact CD1-CD1 4.23Å; I499-Y651 HydrophobicContact CD1-CE1 4.44Å; I499-Y651 HydrophobicContact CG1-CD1 3.98Å; I499-Y651 HydrophobicContact CG1-CG 4.22Å
500	L	95.7	Very high	91.5	Very high	7 Å²	7	20.5 Å²	20.5	4%	0.037	11%	0.114	C	C	.	.	H	α-helix	trans	-62.7	-42	172.8	-71.2	170.6	0	0	0	112.3	A414 F417 G496 A497 A498 M502 I503 Y504 F512 W533	A414-L500 HydrophobicContact CB-CD1 4.38Å; F417-L500 HydrophobicContact CB-CB 4Å; F417-L500 HydrophobicContact CB-CD1 4.14Å; F417-L500 HydrophobicContact CD2-CB 4.17Å; F417-L500 HydrophobicContact CG-CB 3.94Å; G496-L500 VanDerWaalsContact O-CG 3.3Å; G496-L500 WeakPolarHBondContact O-CG 3.22Å; G496-L500 PolarHBondContact O-N 3.49Å; A497-L500 WeakPolarHBondContact O-CB 3.14Å; A497-L500 PolarHBondContact O-N 3.04Å; A498-L500 VanDerWaalsContact C-N 3.34Å; L500-M502 PolarHBondContact O-N 3.26Å; L500-I503 PolarHBondContact O-N 3.03Å; L500-Y504 WeakPolarHBondContact O-CB 3.43Å; L500-Y504 PolarHBondContact O-N 3.5Å; L500-F512 HydrophobicContact CB-CZ 4.5Å; L500-F512 HydrophobicContact CD2-CZ 4.32Å; L500-W533 HydrophobicContact CD2-CH2 3.66Å; L500-W533 HydrophobicContact CD2-CZ2 3.27Å
501	R	95.6	Very high	92	Very high	1 Å²	1	20.4 Å²	20.4	0%	0.004	11%	0.111	C	C	.	.	H	α-helix	trans	-61.6	-41.9	173.1	178.8	176.5	169.7	-99.3	1	111.9	F417 L420 E451 F454 A497 A498 Y504 H505 G647 A648	F417-R501 HydrophobicContact CD2-CB 3.95Å; F417-R501 HydrophobicContact CE2-CB 3.97Å; L420-R501 HydrophobicContact CD2-CG 4.16Å; E451-R501 IonicContact OE2-CZ 2.61Å; E451-R501 IonicContact OE2-NE 3.16Å; E451-R501 IonicContact OE2-NH2 2.62Å; E451-R501 PolarHBondContact OE2-NH2 3.37Å; F454-R501 VanDerWaalsContact CD1-CD 3.4Å; F454-R501 HydrophobicContact CE1-CB 3.81Å; F454-R501 HydrophobicContact CE1-CG 4.19Å; F454-R501 HydrophobicContact CZ-CB 3.93Å; A497-R501 PolarHBondContact O-N 3.19Å; A498-R501 PolarHBondContact O-N 2.88Å; R501-Y504 WeakPolarHBondContact O-CB 3.29Å; R501-Y504 PolarHBondContact O-N 3.46Å; R501-H505 PolarHBondContact O-N 2.97Å; R501-H505 VanDerWaalsContact O-N 3.11Å; R501-H505 PolarHBondContact O-ND1 2.9Å; R501-G647 PolarHBondContact NH2-O 2.69Å; R501-A648 PolarHBondContact NH1-O 3Å
502	M	95.9	Very high	92.4	Very high	0 Å²	0	20 Å²	20	0%	0	11%	0.109	C	C	.	.	H	α-helix	trans	-62.9	-44.4	175.6	-177.3	-178.4	61.3	0	0	111.2	A498 I499 L500 H505 V506 W565 P608 W610	A498-M502 PolarHBondContact O-N 2.84Å; I499-M502 PolarHBondContact O-N 3.36Å; L500-M502 PolarHBondContact O-N 3.26Å; M502-H505 PolarHBondContact O-N 2.94Å; M502-V506 WeakPolarHBondContact O-CG2 3.3Å; M502-V506 PolarHBondContact O-N 2.94Å; M502-W565 HydrophobicContact CE-CD2 3.66Å; M502-W565 HydrophobicContact CE-CE3 3.94Å; M502-W565 HydrophobicContact CE-CG 4.17Å; M502-W565 HydrophobicContact CE-CH2 4.13Å; M502-W565 HydrophobicContact CE-CZ2 3.87Å; M502-W565 HydrophobicContact CE-CZ3 4.17Å; M502-W565 HydrophobicContact SD-CH2 4.21Å; M502-W565 HydrophobicContact SD-CZ2 4.19Å; M502-P608 HydrophobicContact CG-CG 4.08Å; M502-P608 HydrophobicContact SD-CG 3.92Å; M502-W610 HydrophobicContact CG-CH2 3.7Å; M502-W610 HydrophobicContact CG-CZ3 3.79Å; M502-W610 HydrophobicContact SD-CZ3 4.45Å
503	I	93.7	Very high	92.8	Very high	0 Å²	0	23.4 Å²	23.4	0%	0	12%	0.124	C	C	.	.	H	α-helix	trans	-63	-44.3	177.4	-69.1	169.3	0	0	0	110.9	I499 L500 H505 V506 I507 F512 W533 L537 F562 F566	I499-I503 HydrophobicContact CG2-CD1 3.91Å; I499-I503 VanDerWaalsContact O-CG1 3.29Å; I499-I503 WeakPolarHBondContact O-CG1 3.43Å; I499-I503 PolarHBondContact O-N 2.88Å; L500-I503 PolarHBondContact O-N 3.03Å; I503-H505 VanDerWaalsContact C-N 3.31Å; I503-H505 PolarHBondContact O-N 3.29Å; I503-V506 WeakPolarHBondContact O-CA 3.38Å; I503-V506 WeakPolarHBondContact O-CB 3.35Å; I503-V506 PolarHBondContact O-N 3.09Å; I503-I507 HydrophobicContact CG2-CD1 4.41Å; I503-I507 WeakPolarHBondContact O-CG1 3.45Å; I503-I507 PolarHBondContact O-N 2.98Å; I503-F512 HydrophobicContact CG2-CE2 4.38Å; I503-W533 HydrophobicContact CD1-CH2 3.67Å; I503-W533 HydrophobicContact CD1-CZ3 3.91Å; I503-W533 HydrophobicContact CG2-CH2 4.28Å; I503-L537 HydrophobicContact CG2-CD1 4.12Å; I503-L537 HydrophobicContact CG2-CD2 4.09Å; I503-F562 HydrophobicContact CD1-CB 4.31Å; I503-F562 HydrophobicContact CD1-CD1 3.92Å; I503-F562 HydrophobicContact CD1-CD2 4.48Å; I503-F562 HydrophobicContact CD1-CE1 4.36Å; I503-F562 HydrophobicContact CD1-CG 3.98Å; I503-F562 HydrophobicContact CG1-CD1 3.64Å; I503-F562 HydrophobicContact CG1-CD2 4.41Å; I503-F562 HydrophobicContact CG1-CE1 3.59Å; I503-F562 HydrophobicContact CG1-CE2 4.34Å; I503-F562 HydrophobicContact CG1-CG 4.07Å; I503-F562 HydrophobicContact CG1-CZ 3.93Å; I503-F562 HydrophobicContact CG2-CE2 4.46Å; I503-F562 HydrophobicContact CG2-CZ 4.49Å; I503-F566 HydrophobicContact CD1-CE2 4.43Å; I503-F566 HydrophobicContact CD1-CZ 4Å
504	Y	93.3	Very high	93	Very high	50 Å²	50	26.3 Å²	26.3	20%	0.196	14%	0.139	C	C	.	.	H	α-helix	trans	-52.4	-45.6	173	171.5	-90.3	0	0	0	112	F417 L500 R501 V506 I507 G508 D509 F512	F417-Y504 HydrophobicContact CE1-CD2 4.46Å; F417-Y504 HydrophobicContact CE2-CG 4.24Å; F417-Y504 HydrophobicContact CZ-CD1 4.43Å; F417-Y504 AromaticContact CZ-CD2 3.71Å; F417-Y504 HydrophobicContact CZ-CD2 3.71Å; F417-Y504 HydrophobicContact CZ-CE2 4.35Å; F417-Y504 AromaticContact CZ-CG 3.75Å; F417-Y504 HydrophobicContact CZ-CG 3.75Å; L500-Y504 WeakPolarHBondContact O-CB 3.43Å; L500-Y504 PolarHBondContact O-N 3.5Å; R501-Y504 WeakPolarHBondContact O-CB 3.29Å; R501-Y504 PolarHBondContact O-N 3.46Å; Y504-V506 VanDerWaalsContact C-N 3.33Å; Y504-V506 PolarHBondContact O-N 2.97Å; Y504-I507 PolarHBondContact O-N 2.91Å; Y504-G508 WeakPolarHBondContact O-CA 3.5Å; Y504-G508 PolarHBondContact O-N 2.78Å; Y504-D509 HydrophobicContact CE2-CB 3.91Å; Y504-F512 HydrophobicContact CD2-CB 3.82Å; Y504-F512 HydrophobicContact CD2-CD1 4.03Å; Y504-F512 HydrophobicContact CD2-CD2 4.14Å; Y504-F512 AromaticContact CD2-CG 3.74Å; Y504-F512 HydrophobicContact CD2-CG 3.74Å; Y504-F512 HydrophobicContact CG-CD2 4.43Å; Y504-F512 HydrophobicContact CG-CG 4.46Å
505	H	91.9	Very high	93.1	Very high	53 Å²	53	24.8 Å²	24.8	25%	0.245	13%	0.132	C	C	.	.	H	α-helix	trans	-73.7	-17.4	175.7	-70.4	89.2	0	0	0	114.4	R501 M502 I503 W610 I649	R501-H505 PolarHBondContact O-N 2.97Å; R501-H505 VanDerWaalsContact O-N 3.11Å; R501-H505 PolarHBondContact O-ND1 2.9Å; M502-H505 PolarHBondContact O-N 2.94Å; I503-H505 VanDerWaalsContact C-N 3.31Å; I503-H505 PolarHBondContact O-N 3.29Å; H505-W610 HydrophobicContact CB-CH2 4.34Å; H505-W610 HydrophobicContact CB-CZ2 3.72Å; H505-I649 HydrophobicContact CB-CG2 3.35Å; H505-I649 VanDerWaalsContact CG-CG2 3.41Å
506	V	91	Very high	93.1	Very high	13 Å²	13	25 Å²	25	8%	0.079	13%	0.133	C	C	.	.	H	α-helix	trans	-76.2	-46.7	170.9	172.4	0	0	0	0	111.3	M502 I503 Y504 L551 F562 P608 W610 K621 W623	M502-V506 WeakPolarHBondContact O-CG2 3.3Å; M502-V506 PolarHBondContact O-N 2.94Å; I503-V506 WeakPolarHBondContact O-CA 3.38Å; I503-V506 WeakPolarHBondContact O-CB 3.35Å; I503-V506 PolarHBondContact O-N 3.09Å; Y504-V506 VanDerWaalsContact C-N 3.33Å; Y504-V506 PolarHBondContact O-N 2.97Å; V506-L551 HydrophobicContact CG1-CD1 4.44Å; V506-L551 HydrophobicContact CG1-CD2 4.35Å; V506-F562 HydrophobicContact CB-CZ 4.08Å; V506-F562 HydrophobicContact CG1-CZ 3.93Å; V506-F562 HydrophobicContact CG2-CE1 4.45Å; V506-F562 HydrophobicContact CG2-CZ 4.16Å; V506-P608 HydrophobicContact CG2-CB 3.91Å; V506-P608 HydrophobicContact CG2-CG 3.75Å; V506-W610 HydrophobicContact CG2-CH2 3.78Å; V506-W610 HydrophobicContact CG2-CZ2 4.02Å; V506-K621 PolarHBondContact O-NZ 3.09Å; V506-W623 HydrophobicContact CG1-CH2 4.02Å; V506-W623 HydrophobicContact CG1-CZ2 3.67Å; V506-W623 HydrophobicContact CG2-CH2 3.98Å; V506-W623 HydrophobicContact CG2-CZ2 4.12Å
507	I	89.2	Confident	93.1	Very high	11 Å²	11	25.8 Å²	25.8	6%	0.056	14%	0.139	C	C	.	.	H	α-helix	trans	-99.1	-20	-169.1	69.8	170.8	0	0	0	114.6	I503 Y504 I511 F512 V515 L537 T541	I503-I507 HydrophobicContact CG2-CD1 4.41Å; I503-I507 WeakPolarHBondContact O-CG1 3.45Å; I503-I507 PolarHBondContact O-N 2.98Å; Y504-I507 PolarHBondContact O-N 2.91Å; I507-I511 HydrophobicContact CB-CG2 4.47Å; I507-I511 HydrophobicContact CD1-CB 4.39Å; I507-I511 HydrophobicContact CD1-CG2 4.03Å; I507-F512 HydrophobicContact CD1-CB 3.96Å; I507-F512 HydrophobicContact CD1-CD2 3.95Å; I507-F512 HydrophobicContact CD1-CG 4.4Å; I507-F512 HydrophobicContact CG1-CB 4.22Å; I507-F512 HydrophobicContact CG1-CD2 4.34Å; I507-V515 HydrophobicContact CD1-CG2 4.23Å; I507-L537 HydrophobicContact CD1-CD1 3.73Å; I507-T541 HydrophobicContact CB-CG2 4.37Å; I507-T541 HydrophobicContact CG2-CG2 3.84Å
508	G	89.2	Confident	93.1	Very high	33 Å²	33	28.3 Å²	28.3	34%	0.34	16%	0.157	S	C	.	.			trans	81.8	151.4	-177.9	0	0	0	0	0	114.1	Y504 T510 I511 F512	Y504-G508 WeakPolarHBondContact O-CA 3.5Å; Y504-G508 PolarHBondContact O-N 2.78Å; G508-T510 PolarHBondContact O-N 3.11Å; G508-I511 PolarHBondContact O-N 3.04Å; G508-I511 VanDerWaalsContact O-N 3.12Å; G508-F512 PolarHBondContact O-N 3.04Å
509	D	89.1	Confident	93.1	Very high	60 Å²	60	28.3 Å²	28.3	32%	0.321	16%	0.156	S	C	.	.	H	α-helix	trans	-47.2	-52.8	-175.6	178.7	74.8	0	0	0	113.3	Y331 Y504 I511 F512 K513	Y331-D509 WeakPolarHBondContact CE2-OD1 3.41Å; Y331-D509 PolarHBondContact OH-OD1 2.93Å; Y504-D509 HydrophobicContact CE2-CB 3.91Å; D509-I511 PolarHBondContact O-N 3.49Å; D509-F512 PolarHBondContact O-N 2.69Å; D509-K513 VanDerWaalsContact O-CB 3.32Å; D509-K513 WeakPolarHBondContact O-CB 3.42Å; D509-K513 PolarHBondContact O-N 3.38Å
510	T	90.7	Very high	93	Very high	93 Å²	93	28.3 Å²	28.3	57%	0.571	16%	0.156	S	C	*	.	H	α-helix	trans	-56.2	-31.6	-175.4	-50.1	0	0	0	0	113.6	G508 Q514	G508-T510 PolarHBondContact O-N 3.11Å; T510-Q514 VanDerWaalsContact O-CG 3.32Å; T510-Q514 WeakPolarHBondContact O-CG 3.33Å; T510-Q514 PolarHBondContact O-NE2 2.61Å
511	I	90.5	Very high	93	Very high	28 Å²	28	33.7 Å²	33.7	14%	0.144	18%	0.179	C	C	.	.	H	α-helix	trans	-91.1	-36.1	177.2	-65.5	81.3	0	0	0	110.3	I507 G508 D509 K513 Q514 V515 A540 T541 L544	I507-I511 HydrophobicContact CB-CG2 4.47Å; I507-I511 HydrophobicContact CD1-CB 4.39Å; I507-I511 HydrophobicContact CD1-CG2 4.03Å; G508-I511 PolarHBondContact O-N 3.04Å; G508-I511 VanDerWaalsContact O-N 3.12Å; D509-I511 PolarHBondContact O-N 3.49Å; I511-K513 VanDerWaalsContact C-N 3.32Å; I511-K513 PolarHBondContact O-N 3.04Å; I511-Q514 CarbonylContact O-C 3.19Å; I511-Q514 WeakPolarHBondContact O-CA 3.16Å; I511-Q514 WeakPolarHBondContact O-CB 3.17Å; I511-Q514 PolarHBondContact O-N 3.4Å; I511-V515 WeakPolarHBondContact O-CG2 3.39Å; I511-V515 PolarHBondContact O-N 3.06Å; I511-A540 HydrophobicContact CG2-CB 4.18Å; I511-T541 HydrophobicContact CG2-CG2 3.98Å; I511-L544 HydrophobicContact CB-CD1 4.33Å; I511-L544 HydrophobicContact CD1-CD1 3.94Å; I511-L544 HydrophobicContact CD1-CD2 4.13Å; I511-L544 HydrophobicContact CD1-CG 4.32Å; I511-L544 HydrophobicContact CG1-CD1 3.79Å; I511-L544 HydrophobicContact CG1-CD2 4.46Å; I511-L544 HydrophobicContact CG1-CG 4.15Å; I511-L544 HydrophobicContact CG2-CD1 4.36Å
512	F	93	Very high	93	Very high	1 Å²	1	37.9 Å²	37.9	0%	0.004	20%	0.198	C	C	.	.	H	α-helix	trans	-60.7	-41.8	173.8	-161.9	-83.2	0	0	0	111.8	F417 L500 I503 Y504 I507 G508 D509 Q514 V515 L516	F417-F512 AromaticContact CD1-CE1 3.84Å; F417-F512 HydrophobicContact CD1-CE1 3.84Å; F417-F512 AromaticContact CD1-CZ 3.88Å; F417-F512 HydrophobicContact CD1-CZ 3.88Å; F417-F512 HydrophobicContact CE1-CD1 4.07Å; F417-F512 AromaticContact CE1-CE1 3.3Å; F417-F512 HydrophobicContact CE1-CE1 3.3Å; F417-F512 AromaticContact CE1-CZ 3.59Å; F417-F512 HydrophobicContact CE1-CZ 3.59Å; F417-F512 HydrophobicContact CZ-CE1 4.07Å; F417-F512 HydrophobicContact CZ-CZ 4.15Å; L500-F512 HydrophobicContact CB-CZ 4.5Å; L500-F512 HydrophobicContact CD2-CZ 4.32Å; I503-F512 HydrophobicContact CG2-CE2 4.38Å; Y504-F512 HydrophobicContact CD2-CB 3.82Å; Y504-F512 HydrophobicContact CD2-CD1 4.03Å; Y504-F512 HydrophobicContact CD2-CD2 4.14Å; Y504-F512 AromaticContact CD2-CG 3.74Å; Y504-F512 HydrophobicContact CD2-CG 3.74Å; Y504-F512 HydrophobicContact CG-CD2 4.43Å; Y504-F512 HydrophobicContact CG-CG 4.46Å; I507-F512 HydrophobicContact CD1-CB 3.96Å; I507-F512 HydrophobicContact CD1-CD2 3.95Å; I507-F512 HydrophobicContact CD1-CG 4.4Å; I507-F512 HydrophobicContact CG1-CB 4.22Å; I507-F512 HydrophobicContact CG1-CD2 4.34Å; G508-F512 PolarHBondContact O-N 3.04Å; D509-F512 PolarHBondContact O-N 2.69Å; F512-Q514 VanDerWaalsContact C-N 3.32Å; F512-Q514 PolarHBondContact O-N 3.24Å; F512-V515 WeakPolarHBondContact O-CB 3.36Å; F512-V515 PolarHBondContact O-N 3.15Å; F512-V515 VanDerWaalsContact O-N 3.15Å; F512-L516 HydrophobicContact CD1-CD1 4.17Å; F512-L516 HydrophobicContact CD1-CD2 4.39Å; F512-L516 HydrophobicContact CD1-CG 3.97Å; F512-L516 HydrophobicContact CE1-CD1 3.93Å; F512-L516 HydrophobicContact CE1-CD2 3.82Å; F512-L516 HydrophobicContact CE1-CG 3.83Å; F512-L516 HydrophobicContact CZ-CD2 4.44Å; F512-L516 PolarHBondContact O-N 2.88Å
513	K	92.5	Very high	93	Very high	75 Å²	75	39.5 Å²	39.5	33%	0.326	20%	0.204	S	C	.	.	H	α-helix	trans	-55.8	-42.6	169.4	175.4	159	-179.6	151.5	0	112.4	N330 Y331 D509 I511 S517	N330-K513 PolarHBondContact O-NZ 2.92Å; Y331-K513 HydrophobicContact CD2-CD 3.98Å; Y331-K513 HydrophobicContact CE2-CB 4.15Å; Y331-K513 HydrophobicContact CE2-CD 3.99Å; Y331-K513 HydrophobicContact CE2-CG 4.42Å; Y331-K513 WeakPolarHBondContact O-CD 3.24Å; Y331-K513 WeakPolarHBondContact O-CE 3.46Å; Y331-K513 WeakPolarHBondContact O-CG 3.28Å; Y331-K513 PolarHBondContact O-NZ 3.22Å; D509-K513 VanDerWaalsContact O-CB 3.32Å; D509-K513 WeakPolarHBondContact O-CB 3.42Å; D509-K513 PolarHBondContact O-N 3.38Å; I511-K513 VanDerWaalsContact C-N 3.32Å; I511-K513 PolarHBondContact O-N 3.04Å; K513-S517 WeakPolarHBondContact O-CB 3.49Å; K513-S517 PolarHBondContact O-N 2.96Å
514	Q	92.3	Very high	93	Very high	92 Å²	92	40.8 Å²	40.8	43%	0.43	21%	0.214	S	C	.	.	H	α-helix	trans	-66.6	-40	175	-72.8	168.9	50.6	0	0	112.2	T510 I511 F512 S517 S518	T510-Q514 VanDerWaalsContact O-CG 3.32Å; T510-Q514 WeakPolarHBondContact O-CG 3.33Å; T510-Q514 PolarHBondContact O-NE2 2.61Å; I511-Q514 CarbonylContact O-C 3.19Å; I511-Q514 WeakPolarHBondContact O-CA 3.16Å; I511-Q514 WeakPolarHBondContact O-CB 3.17Å; I511-Q514 PolarHBondContact O-N 3.4Å; F512-Q514 VanDerWaalsContact C-N 3.32Å; F512-Q514 PolarHBondContact O-N 3.24Å; Q514-S517 PolarHBondContact O-N 3.49Å; Q514-S518 WeakPolarHBondContact O-CB 3.38Å; Q514-S518 PolarHBondContact O-N 2.87Å; Q514-S518 PolarHBondContact O-OG 3.39Å
515	V	93.7	Very high	92.8	Very high	0 Å²	0	41.8 Å²	41.8	0%	0	22%	0.218	C	C	.	.	H	α-helix	trans	-59.7	-51.7	174.7	172.2	0	0	0	0	110.9	I507 I511 F512 S517 S518 L519 V536 L537 A540	I507-V515 HydrophobicContact CD1-CG2 4.23Å; I511-V515 WeakPolarHBondContact O-CG2 3.39Å; I511-V515 PolarHBondContact O-N 3.06Å; F512-V515 WeakPolarHBondContact O-CB 3.36Å; F512-V515 PolarHBondContact O-N 3.15Å; F512-V515 VanDerWaalsContact O-N 3.15Å; V515-S517 PolarHBondContact O-N 3.42Å; V515-S518 PolarHBondContact O-N 3.32Å; V515-L519 WeakPolarHBondContact O-CB 3.41Å; V515-L519 PolarHBondContact O-N 3.34Å; V515-V536 HydrophobicContact CG1-CG1 4.32Å; V515-L537 HydrophobicContact CG1-CD1 4.47Å; V515-L537 HydrophobicContact CG2-CD1 3.83Å; V515-A540 HydrophobicContact CG2-CB 3.51Å
516	L	94.9	Very high	92.8	Very high	6 Å²	6	41.1 Å²	41.1	3%	0.031	22%	0.222	C	C	.	.	H	α-helix	trans	-59.7	-48.1	178.2	-64.9	-167	0	0	0	111.8	Y331 I332 F396 L418 F512 S518 L519 V520	Y331-L516 HydrophobicContact CD1-CD1 4.26Å; Y331-L516 HydrophobicContact CE1-CD1 3.83Å; I332-L516 HydrophobicContact CG1-CD1 4.38Å; F396-L516 HydrophobicContact CE1-CD2 4.01Å; F396-L516 HydrophobicContact CZ-CB 4.15Å; F396-L516 HydrophobicContact CZ-CD1 4.22Å; F396-L516 HydrophobicContact CZ-CD2 3.85Å; F396-L516 HydrophobicContact CZ-CG 4.29Å; L418-L516 HydrophobicContact CD2-CD1 3.98Å; F512-L516 HydrophobicContact CD1-CD1 4.17Å; F512-L516 HydrophobicContact CD1-CD2 4.39Å; F512-L516 HydrophobicContact CD1-CG 3.97Å; F512-L516 HydrophobicContact CE1-CD1 3.93Å; F512-L516 HydrophobicContact CE1-CD2 3.82Å; F512-L516 HydrophobicContact CE1-CG 3.83Å; F512-L516 HydrophobicContact CZ-CD2 4.44Å; F512-L516 PolarHBondContact O-N 2.88Å; L516-S518 VanDerWaalsContact C-N 3.3Å; L516-S518 PolarHBondContact O-N 3.38Å; L516-L519 PolarHBondContact O-N 3.01Å; L516-V520 WeakPolarHBondContact O-CG2 3.15Å; L516-V520 PolarHBondContact O-N 3.05Å
517	S	95.3	Very high	92.8	Very high	17 Å²	17	43 Å²	43	12%	0.119	24%	0.236	C	C	.	.	H	α-helix	trans	-62.2	-39.2	-179.4	-150.1	0	0	0	0	112.1	I332 K513 Q514 V515 K521	I332-S517 VanDerWaalsContact O-CA 3.31Å; I332-S517 WeakPolarHBondContact O-CA 3.4Å; I332-S517 WeakPolarHBondContact O-CB 3.48Å; I332-S517 PolarHBondContact O-OG 3.24Å; K513-S517 WeakPolarHBondContact O-CB 3.49Å; K513-S517 PolarHBondContact O-N 2.96Å; Q514-S517 PolarHBondContact O-N 3.49Å; V515-S517 PolarHBondContact O-N 3.42Å; S517-K521 VanDerWaalsContact O-CB 3.3Å; S517-K521 WeakPolarHBondContact O-CB 3.4Å; S517-K521 WeakPolarHBondContact O-CD 3.26Å; S517-K521 WeakPolarHBondContact O-CG 3.26Å; S517-K521 PolarHBondContact O-N 2.9Å; S517-K521 PolarHBondContact OG-NZ 2.86Å
518	S	95.2	Very high	93	Very high	53 Å²	53	42.7 Å²	42.7	37%	0.371	23%	0.234	S	C	.	.	H	α-helix	trans	-72.7	-42.1	179.8	-55.6	0	0	0	0	111.6	Q514 V515 L516 K521 K522	Q514-S518 WeakPolarHBondContact O-CB 3.38Å; Q514-S518 PolarHBondContact O-N 2.87Å; Q514-S518 PolarHBondContact O-OG 3.39Å; V515-S518 PolarHBondContact O-N 3.32Å; L516-S518 VanDerWaalsContact C-N 3.3Å; L516-S518 PolarHBondContact O-N 3.38Å; S518-K521 PolarHBondContact O-N 2.7Å; S518-K522 WeakPolarHBondContact O-CB 3.41Å; S518-K522 PolarHBondContact O-N 2.88Å
519	L	95.4	Very high	93	Very high	1 Å²	1	42.8 Å²	42.8	1%	0.005	23%	0.227	C	C	.	.	H	α-helix	trans	-58.9	-51.3	176.4	-172	80.8	0	0	0	110.6	F396 V515 L516 K521 K522 Y523 I528 W533 V536	F396-L519 HydrophobicContact CD1-CD2 4.07Å; F396-L519 HydrophobicContact CE1-CD2 4Å; V515-L519 WeakPolarHBondContact O-CB 3.41Å; V515-L519 PolarHBondContact O-N 3.34Å; L516-L519 PolarHBondContact O-N 3.01Å; L519-K521 PolarHBondContact O-N 3.34Å; L519-K522 PolarHBondContact O-N 3.18Å; L519-Y523 HydrophobicContact CD1-CD2 3.95Å; L519-Y523 HydrophobicContact CD1-CE2 4.17Å; L519-Y523 HydrophobicContact CG-CD2 4.44Å; L519-Y523 WeakPolarHBondContact O-CB 3.42Å; L519-Y523 WeakPolarHBondContact O-CD2 3.34Å; L519-Y523 PolarHBondContact O-N 2.93Å; L519-I528 HydrophobicContact CD1-CD1 4.18Å; L519-I528 HydrophobicContact CD2-CD1 4.11Å; L519-I528 HydrophobicContact CG-CD1 4.44Å; L519-W533 HydrophobicContact CD1-CB 4.5Å; L519-V536 HydrophobicContact CB-CG1 4.24Å; L519-V536 HydrophobicContact CD1-CB 4.26Å; L519-V536 HydrophobicContact CD1-CG2 4.04Å
520	V	95.5	Very high	92.9	Very high	0 Å²	0	40.8 Å²	40.8	0%	0	22%	0.215	C	C	.	.	H	α-helix	trans	-62.1	-45.4	179.3	173.3	0	0	0	0	111.2	I332 Y334 W395 F396 L399 V400 L516 K522 A524	I332-V520 HydrophobicContact CG2-CB 4.35Å; I332-V520 HydrophobicContact CG2-CG2 3.91Å; Y334-V520 HydrophobicContact CD1-CG1 3.92Å; Y334-V520 HydrophobicContact CD2-CG1 3.59Å; Y334-V520 HydrophobicContact CE1-CG1 4.45Å; Y334-V520 HydrophobicContact CE2-CG1 4.12Å; Y334-V520 HydrophobicContact CG-CG1 3.48Å; Y334-V520 VanDerWaalsContact CG-CG1 3.48Å; W395-V520 HydrophobicContact CB-CG2 4.29Å; F396-V520 HydrophobicContact CD1-CG2 4.42Å; F396-V520 HydrophobicContact CE1-CG2 3.62Å; F396-V520 HydrophobicContact CZ-CG2 3.8Å; L399-V520 HydrophobicContact CD2-CG1 3.6Å; V400-V520 HydrophobicContact CG2-CG2 4.44Å; L516-V520 WeakPolarHBondContact O-CG2 3.15Å; L516-V520 PolarHBondContact O-N 3.05Å; V520-K522 VanDerWaalsContact C-N 3.33Å; V520-K522 PolarHBondContact O-N 3.4Å; V520-A524 VanDerWaalsContact O-CB 3.3Å; V520-A524 WeakPolarHBondContact O-CB 3.08Å; V520-A524 PolarHBondContact O-N 2.72Å
521	K	95.6	Very high	92.9	Very high	120 Å²	120	38.7 Å²	38.7	52%	0.522	20%	0.202	S	C	.	.	H	α-helix	trans	-68.7	-29.6	-179.5	-73.8	166.3	-178.6	154.6	0	113.7	G333 Y334 S517 S518 L519	G333-K521 WeakPolarHBondContact O-CE 3.25Å; G333-K521 PolarHBondContact O-NZ 2.97Å; Y334-K521 HydrophobicContact CD2-CG 3.91Å; Y334-K521 HydrophobicContact CE2-CG 4.5Å; S517-K521 VanDerWaalsContact O-CB 3.3Å; S517-K521 WeakPolarHBondContact O-CB 3.4Å; S517-K521 WeakPolarHBondContact O-CD 3.26Å; S517-K521 WeakPolarHBondContact O-CG 3.26Å; S517-K521 PolarHBondContact O-N 2.9Å; S517-K521 PolarHBondContact OG-NZ 2.86Å; S518-K521 PolarHBondContact O-N 2.7Å; L519-K521 PolarHBondContact O-N 3.34Å
522	K	96	Very high	93	Very high	90 Å²	90	38.3 Å²	38.3	39%	0.391	20%	0.2	S	C	.	.	H	α-helix	trans	-84.6	-26	-178.8	-170.1	177.4	-176.6	-174.5	0	113	S518 L519 V520 V536 E539	S518-K522 WeakPolarHBondContact O-CB 3.41Å; S518-K522 PolarHBondContact O-N 2.88Å; L519-K522 PolarHBondContact O-N 3.18Å; V520-K522 VanDerWaalsContact C-N 3.33Å; V520-K522 PolarHBondContact O-N 3.4Å; K522-V536 HydrophobicContact CD-CG2 3.86Å; K522-E539 IonicContact NZ-OE1 3.06Å; K522-E539 PolarHBondContact NZ-OE1 2.67Å; K522-E539 IonicContact NZ-OE2 2.73Å; K522-E539 PolarHBondContact NZ-OE2 2.77Å
523	Y	95.2	Very high	92.9	Very high	34 Å²	34	38.7 Å²	38.7	13%	0.133	20%	0.202	C	C	.	.	H	α-helix	trans	-127.8	16.3	-173.2	-61.4	-79.1	0	0	0	114.9	L519 Y525 A526 I528 D532 V536	L519-Y523 HydrophobicContact CD1-CD2 3.95Å; L519-Y523 HydrophobicContact CD1-CE2 4.17Å; L519-Y523 HydrophobicContact CG-CD2 4.44Å; L519-Y523 WeakPolarHBondContact O-CB 3.42Å; L519-Y523 WeakPolarHBondContact O-CD2 3.34Å; L519-Y523 PolarHBondContact O-N 2.93Å; Y523-Y525 PolarHBondContact O-N 3.16Å; Y523-A526 WeakPolarHBondContact O-CA 3.43Å; Y523-A526 WeakPolarHBondContact O-CB 3.04Å; Y523-A526 PolarHBondContact O-N 3.44Å; Y523-I528 HydrophobicContact CD1-CG2 3.46Å; Y523-I528 VanDerWaalsContact CD1-CG2 3.46Å; Y523-I528 HydrophobicContact CD2-CG2 3.7Å; Y523-I528 HydrophobicContact CE1-CG2 3.94Å; Y523-I528 HydrophobicContact CE2-CG2 4.17Å; Y523-I528 HydrophobicContact CG-CG2 3.31Å; Y523-D532 HydrophobicContact CE1-CB 4.28Å; Y523-D532 HydrophobicContact CE2-CB 4.13Å; Y523-D532 WeakPolarHBondContact OH-CB 3.38Å; Y523-D532 PolarHBondContact OH-OD1 2.98Å; Y523-D532 VanDerWaalsContact OH-OD1 3.12Å; Y523-V536 HydrophobicContact CE2-CG2 3.87Å
524	A	93	Very high	92.8	Very high	26 Å²	26	35.2 Å²	35.2	22%	0.215	19%	0.187	C	C	.	.	T	Hydrogen-bonded Turn	trans	-56.5	130.1	170.9	0	0	0	0	0	111.5	Y334 L399 V520 A526	Y334-A524 HydrophobicContact CE2-CB 4.29Å; L399-A524 HydrophobicContact CD1-CB 3.83Å; L399-A524 HydrophobicContact CD2-CB 4.43Å; L399-A524 HydrophobicContact CG-CB 4.1Å; V520-A524 VanDerWaalsContact O-CB 3.3Å; V520-A524 WeakPolarHBondContact O-CB 3.08Å; V520-A524 PolarHBondContact O-N 2.72Å; A524-A526 PolarHBondContact O-N 2.85Å
525	Y	90.7	Very high	92.8	Very high	72 Å²	72	33.9 Å²	33.9	28%	0.282	18%	0.183	S	C	.	.	T	Hydrogen-bonded Turn	trans	61.2	17.1	-173.7	-42.3	-70.8	0	0	0	114.2	K275 Q276 L399 Y523	K275-Y525 HydrophobicContact CB-CD1 4.46Å; K275-Y525 HydrophobicContact CB-CE1 3.96Å; K275-Y525 HydrophobicContact CD-CE1 3.74Å; K275-Y525 HydrophobicContact CD-CE2 4.28Å; K275-Y525 VanDerWaalsContact CD-CZ 3.47Å; K275-Y525 WeakPolarHBondContact CD-OH 3.15Å; K275-Y525 PolarHBondContact NZ-OH 2.8Å; Q276-Y525 WeakPolarHBondContact O-CD1 3.41Å; L399-Y525 HydrophobicContact CD1-CD1 3.86Å; L399-Y525 HydrophobicContact CD1-CD2 4.33Å; L399-Y525 HydrophobicContact CD1-CE1 3.38Å; L399-Y525 HydrophobicContact CD1-CE2 3.93Å; L399-Y525 HydrophobicContact CD1-CG 4.29Å; L399-Y525 PolarHBondContact O-N 3.23Å; Y523-Y525 PolarHBondContact O-N 3.16Å
526	A	91.4	Very high	92.7	Very high	38 Å²	38	34 Å²	34	31%	0.314	18%	0.183	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.6	-179.6	177	0	0	0	0	0	111.5	T401 Y523 A524	T401-A526 PolarHBondContact N-O 3.35Å; T401-A526 PolarHBondContact OG1-O 2.72Å; Y523-A526 WeakPolarHBondContact O-CA 3.43Å; Y523-A526 WeakPolarHBondContact O-CB 3.04Å; Y523-A526 PolarHBondContact O-N 3.44Å; A524-A526 PolarHBondContact O-N 2.85Å
527	S	90.5	Very high	92.5	Very high	53 Å²	53	33.7 Å²	33.7	37%	0.371	18%	0.182	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.5	137.9	-178.6	-48.2	0	0	0	0	111.8	T401 K403	T401-S527 CarbonylContact O-C 3.6Å; T401-S527 WeakPolarHBondContact O-CA 3.41Å; T401-S527 WeakPolarHBondContact OG1-CA 3.37Å; T401-S527 WeakPolarHBondContact OG1-CB 3.47Å; T401-S527 PolarHBondContact OG1-OG 3.36Å; K403-S527 WeakPolarHBondContact CE-O 3.25Å; K403-S527 WeakPolarHBondContact CG-O 3.45Å
528	I	92.5	Very high	92.2	Very high	4 Å²	4	33.3 Å²	33.3	2%	0.021	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.9	161.1	-179.1	64.8	171.6	0	0	0	113.9	V400 T401 P402 K403 I410 L519 Y523 D532	V400-I528 HydrophobicContact CG1-CB 4.38Å; V400-I528 HydrophobicContact CG1-CD1 3.68Å; V400-I528 HydrophobicContact CG1-CG1 3.77Å; V400-I528 HydrophobicContact CG1-CG2 3.78Å; T401-I528 PolarHBondContact O-N 3.27Å; P402-I528 CarbonylContact C-O 3.49Å; P402-I528 WeakPolarHBondContact CA-O 3.4Å; K403-I528 PolarHBondContact N-O 3.17Å; I410-I528 HydrophobicContact CD1-CD1 4.18Å; I410-I528 HydrophobicContact CD1-CG1 4.29Å; I410-I528 HydrophobicContact CG2-CD1 4.1Å; L519-I528 HydrophobicContact CD1-CD1 4.18Å; L519-I528 HydrophobicContact CD2-CD1 4.11Å; L519-I528 HydrophobicContact CG-CD1 4.44Å; Y523-I528 HydrophobicContact CD1-CG2 3.46Å; Y523-I528 VanDerWaalsContact CD1-CG2 3.46Å; Y523-I528 HydrophobicContact CD2-CG2 3.7Å; Y523-I528 HydrophobicContact CE1-CG2 3.94Å; Y523-I528 HydrophobicContact CE2-CG2 4.17Å; Y523-I528 HydrophobicContact CG-CG2 3.31Å; I528-D532 VanDerWaalsContact CA-OD2 3.23Å; I528-D532 WeakPolarHBondContact CA-OD2 3.3Å; I528-D532 HydrophobicContact CB-CB 4.03Å; I528-D532 HydrophobicContact CG2-CB 4.12Å
529	D	89.8	Confident	91.8	Very high	35 Å²	35	35.9 Å²	35.9	19%	0.187	19%	0.186	C	C	.	.			trans	-118.6	179.7	159.2	60.8	54.6	0	0	0	110.9	K403 S407 V531 D532 W533	K403-D529 HydrophobicContact CD-CB 4.02Å; K403-D529 WeakPolarHBondContact CD-OD2 3.33Å; K403-D529 IonicContact NZ-OD2 2.75Å; K403-D529 PolarHBondContact NZ-OD2 2.63Å; S407-D529 WeakPolarHBondContact OG-CB 3.14Å; D529-V531 PolarHBondContact O-N 3.21Å; D529-V531 VanDerWaalsContact OD1-CA 3.3Å; D529-V531 WeakPolarHBondContact OD1-CA 3.44Å; D529-V531 WeakPolarHBondContact OD1-CB 3.49Å; D529-V531 PolarHBondContact OD1-N 3.11Å; D529-D532 PolarHBondContact N-OD2 3.03Å; D529-D532 PolarHBondContact O-N 2.03Å; D529-D532 PolarHBondContact OD1-N 3.09Å; D529-D532 VanDerWaalsContact OD1-N 3.08Å; D529-W533 PolarHBondContact O-N 2.7Å
530	H	87.8	Confident	91.3	Very high	18 Å²	18	36.6 Å²	36.6	8%	0.083	19%	0.192	C	C	.	.	H	α-helix	trans	-66.4	-19.6	179.7	68.4	-86.4	0	0	0	113.6	W409 S475 L534 D567	W409-H530 HydrophobicContact CZ2-CB 3.89Å; S475-H530 VanDerWaalsContact CB-CE1 3.44Å; S475-H530 WeakPolarHBondContact CB-CE1 3.44Å; S475-H530 WeakPolarHBondContact CB-ND1 3.38Å; H530-L534 WeakPolarHBondContact O-CB 3.3Å; H530-L534 VanDerWaalsContact O-CG 3.28Å; H530-L534 WeakPolarHBondContact O-CG 3.31Å; H530-L534 PolarHBondContact O-N 2.73Å; H530-D567 IonicContact NE2-OD1 2.67Å; H530-D567 PolarHBondContact NE2-OD1 3.13Å
531	V	90	Very high	90.7	Very high	50 Å²	50	36.6 Å²	36.6	30%	0.303	19%	0.192	S	C	.	.	H	α-helix	trans	-78.5	-40	176.5	-169.4	0	0	0	0	110.1	D529 W533 L534 N535	D529-V531 PolarHBondContact O-N 3.21Å; D529-V531 VanDerWaalsContact OD1-CA 3.3Å; D529-V531 WeakPolarHBondContact OD1-CA 3.44Å; D529-V531 WeakPolarHBondContact OD1-CB 3.49Å; D529-V531 PolarHBondContact OD1-N 3.11Å; V531-W533 VanDerWaalsContact C-N 3.27Å; V531-W533 PolarHBondContact O-N 2.72Å; V531-L534 PolarHBondContact O-N 2.78Å; V531-N535 WeakPolarHBondContact O-CB 3.4Å; V531-N535 PolarHBondContact O-N 3.41Å; V531-N535 PolarHBondContact O-ND2 3.48Å; V531-N535 PolarHBondContact O-OD1 3.37Å
532	D	92.8	Very high	89.8	Confident	19 Å²	19	34.6 Å²	34.6	10%	0.102	19%	0.187	C	C	.	.	H	α-helix	trans	-56.1	-45.1	169.2	-61.4	-58	0	0	0	111.3	K403 Y523 I528 D529 N535 V536	K403-D532 WeakPolarHBondContact CE-OD2 3.19Å; K403-D532 IonicContact NZ-OD1 3.49Å; K403-D532 PolarHBondContact NZ-OD1 3.42Å; K403-D532 VanDerWaalsContact NZ-OD1 3.13Å; K403-D532 IonicContact NZ-OD2 2.72Å; K403-D532 PolarHBondContact NZ-OD2 3.06Å; Y523-D532 HydrophobicContact CE1-CB 4.28Å; Y523-D532 HydrophobicContact CE2-CB 4.13Å; Y523-D532 WeakPolarHBondContact OH-CB 3.38Å; Y523-D532 PolarHBondContact OH-OD1 2.98Å; Y523-D532 VanDerWaalsContact OH-OD1 3.12Å; I528-D532 VanDerWaalsContact CA-OD2 3.23Å; I528-D532 WeakPolarHBondContact CA-OD2 3.3Å; I528-D532 HydrophobicContact CB-CB 4.03Å; I528-D532 HydrophobicContact CG2-CB 4.12Å; D529-D532 PolarHBondContact N-OD2 3.03Å; D529-D532 PolarHBondContact O-N 2.03Å; D529-D532 PolarHBondContact OD1-N 3.09Å; D529-D532 VanDerWaalsContact OD1-N 3.08Å; D532-N535 PolarHBondContact O-N 2.89Å; D532-V536 PolarHBondContact O-N 3.23Å
533	W	90.9	Very high	88.1	Confident	9 Å²	9	40.5 Å²	40.5	3%	0.034	21%	0.207	C	C	.	.	H	α-helix	trans	-62.5	-46.7	179.2	-171.7	89.9	0	0	0	111.9	L500 I503 L519 D529 V531 N535 V536 L537 F566	L500-W533 HydrophobicContact CD2-CH2 3.66Å; L500-W533 HydrophobicContact CD2-CZ2 3.27Å; I503-W533 HydrophobicContact CD1-CH2 3.67Å; I503-W533 HydrophobicContact CD1-CZ3 3.91Å; I503-W533 HydrophobicContact CG2-CH2 4.28Å; L519-W533 HydrophobicContact CD1-CB 4.5Å; D529-W533 PolarHBondContact O-N 2.7Å; V531-W533 VanDerWaalsContact C-N 3.27Å; V531-W533 PolarHBondContact O-N 2.72Å; W533-N535 VanDerWaalsContact C-N 3.3Å; W533-N535 PolarHBondContact O-N 3.28Å; W533-V536 PolarHBondContact O-N 2.77Å; W533-L537 HydrophobicContact CH2-CD2 3.91Å; W533-L537 HydrophobicContact CZ3-CD2 3.7Å; W533-L537 WeakPolarHBondContact O-CB 3.27Å; W533-L537 PolarHBondContact O-N 3.48Å; W533-F566 HydrophobicContact CE3-CZ 4.24Å; W533-F566 HydrophobicContact CH2-CZ 4.48Å; W533-F566 HydrophobicContact CZ3-CE2 4.11Å; W533-F566 AromaticContact CZ3-CZ 3.76Å; W533-F566 HydrophobicContact CZ3-CZ 3.76Å
534	L	91.1	Very high	86.4	Confident	2 Å²	2	41.1 Å²	41.1	1%	0.01	21%	0.212	C	C	.	.	H	α-helix	trans	-63.1	-34	174.3	-76	171.5	0	0	0	112.8	H530 V531 L537 A538 T559 F562 R563 F566	H530-L534 WeakPolarHBondContact O-CB 3.3Å; H530-L534 VanDerWaalsContact O-CG 3.28Å; H530-L534 WeakPolarHBondContact O-CG 3.31Å; H530-L534 PolarHBondContact O-N 2.73Å; V531-L534 PolarHBondContact O-N 2.78Å; L534-L537 HydrophobicContact CD2-CD2 4.29Å; L534-L537 WeakPolarHBondContact O-CB 2.77Å; L534-L537 PolarHBondContact O-N 2.91Å; L534-A538 WeakPolarHBondContact O-CB 3.35Å; L534-A538 PolarHBondContact O-N 3.22Å; L534-T559 HydrophobicContact CB-CG2 4.13Å; L534-T559 HydrophobicContact CD1-CG2 4.24Å; L534-F562 HydrophobicContact CD2-CB 3.81Å; L534-R563 HydrophobicContact CD1-CB 4.16Å; L534-F566 HydrophobicContact CD1-CD2 4.28Å; L534-F566 HydrophobicContact CD2-CD2 4.39Å; L534-F566 HydrophobicContact CD2-CE2 3.93Å; L534-F566 HydrophobicContact CG-CE2 4.44Å
535	N	91	Very high	84.7	Confident	64 Å²	64	40.2 Å²	40.2	34%	0.342	20%	0.204	S	C	.	.	H	α-helix	trans	-68.4	-42.4	176.5	-69.5	-21.5	0	0	0	111.6	V531 D532 W533 L537 A538 E539	V531-N535 WeakPolarHBondContact O-CB 3.4Å; V531-N535 PolarHBondContact O-N 3.41Å; V531-N535 PolarHBondContact O-ND2 3.48Å; V531-N535 PolarHBondContact O-OD1 3.37Å; D532-N535 PolarHBondContact O-N 2.89Å; W533-N535 VanDerWaalsContact C-N 3.3Å; W533-N535 PolarHBondContact O-N 3.28Å; N535-L537 VanDerWaalsContact C-N 3.32Å; N535-L537 PolarHBondContact O-N 3.39Å; N535-A538 PolarHBondContact O-N 3.24Å; N535-E539 VanDerWaalsContact O-CG 3.3Å; N535-E539 WeakPolarHBondContact O-CG 3.46Å; N535-E539 PolarHBondContact O-N 3.16Å
536	V	92.3	Very high	82.9	Confident	2 Å²	2	41.8 Å²	41.8	1%	0.012	22%	0.221	C	C	.	.	H	α-helix	trans	-65.6	-36.5	173	175.5	0	0	0	0	111.5	V515 L519 K522 Y523 D532 W533 A538 A540	V515-V536 HydrophobicContact CG1-CG1 4.32Å; L519-V536 HydrophobicContact CB-CG1 4.24Å; L519-V536 HydrophobicContact CD1-CB 4.26Å; L519-V536 HydrophobicContact CD1-CG2 4.04Å; K522-V536 HydrophobicContact CD-CG2 3.86Å; Y523-V536 HydrophobicContact CE2-CG2 3.87Å; D532-V536 PolarHBondContact O-N 3.23Å; W533-V536 PolarHBondContact O-N 2.77Å; V536-A538 VanDerWaalsContact C-N 3.35Å; V536-A540 WeakPolarHBondContact O-CB 3.49Å; V536-A540 PolarHBondContact O-N 2.68Å; V536-A540 VanDerWaalsContact O-N 3.08Å
537	L	90.8	Very high	81	Confident	0 Å²	0	47.9 Å²	47.9	0%	0	24%	0.236	C	C	.	.	H	α-helix	trans	-61.8	-41.9	172.2	-177.8	63.9	0	0	0	111.5	I503 I507 V515 W533 L534 N535 T541 A558 F562	I503-L537 HydrophobicContact CG2-CD1 4.12Å; I503-L537 HydrophobicContact CG2-CD2 4.09Å; I507-L537 HydrophobicContact CD1-CD1 3.73Å; V515-L537 HydrophobicContact CG1-CD1 4.47Å; V515-L537 HydrophobicContact CG2-CD1 3.83Å; W533-L537 HydrophobicContact CH2-CD2 3.91Å; W533-L537 HydrophobicContact CZ3-CD2 3.7Å; W533-L537 WeakPolarHBondContact O-CB 3.27Å; W533-L537 PolarHBondContact O-N 3.48Å; L534-L537 HydrophobicContact CD2-CD2 4.29Å; L534-L537 WeakPolarHBondContact O-CB 2.77Å; L534-L537 PolarHBondContact O-N 2.91Å; N535-L537 VanDerWaalsContact C-N 3.32Å; N535-L537 PolarHBondContact O-N 3.39Å; L537-T541 HydrophobicContact CD1-CG2 4.12Å; L537-T541 WeakPolarHBondContact O-CB 3.37Å; L537-T541 VanDerWaalsContact O-CG2 3.22Å; L537-T541 WeakPolarHBondContact O-CG2 3.4Å; L537-T541 PolarHBondContact O-N 3.1Å; L537-T541 VanDerWaalsContact O-N 3.13Å; L537-T541 PolarHBondContact O-OG1 3.38Å; L537-A558 HydrophobicContact CB-CB 4.36Å; L537-A558 HydrophobicContact CD2-CB 4.03Å; L537-A558 HydrophobicContact CG-CB 3.77Å; L537-F562 HydrophobicContact CD2-CD2 3.65Å; L537-F562 HydrophobicContact CD2-CE2 4.14Å; L537-F562 HydrophobicContact CD2-CG 4.45Å
538	A	88	Confident	78.9	Confident	9 Å²	9	49.6 Å²	49.6	7%	0.074	25%	0.245	C	C	.	.	H	α-helix	trans	-64.2	-52.2	174.9	0	0	0	0	0	111.9	L534 N535 V536 A540 T541 D542 A558	L534-A538 WeakPolarHBondContact O-CB 3.35Å; L534-A538 PolarHBondContact O-N 3.22Å; N535-A538 PolarHBondContact O-N 3.24Å; V536-A538 VanDerWaalsContact C-N 3.35Å; A538-A540 PolarHBondContact O-N 3.49Å; A538-A540 VanDerWaalsContact O-N 3.16Å; A538-T541 PolarHBondContact O-N 2.68Å; A538-T541 PolarHBondContact O-OG1 3Å; A538-D542 PolarHBondContact O-N 3.4Å; A538-A558 HydrophobicContact CB-CB 4.14Å
539	E	87.5	Confident	76.5	Confident	107 Å²	107	56.2 Å²	56.2	50%	0.5	28%	0.281	S	S	.	.	H	α-helix	trans	-52.6	-39.6	178.5	-74	166.8	-170.1	0	0	112.7	K522 N535	K522-E539 IonicContact NZ-OE1 3.06Å; K522-E539 PolarHBondContact NZ-OE1 2.67Å; K522-E539 IonicContact NZ-OE2 2.73Å; K522-E539 PolarHBondContact NZ-OE2 2.77Å; N535-E539 VanDerWaalsContact O-CG 3.3Å; N535-E539 WeakPolarHBondContact O-CG 3.46Å; N535-E539 PolarHBondContact O-N 3.16Å
540	A	85.4	Confident	74.9	Confident	16 Å²	16	60.3 Å²	60.3	13%	0.132	30%	0.299	C	S	.	.	H	α-helix	trans	-77.1	-26.7	177.1	0	0	0	0	0	113.9	I511 V515 V536 A538	I511-A540 HydrophobicContact CG2-CB 4.18Å; V515-A540 HydrophobicContact CG2-CB 3.51Å; V536-A540 WeakPolarHBondContact O-CB 3.49Å; V536-A540 PolarHBondContact O-N 2.68Å; V536-A540 VanDerWaalsContact O-N 3.08Å; A538-A540 PolarHBondContact O-N 3.49Å; A538-A540 VanDerWaalsContact O-N 3.16Å
541	T	82.6	Confident	73.3	Confident	0 Å²	0	59.8 Å²	59.8	0%	0	30%	0.297	C	S	.	.	H	α-helix	trans	-101	-15.7	-172.8	55.3	0	0	0	0	114.8	I507 I511 L537 A538 R543 L544 F545	I507-T541 HydrophobicContact CB-CG2 4.37Å; I507-T541 HydrophobicContact CG2-CG2 3.84Å; I511-T541 HydrophobicContact CG2-CG2 3.98Å; L537-T541 HydrophobicContact CD1-CG2 4.12Å; L537-T541 WeakPolarHBondContact O-CB 3.37Å; L537-T541 VanDerWaalsContact O-CG2 3.22Å; L537-T541 WeakPolarHBondContact O-CG2 3.4Å; L537-T541 PolarHBondContact O-N 3.1Å; L537-T541 VanDerWaalsContact O-N 3.13Å; L537-T541 PolarHBondContact O-OG1 3.38Å; A538-T541 PolarHBondContact O-N 2.68Å; A538-T541 PolarHBondContact O-OG1 3Å; T541-R543 PolarHBondContact O-N 3.48Å; T541-R543 VanDerWaalsContact O-N 3.07Å; T541-L544 WeakPolarHBondContact O-CA 3.5Å; T541-L544 WeakPolarHBondContact O-CB 3.44Å; T541-L544 PolarHBondContact O-N 3.03Å; T541-F545 VanDerWaalsContact CB-CE2 3.49Å; T541-F545 VanDerWaalsContact CB-CZ 3.45Å; T541-F545 HydrophobicContact CG2-CE1 4.26Å; T541-F545 HydrophobicContact CG2-CE2 4.27Å; T541-F545 HydrophobicContact CG2-CZ 3.83Å; T541-F545 WeakPolarHBondContact O-CG 3.27Å; T541-F545 PolarHBondContact O-N 3.02Å; T541-F545 WeakPolarHBondContact OG1-CE2 3.47Å
542	D	75.6	Confident	71.4	Confident	79 Å²	79	59.3 Å²	59.3	42%	0.422	30%	0.296	S	S	.	.	H	α-helix	trans	-52.8	-35.1	177.5	-77.9	-24.9	0	0	0	112.5	A538 L544 F545 T546	A538-D542 PolarHBondContact O-N 3.4Å; D542-L544 PolarHBondContact O-N 3.29Å; D542-F545 PolarHBondContact O-N 3.3Å; D542-T546 WeakPolarHBondContact O-CB 3.43Å; D542-T546 VanDerWaalsContact O-CG2 3.28Å; D542-T546 WeakPolarHBondContact O-CG2 3.49Å; D542-T546 PolarHBondContact O-N 3.24Å; D542-T546 PolarHBondContact O-OG1 3.02Å
543	R	61.3	Low	69.5	Low	213 Å²	213	64.2 Å²	64.2	80%	0.804	32%	0.322	S	S	*	.	H	α-helix	trans	-71.6	-22.9	175.9	-61.9	-175.8	-177.7	-170.4	1.2	114.8	T541	T541-R543 PolarHBondContact O-N 3.48Å; T541-R543 VanDerWaalsContact O-N 3.07Å
544	L	58.6	Low	67.8	Low	48 Å²	48	67.4 Å²	67.4	25%	0.251	34%	0.342	S	S	.	.	H	α-helix	trans	-81.5	-46.9	168.1	-70.5	-178.5	0	0	0	110.2	I511 T541 D542 R547	I511-L544 HydrophobicContact CB-CD1 4.33Å; I511-L544 HydrophobicContact CD1-CD1 3.94Å; I511-L544 HydrophobicContact CD1-CD2 4.13Å; I511-L544 HydrophobicContact CD1-CG 4.32Å; I511-L544 HydrophobicContact CG1-CD1 3.79Å; I511-L544 HydrophobicContact CG1-CD2 4.46Å; I511-L544 HydrophobicContact CG1-CG 4.15Å; I511-L544 HydrophobicContact CG2-CD1 4.36Å; T541-L544 WeakPolarHBondContact O-CA 3.5Å; T541-L544 WeakPolarHBondContact O-CB 3.44Å; T541-L544 PolarHBondContact O-N 3.03Å; D542-L544 PolarHBondContact O-N 3.29Å; L544-R547 WeakPolarHBondContact O-CB 3.39Å; L544-R547 WeakPolarHBondContact O-CG 3.16Å; L544-R547 PolarHBondContact O-N 3.06Å
545	F	59	Low	66.4	Low	7 Å²	7	68.3 Å²	68.3	3%	0.031	35%	0.346	C	S	.	.	H	α-helix	trans	-74.6	-32.9	-166.1	-63.4	-8.5	0	0	0	111.9	T541 D542 R547 L551 S552 A558	T541-F545 VanDerWaalsContact CB-CE2 3.49Å; T541-F545 VanDerWaalsContact CB-CZ 3.45Å; T541-F545 HydrophobicContact CG2-CE1 4.26Å; T541-F545 HydrophobicContact CG2-CE2 4.27Å; T541-F545 HydrophobicContact CG2-CZ 3.83Å; T541-F545 WeakPolarHBondContact O-CG 3.27Å; T541-F545 PolarHBondContact O-N 3.02Å; T541-F545 WeakPolarHBondContact OG1-CE2 3.47Å; D542-F545 PolarHBondContact O-N 3.3Å; F545-R547 PolarHBondContact O-N 2.82Å; F545-R547 VanDerWaalsContact O-N 3.1Å; F545-L551 HydrophobicContact CB-CB 4.34Å; F545-L551 HydrophobicContact CD1-CB 3.42Å; F545-L551 VanDerWaalsContact CD1-CB 3.42Å; F545-L551 HydrophobicContact CD1-CD2 4.03Å; F545-L551 HydrophobicContact CD1-CG 4.19Å; F545-L551 HydrophobicContact CD2-CB 4.48Å; F545-L551 HydrophobicContact CE1-CB 3.77Å; F545-L551 HydrophobicContact CE1-CD1 4.23Å; F545-L551 HydrophobicContact CE1-CD2 3.45Å; F545-L551 VanDerWaalsContact CE1-CD2 3.45Å; F545-L551 HydrophobicContact CE1-CG 4Å; F545-L551 HydrophobicContact CE2-CD2 4.02Å; F545-L551 HydrophobicContact CG-CB 3.84Å; F545-L551 HydrophobicContact CZ-CB 4.41Å; F545-L551 HydrophobicContact CZ-CD2 3.44Å; F545-L551 VanDerWaalsContact CZ-CD2 3.44Å; F545-L551 HydrophobicContact CZ-CG 4.44Å; F545-S552 WeakPolarHBondContact O-CB 3.49Å; F545-S552 PolarHBondContact O-N 2.83Å; F545-S552 PolarHBondContact O-OG 2.83Å; F545-A558 HydrophobicContact CE2-CB 4Å
546	T	51.5	Low	65.5	Low	105 Å²	105	66.8 Å²	66.8	64%	0.644	35%	0.346	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.9	-8.5	170.7	46.8	0	0	0	0	114.9	D542	D542-T546 WeakPolarHBondContact O-CB 3.43Å; D542-T546 VanDerWaalsContact O-CG2 3.28Å; D542-T546 WeakPolarHBondContact O-CG2 3.49Å; D542-T546 PolarHBondContact O-N 3.24Å; D542-T546 PolarHBondContact O-OG1 3.02Å
547	R	52.3	Low	64.7	Low	165 Å²	165	69.8 Å²	69.8	62%	0.623	36%	0.362	S	S	*	.	S	Bend	trans	-74	128.6	169	-62.1	-177.2	177.2	-165.1	-3.1	109.7	L544 F545 N549	L544-R547 WeakPolarHBondContact O-CB 3.39Å; L544-R547 WeakPolarHBondContact O-CG 3.16Å; L544-R547 PolarHBondContact O-N 3.06Å; F545-R547 PolarHBondContact O-N 2.82Å; F545-R547 VanDerWaalsContact O-N 3.1Å; R547-N549 PolarHBondContact O-N 3.07Å
548	P	45.9	Very low	64.2	Low	89 Å²	89	69.8 Å²	69.8	58%	0.578	36%	0.362	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.5	-22.5	-169.3	-31.2	36.4	0	0	0	117.5	N553	P548-N553 PolarHBondContact O-ND2 2.94Å
549	N	43.2	Very low	64	Low	143 Å²	143	70.6 Å²	70.6	77%	0.765	37%	0.366	S	S	*	.	T	Hydrogen-bonded Turn	trans	-114.9	24.2	-164.4	-63.7	6.8	0	0	0	114.5	R547	R547-N549 PolarHBondContact O-N 3.07Å
550	Q	56	Low	63.8	Low	122 Å²	122	69.3 Å²	69.3	57%	0.57	37%	0.366	S	S	*	.	T	Hydrogen-bonded Turn	trans	-131.1	-61.8	178.9	-73.6	-66.5	-77.7	0	0	116.5
551	L	53.5	Low	63.8	Low	6 Å²	6	68.5 Å²	68.5	3%	0.031	36%	0.359	C	S	.	.	S	Bend	trans	-138.4	-47.6	-170.1	-109.3	95.8	0	0	0	117.9	V506 F545 N553 V554 M555 I561 W623	V506-L551 HydrophobicContact CG1-CD1 4.44Å; V506-L551 HydrophobicContact CG1-CD2 4.35Å; F545-L551 HydrophobicContact CB-CB 4.34Å; F545-L551 HydrophobicContact CD1-CB 3.42Å; F545-L551 VanDerWaalsContact CD1-CB 3.42Å; F545-L551 HydrophobicContact CD1-CD2 4.03Å; F545-L551 HydrophobicContact CD1-CG 4.19Å; F545-L551 HydrophobicContact CD2-CB 4.48Å; F545-L551 HydrophobicContact CE1-CB 3.77Å; F545-L551 HydrophobicContact CE1-CD1 4.23Å; F545-L551 HydrophobicContact CE1-CD2 3.45Å; F545-L551 VanDerWaalsContact CE1-CD2 3.45Å; F545-L551 HydrophobicContact CE1-CG 4Å; F545-L551 HydrophobicContact CE2-CD2 4.02Å; F545-L551 HydrophobicContact CG-CB 3.84Å; F545-L551 HydrophobicContact CZ-CB 4.41Å; F545-L551 HydrophobicContact CZ-CD2 3.44Å; F545-L551 VanDerWaalsContact CZ-CD2 3.44Å; F545-L551 HydrophobicContact CZ-CG 4.44Å; L551-N553 PolarHBondContact O-N 3.4Å; L551-V554 PolarHBondContact O-N 3.17Å; L551-M555 HydrophobicContact CD2-CE 4.3Å; L551-M555 HydrophobicContact CG-CE 4.35Å; L551-M555 PolarHBondContact O-N 2.71Å; L551-I561 HydrophobicContact CD2-CD1 3.56Å; L551-I561 HydrophobicContact CG-CD1 4.5Å; L551-W623 HydrophobicContact CD1-CZ2 4.03Å; L551-W623 HydrophobicContact CD2-CH2 4.5Å; L551-W623 HydrophobicContact CD2-CZ2 3.87Å; L551-W623 HydrophobicContact CG-CZ2 4.18Å
552	S	49.6	Very low	64.2	Low	40 Å²	40	68.5 Å²	68.5	28%	0.28	36%	0.359	S	S	.	.	H	α-helix	trans	-57.7	-47.1	-171.8	58.2	0	0	0	0	112.9	F545 V554 M555 G556	F545-S552 WeakPolarHBondContact O-CB 3.49Å; F545-S552 PolarHBondContact O-N 2.83Å; F545-S552 PolarHBondContact O-OG 2.83Å; S552-V554 PolarHBondContact O-N 2.98Å; S552-M555 PolarHBondContact O-N 2.76Å; S552-G556 PolarHBondContact O-N 2.86Å; S552-G556 VanDerWaalsContact O-N 3.11Å
553	N	54	Low	64.8	Low	123 Å²	123	70.5 Å²	70.5	66%	0.658	36%	0.361	S	S	*	.	H	α-helix	trans	-61.2	-7.6	177.9	-73.9	-16	0	0	0	114.6	P548 L551	P548-N553 PolarHBondContact O-ND2 2.94Å; L551-N553 PolarHBondContact O-N 3.4Å
554	V	55.1	Low	66.1	Low	75 Å²	75	61.4 Å²	61.4	46%	0.455	33%	0.333	S	S	.	.	H	α-helix	trans	-106.3	-41.3	-176.7	-163.3	0	0	0	0	112.2	L551 S552 W623	L551-V554 PolarHBondContact O-N 3.17Å; S552-V554 PolarHBondContact O-N 2.98Å; V554-W623 HydrophobicContact CG1-CB 4.32Å
555	M	61.6	Low	67.8	Low	21 Å²	21	59.2 Å²	59.2	10%	0.103	32%	0.321	C	S	.	.	H	α-helix	trans	-149.8	6.2	-170.2	-54	169.1	-72.3	0	0	116	L551 S552 T560 I561 N606 W623	L551-M555 HydrophobicContact CD2-CE 4.3Å; L551-M555 HydrophobicContact CG-CE 4.35Å; L551-M555 PolarHBondContact O-N 2.71Å; S552-M555 PolarHBondContact O-N 2.76Å; M555-T560 PolarHBondContact O-OG1 3.31Å; M555-T560 VanDerWaalsContact O-OG1 3.04Å; M555-I561 HydrophobicContact CB-CD1 4Å; M555-I561 HydrophobicContact CB-CG1 3.63Å; M555-I561 HydrophobicContact CE-CD1 3.69Å; M555-I561 HydrophobicContact CE-CG1 3.95Å; M555-I561 HydrophobicContact CE-CG2 4.3Å; M555-I561 HydrophobicContact SD-CG1 4.2Å; M555-N606 HydrophobicContact SD-CB 3.85Å; M555-W623 HydrophobicContact CE-CB 4.24Å; M555-W623 HydrophobicContact CE-CD2 3.17Å; M555-W623 VanDerWaalsContact CE-CE2 3.4Å; M555-W623 HydrophobicContact CE-CE3 3.32Å; M555-W623 HydrophobicContact CE-CG 3.61Å; M555-W623 HydrophobicContact CE-CH2 3.88Å; M555-W623 HydrophobicContact CE-CZ2 3.77Å; M555-W623 HydrophobicContact CE-CZ3 3.66Å; M555-W623 HydrophobicContact SD-CB 4.19Å; M555-W623 HydrophobicContact SD-CD2 3.82Å; M555-W623 HydrophobicContact SD-CE3 3.49Å; M555-W623 HydrophobicContact SD-CG 4.14Å; M555-W623 HydrophobicContact SD-CZ3 4Å
556	G	70.8	Confident	69.3	Low	33 Å²	33	58.9 Å²	58.9	34%	0.34	32%	0.32	S	S	.	.			trans	88.2	-140.2	-175.3	0	0	0	0	0	114	S552	S552-G556 PolarHBondContact O-N 2.86Å; S552-G556 VanDerWaalsContact O-N 3.11Å
557	N	77.4	Confident	71	Confident	65 Å²	65	56.1 Å²	56.1	35%	0.348	30%	0.301	S	S	.	.	S	Bend	trans	-98.3	174.2	-171.6	73.5	10.9	0	0	0	112.9	T559 T560 I561	N557-T559 PolarHBondContact O-N 2.7Å; N557-T559 WeakPolarHBondContact OD1-CB 3.41Å; N557-T559 PolarHBondContact OD1-N 2.88Å; N557-T560 PolarHBondContact N-OG1 2.94Å; N557-T560 VanDerWaalsContact N-OG1 3.09Å; N557-T560 PolarHBondContact O-N 2.82Å; N557-T560 PolarHBondContact O-OG1 3.31Å; N557-T560 VanDerWaalsContact O-OG1 3.05Å; N557-T560 PolarHBondContact OD1-N 2.73Å; N557-T560 PolarHBondContact OD1-OG1 3.17Å; N557-I561 WeakPolarHBondContact O-CD1 3.25Å; N557-I561 VanDerWaalsContact O-CG1 3.31Å; N557-I561 WeakPolarHBondContact O-CG1 3.43Å; N557-I561 PolarHBondContact O-N 3.21Å; N557-I561 VanDerWaalsContact O-N 3.09Å
558	A	80.4	Confident	72.6	Confident	0 Å²	0	48.8 Å²	48.8	0%	0	27%	0.274	C	S	.	.	H	α-helix	trans	-55.7	-39.3	-179.5	0	0	0	0	0	112.7	L537 A538 F545 I561 F562	L537-A558 HydrophobicContact CB-CB 4.36Å; L537-A558 HydrophobicContact CD2-CB 4.03Å; L537-A558 HydrophobicContact CG-CB 3.77Å; A538-A558 HydrophobicContact CB-CB 4.14Å; F545-A558 HydrophobicContact CE2-CB 4Å; A558-I561 PolarHBondContact O-N 3.09Å; A558-F562 HydrophobicContact CB-CD2 4.37Å; A558-F562 WeakPolarHBondContact O-CD2 3.1Å; A558-F562 PolarHBondContact O-N 3.23Å
559	T	83.2	Confident	74.6	Confident	25 Å²	25	45.5 Å²	45.5	15%	0.153	25%	0.253	C	S	.	.	H	α-helix	trans	-64.8	-43.5	179.8	-47.1	0	0	0	0	111.8	L534 N557 I561 R563	L534-T559 HydrophobicContact CB-CG2 4.13Å; L534-T559 HydrophobicContact CD1-CG2 4.24Å; N557-T559 PolarHBondContact O-N 2.7Å; N557-T559 WeakPolarHBondContact OD1-CB 3.41Å; N557-T559 PolarHBondContact OD1-N 2.88Å; T559-I561 VanDerWaalsContact C-N 3.34Å; T559-R563 WeakPolarHBondContact O-CB 3.33Å; T559-R563 PolarHBondContact O-N 3.42Å
560	T	82.4	Confident	76.9	Confident	80 Å²	80	38.8 Å²	38.8	49%	0.491	22%	0.217	S	C	.	.	H	α-helix	trans	-70	-30.9	176.6	54.8	0	0	0	0	112.9	M555 N557 N606	M555-T560 PolarHBondContact O-OG1 3.31Å; M555-T560 VanDerWaalsContact O-OG1 3.04Å; N557-T560 PolarHBondContact N-OG1 2.94Å; N557-T560 VanDerWaalsContact N-OG1 3.09Å; N557-T560 PolarHBondContact O-N 2.82Å; N557-T560 PolarHBondContact O-OG1 3.31Å; N557-T560 VanDerWaalsContact O-OG1 3.05Å; N557-T560 PolarHBondContact OD1-N 2.73Å; N557-T560 PolarHBondContact OD1-OG1 3.17Å; T560-N606 PolarHBondContact O-ND2 3.41Å
561	I	86.2	Confident	78.7	Confident	0 Å²	0	33 Å²	33	0%	0	19%	0.19	C	C	.	.	H	α-helix	trans	-74.2	-53.9	179	-66.5	164.9	0	0	0	111	L551 M555 N557 A558 T559 N606 W623	L551-I561 HydrophobicContact CD2-CD1 3.56Å; L551-I561 HydrophobicContact CG-CD1 4.5Å; M555-I561 HydrophobicContact CB-CD1 4Å; M555-I561 HydrophobicContact CB-CG1 3.63Å; M555-I561 HydrophobicContact CE-CD1 3.69Å; M555-I561 HydrophobicContact CE-CG1 3.95Å; M555-I561 HydrophobicContact CE-CG2 4.3Å; M555-I561 HydrophobicContact SD-CG1 4.2Å; N557-I561 WeakPolarHBondContact O-CD1 3.25Å; N557-I561 VanDerWaalsContact O-CG1 3.31Å; N557-I561 WeakPolarHBondContact O-CG1 3.43Å; N557-I561 PolarHBondContact O-N 3.21Å; N557-I561 VanDerWaalsContact O-N 3.09Å; A558-I561 PolarHBondContact O-N 3.09Å; T559-I561 VanDerWaalsContact C-N 3.34Å; I561-N606 HydrophobicContact CG2-CB 4.26Å; I561-W623 HydrophobicContact CG2-CH2 3.85Å; I561-W623 HydrophobicContact CG2-CZ3 3.88Å
562	F	90.4	Very high	80.6	Confident	0 Å²	0	32.7 Å²	32.7	0%	0	19%	0.188	C	C	.	.	H	α-helix	trans	-92.2	-16.3	-166.3	-66	-62.2	0	0	0	115.5	I503 V506 L534 L537 A558 G564 W565 F566 W623	I503-F562 HydrophobicContact CD1-CB 4.31Å; I503-F562 HydrophobicContact CD1-CD1 3.92Å; I503-F562 HydrophobicContact CD1-CD2 4.48Å; I503-F562 HydrophobicContact CD1-CE1 4.36Å; I503-F562 HydrophobicContact CD1-CG 3.98Å; I503-F562 HydrophobicContact CG1-CD1 3.64Å; I503-F562 HydrophobicContact CG1-CD2 4.41Å; I503-F562 HydrophobicContact CG1-CE1 3.59Å; I503-F562 HydrophobicContact CG1-CE2 4.34Å; I503-F562 HydrophobicContact CG1-CG 4.07Å; I503-F562 HydrophobicContact CG1-CZ 3.93Å; I503-F562 HydrophobicContact CG2-CE2 4.46Å; I503-F562 HydrophobicContact CG2-CZ 4.49Å; V506-F562 HydrophobicContact CB-CZ 4.08Å; V506-F562 HydrophobicContact CG1-CZ 3.93Å; V506-F562 HydrophobicContact CG2-CE1 4.45Å; V506-F562 HydrophobicContact CG2-CZ 4.16Å; L534-F562 HydrophobicContact CD2-CB 3.81Å; L537-F562 HydrophobicContact CD2-CD2 3.65Å; L537-F562 HydrophobicContact CD2-CE2 4.14Å; L537-F562 HydrophobicContact CD2-CG 4.45Å; A558-F562 HydrophobicContact CB-CD2 4.37Å; A558-F562 WeakPolarHBondContact O-CD2 3.1Å; A558-F562 PolarHBondContact O-N 3.23Å; F562-G564 PolarHBondContact O-N 2.91Å; F562-G564 VanDerWaalsContact O-N 3.15Å; F562-W565 WeakPolarHBondContact O-CB 3.44Å; F562-W565 PolarHBondContact O-N 3.37Å; F562-F566 HydrophobicContact CB-CE2 4.16Å; F562-F566 VanDerWaalsContact O-CD2 3.28Å; F562-F566 WeakPolarHBondContact O-CD2 3.32Å; F562-F566 WeakPolarHBondContact O-CE2 3.23Å; F562-W623 HydrophobicContact CE1-CH2 4.43Å; F562-W623 HydrophobicContact CZ-CH2 4.33Å
563	R	88.3	Confident	82.8	Confident	121 Å²	121	31.4 Å²	31.4	46%	0.457	18%	0.178	S	C	.	.	G	3₁₀ helix	trans	-53.5	-37.7	-179.7	179	174.1	-174.1	148.3	18.4	114.2	L534 T559 W565 F566 D567	L534-R563 HydrophobicContact CD1-CB 4.16Å; T559-R563 WeakPolarHBondContact O-CB 3.33Å; T559-R563 PolarHBondContact O-N 3.42Å; R563-W565 PolarHBondContact O-N 3.04Å; R563-W565 VanDerWaalsContact O-N 3.09Å; R563-F566 PolarHBondContact O-N 3Å; R563-F566 VanDerWaalsContact O-N 3.09Å; R563-D567 WeakPolarHBondContact CG-OD2 3.24Å; R563-D567 IonicContact CZ-OD2 3.88Å; R563-D567 IonicContact NE-OD2 2.68Å; R563-D567 PolarHBondContact NE-OD2 2.75Å; R563-D567 IonicContact NH2-OD2 3.27Å; R563-D567 PolarHBondContact NH2-OD2 3.06Å; R563-D567 VanDerWaalsContact NH2-OD2 3.08Å; R563-D567 PolarHBondContact O-N 3.15Å; R563-D567 VanDerWaalsContact O-N 3.15Å
564	G	89.1	Confident	84.8	Confident	21 Å²	21	25.6 Å²	25.6	22%	0.216	15%	0.147	C	C	.	.	G	3₁₀ helix	trans	-63.8	-9.2	177.7	0	0	0	0	0	115.2	F562 Q568 W605	F562-G564 PolarHBondContact O-N 2.91Å; F562-G564 VanDerWaalsContact O-N 3.15Å; G564-Q568 WeakPolarHBondContact O-CG 3.3Å; G564-Q568 PolarHBondContact O-NE2 3.2Å; G564-W605 PolarHBondContact O-NE1 3.15Å; G564-W605 VanDerWaalsContact O-NE1 3.09Å
565	W	93	Very high	86.8	Confident	2 Å²	2	24.2 Å²	24.2	1%	0.008	14%	0.139	C	C	.	.	G	3₁₀ helix	trans	-93.1	-17.1	175.4	-62.3	90.4	0	0	0	113.1	I499 M502 F562 R563 P572 W605 N606 V607 Y651	I499-W565 HydrophobicContact CD1-CB 4.07Å; I499-W565 HydrophobicContact CD1-CE3 4.49Å; I499-W565 WeakPolarHBondContact CD1-O 3.31Å; I499-W565 HydrophobicContact CG1-CB 4.34Å; I499-W565 HydrophobicContact CG1-CE3 4.28Å; I499-W565 HydrophobicContact CG2-CB 3.97Å; M502-W565 HydrophobicContact CE-CD2 3.66Å; M502-W565 HydrophobicContact CE-CE3 3.94Å; M502-W565 HydrophobicContact CE-CG 4.17Å; M502-W565 HydrophobicContact CE-CH2 4.13Å; M502-W565 HydrophobicContact CE-CZ2 3.87Å; M502-W565 HydrophobicContact CE-CZ3 4.17Å; M502-W565 HydrophobicContact SD-CH2 4.21Å; M502-W565 HydrophobicContact SD-CZ2 4.19Å; F562-W565 WeakPolarHBondContact O-CB 3.44Å; F562-W565 PolarHBondContact O-N 3.37Å; R563-W565 PolarHBondContact O-N 3.04Å; R563-W565 VanDerWaalsContact O-N 3.09Å; W565-P572 HydrophobicContact CH2-CG 3.68Å; W565-P572 HydrophobicContact CZ2-CG 4.47Å; W565-P572 HydrophobicContact CZ3-CG 4.26Å; W565-W605 AromaticContact CD2-CD1 3.57Å; W565-W605 HydrophobicContact CD2-CG 4.48Å; W565-W605 AromaticContact CE2-CD1 3.71Å; W565-W605 AromaticContact CE3-CD1 3.69Å; W565-W605 HydrophobicContact CH2-CB 4.36Å; W565-W605 HydrophobicContact CH2-CG 4.32Å; W565-W605 HydrophobicContact CZ2-CB 3.85Å; W565-W605 HydrophobicContact CZ2-CG 4.17Å; W565-W605 AromaticContact CZ3-CD1 3.94Å; W565-N606 PolarHBondContact NE1-O 3.22Å; W565-N606 VanDerWaalsContact NE1-O 3.11Å; W565-V607 HydrophobicContact CH2-CG1 4.36Å; W565-V607 HydrophobicContact CH2-CG2 4.43Å; W565-V607 HydrophobicContact CZ2-CB 4.39Å; W565-V607 HydrophobicContact CZ2-CG1 4.26Å; W565-V607 HydrophobicContact CZ2-CG2 4.08Å; W565-Y651 HydrophobicContact CE3-CD1 4.22Å; W565-Y651 HydrophobicContact CZ3-CD1 4.02Å; W565-Y651 VanDerWaalsContact CZ3-O 3.25Å; W565-Y651 WeakPolarHBondContact CZ3-O 3.42Å
566	F	90.9	Very high	88.5	Confident	0 Å²	0	23.2 Å²	23.2	0%	0	13%	0.134	C	C	.	.	T	Hydrogen-bonded Turn	trans	-102.2	-37	179.6	-55.7	-73.6	0	0	0	112.8	W409 L474 S475 I499 I503 W533 L534 F562 R563 Q568	W409-F566 AromaticContact CH2-CD1 3.34Å; W409-F566 HydrophobicContact CH2-CD1 3.34Å; W409-F566 AromaticContact CH2-CE1 3.29Å; W409-F566 HydrophobicContact CH2-CE1 3.29Å; W409-F566 HydrophobicContact CH2-CG 4.48Å; W409-F566 HydrophobicContact CH2-CZ 4.38Å; W409-F566 AromaticContact CZ2-CD1 3.56Å; W409-F566 HydrophobicContact CZ2-CD1 3.56Å; W409-F566 HydrophobicContact CZ2-CE1 4.02Å; W409-F566 HydrophobicContact CZ2-CG 4.44Å; W409-F566 HydrophobicContact CZ3-CD1 4.2Å; W409-F566 AromaticContact CZ3-CE1 3.94Å; W409-F566 HydrophobicContact CZ3-CE1 3.94Å; L474-F566 HydrophobicContact CB-CD1 4.34Å; L474-F566 HydrophobicContact CD1-CD1 3.57Å; L474-F566 HydrophobicContact CD1-CE1 4.02Å; L474-F566 PolarHBondContact N-O 2.84Å; L474-F566 VanDerWaalsContact N-O 3.09Å; S475-F566 PolarHBondContact N-O 2.76Å; S475-F566 PolarHBondContact OG-O 3.15Å; I499-F566 HydrophobicContact CG2-CE1 3.92Å; I499-F566 HydrophobicContact CG2-CZ 3.78Å; I503-F566 HydrophobicContact CD1-CE2 4.43Å; I503-F566 HydrophobicContact CD1-CZ 4Å; W533-F566 HydrophobicContact CE3-CZ 4.24Å; W533-F566 HydrophobicContact CH2-CZ 4.48Å; W533-F566 HydrophobicContact CZ3-CE2 4.11Å; W533-F566 AromaticContact CZ3-CZ 3.76Å; W533-F566 HydrophobicContact CZ3-CZ 3.76Å; L534-F566 HydrophobicContact CD1-CD2 4.28Å; L534-F566 HydrophobicContact CD2-CD2 4.39Å; L534-F566 HydrophobicContact CD2-CE2 3.93Å; L534-F566 HydrophobicContact CG-CE2 4.44Å; F562-F566 HydrophobicContact CB-CE2 4.16Å; F562-F566 VanDerWaalsContact O-CD2 3.28Å; F562-F566 WeakPolarHBondContact O-CD2 3.32Å; F562-F566 WeakPolarHBondContact O-CE2 3.23Å; R563-F566 PolarHBondContact O-N 3Å; R563-F566 VanDerWaalsContact O-N 3.09Å; F566-Q568 PolarHBondContact O-N 3.37Å
567	D	87.4	Confident	89.7	Confident	47 Å²	47	24.7 Å²	24.7	25%	0.251	14%	0.136	S	C	.	.	S	Bend	trans	-84.7	3.3	-169	-81.2	2.2	0	0	0	115.8	S475 H530 R563	S475-D567 WeakPolarHBondContact OG-CA 3.34Å; S475-D567 PolarHBondContact OG-OD1 3.21Å; H530-D567 IonicContact NE2-OD1 2.67Å; H530-D567 PolarHBondContact NE2-OD1 3.13Å; R563-D567 WeakPolarHBondContact CG-OD2 3.24Å; R563-D567 IonicContact CZ-OD2 3.88Å; R563-D567 IonicContact NE-OD2 2.68Å; R563-D567 PolarHBondContact NE-OD2 2.75Å; R563-D567 IonicContact NH2-OD2 3.27Å; R563-D567 PolarHBondContact NH2-OD2 3.06Å; R563-D567 VanDerWaalsContact NH2-OD2 3.08Å; R563-D567 PolarHBondContact O-N 3.15Å; R563-D567 VanDerWaalsContact O-N 3.15Å
568	Q	86.8	Confident	90.4	Very high	12 Å²	12	22.2 Å²	22.2	6%	0.056	12%	0.122	C	C	.	.	S	Bend	trans	-146.4	152.4	-178.8	53.9	-171.3	7.8	0	0	113.8	K495 G564 F566 R603 W605	K495-Q568 PolarHBondContact NZ-O 3.5Å; G564-Q568 WeakPolarHBondContact O-CG 3.3Å; G564-Q568 PolarHBondContact O-NE2 3.2Å; F566-Q568 PolarHBondContact O-N 3.37Å; Q568-R603 VanDerWaalsContact CD-O 3.3Å; Q568-R603 PolarHBondContact NE2-O 2.96Å; Q568-R603 PolarHBondContact OE1-O 3.24Å; Q568-W605 HydrophobicContact CG-CZ2 4.31Å
569	P	87.5	Confident	91.1	Very high	19 Å²	19	26.3 Å²	26.3	12%	0.123	14%	0.141	C	C	.	.	S	Bend	trans	-73.7	176.6	169.7	37.8	-37.4	0	0	0	110	S471 Y602	S471-P569 WeakPolarHBondContact O-CB 3.12Å; S471-P569 WeakPolarHBondContact OG-CB 3.36Å; P569-Y602 HydrophobicContact CG-CD1 4.45Å; P569-Y602 HydrophobicContact CG-CE1 3.54Å
570	T	90.4	Very high	91.5	Very high	2 Å²	2	27.2 Å²	27.2	1%	0.012	14%	0.142	C	C	.	.	S	Bend	trans	53.4	-176.4	-177.7	-169.7	0	0	0	0	113.9	D466 K495 P591 V592 Y602 W605	D466-T570 VanDerWaalsContact CG-CA 3.5Å; D466-T570 WeakPolarHBondContact O-CA 3.3Å; D466-T570 WeakPolarHBondContact O-CB 3.45Å; D466-T570 WeakPolarHBondContact OD1-CA 3.04Å; D466-T570 PolarHBondContact OD1-N 2.83Å; D466-T570 VanDerWaalsContact OD2-C 3.25Å; D466-T570 WeakPolarHBondContact OD2-CA 3.21Å; K495-T570 PolarHBondContact NZ-O 3.12Å; K495-T570 VanDerWaalsContact NZ-O 3.1Å; T570-P591 HydrophobicContact CG2-CB 4.08Å; T570-V592 PolarHBondContact OG1-N 2.99Å; T570-V592 PolarHBondContact OG1-O 3.47Å; T570-Y602 HydrophobicContact CG2-CD2 4.28Å; T570-Y602 HydrophobicContact CG2-CE1 4.3Å; T570-Y602 HydrophobicContact CG2-CE2 3.72Å; T570-W605 HydrophobicContact CG2-CH2 4.11Å; T570-W605 HydrophobicContact CG2-CZ2 4.36Å; T570-W605 WeakPolarHBondContact O-CZ2 3.46Å
571	Y	93.9	Very high	91.9	Very high	1 Å²	1	30.4 Å²	30.4	0%	0.004	15%	0.151	C	C	.	.			trans	-149.7	163.7	-171.1	62.5	-91.8	0	0	0	109.2	L463 D466 A467 V592 Y651 R653	L463-Y571 HydrophobicContact CB-CE1 4.15Å; L463-Y571 HydrophobicContact CD2-CD1 3.78Å; L463-Y571 HydrophobicContact CD2-CD2 3.59Å; L463-Y571 HydrophobicContact CD2-CE1 3.8Å; L463-Y571 HydrophobicContact CD2-CE2 3.59Å; L463-Y571 HydrophobicContact CD2-CG 3.67Å; L463-Y571 WeakPolarHBondContact O-CE1 3.48Å; L463-Y571 PolarHBondContact O-OH 3.46Å; D466-Y571 HydrophobicContact CB-CD1 3.93Å; D466-Y571 HydrophobicContact CB-CE1 4.25Å; A467-Y571 HydrophobicContact CB-CE1 4.14Å; Y571-V592 HydrophobicContact CD2-CG2 3.97Å; Y571-V592 HydrophobicContact CE1-CB 4.28Å; Y571-V592 HydrophobicContact CE1-CG1 4.4Å; Y571-V592 HydrophobicContact CE1-CG2 4.48Å; Y571-V592 HydrophobicContact CE2-CB 4.05Å; Y571-V592 HydrophobicContact CE2-CG2 3.38Å; Y571-V592 PolarHBondContact O-N 3.14Å; Y571-Y651 HydrophobicContact CD1-CE1 4.43Å; Y571-Y651 HydrophobicContact CG-CE1 4.34Å; Y571-R653 HydrophobicContact CE2-CB 4.13Å; Y571-R653 HydrophobicContact CE2-CG 3.84Å; Y571-R653 PolarHBondContact OH-NH1 3.34Å
572	P	94.6	Very high	92.2	Very high	0 Å²	0	32.7 Å²	32.7	0%	0	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.6	132.2	-178	24.7	-25.5	0	0	0	111.9	W565 L574 Q589 A590 W605 V607 Y652	W565-P572 HydrophobicContact CH2-CG 3.68Å; W565-P572 HydrophobicContact CZ2-CG 4.47Å; W565-P572 HydrophobicContact CZ3-CG 4.26Å; P572-L574 HydrophobicContact CB-CD2 4.47Å; P572-Q589 HydrophobicContact CB-CB 4.18Å; P572-A590 CarbonylContact C-O 3.58Å; P572-A590 WeakPolarHBondContact CA-O 3.46Å; P572-W605 HydrophobicContact CB-CD2 4.21Å; P572-W605 HydrophobicContact CB-CE3 3.66Å; P572-W605 HydrophobicContact CB-CZ3 4.07Å; P572-W605 HydrophobicContact CG-CB 4.3Å; P572-W605 HydrophobicContact CG-CD2 4.01Å; P572-W605 HydrophobicContact CG-CE3 3.99Å; P572-W605 HydrophobicContact CG-CG 4.16Å; P572-V607 HydrophobicContact CB-CG2 4.27Å; P572-V607 HydrophobicContact CG-CG1 4.49Å; P572-V607 HydrophobicContact CG-CG2 3.75Å; P572-Y652 VanDerWaalsContact O-CB 3.26Å; P572-Y652 WeakPolarHBondContact O-CB 3.22Å
573	L	94.9	Very high	92.3	Very high	13 Å²	13	33 Å²	33	7%	0.068	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.9	117.4	150.5	178.7	55.1	0	0	0	107.8	Q589 A590 V592 Q655 L690 K695	L573-Q589 WeakPolarHBondContact O-CA 3.46Å; L573-A590 PolarHBondContact N-O 3.47Å; L573-A590 PolarHBondContact O-N 3.27Å; L573-V592 HydrophobicContact CB-CG2 3.73Å; L573-Q655 HydrophobicContact CD1-CB 4Å; L573-L690 HydrophobicContact CD1-CD2 3.81Å; L573-L690 HydrophobicContact CD2-CD2 4.21Å; L573-K695 HydrophobicContact CD2-CD 3.72Å
574	L	96.7	Very high	92.5	Very high	0 Å²	0	29.9 Å²	29.9	0%	0	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84	132.6	168.6	-61.5	-177.1	0	0	0	109.6	P572 K588 Q589 V607 I609 L624 Y652 R653 V654 Q655	P572-L574 HydrophobicContact CB-CD2 4.47Å; L574-K588 WeakPolarHBondContact CA-O 3.49Å; L574-Q589 HydrophobicContact CD2-CB 4.12Å; L574-V607 HydrophobicContact CD1-CG1 4.3Å; L574-V607 HydrophobicContact CD2-CG1 4.23Å; L574-V607 HydrophobicContact CD2-CG2 4.42Å; L574-I609 HydrophobicContact CD1-CD1 3.82Å; L574-I609 HydrophobicContact CD1-CG1 3.74Å; L574-I609 HydrophobicContact CD1-CG2 4.16Å; L574-I609 HydrophobicContact CD2-CD1 4.23Å; L574-L624 HydrophobicContact CD2-CD2 3.7Å; L574-Y652 HydrophobicContact CD1-CD1 4.13Å; L574-Y652 HydrophobicContact CD1-CD2 3.49Å; L574-Y652 VanDerWaalsContact CD1-CD2 3.49Å; L574-Y652 HydrophobicContact CD1-CE1 4.1Å; L574-Y652 HydrophobicContact CD1-CE2 3.48Å; L574-Y652 VanDerWaalsContact CD1-CE2 3.48Å; L574-Y652 HydrophobicContact CD1-CG 3.84Å; L574-Y652 HydrophobicContact CG-CD2 4.03Å; L574-Y652 HydrophobicContact CG-CE2 4.47Å; L574-Y652 HydrophobicContact CG-CG 4.19Å; L574-R653 PolarHBondContact N-O 3.26Å; L574-V654 HydrophobicContact CB-CG1 4.48Å; L574-V654 HydrophobicContact CB-CG2 4.28Å; L574-V654 HydrophobicContact CD1-CG2 4.45Å; L574-V654 CarbonylContact O-C 3.4Å; L574-V654 WeakPolarHBondContact O-CA 3.44Å; L574-Q655 PolarHBondContact O-N 3.08Å
575	T	96.9	Very high	92.8	Very high	47 Å²	47	28.9 Å²	28.9	29%	0.288	16%	0.155	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.5	118.1	169.7	-50.7	0	0	0	0	108.9	V577 F587 K588 Q655	T575-V577 HydrophobicContact CG2-CG2 4.15Å; T575-F587 WeakPolarHBondContact O-CA 3.44Å; T575-K588 PolarHBondContact N-O 3.1Å; T575-K588 PolarHBondContact O-N 3.27Å; T575-Q655 CarbonylContact C-O 3.59Å; T575-Q655 WeakPolarHBondContact CA-O 3.1Å
576	L	97	Very high	92.9	Very high	0 Å²	0	30.5 Å²	30.5	0%	0	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101	121.1	172.6	-178.7	54.7	0	0	0	110.5	A585 M586 F587 V642 A644 V654 Q655 Y656 D657	L576-A585 HydrophobicContact CD1-CB 3.72Å; L576-M586 WeakPolarHBondContact CA-O 3.35Å; L576-M586 WeakPolarHBondContact CD1-O 3.04Å; L576-F587 HydrophobicContact CB-CD1 4.28Å; L576-F587 HydrophobicContact CB-CE1 4.2Å; L576-F587 HydrophobicContact CD1-CD1 3.72Å; L576-F587 HydrophobicContact CD1-CE1 3.43Å; L576-F587 VanDerWaalsContact CD1-CE1 3.43Å; L576-F587 HydrophobicContact CD1-CE2 4.3Å; L576-F587 HydrophobicContact CD1-CG 4.26Å; L576-F587 HydrophobicContact CD1-CZ 3.76Å; L576-F587 HydrophobicContact CD2-CE1 3.93Å; L576-F587 HydrophobicContact CD2-CZ 4.35Å; L576-F587 HydrophobicContact CG-CD1 4.47Å; L576-F587 HydrophobicContact CG-CE1 4.05Å; L576-V642 HydrophobicContact CD2-CB 4.11Å; L576-V642 HydrophobicContact CD2-CG1 3.78Å; L576-A644 HydrophobicContact CD2-CB 4.22Å; L576-V654 HydrophobicContact CB-CG1 4.47Å; L576-Q655 PolarHBondContact N-O 3.48Å; L576-Y656 HydrophobicContact CB-CD1 4.14Å; L576-Y656 HydrophobicContact CD2-CD1 3.91Å; L576-Y656 HydrophobicContact CD2-CE1 4.07Å; L576-Y656 HydrophobicContact CG-CD1 4.46Å; L576-D657 PolarHBondContact O-N 2.78Å; L576-D657 VanDerWaalsContact O-N 3.09Å
577	V	96	Very high	93.2	Very high	64 Å²	64	30.5 Å²	30.5	39%	0.388	16%	0.163	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.4	125.7	173.9	-177.5	0	0	0	0	109.6	T575 M586	T575-V577 HydrophobicContact CG2-CG2 4.15Å; V577-M586 PolarHBondContact N-O 3.35Å; V577-M586 PolarHBondContact O-N 2.99Å
578	R	93.6	Very high	93.6	Very high	12 Å²	12	32.8 Å²	32.8	5%	0.045	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.2	140.4	179.7	-67.3	177.2	65.4	-165.3	0.7	113.1	Y580 A585 P635 N640 D657 N660	R578-Y580 HydrophobicContact CB-CD2 4.04Å; R578-Y580 HydrophobicContact CB-CE1 4.4Å; R578-Y580 HydrophobicContact CB-CE2 3.63Å; R578-A585 HydrophobicContact CG-CB 4.1Å; R578-P635 PolarHBondContact NH2-O 2.99Å; R578-N640 PolarHBondContact NH1-O 3.05Å; R578-N640 PolarHBondContact NH2-O 3.09Å; R578-D657 PolarHBondContact N-OD2 3.42Å; R578-N660 WeakPolarHBondContact CD-OD1 3.43Å; R578-N660 PolarHBondContact NH1-OD1 3.47Å
579	Q	93.3	Very high	93.9	Very high	87 Å²	87	33 Å²	33	41%	0.407	17%	0.172	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-103	83.9	167	-64.5	-179.2	-8.8	0	0	108	E581 A582 G583 L584	Q579-E581 VanDerWaalsContact C-N 3.34Å; Q579-E581 PolarHBondContact O-N 3.47Å; Q579-A582 HydrophobicContact CB-CB 3.77Å; Q579-A582 PolarHBondContact O-N 2.68Å; Q579-G583 PolarHBondContact O-N 3.46Å; Q579-L584 HydrophobicContact CB-CB 4.27Å; Q579-L584 PolarHBondContact N-O 2.92Å; Q579-L584 PolarHBondContact O-N 2.7Å
580	Y	92.2	Very high	94.1	Very high	44 Å²	44	34.1 Å²	34.1	17%	0.173	18%	0.183	C	C	.	.	T	Hydrogen-bonded Turn	trans	-51.9	-43.7	-170.6	-72	-89.8	0	0	0	114.5	R578 K636 A637 D657 A659 N660 L663	R578-Y580 HydrophobicContact CB-CD2 4.04Å; R578-Y580 HydrophobicContact CB-CE1 4.4Å; R578-Y580 HydrophobicContact CB-CE2 3.63Å; Y580-K636 WeakPolarHBondContact O-CA 3.11Å; Y580-A637 HydrophobicContact CD1-CB 4.42Å; Y580-A637 PolarHBondContact O-N 3.15Å; Y580-A637 VanDerWaalsContact O-N 3.13Å; Y580-D657 PolarHBondContact OH-OD1 2.96Å; Y580-A659 HydrophobicContact CE2-CB 4.17Å; Y580-N660 WeakPolarHBondContact OH-CA 3.14Å; Y580-N660 WeakPolarHBondContact OH-CB 3.44Å; Y580-N660 PolarHBondContact OH-N 3.24Å; Y580-L663 HydrophobicContact CE1-CD1 4.19Å
581	E	91	Very high	94	Very high	146 Å²	146	36.1 Å²	36.1	68%	0.682	20%	0.196	S	C	*	.	T	Hydrogen-bonded Turn	trans	-76.7	-26.8	177.6	-63.6	-51	130.2	0	0	113.7	Q579 K636	Q579-E581 VanDerWaalsContact C-N 3.34Å; Q579-E581 PolarHBondContact O-N 3.47Å; E581-K636 WeakPolarHBondContact O-CD 3.15Å; E581-K636 VanDerWaalsContact O-CE 3.24Å; E581-K636 WeakPolarHBondContact O-CE 3.46Å; E581-K636 PolarHBondContact O-NZ 2.95Å
582	A	92.1	Very high	93.8	Very high	49 Å²	49	36.5 Å²	36.5	41%	0.405	20%	0.199	S	C	.	.	T	Hydrogen-bonded Turn	trans	-77.9	-31.8	177.3	0	0	0	0	0	111.7	Q579 L584 K636	Q579-A582 HydrophobicContact CB-CB 3.77Å; Q579-A582 PolarHBondContact O-N 2.68Å; A582-L584 HydrophobicContact CB-CB 4.29Å; A582-L584 HydrophobicContact CB-CD1 4.07Å; A582-L584 HydrophobicContact CB-CG 4.07Å; A582-K636 WeakPolarHBondContact O-CE 3.35Å
583	G	92	Very high	92.8	Very high	6 Å²	6	37.6 Å²	37.6	6%	0.062	21%	0.205	C	C	.	.	T	Hydrogen-bonded Turn	trans	77.3	35.7	-167.6	0	0	0	0	0	111.9	Q579 N633 V634	Q579-G583 PolarHBondContact O-N 3.46Å; G583-N633 CarbonylContact O-C 3.56Å; G583-N633 WeakPolarHBondContact O-CA 3.31Å; G583-V634 CarbonylContact C-O 3.36Å; G583-V634 VanDerWaalsContact CA-O 3.23Å; G583-V634 WeakPolarHBondContact CA-O 3.16Å; G583-V634 PolarHBondContact O-N 3.32Å; G583-V634 VanDerWaalsContact O-O 3.1Å
584	L	93.7	Very high	91.6	Very high	55 Å²	55	38 Å²	38	29%	0.288	21%	0.207	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.4	146.6	-179.3	-66.5	174.2	0	0	0	111.1	Q579 A582 T632 N633	Q579-L584 HydrophobicContact CB-CB 4.27Å; Q579-L584 PolarHBondContact N-O 2.92Å; Q579-L584 PolarHBondContact O-N 2.7Å; A582-L584 HydrophobicContact CB-CB 4.29Å; A582-L584 HydrophobicContact CB-CD1 4.07Å; A582-L584 HydrophobicContact CB-CG 4.07Å; L584-T632 WeakPolarHBondContact CA-O 3.39Å; L584-N633 VanDerWaalsContact CD2-OD1 3.27Å; L584-N633 WeakPolarHBondContact CD2-OD1 3.09Å
585	A	94.3	Very high	90	Very high	0 Å²	0	39.8 Å²	39.8	0%	0	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.4	137.3	171.1	0	0	0	0	0	110.1	L576 R578 R631 T632 V634	L576-A585 HydrophobicContact CD1-CB 3.72Å; R578-A585 HydrophobicContact CG-CB 4.1Å; A585-R631 WeakPolarHBondContact O-CA 3.38Å; A585-T632 HydrophobicContact CB-CG2 4.32Å; A585-T632 PolarHBondContact N-O 2.97Å; A585-T632 PolarHBondContact O-N 3.38Å; A585-V634 HydrophobicContact CB-CB 4.46Å; A585-V634 HydrophobicContact CB-CG1 3.62Å; A585-V634 HydrophobicContact CB-CG2 3.95Å
586	M	96.6	Very high	87.9	Confident	36 Å²	36	46.3 Å²	46.3	18%	0.177	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.3	132	-177.2	-54.6	-164.5	-58.9	0	0	110.7	L576 V577 A630 R631	L576-M586 WeakPolarHBondContact CA-O 3.35Å; L576-M586 WeakPolarHBondContact CD1-O 3.04Å; V577-M586 PolarHBondContact N-O 3.35Å; V577-M586 PolarHBondContact O-N 2.99Å; M586-A630 WeakPolarHBondContact CA-O 3.43Å; M586-R631 HydrophobicContact CB-CG 4.45Å; M586-R631 HydrophobicContact CG-CG 4Å; M586-R631 HydrophobicContact SD-CG 4.45Å
587	F	96.3	Very high	85.7	Confident	0 Å²	0	54.9 Å²	54.9	0%	0	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107	133	175.8	-58.3	-81.6	0	0	0	110.6	T575 L576 I609 Y611 I622 L624 E629 A630 T632 A644	T575-F587 WeakPolarHBondContact O-CA 3.44Å; L576-F587 HydrophobicContact CB-CD1 4.28Å; L576-F587 HydrophobicContact CB-CE1 4.2Å; L576-F587 HydrophobicContact CD1-CD1 3.72Å; L576-F587 HydrophobicContact CD1-CE1 3.43Å; L576-F587 VanDerWaalsContact CD1-CE1 3.43Å; L576-F587 HydrophobicContact CD1-CE2 4.3Å; L576-F587 HydrophobicContact CD1-CG 4.26Å; L576-F587 HydrophobicContact CD1-CZ 3.76Å; L576-F587 HydrophobicContact CD2-CE1 3.93Å; L576-F587 HydrophobicContact CD2-CZ 4.35Å; L576-F587 HydrophobicContact CG-CD1 4.47Å; L576-F587 HydrophobicContact CG-CE1 4.05Å; F587-I609 HydrophobicContact CB-CD1 3.84Å; F587-I609 HydrophobicContact CD1-CD1 3.82Å; F587-I609 HydrophobicContact CD1-CG2 4.33Å; F587-I609 HydrophobicContact CD2-CD1 4.26Å; F587-I609 HydrophobicContact CE1-CD1 4.46Å; F587-I609 HydrophobicContact CE1-CG2 3.98Å; F587-I609 HydrophobicContact CG-CD1 3.71Å; F587-I609 HydrophobicContact CZ-CG2 4.27Å; F587-Y611 HydrophobicContact CZ-CG 4.48Å; F587-I622 HydrophobicContact CD2-CG2 4.36Å; F587-I622 HydrophobicContact CE2-CG2 4Å; F587-L624 HydrophobicContact CB-CD2 4.45Å; F587-E629 WeakPolarHBondContact O-CA 3.31Å; F587-A630 HydrophobicContact CB-CB 4.26Å; F587-A630 HydrophobicContact CD2-CB 4.26Å; F587-A630 PolarHBondContact N-O 2.61Å; F587-A630 PolarHBondContact O-N 3.07Å; F587-A630 VanDerWaalsContact O-N 3.14Å; F587-T632 HydrophobicContact CE2-CG2 3.99Å; F587-A644 HydrophobicContact CE1-CB 3.63Å; F587-A644 HydrophobicContact CZ-CB 4.39Å
588	K	95.4	Very high	83.4	Confident	95 Å²	95	55.2 Å²	55.2	41%	0.413	29%	0.286	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.9	166.7	165.2	-47.5	-159	-167.2	-158.5	0	109.8	L574 T575 E629	L574-K588 WeakPolarHBondContact CA-O 3.49Å; T575-K588 PolarHBondContact N-O 3.1Å; T575-K588 PolarHBondContact O-N 3.27Å; K588-E629 HydrophobicContact CD-CG 4.2Å; K588-E629 WeakPolarHBondContact CE-OE1 3.49Å; K588-E629 HydrophobicContact CG-CG 4.18Å; K588-E629 IonicContact NZ-OE1 3.08Å; K588-E629 PolarHBondContact NZ-OE1 3.26Å
589	Q	93.9	Very high	81.3	Confident	16 Å²	16	62.8 Å²	62.8	8%	0.075	33%	0.328	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.4	145	175.4	58.9	176.7	-60.7	0	0	112.3	P572 L573 L574 Q604 W605 L624	P572-Q589 HydrophobicContact CB-CB 4.18Å; L573-Q589 WeakPolarHBondContact O-CA 3.46Å; L574-Q589 HydrophobicContact CD2-CB 4.12Å; Q589-Q604 HydrophobicContact CG-CB 4.44Å; Q589-Q604 HydrophobicContact CG-CG 4.28Å; Q589-W605 PolarHBondContact NE2-O 3.24Å; Q589-W605 PolarHBondContact OE1-O 3.34Å; Q589-L624 HydrophobicContact CB-CD2 3.73Å; Q589-L624 HydrophobicContact CG-CD2 3.86Å
590	A	90.8	Very high	79.4	Confident	43 Å²	43	62.6 Å²	62.6	36%	0.355	33%	0.326	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.9	155.5	164.8	0	0	0	0	0	108.9	P572 L573	P572-A590 CarbonylContact C-O 3.58Å; P572-A590 WeakPolarHBondContact CA-O 3.46Å; L573-A590 PolarHBondContact N-O 3.47Å; L573-A590 PolarHBondContact O-N 3.27Å
591	P	89.6	Confident	77.5	Confident	44 Å²	44	65.4 Å²	65.4	29%	0.286	36%	0.358	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-61.1	144.3	168.2	28.3	-36	0	0	0	110.6	T570 Y602 W605	T570-P591 HydrophobicContact CG2-CB 4.08Å; P591-Y602 HydrophobicContact CB-CD2 3.71Å; P591-Y602 HydrophobicContact CB-CE2 4.08Å; P591-Y602 HydrophobicContact CG-CD2 3.87Å; P591-Y602 HydrophobicContact CG-CE2 4.47Å; P591-W605 HydrophobicContact CB-CH2 3.95Å; P591-W605 HydrophobicContact CB-CZ3 4.16Å
592	V	88.1	Confident	76.1	Confident	10 Å²	10	60.8 Å²	60.8	6%	0.061	34%	0.335	C	S	.	.			trans	-71	131.4	167.6	166.8	0	0	0	0	110.2	A467 T570 Y571 L573	A467-V592 HydrophobicContact CB-CG1 3.56Å; T570-V592 PolarHBondContact OG1-N 2.99Å; T570-V592 PolarHBondContact OG1-O 3.47Å; Y571-V592 HydrophobicContact CD2-CG2 3.97Å; Y571-V592 HydrophobicContact CE1-CB 4.28Å; Y571-V592 HydrophobicContact CE1-CG1 4.4Å; Y571-V592 HydrophobicContact CE1-CG2 4.48Å; Y571-V592 HydrophobicContact CE2-CB 4.05Å; Y571-V592 HydrophobicContact CE2-CG2 3.38Å; Y571-V592 PolarHBondContact O-N 3.14Å; L573-V592 HydrophobicContact CB-CG2 3.73Å
593	T	75	Confident	75	Confident	22 Å²	22	67 Å²	67	14%	0.135	35%	0.348	C	S	.	.			trans	-133	135.2	164.6	73.2	0	0	0	0	109.4	L595 K695	T593-L595 VanDerWaalsContact CB-O 3.31Å; T593-L595 WeakPolarHBondContact CB-O 3.34Å; T593-L595 PolarHBondContact OG1-O 2.82Å; T593-K695 PolarHBondContact O-NZ 3.48Å
594	L	68.3	Low	74.4	Confident	21 Å²	21	71 Å²	71	11%	0.11	37%	0.365	C	S	.	.	S	Bend	trans	-76.3	-45.9	176.9	-68.3	179.1	0	0	0	112.2	A467 L468 E928	A467-L594 HydrophobicContact CB-CD1 4.05Å; A467-L594 HydrophobicContact CB-CD2 4.01Å; A467-L594 HydrophobicContact CB-CG 3.86Å; L468-L594 HydrophobicContact CD2-CD1 3.55Å; L594-E928 VanDerWaalsContact CD1-OE1 3.23Å; L594-E928 WeakPolarHBondContact CD1-OE1 3.32Å
595	L	63.9	Low	74.3	Confident	38 Å²	38	68.6 Å²	68.6	20%	0.199	35%	0.352	C	S	.	.	S	Bend	trans	-102.2	-172	166.9	-50.7	175.9	0	0	0	111.5	L11 T593 F931	L11-L595 HydrophobicContact CB-CD1 3.69Å; L11-L595 HydrophobicContact CB-CG 4.19Å; L11-L595 HydrophobicContact CD1-CB 3.43Å; L11-L595 VanDerWaalsContact CD1-CB 3.43Å; L11-L595 HydrophobicContact CD1-CD1 3.66Å; L11-L595 HydrophobicContact CD1-CG 3.49Å; L11-L595 VanDerWaalsContact CD1-CG 3.49Å; L11-L595 HydrophobicContact CG-CD1 4.29Å; L11-L595 HydrophobicContact CG-CG 4.48Å; T593-L595 VanDerWaalsContact CB-O 3.31Å; T593-L595 WeakPolarHBondContact CB-O 3.34Å; T593-L595 PolarHBondContact OG1-O 2.82Å; L595-F931 HydrophobicContact CD2-CD1 4.16Å; L595-F931 HydrophobicContact CD2-CG 4.28Å
596	Q	53.9	Low	74.2	Confident	184 Å²	184	69.7 Å²	69.7	86%	0.86	36%	0.358	S	S	*	.	S	Bend	trans	-65.2	160	-175.9	-67.2	-171.8	-2.5	0	0	113.5	T598	Q596-T598 PolarHBondContact O-N 3.43Å
597	Q	49.5	Very low	74.1	Confident	180 Å²	180	68 Å²	68	84%	0.841	35%	0.349	S	S	*	.			trans	-58.4	106.8	-168.7	-68.2	173.4	-28.8	0	0	113.2
598	T	48.3	Very low	74	Confident	72 Å²	72	68 Å²	68	44%	0.442	35%	0.349	S	S	.	.			trans	-71.5	123.9	146.1	22.7	0	0	0	0	107.7	Q596 F600	Q596-T598 PolarHBondContact O-N 3.43Å; T598-F600 HydrophobicContact CG2-CE2 4.48Å; T598-F600 WeakPolarHBondContact O-CD2 3.14Å; T598-F600 PolarHBondContact O-N 2.82Å; T598-F600 WeakPolarHBondContact OG1-CE2 3.3Å
599	D	49.7	Very low	74.1	Confident	170 Å²	170	63.4 Å²	63.4	91%	0.909	33%	0.329	S	S	*	.			trans	-77.7	64.6	-176.2	-167	25.7	0	0	0	111.2
600	F	52	Low	74.2	Confident	83 Å²	83	63.4 Å²	63.4	36%	0.364	33%	0.329	S	S	.	.			trans	-69.5	137.5	170.5	-65	-76.5	0	0	0	109.8	P469 T598 Y602	P469-F600 HydrophobicContact CB-CE2 3.9Å; P469-F600 HydrophobicContact CB-CZ 3.95Å; T598-F600 HydrophobicContact CG2-CE2 4.48Å; T598-F600 WeakPolarHBondContact O-CD2 3.14Å; T598-F600 PolarHBondContact O-N 2.82Å; T598-F600 WeakPolarHBondContact OG1-CE2 3.3Å; F600-Y602 HydrophobicContact CB-CD1 3.64Å; F600-Y602 HydrophobicContact CB-CD2 3.78Å; F600-Y602 HydrophobicContact CB-CE1 3.47Å; F600-Y602 VanDerWaalsContact CB-CE1 3.47Å; F600-Y602 HydrophobicContact CB-CE2 3.68Å; F600-Y602 HydrophobicContact CB-CG 3.8Å; F600-Y602 HydrophobicContact CD1-CE1 4.26Å; F600-Y602 HydrophobicContact CD2-CD2 4.46Å; F600-Y602 HydrophobicContact CD2-CE1 4.02Å; F600-Y602 AromaticContact CD2-CE2 3.56Å; F600-Y602 HydrophobicContact CD2-CE2 3.56Å; F600-Y602 AromaticContact CD2-CZ 3.3Å; F600-Y602 WeakPolarHBondContact CD2-OH 3.2Å; F600-Y602 HydrophobicContact CE2-CE2 4.43Å; F600-Y602 AromaticContact CE2-CZ 3.95Å; F600-Y602 VanDerWaalsContact CE2-OH 3.26Å; F600-Y602 WeakPolarHBondContact CE2-OH 3.09Å; F600-Y602 HydrophobicContact CG-CD1 4.38Å; F600-Y602 AromaticContact CG-CE1 3.71Å; F600-Y602 HydrophobicContact CG-CE1 3.71Å; F600-Y602 AromaticContact CG-CE2 3.94Å; F600-Y602 HydrophobicContact CG-CE2 3.94Å; F600-Y602 AromaticContact CG-CZ 3.49Å; F600-Y602 VanDerWaalsContact CG-CZ 3.49Å; F600-Y602 PolarHBondContact O-N 3.03Å
601	A	53.7	Low	74.4	Confident	103 Å²	103	62.1 Å²	62.1	85%	0.851	32%	0.315	S	S	*	.			trans	-73.4	53	172.2	0	0	0	0	0	112.6
602	Y	60.1	Low	74.5	Confident	50 Å²	50	60.7 Å²	60.7	20%	0.196	30%	0.304	C	S	.	.			trans	-65.8	153.5	176.8	-66.5	-33.9	0	0	0	111.8	P569 T570 P591 F600	P569-Y602 HydrophobicContact CG-CD1 4.45Å; P569-Y602 HydrophobicContact CG-CE1 3.54Å; T570-Y602 HydrophobicContact CG2-CD2 4.28Å; T570-Y602 HydrophobicContact CG2-CE1 4.3Å; T570-Y602 HydrophobicContact CG2-CE2 3.72Å; P591-Y602 HydrophobicContact CB-CD2 3.71Å; P591-Y602 HydrophobicContact CB-CE2 4.08Å; P591-Y602 HydrophobicContact CG-CD2 3.87Å; P591-Y602 HydrophobicContact CG-CE2 4.47Å; F600-Y602 HydrophobicContact CB-CD1 3.64Å; F600-Y602 HydrophobicContact CB-CD2 3.78Å; F600-Y602 HydrophobicContact CB-CE1 3.47Å; F600-Y602 VanDerWaalsContact CB-CE1 3.47Å; F600-Y602 HydrophobicContact CB-CE2 3.68Å; F600-Y602 HydrophobicContact CB-CG 3.8Å; F600-Y602 HydrophobicContact CD1-CE1 4.26Å; F600-Y602 HydrophobicContact CD2-CD2 4.46Å; F600-Y602 HydrophobicContact CD2-CE1 4.02Å; F600-Y602 AromaticContact CD2-CE2 3.56Å; F600-Y602 HydrophobicContact CD2-CE2 3.56Å; F600-Y602 AromaticContact CD2-CZ 3.3Å; F600-Y602 WeakPolarHBondContact CD2-OH 3.2Å; F600-Y602 HydrophobicContact CE2-CE2 4.43Å; F600-Y602 AromaticContact CE2-CZ 3.95Å; F600-Y602 VanDerWaalsContact CE2-OH 3.26Å; F600-Y602 WeakPolarHBondContact CE2-OH 3.09Å; F600-Y602 HydrophobicContact CG-CD1 4.38Å; F600-Y602 AromaticContact CG-CE1 3.71Å; F600-Y602 HydrophobicContact CG-CE1 3.71Å; F600-Y602 AromaticContact CG-CE2 3.94Å; F600-Y602 HydrophobicContact CG-CE2 3.94Å; F600-Y602 AromaticContact CG-CZ 3.49Å; F600-Y602 VanDerWaalsContact CG-CZ 3.49Å; F600-Y602 PolarHBondContact O-N 3.03Å
603	R	69.2	Low	74.5	Confident	180 Å²	180	62.2 Å²	62.2	68%	0.679	31%	0.311	S	S	*	.			trans	-109	141.7	175	-57.9	176.8	-179.8	175.3	-0.5	108.5	Q568	Q568-R603 VanDerWaalsContact CD-O 3.3Å; Q568-R603 PolarHBondContact NE2-O 2.96Å; Q568-R603 PolarHBondContact OE1-O 3.24Å
604	Q	80.2	Confident	74.7	Confident	90 Å²	90	65.2 Å²	65.2	42%	0.421	32%	0.323	S	S	.	.			trans	-69.5	152.8	173.7	-73.3	161.5	-39.7	0	0	110.6	Q589 A626	Q589-Q604 HydrophobicContact CG-CB 4.44Å; Q589-Q604 HydrophobicContact CG-CG 4.28Å; Q604-A626 HydrophobicContact CB-CB 3.9Å; Q604-A626 VanDerWaalsContact O-CB 3.29Å; Q604-A626 WeakPolarHBondContact O-CB 3.44Å
605	W	92.2	Very high	74.9	Confident	3 Å²	3	65.3 Å²	65.3	1%	0.011	33%	0.325	C	S	.	.			trans	-90.2	157.3	-177.3	-63.7	-101.5	0	0	0	110.8	G564 W565 Q568 T570 P572 Q589 P591 V607 A626	G564-W605 PolarHBondContact O-NE1 3.15Å; G564-W605 VanDerWaalsContact O-NE1 3.09Å; W565-W605 AromaticContact CD2-CD1 3.57Å; W565-W605 HydrophobicContact CD2-CG 4.48Å; W565-W605 AromaticContact CE2-CD1 3.71Å; W565-W605 AromaticContact CE3-CD1 3.69Å; W565-W605 HydrophobicContact CH2-CB 4.36Å; W565-W605 HydrophobicContact CH2-CG 4.32Å; W565-W605 HydrophobicContact CZ2-CB 3.85Å; W565-W605 HydrophobicContact CZ2-CG 4.17Å; W565-W605 AromaticContact CZ3-CD1 3.94Å; Q568-W605 HydrophobicContact CG-CZ2 4.31Å; T570-W605 HydrophobicContact CG2-CH2 4.11Å; T570-W605 HydrophobicContact CG2-CZ2 4.36Å; T570-W605 WeakPolarHBondContact O-CZ2 3.46Å; P572-W605 HydrophobicContact CB-CD2 4.21Å; P572-W605 HydrophobicContact CB-CE3 3.66Å; P572-W605 HydrophobicContact CB-CZ3 4.07Å; P572-W605 HydrophobicContact CG-CB 4.3Å; P572-W605 HydrophobicContact CG-CD2 4.01Å; P572-W605 HydrophobicContact CG-CE3 3.99Å; P572-W605 HydrophobicContact CG-CG 4.16Å; Q589-W605 PolarHBondContact NE2-O 3.24Å; Q589-W605 PolarHBondContact OE1-O 3.34Å; P591-W605 HydrophobicContact CB-CH2 3.95Å; P591-W605 HydrophobicContact CB-CZ3 4.16Å; W605-V607 HydrophobicContact CB-CG2 3.71Å; W605-A626 PolarHBondContact O-N 3.38Å
606	N	92.2	Very high	75.4	Confident	23 Å²	23	68.3 Å²	68.3	12%	0.123	35%	0.349	C	S	.	.			trans	-89.9	106.6	159.4	-66.8	-50.8	0	0	0	107.1	M555 T560 I561 W565 A626	M555-N606 HydrophobicContact SD-CB 3.85Å; T560-N606 PolarHBondContact O-ND2 3.41Å; I561-N606 HydrophobicContact CG2-CB 4.26Å; W565-N606 PolarHBondContact NE1-O 3.22Å; W565-N606 VanDerWaalsContact NE1-O 3.11Å; N606-A626 PolarHBondContact OD1-N 3.16Å
607	V	94.5	Very high	76.9	Confident	0 Å²	0	60.3 Å²	60.3	0%	0	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.3	119	-168.6	-165.9	0	0	0	0	111.1	W565 P572 L574 W605 I609 W623 L624 Y652	W565-V607 HydrophobicContact CH2-CG1 4.36Å; W565-V607 HydrophobicContact CH2-CG2 4.43Å; W565-V607 HydrophobicContact CZ2-CB 4.39Å; W565-V607 HydrophobicContact CZ2-CG1 4.26Å; W565-V607 HydrophobicContact CZ2-CG2 4.08Å; P572-V607 HydrophobicContact CB-CG2 4.27Å; P572-V607 HydrophobicContact CG-CG1 4.49Å; P572-V607 HydrophobicContact CG-CG2 3.75Å; L574-V607 HydrophobicContact CD1-CG1 4.3Å; L574-V607 HydrophobicContact CD2-CG1 4.23Å; L574-V607 HydrophobicContact CD2-CG2 4.42Å; W605-V607 HydrophobicContact CB-CG2 3.71Å; V607-I609 HydrophobicContact CB-CG1 4.44Å; V607-I609 HydrophobicContact CG1-CG1 4.12Å; V607-W623 VanDerWaalsContact C-CE3 3.46Å; V607-W623 WeakPolarHBondContact O-CA 3.47Å; V607-L624 HydrophobicContact CB-CB 4.34Å; V607-L624 PolarHBondContact N-O 3.08Å; V607-L624 PolarHBondContact O-N 2.63Å; V607-Y652 HydrophobicContact CG1-CD1 3.64Å; V607-Y652 HydrophobicContact CG1-CE1 3.88Å; V607-Y652 HydrophobicContact CG1-CG 4.5Å
608	P	94.3	Very high	78.8	Confident	0 Å²	0	56.3 Å²	56.3	0%	0	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.3	117.9	164.5	25.9	-19.7	0	0	0	108.2	M502 V506 W610 K621 W623 Y652	M502-P608 HydrophobicContact CG-CG 4.08Å; M502-P608 HydrophobicContact SD-CG 3.92Å; V506-P608 HydrophobicContact CG2-CB 3.91Å; V506-P608 HydrophobicContact CG2-CG 3.75Å; P608-W610 HydrophobicContact CB-CE3 4.37Å; P608-W610 HydrophobicContact CB-CH2 3.69Å; P608-W610 HydrophobicContact CB-CZ2 4.33Å; P608-W610 HydrophobicContact CB-CZ3 3.71Å; P608-W610 HydrophobicContact CG-CH2 3.64Å; P608-W610 HydrophobicContact CG-CZ3 3.63Å; P608-W610 VanDerWaalsContact O-CE3 3.23Å; P608-W610 WeakPolarHBondContact O-CZ3 3.48Å; P608-K621 HydrophobicContact CB-CD 4.5Å; P608-W623 HydrophobicContact CB-CD2 4.11Å; P608-W623 HydrophobicContact CB-CE3 3.8Å; P608-W623 HydrophobicContact CB-CH2 3.62Å; P608-W623 HydrophobicContact CB-CZ2 3.92Å; P608-W623 HydrophobicContact CB-CZ3 3.56Å; P608-W623 VanDerWaalsContact CD-CZ3 3.44Å; P608-W623 HydrophobicContact CG-CE3 4.3Å; P608-W623 HydrophobicContact CG-CH2 3.77Å; P608-W623 HydrophobicContact CG-CZ3 3.65Å; P608-W623 VanDerWaalsContact N-CE3 3.33Å; P608-Y652 WeakPolarHBondContact O-CE1 3.47Å
609	I	96	Very high	80.9	Confident	0 Å²	0	56.2 Å²	56.2	0%	0	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.8	118.3	-178.3	-53.7	179	0	0	0	108.6	L574 F587 V607 K621 I622 L624 A644 Y652	L574-I609 HydrophobicContact CD1-CD1 3.82Å; L574-I609 HydrophobicContact CD1-CG1 3.74Å; L574-I609 HydrophobicContact CD1-CG2 4.16Å; L574-I609 HydrophobicContact CD2-CD1 4.23Å; F587-I609 HydrophobicContact CB-CD1 3.84Å; F587-I609 HydrophobicContact CD1-CD1 3.82Å; F587-I609 HydrophobicContact CD1-CG2 4.33Å; F587-I609 HydrophobicContact CD2-CD1 4.26Å; F587-I609 HydrophobicContact CE1-CD1 4.46Å; F587-I609 HydrophobicContact CE1-CG2 3.98Å; F587-I609 HydrophobicContact CG-CD1 3.71Å; F587-I609 HydrophobicContact CZ-CG2 4.27Å; V607-I609 HydrophobicContact CB-CG1 4.44Å; V607-I609 HydrophobicContact CG1-CG1 4.12Å; I609-K621 WeakPolarHBondContact O-CA 3.49Å; I609-I622 HydrophobicContact CB-CG2 3.87Å; I609-I622 HydrophobicContact CG2-CG2 4.4Å; I609-I622 PolarHBondContact N-O 3.28Å; I609-I622 PolarHBondContact O-N 3.3Å; I609-L624 HydrophobicContact CD1-CB 3.71Å; I609-L624 HydrophobicContact CD1-CD2 4.21Å; I609-L624 HydrophobicContact CG1-CB 4.38Å; I609-A644 HydrophobicContact CG2-CB 4.12Å; I609-Y652 WeakPolarHBondContact CA-OH 3.43Å
610	W	96.2	Very high	82.9	Confident	16 Å²	16	51.1 Å²	51.1	6%	0.061	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95	115.2	172.2	-70.8	-96.8	0	0	0	109.9	M502 H505 V506 P608 V619 L620 K621 A644 A646 I649 Y652	M502-W610 HydrophobicContact CG-CH2 3.7Å; M502-W610 HydrophobicContact CG-CZ3 3.79Å; M502-W610 HydrophobicContact SD-CZ3 4.45Å; H505-W610 HydrophobicContact CB-CH2 4.34Å; H505-W610 HydrophobicContact CB-CZ2 3.72Å; V506-W610 HydrophobicContact CG2-CH2 3.78Å; V506-W610 HydrophobicContact CG2-CZ2 4.02Å; P608-W610 HydrophobicContact CB-CE3 4.37Å; P608-W610 HydrophobicContact CB-CH2 3.69Å; P608-W610 HydrophobicContact CB-CZ2 4.33Å; P608-W610 HydrophobicContact CB-CZ3 3.71Å; P608-W610 HydrophobicContact CG-CH2 3.64Å; P608-W610 HydrophobicContact CG-CZ3 3.63Å; P608-W610 VanDerWaalsContact O-CE3 3.23Å; P608-W610 WeakPolarHBondContact O-CZ3 3.48Å; W610-V619 HydrophobicContact CB-CG1 3.95Å; W610-V619 HydrophobicContact CG-CG1 4.46Å; W610-L620 CarbonylContact C-O 3.56Å; W610-L620 WeakPolarHBondContact CA-O 3.48Å; W610-K621 HydrophobicContact CZ2-CD 4.02Å; W610-A644 CarbonylContact O-C 3.6Å; W610-A646 PolarHBondContact O-N 3.03Å; W610-I649 HydrophobicContact CB-CD1 4.35Å; W610-I649 HydrophobicContact CD2-CB 3.78Å; W610-I649 HydrophobicContact CD2-CD1 4.29Å; W610-I649 HydrophobicContact CD2-CG2 3.64Å; W610-I649 HydrophobicContact CE3-CB 3.88Å; W610-I649 HydrophobicContact CE3-CG2 3.76Å; W610-I649 HydrophobicContact CG-CB 4.09Å; W610-I649 HydrophobicContact CG-CD1 3.87Å; W610-I649 HydrophobicContact CG-CG2 4.33Å; W610-I649 HydrophobicContact CH2-CG2 3.65Å; W610-I649 HydrophobicContact CZ2-CG2 3.54Å; W610-I649 HydrophobicContact CZ3-CB 4.31Å; W610-I649 HydrophobicContact CZ3-CG2 3.76Å; W610-Y652 PolarHBondContact N-OH 2.9Å; W610-Y652 VanDerWaalsContact N-OH 3.13Å
611	Y	95.1	Very high	84.8	Confident	15 Å²	15	50.8 Å²	50.8	6%	0.059	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.9	153.5	-171.6	75.4	-79.9	0	0	0	112.6	F587 Q613 L620 I622 T632 V642 L643	F587-Y611 HydrophobicContact CZ-CG 4.48Å; Y611-Q613 HydrophobicContact CD2-CG 4.3Å; Y611-Q613 HydrophobicContact CE2-CG 4.11Å; Y611-L620 HydrophobicContact CD1-CB 3.95Å; Y611-L620 WeakPolarHBondContact CD1-O 3.32Å; Y611-L620 HydrophobicContact CD2-CB 4.46Å; Y611-L620 HydrophobicContact CE1-CB 3.47Å; Y611-L620 VanDerWaalsContact CE1-CB 3.47Å; Y611-L620 HydrophobicContact CE2-CB 4.06Å; Y611-L620 HydrophobicContact CE2-CD1 3.87Å; Y611-L620 HydrophobicContact CG-CB 4.42Å; Y611-L620 PolarHBondContact N-O 3.04Å; Y611-L620 PolarHBondContact O-N 2.93Å; Y611-I622 HydrophobicContact CD1-CB 4.43Å; Y611-I622 HydrophobicContact CD1-CG2 3.79Å; Y611-I622 HydrophobicContact CE1-CB 3.87Å; Y611-I622 HydrophobicContact CE1-CG2 3.67Å; Y611-T632 HydrophobicContact CD2-CG2 4.47Å; Y611-T632 HydrophobicContact CE2-CG2 3.73Å; Y611-T632 PolarHBondContact OH-OG1 3.35Å; Y611-V642 HydrophobicContact CD2-CG1 4.48Å; Y611-L643 CarbonylContact C-O 3.38Å; Y611-L643 WeakPolarHBondContact CA-O 3.08Å; Y611-L643 WeakPolarHBondContact CB-O 3.34Å
612	Q	92.1	Very high	86.7	Confident	15 Å²	15	47.4 Å²	47.4	7%	0.07	24%	0.241	C	C	.	.	B	Isolated β-bridge	trans	-136	135	-176	-164.1	-177.7	20.5	0	0	108.5	E614 P615 S617 V642 L643 A646	Q612-E614 WeakPolarHBondContact CG-O 3.48Å; Q612-P615 PolarHBondContact NE2-O 3.36Å; Q612-S617 WeakPolarHBondContact CG-O 3.42Å; Q612-S617 VanDerWaalsContact CG-OG 3.23Å; Q612-S617 WeakPolarHBondContact CG-OG 3.33Å; Q612-S617 PolarHBondContact NE2-O 2.77Å; Q612-V642 CarbonylContact O-C 3.54Å; Q612-V642 WeakPolarHBondContact O-CA 3.44Å; Q612-L643 HydrophobicContact CB-CB 4.4Å; Q612-L643 PolarHBondContact N-O 3.1Å; Q612-L643 PolarHBondContact O-N 3.02Å; Q612-A646 HydrophobicContact CB-CB 3.89Å
613	Q	88.1	Confident	88.2	Confident	42 Å²	42	46.6 Å²	46.6	20%	0.196	24%	0.237	C	C	.	.	S	Bend	trans	-100.5	-18.8	-166.4	-68.9	-179.1	-16.5	0	0	114.7	Y611 S617 N633 V634 P635 F641	Y611-Q613 HydrophobicContact CD2-CG 4.3Å; Y611-Q613 HydrophobicContact CE2-CG 4.11Å; Q613-S617 PolarHBondContact N-OG 2.61Å; Q613-N633 PolarHBondContact NE2-O 3.03Å; Q613-V634 HydrophobicContact CG-CG1 4.37Å; Q613-P635 HydrophobicContact CB-CG 4.16Å; Q613-F641 CarbonylContact C-O 3.56Å
614	E	79.9	Confident	89.3	Confident	84 Å²	84	38 Å²	38	39%	0.393	21%	0.205	S	C	.	.	S	Bend	trans	-157.3	155.1	-179.3	-57.1	-177.3	176.7	0	0	107.4	Q612 S616 S617 P635 N640	Q612-E614 WeakPolarHBondContact CG-O 3.48Å; E614-S616 PolarHBondContact O-N 3.1Å; E614-S616 VanDerWaalsContact O-N 3.07Å; E614-S617 PolarHBondContact N-OG 2.73Å; E614-S617 WeakPolarHBondContact O-CB 3.14Å; E614-S617 PolarHBondContact O-N 3.34Å; E614-S617 PolarHBondContact O-OG 2.72Å; E614-P635 HydrophobicContact CG-CG 4.17Å; E614-N640 HydrophobicContact CG-CB 4.4Å; E614-N640 WeakPolarHBondContact CG-ND2 3.44Å; E614-N640 PolarHBondContact OE1-ND2 3.19Å
615	P	71.2	Confident	89.8	Confident	23 Å²	23	37.8 Å²	37.8	15%	0.149	20%	0.203	C	C	.	.	T	Hydrogen-bonded Turn	trans	-50.8	-40.1	-175	-19.3	21.4	0	0	0	114.8	Q612 F641 Q667 L674	Q612-P615 PolarHBondContact NE2-O 3.36Å; P615-F641 HydrophobicContact CB-CZ 4.18Å; P615-F641 HydrophobicContact CG-CE1 3.67Å; P615-F641 HydrophobicContact CG-CZ 3.58Å; P615-Q667 HydrophobicContact CG-CG 4.28Å; P615-L674 CarbonylContact C-O 3.18Å; P615-L674 HydrophobicContact CB-CB 3.4Å; P615-L674 VanDerWaalsContact CB-CB 3.4Å; P615-L674 HydrophobicContact CB-CD1 4.05Å; P615-L674 HydrophobicContact CB-CG 4.38Å; P615-L674 HydrophobicContact CG-CB 4.36Å; P615-L674 HydrophobicContact CG-CD1 4.34Å
616	S	74.5	Confident	89.6	Confident	101 Å²	101	39.2 Å²	39.2	71%	0.706	22%	0.215	S	C	*	.	T	Hydrogen-bonded Turn	trans	-104.3	8.3	-178.4	-49.6	0	0	0	0	114	E614	E614-S616 PolarHBondContact O-N 3.1Å; E614-S616 VanDerWaalsContact O-N 3.07Å
617	S	86.1	Confident	89.3	Confident	17 Å²	17	40.6 Å²	40.6	12%	0.119	23%	0.234	C	C	.	.	S	Bend	trans	-70.7	150.5	172.9	65.5	0	0	0	0	111.2	Q612 Q613 E614	Q612-S617 WeakPolarHBondContact CG-O 3.42Å; Q612-S617 VanDerWaalsContact CG-OG 3.23Å; Q612-S617 WeakPolarHBondContact CG-OG 3.33Å; Q612-S617 PolarHBondContact NE2-O 2.77Å; Q613-S617 PolarHBondContact N-OG 2.61Å; E614-S617 PolarHBondContact N-OG 2.73Å; E614-S617 WeakPolarHBondContact O-CB 3.14Å; E614-S617 PolarHBondContact O-N 3.34Å; E614-S617 PolarHBondContact O-OG 2.72Å
618	P	89.2	Confident	89.1	Confident	96 Å²	96	44.3 Å²	44.3	62%	0.623	25%	0.254	S	S	*	.	P	Polyproline II helix	trans	-64.6	145.2	174.8	28	-35.4	0	0	0	111.2	L620	P618-L620 HydrophobicContact CG-CD2 4.48Å; P618-L620 PolarHBondContact O-N 2.92Å
619	V	91.4	Very high	89	Confident	70 Å²	70	47.8 Å²	47.8	42%	0.424	27%	0.271	S	S	.	.	P	Polyproline II helix	trans	-69.6	119.5	173	-179.7	0	0	0	0	109.6	W610 A646	W610-V619 HydrophobicContact CB-CG1 3.95Å; W610-V619 HydrophobicContact CG-CG1 4.46Å; V619-A646 HydrophobicContact CG1-CB 3.84Å; V619-A646 HydrophobicContact CG2-CB 4.01Å
620	L	93.4	Very high	88.9	Confident	62 Å²	62	48.2 Å²	48.2	33%	0.325	27%	0.274	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98	155.5	178.9	-59.4	179.5	0	0	0	110.4	W610 Y611 P618	W610-L620 CarbonylContact C-O 3.56Å; W610-L620 WeakPolarHBondContact CA-O 3.48Å; Y611-L620 HydrophobicContact CD1-CB 3.95Å; Y611-L620 WeakPolarHBondContact CD1-O 3.32Å; Y611-L620 HydrophobicContact CD2-CB 4.46Å; Y611-L620 HydrophobicContact CE1-CB 3.47Å; Y611-L620 VanDerWaalsContact CE1-CB 3.47Å; Y611-L620 HydrophobicContact CE2-CB 4.06Å; Y611-L620 HydrophobicContact CE2-CD1 3.87Å; Y611-L620 HydrophobicContact CG-CB 4.42Å; Y611-L620 PolarHBondContact N-O 3.04Å; Y611-L620 PolarHBondContact O-N 2.93Å; P618-L620 HydrophobicContact CG-CD2 4.48Å; P618-L620 PolarHBondContact O-N 2.92Å
621	K	91.5	Very high	88.8	Confident	76 Å²	76	54.9 Å²	54.9	33%	0.33	30%	0.299	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.9	126.4	176.4	-176.1	168.2	61.1	-177.4	0	110.3	V506 P608 I609 W610	V506-K621 PolarHBondContact O-NZ 3.09Å; P608-K621 HydrophobicContact CB-CD 4.5Å; I609-K621 WeakPolarHBondContact O-CA 3.49Å; W610-K621 HydrophobicContact CZ2-CD 4.02Å
622	I	92.9	Very high	88.7	Confident	33 Å²	33	55.3 Å²	55.3	17%	0.169	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.7	157.3	170.5	-171.5	164.9	0	0	0	109.3	F587 I609 Y611 A630 R631	F587-I622 HydrophobicContact CD2-CG2 4.36Å; F587-I622 HydrophobicContact CE2-CG2 4Å; I609-I622 HydrophobicContact CB-CG2 3.87Å; I609-I622 HydrophobicContact CG2-CG2 4.4Å; I609-I622 PolarHBondContact N-O 3.28Å; I609-I622 PolarHBondContact O-N 3.3Å; Y611-I622 HydrophobicContact CD1-CB 4.43Å; Y611-I622 HydrophobicContact CD1-CG2 3.79Å; Y611-I622 HydrophobicContact CE1-CB 3.87Å; Y611-I622 HydrophobicContact CE1-CG2 3.67Å; I622-A630 HydrophobicContact CD1-CB 4.2Å; I622-A630 HydrophobicContact CG1-CB 4.4Å; I622-R631 WeakPolarHBondContact CD1-O 3.36Å
623	W	91.7	Very high	88.8	Confident	33 Å²	33	60.1 Å²	60.1	13%	0.125	33%	0.33	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.6	132.3	176.4	-75	102	0	0	0	111.2	V506 L551 V554 M555 I561 F562 V607 P608	V506-W623 HydrophobicContact CG1-CH2 4.02Å; V506-W623 HydrophobicContact CG1-CZ2 3.67Å; V506-W623 HydrophobicContact CG2-CH2 3.98Å; V506-W623 HydrophobicContact CG2-CZ2 4.12Å; L551-W623 HydrophobicContact CD1-CZ2 4.03Å; L551-W623 HydrophobicContact CD2-CH2 4.5Å; L551-W623 HydrophobicContact CD2-CZ2 3.87Å; L551-W623 HydrophobicContact CG-CZ2 4.18Å; V554-W623 HydrophobicContact CG1-CB 4.32Å; M555-W623 HydrophobicContact CE-CB 4.24Å; M555-W623 HydrophobicContact CE-CD2 3.17Å; M555-W623 VanDerWaalsContact CE-CE2 3.4Å; M555-W623 HydrophobicContact CE-CE3 3.32Å; M555-W623 HydrophobicContact CE-CG 3.61Å; M555-W623 HydrophobicContact CE-CH2 3.88Å; M555-W623 HydrophobicContact CE-CZ2 3.77Å; M555-W623 HydrophobicContact CE-CZ3 3.66Å; M555-W623 HydrophobicContact SD-CB 4.19Å; M555-W623 HydrophobicContact SD-CD2 3.82Å; M555-W623 HydrophobicContact SD-CE3 3.49Å; M555-W623 HydrophobicContact SD-CG 4.14Å; M555-W623 HydrophobicContact SD-CZ3 4Å; I561-W623 HydrophobicContact CG2-CH2 3.85Å; I561-W623 HydrophobicContact CG2-CZ3 3.88Å; F562-W623 HydrophobicContact CE1-CH2 4.43Å; F562-W623 HydrophobicContact CZ-CH2 4.33Å; V607-W623 VanDerWaalsContact C-CE3 3.46Å; V607-W623 WeakPolarHBondContact O-CA 3.47Å; P608-W623 HydrophobicContact CB-CD2 4.11Å; P608-W623 HydrophobicContact CB-CE3 3.8Å; P608-W623 HydrophobicContact CB-CH2 3.62Å; P608-W623 HydrophobicContact CB-CZ2 3.92Å; P608-W623 HydrophobicContact CB-CZ3 3.56Å; P608-W623 VanDerWaalsContact CD-CZ3 3.44Å; P608-W623 HydrophobicContact CG-CE3 4.3Å; P608-W623 HydrophobicContact CG-CH2 3.77Å; P608-W623 HydrophobicContact CG-CZ3 3.65Å; P608-W623 VanDerWaalsContact N-CE3 3.33Å
624	L	92.9	Very high	88.9	Confident	0 Å²	0	58.8 Å²	58.8	0%	0	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.2	108.3	168.2	178	68.2	0	0	0	108.4	L574 F587 Q589 V607 I609 D628 A630	L574-L624 HydrophobicContact CD2-CD2 3.7Å; F587-L624 HydrophobicContact CB-CD2 4.45Å; Q589-L624 HydrophobicContact CB-CD2 3.73Å; Q589-L624 HydrophobicContact CG-CD2 3.86Å; V607-L624 HydrophobicContact CB-CB 4.34Å; V607-L624 PolarHBondContact N-O 3.08Å; V607-L624 PolarHBondContact O-N 2.63Å; I609-L624 HydrophobicContact CD1-CB 3.71Å; I609-L624 HydrophobicContact CD1-CD2 4.21Å; I609-L624 HydrophobicContact CG1-CB 4.38Å; L624-D628 WeakPolarHBondContact CD1-O 3.08Å; L624-A630 HydrophobicContact CB-CB 4.16Å; L624-A630 HydrophobicContact CD1-CB 3.77Å; L624-A630 VanDerWaalsContact CD1-N 3.26Å
625	K	89.9	Confident	89.1	Confident	85 Å²	85	56 Å²	56	37%	0.37	31%	0.313	S	S	.	.			trans	-76	148.7	179.3	172.7	175.6	152	-63.9	0	110.8	G627 D628	K625-G627 PolarHBondContact O-N 2.87Å; K625-D628 HydrophobicContact CB-CB 4.42Å; K625-D628 WeakPolarHBondContact CB-OD2 3.35Å; K625-D628 WeakPolarHBondContact CD-OD2 3.26Å; K625-D628 WeakPolarHBondContact CE-OD2 3.08Å; K625-D628 WeakPolarHBondContact CG-OD2 3.12Å; K625-D628 VanDerWaalsContact NZ-CG 3.27Å; K625-D628 IonicContact NZ-OD1 2.72Å; K625-D628 PolarHBondContact NZ-OD1 3.5Å; K625-D628 IonicContact NZ-OD2 3.36Å; K625-D628 PolarHBondContact NZ-OD2 3.22Å; K625-D628 PolarHBondContact O-N 3.35Å; K625-D628 VanDerWaalsContact O-N 3.16Å
626	A	88	Confident	89.8	Confident	32 Å²	32	60.6 Å²	60.6	26%	0.264	33%	0.331	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57.8	130	172.2	0	0	0	0	0	111.2	Q604 W605 N606	Q604-A626 HydrophobicContact CB-CB 3.9Å; Q604-A626 VanDerWaalsContact O-CB 3.29Å; Q604-A626 WeakPolarHBondContact O-CB 3.44Å; W605-A626 PolarHBondContact O-N 3.38Å; N606-A626 PolarHBondContact OD1-N 3.16Å
627	G	85.5	Confident	89.8	Confident	52 Å²	52	57.5 Å²	57.5	54%	0.536	31%	0.312	S	S	.	.	T	Hydrogen-bonded Turn	trans	92	-19.9	-175.2	0	0	0	0	0	115.8	K625	K625-G627 PolarHBondContact O-N 2.87Å
628	D	90.1	Very high	89	Confident	78 Å²	78	60.4 Å²	60.4	42%	0.417	33%	0.33	S	S	.	.	S	Bend	trans	-110.7	176.7	-165.2	-57.5	-25.6	0	0	0	113.8	L624 K625	L624-D628 WeakPolarHBondContact CD1-O 3.08Å; K625-D628 HydrophobicContact CB-CB 4.42Å; K625-D628 WeakPolarHBondContact CB-OD2 3.35Å; K625-D628 WeakPolarHBondContact CD-OD2 3.26Å; K625-D628 WeakPolarHBondContact CE-OD2 3.08Å; K625-D628 WeakPolarHBondContact CG-OD2 3.12Å; K625-D628 VanDerWaalsContact NZ-CG 3.27Å; K625-D628 IonicContact NZ-OD1 2.72Å; K625-D628 PolarHBondContact NZ-OD1 3.5Å; K625-D628 IonicContact NZ-OD2 3.36Å; K625-D628 PolarHBondContact NZ-OD2 3.22Å; K625-D628 PolarHBondContact O-N 3.35Å; K625-D628 VanDerWaalsContact O-N 3.16Å
629	E	93.3	Very high	88.3	Confident	74 Å²	74	63.8 Å²	63.8	35%	0.346	33%	0.332	S	S	.	.			trans	-108.6	142.8	164.8	-56.8	-177.7	179.4	0	0	109.8	F587 K588 R631	F587-E629 WeakPolarHBondContact O-CA 3.31Å; K588-E629 HydrophobicContact CD-CG 4.2Å; K588-E629 WeakPolarHBondContact CE-OE1 3.49Å; K588-E629 HydrophobicContact CG-CG 4.18Å; K588-E629 IonicContact NZ-OE1 3.08Å; K588-E629 PolarHBondContact NZ-OE1 3.26Å; E629-R631 IonicContact OE2-CZ 2.73Å; E629-R631 IonicContact OE2-NE 3.91Å; E629-R631 IonicContact OE2-NH2 2.72Å; E629-R631 PolarHBondContact OE2-NH2 3.33Å
630	A	93.7	Very high	87.9	Confident	9 Å²	9	62.8 Å²	62.8	7%	0.074	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.3	142.6	169.7	0	0	0	0	0	110	M586 F587 I622 L624	M586-A630 WeakPolarHBondContact CA-O 3.43Å; F587-A630 HydrophobicContact CB-CB 4.26Å; F587-A630 HydrophobicContact CD2-CB 4.26Å; F587-A630 PolarHBondContact N-O 2.61Å; F587-A630 PolarHBondContact O-N 3.07Å; F587-A630 VanDerWaalsContact O-N 3.14Å; I622-A630 HydrophobicContact CD1-CB 4.2Å; I622-A630 HydrophobicContact CG1-CB 4.4Å; L624-A630 HydrophobicContact CB-CB 4.16Å; L624-A630 HydrophobicContact CD1-CB 3.77Å; L624-A630 VanDerWaalsContact CD1-N 3.26Å
631	R	94.7	Very high	87.8	Confident	156 Å²	156	60 Å²	60	59%	0.589	31%	0.309	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-132.4	140.9	179.9	-55	-170.1	-174.1	116	6.1	110.1	A585 M586 I622 E629	A585-R631 WeakPolarHBondContact O-CA 3.38Å; M586-R631 HydrophobicContact CB-CG 4.45Å; M586-R631 HydrophobicContact CG-CG 4Å; M586-R631 HydrophobicContact SD-CG 4.45Å; I622-R631 WeakPolarHBondContact CD1-O 3.36Å; E629-R631 IonicContact OE2-CZ 2.73Å; E629-R631 IonicContact OE2-NE 3.91Å; E629-R631 IonicContact OE2-NH2 2.72Å; E629-R631 PolarHBondContact OE2-NH2 3.33Å
632	T	93.3	Very high	87.9	Confident	23 Å²	23	56.3 Å²	56.3	14%	0.141	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.3	156.7	175.7	-166.1	0	0	0	0	111.1	L584 A585 F587 Y611 V634	L584-T632 WeakPolarHBondContact CA-O 3.39Å; A585-T632 HydrophobicContact CB-CG2 4.32Å; A585-T632 PolarHBondContact N-O 2.97Å; A585-T632 PolarHBondContact O-N 3.38Å; F587-T632 HydrophobicContact CE2-CG2 3.99Å; Y611-T632 HydrophobicContact CD2-CG2 4.47Å; Y611-T632 HydrophobicContact CE2-CG2 3.73Å; Y611-T632 PolarHBondContact OH-OG1 3.35Å; T632-V634 HydrophobicContact CG2-CG1 4.01Å
633	N	92.7	Very high	87.9	Confident	117 Å²	117	54.8 Å²	54.8	63%	0.626	29%	0.285	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-75.5	142.9	170	-62.6	-10.5	0	0	0	108.9	G583 L584 Q613	G583-N633 CarbonylContact O-C 3.56Å; G583-N633 WeakPolarHBondContact O-CA 3.31Å; L584-N633 VanDerWaalsContact CD2-OD1 3.27Å; L584-N633 WeakPolarHBondContact CD2-OD1 3.09Å; Q613-N633 PolarHBondContact NE2-O 3.03Å
634	V	90.2	Very high	88.1	Confident	13 Å²	13	53.2 Å²	53.2	8%	0.079	28%	0.279	C	S	.	.			trans	-141.7	160.6	175.6	-63.3	0	0	0	0	110	G583 A585 Q613 T632 V642	G583-V634 CarbonylContact C-O 3.36Å; G583-V634 VanDerWaalsContact CA-O 3.23Å; G583-V634 WeakPolarHBondContact CA-O 3.16Å; G583-V634 PolarHBondContact O-N 3.32Å; G583-V634 VanDerWaalsContact O-O 3.1Å; A585-V634 HydrophobicContact CB-CB 4.46Å; A585-V634 HydrophobicContact CB-CG1 3.62Å; A585-V634 HydrophobicContact CB-CG2 3.95Å; Q613-V634 HydrophobicContact CG-CG1 4.37Å; T632-V634 HydrophobicContact CG2-CG1 4.01Å; V634-V642 HydrophobicContact CB-CG2 4.06Å; V634-V642 HydrophobicContact CG1-CG1 4.49Å; V634-V642 HydrophobicContact CG1-CG2 3.95Å; V634-V642 HydrophobicContact CG2-CG2 4.46Å
635	P	85.8	Confident	88.2	Confident	26 Å²	26	53.6 Å²	53.6	17%	0.169	28%	0.282	C	S	.	.	P	Polyproline II helix	trans	-52.9	141.6	171.1	-26.8	35.4	0	0	0	112.3	R578 Q613 E614 N640	R578-P635 PolarHBondContact NH2-O 2.99Å; Q613-P635 HydrophobicContact CB-CG 4.16Å; E614-P635 HydrophobicContact CG-CG 4.17Å; P635-N640 HydrophobicContact CB-CB 4.04Å; P635-N640 VanDerWaalsContact CB-ND2 3.34Å; P635-N640 WeakPolarHBondContact CB-ND2 3.36Å
636	K	85.5	Confident	88.4	Confident	119 Å²	119	49.5 Å²	49.5	52%	0.517	27%	0.265	S	S	.	.	P	Polyproline II helix	trans	-71.1	170.1	176.9	-65.8	-164.2	175.8	-154.2	0	111.5	Y580 E581 A582	Y580-K636 WeakPolarHBondContact O-CA 3.11Å; E581-K636 WeakPolarHBondContact O-CD 3.15Å; E581-K636 VanDerWaalsContact O-CE 3.24Å; E581-K636 WeakPolarHBondContact O-CE 3.46Å; E581-K636 PolarHBondContact O-NZ 2.95Å; A582-K636 WeakPolarHBondContact O-CE 3.35Å
637	A	73.6	Confident	88.6	Confident	37 Å²	37	48.4 Å²	48.4	31%	0.306	26%	0.256	S	S	.	.	T	Hydrogen-bonded Turn	trans	-52.3	158.1	168.6	0	0	0	0	0	113.1	Y580	Y580-A637 HydrophobicContact CD1-CB 4.42Å; Y580-A637 PolarHBondContact O-N 3.15Å; Y580-A637 VanDerWaalsContact O-N 3.13Å
638	P	70.8	Confident	89.1	Confident	77 Å²	77	46 Å²	46	50%	0.5	23%	0.231	S	C	.	.	T	Hydrogen-bonded Turn	cis	-99.9	-29.9	8.6	-6.3	27.1	0	0	0	116.4
639	Y	73.9	Confident	89.3	Confident	167 Å²	167	43.1 Å²	43.1	66%	0.655	22%	0.216	S	C	*	.	T	Hydrogen-bonded Turn	trans	-103.1	-14.7	-152.3	-55.9	-63.2	0	0	0	116.5
640	N	83.2	Confident	89.5	Confident	49 Å²	49	39.8 Å²	39.8	26%	0.262	20%	0.201	S	C	.	.			trans	-87.2	124.8	-171.6	-57.5	15.4	0	0	0	109.6	R578 E614 P635	R578-N640 PolarHBondContact NH1-O 3.05Å; R578-N640 PolarHBondContact NH2-O 3.09Å; E614-N640 HydrophobicContact CG-CB 4.4Å; E614-N640 WeakPolarHBondContact CG-ND2 3.44Å; E614-N640 PolarHBondContact OE1-ND2 3.19Å; P635-N640 HydrophobicContact CB-CB 4.04Å; P635-N640 VanDerWaalsContact CB-ND2 3.34Å; P635-N640 WeakPolarHBondContact CB-ND2 3.36Å
641	F	90.5	Very high	89.7	Confident	3 Å²	3	39.4 Å²	39.4	1%	0.013	20%	0.198	C	C	.	.			trans	-85.9	160.1	169.3	60.7	-85.3	0	0	0	111	Q613 P615 L643 L663 T664 Q667 I675	Q613-F641 CarbonylContact C-O 3.56Å; P615-F641 HydrophobicContact CB-CZ 4.18Å; P615-F641 HydrophobicContact CG-CE1 3.67Å; P615-F641 HydrophobicContact CG-CZ 3.58Å; F641-L643 HydrophobicContact CD2-CD2 3.65Å; F641-L643 HydrophobicContact CD2-CG 3.8Å; F641-L643 HydrophobicContact CE2-CD1 3.95Å; F641-L643 HydrophobicContact CE2-CD2 3.86Å; F641-L643 HydrophobicContact CE2-CG 3.67Å; F641-L663 HydrophobicContact CB-CB 3.85Å; F641-T664 WeakPolarHBondContact CB-OG1 3.38Å; F641-Q667 HydrophobicContact CD1-CB 3.96Å; F641-Q667 HydrophobicContact CD1-CG 4.36Å; F641-Q667 HydrophobicContact CE1-CB 3.53Å; F641-Q667 HydrophobicContact CE1-CG 3.44Å; F641-Q667 VanDerWaalsContact CE1-CG 3.44Å; F641-Q667 HydrophobicContact CZ-CB 4.2Å; F641-Q667 HydrophobicContact CZ-CG 3.79Å; F641-I675 HydrophobicContact CE2-CD1 3.98Å; F641-I675 HydrophobicContact CE2-CG1 4.16Å; F641-I675 HydrophobicContact CZ-CD1 3.81Å; F641-I675 HydrophobicContact CZ-CG1 3.87Å
642	V	93.2	Very high	89.8	Confident	0 Å²	0	32 Å²	32	0%	0	17%	0.17	C	C	.	.			trans	-120.9	125.7	172.6	-179.8	0	0	0	0	109.2	L576 Y611 Q612 V634 Y656 N660	L576-V642 HydrophobicContact CD2-CB 4.11Å; L576-V642 HydrophobicContact CD2-CG1 3.78Å; Y611-V642 HydrophobicContact CD2-CG1 4.48Å; Q612-V642 CarbonylContact O-C 3.54Å; Q612-V642 WeakPolarHBondContact O-CA 3.44Å; V634-V642 HydrophobicContact CB-CG2 4.06Å; V634-V642 HydrophobicContact CG1-CG1 4.49Å; V634-V642 HydrophobicContact CG1-CG2 3.95Å; V634-V642 HydrophobicContact CG2-CG2 4.46Å; V642-Y656 WeakPolarHBondContact O-CE1 3.4Å; V642-N660 PolarHBondContact N-OD1 3.42Å; V642-N660 PolarHBondContact O-ND2 3.09Å
643	L	94.3	Very high	90	Very high	1 Å²	1	31.3 Å²	31.3	1%	0.005	17%	0.165	C	C	.	.	B	Isolated β-bridge	trans	-95.5	142.3	170.8	-53.3	-177	0	0	0	109.2	Y611 Q612 F641 T664 I675 L683	Y611-L643 CarbonylContact C-O 3.38Å; Y611-L643 WeakPolarHBondContact CA-O 3.08Å; Y611-L643 WeakPolarHBondContact CB-O 3.34Å; Q612-L643 HydrophobicContact CB-CB 4.4Å; Q612-L643 PolarHBondContact N-O 3.1Å; Q612-L643 PolarHBondContact O-N 3.02Å; F641-L643 HydrophobicContact CD2-CD2 3.65Å; F641-L643 HydrophobicContact CD2-CG 3.8Å; F641-L643 HydrophobicContact CE2-CD1 3.95Å; F641-L643 HydrophobicContact CE2-CD2 3.86Å; F641-L643 HydrophobicContact CE2-CG 3.67Å; L643-T664 HydrophobicContact CD2-CG2 3.84Å; L643-I675 HydrophobicContact CD1-CG1 4.44Å; L643-I675 HydrophobicContact CD1-CG2 3.78Å; L643-L683 HydrophobicContact CD1-CD1 4.4Å; L643-L683 HydrophobicContact CD2-CD1 3.88Å; L643-L683 HydrophobicContact CD2-CD2 4.09Å; L643-L683 HydrophobicContact CD2-CG 4.41Å
644	A	95.6	Very high	90.2	Very high	0 Å²	0	25.8 Å²	25.8	0%	0	14%	0.135	C	C	.	.	S	Bend	trans	-124.4	3.6	177.9	0	0	0	0	0	114.6	L576 F587 I609 W610 Y652 V654 Y656	L576-A644 HydrophobicContact CD2-CB 4.22Å; F587-A644 HydrophobicContact CE1-CB 3.63Å; F587-A644 HydrophobicContact CZ-CB 4.39Å; I609-A644 HydrophobicContact CG2-CB 4.12Å; W610-A644 CarbonylContact O-C 3.6Å; A644-Y652 VanDerWaalsContact O-CE2 3.23Å; A644-Y652 WeakPolarHBondContact O-CE2 2.97Å; A644-Y652 PolarHBondContact O-OH 2.98Å; A644-V654 HydrophobicContact CB-CG1 4.08Å; A644-V654 HydrophobicContact CB-CG2 4.15Å; A644-Y656 HydrophobicContact CB-CE1 4.14Å; A644-Y656 PolarHBondContact N-OH 3.29Å
645	A	95.4	Very high	90.6	Very high	7 Å²	7	27 Å²	27	6%	0.058	14%	0.14	C	C	.	.	S	Bend	trans	-115.9	41.6	165.5	0	0	0	0	0	110.3	G647 A648 Y652 V654 Q682	A645-G647 PolarHBondContact O-N 3.47Å; A645-A648 WeakPolarHBondContact O-CA 3.48Å; A645-A648 PolarHBondContact O-N 2.72Å; A645-Y652 HydrophobicContact CB-CE2 4.05Å; A645-V654 HydrophobicContact CB-CG2 3.96Å; A645-Q682 HydrophobicContact CB-CG 3.93Å
646	A	93.7	Very high	91.1	Very high	0 Å²	0	26 Å²	26	0%	0	13%	0.133	C	C	.	.	G	3₁₀ helix	trans	-63.2	129.1	-174.4	0	0	0	0	0	111.2	W610 Q612 V619 A648	W610-A646 PolarHBondContact O-N 3.03Å; Q612-A646 HydrophobicContact CB-CB 3.89Å; V619-A646 HydrophobicContact CG1-CB 3.84Å; V619-A646 HydrophobicContact CG2-CB 4.01Å; A646-A648 PolarHBondContact O-N 2.63Å
647	G	91.9	Very high	91.6	Very high	8 Å²	8	21.8 Å²	21.8	8%	0.082	12%	0.116	C	C	.	.	G	3₁₀ helix	trans	68.2	8.2	-172	0	0	0	0	0	114.6	R501 A645 I649 S679	R501-G647 PolarHBondContact NH2-O 2.69Å; A645-G647 PolarHBondContact O-N 3.47Å; G647-I649 PolarHBondContact O-N 3.08Å; G647-S679 PolarHBondContact N-OG 2.97Å
648	A	95.9	Very high	92.6	Very high	1 Å²	1	24.8 Å²	24.8	1%	0.008	12%	0.123	C	C	.	.	G	3₁₀ helix	trans	48.3	42	-174.9	0	0	0	0	0	113.1	I455 M459 R501 A645 A646 K678 Q682	I455-A648 HydrophobicContact CD1-CB 3.73Å; I455-A648 HydrophobicContact CG1-CB 3.99Å; I455-A648 HydrophobicContact CG2-CB 4.14Å; M459-A648 HydrophobicContact CE-CB 3.97Å; M459-A648 WeakPolarHBondContact CE-O 3.31Å; R501-A648 PolarHBondContact NH1-O 3Å; A645-A648 WeakPolarHBondContact O-CA 3.48Å; A645-A648 PolarHBondContact O-N 2.72Å; A646-A648 PolarHBondContact O-N 2.63Å; A648-K678 HydrophobicContact CB-CB 4.27Å; A648-K678 WeakPolarHBondContact CB-O 3.36Å; A648-Q682 HydrophobicContact CB-CB 3.81Å; A648-Q682 HydrophobicContact CB-CG 4.27Å
649	I	95.4	Very high	93.7	Very high	19 Å²	19	23.5 Å²	23.5	10%	0.097	12%	0.119	C	C	.	.			trans	-81.2	-38.7	-166.5	-63.7	171.7	0	0	0	113.3	H505 W610 G647	H505-I649 HydrophobicContact CB-CG2 3.35Å; H505-I649 VanDerWaalsContact CG-CG2 3.41Å; W610-I649 HydrophobicContact CB-CD1 4.35Å; W610-I649 HydrophobicContact CD2-CB 3.78Å; W610-I649 HydrophobicContact CD2-CD1 4.29Å; W610-I649 HydrophobicContact CD2-CG2 3.64Å; W610-I649 HydrophobicContact CE3-CB 3.88Å; W610-I649 HydrophobicContact CE3-CG2 3.76Å; W610-I649 HydrophobicContact CG-CB 4.09Å; W610-I649 HydrophobicContact CG-CD1 3.87Å; W610-I649 HydrophobicContact CG-CG2 4.33Å; W610-I649 HydrophobicContact CH2-CG2 3.65Å; W610-I649 HydrophobicContact CZ2-CG2 3.54Å; W610-I649 HydrophobicContact CZ3-CB 4.31Å; W610-I649 HydrophobicContact CZ3-CG2 3.76Å; G647-I649 PolarHBondContact O-N 3.08Å
650	G	96.4	Very high	94.8	Very high	4 Å²	4	15.5 Å²	15.5	4%	0.041	9%	0.088	C	C	.	.	S	Bend	trans	-91.7	149.9	-175.9	0	0	0	0	0	113.4	Y652	G650-Y652 VanDerWaalsContact C-N 3.26Å; G650-Y652 PolarHBondContact O-N 3.4Å
651	Y	97.5	Very high	95.4	Very high	1 Å²	1	13.2 Å²	13.2	0%	0.004	8%	0.076	C	C	.	.	S	Bend	trans	-81.9	70.8	178.2	-173	-110.3	0	0	0	110.7	M459 A462 L463 D466 K495 A498 I499 W565 Y571	M459-Y651 HydrophobicContact CG-CD2 4.09Å; A462-Y651 HydrophobicContact CB-CE2 3.91Å; A462-Y651 PolarHBondContact O-OH 3.36Å; L463-Y651 HydrophobicContact CD2-CD1 4.39Å; L463-Y651 HydrophobicContact CD2-CD2 3.66Å; L463-Y651 HydrophobicContact CD2-CE1 4.26Å; L463-Y651 HydrophobicContact CD2-CE2 3.53Å; L463-Y651 HydrophobicContact CD2-CG 4.11Å; L463-Y651 HydrophobicContact CG-CD2 4.02Å; L463-Y651 HydrophobicContact CG-CE2 3.75Å; D466-Y651 WeakPolarHBondContact CB-OH 3.44Å; D466-Y651 WeakPolarHBondContact OD2-CE1 3.36Å; D466-Y651 PolarHBondContact OD2-OH 3.49Å; K495-Y651 HydrophobicContact CD-CE1 4.16Å; K495-Y651 HydrophobicContact CG-CE1 3.89Å; A498-Y651 HydrophobicContact CB-CD2 3.51Å; A498-Y651 HydrophobicContact CB-CE2 3.97Å; A498-Y651 HydrophobicContact CB-CG 4.29Å; I499-Y651 HydrophobicContact CD1-CD1 4.23Å; I499-Y651 HydrophobicContact CD1-CE1 4.44Å; I499-Y651 HydrophobicContact CG1-CD1 3.98Å; I499-Y651 HydrophobicContact CG1-CG 4.22Å; W565-Y651 HydrophobicContact CE3-CD1 4.22Å; W565-Y651 HydrophobicContact CZ3-CD1 4.02Å; W565-Y651 VanDerWaalsContact CZ3-O 3.25Å; W565-Y651 WeakPolarHBondContact CZ3-O 3.42Å; Y571-Y651 HydrophobicContact CD1-CE1 4.43Å; Y571-Y651 HydrophobicContact CG-CE1 4.34Å
652	Y	97.3	Very high	95.6	Very high	1 Å²	1	16.8 Å²	16.8	0%	0.004	9%	0.092	C	C	.	.			trans	-155.6	164.6	180	56.2	-106.8	0	0	0	111.1	P572 L574 V607 P608 I609 W610 A644 A645 G650 V654	P572-Y652 VanDerWaalsContact O-CB 3.26Å; P572-Y652 WeakPolarHBondContact O-CB 3.22Å; L574-Y652 HydrophobicContact CD1-CD1 4.13Å; L574-Y652 HydrophobicContact CD1-CD2 3.49Å; L574-Y652 VanDerWaalsContact CD1-CD2 3.49Å; L574-Y652 HydrophobicContact CD1-CE1 4.1Å; L574-Y652 HydrophobicContact CD1-CE2 3.48Å; L574-Y652 VanDerWaalsContact CD1-CE2 3.48Å; L574-Y652 HydrophobicContact CD1-CG 3.84Å; L574-Y652 HydrophobicContact CG-CD2 4.03Å; L574-Y652 HydrophobicContact CG-CE2 4.47Å; L574-Y652 HydrophobicContact CG-CG 4.19Å; V607-Y652 HydrophobicContact CG1-CD1 3.64Å; V607-Y652 HydrophobicContact CG1-CE1 3.88Å; V607-Y652 HydrophobicContact CG1-CG 4.5Å; P608-Y652 WeakPolarHBondContact O-CE1 3.47Å; I609-Y652 WeakPolarHBondContact CA-OH 3.43Å; W610-Y652 PolarHBondContact N-OH 2.9Å; W610-Y652 VanDerWaalsContact N-OH 3.13Å; A644-Y652 VanDerWaalsContact O-CE2 3.23Å; A644-Y652 WeakPolarHBondContact O-CE2 2.97Å; A644-Y652 PolarHBondContact O-OH 2.98Å; A645-Y652 HydrophobicContact CB-CE2 4.05Å; G650-Y652 VanDerWaalsContact C-N 3.26Å; G650-Y652 PolarHBondContact O-N 3.4Å; Y652-V654 HydrophobicContact CD2-CG2 3.86Å; Y652-V654 HydrophobicContact CE2-CG2 3.72Å
653	R	97.3	Very high	95.7	Very high	8 Å²	8	18 Å²	18	3%	0.03	10%	0.099	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.8	155.6	167.7	-65.8	-164.5	166.2	131.7	-18.3	110.1	L463 Y571 L574 D685 D686 S689	L463-R653 HydrophobicContact CD1-CG 4.23Å; L463-R653 PolarHBondContact O-NH1 3Å; L463-R653 VanDerWaalsContact O-NH1 3.1Å; Y571-R653 HydrophobicContact CE2-CB 4.13Å; Y571-R653 HydrophobicContact CE2-CG 3.84Å; Y571-R653 PolarHBondContact OH-NH1 3.34Å; L574-R653 PolarHBondContact N-O 3.26Å; R653-D685 IonicContact CZ-OD2 3.88Å; R653-D685 IonicContact NE-OD2 3.97Å; R653-D685 PolarHBondContact NE-OD2 2.97Å; R653-D685 VanDerWaalsContact NE-OD2 3.07Å; R653-D685 VanDerWaalsContact NH2-CG 3.35Å; R653-D685 IonicContact NH2-OD1 3.41Å; R653-D685 PolarHBondContact NH2-OD1 3.25Å; R653-D685 IonicContact NH2-OD2 2.97Å; R653-D685 PolarHBondContact NH2-OD2 2.99Å; R653-D686 VanDerWaalsContact CB-OD1 3.29Å; R653-D686 WeakPolarHBondContact CB-OD1 3.29Å; R653-D686 WeakPolarHBondContact CG-OD1 3.42Å; R653-D686 IonicContact NE-OD1 3.47Å; R653-S689 PolarHBondContact NH2-OG 2.96Å
654	V	97.9	Very high	95.7	Very high	0 Å²	0	18 Å²	18	0%	0	10%	0.099	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.1	122.6	-176.9	-172.3	0	0	0	0	112.2	L574 L576 A644 A645 Y652 Y656 D686 L690	L574-V654 HydrophobicContact CB-CG1 4.48Å; L574-V654 HydrophobicContact CB-CG2 4.28Å; L574-V654 HydrophobicContact CD1-CG2 4.45Å; L574-V654 CarbonylContact O-C 3.4Å; L574-V654 WeakPolarHBondContact O-CA 3.44Å; L576-V654 HydrophobicContact CB-CG1 4.47Å; A644-V654 HydrophobicContact CB-CG1 4.08Å; A644-V654 HydrophobicContact CB-CG2 4.15Å; A645-V654 HydrophobicContact CB-CG2 3.96Å; Y652-V654 HydrophobicContact CD2-CG2 3.86Å; Y652-V654 HydrophobicContact CE2-CG2 3.72Å; V654-Y656 HydrophobicContact CB-CD2 4.39Å; V654-Y656 HydrophobicContact CB-CE1 4.47Å; V654-Y656 HydrophobicContact CB-CE2 3.71Å; V654-Y656 HydrophobicContact CG1-CD1 4.01Å; V654-Y656 HydrophobicContact CG1-CD2 3.96Å; V654-Y656 HydrophobicContact CG1-CE1 3.65Å; V654-Y656 HydrophobicContact CG1-CE2 3.59Å; V654-Y656 HydrophobicContact CG1-CG 4.15Å; V654-Y656 VanDerWaalsContact CG1-CZ 3.43Å; V654-D686 PolarHBondContact N-OD2 2.77Å; V654-L690 VanDerWaalsContact O-CD1 3.32Å; V654-L690 WeakPolarHBondContact O-CD1 3.42Å
655	Q	97.2	Very high	95.7	Very high	38 Å²	38	18.3 Å²	18.3	18%	0.178	10%	0.1	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.9	124.6	160.7	171.3	63.5	-27.9	0	0	109.8	L573 L574 T575 L576 L690 K695	L573-Q655 HydrophobicContact CD1-CB 4Å; L574-Q655 PolarHBondContact O-N 3.08Å; T575-Q655 CarbonylContact C-O 3.59Å; T575-Q655 WeakPolarHBondContact CA-O 3.1Å; L576-Q655 PolarHBondContact N-O 3.48Å; Q655-L690 HydrophobicContact CB-CD1 4.14Å; Q655-L690 HydrophobicContact CB-CD2 4.4Å; Q655-K695 PolarHBondContact NE2-O 3.22Å
656	Y	97.4	Very high	95.7	Very high	6 Å²	6	22.5 Å²	22.5	2%	0.024	12%	0.12	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.3	163.6	173.7	-54.9	-94.1	0	0	0	110.7	L576 V642 A644 V654 N660 W661 L683	L576-Y656 HydrophobicContact CB-CD1 4.14Å; L576-Y656 HydrophobicContact CD2-CD1 3.91Å; L576-Y656 HydrophobicContact CD2-CE1 4.07Å; L576-Y656 HydrophobicContact CG-CD1 4.46Å; V642-Y656 WeakPolarHBondContact O-CE1 3.4Å; A644-Y656 HydrophobicContact CB-CE1 4.14Å; A644-Y656 PolarHBondContact N-OH 3.29Å; V654-Y656 HydrophobicContact CB-CD2 4.39Å; V654-Y656 HydrophobicContact CB-CE1 4.47Å; V654-Y656 HydrophobicContact CB-CE2 3.71Å; V654-Y656 HydrophobicContact CG1-CD1 4.01Å; V654-Y656 HydrophobicContact CG1-CD2 3.96Å; V654-Y656 HydrophobicContact CG1-CE1 3.65Å; V654-Y656 HydrophobicContact CG1-CE2 3.59Å; V654-Y656 HydrophobicContact CG1-CG 4.15Å; V654-Y656 VanDerWaalsContact CG1-CZ 3.43Å; Y656-N660 WeakPolarHBondContact CD1-ND2 3.18Å; Y656-W661 AromaticContact CD2-CD2 3.98Å; Y656-W661 HydrophobicContact CD2-CD2 3.98Å; Y656-W661 AromaticContact CD2-CE2 3.64Å; Y656-W661 HydrophobicContact CD2-CE3 4.2Å; Y656-W661 AromaticContact CD2-CH2 3.85Å; Y656-W661 HydrophobicContact CD2-CH2 3.85Å; Y656-W661 AromaticContact CD2-CZ2 3.6Å; Y656-W661 HydrophobicContact CD2-CZ2 3.6Å; Y656-W661 HydrophobicContact CD2-CZ3 4.14Å; Y656-W661 HydrophobicContact CE2-CH2 4.08Å; Y656-W661 HydrophobicContact CE2-CZ2 4.24Å; Y656-W661 HydrophobicContact CE2-CZ3 4.36Å; Y656-W661 PolarHBondContact O-NE1 3.27Å; Y656-L683 HydrophobicContact CE2-CD2 4.2Å
657	D	95.5	Very high	95.7	Very high	30 Å²	30	24.2 Å²	24.2	16%	0.16	13%	0.128	C	C	.	.	P	Polyproline II helix	trans	-66.1	150.9	163.1	65.1	74.1	0	0	0	111.6	L576 R578 Y580 A659 N660 W661	L576-D657 PolarHBondContact O-N 2.78Å; L576-D657 VanDerWaalsContact O-N 3.09Å; R578-D657 PolarHBondContact N-OD2 3.42Å; Y580-D657 PolarHBondContact OH-OD1 2.96Å; D657-A659 VanDerWaalsContact C-N 3.29Å; D657-A659 PolarHBondContact O-N 3.12Å; D657-N660 WeakPolarHBondContact O-CB 3.39Å; D657-N660 PolarHBondContact O-N 3.28Å; D657-N660 PolarHBondContact OD1-N 2.95Å; D657-N660 VanDerWaalsContact OD1-N 3.1Å; D657-W661 PolarHBondContact O-N 2.74Å
658	E	94.9	Very high	95.8	Very high	100 Å²	100	23.9 Å²	23.9	47%	0.467	12%	0.124	S	C	.	.	H	α-helix	trans	-53.6	-42.9	-173.3	-178.9	63.4	-152.2	0	0	112.4	N660 W661 Q662	E658-N660 VanDerWaalsContact C-N 3.3Å; E658-N660 PolarHBondContact O-N 3.29Å; E658-W661 PolarHBondContact O-N 2.87Å; E658-Q662 HydrophobicContact CG-CG 4.48Å; E658-Q662 VanDerWaalsContact O-CG 3.29Å; E658-Q662 WeakPolarHBondContact O-CG 3.4Å; E658-Q662 PolarHBondContact O-N 3.07Å; E658-Q662 PolarHBondContact OE1-NE2 2.99Å
659	A	94.1	Very high	95.8	Very high	50 Å²	50	27.4 Å²	27.4	41%	0.413	14%	0.14	S	C	.	.	H	α-helix	trans	-63.1	-37.1	178.6	0	0	0	0	0	112	Y580 D657 Q662 L663	Y580-A659 HydrophobicContact CE2-CB 4.17Å; D657-A659 VanDerWaalsContact C-N 3.29Å; D657-A659 PolarHBondContact O-N 3.12Å; A659-Q662 PolarHBondContact O-N 3.13Å; A659-L663 VanDerWaalsContact O-CG 3.3Å; A659-L663 WeakPolarHBondContact O-CG 3.49Å; A659-L663 PolarHBondContact O-N 2.81Å
660	N	95.5	Very high	95.7	Very high	0 Å²	0	31.5 Å²	31.5	0%	0	17%	0.166	C	C	.	.	H	α-helix	trans	-71.2	-37.5	177.2	-165.8	86.1	0	0	0	112.1	R578 Y580 V642 Y656 D657 E658 T664	R578-N660 WeakPolarHBondContact CD-OD1 3.43Å; R578-N660 PolarHBondContact NH1-OD1 3.47Å; Y580-N660 WeakPolarHBondContact OH-CA 3.14Å; Y580-N660 WeakPolarHBondContact OH-CB 3.44Å; Y580-N660 PolarHBondContact OH-N 3.24Å; V642-N660 PolarHBondContact N-OD1 3.42Å; V642-N660 PolarHBondContact O-ND2 3.09Å; Y656-N660 WeakPolarHBondContact CD1-ND2 3.18Å; D657-N660 WeakPolarHBondContact O-CB 3.39Å; D657-N660 PolarHBondContact O-N 3.28Å; D657-N660 PolarHBondContact OD1-N 2.95Å; D657-N660 VanDerWaalsContact OD1-N 3.1Å; E658-N660 VanDerWaalsContact C-N 3.3Å; E658-N660 PolarHBondContact O-N 3.29Å; N660-T664 WeakPolarHBondContact O-CB 3.23Å; N660-T664 PolarHBondContact O-N 2.97Å; N660-T664 PolarHBondContact O-OG1 3.17Å
661	W	96.5	Very high	95.6	Very high	0 Å²	0	35.6 Å²	35.6	0%	0	18%	0.184	C	C	.	.	H	α-helix	trans	-60.8	-47.7	170.7	-81.3	119.8	0	0	0	111.6	Y656 D657 E658 L663 T664 N665 L683 D686 A687 L690 L696 L700 M704	Y656-W661 AromaticContact CD2-CD2 3.98Å; Y656-W661 HydrophobicContact CD2-CD2 3.98Å; Y656-W661 AromaticContact CD2-CE2 3.64Å; Y656-W661 HydrophobicContact CD2-CE3 4.2Å; Y656-W661 AromaticContact CD2-CH2 3.85Å; Y656-W661 HydrophobicContact CD2-CH2 3.85Å; Y656-W661 AromaticContact CD2-CZ2 3.6Å; Y656-W661 HydrophobicContact CD2-CZ2 3.6Å; Y656-W661 HydrophobicContact CD2-CZ3 4.14Å; Y656-W661 HydrophobicContact CE2-CH2 4.08Å; Y656-W661 HydrophobicContact CE2-CZ2 4.24Å; Y656-W661 HydrophobicContact CE2-CZ3 4.36Å; Y656-W661 PolarHBondContact O-NE1 3.27Å; D657-W661 PolarHBondContact O-N 2.74Å; E658-W661 PolarHBondContact O-N 2.87Å; W661-L663 PolarHBondContact O-N 3.41Å; W661-T664 WeakPolarHBondContact O-CB 3.03Å; W661-T664 PolarHBondContact O-N 3.23Å; W661-T664 VanDerWaalsContact O-N 3.14Å; W661-N665 WeakPolarHBondContact O-CB 3.33Å; W661-N665 PolarHBondContact O-N 3.36Å; W661-L683 HydrophobicContact CZ3-CD2 3.92Å; W661-D686 HydrophobicContact CH2-CB 4.17Å; W661-A687 HydrophobicContact CH2-CB 4.11Å; W661-A687 HydrophobicContact CZ3-CB 4.13Å; W661-L690 HydrophobicContact CH2-CD1 4.47Å; W661-L690 HydrophobicContact CZ2-CD1 3.81Å; W661-L696 HydrophobicContact CD2-CD1 4.32Å; W661-L696 HydrophobicContact CD2-CD2 4.39Å; W661-L696 HydrophobicContact CG-CD1 4.19Å; W661-L696 HydrophobicContact CH2-CD2 4.37Å; W661-L696 HydrophobicContact CZ2-CD1 4.45Å; W661-L696 HydrophobicContact CZ2-CD2 3.99Å; W661-L700 HydrophobicContact CB-CD1 4.42Å; W661-L700 HydrophobicContact CB-CD2 3.76Å; W661-L700 HydrophobicContact CG-CD2 4.09Å; W661-M704 HydrophobicContact CE3-CE 4.22Å; W661-M704 HydrophobicContact CE3-SD 3.65Å; W661-M704 HydrophobicContact CZ3-CE 3.89Å; W661-M704 HydrophobicContact CZ3-SD 3.68Å
662	Q	95.4	Very high	95.4	Very high	79 Å²	79	36 Å²	36	37%	0.369	19%	0.186	S	C	.	.	H	α-helix	trans	-63.3	-41	-179.9	-65.6	-65.9	-9.3	0	0	112.2	E658 A659 T664 N665 M666	E658-Q662 HydrophobicContact CG-CG 4.48Å; E658-Q662 VanDerWaalsContact O-CG 3.29Å; E658-Q662 WeakPolarHBondContact O-CG 3.4Å; E658-Q662 PolarHBondContact O-N 3.07Å; E658-Q662 PolarHBondContact OE1-NE2 2.99Å; A659-Q662 PolarHBondContact O-N 3.13Å; Q662-T664 VanDerWaalsContact C-N 3.33Å; Q662-T664 PolarHBondContact O-N 3.39Å; Q662-N665 PolarHBondContact O-N 3.32Å; Q662-M666 WeakPolarHBondContact O-CB 3.18Å; Q662-M666 PolarHBondContact O-N 3.25Å
663	L	94	Very high	95.2	Very high	26 Å²	26	42.7 Å²	42.7	14%	0.136	22%	0.218	C	C	.	.	H	α-helix	trans	-62.8	-38.1	172.7	-71.2	171.5	0	0	0	112.4	Y580 F641 A659 W661 M666 Q667	Y580-L663 HydrophobicContact CE1-CD1 4.19Å; F641-L663 HydrophobicContact CB-CB 3.85Å; A659-L663 VanDerWaalsContact O-CG 3.3Å; A659-L663 WeakPolarHBondContact O-CG 3.49Å; A659-L663 PolarHBondContact O-N 2.81Å; W661-L663 PolarHBondContact O-N 3.41Å; L663-M666 HydrophobicContact CD2-CE 4.08Å; L663-Q667 PolarHBondContact O-N 3.42Å
664	T	94.9	Very high	94.9	Very high	0 Å²	0	45.3 Å²	45.3	0%	0	23%	0.232	C	C	.	.	H	α-helix	trans	-68.9	-43.2	177.2	-54.3	0	0	0	0	111.5	F641 L643 N660 W661 Q662 M666 Q667 L668 L683	F641-T664 WeakPolarHBondContact CB-OG1 3.38Å; L643-T664 HydrophobicContact CD2-CG2 3.84Å; N660-T664 WeakPolarHBondContact O-CB 3.23Å; N660-T664 PolarHBondContact O-N 2.97Å; N660-T664 PolarHBondContact O-OG1 3.17Å; W661-T664 WeakPolarHBondContact O-CB 3.03Å; W661-T664 PolarHBondContact O-N 3.23Å; W661-T664 VanDerWaalsContact O-N 3.14Å; Q662-T664 VanDerWaalsContact C-N 3.33Å; Q662-T664 PolarHBondContact O-N 3.39Å; T664-M666 VanDerWaalsContact C-N 3.35Å; T664-M666 PolarHBondContact O-N 3.23Å; T664-Q667 PolarHBondContact O-N 3.3Å; T664-L668 WeakPolarHBondContact O-CG 3.36Å; T664-L668 PolarHBondContact O-N 2.77Å; T664-L683 HydrophobicContact CG2-CD1 3.62Å; T664-L683 HydrophobicContact CG2-CD2 3.89Å; T664-L683 HydrophobicContact CG2-CG 4.4Å
665	N	96	Very high	94.7	Very high	7 Å²	7	45.3 Å²	45.3	4%	0.037	23%	0.232	C	C	.	.	H	α-helix	trans	-59.9	-43.6	174.5	-176.7	21.7	0	0	0	111.5	W661 Q662 L668 Q669 D703 M704	W661-N665 WeakPolarHBondContact O-CB 3.33Å; W661-N665 PolarHBondContact O-N 3.36Å; Q662-N665 PolarHBondContact O-N 3.32Å; N665-L668 PolarHBondContact O-N 3.42Å; N665-Q669 WeakPolarHBondContact O-CG 3.4Å; N665-Q669 PolarHBondContact O-N 3.11Å; N665-Q669 VanDerWaalsContact O-N 3.1Å; N665-Q669 PolarHBondContact OD1-NE2 2.86Å; N665-D703 PolarHBondContact OD1-O 2.85Å; N665-M704 HydrophobicContact CB-CG 4.09Å
666	M	94.7	Very high	94.4	Very high	95 Å²	95	46.9 Å²	46.9	47%	0.468	24%	0.241	S	C	.	.	H	α-helix	trans	-60.8	-44.9	173.7	-173.7	-177	71.5	0	0	112	Q662 L663 T664 L668 Q669 V670	Q662-M666 WeakPolarHBondContact O-CB 3.18Å; Q662-M666 PolarHBondContact O-N 3.25Å; L663-M666 HydrophobicContact CD2-CE 4.08Å; T664-M666 VanDerWaalsContact C-N 3.35Å; T664-M666 PolarHBondContact O-N 3.23Å; M666-L668 VanDerWaalsContact C-N 3.34Å; M666-L668 PolarHBondContact O-N 3.43Å; M666-Q669 PolarHBondContact O-N 3.06Å; M666-V670 HydrophobicContact CG-CG2 4.3Å; M666-V670 WeakPolarHBondContact O-CB 3.48Å; M666-V670 VanDerWaalsContact O-CG2 3.32Å; M666-V670 WeakPolarHBondContact O-CG2 3.29Å; M666-V670 PolarHBondContact O-N 3.18Å
667	Q	93.6	Very high	94.2	Very high	35 Å²	35	47.5 Å²	47.5	16%	0.164	25%	0.246	C	C	.	.	H	α-helix	trans	-60.5	-42.6	176.4	-179.7	65	56.8	0	0	112.1	P615 F641 L663 T664 Q669 V670 Q671 I675	P615-Q667 HydrophobicContact CG-CG 4.28Å; F641-Q667 HydrophobicContact CD1-CB 3.96Å; F641-Q667 HydrophobicContact CD1-CG 4.36Å; F641-Q667 HydrophobicContact CE1-CB 3.53Å; F641-Q667 HydrophobicContact CE1-CG 3.44Å; F641-Q667 VanDerWaalsContact CE1-CG 3.44Å; F641-Q667 HydrophobicContact CZ-CB 4.2Å; F641-Q667 HydrophobicContact CZ-CG 3.79Å; L663-Q667 PolarHBondContact O-N 3.42Å; T664-Q667 PolarHBondContact O-N 3.3Å; Q667-Q669 VanDerWaalsContact C-N 3.34Å; Q667-Q669 PolarHBondContact O-N 3.39Å; Q667-V670 PolarHBondContact O-N 2.87Å; Q667-Q671 PolarHBondContact NE2-O 3.01Å; Q667-Q671 CarbonylContact O-C 3.59Å; Q667-Q671 PolarHBondContact O-N 3.43Å; Q667-I675 HydrophobicContact CB-CD1 4.19Å; Q667-I675 HydrophobicContact CG-CD1 3.69Å; Q667-I675 HydrophobicContact CG-CG1 4.12Å
668	L	95.2	Very high	94.1	Very high	1 Å²	1	47.8 Å²	47.8	1%	0.005	25%	0.246	C	C	.	.	H	α-helix	trans	-60.5	-43.8	177.7	-71	169.7	0	0	0	111.4	T664 N665 M666 H672 I675 R680 M704 Y707	T664-L668 WeakPolarHBondContact O-CG 3.36Å; T664-L668 PolarHBondContact O-N 2.77Å; N665-L668 PolarHBondContact O-N 3.42Å; M666-L668 VanDerWaalsContact C-N 3.34Å; M666-L668 PolarHBondContact O-N 3.43Å; L668-H672 HydrophobicContact CD2-CB 3.96Å; L668-H672 WeakPolarHBondContact O-CB 3.45Å; L668-H672 PolarHBondContact O-N 3.18Å; L668-I675 HydrophobicContact CD2-CD1 4.06Å; L668-I675 HydrophobicContact CG-CD1 4.34Å; L668-R680 HydrophobicContact CD2-CG 4.06Å; L668-M704 HydrophobicContact CD1-CE 3.86Å; L668-Y707 HydrophobicContact CB-CD1 3.75Å; L668-Y707 HydrophobicContact CB-CE1 4.26Å; L668-Y707 HydrophobicContact CB-CG 3.92Å; L668-Y707 HydrophobicContact CD1-CD1 4.15Å; L668-Y707 HydrophobicContact CD1-CE1 3.94Å; L668-Y707 HydrophobicContact CD2-CD1 4.4Å; L668-Y707 HydrophobicContact CD2-CE1 4.12Å; L668-Y707 HydrophobicContact CD2-CE2 4.34Å; L668-Y707 HydrophobicContact CG-CD1 4.32Å; L668-Y707 HydrophobicContact CG-CE1 4.34Å; L668-Y707 VanDerWaalsContact O-CB 3.3Å; L668-Y707 WeakPolarHBondContact O-CB 3.26Å
669	Q	95.1	Very high	94.1	Very high	75 Å²	75	43.2 Å²	43.2	35%	0.35	22%	0.224	S	C	.	.	H	α-helix	trans	-71.5	-32.2	179.5	-67.9	177.7	52.4	0	0	113.5	N665 M666 Q667 K706 Q710	N665-Q669 WeakPolarHBondContact O-CG 3.4Å; N665-Q669 PolarHBondContact O-N 3.11Å; N665-Q669 VanDerWaalsContact O-N 3.1Å; N665-Q669 PolarHBondContact OD1-NE2 2.86Å; M666-Q669 PolarHBondContact O-N 3.06Å; Q667-Q669 VanDerWaalsContact C-N 3.34Å; Q667-Q669 PolarHBondContact O-N 3.39Å; Q669-K706 HydrophobicContact CG-CB 4.3Å; Q669-Q710 PolarHBondContact O-NE2 3.48Å
670	V	93.7	Very high	94.2	Very high	106 Å²	106	41.5 Å²	41.5	64%	0.642	21%	0.208	S	C	*	.	H	α-helix	trans	-81.9	-48	-179.6	171.5	0	0	0	0	112.4	M666 Q667	M666-V670 HydrophobicContact CG-CG2 4.3Å; M666-V670 WeakPolarHBondContact O-CB 3.48Å; M666-V670 VanDerWaalsContact O-CG2 3.32Å; M666-V670 WeakPolarHBondContact O-CG2 3.29Å; M666-V670 PolarHBondContact O-N 3.18Å; Q667-V670 PolarHBondContact O-N 2.87Å
671	Q	93.1	Very high	94.3	Very high	89 Å²	89	41.5 Å²	41.5	42%	0.416	21%	0.208	S	C	.	.	H	α-helix	trans	-161.6	82.6	178.3	-165	178.8	5.2	0	0	110.5	Q667 E673 L674	Q667-Q671 PolarHBondContact NE2-O 3.01Å; Q667-Q671 CarbonylContact O-C 3.59Å; Q667-Q671 PolarHBondContact O-N 3.43Å; Q671-E673 VanDerWaalsContact C-N 3.29Å; Q671-E673 PolarHBondContact O-N 2.95Å; Q671-L674 HydrophobicContact CG-CD1 4.37Å; Q671-L674 HydrophobicContact CG-CG 3.99Å
672	H	94.8	Very high	94.3	Very high	9 Å²	9	41.6 Å²	41.6	4%	0.042	21%	0.208	C	C	.	.	G	3₁₀ helix	trans	-60	-33.7	-179.8	67.4	107.6	0	0	0	113.8	L668 L674 I675 R680 Y707 E711	L668-H672 HydrophobicContact CD2-CB 3.96Å; L668-H672 WeakPolarHBondContact O-CB 3.45Å; L668-H672 PolarHBondContact O-N 3.18Å; H672-L674 PolarHBondContact O-N 3.11Å; H672-L674 VanDerWaalsContact O-N 3.08Å; H672-I675 PolarHBondContact O-N 3.42Å; H672-R680 WeakPolarHBondContact O-CD 3.4Å; H672-Y707 HydrophobicContact CB-CD2 3.58Å; H672-Y707 HydrophobicContact CB-CE2 3.86Å; H672-Y707 HydrophobicContact CB-CG 4.39Å; H672-Y707 AromaticContact CG-CD2 3.67Å; H672-Y707 AromaticContact CG-CE2 3.97Å; H672-Y707 AromaticContact ND1-CE2 3.96Å; H672-E711 IonicContact CE1-OE1 3.54Å; H672-E711 IonicContact CE1-OE2 3.57Å; H672-E711 IonicContact ND1-OE1 2.88Å; H672-E711 IonicContact ND1-OE2 3.71Å; H672-E711 PolarHBondContact ND1-OE2 3.15Å
673	E	93.4	Very high	94.5	Very high	143 Å²	143	38.1 Å²	38.1	67%	0.668	19%	0.192	S	C	*	.	G	3₁₀ helix	trans	-58.1	-26.1	-173.9	-62.5	-172.3	136.1	0	0	114.7	Q671 I675	Q671-E673 VanDerWaalsContact C-N 3.29Å; Q671-E673 PolarHBondContact O-N 2.95Å; E673-I675 PolarHBondContact O-N 3.2Å
674	L	91	Very high	94.6	Very high	62 Å²	62	36.9 Å²	36.9	33%	0.325	19%	0.185	S	C	.	.	G	3₁₀ helix	trans	-70.4	-19.9	176.9	-58.7	-177.8	0	0	0	113.1	P615 Q671 H672	P615-L674 CarbonylContact C-O 3.18Å; P615-L674 HydrophobicContact CB-CB 3.4Å; P615-L674 VanDerWaalsContact CB-CB 3.4Å; P615-L674 HydrophobicContact CB-CD1 4.05Å; P615-L674 HydrophobicContact CB-CG 4.38Å; P615-L674 HydrophobicContact CG-CB 4.36Å; P615-L674 HydrophobicContact CG-CD1 4.34Å; Q671-L674 HydrophobicContact CG-CD1 4.37Å; Q671-L674 HydrophobicContact CG-CG 3.99Å; H672-L674 PolarHBondContact O-N 3.11Å; H672-L674 VanDerWaalsContact O-N 3.08Å
675	I	92.5	Very high	94.8	Very high	0 Å²	0	36.9 Å²	36.9	0%	0	19%	0.185	C	C	.	.	S	Bend	trans	-91.5	119.9	170.4	-63.6	171.2	0	0	0	107.4	F641 L643 Q667 L668 H672 E673 V677 R680 L683	F641-I675 HydrophobicContact CE2-CD1 3.98Å; F641-I675 HydrophobicContact CE2-CG1 4.16Å; F641-I675 HydrophobicContact CZ-CD1 3.81Å; F641-I675 HydrophobicContact CZ-CG1 3.87Å; L643-I675 HydrophobicContact CD1-CG1 4.44Å; L643-I675 HydrophobicContact CD1-CG2 3.78Å; Q667-I675 HydrophobicContact CB-CD1 4.19Å; Q667-I675 HydrophobicContact CG-CD1 3.69Å; Q667-I675 HydrophobicContact CG-CG1 4.12Å; L668-I675 HydrophobicContact CD2-CD1 4.06Å; L668-I675 HydrophobicContact CG-CD1 4.34Å; H672-I675 PolarHBondContact O-N 3.42Å; E673-I675 PolarHBondContact O-N 3.2Å; I675-V677 PolarHBondContact O-N 3.44Å; I675-R680 HydrophobicContact CB-CG 4.03Å; I675-R680 HydrophobicContact CG2-CG 3.7Å; I675-R680 WeakPolarHBondContact O-CG 3.45Å; I675-R680 PolarHBondContact O-NH1 3.4Å; I675-L683 HydrophobicContact CG2-CD1 4.36Å
676	D	92.1	Very high	94.9	Very high	71 Å²	71	36.6 Å²	36.6	38%	0.38	18%	0.184	S	C	.	.			trans	-49.8	137.4	176.9	174.1	-89.6	0	0	0	111.9	K678 S679 R680	D676-K678 PolarHBondContact O-N 3.09Å; D676-K678 VanDerWaalsContact O-N 3.13Å; D676-K678 WeakPolarHBondContact OD1-CB 3.45Å; D676-K678 WeakPolarHBondContact OD1-CE 3.34Å; D676-K678 WeakPolarHBondContact OD1-CG 3.41Å; D676-K678 PolarHBondContact OD1-N 3.37Å; D676-S679 WeakPolarHBondContact O-CA 3.5Å; D676-S679 WeakPolarHBondContact O-CB 3.46Å; D676-S679 PolarHBondContact O-N 3.44Å; D676-R680 PolarHBondContact O-N 2.75Å
677	V	93.2	Very high	95.1	Very high	20 Å²	20	32.1 Å²	32.1	12%	0.121	16%	0.162	C	C	.	.	H	α-helix	trans	-60.3	-30	-170.6	69.3	0	0	0	0	113.3	I675 S679 R680 A681 D713 A716	I675-V677 PolarHBondContact O-N 3.44Å; V677-S679 VanDerWaalsContact C-N 3.3Å; V677-S679 PolarHBondContact O-N 2.88Å; V677-R680 PolarHBondContact O-N 3.3Å; V677-R680 VanDerWaalsContact O-N 3.11Å; V677-A681 WeakPolarHBondContact O-CB 3.47Å; V677-A681 PolarHBondContact O-N 2.9Å; V677-D713 HydrophobicContact CG2-CB 3.73Å; V677-A716 HydrophobicContact CG2-CB 4.16Å
678	K	93.2	Very high	95.3	Very high	36 Å²	36	30.7 Å²	30.7	16%	0.157	16%	0.155	C	C	.	.	H	α-helix	trans	-64.3	-40.7	176	-57.3	177.5	-68.9	179.9	0	110	E451 I455 A648 D676 Q682	E451-K678 HydrophobicContact CB-CD 3.61Å; E451-K678 HydrophobicContact CG-CD 4.37Å; E451-K678 IonicContact OE1-NZ 2.68Å; E451-K678 PolarHBondContact OE1-NZ 2.97Å; E451-K678 IonicContact OE2-NZ 3.17Å; E451-K678 PolarHBondContact OE2-NZ 2.71Å; I455-K678 HydrophobicContact CD1-CB 3.49Å; I455-K678 VanDerWaalsContact CD1-CB 3.49Å; I455-K678 HydrophobicContact CD1-CD 3.79Å; I455-K678 HydrophobicContact CD1-CG 3.54Å; A648-K678 HydrophobicContact CB-CB 4.27Å; A648-K678 WeakPolarHBondContact CB-O 3.36Å; D676-K678 PolarHBondContact O-N 3.09Å; D676-K678 VanDerWaalsContact O-N 3.13Å; D676-K678 WeakPolarHBondContact OD1-CB 3.45Å; D676-K678 WeakPolarHBondContact OD1-CE 3.34Å; D676-K678 WeakPolarHBondContact OD1-CG 3.41Å; D676-K678 PolarHBondContact OD1-N 3.37Å; K678-Q682 PolarHBondContact O-N 3.17Å
679	S	95.2	Very high	95.3	Very high	3 Å²	3	31.3 Å²	31.3	2%	0.021	16%	0.159	C	C	.	.	H	α-helix	trans	-64.7	-40.3	171.1	-46.6	0	0	0	0	112	G647 D676 V677 Q682 L683	G647-S679 PolarHBondContact N-OG 2.97Å; D676-S679 WeakPolarHBondContact O-CA 3.5Å; D676-S679 WeakPolarHBondContact O-CB 3.46Å; D676-S679 PolarHBondContact O-N 3.44Å; V677-S679 VanDerWaalsContact C-N 3.3Å; V677-S679 PolarHBondContact O-N 2.88Å; S679-Q682 PolarHBondContact O-N 3.28Å; S679-L683 WeakPolarHBondContact O-CB 3.45Å; S679-L683 VanDerWaalsContact O-CG 3.27Å; S679-L683 WeakPolarHBondContact O-CG 3.35Å; S679-L683 PolarHBondContact O-N 3.33Å
680	R	96.3	Very high	95.3	Very high	15 Å²	15	28 Å²	28	6%	0.057	14%	0.144	C	C	.	.	H	α-helix	trans	-63.2	-43.2	176.4	-56.9	-160.7	-61	-96.8	12.9	112.4	L668 H672 I675 D676 V677 L683 L684 E711	L668-R680 HydrophobicContact CD2-CG 4.06Å; H672-R680 WeakPolarHBondContact O-CD 3.4Å; I675-R680 HydrophobicContact CB-CG 4.03Å; I675-R680 HydrophobicContact CG2-CG 3.7Å; I675-R680 WeakPolarHBondContact O-CG 3.45Å; I675-R680 PolarHBondContact O-NH1 3.4Å; D676-R680 PolarHBondContact O-N 2.75Å; V677-R680 PolarHBondContact O-N 3.3Å; V677-R680 VanDerWaalsContact O-N 3.11Å; R680-L683 PolarHBondContact O-N 3.44Å; R680-L684 PolarHBondContact O-N 2.95Å; R680-E711 IonicContact CZ-OE1 3.61Å; R680-E711 IonicContact CZ-OE2 3.84Å; R680-E711 IonicContact NE-OE2 3.74Å; R680-E711 PolarHBondContact NE-OE2 3.44Å; R680-E711 IonicContact NH2-OE1 3.2Å; R680-E711 PolarHBondContact NH2-OE1 2.98Å; R680-E711 IonicContact NH2-OE2 4Å; R680-E711 PolarHBondContact NH2-OE2 2.89Å
681	A	96.7	Very high	95.4	Very high	0 Å²	0	22.9 Å²	22.9	0%	0	11%	0.113	C	C	.	.	H	α-helix	trans	-65.3	-38.3	176.7	0	0	0	0	0	112.2	Q460 V677 D685 T715 V719	Q460-A681 PolarHBondContact NE2-O 3.45Å; Q460-A681 VanDerWaalsContact NE2-O 3.16Å; V677-A681 WeakPolarHBondContact O-CB 3.47Å; V677-A681 PolarHBondContact O-N 2.9Å; A681-D685 WeakPolarHBondContact O-CB 3.5Å; A681-D685 PolarHBondContact O-N 3.13Å; A681-T715 HydrophobicContact CB-CG2 3.83Å; A681-V719 HydrophobicContact CB-CG2 3.9Å
682	Q	97.4	Very high	95.3	Very high	1 Å²	1	20.4 Å²	20.4	1%	0.005	10%	0.1	C	C	.	.	H	α-helix	trans	-73.3	-35	174.1	-162.1	57.8	44.3	0	0	112.9	M459 A645 A648 K678 S679 D685 D686	M459-Q682 VanDerWaalsContact CE-OE1 3.29Å; A645-Q682 HydrophobicContact CB-CG 3.93Å; A648-Q682 HydrophobicContact CB-CB 3.81Å; A648-Q682 HydrophobicContact CB-CG 4.27Å; K678-Q682 PolarHBondContact O-N 3.17Å; S679-Q682 PolarHBondContact O-N 3.28Å; Q682-D685 PolarHBondContact NE2-OD2 2.71Å; Q682-D685 PolarHBondContact O-N 2.97Å; Q682-D686 PolarHBondContact NE2-OD1 3.23Å; Q682-D686 VanDerWaalsContact O-CB 3.29Å; Q682-D686 WeakPolarHBondContact O-CB 3.33Å; Q682-D686 PolarHBondContact O-N 3.39Å
683	L	97.6	Very high	95.1	Very high	6 Å²	6	20.8 Å²	20.8	3%	0.031	10%	0.103	C	C	.	.	H	α-helix	trans	-61.4	-42.6	174.9	-83	168.1	0	0	0	112.6	L643 Y656 W661 T664 I675 S679 R680 A687 M704	L643-L683 HydrophobicContact CD1-CD1 4.4Å; L643-L683 HydrophobicContact CD2-CD1 3.88Å; L643-L683 HydrophobicContact CD2-CD2 4.09Å; L643-L683 HydrophobicContact CD2-CG 4.41Å; Y656-L683 HydrophobicContact CE2-CD2 4.2Å; W661-L683 HydrophobicContact CZ3-CD2 3.92Å; T664-L683 HydrophobicContact CG2-CD1 3.62Å; T664-L683 HydrophobicContact CG2-CD2 3.89Å; T664-L683 HydrophobicContact CG2-CG 4.4Å; I675-L683 HydrophobicContact CG2-CD1 4.36Å; S679-L683 WeakPolarHBondContact O-CB 3.45Å; S679-L683 VanDerWaalsContact O-CG 3.27Å; S679-L683 WeakPolarHBondContact O-CG 3.35Å; S679-L683 PolarHBondContact O-N 3.33Å; R680-L683 PolarHBondContact O-N 3.44Å; L683-A687 VanDerWaalsContact O-CB 3.23Å; L683-A687 WeakPolarHBondContact O-CB 3.37Å; L683-A687 PolarHBondContact O-N 2.91Å; L683-A687 VanDerWaalsContact O-N 3.08Å; L683-M704 HydrophobicContact CB-CE 3.92Å; L683-M704 HydrophobicContact CD2-CE 4.41Å
684	L	98.1	Very high	94.9	Very high	1 Å²	1	16.2 Å²	16.2	1%	0.005	10%	0.095	C	C	.	.	H	α-helix	trans	-63.7	-47.1	173.5	-75	172.1	0	0	0	111.4	R680 A687 F688 Y707 L708 A716 V719 A720	R680-L684 PolarHBondContact O-N 2.95Å; L684-A687 PolarHBondContact O-N 3.46Å; L684-F688 WeakPolarHBondContact O-CD2 3.45Å; L684-F688 PolarHBondContact O-N 3.38Å; L684-F688 VanDerWaalsContact O-N 3.14Å; L684-Y707 WeakPolarHBondContact CD1-OH 3.3Å; L684-Y707 HydrophobicContact CD2-CE1 4.3Å; L684-L708 HydrophobicContact CD1-CD2 4.32Å; L684-A716 HydrophobicContact CD1-CB 4.43Å; L684-V719 HydrophobicContact CB-CB 4.45Å; L684-V719 HydrophobicContact CB-CG1 3.72Å; L684-A720 HydrophobicContact CD1-CB 4.43Å
685	D	98.2	Very high	95	Very high	0 Å²	0	16.6 Å²	16.6	0%	0	9%	0.094	C	C	.	.	H	α-helix	trans	-66.1	-42.8	-177.3	-174.2	63	0	0	0	113.1	Q460 R653 A681 Q682 S689 V719 R722 H723	Q460-D685 HydrophobicContact CG-CB 4.26Å; Q460-D685 WeakPolarHBondContact CG-OD2 3.47Å; R653-D685 IonicContact CZ-OD2 3.88Å; R653-D685 IonicContact NE-OD2 3.97Å; R653-D685 PolarHBondContact NE-OD2 2.97Å; R653-D685 VanDerWaalsContact NE-OD2 3.07Å; R653-D685 VanDerWaalsContact NH2-CG 3.35Å; R653-D685 IonicContact NH2-OD1 3.41Å; R653-D685 PolarHBondContact NH2-OD1 3.25Å; R653-D685 IonicContact NH2-OD2 2.97Å; R653-D685 PolarHBondContact NH2-OD2 2.99Å; A681-D685 WeakPolarHBondContact O-CB 3.5Å; A681-D685 PolarHBondContact O-N 3.13Å; Q682-D685 PolarHBondContact NE2-OD2 2.71Å; Q682-D685 PolarHBondContact O-N 2.97Å; D685-S689 WeakPolarHBondContact O-CB 3.3Å; D685-S689 PolarHBondContact O-N 3.04Å; D685-S689 PolarHBondContact O-OG 3.12Å; D685-V719 HydrophobicContact CB-CG1 3.82Å; D685-R722 IonicContact OD1-CZ 2.75Å; D685-R722 IonicContact OD1-NH2 2.63Å; D685-R722 PolarHBondContact OD1-NH2 3.03Å; D685-H723 IonicContact OD1-CE1 2.68Å; D685-H723 IonicContact OD1-NE2 3.26Å; D685-H723 PolarHBondContact OD1-NE2 3.35Å
686	D	98.1	Very high	95.1	Very high	1 Å²	1	17.2 Å²	17.2	1%	0.005	10%	0.097	C	C	.	.	H	α-helix	trans	-60.5	-48.3	173.4	-78.1	5.5	0	0	0	110.4	R653 V654 W661 Q682 F688 S689 L690	R653-D686 VanDerWaalsContact CB-OD1 3.29Å; R653-D686 WeakPolarHBondContact CB-OD1 3.29Å; R653-D686 WeakPolarHBondContact CG-OD1 3.42Å; R653-D686 IonicContact NE-OD1 3.47Å; V654-D686 PolarHBondContact N-OD2 2.77Å; W661-D686 HydrophobicContact CH2-CB 4.17Å; Q682-D686 PolarHBondContact NE2-OD1 3.23Å; Q682-D686 VanDerWaalsContact O-CB 3.29Å; Q682-D686 WeakPolarHBondContact O-CB 3.33Å; Q682-D686 PolarHBondContact O-N 3.39Å; D686-F688 PolarHBondContact O-N 3.08Å; D686-S689 PolarHBondContact O-N 3.05Å; D686-L690 HydrophobicContact CB-CD1 4.33Å; D686-L690 WeakPolarHBondContact O-CB 3.44Å; D686-L690 WeakPolarHBondContact O-CD1 3.14Å; D686-L690 WeakPolarHBondContact O-CG 3.2Å; D686-L690 PolarHBondContact O-N 2.83Å
687	A	98.1	Very high	95.3	Very high	0 Å²	0	17.8 Å²	17.8	0%	0	10%	0.1	C	C	.	.	H	α-helix	trans	-60.9	-48.4	-176	0	0	0	0	0	112.7	W661 L683 L684 A691 L696 A701 M704	W661-A687 HydrophobicContact CH2-CB 4.11Å; W661-A687 HydrophobicContact CZ3-CB 4.13Å; L683-A687 VanDerWaalsContact O-CB 3.23Å; L683-A687 WeakPolarHBondContact O-CB 3.37Å; L683-A687 PolarHBondContact O-N 2.91Å; L683-A687 VanDerWaalsContact O-N 3.08Å; L684-A687 PolarHBondContact O-N 3.46Å; A687-A691 WeakPolarHBondContact O-CB 3.34Å; A687-A691 PolarHBondContact O-N 3.22Å; A687-L696 HydrophobicContact CB-CD2 3.88Å; A687-A701 HydrophobicContact CB-CB 4.18Å; A687-M704 HydrophobicContact CB-CE 4.35Å; A687-M704 HydrophobicContact CB-SD 3.76Å
688	F	97.5	Very high	95.5	Very high	6 Å²	6	17.2 Å²	17.2	3%	0.026	10%	0.096	C	C	.	.	H	α-helix	trans	-69.8	-36.8	178.6	-83.1	-89.6	0	0	0	112.9	L684 D686 A691 R692 Y698 A701 L702 T705 H723 L727	L684-F688 WeakPolarHBondContact O-CD2 3.45Å; L684-F688 PolarHBondContact O-N 3.38Å; L684-F688 VanDerWaalsContact O-N 3.14Å; D686-F688 PolarHBondContact O-N 3.08Å; F688-A691 PolarHBondContact O-N 3.31Å; F688-R692 WeakPolarHBondContact O-CB 3.43Å; F688-R692 PolarHBondContact O-N 3.4Å; F688-Y698 HydrophobicContact CD1-CE1 4.16Å; F688-A701 HydrophobicContact CD2-CB 4.43Å; F688-A701 VanDerWaalsContact CE2-O 3.29Å; F688-A701 WeakPolarHBondContact CE2-O 3.35Å; F688-A701 HydrophobicContact CG-CB 4.44Å; F688-L702 HydrophobicContact CE1-CD2 4.03Å; F688-L702 HydrophobicContact CZ-CD2 4.07Å; F688-T705 HydrophobicContact CE2-CG2 3.68Å; F688-T705 HydrophobicContact CZ-CG2 3.61Å; F688-H723 HydrophobicContact CB-CB 4.1Å; F688-H723 WeakPolarHBondContact CB-ND1 3.48Å; F688-H723 HydrophobicContact CD1-CB 3.84Å; F688-H723 HydrophobicContact CD2-CB 4.11Å; F688-H723 HydrophobicContact CE1-CB 4.31Å; F688-H723 HydrophobicContact CG-CB 3.73Å; F688-H723 AromaticContact CG-CG 3.72Å; F688-L727 HydrophobicContact CE1-CD1 4.18Å
689	S	95.5	Very high	95.7	Very high	13 Å²	13	17.8 Å²	17.8	9%	0.091	10%	0.099	C	C	.	.	H	α-helix	trans	-71.6	-34.9	178.5	-57.5	0	0	0	0	112.7	R653 D685 D686 S693	R653-S689 PolarHBondContact NH2-OG 2.96Å; D685-S689 WeakPolarHBondContact O-CB 3.3Å; D685-S689 PolarHBondContact O-N 3.04Å; D685-S689 PolarHBondContact O-OG 3.12Å; D686-S689 PolarHBondContact O-N 3.05Å; S689-S693 PolarHBondContact O-N 2.99Å; S689-S693 VanDerWaalsContact O-N 3.14Å; S689-S693 PolarHBondContact O-OG 3.42Å
690	L	95.8	Very high	95.8	Very high	5 Å²	5	17.8 Å²	17.8	3%	0.026	10%	0.099	C	C	.	.	H	α-helix	trans	-72.8	-34.1	172.9	-68.8	167.4	0	0	0	111.4	L573 V654 Q655 W661 D686 S693 G694 K695 L696	L573-L690 HydrophobicContact CD1-CD2 3.81Å; L573-L690 HydrophobicContact CD2-CD2 4.21Å; V654-L690 VanDerWaalsContact O-CD1 3.32Å; V654-L690 WeakPolarHBondContact O-CD1 3.42Å; Q655-L690 HydrophobicContact CB-CD1 4.14Å; Q655-L690 HydrophobicContact CB-CD2 4.4Å; W661-L690 HydrophobicContact CH2-CD1 4.47Å; W661-L690 HydrophobicContact CZ2-CD1 3.81Å; D686-L690 HydrophobicContact CB-CD1 4.33Å; D686-L690 WeakPolarHBondContact O-CB 3.44Å; D686-L690 WeakPolarHBondContact O-CD1 3.14Å; D686-L690 WeakPolarHBondContact O-CG 3.2Å; D686-L690 PolarHBondContact O-N 2.83Å; L690-S693 PolarHBondContact O-N 3.33Å; L690-G694 PolarHBondContact O-N 3.13Å; L690-K695 HydrophobicContact CB-CB 4.34Å; L690-K695 HydrophobicContact CD2-CB 3.97Å; L690-K695 HydrophobicContact CD2-CD 4.06Å; L690-K695 HydrophobicContact CD2-CG 4.35Å; L690-K695 WeakPolarHBondContact O-CA 3.1Å; L690-K695 PolarHBondContact O-N 3.41Å; L690-L696 HydrophobicContact CB-CB 3.8Å; L690-L696 PolarHBondContact O-N 3.38Å
691	A	95.6	Very high	95.8	Very high	0 Å²	0	17.1 Å²	17.1	0%	0	10%	0.096	C	C	.	.	H	α-helix	trans	-65	-46.5	171.6	0	0	0	0	0	111.8	A687 F688 S693 G694 L696 Y698 A701	A687-A691 WeakPolarHBondContact O-CB 3.34Å; A687-A691 PolarHBondContact O-N 3.22Å; F688-A691 PolarHBondContact O-N 3.31Å; A691-S693 VanDerWaalsContact C-N 3.27Å; A691-S693 PolarHBondContact O-N 3.36Å; A691-G694 PolarHBondContact O-N 3.36Å; A691-G694 VanDerWaalsContact O-N 3.08Å; A691-L696 WeakPolarHBondContact CA-O 3.4Å; A691-L696 HydrophobicContact CB-CB 4.43Å; A691-Y698 VanDerWaalsContact C-CE2 3.45Å; A691-Y698 HydrophobicContact CB-CD1 3.86Å; A691-Y698 HydrophobicContact CB-CD2 3.79Å; A691-Y698 HydrophobicContact CB-CE1 3.79Å; A691-Y698 HydrophobicContact CB-CE2 3.73Å; A691-Y698 HydrophobicContact CB-CG 3.85Å; A691-Y698 WeakPolarHBondContact O-CE2 3.44Å; A691-A701 HydrophobicContact CB-CB 3.89Å
692	R	92.1	Very high	95.9	Very high	37 Å²	37	17.1 Å²	17.1	14%	0.14	10%	0.096	C	C	.	.	H	α-helix	trans	-59	-35	176.2	-180	168.7	169.6	-176.4	-4.7	113.4	D9 F688 G694 Y698 E928	D9-R692 IonicContact OD1-NH1 3.43Å; D9-R692 IonicContact OD2-CZ 3Å; D9-R692 IonicContact OD2-NH1 3.93Å; D9-R692 PolarHBondContact OD2-NH1 3.03Å; D9-R692 IonicContact OD2-NH2 3.17Å; D9-R692 PolarHBondContact OD2-NH2 3.44Å; F688-R692 WeakPolarHBondContact O-CB 3.43Å; F688-R692 PolarHBondContact O-N 3.4Å; R692-G694 VanDerWaalsContact C-N 3.35Å; R692-Y698 WeakPolarHBondContact CA-OH 3.17Å; R692-Y698 WeakPolarHBondContact CB-OH 3.45Å; R692-Y698 PolarHBondContact N-OH 2.61Å; R692-E928 IonicContact CZ-OE2 2.77Å; R692-E928 IonicContact NE-OE2 3.78Å; R692-E928 IonicContact NH2-OE2 2.69Å; R692-E928 PolarHBondContact NH2-OE2 3.43Å
693	S	88.8	Confident	95.9	Very high	16 Å²	16	18.7 Å²	18.7	11%	0.112	11%	0.105	C	C	.	.	T	Hydrogen-bonded Turn	trans	-94.5	17.1	178.3	61.4	0	0	0	0	114.2	S689 L690 A691 K695	S689-S693 PolarHBondContact O-N 2.99Å; S689-S693 VanDerWaalsContact O-N 3.14Å; S689-S693 PolarHBondContact O-OG 3.42Å; L690-S693 PolarHBondContact O-N 3.33Å; A691-S693 VanDerWaalsContact C-N 3.27Å; A691-S693 PolarHBondContact O-N 3.36Å; S693-K695 VanDerWaalsContact C-N 3.27Å; S693-K695 WeakPolarHBondContact O-CG 3.11Å; S693-K695 PolarHBondContact O-N 3.44Å; S693-K695 PolarHBondContact O-NZ 3.3Å; S693-K695 VanDerWaalsContact O-NZ 3.07Å; S693-K695 WeakPolarHBondContact OG-CE 3.42Å
694	G	90.6	Very high	95.8	Very high	47 Å²	47	18.4 Å²	18.4	49%	0.485	10%	0.103	S	C	.	.	T	Hydrogen-bonded Turn	trans	69.5	14.7	172.5	0	0	0	0	0	116	L690 A691 R692 Y936	L690-G694 PolarHBondContact O-N 3.13Å; A691-G694 PolarHBondContact O-N 3.36Å; A691-G694 VanDerWaalsContact O-N 3.08Å; R692-G694 VanDerWaalsContact C-N 3.35Å; G694-Y936 WeakPolarHBondContact CA-OH 3.47Å
695	K	92.5	Very high	95.7	Very high	70 Å²	70	18.7 Å²	18.7	30%	0.304	11%	0.105	S	C	.	.	S	Bend	trans	-98.1	-20.2	-175.8	-40	-164.6	-154.7	-48.5	0	112.6	L573 T593 Q655 L690 S693	L573-K695 HydrophobicContact CD2-CD 3.72Å; T593-K695 PolarHBondContact O-NZ 3.48Å; Q655-K695 PolarHBondContact NE2-O 3.22Å; L690-K695 HydrophobicContact CB-CB 4.34Å; L690-K695 HydrophobicContact CD2-CB 3.97Å; L690-K695 HydrophobicContact CD2-CD 4.06Å; L690-K695 HydrophobicContact CD2-CG 4.35Å; L690-K695 WeakPolarHBondContact O-CA 3.1Å; L690-K695 PolarHBondContact O-N 3.41Å; S693-K695 VanDerWaalsContact C-N 3.27Å; S693-K695 WeakPolarHBondContact O-CG 3.11Å; S693-K695 PolarHBondContact O-N 3.44Å; S693-K695 PolarHBondContact O-NZ 3.3Å; S693-K695 VanDerWaalsContact O-NZ 3.07Å; S693-K695 WeakPolarHBondContact OG-CE 3.42Å
696	L	95.6	Very high	95.5	Very high	14 Å²	14	22.5 Å²	22.5	7%	0.073	12%	0.122	C	C	.	.	S	Bend	trans	-123.9	157	172	-160.1	64	0	0	0	110.1	W661 A687 L690 A691 L700	W661-L696 HydrophobicContact CD2-CD1 4.32Å; W661-L696 HydrophobicContact CD2-CD2 4.39Å; W661-L696 HydrophobicContact CG-CD1 4.19Å; W661-L696 HydrophobicContact CH2-CD2 4.37Å; W661-L696 HydrophobicContact CZ2-CD1 4.45Å; W661-L696 HydrophobicContact CZ2-CD2 3.99Å; A687-L696 HydrophobicContact CB-CD2 3.88Å; L690-L696 HydrophobicContact CB-CB 3.8Å; L690-L696 PolarHBondContact O-N 3.38Å; A691-L696 WeakPolarHBondContact CA-O 3.4Å; A691-L696 HydrophobicContact CB-CB 4.43Å; L696-L700 HydrophobicContact CD1-CD2 3.63Å; L696-L700 HydrophobicContact CD1-CG 4.45Å; L696-L700 HydrophobicContact CD2-CD2 4.39Å; L696-L700 HydrophobicContact CD2-CG 4.38Å; L696-L700 HydrophobicContact CG-CD2 4.09Å; L696-L700 HydrophobicContact CG-CG 4.41Å
697	N	96	Very high	95.4	Very high	83 Å²	83	22.5 Å²	22.5	44%	0.444	12%	0.121	S	C	.	.			trans	-80	132.3	173.2	-169.5	-33.5	0	0	0	110.3	H699 L700 A701	N697-H699 PolarHBondContact O-N 2.8Å; N697-H699 WeakPolarHBondContact OD1-CB 3.39Å; N697-H699 PolarHBondContact OD1-CD2 2.79Å; N697-H699 PolarHBondContact OD1-N 3.35Å; N697-L700 PolarHBondContact O-N 3.16Å; N697-A701 PolarHBondContact O-N 2.65Å; N697-A701 VanDerWaalsContact O-N 3.14Å
698	Y	96.8	Very high	95.3	Very high	7 Å²	7	22.5 Å²	22.5	3%	0.027	12%	0.121	C	C	.	.	H	α-helix	trans	-57.7	-31	175.1	-102.2	-69.3	0	0	0	113.5	F688 A691 R692 L700 A701 L702 W932 Y936 V940	F688-Y698 HydrophobicContact CD1-CE1 4.16Å; A691-Y698 VanDerWaalsContact C-CE2 3.45Å; A691-Y698 HydrophobicContact CB-CD1 3.86Å; A691-Y698 HydrophobicContact CB-CD2 3.79Å; A691-Y698 HydrophobicContact CB-CE1 3.79Å; A691-Y698 HydrophobicContact CB-CE2 3.73Å; A691-Y698 HydrophobicContact CB-CG 3.85Å; A691-Y698 WeakPolarHBondContact O-CE2 3.44Å; R692-Y698 WeakPolarHBondContact CA-OH 3.17Å; R692-Y698 WeakPolarHBondContact CB-OH 3.45Å; R692-Y698 PolarHBondContact N-OH 2.61Å; Y698-L700 VanDerWaalsContact C-N 3.28Å; Y698-L700 PolarHBondContact O-N 3.34Å; Y698-A701 PolarHBondContact O-N 3.37Å; Y698-L702 VanDerWaalsContact O-CB 3.3Å; Y698-L702 WeakPolarHBondContact O-CB 3.17Å; Y698-L702 WeakPolarHBondContact O-CD1 3.45Å; Y698-L702 WeakPolarHBondContact O-CG 3.29Å; Y698-L702 PolarHBondContact O-N 2.99Å; Y698-W932 AromaticContact CE2-NE1 3.42Å; Y698-W932 AromaticContact CZ-NE1 3.31Å; Y698-W932 VanDerWaalsContact CZ-NE1 3.31Å; Y698-W932 PolarHBondContact OH-NE1 2.79Å; Y698-Y936 HydrophobicContact CD2-CD1 4.16Å; Y698-Y936 HydrophobicContact CD2-CD2 4.42Å; Y698-Y936 AromaticContact CD2-CG 3.85Å; Y698-Y936 HydrophobicContact CD2-CG 3.85Å; Y698-Y936 HydrophobicContact CE2-CD1 4.5Å; Y698-Y936 AromaticContact CE2-CD2 3.97Å; Y698-Y936 HydrophobicContact CE2-CD2 3.97Å; Y698-Y936 AromaticContact CE2-CG 3.84Å; Y698-Y936 HydrophobicContact CE2-CG 3.84Å; Y698-V940 HydrophobicContact CD1-CG2 3.62Å; Y698-V940 HydrophobicContact CD2-CG2 4.21Å; Y698-V940 HydrophobicContact CE1-CG2 4.24Å; Y698-V940 HydrophobicContact CG-CG2 3.61Å
699	H	97.1	Very high	95	Very high	48 Å²	48	24.3 Å²	24.3	22%	0.222	13%	0.134	C	C	.	.	H	α-helix	trans	-57.7	-41	172.9	-79.3	-104.9	0	0	0	112.1	N697 D703 W943	N697-H699 PolarHBondContact O-N 2.8Å; N697-H699 WeakPolarHBondContact OD1-CB 3.39Å; N697-H699 PolarHBondContact OD1-CD2 2.79Å; N697-H699 PolarHBondContact OD1-N 3.35Å; H699-D703 WeakPolarHBondContact O-CB 3.36Å; H699-D703 PolarHBondContact O-N 3.22Å; H699-W943 AromaticContact CG-CD1 3.97Å; H699-W943 AromaticContact ND1-CD1 3.6Å; H699-W943 PolarHBondContact O-NE1 3.32Å
700	L	97.1	Very high	94.8	Very high	4 Å²	4	27.6 Å²	27.6	2%	0.021	15%	0.148	C	C	.	.	H	α-helix	trans	-75.5	-41.9	179.8	170.6	56.2	0	0	0	111.8	W661 L696 N697 Y698 L702 D703 M704	W661-L700 HydrophobicContact CB-CD1 4.42Å; W661-L700 HydrophobicContact CB-CD2 3.76Å; W661-L700 HydrophobicContact CG-CD2 4.09Å; L696-L700 HydrophobicContact CD1-CD2 3.63Å; L696-L700 HydrophobicContact CD1-CG 4.45Å; L696-L700 HydrophobicContact CD2-CD2 4.39Å; L696-L700 HydrophobicContact CD2-CG 4.38Å; L696-L700 HydrophobicContact CG-CD2 4.09Å; L696-L700 HydrophobicContact CG-CG 4.41Å; N697-L700 PolarHBondContact O-N 3.16Å; Y698-L700 VanDerWaalsContact C-N 3.28Å; Y698-L700 PolarHBondContact O-N 3.34Å; L700-L702 VanDerWaalsContact C-N 3.29Å; L700-L702 PolarHBondContact O-N 2.73Å; L700-D703 PolarHBondContact O-N 2.83Å; L700-M704 HydrophobicContact CD1-CG 4.47Å; L700-M704 WeakPolarHBondContact O-CG 3.47Å; L700-M704 PolarHBondContact O-N 3.41Å
701	A	97.5	Very high	94.8	Very high	0 Å²	0	27.5 Å²	27.5	0%	0	15%	0.147	C	C	.	.	H	α-helix	trans	-60.9	-39.3	174.2	0	0	0	0	0	112.1	A687 F688 A691 N697 Y698 M704	A687-A701 HydrophobicContact CB-CB 4.18Å; F688-A701 HydrophobicContact CD2-CB 4.43Å; F688-A701 VanDerWaalsContact CE2-O 3.29Å; F688-A701 WeakPolarHBondContact CE2-O 3.35Å; F688-A701 HydrophobicContact CG-CB 4.44Å; A691-A701 HydrophobicContact CB-CB 3.89Å; N697-A701 PolarHBondContact O-N 2.65Å; N697-A701 VanDerWaalsContact O-N 3.14Å; Y698-A701 PolarHBondContact O-N 3.37Å; A701-M704 PolarHBondContact O-N 2.95Å
702	L	97.6	Very high	94.5	Very high	0 Å²	0	32.1 Å²	32.1	0%	0	17%	0.17	C	C	.	.	H	α-helix	trans	-71.9	-38.3	173.5	-68.2	165.9	0	0	0	112.1	F688 Y698 L700 M704 T705 L727 F743 V940 W943	F688-L702 HydrophobicContact CE1-CD2 4.03Å; F688-L702 HydrophobicContact CZ-CD2 4.07Å; Y698-L702 VanDerWaalsContact O-CB 3.3Å; Y698-L702 WeakPolarHBondContact O-CB 3.17Å; Y698-L702 WeakPolarHBondContact O-CD1 3.45Å; Y698-L702 WeakPolarHBondContact O-CG 3.29Å; Y698-L702 PolarHBondContact O-N 2.99Å; L700-L702 VanDerWaalsContact C-N 3.29Å; L700-L702 PolarHBondContact O-N 2.73Å; L702-M704 PolarHBondContact O-N 3.49Å; L702-T705 WeakPolarHBondContact O-CB 3.31Å; L702-T705 PolarHBondContact O-N 2.54Å; L702-T705 PolarHBondContact O-OG1 3.03Å; L702-L727 HydrophobicContact CD2-CD1 3.94Å; L702-F743 HydrophobicContact CD2-CE1 4.05Å; L702-F743 HydrophobicContact CD2-CZ 3.94Å; L702-V940 HydrophobicContact CD1-CB 4.37Å; L702-V940 HydrophobicContact CD1-CG1 4.18Å; L702-V940 HydrophobicContact CD1-CG2 4.24Å; L702-W943 VanDerWaalsContact C-CZ2 3.42Å; L702-W943 HydrophobicContact CB-CD2 3.46Å; L702-W943 VanDerWaalsContact CB-CD2 3.46Å; L702-W943 VanDerWaalsContact CB-CE2 3.41Å; L702-W943 HydrophobicContact CB-CE3 3.77Å; L702-W943 HydrophobicContact CB-CG 3.93Å; L702-W943 HydrophobicContact CB-CH2 4.03Å; L702-W943 HydrophobicContact CB-CZ2 3.71Å; L702-W943 HydrophobicContact CB-CZ3 4.06Å; L702-W943 HydrophobicContact CD1-CB 3.74Å; L702-W943 HydrophobicContact CD1-CD2 3.78Å; L702-W943 HydrophobicContact CD1-CE3 3.86Å; L702-W943 HydrophobicContact CD1-CG 3.72Å; L702-W943 HydrophobicContact CD2-CE3 4.35Å; L702-W943 HydrophobicContact CD2-CZ3 4.47Å; L702-W943 HydrophobicContact CG-CD2 4.19Å; L702-W943 HydrophobicContact CG-CE3 4.22Å; L702-W943 HydrophobicContact CG-CG 4.48Å; L702-W943 VanDerWaalsContact O-CZ2 3.3Å; L702-W943 WeakPolarHBondContact O-CZ2 3.33Å
703	D	97.1	Very high	94.3	Very high	34 Å²	34	32.5 Å²	32.5	18%	0.182	18%	0.175	C	C	.	.	H	α-helix	trans	-59.3	-35	173.6	-78	-23.3	0	0	0	112.2	N665 H699 L700 T705 K706 W943	N665-D703 PolarHBondContact OD1-O 2.85Å; H699-D703 WeakPolarHBondContact O-CB 3.36Å; H699-D703 PolarHBondContact O-N 3.22Å; L700-D703 PolarHBondContact O-N 2.83Å; D703-T705 PolarHBondContact O-N 3.09Å; D703-T705 VanDerWaalsContact O-N 3.12Å; D703-K706 HydrophobicContact CB-CD 4.41Å; D703-K706 VanDerWaalsContact O-CB 3.24Å; D703-K706 WeakPolarHBondContact O-CB 3.19Å; D703-K706 WeakPolarHBondContact O-CG 3.09Å; D703-K706 PolarHBondContact O-N 2.86Å; D703-K706 VanDerWaalsContact OD1-CE 3.29Å; D703-K706 WeakPolarHBondContact OD1-CE 3.44Å; D703-K706 IonicContact OD1-NZ 3.25Å; D703-K706 PolarHBondContact OD1-NZ 3.02Å; D703-W943 PolarHBondContact OD1-NE1 2.89Å
704	M	95.9	Very high	94.2	Very high	0 Å²	0	36.4 Å²	36.4	0%	0	19%	0.194	C	C	.	.	T	Hydrogen-bonded Turn	trans	-65.4	-8.3	173	-71.6	-176.7	65.7	0	0	114.3	W661 N665 L668 L683 A687 L700 A701 L702 Y707	W661-M704 HydrophobicContact CE3-CE 4.22Å; W661-M704 HydrophobicContact CE3-SD 3.65Å; W661-M704 HydrophobicContact CZ3-CE 3.89Å; W661-M704 HydrophobicContact CZ3-SD 3.68Å; N665-M704 HydrophobicContact CB-CG 4.09Å; L668-M704 HydrophobicContact CD1-CE 3.86Å; L683-M704 HydrophobicContact CB-CE 3.92Å; L683-M704 HydrophobicContact CD2-CE 4.41Å; A687-M704 HydrophobicContact CB-CE 4.35Å; A687-M704 HydrophobicContact CB-SD 3.76Å; L700-M704 HydrophobicContact CD1-CG 4.47Å; L700-M704 WeakPolarHBondContact O-CG 3.47Å; L700-M704 PolarHBondContact O-N 3.41Å; A701-M704 PolarHBondContact O-N 2.95Å; L702-M704 PolarHBondContact O-N 3.49Å; M704-Y707 WeakPolarHBondContact O-CD1 3.45Å; M704-Y707 VanDerWaalsContact O-CE1 3.22Å; M704-Y707 WeakPolarHBondContact O-CE1 3.2Å
705	T	95.7	Very high	94.2	Very high	8 Å²	8	34.3 Å²	34.3	5%	0.049	17%	0.171	C	C	.	.	T	Hydrogen-bonded Turn	trans	-85.2	-11.7	169.6	71	0	0	0	0	113.5	F688 L702 D703 Y707 L708 F743	F688-T705 HydrophobicContact CE2-CG2 3.68Å; F688-T705 HydrophobicContact CZ-CG2 3.61Å; L702-T705 WeakPolarHBondContact O-CB 3.31Å; L702-T705 PolarHBondContact O-N 2.54Å; L702-T705 PolarHBondContact O-OG1 3.03Å; D703-T705 PolarHBondContact O-N 3.09Å; D703-T705 VanDerWaalsContact O-N 3.12Å; T705-Y707 PolarHBondContact O-N 3.38Å; T705-Y707 VanDerWaalsContact O-N 3.12Å; T705-L708 HydrophobicContact CG2-CD1 4.29Å; T705-L708 VanDerWaalsContact O-CB 3.3Å; T705-L708 WeakPolarHBondContact O-CB 3.33Å; T705-L708 VanDerWaalsContact O-CG 3.29Å; T705-L708 WeakPolarHBondContact O-CG 3.32Å; T705-L708 PolarHBondContact O-N 2.88Å; T705-F743 HydrophobicContact CG2-CZ 4.23Å
706	K	94.7	Very high	94.3	Very high	80 Å²	80	31 Å²	31	35%	0.348	16%	0.157	S	C	.	.	T	Hydrogen-bonded Turn	trans	-64.1	-19.1	-174.3	-73.8	173.2	162.9	164.1	0	114.7	Q669 D703 W943 N947	Q669-K706 HydrophobicContact CG-CB 4.3Å; D703-K706 HydrophobicContact CB-CD 4.41Å; D703-K706 VanDerWaalsContact O-CB 3.24Å; D703-K706 WeakPolarHBondContact O-CB 3.19Å; D703-K706 WeakPolarHBondContact O-CG 3.09Å; D703-K706 PolarHBondContact O-N 2.86Å; D703-K706 VanDerWaalsContact OD1-CE 3.29Å; D703-K706 WeakPolarHBondContact OD1-CE 3.44Å; D703-K706 IonicContact OD1-NZ 3.25Å; D703-K706 PolarHBondContact OD1-NZ 3.02Å; K706-W943 HydrophobicContact CD-CZ2 4.43Å; K706-W943 HydrophobicContact CG-CZ2 4.29Å; K706-N947 VanDerWaalsContact CE-OD1 3.29Å; K706-N947 WeakPolarHBondContact CE-OD1 3.44Å; K706-N947 PolarHBondContact NZ-OD1 2.84Å
707	Y	95.9	Very high	94.2	Very high	0 Å²	0	31.2 Å²	31.2	0%	0	16%	0.157	C	C	.	.	T	Hydrogen-bonded Turn	trans	-83.9	-14.3	174.6	85.4	-84.1	0	0	0	113.9	L668 H672 L684 M704 T705 P709 Q710 E711	L668-Y707 HydrophobicContact CB-CD1 3.75Å; L668-Y707 HydrophobicContact CB-CE1 4.26Å; L668-Y707 HydrophobicContact CB-CG 3.92Å; L668-Y707 HydrophobicContact CD1-CD1 4.15Å; L668-Y707 HydrophobicContact CD1-CE1 3.94Å; L668-Y707 HydrophobicContact CD2-CD1 4.4Å; L668-Y707 HydrophobicContact CD2-CE1 4.12Å; L668-Y707 HydrophobicContact CD2-CE2 4.34Å; L668-Y707 HydrophobicContact CG-CD1 4.32Å; L668-Y707 HydrophobicContact CG-CE1 4.34Å; L668-Y707 VanDerWaalsContact O-CB 3.3Å; L668-Y707 WeakPolarHBondContact O-CB 3.26Å; H672-Y707 HydrophobicContact CB-CD2 3.58Å; H672-Y707 HydrophobicContact CB-CE2 3.86Å; H672-Y707 HydrophobicContact CB-CG 4.39Å; H672-Y707 AromaticContact CG-CD2 3.67Å; H672-Y707 AromaticContact CG-CE2 3.97Å; H672-Y707 AromaticContact ND1-CE2 3.96Å; L684-Y707 WeakPolarHBondContact CD1-OH 3.3Å; L684-Y707 HydrophobicContact CD2-CE1 4.3Å; M704-Y707 WeakPolarHBondContact O-CD1 3.45Å; M704-Y707 VanDerWaalsContact O-CE1 3.22Å; M704-Y707 WeakPolarHBondContact O-CE1 3.2Å; T705-Y707 PolarHBondContact O-N 3.38Å; T705-Y707 VanDerWaalsContact O-N 3.12Å; Y707-P709 VanDerWaalsContact C-CD 3.41Å; Y707-P709 VanDerWaalsContact C-N 3.32Å; Y707-P709 VanDerWaalsContact O-N 3.16Å; Y707-Q710 WeakPolarHBondContact O-CA 3.35Å; Y707-Q710 VanDerWaalsContact O-CB 3.29Å; Y707-Q710 WeakPolarHBondContact O-CB 3.12Å; Y707-Q710 PolarHBondContact O-N 2.97Å; Y707-E711 HydrophobicContact CD2-CB 4.28Å; Y707-E711 HydrophobicContact CE2-CB 3.97Å; Y707-E711 HydrophobicContact CE2-CG 4.24Å; Y707-E711 PolarHBondContact O-N 2.69Å
708	L	95.2	Very high	94	Very high	0 Å²	0	29.7 Å²	29.7	0%	0	15%	0.145	C	C	.	.	T	Hydrogen-bonded Turn	trans	-54.7	-34.6	-174.1	-69.5	176.7	0	0	0	114.7	L684 T705 Q710 E711 W717 A720	L684-L708 HydrophobicContact CD1-CD2 4.32Å; T705-L708 HydrophobicContact CG2-CD1 4.29Å; T705-L708 VanDerWaalsContact O-CB 3.3Å; T705-L708 WeakPolarHBondContact O-CB 3.33Å; T705-L708 VanDerWaalsContact O-CG 3.29Å; T705-L708 WeakPolarHBondContact O-CG 3.32Å; T705-L708 PolarHBondContact O-N 2.88Å; L708-Q710 PolarHBondContact O-N 2.94Å; L708-E711 HydrophobicContact CD2-CB 4.38Å; L708-E711 WeakPolarHBondContact O-CB 3.2Å; L708-E711 PolarHBondContact O-N 3Å; L708-W717 HydrophobicContact CB-CH2 3.75Å; L708-W717 HydrophobicContact CB-CZ2 3.82Å; L708-W717 HydrophobicContact CB-CZ3 4.43Å; L708-W717 HydrophobicContact CD1-CH2 4.28Å; L708-W717 HydrophobicContact CD1-CZ3 4.17Å; L708-W717 HydrophobicContact CG-CH2 4.46Å; L708-W717 VanDerWaalsContact O-CZ2 3.26Å; L708-W717 WeakPolarHBondContact O-CZ2 3.22Å; L708-A720 HydrophobicContact CD1-CB 3.59Å; L708-A720 HydrophobicContact CD2-CB 4.01Å; L708-A720 HydrophobicContact CG-CB 4.48Å
709	P	91.4	Very high	94	Very high	44 Å²	44	29.3 Å²	29.3	29%	0.286	14%	0.143	S	C	.	.	T	Hydrogen-bonded Turn	trans	-60.3	-14.9	173	-27.4	37.7	0	0	0	115.3	Y707 A750 R754	Y707-P709 VanDerWaalsContact C-CD 3.41Å; Y707-P709 VanDerWaalsContact C-N 3.32Å; Y707-P709 VanDerWaalsContact O-N 3.16Å; P709-A750 HydrophobicContact CB-CB 3.78Å; P709-A750 WeakPolarHBondContact O-CB 3.29Å; P709-R754 PolarHBondContact O-NH2 3.36Å
710	Q	92.9	Very high	93.9	Very high	82 Å²	82	27.2 Å²	27.2	38%	0.383	13%	0.134	S	C	.	.	T	Hydrogen-bonded Turn	trans	-88.8	-36	171.2	-52.2	-175.9	44.8	0	0	111.6	Q669 Y707 L708 R754	Q669-Q710 PolarHBondContact O-NE2 3.48Å; Y707-Q710 WeakPolarHBondContact O-CA 3.35Å; Y707-Q710 VanDerWaalsContact O-CB 3.29Å; Y707-Q710 WeakPolarHBondContact O-CB 3.12Å; Y707-Q710 PolarHBondContact O-N 2.97Å; L708-Q710 PolarHBondContact O-N 2.94Å; Q710-R754 PolarHBondContact O-NH1 3.27Å
711	E	94	Very high	93.8	Very high	4 Å²	4	27.6 Å²	27.6	2%	0.019	14%	0.138	C	C	.	.			trans	-63.5	137.7	-173.7	-175.6	59.5	-86.8	0	0	113.8	H672 R680 Y707 L708 D713 A716 W717	H672-E711 IonicContact CE1-OE1 3.54Å; H672-E711 IonicContact CE1-OE2 3.57Å; H672-E711 IonicContact ND1-OE1 2.88Å; H672-E711 IonicContact ND1-OE2 3.71Å; H672-E711 PolarHBondContact ND1-OE2 3.15Å; R680-E711 IonicContact CZ-OE1 3.61Å; R680-E711 IonicContact CZ-OE2 3.84Å; R680-E711 IonicContact NE-OE2 3.74Å; R680-E711 PolarHBondContact NE-OE2 3.44Å; R680-E711 IonicContact NH2-OE1 3.2Å; R680-E711 PolarHBondContact NH2-OE1 2.98Å; R680-E711 IonicContact NH2-OE2 4Å; R680-E711 PolarHBondContact NH2-OE2 2.89Å; Y707-E711 HydrophobicContact CD2-CB 4.28Å; Y707-E711 HydrophobicContact CE2-CB 3.97Å; Y707-E711 HydrophobicContact CE2-CG 4.24Å; Y707-E711 PolarHBondContact O-N 2.69Å; L708-E711 HydrophobicContact CD2-CB 4.38Å; L708-E711 WeakPolarHBondContact O-CB 3.2Å; L708-E711 PolarHBondContact O-N 3Å; E711-D713 PolarHBondContact OE1-N 3.15Å; E711-A716 HydrophobicContact CG-CB 3.87Å; E711-W717 PolarHBondContact O-NE1 3.47Å
712	M	89.4	Confident	93.7	Very high	96 Å²	96	29 Å²	29	47%	0.473	14%	0.143	S	C	.	.			trans	-126.9	-11.5	-180	-69.1	-58.7	-58.9	0	0	113.5	V751 R754	M712-V751 HydrophobicContact SD-CG2 4.34Å; M712-R754 HydrophobicContact CE-CB 4.37Å; M712-R754 HydrophobicContact SD-CB 4.45Å; M712-R754 WeakPolarHBondContact SD-CD 3.35Å; M712-R754 PolarHBondContact SD-NH1 2.89Å
713	D	89.2	Confident	93.6	Very high	46 Å²	46	29.8 Å²	29.8	25%	0.246	15%	0.147	C	C	.	.			trans	-81.7	128.7	-179.9	-164.5	-67.2	0	0	0	111.9	V677 E711 T715 A716 W717	V677-D713 HydrophobicContact CG2-CB 3.73Å; E711-D713 PolarHBondContact OE1-N 3.15Å; D713-T715 PolarHBondContact O-N 3.31Å; D713-T715 WeakPolarHBondContact OD1-CB 3.19Å; D713-T715 PolarHBondContact OD1-N 2.8Å; D713-T715 PolarHBondContact OD1-OG1 2.77Å; D713-A716 PolarHBondContact O-N 2.83Å; D713-W717 PolarHBondContact O-N 2.87Å
714	I	85.6	Confident	93.5	Very high	98 Å²	98	28.6 Å²	28.6	50%	0.503	14%	0.14	S	C	.	.	H	α-helix	trans	-61	-25.1	-178.4	-170.3	55.3	0	0	0	112.9	W717 R718	I714-W717 HydrophobicContact CD1-CB 4.48Å; I714-W717 PolarHBondContact O-N 2.95Å; I714-R718 HydrophobicContact CD1-CG 4.35Å; I714-R718 HydrophobicContact CG1-CG 4.24Å; I714-R718 WeakPolarHBondContact O-CB 3.09Å; I714-R718 WeakPolarHBondContact O-CG 3.46Å; I714-R718 PolarHBondContact O-N 2.64Å
715	T	90.8	Very high	93.3	Very high	3 Å²	3	30.7 Å²	30.7	2%	0.018	15%	0.15	C	C	.	.	H	α-helix	trans	-65.2	-49.9	-179.6	-48.9	0	0	0	0	111.5	T456 A681 D713 W717	T456-T715 HydrophobicContact CG2-CG2 4.26Å; A681-T715 HydrophobicContact CB-CG2 3.83Å; D713-T715 PolarHBondContact O-N 3.31Å; D713-T715 WeakPolarHBondContact OD1-CB 3.19Å; D713-T715 PolarHBondContact OD1-N 2.8Å; D713-T715 PolarHBondContact OD1-OG1 2.77Å; T715-W717 VanDerWaalsContact C-N 3.33Å
716	A	94.8	Very high	93.2	Very high	0 Å²	0	31.7 Å²	31.7	0%	0	15%	0.153	C	C	.	.	H	α-helix	trans	-67.6	-37.2	176.3	0	0	0	0	0	111	V677 L684 E711 D713 V719 A720	V677-A716 HydrophobicContact CG2-CB 4.16Å; L684-A716 HydrophobicContact CD1-CB 4.43Å; E711-A716 HydrophobicContact CG-CB 3.87Å; D713-A716 PolarHBondContact O-N 2.83Å; A716-V719 PolarHBondContact O-N 2.83Å; A716-A720 PolarHBondContact O-N 3.46Å
717	W	93.3	Very high	93.3	Very high	19 Å²	19	28 Å²	28	7%	0.072	14%	0.137	C	C	.	.	H	α-helix	trans	-67.6	-35.7	177.1	-86.5	111.7	0	0	0	114.5	L708 E711 D713 I714 T715 V719 A720 A721 A747 Y748 V751	L708-W717 HydrophobicContact CB-CH2 3.75Å; L708-W717 HydrophobicContact CB-CZ2 3.82Å; L708-W717 HydrophobicContact CB-CZ3 4.43Å; L708-W717 HydrophobicContact CD1-CH2 4.28Å; L708-W717 HydrophobicContact CD1-CZ3 4.17Å; L708-W717 HydrophobicContact CG-CH2 4.46Å; L708-W717 VanDerWaalsContact O-CZ2 3.26Å; L708-W717 WeakPolarHBondContact O-CZ2 3.22Å; E711-W717 PolarHBondContact O-NE1 3.47Å; D713-W717 PolarHBondContact O-N 2.87Å; I714-W717 HydrophobicContact CD1-CB 4.48Å; I714-W717 PolarHBondContact O-N 2.95Å; T715-W717 VanDerWaalsContact C-N 3.33Å; W717-V719 VanDerWaalsContact C-N 3.32Å; W717-V719 PolarHBondContact O-N 3.04Å; W717-A720 HydrophobicContact CE3-CB 4.18Å; W717-A720 PolarHBondContact O-N 3.13Å; W717-A721 WeakPolarHBondContact O-CB 3.33Å; W717-A721 PolarHBondContact O-N 3.13Å; W717-A747 HydrophobicContact CH2-CB 4.38Å; W717-A747 WeakPolarHBondContact CH2-O 3.41Å; W717-Y748 HydrophobicContact CE3-CD1 4.04Å; W717-Y748 AromaticContact CE3-CE1 3.68Å; W717-Y748 HydrophobicContact CE3-CE1 3.68Å; W717-Y748 HydrophobicContact CH2-CD1 4.03Å; W717-Y748 HydrophobicContact CH2-CE1 4.39Å; W717-Y748 AromaticContact CZ3-CD1 3.5Å; W717-Y748 HydrophobicContact CZ3-CD1 3.5Å; W717-Y748 VanDerWaalsContact CZ3-CD1 3.5Å; W717-Y748 AromaticContact CZ3-CE1 3.43Å; W717-Y748 HydrophobicContact CZ3-CE1 3.43Å; W717-Y748 VanDerWaalsContact CZ3-CE1 3.43Å; W717-Y748 HydrophobicContact CZ3-CG 4.5Å; W717-V751 HydrophobicContact CZ2-CB 4.44Å; W717-V751 HydrophobicContact CZ2-CG2 3.51Å
718	R	91.6	Very high	93.2	Very high	50 Å²	50	29.7 Å²	29.7	19%	0.189	15%	0.146	C	C	.	.	H	α-helix	trans	-59.5	-42.4	172.5	-81.1	-174.3	-176.5	-153.6	12.2	110.9	E381 E453 T456 E457 I714 R722	E381-R718 IonicContact OE1-NH2 2.63Å; E381-R718 PolarHBondContact OE1-NH2 3.08Å; E453-R718 IonicContact OE1-CZ 3.67Å; E453-R718 IonicContact OE1-NH1 2.7Å; E453-R718 PolarHBondContact OE1-NH1 3.2Å; E453-R718 IonicContact OE1-NH2 3.52Å; E453-R718 PolarHBondContact OE1-NH2 3.09Å; T456-R718 HydrophobicContact CG2-CB 4.05Å; E457-R718 VanDerWaalsContact CD-NH1 3.3Å; E457-R718 VanDerWaalsContact CG-NH1 3.26Å; E457-R718 WeakPolarHBondContact OE1-CD 3.15Å; E457-R718 IonicContact OE1-CZ 3.79Å; E457-R718 IonicContact OE1-NE 3.23Å; E457-R718 IonicContact OE1-NH1 3.54Å; E457-R718 PolarHBondContact OE1-NH1 3.03Å; I714-R718 HydrophobicContact CD1-CG 4.35Å; I714-R718 HydrophobicContact CG1-CG 4.24Å; I714-R718 WeakPolarHBondContact O-CB 3.09Å; I714-R718 WeakPolarHBondContact O-CG 3.46Å; I714-R718 PolarHBondContact O-N 2.64Å; R718-R722 PolarHBondContact O-N 2.97Å; R718-R722 VanDerWaalsContact O-N 3.07Å
719	V	96.5	Very high	93.1	Very high	0 Å²	0	30.5 Å²	30.5	0%	0	15%	0.151	C	C	.	.	H	α-helix	trans	-68.1	-47.9	176.7	-177.6	0	0	0	0	111.8	T456 A681 L684 D685 A716 W717 A721 R722 H723	T456-V719 HydrophobicContact CG2-CG2 3.57Å; A681-V719 HydrophobicContact CB-CG2 3.9Å; L684-V719 HydrophobicContact CB-CB 4.45Å; L684-V719 HydrophobicContact CB-CG1 3.72Å; D685-V719 HydrophobicContact CB-CG1 3.82Å; A716-V719 PolarHBondContact O-N 2.83Å; W717-V719 VanDerWaalsContact C-N 3.32Å; W717-V719 PolarHBondContact O-N 3.04Å; V719-A721 VanDerWaalsContact C-N 3.29Å; V719-A721 PolarHBondContact O-N 3.41Å; V719-R722 PolarHBondContact O-N 2.78Å; V719-H723 PolarHBondContact O-CD2 3.31Å; V719-H723 PolarHBondContact O-N 3.28Å; V719-H723 VanDerWaalsContact O-N 3.17Å
720	A	96.3	Very high	93.2	Very high	4 Å²	4	28.5 Å²	28.5	3%	0.033	14%	0.138	C	C	.	.	H	α-helix	trans	-58.1	-43.6	176.5	0	0	0	0	0	111.5	L684 L708 A716 W717 H723 I724	L684-A720 HydrophobicContact CD1-CB 4.43Å; L708-A720 HydrophobicContact CD1-CB 3.59Å; L708-A720 HydrophobicContact CD2-CB 4.01Å; L708-A720 HydrophobicContact CG-CB 4.48Å; A716-A720 PolarHBondContact O-N 3.46Å; W717-A720 HydrophobicContact CE3-CB 4.18Å; W717-A720 PolarHBondContact O-N 3.13Å; A720-H723 PolarHBondContact O-N 3.18Å; A720-I724 WeakPolarHBondContact O-CB 3.4Å; A720-I724 WeakPolarHBondContact O-CD1 3.41Å; A720-I724 WeakPolarHBondContact O-CG1 3.19Å; A720-I724 PolarHBondContact O-N 3.06Å
721	A	94.4	Very high	93.3	Very high	12 Å²	12	24.6 Å²	24.6	10%	0.099	12%	0.119	C	C	.	.	H	α-helix	trans	-61.9	-44.3	177.5	0	0	0	0	0	112.6	W717 V719 H723 I724 E725 Y748	W717-A721 WeakPolarHBondContact O-CB 3.33Å; W717-A721 PolarHBondContact O-N 3.13Å; V719-A721 VanDerWaalsContact C-N 3.29Å; V719-A721 PolarHBondContact O-N 3.41Å; A721-H723 PolarHBondContact O-N 3.13Å; A721-I724 PolarHBondContact O-N 2.89Å; A721-E725 WeakPolarHBondContact O-CB 3.28Å; A721-E725 PolarHBondContact O-N 2.81Å; A721-Y748 WeakPolarHBondContact CA-OH 3.49Å; A721-Y748 WeakPolarHBondContact CB-OH 3.29Å
722	R	94.8	Very high	93.1	Very high	29 Å²	29	24.5 Å²	24.5	11%	0.109	12%	0.119	C	C	.	.	H	α-helix	trans	-58.7	-45.3	177	-174.9	169.3	72.2	-114.6	-2.5	112	T456 E464 D685 R718 V719 E725 Y726	T456-R722 PolarHBondContact O-NH1 2.94Å; E464-R722 IonicContact OE1-CZ 3.95Å; E464-R722 IonicContact OE1-NE 3.07Å; E464-R722 PolarHBondContact OE1-NE 3.29Å; E464-R722 IonicContact OE1-NH2 2.63Å; E464-R722 PolarHBondContact OE1-NH2 3.14Å; E464-R722 IonicContact OE2-CZ 2.87Å; E464-R722 IonicContact OE2-NE 2.69Å; E464-R722 PolarHBondContact OE2-NE 2.92Å; D685-R722 IonicContact OD1-CZ 2.75Å; D685-R722 IonicContact OD1-NH2 2.63Å; D685-R722 PolarHBondContact OD1-NH2 3.03Å; R718-R722 PolarHBondContact O-N 2.97Å; R718-R722 VanDerWaalsContact O-N 3.07Å; V719-R722 PolarHBondContact O-N 2.78Å; R722-E725 PolarHBondContact O-N 3.38Å; R722-Y726 PolarHBondContact O-N 2.78Å
723	H	95.9	Very high	93	Very high	16 Å²	16	24.7 Å²	24.7	7%	0.074	13%	0.13	C	C	.	.	H	α-helix	trans	-75.9	-31.9	179.9	-71.4	-63.2	0	0	0	113.1	D685 F688 V719 A720 A721 Y726 L727	D685-H723 IonicContact OD1-CE1 2.68Å; D685-H723 IonicContact OD1-NE2 3.26Å; D685-H723 PolarHBondContact OD1-NE2 3.35Å; F688-H723 HydrophobicContact CB-CB 4.1Å; F688-H723 WeakPolarHBondContact CB-ND1 3.48Å; F688-H723 HydrophobicContact CD1-CB 3.84Å; F688-H723 HydrophobicContact CD2-CB 4.11Å; F688-H723 HydrophobicContact CE1-CB 4.31Å; F688-H723 HydrophobicContact CG-CB 3.73Å; F688-H723 AromaticContact CG-CG 3.72Å; V719-H723 PolarHBondContact O-CD2 3.31Å; V719-H723 PolarHBondContact O-N 3.28Å; V719-H723 VanDerWaalsContact O-N 3.17Å; A720-H723 PolarHBondContact O-N 3.18Å; A721-H723 PolarHBondContact O-N 3.13Å; H723-Y726 PolarHBondContact O-N 3.21Å; H723-L727 WeakPolarHBondContact O-CG 3.47Å; H723-L727 PolarHBondContact O-N 3.2Å; H723-L727 VanDerWaalsContact O-N 3.1Å
724	I	94.9	Very high	93.1	Very high	9 Å²	9	24.5 Å²	24.5	5%	0.046	13%	0.13	C	C	.	.	H	α-helix	trans	-65.5	-40.7	169.3	-69.8	164.7	0	0	0	111	A720 A721 L727 D728 F743 A744 A747	A720-I724 WeakPolarHBondContact O-CB 3.4Å; A720-I724 WeakPolarHBondContact O-CD1 3.41Å; A720-I724 WeakPolarHBondContact O-CG1 3.19Å; A720-I724 PolarHBondContact O-N 3.06Å; A721-I724 PolarHBondContact O-N 2.89Å; I724-L727 PolarHBondContact O-N 2.74Å; I724-D728 PolarHBondContact O-N 2.91Å; I724-F743 HydrophobicContact CG1-CE1 3.97Å; I724-A744 HydrophobicContact CG2-CB 3.86Å; I724-A747 HydrophobicContact CD1-CB 4.31Å
725	E	92.1	Very high	93.4	Very high	44 Å²	44	29.6 Å²	29.6	21%	0.206	14%	0.143	C	C	.	.	H	α-helix	trans	-65.8	-39.7	176.5	-172	178.3	150.9	0	0	111.6	A721 R722 L727 D728 L729 K891	A721-E725 WeakPolarHBondContact O-CB 3.28Å; A721-E725 PolarHBondContact O-N 2.81Å; R722-E725 PolarHBondContact O-N 3.38Å; E725-L727 VanDerWaalsContact C-N 3.31Å; E725-L727 PolarHBondContact O-N 2.88Å; E725-D728 PolarHBondContact O-N 2.99Å; E725-L729 WeakPolarHBondContact O-CG 3.22Å; E725-L729 PolarHBondContact O-N 2.78Å; E725-K891 WeakPolarHBondContact OE1-CE 3.36Å; E725-K891 IonicContact OE1-NZ 2.91Å; E725-K891 PolarHBondContact OE1-NZ 3.02Å
726	Y	94.4	Very high	93.6	Very high	30 Å²	30	31.7 Å²	31.7	12%	0.118	15%	0.151	C	C	.	.	H	α-helix	trans	-57.4	-45.1	170.1	-177.9	-103	0	0	0	111.2	R722 H723 D728 L729 M730 N929 W932	R722-Y726 PolarHBondContact O-N 2.78Å; H723-Y726 PolarHBondContact O-N 3.21Å; Y726-D728 PolarHBondContact O-N 3.25Å; Y726-L729 PolarHBondContact O-N 2.61Å; Y726-M730 HydrophobicContact CD1-CG 4.09Å; Y726-M730 HydrophobicContact CD2-CG 4.46Å; Y726-M730 HydrophobicContact CE1-CG 3.63Å; Y726-M730 HydrophobicContact CE2-CG 4.04Å; Y726-M730 HydrophobicContact CE2-SD 4.13Å; Y726-M730 HydrophobicContact CG-CG 4.48Å; Y726-M730 VanDerWaalsContact O-CG 3.29Å; Y726-M730 WeakPolarHBondContact O-CG 3.28Å; Y726-M730 PolarHBondContact O-N 2.81Å; Y726-N929 WeakPolarHBondContact CE2-OD1 3.45Å; Y726-N929 PolarHBondContact OH-OD1 3.07Å; Y726-W932 HydrophobicContact CE1-CG 4.5Å; Y726-W932 AromaticContact CE1-NE1 3.89Å
727	L	95.6	Very high	93.4	Very high	1 Å²	1	34.4 Å²	34.4	1%	0.005	16%	0.164	C	C	.	.	H	α-helix	trans	-64.8	-34	176	-66.6	-177.5	0	0	0	113.3	F688 L702 H723 I724 E725 M730 L731 I740 F743 W932 V940	F688-L727 HydrophobicContact CE1-CD1 4.18Å; L702-L727 HydrophobicContact CD2-CD1 3.94Å; H723-L727 WeakPolarHBondContact O-CG 3.47Å; H723-L727 PolarHBondContact O-N 3.2Å; H723-L727 VanDerWaalsContact O-N 3.1Å; I724-L727 PolarHBondContact O-N 2.74Å; E725-L727 VanDerWaalsContact C-N 3.31Å; E725-L727 PolarHBondContact O-N 2.88Å; L727-M730 PolarHBondContact O-N 2.75Å; L727-L731 WeakPolarHBondContact O-CB 3.49Å; L727-L731 WeakPolarHBondContact O-CD1 3.4Å; L727-L731 PolarHBondContact O-N 3.45Å; L727-I740 HydrophobicContact CB-CD1 3.6Å; L727-I740 HydrophobicContact CB-CG1 4.3Å; L727-F743 HydrophobicContact CD1-CE1 4.31Å; L727-W932 HydrophobicContact CD2-CH2 3.84Å; L727-W932 HydrophobicContact CD2-CZ2 3.44Å; L727-W932 VanDerWaalsContact CD2-CZ2 3.44Å; L727-V940 HydrophobicContact CD1-CG1 4.33Å; L727-V940 HydrophobicContact CD2-CG1 4.2Å
728	D	93.3	Very high	93.3	Very high	36 Å²	36	37.1 Å²	37.1	19%	0.193	19%	0.186	C	C	.	.	H	α-helix	trans	-63.7	-46.4	170.1	179.3	65.4	0	0	0	111.5	I724 E725 Y726 M730 L731 S732 I740 R858	I724-D728 PolarHBondContact O-N 2.91Å; E725-D728 PolarHBondContact O-N 2.99Å; Y726-D728 PolarHBondContact O-N 3.25Å; D728-M730 PolarHBondContact O-N 3.13Å; D728-L731 PolarHBondContact O-N 3.15Å; D728-S732 WeakPolarHBondContact O-CB 3.24Å; D728-S732 PolarHBondContact O-N 3.24Å; D728-S732 PolarHBondContact O-OG 3.48Å; D728-I740 HydrophobicContact CB-CG1 4.3Å; D728-R858 IonicContact OD2-CZ 2.71Å; D728-R858 IonicContact OD2-NH1 2.8Å; D728-R858 IonicContact OD2-NH2 3.49Å; D728-R858 PolarHBondContact OD2-NH2 2.8Å
729	L	93.5	Very high	93.3	Very high	18 Å²	18	35.3 Å²	35.3	9%	0.094	18%	0.18	C	C	.	.	H	α-helix	trans	-59	-34	176.1	-66.3	168.3	0	0	0	111.4	E725 Y726 K891 A892 K894	E725-L729 WeakPolarHBondContact O-CG 3.22Å; E725-L729 PolarHBondContact O-N 2.78Å; Y726-L729 PolarHBondContact O-N 2.61Å; L729-K891 HydrophobicContact CD1-CD 4.38Å; L729-K891 HydrophobicContact CD1-CG 3.92Å; L729-K891 HydrophobicContact CD2-CD 4.41Å; L729-K891 HydrophobicContact CD2-CG 4.06Å; L729-A892 HydrophobicContact CD2-CB 4.26Å; L729-K894 PolarHBondContact O-NZ 2.87Å
730	M	95	Very high	93.1	Very high	2 Å²	2	35.4 Å²	35.4	1%	0.01	18%	0.18	C	C	.	.	H	α-helix	trans	-81.4	-32.1	177.8	-64.2	-45.5	-66.6	0	0	114.6	Y726 L727 D728 K894 N929 W932 T933	Y726-M730 HydrophobicContact CD1-CG 4.09Å; Y726-M730 HydrophobicContact CD2-CG 4.46Å; Y726-M730 HydrophobicContact CE1-CG 3.63Å; Y726-M730 HydrophobicContact CE2-CG 4.04Å; Y726-M730 HydrophobicContact CE2-SD 4.13Å; Y726-M730 HydrophobicContact CG-CG 4.48Å; Y726-M730 VanDerWaalsContact O-CG 3.29Å; Y726-M730 WeakPolarHBondContact O-CG 3.28Å; Y726-M730 PolarHBondContact O-N 2.81Å; L727-M730 PolarHBondContact O-N 2.75Å; D728-M730 PolarHBondContact O-N 3.13Å; M730-K894 HydrophobicContact CE-CB 3.98Å; M730-K894 HydrophobicContact CE-CD 4.09Å; M730-K894 PolarHBondContact O-NZ 2.81Å; M730-K894 HydrophobicContact SD-CB 4.4Å; M730-K894 HydrophobicContact SD-CD 4.24Å; M730-N929 HydrophobicContact CE-CB 3.79Å; M730-N929 WeakPolarHBondContact CE-O 3.28Å; M730-N929 HydrophobicContact SD-CB 3.95Å; M730-W932 HydrophobicContact CB-CD2 4.49Å; M730-W932 HydrophobicContact CB-CE3 3.8Å; M730-W932 HydrophobicContact CB-CH2 3.92Å; M730-W932 HydrophobicContact CB-CZ3 3.5Å; M730-W932 HydrophobicContact CE-CB 4.22Å; M730-W932 HydrophobicContact CE-CD2 4.07Å; M730-W932 HydrophobicContact CE-CE3 3.54Å; M730-W932 HydrophobicContact CE-CG 4.36Å; M730-W932 HydrophobicContact CE-CZ3 4.32Å; M730-W932 HydrophobicContact CG-CD2 4.22Å; M730-W932 HydrophobicContact CG-CE3 3.95Å; M730-W932 HydrophobicContact CG-CZ3 4.13Å; M730-T933 WeakPolarHBondContact CE-OG1 3.35Å
731	L	94.3	Very high	92.8	Very high	0 Å²	0	38.5 Å²	38.5	0%	0	20%	0.196	C	C	.	.	H	α-helix	trans	-98.8	-17.7	-179.7	-84.2	73.3	0	0	0	115	L727 D728 T734 I740 W932 V940 V941 I944	L727-L731 WeakPolarHBondContact O-CB 3.49Å; L727-L731 WeakPolarHBondContact O-CD1 3.4Å; L727-L731 PolarHBondContact O-N 3.45Å; D728-L731 PolarHBondContact O-N 3.15Å; L731-T734 WeakPolarHBondContact O-CB 3.41Å; L731-T734 WeakPolarHBondContact O-CG2 3.44Å; L731-T734 PolarHBondContact O-N 3.29Å; L731-T734 PolarHBondContact O-OG1 3.23Å; L731-I740 HydrophobicContact CB-CB 3.89Å; L731-I740 HydrophobicContact CB-CG1 4.48Å; L731-I740 HydrophobicContact CB-CG2 3.67Å; L731-I740 HydrophobicContact CD2-CB 3.95Å; L731-I740 HydrophobicContact CG-CB 4.5Å; L731-W932 HydrophobicContact CD1-CH2 3.74Å; L731-W932 HydrophobicContact CD1-CZ3 4.06Å; L731-V940 HydrophobicContact CD1-CG1 4.46Å; L731-V941 HydrophobicContact CD2-CG2 3.8Å; L731-V941 HydrophobicContact CG-CG2 4.5Å; L731-I944 HydrophobicContact CD2-CD1 4.39Å
732	S	89.6	Confident	92.6	Very high	2 Å²	2	39.5 Å²	39.5	1%	0.014	20%	0.197	C	C	.	.	T	Hydrogen-bonded Turn	trans	-68.9	155.8	175.4	57.1	0	0	0	0	113	D728 T734 E737 R858 K894	D728-S732 WeakPolarHBondContact O-CB 3.24Å; D728-S732 PolarHBondContact O-N 3.24Å; D728-S732 PolarHBondContact O-OG 3.48Å; S732-T734 PolarHBondContact O-N 3.31Å; S732-E737 WeakPolarHBondContact CA-OE2 3.48Å; S732-R858 PolarHBondContact OG-NH2 3.09Å; S732-K894 PolarHBondContact O-NZ 2.84Å
733	S	87.1	Confident	92.5	Very high	100 Å²	100	38.3 Å²	38.3	70%	0.699	19%	0.193	S	C	*	.	T	Hydrogen-bonded Turn	trans	55.4	21.5	-166.1	-54.7	0	0	0	0	113.7	E737	S733-E737 PolarHBondContact N-OE2 3.35Å
734	T	90.8	Very high	92.3	Very high	42 Å²	42	38.4 Å²	38.4	26%	0.258	20%	0.197	S	C	.	.	S	Bend	trans	-120.8	167.4	171.3	86.4	0	0	0	0	110.6	L731 S732 Y736 E737	L731-T734 WeakPolarHBondContact O-CB 3.41Å; L731-T734 WeakPolarHBondContact O-CG2 3.44Å; L731-T734 PolarHBondContact O-N 3.29Å; L731-T734 PolarHBondContact O-OG1 3.23Å; S732-T734 PolarHBondContact O-N 3.31Å; T734-Y736 PolarHBondContact O-N 3.47Å; T734-Y736 PolarHBondContact OG1-N 2.99Å; T734-Y736 VanDerWaalsContact OG1-N 3.16Å; T734-E737 PolarHBondContact O-N 3.05Å
735	R	93	Very high	92.1	Very high	204 Å²	204	41.6 Å²	41.6	77%	0.77	21%	0.213	S	C	*	.	T	Hydrogen-bonded Turn	trans	-64.1	-3.1	175.6	73.2	-177.9	-175.6	-168.6	2.4	115
736	Y	93.7	Very high	92	Very high	48 Å²	48	42.2 Å²	42.2	19%	0.188	22%	0.218	C	C	.	.	T	Hydrogen-bonded Turn	trans	-111.1	11.5	-178.9	-45.8	-71.4	0	0	0	113.1	T734 S738 D739 I740 L937 V941	T734-Y736 PolarHBondContact O-N 3.47Å; T734-Y736 PolarHBondContact OG1-N 2.99Å; T734-Y736 VanDerWaalsContact OG1-N 3.16Å; Y736-S738 PolarHBondContact O-N 3.44Å; Y736-D739 WeakPolarHBondContact O-CB 3.41Å; Y736-D739 PolarHBondContact O-N 2.88Å; Y736-I740 PolarHBondContact O-N 3.45Å; Y736-L937 HydrophobicContact CD2-CD2 3.75Å; Y736-L937 HydrophobicContact CE2-CD2 3.52Å; Y736-V941 HydrophobicContact CD1-CB 4.49Å; Y736-V941 HydrophobicContact CD1-CG1 3.6Å; Y736-V941 HydrophobicContact CD1-CG2 4.02Å; Y736-V941 HydrophobicContact CD2-CG2 3.86Å; Y736-V941 HydrophobicContact CE1-CG1 3.74Å; Y736-V941 HydrophobicContact CE1-CG2 4.47Å; Y736-V941 HydrophobicContact CE2-CG2 4.31Å; Y736-V941 HydrophobicContact CG-CG1 4.13Å; Y736-V941 HydrophobicContact CG-CG2 3.66Å
737	E	90.8	Very high	91.8	Very high	57 Å²	57	41.1 Å²	41.1	27%	0.266	22%	0.215	S	C	.	.	H	α-helix	trans	-58.2	-30.3	177.5	-171.8	167.8	147	0	0	112.3	S732 S733 T734 I740 N741	S732-E737 WeakPolarHBondContact CA-OE2 3.48Å; S733-E737 PolarHBondContact N-OE2 3.35Å; T734-E737 PolarHBondContact O-N 3.05Å; E737-I740 VanDerWaalsContact O-CG2 3.3Å; E737-I740 WeakPolarHBondContact O-CG2 3.36Å; E737-N741 WeakPolarHBondContact O-CB 3.42Å; E737-N741 PolarHBondContact O-N 2.95Å; E737-N741 PolarHBondContact O-ND2 3.22Å
738	S	91	Very high	91.5	Very high	75 Å²	75	45.2 Å²	45.2	52%	0.524	23%	0.231	S	C	.	.	H	α-helix	trans	-74.9	-20.7	173.3	57.4	0	0	0	0	114.4	Y736 R742	Y736-S738 PolarHBondContact O-N 3.44Å; S738-R742 VanDerWaalsContact O-CB 3.28Å; S738-R742 WeakPolarHBondContact O-CB 3.35Å; S738-R742 PolarHBondContact O-N 3.31Å
739	D	92.6	Very high	91.3	Very high	13 Å²	13	45.8 Å²	45.8	7%	0.07	23%	0.232	C	C	.	.	H	α-helix	trans	-75	-47	172.5	-78.9	-56.9	0	0	0	110.8	Y736 R742 F743 I944 Q945	Y736-D739 WeakPolarHBondContact O-CB 3.41Å; Y736-D739 PolarHBondContact O-N 2.88Å; D739-R742 WeakPolarHBondContact O-CB 3.45Å; D739-R742 PolarHBondContact O-N 2.81Å; D739-R742 IonicContact OD1-CZ 2.8Å; D739-R742 VanDerWaalsContact OD1-CZ 3.23Å; D739-R742 IonicContact OD1-NH1 3.88Å; D739-R742 PolarHBondContact OD1-NH1 3.49Å; D739-R742 IonicContact OD1-NH2 3.94Å; D739-R742 PolarHBondContact OD1-NH2 2.99Å; D739-F743 PolarHBondContact O-N 2.99Å; D739-I944 HydrophobicContact CB-CG2 3.89Å; D739-I944 WeakPolarHBondContact O-CG2 3.39Å; D739-Q945 VanDerWaalsContact OD1-CG 3.3Å; D739-Q945 WeakPolarHBondContact OD1-CG 3.44Å; D739-Q945 PolarHBondContact OD2-NE2 2.88Å
740	I	92.6	Very high	91	Very high	2 Å²	2	46.2 Å²	46.2	1%	0.01	24%	0.239	C	C	.	.	H	α-helix	trans	-67.3	-41.7	-179.9	-172.4	53.2	0	0	0	112.7	L727 D728 L731 Y736 E737 R742 F743 A744 I944	L727-I740 HydrophobicContact CB-CD1 3.6Å; L727-I740 HydrophobicContact CB-CG1 4.3Å; D728-I740 HydrophobicContact CB-CG1 4.3Å; L731-I740 HydrophobicContact CB-CB 3.89Å; L731-I740 HydrophobicContact CB-CG1 4.48Å; L731-I740 HydrophobicContact CB-CG2 3.67Å; L731-I740 HydrophobicContact CD2-CB 3.95Å; L731-I740 HydrophobicContact CG-CB 4.5Å; Y736-I740 PolarHBondContact O-N 3.45Å; E737-I740 VanDerWaalsContact O-CG2 3.3Å; E737-I740 WeakPolarHBondContact O-CG2 3.36Å; I740-R742 PolarHBondContact O-N 3.14Å; I740-F743 HydrophobicContact CD1-CB 4.49Å; I740-F743 HydrophobicContact CD1-CD1 3.86Å; I740-F743 PolarHBondContact O-N 3.07Å; I740-A744 PolarHBondContact O-N 2.67Å; I740-I944 HydrophobicContact CD1-CD1 4.41Å
741	N	90.1	Very high	90.7	Very high	69 Å²	69	47.1 Å²	47.1	37%	0.369	24%	0.244	S	C	.	.	H	α-helix	trans	-59	-36.5	173.5	-82.7	-67.3	0	0	0	111.9	E737 L745	E737-N741 WeakPolarHBondContact O-CB 3.42Å; E737-N741 PolarHBondContact O-N 2.95Å; E737-N741 PolarHBondContact O-ND2 3.22Å; N741-L745 WeakPolarHBondContact O-CB 3.38Å; N741-L745 WeakPolarHBondContact O-CG 3.25Å; N741-L745 PolarHBondContact O-N 3.07Å
742	R	90.2	Very high	90.2	Very high	32 Å²	32	52.9 Å²	52.9	12%	0.121	27%	0.267	C	S	.	.	H	α-helix	trans	-70	-41.2	176.5	-169.5	174.5	82	-106.2	-2.8	112.5	S738 D739 I740 N746 V948 P949 M951	S738-R742 VanDerWaalsContact O-CB 3.28Å; S738-R742 WeakPolarHBondContact O-CB 3.35Å; S738-R742 PolarHBondContact O-N 3.31Å; D739-R742 WeakPolarHBondContact O-CB 3.45Å; D739-R742 PolarHBondContact O-N 2.81Å; D739-R742 IonicContact OD1-CZ 2.8Å; D739-R742 VanDerWaalsContact OD1-CZ 3.23Å; D739-R742 IonicContact OD1-NH1 3.88Å; D739-R742 PolarHBondContact OD1-NH1 3.49Å; D739-R742 IonicContact OD1-NH2 3.94Å; D739-R742 PolarHBondContact OD1-NH2 2.99Å; I740-R742 PolarHBondContact O-N 3.14Å; R742-N746 VanDerWaalsContact O-CB 3.26Å; R742-N746 WeakPolarHBondContact O-CB 3.4Å; R742-N746 PolarHBondContact O-N 3.31Å; R742-V948 HydrophobicContact CG-CG1 3.88Å; R742-V948 PolarHBondContact NE-O 3.26Å; R742-V948 VanDerWaalsContact NE-O 3.11Å; R742-V948 PolarHBondContact NH2-O 2.86Å; R742-P949 WeakPolarHBondContact CD-O 3.42Å; R742-P949 PolarHBondContact NE-O 3.46Å; R742-M951 HydrophobicContact CB-CE 4.39Å; R742-M951 HydrophobicContact CB-CG 4.43Å; R742-M951 HydrophobicContact CG-CG 3.95Å
743	F	92.7	Very high	90.1	Very high	5 Å²	5	58.5 Å²	58.5	2%	0.022	29%	0.293	C	S	.	.	H	α-helix	trans	-61.1	-48.3	173.3	173.5	-124.5	0	0	0	111.8	L702 T705 I724 L727 D739 I740 N746 A747 W943 I944 V948	L702-F743 HydrophobicContact CD2-CE1 4.05Å; L702-F743 HydrophobicContact CD2-CZ 3.94Å; T705-F743 HydrophobicContact CG2-CZ 4.23Å; I724-F743 HydrophobicContact CG1-CE1 3.97Å; L727-F743 HydrophobicContact CD1-CE1 4.31Å; D739-F743 PolarHBondContact O-N 2.99Å; I740-F743 HydrophobicContact CD1-CB 4.49Å; I740-F743 HydrophobicContact CD1-CD1 3.86Å; I740-F743 PolarHBondContact O-N 3.07Å; F743-N746 PolarHBondContact O-N 3.43Å; F743-A747 PolarHBondContact O-N 3.06Å; F743-W943 HydrophobicContact CD2-CH2 4.48Å; F743-W943 AromaticContact CD2-CZ3 3.84Å; F743-W943 HydrophobicContact CD2-CZ3 3.84Å; F743-W943 AromaticContact CE2-CH2 3.91Å; F743-W943 HydrophobicContact CE2-CH2 3.91Å; F743-W943 AromaticContact CE2-CZ3 3.6Å; F743-W943 HydrophobicContact CE2-CZ3 3.6Å; F743-W943 HydrophobicContact CZ-CZ3 4.34Å; F743-I944 HydrophobicContact CB-CD1 4.14Å; F743-I944 HydrophobicContact CB-CG1 4.16Å; F743-I944 HydrophobicContact CB-CG2 4.1Å; F743-I944 HydrophobicContact CD1-CD1 4.42Å; F743-I944 HydrophobicContact CG-CD1 4.39Å; F743-I944 HydrophobicContact CG-CG1 4.28Å; F743-V948 HydrophobicContact CB-CG2 4.26Å; F743-V948 HydrophobicContact CD2-CG2 3.88Å
744	A	91.6	Very high	89.9	Confident	18 Å²	18	60 Å²	60	15%	0.149	28%	0.283	C	S	.	.	H	α-helix	trans	-59.5	-49.1	178.5	0	0	0	0	0	111.9	I724 I740 N746 A747 Y748	I724-A744 HydrophobicContact CG2-CB 3.86Å; I740-A744 PolarHBondContact O-N 2.67Å; A744-N746 PolarHBondContact O-N 3.21Å; A744-A747 PolarHBondContact O-N 2.96Å; A744-Y748 HydrophobicContact CB-CE2 4.38Å; A744-Y748 WeakPolarHBondContact O-CD2 3.31Å; A744-Y748 PolarHBondContact O-N 2.94Å
745	L	90.3	Very high	89.4	Confident	75 Å²	75	64.1 Å²	64.1	39%	0.393	30%	0.303	S	S	.	.	H	α-helix	trans	-61.5	-44.3	177.9	-75.1	166.7	0	0	0	112.4	N741 A747 Y748 E749 M951	N741-L745 WeakPolarHBondContact O-CB 3.38Å; N741-L745 WeakPolarHBondContact O-CG 3.25Å; N741-L745 PolarHBondContact O-N 3.07Å; L745-A747 VanDerWaalsContact C-N 3.27Å; L745-A747 PolarHBondContact O-N 3.04Å; L745-Y748 PolarHBondContact O-N 3.15Å; L745-E749 WeakPolarHBondContact O-CB 3.38Å; L745-E749 PolarHBondContact O-N 3.01Å; L745-M951 HydrophobicContact CD1-CE 3.51Å
746	N	89.3	Confident	88.6	Confident	58 Å²	58	56.3 Å²	56.3	31%	0.31	29%	0.286	S	S	.	.	H	α-helix	trans	-62.6	-33	177	-175	111.2	0	0	0	112.4	R742 F743 A744 V948	R742-N746 VanDerWaalsContact O-CB 3.26Å; R742-N746 WeakPolarHBondContact O-CB 3.4Å; R742-N746 PolarHBondContact O-N 3.31Å; F743-N746 PolarHBondContact O-N 3.43Å; A744-N746 PolarHBondContact O-N 3.21Å; N746-V948 HydrophobicContact CB-CG1 3.65Å
747	A	89.8	Confident	87.5	Confident	6 Å²	6	60 Å²	60	5%	0.05	30%	0.303	C	S	.	.	H	α-helix	trans	-69	-51.5	173.6	0	0	0	0	0	111	W717 I724 F743 A744 L745	W717-A747 HydrophobicContact CH2-CB 4.38Å; W717-A747 WeakPolarHBondContact CH2-O 3.41Å; I724-A747 HydrophobicContact CD1-CB 4.31Å; F743-A747 PolarHBondContact O-N 3.06Å; A744-A747 PolarHBondContact O-N 2.96Å; L745-A747 VanDerWaalsContact C-N 3.27Å; L745-A747 PolarHBondContact O-N 3.04Å
748	Y	90.3	Very high	86.3	Confident	88 Å²	88	66 Å²	66	35%	0.345	33%	0.331	S	S	.	.	H	α-helix	trans	-75.6	-21.2	-174.3	-66.1	-60.3	0	0	0	114.8	W717 A721 A744 L745 A750 V751 Y752	W717-Y748 HydrophobicContact CE3-CD1 4.04Å; W717-Y748 AromaticContact CE3-CE1 3.68Å; W717-Y748 HydrophobicContact CE3-CE1 3.68Å; W717-Y748 HydrophobicContact CH2-CD1 4.03Å; W717-Y748 HydrophobicContact CH2-CE1 4.39Å; W717-Y748 AromaticContact CZ3-CD1 3.5Å; W717-Y748 HydrophobicContact CZ3-CD1 3.5Å; W717-Y748 VanDerWaalsContact CZ3-CD1 3.5Å; W717-Y748 AromaticContact CZ3-CE1 3.43Å; W717-Y748 HydrophobicContact CZ3-CE1 3.43Å; W717-Y748 VanDerWaalsContact CZ3-CE1 3.43Å; W717-Y748 HydrophobicContact CZ3-CG 4.5Å; A721-Y748 WeakPolarHBondContact CA-OH 3.49Å; A721-Y748 WeakPolarHBondContact CB-OH 3.29Å; A744-Y748 HydrophobicContact CB-CE2 4.38Å; A744-Y748 WeakPolarHBondContact O-CD2 3.31Å; A744-Y748 PolarHBondContact O-N 2.94Å; L745-Y748 PolarHBondContact O-N 3.15Å; Y748-A750 VanDerWaalsContact C-N 3.32Å; Y748-A750 PolarHBondContact O-N 3.06Å; Y748-V751 PolarHBondContact O-N 2.97Å; Y748-V751 VanDerWaalsContact O-N 3.1Å; Y748-Y752 WeakPolarHBondContact O-CB 3.18Å; Y748-Y752 PolarHBondContact O-N 3.39Å
749	E	88.7	Confident	84.8	Confident	47 Å²	47	65.8 Å²	65.8	22%	0.22	33%	0.328	C	S	.	.	H	α-helix	trans	-53.1	-43.1	-171.7	178.1	166.2	-155.6	0	0	113.7	L745 Y752 H753 K958	L745-E749 WeakPolarHBondContact O-CB 3.38Å; L745-E749 PolarHBondContact O-N 3.01Å; E749-Y752 PolarHBondContact O-N 3.47Å; E749-H753 VanDerWaalsContact CG-NE2 3.33Å; E749-H753 WeakPolarHBondContact CG-NE2 3.43Å; E749-H753 PolarHBondContact O-CD2 2.81Å; E749-H753 PolarHBondContact O-N 2.98Å; E749-H753 IonicContact OE1-CD2 2.71Å; E749-H753 IonicContact OE1-NE2 3.13Å; E749-H753 PolarHBondContact OE1-NE2 3.22Å; E749-K958 IonicContact OE1-NZ 2.76Å
750	A	87.7	Confident	83.1	Confident	27 Å²	27	69.7 Å²	69.7	22%	0.223	35%	0.352	C	S	.	.	H	α-helix	trans	-66.1	-40	-179.3	0	0	0	0	0	112.6	P709 Y748 R754	P709-A750 HydrophobicContact CB-CB 3.78Å; P709-A750 WeakPolarHBondContact O-CB 3.29Å; Y748-A750 VanDerWaalsContact C-N 3.32Å; Y748-A750 PolarHBondContact O-N 3.06Å; A750-R754 WeakPolarHBondContact O-CB 3.49Å; A750-R754 WeakPolarHBondContact O-CG 3.33Å; A750-R754 PolarHBondContact O-N 3.28Å; A750-R754 VanDerWaalsContact O-N 3.1Å
751	V	87.5	Confident	81.2	Confident	22 Å²	22	77 Å²	77	13%	0.133	39%	0.391	C	S	.	.	H	α-helix	trans	-75.1	-38.9	177.8	174.6	0	0	0	0	110.9	M712 W717 Y748 H753 R754 L755	M712-V751 HydrophobicContact SD-CG2 4.34Å; W717-V751 HydrophobicContact CZ2-CB 4.44Å; W717-V751 HydrophobicContact CZ2-CG2 3.51Å; Y748-V751 PolarHBondContact O-N 2.97Å; Y748-V751 VanDerWaalsContact O-N 3.1Å; V751-H753 PolarHBondContact O-N 3.43Å; V751-R754 PolarHBondContact O-N 3.23Å; V751-L755 HydrophobicContact CG1-CD1 3.74Å; V751-L755 HydrophobicContact CG1-CG 4.07Å; V751-L755 WeakPolarHBondContact O-CB 3.19Å; V751-L755 WeakPolarHBondContact O-CG 3.3Å; V751-L755 PolarHBondContact O-N 2.66Å
752	Y	85.3	Confident	79.4	Confident	120 Å²	120	79.1 Å²	79.1	47%	0.471	41%	0.411	S	S	.	.	H	α-helix	trans	-54.7	-49.2	173.4	178.1	-85.8	0	0	0	111.6	Y748 E749 G756 F757	Y748-Y752 WeakPolarHBondContact O-CB 3.18Å; Y748-Y752 PolarHBondContact O-N 3.39Å; E749-Y752 PolarHBondContact O-N 3.47Å; Y752-G756 PolarHBondContact O-N 2.91Å; Y752-F757 HydrophobicContact CD1-CE2 4.34Å; Y752-F757 AromaticContact CD2-CE2 3.7Å; Y752-F757 HydrophobicContact CD2-CE2 3.7Å; Y752-F757 AromaticContact CD2-CZ 3.84Å; Y752-F757 HydrophobicContact CD2-CZ 3.84Å; Y752-F757 AromaticContact CE1-CE2 3.97Å; Y752-F757 HydrophobicContact CE1-CE2 3.97Å; Y752-F757 HydrophobicContact CE2-CD2 4.36Å; Y752-F757 AromaticContact CE2-CE2 3.26Å; Y752-F757 HydrophobicContact CE2-CE2 3.26Å; Y752-F757 AromaticContact CE2-CZ 3.47Å; Y752-F757 HydrophobicContact CE2-CZ 3.47Å; Y752-F757 VanDerWaalsContact CE2-CZ 3.47Å; Y752-F757 HydrophobicContact CG-CE2 4.21Å; Y752-F757 AromaticContact CZ-CE2 3.41Å; Y752-F757 VanDerWaalsContact CZ-CE2 3.41Å
753	H	86.2	Confident	77.4	Confident	120 Å²	120	78.7 Å²	78.7	56%	0.556	42%	0.415	S	S	*	.	H	α-helix	trans	-73.1	-25.5	177.5	-74.1	-50.2	0	0	0	113.9	E749 V751 K958	E749-H753 VanDerWaalsContact CG-NE2 3.33Å; E749-H753 WeakPolarHBondContact CG-NE2 3.43Å; E749-H753 PolarHBondContact O-CD2 2.81Å; E749-H753 PolarHBondContact O-N 2.98Å; E749-H753 IonicContact OE1-CD2 2.71Å; E749-H753 IonicContact OE1-NE2 3.13Å; E749-H753 PolarHBondContact OE1-NE2 3.22Å; V751-H753 PolarHBondContact O-N 3.43Å; H753-K958 PolarHBondContact NE2-NZ 2.81Å; H753-K958 VanDerWaalsContact NE2-NZ 3.11Å
754	R	84.4	Confident	74.9	Confident	133 Å²	133	81.2 Å²	81.2	50%	0.502	44%	0.437	S	S	.	.	H	α-helix	trans	-76.6	-33	174.4	-76.9	173	-177.5	-175.9	0.5	113.5	P709 Q710 M712 A750 V751	P709-R754 PolarHBondContact O-NH2 3.36Å; Q710-R754 PolarHBondContact O-NH1 3.27Å; M712-R754 HydrophobicContact CE-CB 4.37Å; M712-R754 HydrophobicContact SD-CB 4.45Å; M712-R754 WeakPolarHBondContact SD-CD 3.35Å; M712-R754 PolarHBondContact SD-NH1 2.89Å; A750-R754 WeakPolarHBondContact O-CB 3.49Å; A750-R754 WeakPolarHBondContact O-CG 3.33Å; A750-R754 PolarHBondContact O-N 3.28Å; A750-R754 VanDerWaalsContact O-N 3.1Å; V751-R754 PolarHBondContact O-N 3.23Å
755	L	79.8	Confident	72.8	Confident	128 Å²	128	83.1 Å²	83.1	67%	0.67	45%	0.447	S	S	*	.	H	α-helix	trans	-76.7	-43.3	178.6	-71.5	173.8	0	0	0	111.8	V751	V751-L755 HydrophobicContact CG1-CD1 3.74Å; V751-L755 HydrophobicContact CG1-CG 4.07Å; V751-L755 WeakPolarHBondContact O-CB 3.19Å; V751-L755 WeakPolarHBondContact O-CG 3.3Å; V751-L755 PolarHBondContact O-N 2.66Å
756	G	75.2	Confident	70.9	Confident	40 Å²	40	90.2 Å²	90.2	41%	0.412	47%	0.474	S	S	.	.			trans	68	177.6	-178	0	0	0	0	0	114.2	Y752	Y752-G756 PolarHBondContact O-N 2.91Å
757	F	71.7	Confident	68.8	Low	125 Å²	125	96.3 Å²	96.3	55%	0.548	50%	0.501	S	S	.	.			trans	-138.5	10.4	-177.5	-63.8	-87.9	0	0	0	113.1	Y752	Y752-F757 HydrophobicContact CD1-CE2 4.34Å; Y752-F757 AromaticContact CD2-CE2 3.7Å; Y752-F757 HydrophobicContact CD2-CE2 3.7Å; Y752-F757 AromaticContact CD2-CZ 3.84Å; Y752-F757 HydrophobicContact CD2-CZ 3.84Å; Y752-F757 AromaticContact CE1-CE2 3.97Å; Y752-F757 HydrophobicContact CE1-CE2 3.97Å; Y752-F757 HydrophobicContact CE2-CD2 4.36Å; Y752-F757 AromaticContact CE2-CE2 3.26Å; Y752-F757 HydrophobicContact CE2-CE2 3.26Å; Y752-F757 AromaticContact CE2-CZ 3.47Å; Y752-F757 HydrophobicContact CE2-CZ 3.47Å; Y752-F757 VanDerWaalsContact CE2-CZ 3.47Å; Y752-F757 HydrophobicContact CG-CE2 4.21Å; Y752-F757 AromaticContact CZ-CE2 3.41Å; Y752-F757 VanDerWaalsContact CZ-CE2 3.41Å
758	E	65.8	Low	66.5	Low	183 Å²	183	98.8 Å²	98.8	86%	0.855	53%	0.527	S	S	*	.	P	Polyproline II helix	trans	-66.5	130.2	176.1	-65.6	-166.4	166.2	0	0	110.1	T760	E758-T760 PolarHBondContact O-N 2.77Å
759	P	59.2	Low	64.7	Low	71 Å²	71	97.5 Å²	97.5	46%	0.461	53%	0.534	S	S	.	.	P	Polyproline II helix	trans	-71	116.2	177.7	28.5	-32.7	0	0	0	109.6	A763 Y770	P759-A763 HydrophobicContact CB-CB 4.33Å; P759-Y770 HydrophobicContact CB-CD1 3.65Å; P759-Y770 HydrophobicContact CB-CE1 3.8Å; P759-Y770 HydrophobicContact CG-CD1 3.72Å; P759-Y770 HydrophobicContact CG-CE1 3.52Å
760	T	57.3	Low	62.9	Low	94 Å²	94	102.9 Å²	102.9	58%	0.577	55%	0.554	S	S	*	*	P	Polyproline II helix	trans	-58.6	151.9	170	51	0	0	0	0	110.9	E758 S762 A763	E758-T760 PolarHBondContact O-N 2.77Å; T760-S762 PolarHBondContact O-N 3.04Å; T760-S762 PolarHBondContact OG1-OG 3Å; T760-S762 VanDerWaalsContact OG1-OG 3.13Å; T760-A763 WeakPolarHBondContact O-CB 3.41Å; T760-A763 PolarHBondContact O-N 3.4Å
761	D	52.6	Low	62	Low	156 Å²	156	107.2 Å²	107.2	83%	0.834	57%	0.565	S	S	*	*	G	3₁₀ helix	trans	-54.4	-27.9	-178.1	-66.6	-54	0	0	0	113.4	A763 A764	D761-A763 PolarHBondContact O-N 3.46Å; D761-A764 WeakPolarHBondContact O-CB 3.32Å; D761-A764 PolarHBondContact O-N 3.06Å; D761-A764 VanDerWaalsContact O-N 3.12Å
762	S	51.9	Low	61.4	Low	113 Å²	113	108.9 Å²	108.9	79%	0.79	57%	0.572	S	S	*	*	G	3₁₀ helix	trans	-65.7	-13.7	175.1	54.8	0	0	0	0	114.8	T760	T760-S762 PolarHBondContact O-N 3.04Å; T760-S762 PolarHBondContact OG1-OG 3Å; T760-S762 VanDerWaalsContact OG1-OG 3.13Å
763	A	47.4	Very low	60.9	Low	23 Å²	23	106.2 Å²	106.2	19%	0.19	57%	0.57	C	S	.	*	G	3₁₀ helix	trans	-85.8	-9.1	173.3	0	0	0	0	0	113.6	P759 T760 D761 T765	P759-A763 HydrophobicContact CB-CB 4.33Å; T760-A763 WeakPolarHBondContact O-CB 3.41Å; T760-A763 PolarHBondContact O-N 3.4Å; D761-A763 PolarHBondContact O-N 3.46Å; A763-T765 PolarHBondContact O-N 3.39Å
764	A	41.1	Very low	60.4	Low	59 Å²	59	103.5 Å²	103.5	49%	0.488	56%	0.558	S	S	.	*	B	Isolated β-bridge	trans	-74.9	112.9	179.3	0	0	0	0	0	111.3	D761	D761-A764 WeakPolarHBondContact O-CB 3.32Å; D761-A764 PolarHBondContact O-N 3.06Å; D761-A764 VanDerWaalsContact O-N 3.12Å
765	T	47.3	Very low	59.9	Low	57 Å²	57	101 Å²	101	35%	0.35	56%	0.555	S	S	.	*			trans	-72.7	159	171.6	64.7	0	0	0	0	111.2	A763 Q767 G768 A769 R771	A763-T765 PolarHBondContact O-N 3.39Å; T765-Q767 PolarHBondContact O-N 3.16Å; T765-G768 PolarHBondContact O-N 3.39Å; T765-A769 WeakPolarHBondContact CG2-O 3.27Å; T765-A769 PolarHBondContact OG1-N 3.2Å; T765-A769 PolarHBondContact OG1-O 3.34Å; T765-R771 HydrophobicContact CG2-CB 4.24Å
766	K	51.2	Low	60	Low	224 Å²	224	98.1 Å²	98.1	97%	0.974	54%	0.539	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.8	-1.5	176.6	-70.6	-173.9	176.3	180	0	115.6
767	Q	45.4	Very low	60.5	Low	187 Å²	187	96.7 Å²	96.7	87%	0.874	52%	0.521	S	S	*	.	T	Hydrogen-bonded Turn	trans	-122.3	14.7	177.3	-68.5	-177.6	-35.3	0	0	112.9	T765 A769	T765-Q767 PolarHBondContact O-N 3.16Å; Q767-A769 PolarHBondContact O-N 3.12Å; Q767-A769 VanDerWaalsContact O-N 3.14Å
768	G	41.1	Very low	61.3	Low	58 Å²	58	92 Å²	92	60%	0.598	50%	0.503	S	S	*	.	S	Bend	trans	72.7	0.6	176.7	0	0	0	0	0	115.2	T765 Y770	T765-G768 PolarHBondContact O-N 3.39Å; G768-Y770 PolarHBondContact O-N 2.99Å
769	A	51	Low	62.3	Low	60 Å²	60	86.1 Å²	86.1	50%	0.496	48%	0.48	S	S	.	.			trans	-79.1	114.7	173.1	0	0	0	0	0	109.8	T765 Q767 R771	T765-A769 WeakPolarHBondContact CG2-O 3.27Å; T765-A769 PolarHBondContact OG1-N 3.2Å; T765-A769 PolarHBondContact OG1-O 3.34Å; Q767-A769 PolarHBondContact O-N 3.12Å; Q767-A769 VanDerWaalsContact O-N 3.14Å; A769-R771 PolarHBondContact O-N 2.78Å
770	Y	52.5	Low	63.8	Low	161 Å²	161	85.6 Å²	85.6	63%	0.631	48%	0.476	S	S	*	.	B	Isolated β-bridge	trans	-65.7	112.8	167.9	-66.4	-79.9	0	0	0	109.3	P759 G768	P759-Y770 HydrophobicContact CB-CD1 3.65Å; P759-Y770 HydrophobicContact CB-CE1 3.8Å; P759-Y770 HydrophobicContact CG-CD1 3.72Å; P759-Y770 HydrophobicContact CG-CE1 3.52Å; G768-Y770 PolarHBondContact O-N 2.99Å
771	R	67.3	Low	65.5	Low	118 Å²	118	82.4 Å²	82.4	45%	0.445	45%	0.453	S	S	.	.	P	Polyproline II helix	trans	-87.7	127.6	175.4	-168	175.8	-174.5	-142.9	-2.7	108.5	K373 T765 A769 P773	K373-R771 VanDerWaalsContact O-CZ 3.28Å; K373-R771 PolarHBondContact O-NH1 3.22Å; K373-R771 PolarHBondContact O-NH2 3.02Å; T765-R771 HydrophobicContact CG2-CB 4.24Å; A769-R771 PolarHBondContact O-N 2.78Å; R771-P773 WeakPolarHBondContact O-CD 3.33Å; R771-P773 VanDerWaalsContact O-N 3.15Å
772	I	76.2	Confident	67.5	Low	56 Å²	56	75.4 Å²	75.4	29%	0.287	42%	0.416	S	S	.	.	P	Polyproline II helix	trans	-51	122.5	178.7	-57.3	162.7	0	0	0	109.2	L776 R777 V780 Y781	I772-L776 HydrophobicContact CG2-CB 4.15Å; I772-R777 HydrophobicContact CB-CG 3.99Å; I772-R777 HydrophobicContact CG2-CB 4.49Å; I772-R777 HydrophobicContact CG2-CG 3.74Å; I772-R777 PolarHBondContact O-NE 3.16Å; I772-R777 VanDerWaalsContact O-NE 3.07Å; I772-R777 PolarHBondContact O-NH2 3.05Å; I772-V780 HydrophobicContact CD1-CB 4.35Å; I772-V780 HydrophobicContact CD1-CG1 3.75Å; I772-V780 HydrophobicContact CG1-CG1 4.47Å; I772-V780 HydrophobicContact CG2-CB 4.22Å; I772-V780 HydrophobicContact CG2-CG2 3.97Å; I772-Y781 HydrophobicContact CD1-CE1 3.88Å
773	P	74.7	Confident	69.5	Low	65 Å²	65	73.9 Å²	73.9	42%	0.422	40%	0.402	S	S	.	.	P	Polyproline II helix	trans	-52.6	139.6	177.4	-29	36.4	0	0	0	111.2	R771 N775 L776 R777	R771-P773 WeakPolarHBondContact O-CD 3.33Å; R771-P773 VanDerWaalsContact O-N 3.15Å; P773-N775 VanDerWaalsContact C-N 3.27Å; P773-N775 PolarHBondContact O-N 3.18Å; P773-L776 HydrophobicContact CB-CB 4.45Å; P773-L776 HydrophobicContact CB-CD1 4.22Å; P773-L776 HydrophobicContact CB-CG 4.28Å; P773-L776 HydrophobicContact CG-CD1 4.1Å; P773-L776 WeakPolarHBondContact O-CA 3.26Å; P773-L776 PolarHBondContact O-N 2.93Å; P773-R777 PolarHBondContact O-N 3.15Å
774	M	74.7	Confident	71.7	Confident	62 Å²	62	75 Å²	75	31%	0.305	41%	0.408	S	S	.	.	G	3₁₀ helix	trans	-59.9	-37.8	-166.6	-70.1	178.8	-64.9	0	0	112.6	V375 L776 R777	V375-M774 PolarHBondContact N-SD 2.67Å; V375-M774 WeakPolarHBondContact O-CE 3.31Å; M774-L776 VanDerWaalsContact C-N 3.27Å; M774-L776 PolarHBondContact O-N 3.23Å; M774-R777 PolarHBondContact O-N 2.97Å
775	N	75.6	Confident	74.3	Confident	82 Å²	82	72.4 Å²	72.4	44%	0.439	39%	0.386	S	S	.	.	G	3₁₀ helix	trans	-67.6	-23.5	176.1	-58.2	-0.1	0	0	0	113.4	S376 G377 P773	S376-N775 WeakPolarHBondContact CA-OD1 3.04Å; S376-N775 WeakPolarHBondContact CB-OD1 3.29Å; G377-N775 PolarHBondContact N-OD1 3.27Å; P773-N775 VanDerWaalsContact C-N 3.27Å; P773-N775 PolarHBondContact O-N 3.18Å
776	L	80.9	Confident	76.5	Confident	66 Å²	66	70.5 Å²	70.5	35%	0.346	38%	0.376	S	S	.	.	G	3₁₀ helix	trans	-92.9	-13.8	-179.3	-62.8	-178	0	0	0	113.5	I772 P773 M774 T779 V780	I772-L776 HydrophobicContact CG2-CB 4.15Å; P773-L776 HydrophobicContact CB-CB 4.45Å; P773-L776 HydrophobicContact CB-CD1 4.22Å; P773-L776 HydrophobicContact CB-CG 4.28Å; P773-L776 HydrophobicContact CG-CD1 4.1Å; P773-L776 WeakPolarHBondContact O-CA 3.26Å; P773-L776 PolarHBondContact O-N 2.93Å; M774-L776 VanDerWaalsContact C-N 3.27Å; M774-L776 PolarHBondContact O-N 3.23Å; L776-T779 PolarHBondContact O-N 3.31Å; L776-V780 HydrophobicContact CB-CG2 4.4Å; L776-V780 WeakPolarHBondContact O-CG2 3.46Å; L776-V780 PolarHBondContact O-N 2.55Å
777	R	86.3	Confident	78.4	Confident	10 Å²	10	66.1 Å²	66.1	4%	0.038	36%	0.359	C	S	.	.	H	α-helix	trans	-55.6	-48.8	-177.8	-72.8	-177.6	-162.4	158.6	13.5	113.7	I772 P773 M774 T779 V780 Y781 E809	I772-R777 HydrophobicContact CB-CG 3.99Å; I772-R777 HydrophobicContact CG2-CB 4.49Å; I772-R777 HydrophobicContact CG2-CG 3.74Å; I772-R777 PolarHBondContact O-NE 3.16Å; I772-R777 VanDerWaalsContact O-NE 3.07Å; I772-R777 PolarHBondContact O-NH2 3.05Å; P773-R777 PolarHBondContact O-N 3.15Å; M774-R777 PolarHBondContact O-N 2.97Å; R777-T779 VanDerWaalsContact C-N 3.29Å; R777-T779 PolarHBondContact O-N 2.84Å; R777-V780 PolarHBondContact O-N 3.15Å; R777-Y781 HydrophobicContact CB-CD2 4.29Å; R777-Y781 HydrophobicContact CB-CE2 3.86Å; R777-Y781 HydrophobicContact CG-CE2 4.37Å; R777-Y781 VanDerWaalsContact O-CB 3.27Å; R777-Y781 WeakPolarHBondContact O-CB 3.32Å; R777-Y781 WeakPolarHBondContact O-CD2 3.49Å; R777-Y781 PolarHBondContact O-N 3.47Å; R777-E809 IonicContact CZ-OE2 3.35Å; R777-E809 IonicContact NH1-OE1 2.7Å; R777-E809 IonicContact NH1-OE2 3.13Å; R777-E809 PolarHBondContact NH1-OE2 2.99Å
778	P	87.6	Confident	80.6	Confident	26 Å²	26	58.4 Å²	58.4	17%	0.169	33%	0.328	C	S	.	.	H	α-helix	trans	-58.4	-42	179.1	-23.8	35	0	0	0	112.3	C782 A812 R815	P778-C782 WeakPolarHBondContact O-CB 3.44Å; P778-C782 PolarHBondContact O-N 3.27Å; P778-A812 HydrophobicContact CG-CB 4.17Å; P778-R815 HydrophobicContact CB-CB 4.45Å
779	T	87.9	Confident	82.7	Confident	60 Å²	60	65.5 Å²	65.5	37%	0.368	35%	0.345	S	S	.	.	H	α-helix	trans	-65.9	-50.2	178.3	-48	0	0	0	0	111.8	L776 R777 Y781 C782 V783	L776-T779 PolarHBondContact O-N 3.31Å; R777-T779 VanDerWaalsContact C-N 3.29Å; R777-T779 PolarHBondContact O-N 2.84Å; T779-Y781 PolarHBondContact O-N 3.45Å; T779-C782 PolarHBondContact O-N 2.94Å; T779-V783 HydrophobicContact CG2-CG2 4.49Å; T779-V783 WeakPolarHBondContact O-CB 3.26Å; T779-V783 WeakPolarHBondContact O-CG2 3.17Å; T779-V783 PolarHBondContact O-N 3.32Å
780	V	90	Very high	84.5	Confident	61 Å²	61	65.6 Å²	65.6	37%	0.37	34%	0.342	S	S	.	.	H	α-helix	trans	-64.5	-42.3	-179.4	175	0	0	0	0	111	I772 L776 R777 S784	I772-V780 HydrophobicContact CD1-CB 4.35Å; I772-V780 HydrophobicContact CD1-CG1 3.75Å; I772-V780 HydrophobicContact CG1-CG1 4.47Å; I772-V780 HydrophobicContact CG2-CB 4.22Å; I772-V780 HydrophobicContact CG2-CG2 3.97Å; L776-V780 HydrophobicContact CB-CG2 4.4Å; L776-V780 WeakPolarHBondContact O-CG2 3.46Å; L776-V780 PolarHBondContact O-N 2.55Å; R777-V780 PolarHBondContact O-N 3.15Å; V780-S784 WeakPolarHBondContact O-CB 3.3Å; V780-S784 PolarHBondContact O-N 3.11Å; V780-S784 PolarHBondContact O-OG 2.94Å
781	Y	93.5	Very high	86.3	Confident	27 Å²	27	61.3 Å²	61.3	11%	0.106	34%	0.336	C	S	.	.	H	α-helix	trans	-62.7	-46	175.8	-64.2	-14.2	0	0	0	111.4	I772 R777 T779 S784 V785 L797 E809 A812 L813	I772-Y781 HydrophobicContact CD1-CE1 3.88Å; R777-Y781 HydrophobicContact CB-CD2 4.29Å; R777-Y781 HydrophobicContact CB-CE2 3.86Å; R777-Y781 HydrophobicContact CG-CE2 4.37Å; R777-Y781 VanDerWaalsContact O-CB 3.27Å; R777-Y781 WeakPolarHBondContact O-CB 3.32Å; R777-Y781 WeakPolarHBondContact O-CD2 3.49Å; R777-Y781 PolarHBondContact O-N 3.47Å; T779-Y781 PolarHBondContact O-N 3.45Å; Y781-S784 PolarHBondContact O-N 3.07Å; Y781-S784 PolarHBondContact O-OG 2.9Å; Y781-V785 PolarHBondContact O-N 3.3Å; Y781-L797 HydrophobicContact CD1-CD2 4.19Å; Y781-L797 HydrophobicContact CG-CD1 4.26Å; Y781-L797 HydrophobicContact CG-CD2 4.39Å; Y781-E809 WeakPolarHBondContact CE2-OE1 3.09Å; Y781-E809 PolarHBondContact OH-OE1 3.06Å; Y781-A812 HydrophobicContact CD2-CB 4.32Å; Y781-A812 HydrophobicContact CE2-CB 4.29Å; Y781-L813 HydrophobicContact CD2-CD2 3.96Å; Y781-L813 HydrophobicContact CD2-CG 4.46Å; Y781-L813 HydrophobicContact CE2-CD2 3.71Å; Y781-L813 HydrophobicContact CE2-CG 4.16Å
782	C	94.1	Very high	87.6	Confident	8 Å²	8	62.6 Å²	62.6	5%	0.054	35%	0.347	C	S	.	.	H	α-helix	trans	-60	-52.2	176.7	179.7	0	0	0	0	112.5	P778 T779 S784 V785 A786 C819	P778-C782 WeakPolarHBondContact O-CB 3.44Å; P778-C782 PolarHBondContact O-N 3.27Å; T779-C782 PolarHBondContact O-N 2.94Å; C782-S784 VanDerWaalsContact C-N 3.33Å; C782-S784 PolarHBondContact O-N 2.96Å; C782-V785 PolarHBondContact O-N 3.3Å; C782-V785 VanDerWaalsContact O-N 3.16Å; C782-A786 WeakPolarHBondContact O-CB 3.18Å; C782-A786 PolarHBondContact O-N 3.27Å; C782-C819 VanDerWaalsContact CA-SG 3.6Å; C782-C819 HydrophobicContact CB-CB 3.89Å; C782-C819 WeakPolarHBondContact CB-SG 3.43Å; C782-C819 WeakPolarHBondContact O-CB 3.46Å; C782-C819 WeakPolarHBondContact SG-CB 3.47Å; C782-C819 CovalentContact SG-SG 2.03Å; C782-C819 PolarHBondContact SG-SG 2.94Å
783	V	92.8	Very high	88.5	Confident	81 Å²	81	63.4 Å²	63.4	49%	0.491	35%	0.35	S	S	.	.	H	α-helix	trans	-62.3	-40.4	178.8	173.9	0	0	0	0	111.3	T779 V785 A786 E787	T779-V783 HydrophobicContact CG2-CG2 4.49Å; T779-V783 WeakPolarHBondContact O-CB 3.26Å; T779-V783 WeakPolarHBondContact O-CG2 3.17Å; T779-V783 PolarHBondContact O-N 3.32Å; V783-V785 PolarHBondContact O-N 3.15Å; V783-A786 PolarHBondContact O-N 2.81Å; V783-E787 HydrophobicContact CG1-CG 4.37Å; V783-E787 PolarHBondContact O-N 2.99Å
784	S	93.6	Very high	89.5	Confident	46 Å²	46	61.1 Å²	61.1	32%	0.322	33%	0.332	S	S	.	.	H	α-helix	trans	-64.9	-18.9	178.2	74.7	0	0	0	0	114.5	V780 Y781 C782 Q793	V780-S784 WeakPolarHBondContact O-CB 3.3Å; V780-S784 PolarHBondContact O-N 3.11Å; V780-S784 PolarHBondContact O-OG 2.94Å; Y781-S784 PolarHBondContact O-N 3.07Å; Y781-S784 PolarHBondContact O-OG 2.9Å; C782-S784 VanDerWaalsContact C-N 3.33Å; C782-S784 PolarHBondContact O-N 2.96Å; S784-Q793 WeakPolarHBondContact O-CB 3.42Å; S784-Q793 WeakPolarHBondContact O-CG 3.48Å
785	V	96	Very high	90.6	Very high	5 Å²	5	61.1 Å²	61.1	3%	0.03	34%	0.338	C	S	.	.	H	α-helix	trans	-99.3	-35.9	175.5	169.2	0	0	0	0	111.5	Y781 C782 V783 L797 G816	Y781-V785 PolarHBondContact O-N 3.3Å; C782-V785 PolarHBondContact O-N 3.3Å; C782-V785 VanDerWaalsContact O-N 3.16Å; V783-V785 PolarHBondContact O-N 3.15Å; V785-L797 HydrophobicContact CG2-CD1 3.6Å; V785-L797 HydrophobicContact CG2-CG 4.41Å; V785-G816 WeakPolarHBondContact CB-O 3.5Å
786	A	93.2	Very high	91.6	Very high	17 Å²	17	63.2 Å²	63.2	14%	0.14	34%	0.344	C	S	.	.	H	α-helix	trans	-65.6	-44.4	177.4	0	0	0	0	0	111.7	C782 V783 A788 C819 K821	C782-A786 WeakPolarHBondContact O-CB 3.18Å; C782-A786 PolarHBondContact O-N 3.27Å; V783-A786 PolarHBondContact O-N 2.81Å; A786-A788 VanDerWaalsContact C-N 3.34Å; A786-C819 WeakPolarHBondContact CA-O 3.23Å; A786-C819 HydrophobicContact CB-CB 4.4Å; A786-K821 VanDerWaalsContact O-CD 3.31Å; A786-K821 WeakPolarHBondContact O-CD 3.14Å; A786-K821 WeakPolarHBondContact O-CE 3.41Å; A786-K821 PolarHBondContact O-NZ 2.76Å
787	E	92.3	Very high	92.3	Very high	132 Å²	132	60.3 Å²	60.3	62%	0.617	33%	0.329	S	S	*	.	T	Hydrogen-bonded Turn	trans	-94.8	15.5	-176.8	-54.8	-45.7	114.8	0	0	113.5	V783 K821	V783-E787 HydrophobicContact CG1-CG 4.37Å; V783-E787 PolarHBondContact O-N 2.99Å; E787-K821 VanDerWaalsContact CD-NZ 3.28Å; E787-K821 IonicContact OE1-NZ 2.99Å; E787-K821 PolarHBondContact OE1-NZ 2.83Å; E787-K821 IonicContact OE2-NZ 3.29Å; E787-K821 PolarHBondContact OE2-NZ 3.43Å
788	A	90.7	Very high	92.8	Very high	25 Å²	25	61.7 Å²	61.7	21%	0.207	33%	0.334	C	S	.	.			trans	-82.9	125.3	173.5	0	0	0	0	0	111.7	A786 S790 Q793	A786-A788 VanDerWaalsContact C-N 3.34Å; A788-S790 WeakPolarHBondContact CB-O 3.34Å; A788-S790 PolarHBondContact O-N 2.97Å; A788-Q793 HydrophobicContact CB-CB 3.96Å; A788-Q793 HydrophobicContact CB-CG 3.98Å
789	E	86.4	Confident	93.2	Very high	208 Å²	208	66.1 Å²	66.1	97%	0.972	35%	0.351	S	S	*	.	S	Bend	trans	-69.5	-11.5	171.2	-59.3	-174.5	151.9	0	0	113.3
790	S	89	Confident	93.5	Very high	61 Å²	61	67.5 Å²	67.5	43%	0.427	35%	0.352	S	S	.	.	S	Bend	trans	-141.8	163.5	-176.6	85.3	0	0	0	0	112.9	A788 Q792 Q793	A788-S790 WeakPolarHBondContact CB-O 3.34Å; A788-S790 PolarHBondContact O-N 2.97Å; S790-Q792 PolarHBondContact O-N 2.93Å; S790-Q792 VanDerWaalsContact O-N 3.17Å; S790-Q792 WeakPolarHBondContact OG-CB 3.21Å; S790-Q792 PolarHBondContact OG-N 2.68Å; S790-Q793 PolarHBondContact O-OE1 3.42Å
791	S	90.7	Very high	93.7	Very high	71 Å²	71	65 Å²	65	50%	0.497	34%	0.336	S	S	.	.	T	Hydrogen-bonded Turn	trans	-74.3	6.2	175.4	58.2	0	0	0	0	114.4	W794 S795	S791-W794 PolarHBondContact O-N 2.68Å; S791-S795 VanDerWaalsContact O-CB 3.31Å; S791-S795 WeakPolarHBondContact O-CB 3.23Å; S791-S795 PolarHBondContact O-N 3.42Å; S791-S795 PolarHBondContact O-OG 2.95Å
792	Q	93.9	Very high	93.7	Very high	145 Å²	145	67.5 Å²	67.5	68%	0.678	35%	0.354	S	S	*	.	H	α-helix	trans	-64	-47.3	-179.5	-174.5	-179.6	6.3	0	0	112	S790 S795 F796	S790-Q792 PolarHBondContact O-N 2.93Å; S790-Q792 VanDerWaalsContact O-N 3.17Å; S790-Q792 WeakPolarHBondContact OG-CB 3.21Å; S790-Q792 PolarHBondContact OG-N 2.68Å; Q792-S795 PolarHBondContact O-N 3.26Å; Q792-F796 PolarHBondContact O-N 2.95Å
793	Q	94.5	Very high	93.5	Very high	74 Å²	74	73.4 Å²	73.4	35%	0.346	38%	0.381	S	S	.	.	H	α-helix	trans	-62.5	-44.1	177.7	-72.1	79.4	-11.6	0	0	110.9	S784 A788 S790 F796 L797	S784-Q793 WeakPolarHBondContact O-CB 3.42Å; S784-Q793 WeakPolarHBondContact O-CG 3.48Å; A788-Q793 HydrophobicContact CB-CB 3.96Å; A788-Q793 HydrophobicContact CB-CG 3.98Å; S790-Q793 PolarHBondContact O-OE1 3.42Å; Q793-F796 PolarHBondContact O-N 3.27Å; Q793-L797 PolarHBondContact O-N 3.2Å
794	W	96.8	Very high	93.3	Very high	16 Å²	16	72.8 Å²	72.8	6%	0.061	37%	0.372	C	S	.	.	H	α-helix	trans	-60.3	-46.1	174.6	-167.4	95.8	0	0	0	111.6	S791 F796 L797 W798 L817 L825	S791-W794 PolarHBondContact O-N 2.68Å; W794-F796 VanDerWaalsContact C-N 3.31Å; W794-F796 PolarHBondContact O-N 3.35Å; W794-L797 PolarHBondContact O-N 2.66Å; W794-W798 HydrophobicContact CE3-CB 3.97Å; W794-W798 HydrophobicContact CH2-CB 4.23Å; W794-W798 AromaticContact CH2-CD2 3.87Å; W794-W798 HydrophobicContact CH2-CD2 3.87Å; W794-W798 AromaticContact CH2-CE3 3.72Å; W794-W798 HydrophobicContact CH2-CE3 3.72Å; W794-W798 HydrophobicContact CH2-CG 4.07Å; W794-W798 HydrophobicContact CZ2-CE3 4.24Å; W794-W798 HydrophobicContact CZ3-CB 3.69Å; W794-W798 HydrophobicContact CZ3-CD2 4.06Å; W794-W798 HydrophobicContact CZ3-CE3 4.32Å; W794-W798 AromaticContact CZ3-CG 3.75Å; W794-W798 HydrophobicContact CZ3-CG 3.75Å; W794-W798 WeakPolarHBondContact O-CB 3.46Å; W794-W798 PolarHBondContact O-N 2.67Å; W794-L817 HydrophobicContact CD2-CD2 3.71Å; W794-L817 VanDerWaalsContact CE2-CD2 3.5Å; W794-L817 HydrophobicContact CE3-CD2 4.35Å; W794-L817 HydrophobicContact CG-CD2 3.91Å; W794-L817 HydrophobicContact CZ2-CD2 3.96Å; W794-L817 PolarHBondContact NE1-O 2.85Å; W794-L817 WeakPolarHBondContact O-CD2 3.22Å; W794-L825 HydrophobicContact CB-CD1 4.44Å; W794-L825 HydrophobicContact CD2-CD1 3.92Å; W794-L825 HydrophobicContact CD2-CD2 4.19Å; W794-L825 HydrophobicContact CE3-CD1 4.38Å; W794-L825 HydrophobicContact CE3-CD2 4.03Å; W794-L825 HydrophobicContact CG-CD1 3.93Å; W794-L825 HydrophobicContact CH2-CD2 4.08Å; W794-L825 HydrophobicContact CZ2-CB 4.4Å; W794-L825 HydrophobicContact CZ2-CD2 4.19Å; W794-L825 HydrophobicContact CZ3-CD2 3.99Å
795	S	97	Very high	92.9	Very high	62 Å²	62	72.7 Å²	72.7	43%	0.434	37%	0.368	S	S	.	.	H	α-helix	trans	-64.8	-33.4	179.2	-58	0	0	0	0	112.8	S791 Q792 K799	S791-S795 VanDerWaalsContact O-CB 3.31Å; S791-S795 WeakPolarHBondContact O-CB 3.23Å; S791-S795 PolarHBondContact O-N 3.42Å; S791-S795 PolarHBondContact O-OG 2.95Å; Q792-S795 PolarHBondContact O-N 3.26Å; S795-K799 PolarHBondContact O-N 3.38Å
796	F	96	Very high	92.3	Very high	126 Å²	126	73 Å²	73	55%	0.553	37%	0.37	S	S	*	.	H	α-helix	trans	-67.5	-45.4	173.6	174.9	-100.5	0	0	0	112.1	Q792 Q793 W794 W798 K800	Q792-F796 PolarHBondContact O-N 2.95Å; Q793-F796 PolarHBondContact O-N 3.27Å; W794-F796 VanDerWaalsContact C-N 3.31Å; W794-F796 PolarHBondContact O-N 3.35Å; F796-W798 VanDerWaalsContact C-N 3.34Å; F796-K800 HydrophobicContact CD1-CD 4.33Å; F796-K800 HydrophobicContact CE1-CD 3.82Å; F796-K800 HydrophobicContact CZ-CD 4.05Å; F796-K800 WeakPolarHBondContact O-CG 3.2Å; F796-K800 PolarHBondContact O-N 3.34Å; F796-K800 VanDerWaalsContact O-N 3.13Å
797	L	96.3	Very high	91.9	Very high	5 Å²	5	72.2 Å²	72.2	3%	0.026	36%	0.363	C	S	.	.	H	α-helix	trans	-67.4	-34.8	173.8	-64.7	-167.5	0	0	0	112.1	Y781 V785 Q793 W794 K800 F801 L813 L817	Y781-L797 HydrophobicContact CD1-CD2 4.19Å; Y781-L797 HydrophobicContact CG-CD1 4.26Å; Y781-L797 HydrophobicContact CG-CD2 4.39Å; V785-L797 HydrophobicContact CG2-CD1 3.6Å; V785-L797 HydrophobicContact CG2-CG 4.41Å; Q793-L797 PolarHBondContact O-N 3.2Å; W794-L797 PolarHBondContact O-N 2.66Å; L797-K800 HydrophobicContact CD2-CD 4.5Å; L797-K800 WeakPolarHBondContact O-CB 3.36Å; L797-K800 PolarHBondContact O-N 3.22Å; L797-F801 WeakPolarHBondContact O-CB 3.44Å; L797-F801 PolarHBondContact O-N 3.42Å; L797-L813 HydrophobicContact CB-CD2 4.43Å; L797-L813 HydrophobicContact CD2-CD2 3.91Å; L797-L817 HydrophobicContact CB-CD2 3.89Å; L797-L817 HydrophobicContact CB-CG 4.11Å
798	W	97.4	Very high	91.5	Very high	40 Å²	40	66.4 Å²	66.4	15%	0.152	34%	0.336	C	S	.	.	H	α-helix	trans	-63.5	-47	176.9	178.7	-100.7	0	0	0	111	W794 F796 K800 F801 T802 L817 L829 K832 E838 V839	W794-W798 HydrophobicContact CE3-CB 3.97Å; W794-W798 HydrophobicContact CH2-CB 4.23Å; W794-W798 AromaticContact CH2-CD2 3.87Å; W794-W798 HydrophobicContact CH2-CD2 3.87Å; W794-W798 AromaticContact CH2-CE3 3.72Å; W794-W798 HydrophobicContact CH2-CE3 3.72Å; W794-W798 HydrophobicContact CH2-CG 4.07Å; W794-W798 HydrophobicContact CZ2-CE3 4.24Å; W794-W798 HydrophobicContact CZ3-CB 3.69Å; W794-W798 HydrophobicContact CZ3-CD2 4.06Å; W794-W798 HydrophobicContact CZ3-CE3 4.32Å; W794-W798 AromaticContact CZ3-CG 3.75Å; W794-W798 HydrophobicContact CZ3-CG 3.75Å; W794-W798 WeakPolarHBondContact O-CB 3.46Å; W794-W798 PolarHBondContact O-N 2.67Å; F796-W798 VanDerWaalsContact C-N 3.34Å; W798-K800 VanDerWaalsContact C-N 3.33Å; W798-K800 PolarHBondContact O-N 2.88Å; W798-F801 HydrophobicContact CE3-CD1 4.2Å; W798-F801 HydrophobicContact CH2-CD1 4.19Å; W798-F801 HydrophobicContact CH2-CE1 4.18Å; W798-F801 AromaticContact CZ3-CD1 3.87Å; W798-F801 HydrophobicContact CZ3-CD1 3.87Å; W798-F801 HydrophobicContact CZ3-CE1 4.11Å; W798-F801 WeakPolarHBondContact O-CB 3.47Å; W798-F801 PolarHBondContact O-N 3.28Å; W798-T802 HydrophobicContact CZ2-CG2 3.98Å; W798-T802 PolarHBondContact O-N 2.89Å; W798-T802 PolarHBondContact O-OG1 3.29Å; W798-L817 HydrophobicContact CB-CD2 4.06Å; W798-L817 HydrophobicContact CE3-CD1 4.01Å; W798-L829 HydrophobicContact CE3-CD1 4.45Å; W798-L829 HydrophobicContact CZ3-CD1 3.8Å; W798-K832 HydrophobicContact CH2-CD 3.55Å; W798-K832 HydrophobicContact CZ2-CD 3.85Å; W798-K832 HydrophobicContact CZ3-CD 4.35Å; W798-E838 HydrophobicContact CH2-CB 4.25Å; W798-E838 HydrophobicContact CZ2-CB 4.25Å; W798-V839 HydrophobicContact CH2-CG2 3.86Å; W798-V839 HydrophobicContact CZ3-CG2 4.01Å
799	K	96.4	Very high	91.3	Very high	119 Å²	119	66 Å²	66	52%	0.517	33%	0.33	S	S	.	.	H	α-helix	trans	-56.1	-48.9	173.6	-179.8	177.6	173	179.3	0	111	S795 F801 T802 E803	S795-K799 PolarHBondContact O-N 3.38Å; K799-F801 VanDerWaalsContact C-N 3.32Å; K799-F801 PolarHBondContact O-N 3.3Å; K799-T802 WeakPolarHBondContact CA-OG1 3.29Å; K799-T802 PolarHBondContact O-N 3.49Å; K799-T802 PolarHBondContact O-OG1 2.98Å; K799-E803 WeakPolarHBondContact CE-OE1 3.27Å; K799-E803 VanDerWaalsContact CE-OE2 3.27Å; K799-E803 WeakPolarHBondContact CE-OE2 3.38Å; K799-E803 IonicContact NZ-OE1 3.33Å; K799-E803 PolarHBondContact NZ-OE1 2.64Å; K799-E803 WeakPolarHBondContact O-CG 3.37Å; K799-E803 PolarHBondContact O-N 3.22Å; K799-E803 VanDerWaalsContact O-N 3.11Å
800	K	93.9	Very high	91.5	Very high	89 Å²	89	57 Å²	57	39%	0.387	29%	0.288	S	S	.	.	H	α-helix	trans	-57.2	-43.7	176.8	-77.3	-176.9	156.4	-65.9	0	112.5	F796 L797 W798 T802 E803 E804 L813	F796-K800 HydrophobicContact CD1-CD 4.33Å; F796-K800 HydrophobicContact CE1-CD 3.82Å; F796-K800 HydrophobicContact CZ-CD 4.05Å; F796-K800 WeakPolarHBondContact O-CG 3.2Å; F796-K800 PolarHBondContact O-N 3.34Å; F796-K800 VanDerWaalsContact O-N 3.13Å; L797-K800 HydrophobicContact CD2-CD 4.5Å; L797-K800 WeakPolarHBondContact O-CB 3.36Å; L797-K800 PolarHBondContact O-N 3.22Å; W798-K800 VanDerWaalsContact C-N 3.33Å; W798-K800 PolarHBondContact O-N 2.88Å; K800-T802 VanDerWaalsContact C-N 3.35Å; K800-T802 PolarHBondContact O-N 2.89Å; K800-E803 PolarHBondContact O-N 3.42Å; K800-E804 WeakPolarHBondContact O-CB 3.37Å; K800-E804 PolarHBondContact O-N 2.81Å; K800-E804 VanDerWaalsContact O-N 3.09Å; K800-L813 HydrophobicContact CB-CD1 4.08Å; K800-L813 HydrophobicContact CB-CD2 4.08Å
801	F	94.4	Very high	91.5	Very high	8 Å²	8	55.4 Å²	55.4	4%	0.035	27%	0.274	C	S	.	.	H	α-helix	trans	-61.4	-41.7	177.5	170.1	-97.8	0	0	0	112	L797 W798 K799 E803 E804 Q810 L813 L814 L817 E838 V839	L797-F801 WeakPolarHBondContact O-CB 3.44Å; L797-F801 PolarHBondContact O-N 3.42Å; W798-F801 HydrophobicContact CE3-CD1 4.2Å; W798-F801 HydrophobicContact CH2-CD1 4.19Å; W798-F801 HydrophobicContact CH2-CE1 4.18Å; W798-F801 AromaticContact CZ3-CD1 3.87Å; W798-F801 HydrophobicContact CZ3-CD1 3.87Å; W798-F801 HydrophobicContact CZ3-CE1 4.11Å; W798-F801 WeakPolarHBondContact O-CB 3.47Å; W798-F801 PolarHBondContact O-N 3.28Å; K799-F801 VanDerWaalsContact C-N 3.32Å; K799-F801 PolarHBondContact O-N 3.3Å; F801-E803 VanDerWaalsContact C-N 3.26Å; F801-E803 PolarHBondContact O-N 3.1Å; F801-E804 PolarHBondContact O-N 3.35Å; F801-Q810 HydrophobicContact CD2-CB 4.24Å; F801-Q810 HydrophobicContact CD2-CG 4.35Å; F801-Q810 HydrophobicContact CE2-CB 3.98Å; F801-Q810 HydrophobicContact CE2-CG 4.16Å; F801-L813 HydrophobicContact CB-CB 4.19Å; F801-L813 HydrophobicContact CB-CD1 4.3Å; F801-L813 HydrophobicContact CD2-CB 4.44Å; F801-L814 HydrophobicContact CD2-CD1 4.36Å; F801-L814 HydrophobicContact CD2-CD2 3.97Å; F801-L814 HydrophobicContact CD2-CG 3.78Å; F801-L814 HydrophobicContact CE1-CD2 4.29Å; F801-L814 HydrophobicContact CE2-CD1 3.57Å; F801-L814 HydrophobicContact CE2-CD2 3.68Å; F801-L814 HydrophobicContact CE2-CG 3.47Å; F801-L814 VanDerWaalsContact CE2-CG 3.47Å; F801-L814 HydrophobicContact CG-CD2 4.4Å; F801-L814 HydrophobicContact CZ-CD1 4.06Å; F801-L814 HydrophobicContact CZ-CD2 3.86Å; F801-L814 HydrophobicContact CZ-CG 4.12Å; F801-L817 HydrophobicContact CB-CD1 4.03Å; F801-L817 HydrophobicContact CG-CD1 4.3Å; F801-E838 WeakPolarHBondContact CE1-O 3.41Å; F801-V839 HydrophobicContact CE1-CG2 3.81Å; F801-V839 HydrophobicContact CZ-CB 4.43Å; F801-V839 HydrophobicContact CZ-CG1 4.32Å; F801-V839 HydrophobicContact CZ-CG2 4.06Å
802	T	92.1	Very high	91.4	Very high	79 Å²	79	52.4 Å²	52.4	49%	0.485	25%	0.253	S	S	.	.	H	α-helix	trans	-71.4	-16.4	176.5	55.1	0	0	0	0	114.6	W798 K799 K800	W798-T802 HydrophobicContact CZ2-CG2 3.98Å; W798-T802 PolarHBondContact O-N 2.89Å; W798-T802 PolarHBondContact O-OG1 3.29Å; K799-T802 WeakPolarHBondContact CA-OG1 3.29Å; K799-T802 PolarHBondContact O-N 3.49Å; K799-T802 PolarHBondContact O-OG1 2.98Å; K800-T802 VanDerWaalsContact C-N 3.35Å; K800-T802 PolarHBondContact O-N 2.89Å
803	E	91	Very high	91.4	Very high	132 Å²	132	45.6 Å²	45.6	62%	0.617	22%	0.222	S	C	*	.	H	α-helix	trans	-99.7	-8.2	178.3	-69.7	177.7	153.6	0	0	113.2	K799 K800 F801	K799-E803 WeakPolarHBondContact CE-OE1 3.27Å; K799-E803 VanDerWaalsContact CE-OE2 3.27Å; K799-E803 WeakPolarHBondContact CE-OE2 3.38Å; K799-E803 IonicContact NZ-OE1 3.33Å; K799-E803 PolarHBondContact NZ-OE1 2.64Å; K799-E803 WeakPolarHBondContact O-CG 3.37Å; K799-E803 PolarHBondContact O-N 3.22Å; K799-E803 VanDerWaalsContact O-N 3.11Å; K800-E803 PolarHBondContact O-N 3.42Å; F801-E803 VanDerWaalsContact C-N 3.26Å; F801-E803 PolarHBondContact O-N 3.1Å
804	E	88.6	Confident	91.5	Very high	69 Å²	69	42.1 Å²	42.1	32%	0.322	21%	0.205	S	C	.	.			trans	-96.7	138.8	-173.6	-177.1	57.3	-96.6	0	0	112.6	K800 F801 N806 E809 Q810 L813	K800-E804 WeakPolarHBondContact O-CB 3.37Å; K800-E804 PolarHBondContact O-N 2.81Å; K800-E804 VanDerWaalsContact O-N 3.09Å; F801-E804 PolarHBondContact O-N 3.35Å; E804-N806 WeakPolarHBondContact OE1-CB 3.36Å; E804-N806 PolarHBondContact OE1-N 3.31Å; E804-E809 HydrophobicContact CG-CB 3.84Å; E804-E809 HydrophobicContact CG-CG 4.08Å; E804-Q810 HydrophobicContact CB-CG 4.39Å; E804-Q810 HydrophobicContact CG-CG 4.17Å; E804-Q810 PolarHBondContact O-NE2 3.14Å; E804-L813 HydrophobicContact CB-CD1 4.32Å; E804-L813 HydrophobicContact CG-CD1 4.49Å
805	D	84.3	Confident	91.4	Very high	44 Å²	44	43 Å²	43	24%	0.235	21%	0.209	C	C	.	.			trans	-112.7	-21.7	179.4	-171.8	17.4	0	0	0	112.2	R307 I807	R307-D805 IonicContact CZ-OD1 3.42Å; R307-D805 VanDerWaalsContact CZ-OD1 3.29Å; R307-D805 IonicContact CZ-OD2 3.16Å; R307-D805 IonicContact NH1-OD1 2.75Å; R307-D805 PolarHBondContact NH1-OD1 3.43Å; R307-D805 IonicContact NH1-OD2 2.85Å; R307-D805 PolarHBondContact NH1-OD2 3.19Å; R307-D805 PolarHBondContact NH2-O 2.88Å; R307-D805 IonicContact NH2-OD1 3.48Å; R307-D805 PolarHBondContact NH2-OD1 3.05Å; R307-D805 IonicContact NH2-OD2 2.67Å; D805-I807 PolarHBondContact O-N 3.48Å
806	N	84.2	Confident	91.3	Very high	12 Å²	12	40.1 Å²	40.1	6%	0.064	19%	0.188	C	C	.	.			trans	-73.9	114.3	174.3	-163.2	-62.2	0	0	0	111	S374 E804 N808 E809 Q810	S374-N806 WeakPolarHBondContact CB-ND2 3.27Å; S374-N806 PolarHBondContact OG-ND2 3.06Å; S374-N806 VanDerWaalsContact OG-ND2 3.13Å; E804-N806 WeakPolarHBondContact OE1-CB 3.36Å; E804-N806 PolarHBondContact OE1-N 3.31Å; N806-N808 PolarHBondContact O-N 2.87Å; N806-N808 WeakPolarHBondContact OD1-CB 3.07Å; N806-N808 PolarHBondContact OD1-N 2.73Å; N806-N808 PolarHBondContact OD1-ND2 2.94Å; N806-E809 HydrophobicContact CB-CB 4.49Å; N806-E809 PolarHBondContact O-N 2.92Å; N806-Q810 PolarHBondContact O-N 3.07Å
807	I	84.4	Confident	91.3	Very high	0 Å²	0	34.1 Å²	34.1	0%	0	16%	0.162	C	C	.	.	H	α-helix	trans	-61.1	-26.4	-176.1	-173.1	165.3	0	0	0	114.6	M348 E365 M366 D805 E811 F843	M348-I807 VanDerWaalsContact O-CD1 3.31Å; M348-I807 WeakPolarHBondContact O-CD1 3.45Å; E365-I807 HydrophobicContact CB-CG2 3.7Å; M366-I807 HydrophobicContact CB-CG2 4.46Å; M366-I807 HydrophobicContact CG-CB 4.11Å; M366-I807 HydrophobicContact CG-CD1 3.98Å; M366-I807 HydrophobicContact CG-CG1 3.7Å; M366-I807 HydrophobicContact CG-CG2 3.46Å; M366-I807 VanDerWaalsContact CG-CG2 3.46Å; M366-I807 HydrophobicContact SD-CD1 3.99Å; M366-I807 HydrophobicContact SD-CG1 3.85Å; D805-I807 PolarHBondContact O-N 3.48Å; I807-E811 PolarHBondContact O-N 3.24Å; I807-F843 HydrophobicContact CD1-CZ 4.46Å; I807-F843 HydrophobicContact CG1-CE1 4.49Å; I807-F843 HydrophobicContact CG1-CZ 3.97Å
808	N	83.9	Confident	91.3	Very high	9 Å²	9	33.9 Å²	33.9	5%	0.048	16%	0.161	C	C	.	.	H	α-helix	trans	-70.9	-38.4	175.1	-62.8	-79.4	0	0	0	111.9	N806 E811 A812	N806-N808 PolarHBondContact O-N 2.87Å; N806-N808 WeakPolarHBondContact OD1-CB 3.07Å; N806-N808 PolarHBondContact OD1-N 2.73Å; N806-N808 PolarHBondContact OD1-ND2 2.94Å; N808-E811 WeakPolarHBondContact O-CB 3.38Å; N808-E811 PolarHBondContact O-N 2.8Å; N808-A812 PolarHBondContact O-N 2.95Å; N808-A812 VanDerWaalsContact O-N 3.1Å
809	E	86.8	Confident	91.3	Very high	18 Å²	18	32.8 Å²	32.8	8%	0.084	16%	0.159	C	C	.	.	H	α-helix	trans	-76.7	-33.8	176.2	-166.8	75.8	-158.2	0	0	110.5	R777 Y781 E804 N806 E811 A812 L813	R777-E809 IonicContact CZ-OE2 3.35Å; R777-E809 IonicContact NH1-OE1 2.7Å; R777-E809 IonicContact NH1-OE2 3.13Å; R777-E809 PolarHBondContact NH1-OE2 2.99Å; Y781-E809 WeakPolarHBondContact CE2-OE1 3.09Å; Y781-E809 PolarHBondContact OH-OE1 3.06Å; E804-E809 HydrophobicContact CG-CB 3.84Å; E804-E809 HydrophobicContact CG-CG 4.08Å; N806-E809 HydrophobicContact CB-CB 4.49Å; N806-E809 PolarHBondContact O-N 2.92Å; E809-E811 VanDerWaalsContact C-N 3.3Å; E809-E811 PolarHBondContact O-N 2.83Å; E809-A812 PolarHBondContact O-N 3.4Å; E809-L813 HydrophobicContact CG-CD1 4.12Å; E809-L813 HydrophobicContact CG-CG 4.47Å; E809-L813 WeakPolarHBondContact O-CB 3.4Å; E809-L813 WeakPolarHBondContact O-CD1 3.42Å; E809-L813 WeakPolarHBondContact O-CG 3.42Å; E809-L813 PolarHBondContact O-N 3.35Å
810	Q	90	Very high	91.2	Very high	18 Å²	18	27.7 Å²	27.7	8%	0.084	14%	0.138	C	C	.	.	H	α-helix	trans	-55	-44.2	166.5	-70.9	-175.8	-15.8	0	0	111.5	F801 E804 N806 L814 K840 F843	F801-Q810 HydrophobicContact CD2-CB 4.24Å; F801-Q810 HydrophobicContact CD2-CG 4.35Å; F801-Q810 HydrophobicContact CE2-CB 3.98Å; F801-Q810 HydrophobicContact CE2-CG 4.16Å; E804-Q810 HydrophobicContact CB-CG 4.39Å; E804-Q810 HydrophobicContact CG-CG 4.17Å; E804-Q810 PolarHBondContact O-NE2 3.14Å; N806-Q810 PolarHBondContact O-N 3.07Å; Q810-L814 WeakPolarHBondContact O-CB 3.41Å; Q810-L814 VanDerWaalsContact O-CG 3.3Å; Q810-L814 WeakPolarHBondContact O-CG 3.47Å; Q810-L814 PolarHBondContact O-N 3.3Å; Q810-K840 VanDerWaalsContact OE1-NZ 3.07Å; Q810-F843 HydrophobicContact CB-CE2 4.23Å; Q810-F843 HydrophobicContact CB-CZ 3.74Å
811	E	88.6	Confident	91.2	Very high	27 Å²	27	29 Å²	29	13%	0.126	14%	0.144	C	C	.	.	H	α-helix	trans	-61.4	-50.3	175.7	-163.8	-151.3	160.1	0	0	111.8	Y349 M366 I807 N808 E809 L813 L814 R815 F843 L846	Y349-E811 HydrophobicContact CD2-CG 4.39Å; Y349-E811 HydrophobicContact CE2-CG 4.08Å; M366-E811 HydrophobicContact CE-CB 3.76Å; M366-E811 HydrophobicContact CE-CG 3.87Å; M366-E811 WeakPolarHBondContact CE-OE2 3.48Å; I807-E811 PolarHBondContact O-N 3.24Å; N808-E811 WeakPolarHBondContact O-CB 3.38Å; N808-E811 PolarHBondContact O-N 2.8Å; E809-E811 VanDerWaalsContact C-N 3.3Å; E809-E811 PolarHBondContact O-N 2.83Å; E811-L813 VanDerWaalsContact C-N 3.32Å; E811-L813 PolarHBondContact O-N 3.02Å; E811-L814 PolarHBondContact O-N 3.1Å; E811-R815 WeakPolarHBondContact O-CG 3.38Å; E811-R815 PolarHBondContact O-N 2.63Å; E811-R815 IonicContact OE1-CZ 3.99Å; E811-R815 IonicContact OE1-NE 3.45Å; E811-R815 PolarHBondContact OE1-NE 3.22Å; E811-R815 IonicContact OE1-NH2 3.99Å; E811-R815 PolarHBondContact OE1-NH2 2.94Å; E811-F843 HydrophobicContact CB-CE1 4.42Å; E811-L846 HydrophobicContact CB-CD2 4.43Å; E811-L846 HydrophobicContact CG-CD1 4.14Å; E811-L846 HydrophobicContact CG-CD2 3.53Å; E811-L846 HydrophobicContact CG-CG 4.49Å
812	A	89.4	Confident	91.2	Very high	8 Å²	8	31.9 Å²	31.9	7%	0.066	16%	0.16	C	C	.	.	H	α-helix	trans	-60.2	-41.1	179.9	0	0	0	0	0	112.3	P778 Y781 N808 E809 R815 G816	P778-A812 HydrophobicContact CG-CB 4.17Å; Y781-A812 HydrophobicContact CD2-CB 4.32Å; Y781-A812 HydrophobicContact CE2-CB 4.29Å; N808-A812 PolarHBondContact O-N 2.95Å; N808-A812 VanDerWaalsContact O-N 3.1Å; E809-A812 PolarHBondContact O-N 3.4Å; A812-R815 PolarHBondContact O-N 3.1Å; A812-G816 PolarHBondContact O-N 3.48Å; A812-G816 VanDerWaalsContact O-N 3.11Å
813	L	94.4	Very high	91.3	Very high	3 Å²	3	32.1 Å²	32.1	2%	0.016	16%	0.157	C	C	.	.	H	α-helix	trans	-66.9	-41.7	176.7	-69.7	166	0	0	0	111.8	Y781 L797 K800 F801 E804 E809 E811 G816 L817	Y781-L813 HydrophobicContact CD2-CD2 3.96Å; Y781-L813 HydrophobicContact CD2-CG 4.46Å; Y781-L813 HydrophobicContact CE2-CD2 3.71Å; Y781-L813 HydrophobicContact CE2-CG 4.16Å; L797-L813 HydrophobicContact CB-CD2 4.43Å; L797-L813 HydrophobicContact CD2-CD2 3.91Å; K800-L813 HydrophobicContact CB-CD1 4.08Å; K800-L813 HydrophobicContact CB-CD2 4.08Å; F801-L813 HydrophobicContact CB-CB 4.19Å; F801-L813 HydrophobicContact CB-CD1 4.3Å; F801-L813 HydrophobicContact CD2-CB 4.44Å; E804-L813 HydrophobicContact CB-CD1 4.32Å; E804-L813 HydrophobicContact CG-CD1 4.49Å; E809-L813 HydrophobicContact CG-CD1 4.12Å; E809-L813 HydrophobicContact CG-CG 4.47Å; E809-L813 WeakPolarHBondContact O-CB 3.4Å; E809-L813 WeakPolarHBondContact O-CD1 3.42Å; E809-L813 WeakPolarHBondContact O-CG 3.42Å; E809-L813 PolarHBondContact O-N 3.35Å; E811-L813 VanDerWaalsContact C-N 3.32Å; E811-L813 PolarHBondContact O-N 3.02Å; L813-G816 PolarHBondContact O-N 3.39Å; L813-L817 WeakPolarHBondContact O-CB 3.41Å; L813-L817 WeakPolarHBondContact O-CD1 3.32Å; L813-L817 VanDerWaalsContact O-CG 3.27Å; L813-L817 WeakPolarHBondContact O-CG 3.4Å; L813-L817 PolarHBondContact O-N 2.94Å
814	L	95.4	Very high	91.5	Very high	0 Å²	0	32.6 Å²	32.6	0%	0	16%	0.161	C	C	.	.	H	α-helix	trans	-66.5	-36.8	175.6	-73	172.6	0	0	0	112.8	F801 Q810 E811 G816 L817 S818 L829 V839 F843 L846 L847	F801-L814 HydrophobicContact CD2-CD1 4.36Å; F801-L814 HydrophobicContact CD2-CD2 3.97Å; F801-L814 HydrophobicContact CD2-CG 3.78Å; F801-L814 HydrophobicContact CE1-CD2 4.29Å; F801-L814 HydrophobicContact CE2-CD1 3.57Å; F801-L814 HydrophobicContact CE2-CD2 3.68Å; F801-L814 HydrophobicContact CE2-CG 3.47Å; F801-L814 VanDerWaalsContact CE2-CG 3.47Å; F801-L814 HydrophobicContact CG-CD2 4.4Å; F801-L814 HydrophobicContact CZ-CD1 4.06Å; F801-L814 HydrophobicContact CZ-CD2 3.86Å; F801-L814 HydrophobicContact CZ-CG 4.12Å; Q810-L814 WeakPolarHBondContact O-CB 3.41Å; Q810-L814 VanDerWaalsContact O-CG 3.3Å; Q810-L814 WeakPolarHBondContact O-CG 3.47Å; Q810-L814 PolarHBondContact O-N 3.3Å; E811-L814 PolarHBondContact O-N 3.1Å; L814-G816 VanDerWaalsContact C-N 3.31Å; L814-G816 PolarHBondContact O-N 3.17Å; L814-L817 HydrophobicContact CD2-CD1 4.24Å; L814-L817 PolarHBondContact O-N 2.94Å; L814-S818 WeakPolarHBondContact O-CB 3.36Å; L814-S818 PolarHBondContact O-N 2.92Å; L814-S818 PolarHBondContact O-OG 3.37Å; L814-L829 HydrophobicContact CD2-CD1 4.05Å; L814-V839 HydrophobicContact CD1-CG1 4.22Å; L814-V839 HydrophobicContact CD2-CG1 4.31Å; L814-V839 HydrophobicContact CD2-CG2 4.39Å; L814-F843 HydrophobicContact CD1-CB 3.79Å; L814-F843 HydrophobicContact CD1-CD1 3.59Å; L814-F843 HydrophobicContact CD1-CD2 3.49Å; L814-F843 VanDerWaalsContact CD1-CD2 3.49Å; L814-F843 HydrophobicContact CD1-CE1 3.9Å; L814-F843 HydrophobicContact CD1-CE2 3.81Å; L814-F843 HydrophobicContact CD1-CG 3.37Å; L814-F843 HydrophobicContact CD1-CZ 3.99Å; L814-L846 HydrophobicContact CB-CD2 4.21Å; L814-L847 HydrophobicContact CB-CD2 4.35Å; L814-L847 HydrophobicContact CD2-CD2 4.32Å
815	R	94.4	Very high	91.9	Very high	36 Å²	36	30.6 Å²	30.6	14%	0.136	15%	0.152	C	C	.	.	H	α-helix	trans	-57.4	-45.9	170	-72.7	179.6	177.6	-81.5	-4.1	110.7	P778 E811 A812 S818 C819 L846	P778-R815 HydrophobicContact CB-CB 4.45Å; E811-R815 WeakPolarHBondContact O-CG 3.38Å; E811-R815 PolarHBondContact O-N 2.63Å; E811-R815 IonicContact OE1-CZ 3.99Å; E811-R815 IonicContact OE1-NE 3.45Å; E811-R815 PolarHBondContact OE1-NE 3.22Å; E811-R815 IonicContact OE1-NH2 3.99Å; E811-R815 PolarHBondContact OE1-NH2 2.94Å; A812-R815 PolarHBondContact O-N 3.1Å; R815-S818 PolarHBondContact O-N 2.96Å; R815-C819 PolarHBondContact O-SG 3.1Å; R815-C819 VanDerWaalsContact O-SG 3.37Å; R815-L846 HydrophobicContact CG-CD1 4.15Å
816	G	95.2	Very high	92.5	Very high	0 Å²	0	28.5 Å²	28.5	0%	0	14%	0.141	C	C	.	.	H	α-helix	trans	-62.4	-49.5	175.6	0	0	0	0	0	114	V785 A812 L813 L814 S818 C819	V785-G816 WeakPolarHBondContact CB-O 3.5Å; A812-G816 PolarHBondContact O-N 3.48Å; A812-G816 VanDerWaalsContact O-N 3.11Å; L813-G816 PolarHBondContact O-N 3.39Å; L814-G816 VanDerWaalsContact C-N 3.31Å; L814-G816 PolarHBondContact O-N 3.17Å; G816-S818 PolarHBondContact O-N 3.18Å; G816-C819 PolarHBondContact O-N 3.12Å; G816-C819 VanDerWaalsContact O-N 3.09Å
817	L	97.3	Very high	93	Very high	0 Å²	0	29.4 Å²	29.4	0%	0	15%	0.146	C	C	.	.	H	α-helix	trans	-60.4	-27.5	178.5	-72.5	162.5	0	0	0	113.3	W794 L797 W798 F801 L813 L814 C819 L829	W794-L817 HydrophobicContact CD2-CD2 3.71Å; W794-L817 VanDerWaalsContact CE2-CD2 3.5Å; W794-L817 HydrophobicContact CE3-CD2 4.35Å; W794-L817 HydrophobicContact CG-CD2 3.91Å; W794-L817 HydrophobicContact CZ2-CD2 3.96Å; W794-L817 PolarHBondContact NE1-O 2.85Å; W794-L817 WeakPolarHBondContact O-CD2 3.22Å; L797-L817 HydrophobicContact CB-CD2 3.89Å; L797-L817 HydrophobicContact CB-CG 4.11Å; W798-L817 HydrophobicContact CB-CD2 4.06Å; W798-L817 HydrophobicContact CE3-CD1 4.01Å; F801-L817 HydrophobicContact CB-CD1 4.03Å; F801-L817 HydrophobicContact CG-CD1 4.3Å; L813-L817 WeakPolarHBondContact O-CB 3.41Å; L813-L817 WeakPolarHBondContact O-CD1 3.32Å; L813-L817 VanDerWaalsContact O-CG 3.27Å; L813-L817 WeakPolarHBondContact O-CG 3.4Å; L813-L817 PolarHBondContact O-N 2.94Å; L814-L817 HydrophobicContact CD2-CD1 4.24Å; L814-L817 PolarHBondContact O-N 2.94Å; L817-C819 VanDerWaalsContact C-N 3.32Å; L817-L829 HydrophobicContact CB-CD2 4.06Å
818	S	96.3	Very high	93.6	Very high	0 Å²	0	32.5 Å²	32.5	0%	0	16%	0.163	C	C	.	.	T	Hydrogen-bonded Turn	trans	-75.6	-15.6	177.5	-58.6	0	0	0	0	113.8	L814 R815 G816 T820 L826 L847 C850	L814-S818 WeakPolarHBondContact O-CB 3.36Å; L814-S818 PolarHBondContact O-N 2.92Å; L814-S818 PolarHBondContact O-OG 3.37Å; R815-S818 PolarHBondContact O-N 2.96Å; G816-S818 PolarHBondContact O-N 3.18Å; S818-T820 VanDerWaalsContact C-N 3.27Å; S818-T820 PolarHBondContact O-N 3.42Å; S818-L826 WeakPolarHBondContact O-CD2 3.31Å; S818-L847 VanDerWaalsContact OG-CD2 3.32Å; S818-L847 WeakPolarHBondContact OG-CD2 3.21Å; S818-C850 VanDerWaalsContact CB-CB 3.48Å
819	C	95.7	Very high	94.3	Very high	18 Å²	18	32.1 Å²	32.1	12%	0.122	16%	0.161	C	C	.	.	T	Hydrogen-bonded Turn	trans	-84.9	9.3	-177.4	-64.2	0	0	0	0	114.3	C782 A786 R815 G816 L817	C782-C819 VanDerWaalsContact CA-SG 3.6Å; C782-C819 HydrophobicContact CB-CB 3.89Å; C782-C819 WeakPolarHBondContact CB-SG 3.43Å; C782-C819 WeakPolarHBondContact O-CB 3.46Å; C782-C819 WeakPolarHBondContact SG-CB 3.47Å; C782-C819 CovalentContact SG-SG 2.03Å; C782-C819 PolarHBondContact SG-SG 2.94Å; A786-C819 WeakPolarHBondContact CA-O 3.23Å; A786-C819 HydrophobicContact CB-CB 4.4Å; R815-C819 PolarHBondContact O-SG 3.1Å; R815-C819 VanDerWaalsContact O-SG 3.37Å; G816-C819 PolarHBondContact O-N 3.12Å; G816-C819 VanDerWaalsContact O-N 3.09Å; L817-C819 VanDerWaalsContact C-N 3.32Å
820	T	95.5	Very high	94.8	Very high	12 Å²	12	31.3 Å²	31.3	7%	0.074	16%	0.157	C	C	.	.			trans	-70.7	141	179.5	-178.3	0	0	0	0	112.2	S818 D822 L825 L826 H854	S818-T820 VanDerWaalsContact C-N 3.27Å; S818-T820 PolarHBondContact O-N 3.42Å; T820-D822 PolarHBondContact O-N 2.91Å; T820-D822 PolarHBondContact OG1-N 3.22Å; T820-L825 HydrophobicContact CG2-CB 3.88Å; T820-L826 HydrophobicContact CG2-CD2 3.57Å; T820-L826 HydrophobicContact CG2-CG 3.92Å; T820-H854 PolarHBondContact O-CE1 3.35Å; T820-H854 VanDerWaalsContact O-CE1 3.25Å
821	K	93.1	Very high	95.1	Very high	115 Å²	115	33.6 Å²	33.6	50%	0.5	17%	0.169	S	C	.	.	S	Bend	trans	-78.5	-3.2	175	-65.7	167.8	-178.1	156.8	0	112.5	A786 E787 T856	A786-K821 VanDerWaalsContact O-CD 3.31Å; A786-K821 WeakPolarHBondContact O-CD 3.14Å; A786-K821 WeakPolarHBondContact O-CE 3.41Å; A786-K821 PolarHBondContact O-NZ 2.76Å; E787-K821 VanDerWaalsContact CD-NZ 3.28Å; E787-K821 IonicContact OE1-NZ 2.99Å; E787-K821 PolarHBondContact OE1-NZ 2.83Å; E787-K821 IonicContact OE2-NZ 3.29Å; E787-K821 PolarHBondContact OE2-NZ 3.43Å; K821-T856 WeakPolarHBondContact O-CG2 2.96Å
822	D	94.5	Very high	95.5	Very high	70 Å²	70	33.8 Å²	33.8	37%	0.374	17%	0.17	S	C	.	.			trans	-91.5	111.2	179.8	-178.1	-5.1	0	0	0	113.2	T820 M824 L825 L826	T820-D822 PolarHBondContact O-N 2.91Å; T820-D822 PolarHBondContact OG1-N 3.22Å; D822-M824 VanDerWaalsContact C-N 3.25Å; D822-M824 PolarHBondContact O-N 3.44Å; D822-M824 WeakPolarHBondContact OD1-CB 3.34Å; D822-M824 PolarHBondContact OD1-N 3.33Å; D822-L825 HydrophobicContact CB-CB 4.24Å; D822-L825 HydrophobicContact CB-CD1 4.08Å; D822-L825 HydrophobicContact CB-CG 4.22Å; D822-L825 PolarHBondContact O-N 3.07Å; D822-L825 WeakPolarHBondContact OD2-CG 3.47Å; D822-L826 WeakPolarHBondContact O-CG 3.4Å; D822-L826 PolarHBondContact O-N 3.28Å; D822-L826 VanDerWaalsContact O-N 3.15Å
823	I	94.8	Very high	95.7	Very high	83 Å²	83	33.4 Å²	33.4	43%	0.426	17%	0.167	S	C	.	.	H	α-helix	trans	-56	-34.7	177.3	-64.7	173.1	0	0	0	112.8	L826 N827 T856 M860	I823-L826 PolarHBondContact O-N 3.35Å; I823-N827 WeakPolarHBondContact CG2-ND2 3.43Å; I823-N827 PolarHBondContact O-N 3.21Å; I823-N827 PolarHBondContact O-ND2 3.01Å; I823-T856 HydrophobicContact CD1-CG2 4.21Å; I823-T856 HydrophobicContact CG1-CG2 3.4Å; I823-T856 VanDerWaalsContact CG1-CG2 3.4Å; I823-M860 HydrophobicContact CG2-SD 4.04Å
824	M	95.1	Very high	95.7	Very high	143 Å²	143	33.4 Å²	33.4	70%	0.704	17%	0.167	S	C	*	.	H	α-helix	trans	-71.4	-40.9	-178.6	-66	-61.7	-66.6	0	0	111.2	D822 L826 N828	D822-M824 VanDerWaalsContact C-N 3.25Å; D822-M824 PolarHBondContact O-N 3.44Å; D822-M824 WeakPolarHBondContact OD1-CB 3.34Å; D822-M824 PolarHBondContact OD1-N 3.33Å; M824-L826 VanDerWaalsContact C-N 3.35Å; M824-N828 WeakPolarHBondContact O-CB 3.26Å; M824-N828 PolarHBondContact O-N 3.49Å
825	L	95.7	Very high	95.4	Very high	27 Å²	27	34.9 Å²	34.9	14%	0.141	18%	0.177	C	C	.	.	H	α-helix	trans	-64.9	-38.2	173.8	-70.8	176.6	0	0	0	111.7	W794 T820 D822 N828 L829	W794-L825 HydrophobicContact CB-CD1 4.44Å; W794-L825 HydrophobicContact CD2-CD1 3.92Å; W794-L825 HydrophobicContact CD2-CD2 4.19Å; W794-L825 HydrophobicContact CE3-CD1 4.38Å; W794-L825 HydrophobicContact CE3-CD2 4.03Å; W794-L825 HydrophobicContact CG-CD1 3.93Å; W794-L825 HydrophobicContact CH2-CD2 4.08Å; W794-L825 HydrophobicContact CZ2-CB 4.4Å; W794-L825 HydrophobicContact CZ2-CD2 4.19Å; W794-L825 HydrophobicContact CZ3-CD2 3.99Å; T820-L825 HydrophobicContact CG2-CB 3.88Å; D822-L825 HydrophobicContact CB-CB 4.24Å; D822-L825 HydrophobicContact CB-CD1 4.08Å; D822-L825 HydrophobicContact CB-CG 4.22Å; D822-L825 PolarHBondContact O-N 3.07Å; D822-L825 WeakPolarHBondContact OD2-CG 3.47Å; L825-N828 PolarHBondContact O-N 2.99Å; L825-L829 VanDerWaalsContact O-CB 3.29Å; L825-L829 WeakPolarHBondContact O-CB 3.27Å; L825-L829 PolarHBondContact O-N 2.75Å
826	L	96.9	Very high	95.1	Very high	0 Å²	0	34 Å²	34	0%	0	18%	0.175	C	C	.	.	H	α-helix	trans	-65.2	-47	175.2	-62.3	175.6	0	0	0	112.8	S818 T820 D822 I823 M824 N828 L829 L830 I851 T856 M860	S818-L826 WeakPolarHBondContact O-CD2 3.31Å; T820-L826 HydrophobicContact CG2-CD2 3.57Å; T820-L826 HydrophobicContact CG2-CG 3.92Å; D822-L826 WeakPolarHBondContact O-CG 3.4Å; D822-L826 PolarHBondContact O-N 3.28Å; D822-L826 VanDerWaalsContact O-N 3.15Å; I823-L826 PolarHBondContact O-N 3.35Å; M824-L826 VanDerWaalsContact C-N 3.35Å; L826-N828 VanDerWaalsContact C-N 3.31Å; L826-N828 PolarHBondContact O-N 3.07Å; L826-L829 PolarHBondContact O-N 3.02Å; L826-L830 WeakPolarHBondContact O-CG 3.01Å; L826-L830 PolarHBondContact O-N 3.28Å; L826-I851 HydrophobicContact CB-CD1 4.45Å; L826-I851 HydrophobicContact CD2-CD1 4.02Å; L826-I851 HydrophobicContact CD2-CG1 4.04Å; L826-T856 HydrophobicContact CD1-CG2 4Å; L826-M860 HydrophobicContact CB-CE 4.19Å; L826-M860 HydrophobicContact CB-SD 3.57Å; L826-M860 VanDerWaalsContact CB-SD 3.57Å; L826-M860 HydrophobicContact CD1-SD 3.89Å; L826-M860 HydrophobicContact CG-SD 4.4Å
827	N	96.7	Very high	94.5	Very high	30 Å²	30	42.3 Å²	42.3	16%	0.16	21%	0.211	C	C	.	.	H	α-helix	trans	-60.1	-42.5	175.5	-83.9	-98.6	0	0	0	111	I823 D831 M860 R867	I823-N827 WeakPolarHBondContact CG2-ND2 3.43Å; I823-N827 PolarHBondContact O-N 3.21Å; I823-N827 PolarHBondContact O-ND2 3.01Å; N827-D831 WeakPolarHBondContact O-CB 3.29Å; N827-D831 PolarHBondContact O-N 2.94Å; N827-M860 VanDerWaalsContact ND2-CE 3.28Å; N827-M860 WeakPolarHBondContact ND2-CE 3.45Å; N827-M860 PolarHBondContact ND2-SD 3.38Å; N827-M860 VanDerWaalsContact ND2-SD 3.43Å; N827-R867 PolarHBondContact OD1-NH2 3.12Å
828	N	96.2	Very high	94	Very high	66 Å²	66	46.8 Å²	46.8	35%	0.353	23%	0.232	S	C	.	.	H	α-helix	trans	-65.2	-41.7	178.2	-176	37.6	0	0	0	112.3	M824 L825 L826 D831 K832	M824-N828 WeakPolarHBondContact O-CB 3.26Å; M824-N828 PolarHBondContact O-N 3.49Å; L825-N828 PolarHBondContact O-N 2.99Å; L826-N828 VanDerWaalsContact C-N 3.31Å; L826-N828 PolarHBondContact O-N 3.07Å; N828-D831 PolarHBondContact O-N 2.88Å; N828-K832 WeakPolarHBondContact O-CB 3.26Å; N828-K832 VanDerWaalsContact O-CG 3.28Å; N828-K832 WeakPolarHBondContact O-CG 3.35Å; N828-K832 PolarHBondContact O-N 2.74Å; N828-K832 VanDerWaalsContact OD1-CE 3.22Å; N828-K832 WeakPolarHBondContact OD1-CE 3.43Å
829	L	97.5	Very high	93.7	Very high	1 Å²	1	46.8 Å²	46.8	1%	0.005	23%	0.232	C	C	.	.	H	α-helix	trans	-64.7	-43.1	177.7	-174.6	61.4	0	0	0	111.8	W798 L814 L817 L825 L826 A833 V839 L847	W798-L829 HydrophobicContact CE3-CD1 4.45Å; W798-L829 HydrophobicContact CZ3-CD1 3.8Å; L814-L829 HydrophobicContact CD2-CD1 4.05Å; L817-L829 HydrophobicContact CB-CD2 4.06Å; L825-L829 VanDerWaalsContact O-CB 3.29Å; L825-L829 WeakPolarHBondContact O-CB 3.27Å; L825-L829 PolarHBondContact O-N 2.75Å; L826-L829 PolarHBondContact O-N 3.02Å; L829-A833 PolarHBondContact O-N 3.4Å; L829-V839 HydrophobicContact CD1-CG2 4.19Å; L829-L847 HydrophobicContact CD2-CD2 3.73Å; L829-L847 HydrophobicContact CG-CD1 4.07Å; L829-L847 HydrophobicContact CG-CD2 3.91Å
830	L	97.9	Very high	93.4	Very high	0 Å²	0	47.2 Å²	47.2	0%	0	23%	0.232	C	C	.	.	H	α-helix	trans	-67.8	-39	175.1	-72.6	168.8	0	0	0	112.7	L826 A833 L834 L847 Y848 I851 M860 L861 F864	L826-L830 WeakPolarHBondContact O-CG 3.01Å; L826-L830 PolarHBondContact O-N 3.28Å; L830-A833 PolarHBondContact O-N 3.39Å; L830-L834 PolarHBondContact O-N 3.46Å; L830-L847 HydrophobicContact CD2-CB 3.65Å; L830-L847 HydrophobicContact CD2-CD1 4.23Å; L830-Y848 HydrophobicContact CD2-CD2 3.74Å; L830-Y848 HydrophobicContact CD2-CE2 3.81Å; L830-I851 HydrophobicContact CD1-CD1 3.78Å; L830-I851 HydrophobicContact CD2-CD1 3.99Å; L830-I851 HydrophobicContact CG-CD1 3.74Å; L830-M860 HydrophobicContact CD1-CE 3.87Å; L830-L861 HydrophobicContact CD1-CD1 3.95Å; L830-F864 HydrophobicContact CB-CD1 4.32Å; L830-F864 HydrophobicContact CB-CD2 4.36Å; L830-F864 HydrophobicContact CB-CE1 3.7Å; L830-F864 HydrophobicContact CB-CE2 3.73Å; L830-F864 HydrophobicContact CB-CZ 3.38Å; L830-F864 HydrophobicContact CD1-CD1 3.91Å; L830-F864 HydrophobicContact CD1-CD2 4.3Å; L830-F864 HydrophobicContact CD1-CE1 4.13Å; L830-F864 HydrophobicContact CD1-CE2 4.49Å; L830-F864 HydrophobicContact CD1-CG 4.02Å; L830-F864 HydrophobicContact CD1-CZ 4.42Å; L830-F864 HydrophobicContact CG-CE1 4.39Å; L830-F864 HydrophobicContact CG-CZ 4.47Å
831	D	97	Very high	93.1	Very high	66 Å²	66	46.7 Å²	46.7	35%	0.353	23%	0.228	S	C	.	.	H	α-helix	trans	-66.4	-41.4	176.2	-173.1	54.7	0	0	0	112.2	N827 N828 A833 L834 S835 R871	N827-D831 WeakPolarHBondContact O-CB 3.29Å; N827-D831 PolarHBondContact O-N 2.94Å; N828-D831 PolarHBondContact O-N 2.88Å; D831-A833 VanDerWaalsContact C-N 3.28Å; D831-A833 PolarHBondContact O-N 3.03Å; D831-L834 CarbonylContact O-C 3.56Å; D831-L834 PolarHBondContact O-N 3.49Å; D831-S835 WeakPolarHBondContact O-CB 3.48Å; D831-S835 PolarHBondContact O-N 2.99Å; D831-R871 IonicContact OD1-CZ 2.69Å; D831-R871 IonicContact OD1-NH1 3.74Å; D831-R871 PolarHBondContact OD1-NH1 2.77Å; D831-R871 IonicContact OD1-NH2 3.93Å; D831-R871 PolarHBondContact OD1-NH2 2.87Å
832	K	96.3	Very high	92.9	Very high	31 Å²	31	41.6 Å²	41.6	14%	0.135	21%	0.207	C	C	.	.	H	α-helix	trans	-57.3	-40.8	173.2	-75.7	175.1	-169.1	-72.6	0	111.7	W798 N828 S835 D836 E838 V839	W798-K832 HydrophobicContact CH2-CD 3.55Å; W798-K832 HydrophobicContact CZ2-CD 3.85Å; W798-K832 HydrophobicContact CZ3-CD 4.35Å; N828-K832 WeakPolarHBondContact O-CB 3.26Å; N828-K832 VanDerWaalsContact O-CG 3.28Å; N828-K832 WeakPolarHBondContact O-CG 3.35Å; N828-K832 PolarHBondContact O-N 2.74Å; N828-K832 VanDerWaalsContact OD1-CE 3.22Å; N828-K832 WeakPolarHBondContact OD1-CE 3.43Å; K832-S835 WeakPolarHBondContact O-CB 3.17Å; K832-S835 PolarHBondContact O-N 2.68Å; K832-S835 PolarHBondContact O-OG 2.8Å; K832-D836 PolarHBondContact O-N 2.91Å; K832-E838 HydrophobicContact CB-CB 4.48Å; K832-E838 HydrophobicContact CD-CB 4.32Å; K832-E838 HydrophobicContact CG-CB 4.43Å; K832-E838 IonicContact NZ-OE1 2.68Å; K832-E838 PolarHBondContact NZ-OE1 3.24Å; K832-E838 IonicContact NZ-OE2 3.49Å; K832-E838 PolarHBondContact NZ-OE2 3.06Å; K832-V839 HydrophobicContact CB-CB 4.43Å; K832-V839 HydrophobicContact CB-CG2 4.01Å
833	A	94.5	Very high	92.8	Very high	0 Å²	0	38.2 Å²	38.2	0%	0	19%	0.189	C	C	.	.	H	α-helix	trans	-66.5	-47.6	174.7	0	0	0	0	0	112.4	L829 L830 D831 S835 D836 V839 L841 L847	L829-A833 PolarHBondContact O-N 3.4Å; L830-A833 PolarHBondContact O-N 3.39Å; D831-A833 VanDerWaalsContact C-N 3.28Å; D831-A833 PolarHBondContact O-N 3.03Å; A833-S835 PolarHBondContact O-N 3.22Å; A833-S835 VanDerWaalsContact O-N 3.12Å; A833-D836 PolarHBondContact O-N 2.94Å; A833-V839 HydrophobicContact CB-CB 4.12Å; A833-V839 HydrophobicContact CB-CG1 3.87Å; A833-L841 WeakPolarHBondContact O-CA 3.45Å; A833-L841 WeakPolarHBondContact O-CD1 3.24Å; A833-L847 HydrophobicContact CB-CD1 3.61Å
834	L	93.9	Very high	92.8	Very high	4 Å²	4	34.3 Å²	34.3	2%	0.021	17%	0.169	C	C	.	.	H	α-helix	trans	-64.4	-14.3	174.2	-70.3	-173.2	0	0	0	114	L830 D831 L841 T844 F864 N868 I872 N875 F876	L830-L834 PolarHBondContact O-N 3.46Å; D831-L834 CarbonylContact O-C 3.56Å; D831-L834 PolarHBondContact O-N 3.49Å; L834-L841 HydrophobicContact CD2-CD1 4.34Å; L834-T844 HydrophobicContact CD2-CG2 3.89Å; L834-T844 HydrophobicContact CG-CG2 4.43Å; L834-F864 HydrophobicContact CD1-CE1 3.76Å; L834-F864 HydrophobicContact CD1-CZ 3.73Å; L834-F864 HydrophobicContact CG-CZ 4.47Å; L834-N868 HydrophobicContact CD1-CB 3.86Å; L834-I872 HydrophobicContact CD1-CG1 4.01Å; L834-I872 HydrophobicContact CD2-CG1 4.05Å; L834-N875 PolarHBondContact O-ND2 2.97Å; L834-F876 HydrophobicContact CD2-CE2 4Å
835	S	89.9	Confident	92.6	Very high	30 Å²	30	27.7 Å²	27.7	21%	0.21	14%	0.137	C	C	.	.	H	α-helix	trans	-84.7	-21.3	176.8	84.1	0	0	0	0	114.4	D831 K832 A833 K837	D831-S835 WeakPolarHBondContact O-CB 3.48Å; D831-S835 PolarHBondContact O-N 2.99Å; K832-S835 WeakPolarHBondContact O-CB 3.17Å; K832-S835 PolarHBondContact O-N 2.68Å; K832-S835 PolarHBondContact O-OG 2.8Å; A833-S835 PolarHBondContact O-N 3.22Å; A833-S835 VanDerWaalsContact O-N 3.12Å; S835-K837 VanDerWaalsContact C-N 3.28Å; S835-K837 PolarHBondContact O-N 2.86Å; S835-K837 PolarHBondContact OG-N 3.19Å
836	D	86.8	Confident	92.5	Very high	17 Å²	17	26.4 Å²	26.4	9%	0.091	13%	0.13	C	C	.	.	T	Hydrogen-bonded Turn	trans	59.4	30.4	-175	-159.6	39.3	0	0	0	114.2	R228 K832 A833 L841	R228-D836 IonicContact CZ-OD2 3.43Å; R228-D836 IonicContact NE-OD2 2.72Å; R228-D836 IonicContact NH2-OD2 2.77Å; R228-D836 PolarHBondContact NH2-OD2 3.36Å; K832-D836 PolarHBondContact O-N 2.91Å; A833-D836 PolarHBondContact O-N 2.94Å; D836-L841 HydrophobicContact CB-CB 3.97Å; D836-L841 VanDerWaalsContact OD1-CB 3.25Å; D836-L841 WeakPolarHBondContact OD1-CB 3.39Å; D836-L841 PolarHBondContact OD1-N 3.35Å
837	K	82.4	Confident	92.4	Very high	175 Å²	175	26.4 Å²	26.4	76%	0.761	13%	0.13	S	C	*	.	S	Bend	trans	-111.4	-62.4	-176.7	-63.4	-179.8	-176.9	178.1	0	114.4	S835	S835-K837 VanDerWaalsContact C-N 3.28Å; S835-K837 PolarHBondContact O-N 2.86Å; S835-K837 PolarHBondContact OG-N 3.19Å
838	E	87.7	Confident	92.5	Very high	94 Å²	94	25 Å²	25	44%	0.439	12%	0.122	S	C	.	.	S	Bend	trans	-100.2	-32	-175.2	-67.6	168.9	-96.7	0	0	111.7	W798 F801 K832	W798-E838 HydrophobicContact CH2-CB 4.25Å; W798-E838 HydrophobicContact CZ2-CB 4.25Å; F801-E838 WeakPolarHBondContact CE1-O 3.41Å; K832-E838 HydrophobicContact CB-CB 4.48Å; K832-E838 HydrophobicContact CD-CB 4.32Å; K832-E838 HydrophobicContact CG-CB 4.43Å; K832-E838 IonicContact NZ-OE1 2.68Å; K832-E838 PolarHBondContact NZ-OE1 3.24Å; K832-E838 IonicContact NZ-OE2 3.49Å; K832-E838 PolarHBondContact NZ-OE2 3.06Å
839	V	90.7	Very high	92.3	Very high	0 Å²	0	22.5 Å²	22.5	0%	0	11%	0.109	C	C	.	.	S	Bend	trans	-117.4	127.8	169.4	-178.7	0	0	0	0	106.5	W798 F801 L814 L829 K832 A833 L841 F843	W798-V839 HydrophobicContact CH2-CG2 3.86Å; W798-V839 HydrophobicContact CZ3-CG2 4.01Å; F801-V839 HydrophobicContact CE1-CG2 3.81Å; F801-V839 HydrophobicContact CZ-CB 4.43Å; F801-V839 HydrophobicContact CZ-CG1 4.32Å; F801-V839 HydrophobicContact CZ-CG2 4.06Å; L814-V839 HydrophobicContact CD1-CG1 4.22Å; L814-V839 HydrophobicContact CD2-CG1 4.31Å; L814-V839 HydrophobicContact CD2-CG2 4.39Å; L829-V839 HydrophobicContact CD1-CG2 4.19Å; K832-V839 HydrophobicContact CB-CB 4.43Å; K832-V839 HydrophobicContact CB-CG2 4.01Å; A833-V839 HydrophobicContact CB-CB 4.12Å; A833-V839 HydrophobicContact CB-CG1 3.87Å; V839-L841 PolarHBondContact O-N 3.45Å; V839-F843 HydrophobicContact CG1-CB 3.94Å; V839-F843 HydrophobicContact CG1-CD2 4.13Å; V839-F843 HydrophobicContact CG1-CG 4.48Å
840	K	87.6	Confident	92.2	Very high	28 Å²	28	23.1 Å²	23.1	12%	0.122	11%	0.113	C	C	.	.			trans	-57.6	134.6	177.1	-61.5	170.4	-178.5	162.4	0	109.5	P347 Q810 T842 F843	P347-K840 WeakPolarHBondContact O-CE 3.48Å; P347-K840 PolarHBondContact O-NZ 3.42Å; Q810-K840 VanDerWaalsContact OE1-NZ 3.07Å; K840-T842 PolarHBondContact O-N 2.73Å; K840-F843 HydrophobicContact CB-CD2 3.97Å; K840-F843 HydrophobicContact CB-CE2 4.37Å; K840-F843 HydrophobicContact CD-CE2 4.12Å; K840-F843 PolarHBondContact O-N 3.08Å
841	L	89.5	Confident	92.1	Very high	0 Å²	0	23.1 Å²	23.1	0%	0	11%	0.113	C	C	.	.	G	3₁₀ helix	trans	-52.3	-33.5	-179.3	-179.1	61.6	0	0	0	113.3	R220 H221 A833 L834 D836 V839 F843 T844 N875 F876	R220-L841 HydrophobicContact CB-CD2 3.81Å; H221-L841 HydrophobicContact CB-CD2 3.87Å; H221-L841 HydrophobicContact CB-CG 4.38Å; A833-L841 WeakPolarHBondContact O-CA 3.45Å; A833-L841 WeakPolarHBondContact O-CD1 3.24Å; L834-L841 HydrophobicContact CD2-CD1 4.34Å; D836-L841 HydrophobicContact CB-CB 3.97Å; D836-L841 VanDerWaalsContact OD1-CB 3.25Å; D836-L841 WeakPolarHBondContact OD1-CB 3.39Å; D836-L841 PolarHBondContact OD1-N 3.35Å; V839-L841 PolarHBondContact O-N 3.45Å; L841-F843 PolarHBondContact O-N 3.11Å; L841-F843 VanDerWaalsContact O-N 3.15Å; L841-T844 WeakPolarHBondContact O-CB 3.11Å; L841-T844 PolarHBondContact O-N 3.34Å; L841-T844 PolarHBondContact O-OG1 3.01Å; L841-N875 HydrophobicContact CD1-CB 4.06Å; L841-N875 WeakPolarHBondContact CD1-ND2 3.17Å; L841-N875 HydrophobicContact CD2-CB 3.9Å; L841-N875 HydrophobicContact CG-CB 4.49Å; L841-F876 HydrophobicContact CD1-CE2 3.64Å; L841-F876 HydrophobicContact CD1-CZ 3.65Å; L841-F876 HydrophobicContact CG-CE2 4.25Å; L841-F876 HydrophobicContact CG-CZ 3.89Å
842	T	88.6	Confident	92	Very high	8 Å²	8	20 Å²	20	5%	0.049	10%	0.096	C	C	.	.	G	3₁₀ helix	trans	-58.6	-21.6	177.1	60.4	0	0	0	0	115.3	P222 M348 Y349 K840 P845	P222-T842 HydrophobicContact CG-CG2 4.31Å; M348-T842 HydrophobicContact CB-CG2 4.15Å; Y349-T842 WeakPolarHBondContact CD1-O 3.36Å; Y349-T842 PolarHBondContact N-OG1 3.35Å; Y349-T842 VanDerWaalsContact N-OG1 3.16Å; Y349-T842 WeakPolarHBondContact O-CB 3.5Å; K840-T842 PolarHBondContact O-N 2.73Å; T842-P845 WeakPolarHBondContact O-CD 3.46Å
843	F	92.4	Very high	91.7	Very high	0 Å²	0	20.1 Å²	20.1	0%	0	10%	0.098	C	C	.	.	G	3₁₀ helix	trans	-81.3	-8.3	175.8	-74.3	-63	0	0	0	114	Y349 I807 Q810 E811 L814 V839 K840 L841 L846 L847	Y349-F843 AromaticContact CD2-CD1 3.96Å; Y349-F843 HydrophobicContact CD2-CD1 3.96Å; Y349-F843 AromaticContact CD2-CE1 3.96Å; Y349-F843 HydrophobicContact CD2-CE1 3.96Å; Y349-F843 AromaticContact CG-CD1 3.86Å; Y349-F843 HydrophobicContact CG-CD1 3.86Å; Y349-F843 HydrophobicContact CG-CE1 4.17Å; I807-F843 HydrophobicContact CD1-CZ 4.46Å; I807-F843 HydrophobicContact CG1-CE1 4.49Å; I807-F843 HydrophobicContact CG1-CZ 3.97Å; Q810-F843 HydrophobicContact CB-CE2 4.23Å; Q810-F843 HydrophobicContact CB-CZ 3.74Å; E811-F843 HydrophobicContact CB-CE1 4.42Å; L814-F843 HydrophobicContact CD1-CB 3.79Å; L814-F843 HydrophobicContact CD1-CD1 3.59Å; L814-F843 HydrophobicContact CD1-CD2 3.49Å; L814-F843 VanDerWaalsContact CD1-CD2 3.49Å; L814-F843 HydrophobicContact CD1-CE1 3.9Å; L814-F843 HydrophobicContact CD1-CE2 3.81Å; L814-F843 HydrophobicContact CD1-CG 3.37Å; L814-F843 HydrophobicContact CD1-CZ 3.99Å; V839-F843 HydrophobicContact CG1-CB 3.94Å; V839-F843 HydrophobicContact CG1-CD2 4.13Å; V839-F843 HydrophobicContact CG1-CG 4.48Å; K840-F843 HydrophobicContact CB-CD2 3.97Å; K840-F843 HydrophobicContact CB-CE2 4.37Å; K840-F843 HydrophobicContact CD-CE2 4.12Å; K840-F843 PolarHBondContact O-N 3.08Å; L841-F843 PolarHBondContact O-N 3.11Å; L841-F843 VanDerWaalsContact O-N 3.15Å; F843-L846 HydrophobicContact CD1-CD2 3.75Å; F843-L846 HydrophobicContact CE1-CD2 4.26Å; F843-L846 WeakPolarHBondContact O-CB 3.36Å; F843-L846 PolarHBondContact O-N 2.97Å; F843-L847 PolarHBondContact O-N 2.83Å; F843-L847 VanDerWaalsContact O-N 3.08Å
844	T	94.8	Very high	91.3	Very high	0 Å²	0	21.5 Å²	21.5	0%	0	11%	0.105	C	C	.	.	H	α-helix	trans	-54.7	-43	-177	-45.3	0	0	0	0	113.4	L834 L841 L846 L847 Y848 F876 M885	L834-T844 HydrophobicContact CD2-CG2 3.89Å; L834-T844 HydrophobicContact CG-CG2 4.43Å; L841-T844 WeakPolarHBondContact O-CB 3.11Å; L841-T844 PolarHBondContact O-N 3.34Å; L841-T844 PolarHBondContact O-OG1 3.01Å; T844-L846 VanDerWaalsContact C-N 3.34Å; T844-L846 PolarHBondContact O-N 3.1Å; T844-L847 PolarHBondContact O-N 3.35Å; T844-Y848 HydrophobicContact CG2-CD2 3.95Å; T844-Y848 HydrophobicContact CG2-CE2 3.79Å; T844-Y848 WeakPolarHBondContact O-CD2 3.31Å; T844-Y848 PolarHBondContact O-N 2.9Å; T844-F876 HydrophobicContact CG2-CE2 4.47Å; T844-F876 HydrophobicContact CG2-CZ 4.37Å; T844-M885 HydrophobicContact CG2-SD 3.66Å
845	P	92.4	Very high	91	Very high	5 Å²	5	24 Å²	24	3%	0.032	12%	0.121	C	C	.	.	H	α-helix	trans	-65.8	-31.6	177.2	-21.7	34.8	0	0	0	114.1	T842 Y848 Q849 F876 E881 M885	T842-P845 WeakPolarHBondContact O-CD 3.46Å; P845-Y848 PolarHBondContact O-N 2.69Å; P845-Q849 PolarHBondContact O-N 3.31Å; P845-F876 HydrophobicContact CG-CE1 4.35Å; P845-E881 HydrophobicContact CG-CB 3.69Å; P845-E881 HydrophobicContact CG-CG 3.77Å; P845-M885 HydrophobicContact CB-CG 4.22Å; P845-M885 HydrophobicContact CG-CG 4.27Å; P845-M885 HydrophobicContact CG-SD 4.33Å
846	L	92.5	Very high	91.1	Very high	0 Å²	0	24.2 Å²	24.2	0%	0	12%	0.121	C	C	.	.	H	α-helix	trans	-65.7	-43.3	173	173.2	72.6	0	0	0	110.8	Y349 E811 L814 R815 F843 T844 Q849 C850	Y349-L846 HydrophobicContact CD1-CB 4.47Å; Y349-L846 HydrophobicContact CE1-CB 4Å; Y349-L846 HydrophobicContact CE2-CB 4.29Å; Y349-L846 HydrophobicContact CE2-CD1 4.28Å; Y349-L846 HydrophobicContact CE2-CD2 4.31Å; E811-L846 HydrophobicContact CB-CD2 4.43Å; E811-L846 HydrophobicContact CG-CD1 4.14Å; E811-L846 HydrophobicContact CG-CD2 3.53Å; E811-L846 HydrophobicContact CG-CG 4.49Å; L814-L846 HydrophobicContact CB-CD2 4.21Å; R815-L846 HydrophobicContact CG-CD1 4.15Å; F843-L846 HydrophobicContact CD1-CD2 3.75Å; F843-L846 HydrophobicContact CE1-CD2 4.26Å; F843-L846 WeakPolarHBondContact O-CB 3.36Å; F843-L846 PolarHBondContact O-N 2.97Å; T844-L846 VanDerWaalsContact C-N 3.34Å; T844-L846 PolarHBondContact O-N 3.1Å; L846-Q849 WeakPolarHBondContact O-CB 3.22Å; L846-Q849 PolarHBondContact O-N 3.37Å; L846-C850 PolarHBondContact O-N 2.84Å; L846-C850 PolarHBondContact O-SG 2.93Å
847	L	96.4	Very high	91.4	Very high	0 Å²	0	23.4 Å²	23.4	0%	0	12%	0.117	C	C	.	.	H	α-helix	trans	-62.8	-44.6	176.3	-64.7	177.5	0	0	0	110.9	L814 S818 L829 L830 A833 F843 T844 Q849 C850 I851	L814-L847 HydrophobicContact CB-CD2 4.35Å; L814-L847 HydrophobicContact CD2-CD2 4.32Å; S818-L847 VanDerWaalsContact OG-CD2 3.32Å; S818-L847 WeakPolarHBondContact OG-CD2 3.21Å; L829-L847 HydrophobicContact CD2-CD2 3.73Å; L829-L847 HydrophobicContact CG-CD1 4.07Å; L829-L847 HydrophobicContact CG-CD2 3.91Å; L830-L847 HydrophobicContact CD2-CB 3.65Å; L830-L847 HydrophobicContact CD2-CD1 4.23Å; A833-L847 HydrophobicContact CB-CD1 3.61Å; F843-L847 PolarHBondContact O-N 2.83Å; F843-L847 VanDerWaalsContact O-N 3.08Å; T844-L847 PolarHBondContact O-N 3.35Å; L847-Q849 PolarHBondContact O-N 3.44Å; L847-C850 PolarHBondContact O-N 3.28Å; L847-I851 HydrophobicContact CB-CD1 4.42Å; L847-I851 VanDerWaalsContact O-CB 3.23Å; L847-I851 WeakPolarHBondContact O-CB 3.23Å; L847-I851 WeakPolarHBondContact O-CG1 3.13Å; L847-I851 PolarHBondContact O-N 3.47Å
848	Y	96.9	Very high	91.9	Very high	0 Å²	0	16.5 Å²	16.5	0%	0	9%	0.086	C	C	.	.	H	α-helix	trans	-57.1	-46.2	173.8	-90.8	-116.8	0	0	0	112.1	L830 T844 P845 S852 L861 F864 T865 I872 M885 A889	L830-Y848 HydrophobicContact CD2-CD2 3.74Å; L830-Y848 HydrophobicContact CD2-CE2 3.81Å; T844-Y848 HydrophobicContact CG2-CD2 3.95Å; T844-Y848 HydrophobicContact CG2-CE2 3.79Å; T844-Y848 WeakPolarHBondContact O-CD2 3.31Å; T844-Y848 PolarHBondContact O-N 2.9Å; P845-Y848 PolarHBondContact O-N 2.69Å; Y848-S852 WeakPolarHBondContact O-CB 3.39Å; Y848-S852 PolarHBondContact O-N 2.94Å; Y848-S852 PolarHBondContact O-OG 2.91Å; Y848-L861 HydrophobicContact CD1-CD1 3.79Å; Y848-L861 HydrophobicContact CD1-CD2 3.95Å; Y848-L861 HydrophobicContact CD1-CG 4.01Å; Y848-L861 HydrophobicContact CD2-CD1 4.19Å; Y848-L861 HydrophobicContact CE1-CD1 3.83Å; Y848-L861 HydrophobicContact CE1-CG 4.16Å; Y848-L861 HydrophobicContact CE2-CD1 4.22Å; Y848-L861 HydrophobicContact CG-CD1 4Å; Y848-L861 HydrophobicContact CG-CD2 4.32Å; Y848-F864 HydrophobicContact CE2-CE1 4.47Å; Y848-T865 HydrophobicContact CE1-CG2 4.36Å; Y848-T865 VanDerWaalsContact CE1-OG1 3.24Å; Y848-T865 WeakPolarHBondContact CE1-OG1 3.07Å; Y848-T865 PolarHBondContact OH-OG1 3.37Å; Y848-I872 VanDerWaalsContact OH-CD1 3.31Å; Y848-I872 WeakPolarHBondContact OH-CD1 3.25Å; Y848-M885 HydrophobicContact CD1-CB 3.6Å; Y848-M885 HydrophobicContact CD1-CG 3.83Å; Y848-M885 VanDerWaalsContact CD1-O 3.3Å; Y848-M885 WeakPolarHBondContact CD1-O 3.23Å; Y848-M885 HydrophobicContact CD2-CG 3.99Å; Y848-M885 HydrophobicContact CD2-SD 4Å; Y848-M885 HydrophobicContact CE1-CB 3.78Å; Y848-M885 HydrophobicContact CE1-CG 4.2Å; Y848-M885 HydrophobicContact CE2-CG 4.35Å; Y848-M885 HydrophobicContact CE2-SD 3.95Å; Y848-M885 HydrophobicContact CG-CB 4.04Å; Y848-M885 HydrophobicContact CG-CG 3.7Å; Y848-M885 HydrophobicContact CG-SD 4.33Å; Y848-A889 HydrophobicContact CD1-CB 4.47Å; Y848-A889 HydrophobicContact CE1-CB 4.25Å
849	Q	93.9	Very high	92	Very high	14 Å²	14	16.1 Å²	16.1	7%	0.065	10%	0.099	C	C	.	.	H	α-helix	trans	-55.5	-55.9	175.4	-173	-179.3	25	0	0	110.9	D4 P845 L846 L847 I851 S852 N853 Y888	D4-Q849 PolarHBondContact O-NE2 3.41Å; P845-Q849 PolarHBondContact O-N 3.31Å; L846-Q849 WeakPolarHBondContact O-CB 3.22Å; L846-Q849 PolarHBondContact O-N 3.37Å; L847-Q849 PolarHBondContact O-N 3.44Å; Q849-I851 PolarHBondContact O-N 3.03Å; Q849-S852 PolarHBondContact O-N 2.82Å; Q849-S852 PolarHBondContact O-OG 3Å; Q849-N853 PolarHBondContact O-OD1 3.12Å; Q849-Y888 HydrophobicContact CB-CD1 4.36Å; Q849-Y888 HydrophobicContact CB-CD2 4Å; Q849-Y888 HydrophobicContact CB-CE1 4Å; Q849-Y888 HydrophobicContact CB-CE2 3.59Å; Q849-Y888 HydrophobicContact CB-CG 4.39Å; Q849-Y888 HydrophobicContact CG-CD1 4.46Å; Q849-Y888 HydrophobicContact CG-CE1 3.77Å; Q849-Y888 HydrophobicContact CG-CE2 4.13Å
850	C	94.9	Very high	92.2	Very high	13 Å²	13	16.6 Å²	16.6	9%	0.088	10%	0.101	C	C	.	.	H	α-helix	trans	-65.3	-39.5	-175	-60	0	0	0	0	112.6	S818 L846 L847 N853	S818-C850 VanDerWaalsContact CB-CB 3.48Å; L846-C850 PolarHBondContact O-N 2.84Å; L846-C850 PolarHBondContact O-SG 2.93Å; L847-C850 PolarHBondContact O-N 3.28Å; C850-N853 WeakPolarHBondContact O-CB 3.24Å; C850-N853 PolarHBondContact O-N 2.91Å
851	I	96.3	Very high	92.6	Very high	0 Å²	0	15.3 Å²	15.3	0%	0	10%	0.096	C	C	.	.	H	α-helix	trans	-72.7	-31.2	180	-65.8	175.4	0	0	0	111	L826 L830 L847 Q849 N853 H854 G857 L861	L826-I851 HydrophobicContact CB-CD1 4.45Å; L826-I851 HydrophobicContact CD2-CD1 4.02Å; L826-I851 HydrophobicContact CD2-CG1 4.04Å; L830-I851 HydrophobicContact CD1-CD1 3.78Å; L830-I851 HydrophobicContact CD2-CD1 3.99Å; L830-I851 HydrophobicContact CG-CD1 3.74Å; L847-I851 HydrophobicContact CB-CD1 4.42Å; L847-I851 VanDerWaalsContact O-CB 3.23Å; L847-I851 WeakPolarHBondContact O-CB 3.23Å; L847-I851 WeakPolarHBondContact O-CG1 3.13Å; L847-I851 PolarHBondContact O-N 3.47Å; Q849-I851 PolarHBondContact O-N 3.03Å; I851-N853 PolarHBondContact O-N 2.94Å; I851-H854 PolarHBondContact O-CD2 3.03Å; I851-G857 CarbonylContact O-C 3.58Å; I851-G857 VanDerWaalsContact O-CA 3.25Å; I851-G857 WeakPolarHBondContact O-CA 3.1Å; I851-L861 HydrophobicContact CG2-CD1 4.3Å; I851-L861 HydrophobicContact CG2-CD2 4.49Å
852	S	94.9	Very high	93	Very high	1 Å²	1	16.7 Å²	16.7	1%	0.007	10%	0.101	C	C	.	.	H	α-helix	trans	-65.6	-17.8	173.5	76.5	0	0	0	0	114.1	Y848 Q849 R858 Y888	Y848-S852 WeakPolarHBondContact O-CB 3.39Å; Y848-S852 PolarHBondContact O-N 2.94Å; Y848-S852 PolarHBondContact O-OG 2.91Å; Q849-S852 PolarHBondContact O-N 2.82Å; Q849-S852 PolarHBondContact O-OG 3Å; S852-R858 WeakPolarHBondContact O-CG 3.03Å; S852-Y888 VanDerWaalsContact CB-O 3.24Å; S852-Y888 WeakPolarHBondContact CB-O 3.31Å
853	N	88.8	Confident	93.4	Very high	33 Å²	33	19.9 Å²	19.9	18%	0.176	12%	0.118	C	C	.	.	T	Hydrogen-bonded Turn	trans	-84.6	-6.4	-173.4	-74.2	-7.7	0	0	0	115.2	D4 Q849 C850 I851 R858 K891	D4-N853 PolarHBondContact OD2-ND2 2.85Å; Q849-N853 PolarHBondContact O-OD1 3.12Å; C850-N853 WeakPolarHBondContact O-CB 3.24Å; C850-N853 PolarHBondContact O-N 2.91Å; I851-N853 PolarHBondContact O-N 2.94Å; N853-R858 PolarHBondContact O-NH1 2.85Å; N853-K891 PolarHBondContact OD1-NZ 3.33Å
854	H	86.2	Confident	93.6	Very high	30 Å²	30	20 Å²	20	14%	0.139	12%	0.118	C	C	.	.	S	Bend	trans	-132.5	150.7	-179.3	74.1	123.8	0	0	0	112.9	T820 I851 T856 G857 R858	T820-H854 PolarHBondContact O-CE1 3.35Å; T820-H854 VanDerWaalsContact O-CE1 3.25Å; I851-H854 PolarHBondContact O-CD2 3.03Å; H854-T856 PolarHBondContact O-N 2.87Å; H854-G857 PolarHBondContact NE2-N 3.14Å; H854-G857 PolarHBondContact O-N 3.19Å; H854-G857 VanDerWaalsContact O-N 3.11Å; H854-R858 WeakPolarHBondContact O-CG 3.16Å; H854-R858 PolarHBondContact O-N 2.97Å
855	P	87.9	Confident	93.8	Very high	56 Å²	56	20.1 Å²	20.1	36%	0.364	12%	0.119	S	C	.	.	H	α-helix	trans	-55.9	-41.2	-170	-28.9	36.1	0	0	0	115.1	R858 A859	P855-R858 PolarHBondContact O-N 3.23Å; P855-A859 PolarHBondContact O-N 3.15Å
856	T	91.1	Very high	94	Very high	34 Å²	34	21.8 Å²	21.8	21%	0.209	13%	0.129	C	C	.	.	H	α-helix	trans	-58.8	-49.4	177	-52.1	0	0	0	0	111.6	K821 I823 L826 H854 A859 M860	K821-T856 WeakPolarHBondContact O-CG2 2.96Å; I823-T856 HydrophobicContact CD1-CG2 4.21Å; I823-T856 HydrophobicContact CG1-CG2 3.4Å; I823-T856 VanDerWaalsContact CG1-CG2 3.4Å; L826-T856 HydrophobicContact CD1-CG2 4Å; H854-T856 PolarHBondContact O-N 2.87Å; T856-A859 PolarHBondContact O-N 3.49Å; T856-M860 PolarHBondContact O-N 3.03Å
857	G	92.7	Very high	94.2	Very high	0 Å²	0	28.5 Å²	28.5	0%	0	15%	0.154	C	C	.	.	H	α-helix	trans	-67.2	-42.3	179.5	0	0	0	0	0	112.7	I851 H854 A859 M860 L861	I851-G857 CarbonylContact O-C 3.58Å; I851-G857 VanDerWaalsContact O-CA 3.25Å; I851-G857 WeakPolarHBondContact O-CA 3.1Å; H854-G857 PolarHBondContact NE2-N 3.14Å; H854-G857 PolarHBondContact O-N 3.19Å; H854-G857 VanDerWaalsContact O-N 3.11Å; G857-A859 PolarHBondContact O-N 2.84Å; G857-M860 WeakPolarHBondContact O-CG 3.28Å; G857-M860 PolarHBondContact O-N 2.62Å; G857-M860 VanDerWaalsContact O-N 3.07Å; G857-L861 WeakPolarHBondContact O-CB 3.4Å; G857-L861 PolarHBondContact O-N 2.88Å
858	R	92.8	Very high	94.2	Very high	31 Å²	31	29.4 Å²	29.4	12%	0.117	16%	0.159	C	C	.	.	H	α-helix	trans	-51.8	-39.2	171.5	-70.5	-164.3	-85.9	-102.9	29.6	112.4	D728 S732 S852 N853 H854 P855 A892	D728-R858 IonicContact OD2-CZ 2.71Å; D728-R858 IonicContact OD2-NH1 2.8Å; D728-R858 IonicContact OD2-NH2 3.49Å; D728-R858 PolarHBondContact OD2-NH2 2.8Å; S732-R858 PolarHBondContact OG-NH2 3.09Å; S852-R858 WeakPolarHBondContact O-CG 3.03Å; N853-R858 PolarHBondContact O-NH1 2.85Å; H854-R858 WeakPolarHBondContact O-CG 3.16Å; H854-R858 PolarHBondContact O-N 2.97Å; P855-R858 PolarHBondContact O-N 3.23Å; R858-A892 HydrophobicContact CB-CB 4.47Å; R858-A892 HydrophobicContact CG-CB 4.13Å
859	A	89.8	Confident	94.2	Very high	86 Å²	86	29.5 Å²	29.5	71%	0.711	16%	0.16	S	C	*	.	H	α-helix	trans	-73.7	-21.5	-179	0	0	0	0	0	114.7	P855 T856 G857	P855-A859 PolarHBondContact O-N 3.15Å; T856-A859 PolarHBondContact O-N 3.49Å; G857-A859 PolarHBondContact O-N 2.84Å
860	M	95.1	Very high	94.1	Very high	10 Å²	10	33.6 Å²	33.6	5%	0.049	18%	0.182	C	C	.	.	H	α-helix	trans	-113.4	-21.4	-175.5	63	153.9	-79.9	0	0	115.6	I823 L826 N827 L830 T856 G857 W862 D863 F864	I823-M860 HydrophobicContact CG2-SD 4.04Å; L826-M860 HydrophobicContact CB-CE 4.19Å; L826-M860 HydrophobicContact CB-SD 3.57Å; L826-M860 VanDerWaalsContact CB-SD 3.57Å; L826-M860 HydrophobicContact CD1-SD 3.89Å; L826-M860 HydrophobicContact CG-SD 4.4Å; N827-M860 VanDerWaalsContact ND2-CE 3.28Å; N827-M860 WeakPolarHBondContact ND2-CE 3.45Å; N827-M860 PolarHBondContact ND2-SD 3.38Å; N827-M860 VanDerWaalsContact ND2-SD 3.43Å; L830-M860 HydrophobicContact CD1-CE 3.87Å; T856-M860 PolarHBondContact O-N 3.03Å; G857-M860 WeakPolarHBondContact O-CG 3.28Å; G857-M860 PolarHBondContact O-N 2.62Å; G857-M860 VanDerWaalsContact O-N 3.07Å; M860-W862 PolarHBondContact O-N 3.15Å; M860-D863 PolarHBondContact O-N 2.95Å; M860-F864 HydrophobicContact CE-CB 4.11Å; M860-F864 PolarHBondContact O-N 2.82Å
861	L	97	Very high	94	Very high	1 Å²	1	36.8 Å²	36.8	1%	0.005	19%	0.192	C	C	.	.	H	α-helix	trans	-65.7	-40.2	-164.7	-171.2	58	0	0	0	113.3	L830 Y848 I851 G857 F864 T865 A889	L830-L861 HydrophobicContact CD1-CD1 3.95Å; Y848-L861 HydrophobicContact CD1-CD1 3.79Å; Y848-L861 HydrophobicContact CD1-CD2 3.95Å; Y848-L861 HydrophobicContact CD1-CG 4.01Å; Y848-L861 HydrophobicContact CD2-CD1 4.19Å; Y848-L861 HydrophobicContact CE1-CD1 3.83Å; Y848-L861 HydrophobicContact CE1-CG 4.16Å; Y848-L861 HydrophobicContact CE2-CD1 4.22Å; Y848-L861 HydrophobicContact CG-CD1 4Å; Y848-L861 HydrophobicContact CG-CD2 4.32Å; I851-L861 HydrophobicContact CG2-CD1 4.3Å; I851-L861 HydrophobicContact CG2-CD2 4.49Å; G857-L861 WeakPolarHBondContact O-CB 3.4Å; G857-L861 PolarHBondContact O-N 2.88Å; L861-F864 PolarHBondContact O-N 2.73Å; L861-T865 WeakPolarHBondContact O-CB 3.43Å; L861-T865 PolarHBondContact O-N 3.27Å; L861-T865 PolarHBondContact O-OG1 2.72Å; L861-A889 HydrophobicContact CG-CB 4.21Å
862	W	97.2	Very high	93.9	Very high	28 Å²	28	36.8 Å²	36.8	11%	0.106	19%	0.192	C	C	.	.	H	α-helix	trans	-65.3	-40.9	176	177	-109.7	0	0	0	113.3	M860 T865 T866 A889 T890 F893 V902 F905 F919	M860-W862 PolarHBondContact O-N 3.15Å; W862-T865 WeakPolarHBondContact O-CB 3.15Å; W862-T865 PolarHBondContact O-N 2.67Å; W862-T866 HydrophobicContact CD2-CG2 3.96Å; W862-T866 HydrophobicContact CE3-CG2 4.37Å; W862-T866 HydrophobicContact CH2-CG2 4.02Å; W862-T866 HydrophobicContact CZ2-CG2 3.58Å; W862-T866 HydrophobicContact CZ3-CG2 4.4Å; W862-T866 WeakPolarHBondContact O-CG2 3.29Å; W862-T866 PolarHBondContact O-N 2.94Å; W862-T866 PolarHBondContact O-OG1 2.94Å; W862-A889 HydrophobicContact CE3-CB 4.2Å; W862-T890 HydrophobicContact CE3-CG2 3.82Å; W862-T890 HydrophobicContact CZ3-CG2 3.82Å; W862-F893 HydrophobicContact CB-CE1 4.3Å; W862-F893 HydrophobicContact CB-CE2 4.26Å; W862-F893 HydrophobicContact CB-CZ 3.52Å; W862-F893 AromaticContact CD1-CZ 3.74Å; W862-F893 AromaticContact CD2-CE2 3.94Å; W862-F893 HydrophobicContact CD2-CE2 3.94Å; W862-F893 HydrophobicContact CD2-CZ 4.1Å; W862-F893 HydrophobicContact CE3-CE2 4.46Å; W862-F893 AromaticContact CG-CE2 3.82Å; W862-F893 HydrophobicContact CG-CE2 3.82Å; W862-F893 AromaticContact CG-CZ 3.48Å; W862-F893 HydrophobicContact CG-CZ 3.48Å; W862-F893 VanDerWaalsContact CG-CZ 3.48Å; W862-V902 HydrophobicContact CH2-CB 4.33Å; W862-V902 HydrophobicContact CH2-CG1 4.22Å; W862-V902 HydrophobicContact CH2-CG2 3.86Å; W862-V902 HydrophobicContact CZ2-CB 4.33Å; W862-V902 HydrophobicContact CZ2-CG2 3.8Å; W862-V902 HydrophobicContact CZ3-CG2 4.32Å; W862-F905 HydrophobicContact CH2-CB 4.11Å; W862-F905 AromaticContact CH2-CD1 3.99Å; W862-F905 HydrophobicContact CH2-CD1 3.99Å; W862-F905 AromaticContact CH2-CG 3.98Å; W862-F905 HydrophobicContact CH2-CG 3.98Å; W862-F905 HydrophobicContact CZ2-CB 3.91Å; W862-F905 HydrophobicContact CZ2-CG 4.09Å; W862-F919 HydrophobicContact CH2-CE1 4.09Å; W862-F919 HydrophobicContact CZ3-CE1 4.19Å
863	D	96.6	Very high	93.7	Very high	75 Å²	75	37.3 Å²	37.3	40%	0.401	20%	0.195	S	C	.	.	H	α-helix	trans	-65.2	-43.4	175.1	164.4	66.3	0	0	0	111	M860 T865 T866 R867	M860-D863 PolarHBondContact O-N 2.95Å; D863-T865 VanDerWaalsContact C-N 3.33Å; D863-T865 PolarHBondContact O-N 3.4Å; D863-T866 PolarHBondContact O-N 2.75Å; D863-T866 PolarHBondContact O-OG1 3.44Å; D863-R867 VanDerWaalsContact O-CB 3.27Å; D863-R867 WeakPolarHBondContact O-CB 3.48Å; D863-R867 VanDerWaalsContact O-CG 3.29Å; D863-R867 WeakPolarHBondContact O-CG 3.4Å; D863-R867 PolarHBondContact O-N 2.96Å; D863-R867 WeakPolarHBondContact OD1-CD 3.38Å; D863-R867 IonicContact OD1-NE 3.89Å; D863-R867 PolarHBondContact OD1-NE 3.2Å; D863-R867 IonicContact OD2-CZ 3.71Å; D863-R867 IonicContact OD2-NE 3.1Å; D863-R867 PolarHBondContact OD2-NE 3.12Å; D863-R867 IonicContact OD2-NH2 2.69Å; D863-R867 PolarHBondContact OD2-NH2 2.84Å
864	F	98	Very high	93.6	Very high	4 Å²	4	41.6 Å²	41.6	2%	0.018	21%	0.214	C	C	.	.	H	α-helix	trans	-58.9	-44.3	171.6	179.6	-85.9	0	0	0	112.1	L830 L834 Y848 M860 L861 N868	L830-F864 HydrophobicContact CB-CD1 4.32Å; L830-F864 HydrophobicContact CB-CD2 4.36Å; L830-F864 HydrophobicContact CB-CE1 3.7Å; L830-F864 HydrophobicContact CB-CE2 3.73Å; L830-F864 HydrophobicContact CB-CZ 3.38Å; L830-F864 HydrophobicContact CD1-CD1 3.91Å; L830-F864 HydrophobicContact CD1-CD2 4.3Å; L830-F864 HydrophobicContact CD1-CE1 4.13Å; L830-F864 HydrophobicContact CD1-CE2 4.49Å; L830-F864 HydrophobicContact CD1-CG 4.02Å; L830-F864 HydrophobicContact CD1-CZ 4.42Å; L830-F864 HydrophobicContact CG-CE1 4.39Å; L830-F864 HydrophobicContact CG-CZ 4.47Å; L834-F864 HydrophobicContact CD1-CE1 3.76Å; L834-F864 HydrophobicContact CD1-CZ 3.73Å; L834-F864 HydrophobicContact CG-CZ 4.47Å; Y848-F864 HydrophobicContact CE2-CE1 4.47Å; M860-F864 HydrophobicContact CE-CB 4.11Å; M860-F864 PolarHBondContact O-N 2.82Å; L861-F864 PolarHBondContact O-N 2.73Å; F864-N868 HydrophobicContact CE1-CB 4.4Å; F864-N868 WeakPolarHBondContact CE2-ND2 3.05Å; F864-N868 WeakPolarHBondContact O-CB 3.43Å; F864-N868 PolarHBondContact O-N 3.29Å; F864-N868 PolarHBondContact O-ND2 2.83Å
865	T	97.7	Very high	93.6	Very high	2 Å²	2	40.7 Å²	40.7	1%	0.012	21%	0.21	C	C	.	.	H	α-helix	trans	-61.5	-49.4	-179.3	-56.3	0	0	0	0	111.3	Y848 L861 W862 D863 N868 W869 I872 A889	Y848-T865 HydrophobicContact CE1-CG2 4.36Å; Y848-T865 VanDerWaalsContact CE1-OG1 3.24Å; Y848-T865 WeakPolarHBondContact CE1-OG1 3.07Å; Y848-T865 PolarHBondContact OH-OG1 3.37Å; L861-T865 WeakPolarHBondContact O-CB 3.43Å; L861-T865 PolarHBondContact O-N 3.27Å; L861-T865 PolarHBondContact O-OG1 2.72Å; W862-T865 WeakPolarHBondContact O-CB 3.15Å; W862-T865 PolarHBondContact O-N 2.67Å; D863-T865 VanDerWaalsContact C-N 3.33Å; D863-T865 PolarHBondContact O-N 3.4Å; T865-N868 CarbonylContact O-C 3.51Å; T865-N868 PolarHBondContact O-N 2.71Å; T865-W869 HydrophobicContact CG2-CE3 3.86Å; T865-W869 HydrophobicContact CG2-CZ3 3.92Å; T865-W869 WeakPolarHBondContact O-CA 3.38Å; T865-W869 PolarHBondContact O-N 2.83Å; T865-I872 HydrophobicContact CG2-CD1 4.22Å; T865-A889 HydrophobicContact CG2-CB 4.35Å; T865-A889 WeakPolarHBondContact OG1-CB 3.01Å
866	T	96.9	Very high	93.4	Very high	40 Å²	40	38.1 Å²	38.1	25%	0.245	19%	0.193	C	C	.	.	H	α-helix	trans	-70.7	-39.8	-178.3	52	0	0	0	0	112.1	W862 D863 N868 W869 F905	W862-T866 HydrophobicContact CD2-CG2 3.96Å; W862-T866 HydrophobicContact CE3-CG2 4.37Å; W862-T866 HydrophobicContact CH2-CG2 4.02Å; W862-T866 HydrophobicContact CZ2-CG2 3.58Å; W862-T866 HydrophobicContact CZ3-CG2 4.4Å; W862-T866 WeakPolarHBondContact O-CG2 3.29Å; W862-T866 PolarHBondContact O-N 2.94Å; W862-T866 PolarHBondContact O-OG1 2.94Å; D863-T866 PolarHBondContact O-N 2.75Å; D863-T866 PolarHBondContact O-OG1 3.44Å; T866-N868 VanDerWaalsContact C-N 3.31Å; T866-N868 PolarHBondContact O-N 2.88Å; T866-W869 PolarHBondContact O-N 3.14Å; T866-F905 HydrophobicContact CG2-CD2 3.67Å; T866-F905 HydrophobicContact CG2-CE2 3.81Å; T866-F905 HydrophobicContact CG2-CG 4.37Å
867	R	96.7	Very high	92.7	Very high	140 Å²	140	42.1 Å²	42.1	53%	0.528	20%	0.204	S	C	.	.	H	α-helix	trans	-63.3	-31.2	173.3	-73.8	-169.9	-73.1	116.8	-1.3	113.6	N827 D863	N827-R867 PolarHBondContact OD1-NH2 3.12Å; D863-R867 VanDerWaalsContact O-CB 3.27Å; D863-R867 WeakPolarHBondContact O-CB 3.48Å; D863-R867 VanDerWaalsContact O-CG 3.29Å; D863-R867 WeakPolarHBondContact O-CG 3.4Å; D863-R867 PolarHBondContact O-N 2.96Å; D863-R867 WeakPolarHBondContact OD1-CD 3.38Å; D863-R867 IonicContact OD1-NE 3.89Å; D863-R867 PolarHBondContact OD1-NE 3.2Å; D863-R867 IonicContact OD2-CZ 3.71Å; D863-R867 IonicContact OD2-NE 3.1Å; D863-R867 PolarHBondContact OD2-NE 3.12Å; D863-R867 IonicContact OD2-NH2 2.69Å; D863-R867 PolarHBondContact OD2-NH2 2.84Å
868	N	96.9	Very high	91.7	Very high	20 Å²	20	43.8 Å²	43.8	11%	0.107	21%	0.213	C	C	.	.	T	Hydrogen-bonded Turn	trans	-104.2	8	-178.7	-69.7	-82.2	0	0	0	114.3	L834 F864 T865 T866 D870 R871 I872	L834-N868 HydrophobicContact CD1-CB 3.86Å; F864-N868 HydrophobicContact CE1-CB 4.4Å; F864-N868 WeakPolarHBondContact CE2-ND2 3.05Å; F864-N868 WeakPolarHBondContact O-CB 3.43Å; F864-N868 PolarHBondContact O-N 3.29Å; F864-N868 PolarHBondContact O-ND2 2.83Å; T865-N868 CarbonylContact O-C 3.51Å; T865-N868 PolarHBondContact O-N 2.71Å; T866-N868 VanDerWaalsContact C-N 3.31Å; T866-N868 PolarHBondContact O-N 2.88Å; N868-D870 VanDerWaalsContact C-N 3.28Å; N868-D870 PolarHBondContact O-N 3.39Å; N868-D870 VanDerWaalsContact O-N 3.1Å; N868-R871 WeakPolarHBondContact O-CB 3.45Å; N868-R871 PolarHBondContact O-N 2.78Å; N868-R871 PolarHBondContact OD1-NH1 2.92Å; N868-I872 HydrophobicContact CB-CD1 4.12Å; N868-I872 HydrophobicContact CB-CG1 4.42Å; N868-I872 PolarHBondContact O-N 3.01Å; N868-I872 VanDerWaalsContact O-N 3.08Å
869	W	95.9	Very high	90.9	Very high	2 Å²	2	42.8 Å²	42.8	1%	0.008	21%	0.21	C	C	.	.	H	α-helix	trans	-54.4	-40.2	-166.4	-172.4	-108.9	0	0	0	114.5	T865 T866 R871 I872 I873 L882 V886 F905 N911 L912 F919	T865-W869 HydrophobicContact CG2-CE3 3.86Å; T865-W869 HydrophobicContact CG2-CZ3 3.92Å; T865-W869 WeakPolarHBondContact O-CA 3.38Å; T865-W869 PolarHBondContact O-N 2.83Å; T866-W869 PolarHBondContact O-N 3.14Å; W869-R871 VanDerWaalsContact C-N 3.3Å; W869-R871 PolarHBondContact O-N 3.4Å; W869-I872 HydrophobicContact CE3-CB 4.45Å; W869-I872 HydrophobicContact CE3-CD1 4.42Å; W869-I872 HydrophobicContact CE3-CG2 4.3Å; W869-I872 HydrophobicContact CZ3-CG2 4.22Å; W869-I872 CarbonylContact O-C 3.55Å; W869-I872 WeakPolarHBondContact O-CB 3.44Å; W869-I872 PolarHBondContact O-N 3.42Å; W869-I872 VanDerWaalsContact O-N 3.11Å; W869-I873 HydrophobicContact CD2-CG1 4.18Å; W869-I873 HydrophobicContact CG-CG1 4.36Å; W869-I873 HydrophobicContact CZ2-CD1 3.69Å; W869-I873 HydrophobicContact CZ2-CG1 3.95Å; W869-I873 VanDerWaalsContact NE1-CG1 3.33Å; W869-I873 WeakPolarHBondContact O-CG1 3.49Å; W869-I873 PolarHBondContact O-N 3.19Å; W869-L882 HydrophobicContact CH2-CD1 3.79Å; W869-L882 HydrophobicContact CH2-CD2 4.36Å; W869-L882 HydrophobicContact CH2-CG 4.32Å; W869-L882 HydrophobicContact CZ3-CD1 4.03Å; W869-V886 HydrophobicContact CH2-CG2 3.76Å; W869-V886 HydrophobicContact CZ3-CG2 4.07Å; W869-F905 HydrophobicContact CB-CE2 4.41Å; W869-F905 HydrophobicContact CB-CZ 4.19Å; W869-F905 AromaticContact CD1-CZ 3.75Å; W869-F905 HydrophobicContact CD2-CE1 4.23Å; W869-F905 AromaticContact CD2-CZ 3.55Å; W869-F905 HydrophobicContact CD2-CZ 3.55Å; W869-F905 AromaticContact CE2-CZ 3.72Å; W869-F905 HydrophobicContact CE3-CZ 4.13Å; W869-F905 HydrophobicContact CG-CE2 4.22Å; W869-F905 AromaticContact CG-CZ 3.56Å; W869-F905 HydrophobicContact CG-CZ 3.56Å; W869-F905 HydrophobicContact CZ2-CE1 4.33Å; W869-F905 HydrophobicContact CZ2-CZ 4.43Å; W869-F905 AromaticContact NE1-CZ 3.8Å; W869-N911 PolarHBondContact NE1-O 3.16Å; W869-L912 HydrophobicContact CZ2-CD2 4.44Å; W869-F919 AromaticContact CH2-CE2 3.5Å; W869-F919 HydrophobicContact CH2-CE2 3.5Å; W869-F919 AromaticContact CH2-CZ 3.54Å; W869-F919 HydrophobicContact CH2-CZ 3.54Å; W869-F919 AromaticContact CZ2-CE2 3.63Å; W869-F919 HydrophobicContact CZ2-CE2 3.63Å; W869-F919 AromaticContact CZ2-CZ 3.9Å; W869-F919 HydrophobicContact CZ2-CZ 3.9Å; W869-F919 HydrophobicContact CZ3-CE2 4.48Å; W869-F919 HydrophobicContact CZ3-CZ 4.1Å
870	D	92.7	Very high	90.3	Very high	99 Å²	99	40.6 Å²	40.6	53%	0.529	19%	0.188	S	C	.	.	H	α-helix	trans	-69.5	-29.6	-177	-53.8	-43.3	0	0	0	111.9	N868 E874 K910	N868-D870 VanDerWaalsContact C-N 3.28Å; N868-D870 PolarHBondContact O-N 3.39Å; N868-D870 VanDerWaalsContact O-N 3.1Å; D870-E874 PolarHBondContact O-N 3.44Å; D870-K910 IonicContact OD1-NZ 3.53Å; D870-K910 PolarHBondContact OD1-NZ 3.07Å; D870-K910 IonicContact OD2-NZ 3.35Å; D870-K910 PolarHBondContact OD2-NZ 3.26Å
871	R	93	Very high	89.8	Confident	80 Å²	80	40.4 Å²	40.4	30%	0.302	19%	0.187	S	C	.	.	H	α-helix	trans	-71.4	-39.1	169.7	-62.6	168.1	62.2	-174.1	7.4	111.6	D831 N868 W869 I873 E874 N875	D831-R871 IonicContact OD1-CZ 2.69Å; D831-R871 IonicContact OD1-NH1 3.74Å; D831-R871 PolarHBondContact OD1-NH1 2.77Å; D831-R871 IonicContact OD1-NH2 3.93Å; D831-R871 PolarHBondContact OD1-NH2 2.87Å; N868-R871 WeakPolarHBondContact O-CB 3.45Å; N868-R871 PolarHBondContact O-N 2.78Å; N868-R871 PolarHBondContact OD1-NH1 2.92Å; W869-R871 VanDerWaalsContact C-N 3.3Å; W869-R871 PolarHBondContact O-N 3.4Å; R871-I873 VanDerWaalsContact C-N 3.34Å; R871-E874 PolarHBondContact O-N 3.02Å; R871-N875 WeakPolarHBondContact O-CB 3.31Å; R871-N875 PolarHBondContact O-N 3.18Å; R871-N875 PolarHBondContact O-ND2 3.5Å
872	I	94.3	Very high	89.4	Confident	1 Å²	1	40.4 Å²	40.4	1%	0.005	19%	0.187	C	C	.	.	H	α-helix	trans	-64.5	-42.1	177.8	-66	166.5	0	0	0	109.6	L834 Y848 T865 N868 W869 N875 F876 L882 M885	L834-I872 HydrophobicContact CD1-CG1 4.01Å; L834-I872 HydrophobicContact CD2-CG1 4.05Å; Y848-I872 VanDerWaalsContact OH-CD1 3.31Å; Y848-I872 WeakPolarHBondContact OH-CD1 3.25Å; T865-I872 HydrophobicContact CG2-CD1 4.22Å; N868-I872 HydrophobicContact CB-CD1 4.12Å; N868-I872 HydrophobicContact CB-CG1 4.42Å; N868-I872 PolarHBondContact O-N 3.01Å; N868-I872 VanDerWaalsContact O-N 3.08Å; W869-I872 HydrophobicContact CE3-CB 4.45Å; W869-I872 HydrophobicContact CE3-CD1 4.42Å; W869-I872 HydrophobicContact CE3-CG2 4.3Å; W869-I872 HydrophobicContact CZ3-CG2 4.22Å; W869-I872 CarbonylContact O-C 3.55Å; W869-I872 WeakPolarHBondContact O-CB 3.44Å; W869-I872 PolarHBondContact O-N 3.42Å; W869-I872 VanDerWaalsContact O-N 3.11Å; I872-N875 PolarHBondContact O-N 3.36Å; I872-F876 HydrophobicContact CG2-CD2 4.3Å; I872-F876 WeakPolarHBondContact O-CB 3.4Å; I872-F876 PolarHBondContact O-N 3.32Å; I872-L882 HydrophobicContact CG2-CD1 3.39Å; I872-M885 HydrophobicContact CG2-CE 4.01Å
873	I	89.5	Confident	88.9	Confident	12 Å²	12	40.3 Å²	40.3	6%	0.062	19%	0.189	C	C	.	.	H	α-helix	trans	-70.8	-31.8	174.6	-70.4	-71	0	0	0	113	W869 R871 N875 R877 L882 N911 A913	W869-I873 HydrophobicContact CD2-CG1 4.18Å; W869-I873 HydrophobicContact CG-CG1 4.36Å; W869-I873 HydrophobicContact CZ2-CD1 3.69Å; W869-I873 HydrophobicContact CZ2-CG1 3.95Å; W869-I873 VanDerWaalsContact NE1-CG1 3.33Å; W869-I873 WeakPolarHBondContact O-CG1 3.49Å; W869-I873 PolarHBondContact O-N 3.19Å; R871-I873 VanDerWaalsContact C-N 3.34Å; I873-N875 VanDerWaalsContact C-N 3.34Å; I873-R877 WeakPolarHBondContact O-CB 3.07Å; I873-R877 PolarHBondContact O-N 2.97Å; I873-L882 HydrophobicContact CD1-CD2 3.75Å; I873-N911 WeakPolarHBondContact CD1-O 3.35Å; I873-A913 HydrophobicContact CD1-CB 3.91Å
874	E	86.4	Confident	88.5	Confident	122 Å²	122	38.3 Å²	38.3	57%	0.57	18%	0.176	S	C	*	.	H	α-helix	trans	-62.4	-43.6	169.5	-169.4	-169	159.2	0	0	111.1	R220 D870 R871	R220-E874 IonicContact CZ-OE1 2.69Å; R220-E874 IonicContact NE-OE1 2.61Å; R220-E874 IonicContact NH2-OE1 3.11Å; R220-E874 PolarHBondContact NH2-OE1 2.73Å; D870-E874 PolarHBondContact O-N 3.44Å; R871-E874 PolarHBondContact O-N 3.02Å
875	N	86.8	Confident	88.3	Confident	11 Å²	11	38.2 Å²	38.2	6%	0.059	18%	0.176	C	C	.	.	H	α-helix	trans	-81.7	-41.3	-173	-79.8	-25	0	0	0	114.2	H221 L834 L841 R871 I872 I873	H221-N875 WeakPolarHBondContact CB-O 3.28Å; L834-N875 PolarHBondContact O-ND2 2.97Å; L841-N875 HydrophobicContact CD1-CB 4.06Å; L841-N875 WeakPolarHBondContact CD1-ND2 3.17Å; L841-N875 HydrophobicContact CD2-CB 3.9Å; L841-N875 HydrophobicContact CG-CB 4.49Å; R871-N875 WeakPolarHBondContact O-CB 3.31Å; R871-N875 PolarHBondContact O-N 3.18Å; R871-N875 PolarHBondContact O-ND2 3.5Å; I872-N875 PolarHBondContact O-N 3.36Å; I873-N875 VanDerWaalsContact C-N 3.34Å
876	F	84.8	Confident	88.1	Confident	2 Å²	2	38.2 Å²	38.2	1%	0.009	18%	0.175	C	C	.	.	H	α-helix	trans	-119.2	-15.4	-165.4	-65.3	-87.9	0	0	0	115.6	H221 L834 L841 T844 P845 I872 D878 T879 E881 L882 M885	H221-F876 HydrophobicContact CB-CD1 4.41Å; H221-F876 HydrophobicContact CB-CE1 4.44Å; H221-F876 AromaticContact CD2-CD1 3.93Å; H221-F876 AromaticContact CD2-CE1 3.33Å; H221-F876 WeakPolarHBondContact CD2-CE1 3.32Å; H221-F876 AromaticContact CE1-CE1 3.99Å; H221-F876 AromaticContact CG-CD1 3.84Å; H221-F876 AromaticContact CG-CE1 3.72Å; H221-F876 AromaticContact ND1-CD1 3.96Å; H221-F876 AromaticContact NE2-CE1 3.56Å; L834-F876 HydrophobicContact CD2-CE2 4Å; L841-F876 HydrophobicContact CD1-CE2 3.64Å; L841-F876 HydrophobicContact CD1-CZ 3.65Å; L841-F876 HydrophobicContact CG-CE2 4.25Å; L841-F876 HydrophobicContact CG-CZ 3.89Å; T844-F876 HydrophobicContact CG2-CE2 4.47Å; T844-F876 HydrophobicContact CG2-CZ 4.37Å; P845-F876 HydrophobicContact CG-CE1 4.35Å; I872-F876 HydrophobicContact CG2-CD2 4.3Å; I872-F876 WeakPolarHBondContact O-CB 3.4Å; I872-F876 PolarHBondContact O-N 3.32Å; F876-D878 PolarHBondContact O-N 3.12Å; F876-T879 WeakPolarHBondContact O-CB 3.36Å; F876-T879 VanDerWaalsContact O-CG2 3.29Å; F876-T879 WeakPolarHBondContact O-CG2 3.43Å; F876-T879 PolarHBondContact O-N 3.03Å; F876-T879 VanDerWaalsContact O-N 3.1Å; F876-T879 PolarHBondContact O-OG1 2.97Å; F876-E881 HydrophobicContact CD1-CB 3.93Å; F876-E881 HydrophobicContact CE1-CB 4.27Å; F876-L882 HydrophobicContact CB-CB 4.13Å; F876-L882 HydrophobicContact CB-CD1 4.43Å; F876-M885 HydrophobicContact CB-CE 4.09Å; F876-M885 HydrophobicContact CD1-CE 3.81Å; F876-M885 HydrophobicContact CD2-CE 3.57Å; F876-M885 HydrophobicContact CE1-CE 4.08Å; F876-M885 HydrophobicContact CE2-CE 3.85Å; F876-M885 HydrophobicContact CE2-SD 4.37Å; F876-M885 HydrophobicContact CG-CE 3.55Å; F876-M885 HydrophobicContact CZ-CE 4.11Å; F876-M885 HydrophobicContact CZ-SD 4.43Å
877	R	75.5	Confident	88	Confident	118 Å²	118	36.9 Å²	36.9	45%	0.445	17%	0.166	S	C	.	.	T	Hydrogen-bonded Turn	trans	9.9	-88.1	-177.9	-162.8	-175.2	-65.5	-164.5	-0.6	117.5	I873 L882 A913	I873-R877 WeakPolarHBondContact O-CB 3.07Å; I873-R877 PolarHBondContact O-N 2.97Å; R877-L882 WeakPolarHBondContact O-CD2 3.46Å; R877-A913 HydrophobicContact CB-CB 4.5Å; R877-A913 HydrophobicContact CG-CB 3.64Å; R877-A913 WeakPolarHBondContact O-CB 3.09Å
878	D	71.7	Confident	87.9	Confident	36 Å²	36	31.1 Å²	31.1	19%	0.193	14%	0.144	C	C	.	.	T	Hydrogen-bonded Turn	trans	-103.9	45.8	-168.8	-56.3	-56.3	0	0	0	111.5	L485 F876 S914	L485-D878 HydrophobicContact CD1-CB 4.38Å; F876-D878 PolarHBondContact O-N 3.12Å; D878-S914 WeakPolarHBondContact CA-OG 3.44Å; D878-S914 PolarHBondContact OD1-N 2.99Å
879	T	76.4	Confident	87.9	Confident	9 Å²	9	30.4 Å²	30.4	6%	0.055	14%	0.141	C	C	.	.	S	Bend	trans	-121.5	151.1	-176.2	63.3	0	0	0	0	113.2	C223 F876 E881 L882	C223-T879 HydrophobicContact CB-CG2 3.5Å; C223-T879 VanDerWaalsContact CB-CG2 3.5Å; F876-T879 WeakPolarHBondContact O-CB 3.36Å; F876-T879 VanDerWaalsContact O-CG2 3.29Å; F876-T879 WeakPolarHBondContact O-CG2 3.43Å; F876-T879 PolarHBondContact O-N 3.03Å; F876-T879 VanDerWaalsContact O-N 3.1Å; F876-T879 PolarHBondContact O-OG1 2.97Å; T879-E881 PolarHBondContact O-N 2.77Å; T879-L882 WeakPolarHBondContact O-CB 3.45Å; T879-L882 PolarHBondContact O-N 3.01Å; T879-L882 PolarHBondContact OG1-N 2.74Å
880	V	77.4	Confident	88	Confident	40 Å²	40	30.6 Å²	30.6	24%	0.242	14%	0.142	C	C	.	.	H	α-helix	trans	-65	-26.2	174.5	-166.3	0	0	0	0	110.8	P490 L882 D883 Y884	P490-V880 HydrophobicContact CG-CG1 3.84Å; V880-L882 VanDerWaalsContact C-N 3.29Å; V880-L882 PolarHBondContact O-N 2.75Å; V880-D883 WeakPolarHBondContact O-CB 3.48Å; V880-D883 PolarHBondContact O-N 2.94Å; V880-Y884 HydrophobicContact CB-CE2 4.36Å; V880-Y884 HydrophobicContact CG1-CD2 4.1Å; V880-Y884 HydrophobicContact CG1-CE2 3.54Å; V880-Y884 WeakPolarHBondContact O-CD2 3.08Å; V880-Y884 PolarHBondContact O-N 2.77Å
881	E	83.9	Confident	88	Confident	7 Å²	7	27.9 Å²	27.9	3%	0.033	13%	0.126	C	C	.	.	H	α-helix	trans	-58.8	-34.7	170.3	-73.8	83.7	169.4	0	0	113.4	H221 R354 P845 F876 T879 M885	H221-E881 IonicContact CE1-OE1 3.15Å; R354-E881 IonicContact CZ-OE1 3.73Å; R354-E881 IonicContact NE-OE1 3.55Å; R354-E881 PolarHBondContact NE-OE1 2.85Å; R354-E881 IonicContact NH2-OE1 3.91Å; R354-E881 PolarHBondContact NH2-OE1 2.81Å; P845-E881 HydrophobicContact CG-CB 3.69Å; P845-E881 HydrophobicContact CG-CG 3.77Å; F876-E881 HydrophobicContact CD1-CB 3.93Å; F876-E881 HydrophobicContact CE1-CB 4.27Å; T879-E881 PolarHBondContact O-N 2.77Å; E881-M885 WeakPolarHBondContact O-CG 3.31Å; E881-M885 PolarHBondContact O-N 2.81Å; E881-M885 VanDerWaalsContact O-N 3.16Å
882	L	88.1	Confident	87.9	Confident	0 Å²	0	25.2 Å²	25.2	0%	0	12%	0.121	C	C	.	.	H	α-helix	trans	-67.4	-45	172.8	-174.6	58.5	0	0	0	111.3	W869 I872 I873 F876 R877 T879 V880 Y884 M885 V886 A913 S915	W869-L882 HydrophobicContact CH2-CD1 3.79Å; W869-L882 HydrophobicContact CH2-CD2 4.36Å; W869-L882 HydrophobicContact CH2-CG 4.32Å; W869-L882 HydrophobicContact CZ3-CD1 4.03Å; I872-L882 HydrophobicContact CG2-CD1 3.39Å; I873-L882 HydrophobicContact CD1-CD2 3.75Å; F876-L882 HydrophobicContact CB-CB 4.13Å; F876-L882 HydrophobicContact CB-CD1 4.43Å; R877-L882 WeakPolarHBondContact O-CD2 3.46Å; T879-L882 WeakPolarHBondContact O-CB 3.45Å; T879-L882 PolarHBondContact O-N 3.01Å; T879-L882 PolarHBondContact OG1-N 2.74Å; V880-L882 VanDerWaalsContact C-N 3.29Å; V880-L882 PolarHBondContact O-N 2.75Å; L882-Y884 VanDerWaalsContact C-N 3.31Å; L882-Y884 PolarHBondContact O-N 2.94Å; L882-M885 HydrophobicContact CD1-CE 4Å; L882-M885 PolarHBondContact O-N 3.4Å; L882-M885 VanDerWaalsContact O-N 3.12Å; L882-V886 WeakPolarHBondContact O-CG2 3.34Å; L882-V886 PolarHBondContact O-N 3.16Å; L882-A913 HydrophobicContact CD2-CB 4.38Å; L882-S915 WeakPolarHBondContact CD2-OG 3.42Å; L882-S915 VanDerWaalsContact CG-OG 3.3Å; L882-S915 WeakPolarHBondContact CG-OG 3.5Å
883	D	87.1	Confident	88	Confident	26 Å²	26	26.2 Å²	26.2	14%	0.139	13%	0.126	C	C	.	.	H	α-helix	trans	-57.4	-43.8	177.5	-70.7	-13.2	0	0	0	111.6	V880 R887 S915 V918	V880-D883 WeakPolarHBondContact O-CB 3.48Å; V880-D883 PolarHBondContact O-N 2.94Å; D883-R887 VanDerWaalsContact O-CD 3.3Å; D883-R887 WeakPolarHBondContact O-CD 3.21Å; D883-R887 WeakPolarHBondContact O-CG 3.43Å; D883-R887 PolarHBondContact O-N 2.71Å; D883-R887 PolarHBondContact O-NE 2.71Å; D883-S915 VanDerWaalsContact OD1-CA 3.31Å; D883-S915 WeakPolarHBondContact OD1-CA 3.28Å; D883-S915 WeakPolarHBondContact OD1-CB 3.34Å; D883-S915 PolarHBondContact OD1-OG 2.77Å; D883-V918 HydrophobicContact CB-CB 4.42Å; D883-V918 HydrophobicContact CB-CG1 4.37Å; D883-V918 HydrophobicContact CB-CG2 3.73Å; D883-V918 VanDerWaalsContact OD1-CG2 3.29Å; D883-V918 WeakPolarHBondContact OD1-CG2 3.45Å
884	Y	88.3	Confident	88.3	Confident	34 Å²	34	26.8 Å²	26.8	13%	0.133	13%	0.127	C	C	.	.	H	α-helix	trans	-62.4	-44.5	174.3	-69.8	-53.2	0	0	0	112.4	P6 A351 T352 V880 L882 V886 R887 Y888	P6-Y884 HydrophobicContact CG-CD1 3.99Å; P6-Y884 HydrophobicContact CG-CE1 4.13Å; A351-Y884 HydrophobicContact CB-CD2 3.81Å; A351-Y884 HydrophobicContact CB-CE2 3.58Å; T352-Y884 HydrophobicContact CG2-CE2 4.43Å; V880-Y884 HydrophobicContact CB-CE2 4.36Å; V880-Y884 HydrophobicContact CG1-CD2 4.1Å; V880-Y884 HydrophobicContact CG1-CE2 3.54Å; V880-Y884 WeakPolarHBondContact O-CD2 3.08Å; V880-Y884 PolarHBondContact O-N 2.77Å; L882-Y884 VanDerWaalsContact C-N 3.31Å; L882-Y884 PolarHBondContact O-N 2.94Å; Y884-V886 PolarHBondContact O-N 2.88Å; Y884-R887 PolarHBondContact O-N 2.7Å; Y884-Y888 WeakPolarHBondContact O-CD2 3.22Å; Y884-Y888 PolarHBondContact O-N 3.31Å
885	M	93.6	Very high	88.7	Confident	2 Å²	2	24 Å²	24	1%	0.01	12%	0.119	C	C	.	.	H	α-helix	trans	-62.8	-41.3	179	-73.2	-173.9	-61.5	0	0	112.8	T844 P845 Y848 I872 F876 E881 L882 R887 Y888 A889	T844-M885 HydrophobicContact CG2-SD 3.66Å; P845-M885 HydrophobicContact CB-CG 4.22Å; P845-M885 HydrophobicContact CG-CG 4.27Å; P845-M885 HydrophobicContact CG-SD 4.33Å; Y848-M885 HydrophobicContact CD1-CB 3.6Å; Y848-M885 HydrophobicContact CD1-CG 3.83Å; Y848-M885 VanDerWaalsContact CD1-O 3.3Å; Y848-M885 WeakPolarHBondContact CD1-O 3.23Å; Y848-M885 HydrophobicContact CD2-CG 3.99Å; Y848-M885 HydrophobicContact CD2-SD 4Å; Y848-M885 HydrophobicContact CE1-CB 3.78Å; Y848-M885 HydrophobicContact CE1-CG 4.2Å; Y848-M885 HydrophobicContact CE2-CG 4.35Å; Y848-M885 HydrophobicContact CE2-SD 3.95Å; Y848-M885 HydrophobicContact CG-CB 4.04Å; Y848-M885 HydrophobicContact CG-CG 3.7Å; Y848-M885 HydrophobicContact CG-SD 4.33Å; I872-M885 HydrophobicContact CG2-CE 4.01Å; F876-M885 HydrophobicContact CB-CE 4.09Å; F876-M885 HydrophobicContact CD1-CE 3.81Å; F876-M885 HydrophobicContact CD2-CE 3.57Å; F876-M885 HydrophobicContact CE1-CE 4.08Å; F876-M885 HydrophobicContact CE2-CE 3.85Å; F876-M885 HydrophobicContact CE2-SD 4.37Å; F876-M885 HydrophobicContact CG-CE 3.55Å; F876-M885 HydrophobicContact CZ-CE 4.11Å; F876-M885 HydrophobicContact CZ-SD 4.43Å; E881-M885 WeakPolarHBondContact O-CG 3.31Å; E881-M885 PolarHBondContact O-N 2.81Å; E881-M885 VanDerWaalsContact O-N 3.16Å; L882-M885 HydrophobicContact CD1-CE 4Å; L882-M885 PolarHBondContact O-N 3.4Å; L882-M885 VanDerWaalsContact O-N 3.12Å; M885-R887 VanDerWaalsContact C-N 3.32Å; M885-R887 PolarHBondContact O-N 2.94Å; M885-Y888 PolarHBondContact O-N 3.18Å; M885-A889 WeakPolarHBondContact O-CB 3.4Å; M885-A889 PolarHBondContact O-N 3.03Å
886	V	94.6	Very high	89.2	Confident	1 Å²	1	27.3 Å²	27.3	1%	0.006	14%	0.14	C	C	.	.	H	α-helix	trans	-59.8	-43.9	175.9	173.5	0	0	0	0	111	W869 L882 Y884 A889 T890 V918 F919 Q922	W869-V886 HydrophobicContact CH2-CG2 3.76Å; W869-V886 HydrophobicContact CZ3-CG2 4.07Å; L882-V886 WeakPolarHBondContact O-CG2 3.34Å; L882-V886 PolarHBondContact O-N 3.16Å; Y884-V886 PolarHBondContact O-N 2.88Å; V886-A889 PolarHBondContact O-N 2.88Å; V886-T890 PolarHBondContact O-N 2.84Å; V886-T890 PolarHBondContact O-OG1 2.88Å; V886-V918 HydrophobicContact CB-CG1 4.12Å; V886-V918 HydrophobicContact CG1-CG1 4.01Å; V886-F919 HydrophobicContact CB-CZ 4.38Å; V886-F919 HydrophobicContact CG1-CD1 3.99Å; V886-F919 HydrophobicContact CG1-CD2 4.41Å; V886-F919 HydrophobicContact CG1-CE1 3.68Å; V886-F919 HydrophobicContact CG1-CE2 4.13Å; V886-F919 HydrophobicContact CG1-CG 4.34Å; V886-F919 HydrophobicContact CG1-CZ 3.75Å; V886-F919 HydrophobicContact CG2-CE1 4.39Å; V886-F919 HydrophobicContact CG2-CE2 3.73Å; V886-F919 HydrophobicContact CG2-CZ 3.62Å; V886-Q922 HydrophobicContact CG1-CG 4.18Å
887	R	93.5	Very high	89.8	Confident	13 Å²	13	36.6 Å²	36.6	5%	0.049	17%	0.174	C	C	.	.	H	α-helix	trans	-65.1	-47.1	178.6	-63.7	162.7	-167.9	-62.8	12.5	112.3	I8 D883 Y884 M885 A889 T890 K891 V918 E921 Q922	I8-R887 VanDerWaalsContact CD1-CZ 3.41Å; D883-R887 VanDerWaalsContact O-CD 3.3Å; D883-R887 WeakPolarHBondContact O-CD 3.21Å; D883-R887 WeakPolarHBondContact O-CG 3.43Å; D883-R887 PolarHBondContact O-N 2.71Å; D883-R887 PolarHBondContact O-NE 2.71Å; Y884-R887 PolarHBondContact O-N 2.7Å; M885-R887 VanDerWaalsContact C-N 3.32Å; M885-R887 PolarHBondContact O-N 2.94Å; R887-A889 VanDerWaalsContact C-N 3.29Å; R887-A889 PolarHBondContact O-N 2.76Å; R887-T890 CarbonylContact O-C 3.6Å; R887-T890 PolarHBondContact O-N 2.82Å; R887-T890 VanDerWaalsContact O-N 3.13Å; R887-T890 PolarHBondContact O-OG1 3.18Å; R887-K891 WeakPolarHBondContact O-CA 3.39Å; R887-K891 PolarHBondContact O-N 2.72Å; R887-V918 HydrophobicContact CG-CG1 3.81Å; R887-E921 IonicContact CZ-OE2 2.68Å; R887-E921 IonicContact NH1-OE2 3.22Å; R887-E921 PolarHBondContact NH1-OE2 2.9Å; R887-E921 IonicContact NH2-OE2 3.86Å; R887-E921 PolarHBondContact NH2-OE2 3.38Å; R887-Q922 HydrophobicContact CG-CG 4.04Å
888	Y	95.7	Very high	90.8	Very high	18 Å²	18	32.2 Å²	32.2	7%	0.071	16%	0.161	C	C	.	.	H	α-helix	trans	-63.3	-34.9	176.9	-64.4	-46.5	0	0	0	112.7	P6 Q849 S852 Y884 M885 T890	P6-Y888 HydrophobicContact CB-CE1 4.32Å; P6-Y888 WeakPolarHBondContact CD-OH 3.32Å; P6-Y888 HydrophobicContact CG-CE1 4.1Å; Q849-Y888 HydrophobicContact CB-CD1 4.36Å; Q849-Y888 HydrophobicContact CB-CD2 4Å; Q849-Y888 HydrophobicContact CB-CE1 4Å; Q849-Y888 HydrophobicContact CB-CE2 3.59Å; Q849-Y888 HydrophobicContact CB-CG 4.39Å; Q849-Y888 HydrophobicContact CG-CD1 4.46Å; Q849-Y888 HydrophobicContact CG-CE1 3.77Å; Q849-Y888 HydrophobicContact CG-CE2 4.13Å; S852-Y888 VanDerWaalsContact CB-O 3.24Å; S852-Y888 WeakPolarHBondContact CB-O 3.31Å; Y884-Y888 WeakPolarHBondContact O-CD2 3.22Å; Y884-Y888 PolarHBondContact O-N 3.31Å; M885-Y888 PolarHBondContact O-N 3.18Å; Y888-T890 VanDerWaalsContact C-N 3.27Å; Y888-T890 PolarHBondContact O-N 2.84Å
889	A	97.2	Very high	92	Very high	6 Å²	6	31.5 Å²	31.5	5%	0.05	16%	0.157	C	C	.	.	H	α-helix	trans	-68.5	-22.9	175.7	0	0	0	0	0	113.9	Y848 L861 W862 T865 M885 V886 R887	Y848-A889 HydrophobicContact CD1-CB 4.47Å; Y848-A889 HydrophobicContact CE1-CB 4.25Å; L861-A889 HydrophobicContact CG-CB 4.21Å; W862-A889 HydrophobicContact CE3-CB 4.2Å; T865-A889 HydrophobicContact CG2-CB 4.35Å; T865-A889 WeakPolarHBondContact OG1-CB 3.01Å; M885-A889 WeakPolarHBondContact O-CB 3.4Å; M885-A889 PolarHBondContact O-N 3.03Å; V886-A889 PolarHBondContact O-N 2.88Å; R887-A889 VanDerWaalsContact C-N 3.29Å; R887-A889 PolarHBondContact O-N 2.76Å
890	T	96.6	Very high	93.1	Very high	5 Å²	5	36.2 Å²	36.2	3%	0.031	18%	0.179	C	C	.	.	H	α-helix	trans	-110.9	-4.2	-179.3	49	0	0	0	0	114.1	W862 V886 R887 Y888 A892 F893 V902 Q922	W862-T890 HydrophobicContact CE3-CG2 3.82Å; W862-T890 HydrophobicContact CZ3-CG2 3.82Å; V886-T890 PolarHBondContact O-N 2.84Å; V886-T890 PolarHBondContact O-OG1 2.88Å; R887-T890 CarbonylContact O-C 3.6Å; R887-T890 PolarHBondContact O-N 2.82Å; R887-T890 VanDerWaalsContact O-N 3.13Å; R887-T890 PolarHBondContact O-OG1 3.18Å; Y888-T890 VanDerWaalsContact C-N 3.27Å; Y888-T890 PolarHBondContact O-N 2.84Å; T890-A892 PolarHBondContact O-N 3.01Å; T890-F893 HydrophobicContact CG2-CD2 3.95Å; T890-F893 HydrophobicContact CG2-CE2 4.12Å; T890-F893 VanDerWaalsContact O-CB 3.3Å; T890-F893 WeakPolarHBondContact O-CB 3.24Å; T890-F893 PolarHBondContact O-N 2.95Å; T890-V902 HydrophobicContact CG2-CG2 3.96Å; T890-Q922 HydrophobicContact CG2-CB 4.39Å; T890-Q922 WeakPolarHBondContact OG1-CB 3.38Å; T890-Q922 VanDerWaalsContact OG1-CG 3.3Å; T890-Q922 WeakPolarHBondContact OG1-CG 3.23Å; T890-Q922 PolarHBondContact OG1-OE1 3.27Å; T890-Q922 VanDerWaalsContact OG1-OE1 3.12Å
891	K	92.9	Very high	94	Very high	43 Å²	43	37 Å²	37	19%	0.187	18%	0.184	C	C	.	.	T	Hydrogen-bonded Turn	trans	-44.7	-32	-173.9	-178.8	174.9	176.9	175	0	116.1	E725 L729 N853 R887	E725-K891 WeakPolarHBondContact OE1-CE 3.36Å; E725-K891 IonicContact OE1-NZ 2.91Å; E725-K891 PolarHBondContact OE1-NZ 3.02Å; L729-K891 HydrophobicContact CD1-CD 4.38Å; L729-K891 HydrophobicContact CD1-CG 3.92Å; L729-K891 HydrophobicContact CD2-CD 4.41Å; L729-K891 HydrophobicContact CD2-CG 4.06Å; N853-K891 PolarHBondContact OD1-NZ 3.33Å; R887-K891 WeakPolarHBondContact O-CA 3.39Å; R887-K891 PolarHBondContact O-N 2.72Å
892	A	91.7	Very high	94.6	Very high	24 Å²	24	36.7 Å²	36.7	20%	0.198	18%	0.182	C	C	.	.	T	Hydrogen-bonded Turn	trans	-108.8	11.6	-176.4	0	0	0	0	0	114.5	L729 R858 T890	L729-A892 HydrophobicContact CD2-CB 4.26Å; R858-A892 HydrophobicContact CB-CB 4.47Å; R858-A892 HydrophobicContact CG-CB 4.13Å; T890-A892 PolarHBondContact O-N 3.01Å
893	F	96.4	Very high	95.1	Very high	22 Å²	22	40.4 Å²	40.4	10%	0.096	20%	0.199	C	C	.	.			trans	-80.6	125.5	-176.6	-76	10.6	0	0	0	110.8	W862 T890 T898 V902 I926 N929	W862-F893 HydrophobicContact CB-CE1 4.3Å; W862-F893 HydrophobicContact CB-CE2 4.26Å; W862-F893 HydrophobicContact CB-CZ 3.52Å; W862-F893 AromaticContact CD1-CZ 3.74Å; W862-F893 AromaticContact CD2-CE2 3.94Å; W862-F893 HydrophobicContact CD2-CE2 3.94Å; W862-F893 HydrophobicContact CD2-CZ 4.1Å; W862-F893 HydrophobicContact CE3-CE2 4.46Å; W862-F893 AromaticContact CG-CE2 3.82Å; W862-F893 HydrophobicContact CG-CE2 3.82Å; W862-F893 AromaticContact CG-CZ 3.48Å; W862-F893 HydrophobicContact CG-CZ 3.48Å; W862-F893 VanDerWaalsContact CG-CZ 3.48Å; T890-F893 HydrophobicContact CG2-CD2 3.95Å; T890-F893 HydrophobicContact CG2-CE2 4.12Å; T890-F893 VanDerWaalsContact O-CB 3.3Å; T890-F893 WeakPolarHBondContact O-CB 3.24Å; T890-F893 PolarHBondContact O-N 2.95Å; F893-T898 HydrophobicContact CB-CG2 4.24Å; F893-T898 HydrophobicContact CD1-CG2 3.65Å; F893-T898 HydrophobicContact CD2-CG2 3.96Å; F893-T898 HydrophobicContact CE1-CG2 3.85Å; F893-T898 HydrophobicContact CE2-CG2 4.13Å; F893-T898 HydrophobicContact CG-CG2 3.69Å; F893-T898 HydrophobicContact CZ-CG2 4.06Å; F893-V902 HydrophobicContact CD2-CG2 3.83Å; F893-V902 HydrophobicContact CE2-CG2 3.83Å; F893-I926 HydrophobicContact CB-CB 4.5Å; F893-I926 HydrophobicContact CB-CD1 3.58Å; F893-I926 HydrophobicContact CB-CG1 3.5Å; F893-I926 VanDerWaalsContact CB-CG1 3.5Å; F893-I926 HydrophobicContact CB-CG2 4.21Å; F893-I926 HydrophobicContact CD2-CD1 3.76Å; F893-I926 HydrophobicContact CG-CD1 4.19Å; F893-N929 PolarHBondContact O-ND2 3.33Å; F893-N929 VanDerWaalsContact O-ND2 3.13Å
894	K	95.4	Very high	95.5	Very high	23 Å²	23	42.1 Å²	42.1	10%	0.1	22%	0.217	C	C	.	.			trans	-155.3	20.6	-168.7	63.4	-173.5	174.3	-174.9	0	113.9	L729 M730 S732 T898 N929 I930	L729-K894 PolarHBondContact O-NZ 2.87Å; M730-K894 HydrophobicContact CE-CB 3.98Å; M730-K894 HydrophobicContact CE-CD 4.09Å; M730-K894 PolarHBondContact O-NZ 2.81Å; M730-K894 HydrophobicContact SD-CB 4.4Å; M730-K894 HydrophobicContact SD-CD 4.24Å; S732-K894 PolarHBondContact O-NZ 2.84Å; K894-T898 PolarHBondContact N-OG1 3.19Å; K894-N929 HydrophobicContact CB-CB 3.71Å; K894-I930 VanDerWaalsContact C-CG1 3.48Å; K894-I930 WeakPolarHBondContact O-CG1 3.49Å
895	T	95.9	Very high	95.8	Very high	65 Å²	65	41.6 Å²	41.6	40%	0.399	22%	0.215	S	C	.	.	S	Bend	trans	-131.7	152.6	-178.5	73.1	0	0	0	0	111	R897 T898 L899 I930	T895-R897 VanDerWaalsContact C-N 3.27Å; T895-R897 PolarHBondContact O-N 2.83Å; T895-T898 WeakPolarHBondContact CA-OG1 3.44Å; T895-T898 PolarHBondContact N-OG1 3.21Å; T895-T898 PolarHBondContact O-N 2.86Å; T895-T898 PolarHBondContact O-OG1 2.89Å; T895-T898 PolarHBondContact OG1-N 2.8Å; T895-T898 VanDerWaalsContact OG1-N 3.14Å; T895-T898 PolarHBondContact OG1-OG1 2.72Å; T895-L899 PolarHBondContact O-N 2.9Å; T895-I930 VanDerWaalsContact C-CD1 3.49Å
896	V	97.4	Very high	95.8	Very high	80 Å²	80	43 Å²	43	49%	0.485	22%	0.224	S	C	.	.	H	α-helix	trans	-54.2	-45.2	176	-179.1	0	0	0	0	110.9	T898 L899 E900 I930	V896-T898 VanDerWaalsContact C-N 3.33Å; V896-T898 PolarHBondContact O-N 2.79Å; V896-L899 WeakPolarHBondContact O-CA 3.49Å; V896-L899 WeakPolarHBondContact O-CB 3.38Å; V896-L899 PolarHBondContact O-N 2.88Å; V896-E900 HydrophobicContact CG1-CG 4.31Å; V896-E900 WeakPolarHBondContact O-CG 3.26Å; V896-E900 PolarHBondContact O-N 2.93Å; V896-I930 HydrophobicContact CG2-CD1 4.35Å; V896-I930 HydrophobicContact CG2-CG2 4.49Å
897	R	96.8	Very high	95.8	Very high	196 Å²	196	48.5 Å²	48.5	74%	0.74	26%	0.258	S	S	*	.	H	α-helix	trans	-57.1	-42	175.8	-174.5	180	178.1	-170	-0.8	113.1	T895 E900 T901	T895-R897 VanDerWaalsContact C-N 3.27Å; T895-R897 PolarHBondContact O-N 2.83Å; R897-E900 WeakPolarHBondContact CA-OE2 3.3Å; R897-T901 WeakPolarHBondContact O-CG2 3.4Å; R897-T901 PolarHBondContact O-N 3.42Å; R897-T901 VanDerWaalsContact O-N 3.14Å
898	T	96.6	Very high	95.7	Very high	27 Å²	27	50.5 Å²	50.5	17%	0.166	28%	0.283	C	S	.	.	H	α-helix	trans	-67.4	-39.2	175.9	41.7	0	0	0	0	112	F893 K894 T895 V896 T901 V902	F893-T898 HydrophobicContact CB-CG2 4.24Å; F893-T898 HydrophobicContact CD1-CG2 3.65Å; F893-T898 HydrophobicContact CD2-CG2 3.96Å; F893-T898 HydrophobicContact CE1-CG2 3.85Å; F893-T898 HydrophobicContact CE2-CG2 4.13Å; F893-T898 HydrophobicContact CG-CG2 3.69Å; F893-T898 HydrophobicContact CZ-CG2 4.06Å; K894-T898 PolarHBondContact N-OG1 3.19Å; T895-T898 WeakPolarHBondContact CA-OG1 3.44Å; T895-T898 PolarHBondContact N-OG1 3.21Å; T895-T898 PolarHBondContact O-N 2.86Å; T895-T898 PolarHBondContact O-OG1 2.89Å; T895-T898 PolarHBondContact OG1-N 2.8Å; T895-T898 VanDerWaalsContact OG1-N 3.14Å; T895-T898 PolarHBondContact OG1-OG1 2.72Å; V896-T898 VanDerWaalsContact C-N 3.33Å; V896-T898 PolarHBondContact O-N 2.79Å; T898-T901 PolarHBondContact O-N 2.74Å; T898-T901 PolarHBondContact O-OG1 2.88Å; T898-V902 PolarHBondContact O-N 3Å
899	L	97.6	Very high	95.1	Very high	21 Å²	21	53.2 Å²	53.2	11%	0.11	32%	0.316	C	S	.	.	H	α-helix	trans	-59.8	-50.8	174.4	-178.3	63.4	0	0	0	110.9	T895 V896 T901 V902 Q903 L923 I926 I930	T895-L899 PolarHBondContact O-N 2.9Å; V896-L899 WeakPolarHBondContact O-CA 3.49Å; V896-L899 WeakPolarHBondContact O-CB 3.38Å; V896-L899 PolarHBondContact O-N 2.88Å; L899-T901 VanDerWaalsContact C-N 3.31Å; L899-T901 PolarHBondContact O-N 2.77Å; L899-V902 PolarHBondContact O-N 3.33Å; L899-V902 VanDerWaalsContact O-N 3.1Å; L899-Q903 HydrophobicContact CD1-CG 4.4Å; L899-Q903 HydrophobicContact CG-CG 4.33Å; L899-Q903 WeakPolarHBondContact O-CG 3.38Å; L899-Q903 PolarHBondContact O-N 3.4Å; L899-L923 HydrophobicContact CD1-CB 4.46Å; L899-L923 HydrophobicContact CD1-CD2 3.87Å; L899-L923 VanDerWaalsContact CD1-O 3.29Å; L899-L923 WeakPolarHBondContact CD1-O 3.38Å; L899-I926 HydrophobicContact CB-CG2 3.76Å; L899-I926 HydrophobicContact CD1-CB 4.1Å; L899-I926 HydrophobicContact CD1-CG2 4.18Å; L899-I930 HydrophobicContact CB-CD1 4.09Å; L899-I930 HydrophobicContact CD2-CD1 4.05Å
900	E	97.9	Very high	94.5	Very high	108 Å²	108	56.6 Å²	56.6	51%	0.505	33%	0.33	S	S	.	.	H	α-helix	trans	-54.3	-43	177.2	-70.7	168.2	162.7	0	0	112.2	V896 R897 V902 Q903 A904	V896-E900 HydrophobicContact CG1-CG 4.31Å; V896-E900 WeakPolarHBondContact O-CG 3.26Å; V896-E900 PolarHBondContact O-N 2.93Å; R897-E900 WeakPolarHBondContact CA-OE2 3.3Å; E900-V902 VanDerWaalsContact C-N 3.34Å; E900-V902 PolarHBondContact O-N 3.27Å; E900-Q903 PolarHBondContact O-N 2.76Å; E900-A904 WeakPolarHBondContact O-CB 3.17Å; E900-A904 PolarHBondContact O-N 3.17Å
901	T	97.3	Very high	94	Very high	57 Å²	57	60.7 Å²	60.7	35%	0.35	35%	0.351	S	S	.	.	H	α-helix	trans	-65.2	-34.8	178.8	57.7	0	0	0	0	113.5	R897 T898 L899 F905	R897-T901 WeakPolarHBondContact O-CG2 3.4Å; R897-T901 PolarHBondContact O-N 3.42Å; R897-T901 VanDerWaalsContact O-N 3.14Å; T898-T901 PolarHBondContact O-N 2.74Å; T898-T901 PolarHBondContact O-OG1 2.88Å; L899-T901 VanDerWaalsContact C-N 3.31Å; L899-T901 PolarHBondContact O-N 2.77Å; T901-F905 WeakPolarHBondContact O-CB 3.48Å; T901-F905 PolarHBondContact O-N 3.21Å
902	V	97.1	Very high	93.7	Very high	0 Å²	0	59.4 Å²	59.4	0%	0	35%	0.346	C	S	.	.	H	α-helix	trans	-75.7	-37	174.5	-175.8	0	0	0	0	110.1	W862 T890 F893 T898 L899 E900 F905 V906 F919 L923 I926	W862-V902 HydrophobicContact CH2-CB 4.33Å; W862-V902 HydrophobicContact CH2-CG1 4.22Å; W862-V902 HydrophobicContact CH2-CG2 3.86Å; W862-V902 HydrophobicContact CZ2-CB 4.33Å; W862-V902 HydrophobicContact CZ2-CG2 3.8Å; W862-V902 HydrophobicContact CZ3-CG2 4.32Å; T890-V902 HydrophobicContact CG2-CG2 3.96Å; F893-V902 HydrophobicContact CD2-CG2 3.83Å; F893-V902 HydrophobicContact CE2-CG2 3.83Å; T898-V902 PolarHBondContact O-N 3Å; L899-V902 PolarHBondContact O-N 3.33Å; L899-V902 VanDerWaalsContact O-N 3.1Å; E900-V902 VanDerWaalsContact C-N 3.34Å; E900-V902 PolarHBondContact O-N 3.27Å; V902-F905 WeakPolarHBondContact O-CB 3.38Å; V902-F905 PolarHBondContact O-N 3.39Å; V902-V906 HydrophobicContact CG1-CG2 4.34Å; V902-V906 VanDerWaalsContact O-CG2 3.29Å; V902-V906 WeakPolarHBondContact O-CG2 3.43Å; V902-V906 PolarHBondContact O-N 3.32Å; V902-F919 HydrophobicContact CG1-CD1 4.25Å; V902-L923 HydrophobicContact CB-CD2 3.7Å; V902-L923 HydrophobicContact CB-CG 4.47Å; V902-L923 HydrophobicContact CG1-CD2 3.56Å; V902-L923 HydrophobicContact CG1-CG 3.8Å; V902-I926 HydrophobicContact CB-CD1 4.46Å; V902-I926 HydrophobicContact CG2-CD1 3.89Å
903	Q	96.7	Very high	93.1	Very high	78 Å²	78	59.5 Å²	59.5	36%	0.364	35%	0.347	S	S	.	.	H	α-helix	trans	-63.1	-45.9	176.9	-72.8	179	-20.5	0	0	111.6	L899 E900 F905 V906 T907 L923	L899-Q903 HydrophobicContact CD1-CG 4.4Å; L899-Q903 HydrophobicContact CG-CG 4.33Å; L899-Q903 WeakPolarHBondContact O-CG 3.38Å; L899-Q903 PolarHBondContact O-N 3.4Å; E900-Q903 PolarHBondContact O-N 2.76Å; Q903-F905 VanDerWaalsContact C-N 3.3Å; Q903-F905 PolarHBondContact O-N 3.34Å; Q903-V906 PolarHBondContact O-N 2.82Å; Q903-T907 WeakPolarHBondContact O-CB 3.25Å; Q903-T907 WeakPolarHBondContact O-CG2 3.37Å; Q903-T907 PolarHBondContact O-N 3.02Å; Q903-T907 PolarHBondContact O-OG1 2.88Å; Q903-L923 HydrophobicContact CB-CD2 4.16Å; Q903-L923 HydrophobicContact CG-CD2 3.34Å
904	A	96.1	Very high	92	Very high	61 Å²	61	59.3 Å²	59.3	50%	0.504	35%	0.348	S	S	.	.	H	α-helix	trans	-63.4	-36.6	175.6	0	0	0	0	0	111.8	E900 G908	E900-A904 WeakPolarHBondContact O-CB 3.17Å; E900-A904 PolarHBondContact O-N 3.17Å; A904-G908 WeakPolarHBondContact O-CA 3.2Å; A904-G908 PolarHBondContact O-N 2.87Å
905	F	95.8	Very high	91.4	Very high	23 Å²	23	58.2 Å²	58.2	10%	0.101	34%	0.343	C	S	.	.	H	α-helix	trans	-66.2	-43.8	175.8	-174.5	-94.9	0	0	0	112.6	W862 T866 W869 T901 V902 Q903 K910 L912 F919	W862-F905 HydrophobicContact CH2-CB 4.11Å; W862-F905 AromaticContact CH2-CD1 3.99Å; W862-F905 HydrophobicContact CH2-CD1 3.99Å; W862-F905 AromaticContact CH2-CG 3.98Å; W862-F905 HydrophobicContact CH2-CG 3.98Å; W862-F905 HydrophobicContact CZ2-CB 3.91Å; W862-F905 HydrophobicContact CZ2-CG 4.09Å; T866-F905 HydrophobicContact CG2-CD2 3.67Å; T866-F905 HydrophobicContact CG2-CE2 3.81Å; T866-F905 HydrophobicContact CG2-CG 4.37Å; W869-F905 HydrophobicContact CB-CE2 4.41Å; W869-F905 HydrophobicContact CB-CZ 4.19Å; W869-F905 AromaticContact CD1-CZ 3.75Å; W869-F905 HydrophobicContact CD2-CE1 4.23Å; W869-F905 AromaticContact CD2-CZ 3.55Å; W869-F905 HydrophobicContact CD2-CZ 3.55Å; W869-F905 AromaticContact CE2-CZ 3.72Å; W869-F905 HydrophobicContact CE3-CZ 4.13Å; W869-F905 HydrophobicContact CG-CE2 4.22Å; W869-F905 AromaticContact CG-CZ 3.56Å; W869-F905 HydrophobicContact CG-CZ 3.56Å; W869-F905 HydrophobicContact CZ2-CE1 4.33Å; W869-F905 HydrophobicContact CZ2-CZ 4.43Å; W869-F905 AromaticContact NE1-CZ 3.8Å; T901-F905 WeakPolarHBondContact O-CB 3.48Å; T901-F905 PolarHBondContact O-N 3.21Å; V902-F905 WeakPolarHBondContact O-CB 3.38Å; V902-F905 PolarHBondContact O-N 3.39Å; Q903-F905 VanDerWaalsContact C-N 3.3Å; Q903-F905 PolarHBondContact O-N 3.34Å; F905-K910 HydrophobicContact CE2-CG 4.16Å; F905-K910 HydrophobicContact CZ-CB 4.39Å; F905-K910 HydrophobicContact CZ-CG 4.35Å; F905-L912 HydrophobicContact CD1-CD2 4.26Å; F905-L912 HydrophobicContact CE1-CD2 3.75Å; F905-F919 HydrophobicContact CD1-CD1 4.38Å; F905-F919 AromaticContact CD1-CE1 3.72Å; F905-F919 HydrophobicContact CD1-CE1 3.72Å; F905-F919 AromaticContact CD1-CZ 3.96Å; F905-F919 HydrophobicContact CD1-CZ 3.96Å; F905-F919 AromaticContact CE1-CE1 3.79Å; F905-F919 HydrophobicContact CE1-CE1 3.79Å; F905-F919 HydrophobicContact CE1-CE2 4.24Å; F905-F919 AromaticContact CE1-CZ 3.52Å; F905-F919 HydrophobicContact CE1-CZ 3.52Å
906	V	93.5	Very high	90.8	Very high	32 Å²	32	61 Å²	61	19%	0.194	35%	0.35	C	S	.	.	H	α-helix	trans	-71	-36.1	-179.9	171.4	0	0	0	0	112.5	V902 Q903 L912 F919 L923	V902-V906 HydrophobicContact CG1-CG2 4.34Å; V902-V906 VanDerWaalsContact O-CG2 3.29Å; V902-V906 WeakPolarHBondContact O-CG2 3.43Å; V902-V906 PolarHBondContact O-N 3.32Å; Q903-V906 PolarHBondContact O-N 2.82Å; V906-L912 HydrophobicContact CB-CD1 4.41Å; V906-L912 HydrophobicContact CG1-CD1 4.05Å; V906-L912 HydrophobicContact CG2-CD1 4.3Å; V906-F919 HydrophobicContact CG2-CB 3.65Å; V906-F919 HydrophobicContact CG2-CD1 3.62Å; V906-F919 HydrophobicContact CG2-CG 3.8Å; V906-L923 HydrophobicContact CB-CD1 4.38Å; V906-L923 HydrophobicContact CG1-CD1 4.37Å; V906-L923 HydrophobicContact CG2-CD1 4.19Å
907	T	93.4	Very high	90	Very high	116 Å²	116	59 Å²	59	71%	0.712	34%	0.335	S	S	*	.	H	α-helix	trans	-85.7	-22.5	179.5	54.4	0	0	0	0	113.5	Q903 G909	Q903-T907 WeakPolarHBondContact O-CB 3.25Å; Q903-T907 WeakPolarHBondContact O-CG2 3.37Å; Q903-T907 PolarHBondContact O-N 3.02Å; Q903-T907 PolarHBondContact O-OG1 2.88Å; T907-G909 PolarHBondContact O-N 3.02Å
908	G	91.2	Very high	89.5	Confident	56 Å²	56	49.8 Å²	49.8	58%	0.577	30%	0.301	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.5	21.6	-177.5	0	0	0	0	0	116.9	A904 K910	A904-G908 WeakPolarHBondContact O-CA 3.2Å; A904-G908 PolarHBondContact O-N 2.87Å; G908-K910 PolarHBondContact O-N 2.8Å; G908-K910 VanDerWaalsContact O-N 3.14Å
909	G	84.2	Confident	89.3	Confident	74 Å²	74	48.6 Å²	48.6	76%	0.763	29%	0.294	S	S	*	.	T	Hydrogen-bonded Turn	trans	69.4	8.2	172.8	0	0	0	0	0	116.2	T907	T907-G909 PolarHBondContact O-N 3.02Å
910	K	85	Confident	88.9	Confident	78 Å²	78	49.7 Å²	49.7	34%	0.339	30%	0.299	S	S	.	.			trans	-63.2	145.8	173.7	-80.4	-62.5	-160.9	178.2	0	111	D870 F905 G908 L912	D870-K910 IonicContact OD1-NZ 3.53Å; D870-K910 PolarHBondContact OD1-NZ 3.07Å; D870-K910 IonicContact OD2-NZ 3.35Å; D870-K910 PolarHBondContact OD2-NZ 3.26Å; F905-K910 HydrophobicContact CE2-CG 4.16Å; F905-K910 HydrophobicContact CZ-CB 4.39Å; F905-K910 HydrophobicContact CZ-CG 4.35Å; G908-K910 PolarHBondContact O-N 2.8Å; G908-K910 VanDerWaalsContact O-N 3.14Å; K910-L912 HydrophobicContact CB-CD2 4.33Å; K910-L912 PolarHBondContact O-N 2.83Å
911	N	85.8	Confident	88.4	Confident	90 Å²	90	44.9 Å²	44.9	48%	0.481	28%	0.277	S	S	.	.			trans	-70.1	117	170.7	-178.7	10.7	0	0	0	109.4	W869 I873 A913	W869-N911 PolarHBondContact NE1-O 3.16Å; I873-N911 WeakPolarHBondContact CD1-O 3.35Å; N911-A913 PolarHBondContact OD1-N 3.21Å
912	L	85.8	Confident	88.1	Confident	16 Å²	16	42.6 Å²	42.6	8%	0.084	26%	0.262	C	S	.	.			trans	-99.6	-1.1	179.9	-52.3	-177.7	0	0	0	113.5	W869 F905 V906 K910 S915 K916 F919	W869-L912 HydrophobicContact CZ2-CD2 4.44Å; F905-L912 HydrophobicContact CD1-CD2 4.26Å; F905-L912 HydrophobicContact CE1-CD2 3.75Å; V906-L912 HydrophobicContact CB-CD1 4.41Å; V906-L912 HydrophobicContact CG1-CD1 4.05Å; V906-L912 HydrophobicContact CG2-CD1 4.3Å; K910-L912 HydrophobicContact CB-CD2 4.33Å; K910-L912 PolarHBondContact O-N 2.83Å; L912-S915 WeakPolarHBondContact O-CB 3.4Å; L912-S915 PolarHBondContact O-N 2.84Å; L912-S915 VanDerWaalsContact O-N 3.17Å; L912-K916 HydrophobicContact CB-CB 4.22Å; L912-K916 HydrophobicContact CD1-CB 4.43Å; L912-K916 HydrophobicContact CD1-CG 4.4Å; L912-K916 PolarHBondContact O-N 2.81Å; L912-F919 HydrophobicContact CB-CD2 4.13Å; L912-F919 HydrophobicContact CB-CE2 4.45Å; L912-F919 HydrophobicContact CD1-CB 4.36Å; L912-F919 HydrophobicContact CD1-CD2 4.08Å; L912-F919 HydrophobicContact CD1-CG 4.33Å; L912-F919 HydrophobicContact CD2-CD2 3.95Å; L912-F919 HydrophobicContact CD2-CE2 3.87Å; L912-F919 HydrophobicContact CD2-CZ 4.43Å; L912-F919 HydrophobicContact CG-CD2 4.27Å
913	A	79.3	Confident	88	Confident	26 Å²	26	44 Å²	44	22%	0.215	27%	0.269	C	S	.	.	G	3₁₀ helix	trans	47.9	-143.5	-176.1	0	0	0	0	0	113.3	I873 R877 L882 N911 S915	I873-A913 HydrophobicContact CD1-CB 3.91Å; R877-A913 HydrophobicContact CB-CB 4.5Å; R877-A913 HydrophobicContact CG-CB 3.64Å; R877-A913 WeakPolarHBondContact O-CB 3.09Å; L882-A913 HydrophobicContact CD2-CB 4.38Å; N911-A913 PolarHBondContact OD1-N 3.21Å; A913-S915 PolarHBondContact O-N 3.16Å
914	S	73.5	Confident	87.7	Confident	18 Å²	18	40.6 Å²	40.6	13%	0.126	25%	0.253	C	S	.	.	G	3₁₀ helix	trans	-59.9	-33.1	173.1	56.3	0	0	0	0	112.8	D878 K916	D878-S914 WeakPolarHBondContact CA-OG 3.44Å; D878-S914 PolarHBondContact OD1-N 2.99Å; S914-K916 PolarHBondContact O-N 3.19Å
915	S	82.8	Confident	87.4	Confident	0 Å²	0	38.5 Å²	38.5	0%	0	24%	0.235	C	C	.	.	G	3₁₀ helix	trans	-67	3.1	-174.2	-54	0	0	0	0	115.2	L882 D883 L912 A913 Q917 V918 F919	L882-S915 WeakPolarHBondContact CD2-OG 3.42Å; L882-S915 VanDerWaalsContact CG-OG 3.3Å; L882-S915 WeakPolarHBondContact CG-OG 3.5Å; D883-S915 VanDerWaalsContact OD1-CA 3.31Å; D883-S915 WeakPolarHBondContact OD1-CA 3.28Å; D883-S915 WeakPolarHBondContact OD1-CB 3.34Å; D883-S915 PolarHBondContact OD1-OG 2.77Å; L912-S915 WeakPolarHBondContact O-CB 3.4Å; L912-S915 PolarHBondContact O-N 2.84Å; L912-S915 VanDerWaalsContact O-N 3.17Å; A913-S915 PolarHBondContact O-N 3.16Å; S915-Q917 PolarHBondContact O-N 3.27Å; S915-V918 CarbonylContact O-C 3.32Å; S915-V918 WeakPolarHBondContact O-CA 3.21Å; S915-V918 PolarHBondContact O-N 2.88Å; S915-F919 VanDerWaalsContact O-CD2 3.32Å; S915-F919 WeakPolarHBondContact O-CD2 3.08Å; S915-F919 PolarHBondContact O-N 2.9Å
916	K	83.7	Confident	87.4	Confident	123 Å²	123	37.5 Å²	37.5	54%	0.535	23%	0.23	S	C	.	.	H	α-helix	trans	-52.5	-38.6	169.6	179.3	172.6	178.1	176.3	0	112	L912 S914 F919 I920	L912-K916 HydrophobicContact CB-CB 4.22Å; L912-K916 HydrophobicContact CD1-CB 4.43Å; L912-K916 HydrophobicContact CD1-CG 4.4Å; L912-K916 PolarHBondContact O-N 2.81Å; S914-K916 PolarHBondContact O-N 3.19Å; K916-F919 PolarHBondContact O-N 2.94Å; K916-I920 WeakPolarHBondContact O-CG1 3.49Å; K916-I920 PolarHBondContact O-N 3.48Å; K916-I920 VanDerWaalsContact O-N 3.07Å
917	Q	79.7	Confident	87.3	Confident	38 Å²	38	39.4 Å²	39.4	18%	0.178	24%	0.237	C	C	.	.	H	α-helix	trans	-62.7	-46.5	174.7	-175.8	57.2	35.7	0	0	110.5	S470 R486 S915 F919 I920 E921	S470-Q917 PolarHBondContact OG-NE2 3.47Å; R486-Q917 HydrophobicContact CB-CB 4.36Å; R486-Q917 HydrophobicContact CG-CB 4.35Å; S915-Q917 PolarHBondContact O-N 3.27Å; Q917-F919 VanDerWaalsContact C-N 3.29Å; Q917-F919 PolarHBondContact O-N 3.13Å; Q917-I920 CarbonylContact O-C 3.27Å; Q917-I920 WeakPolarHBondContact O-CA 3.47Å; Q917-I920 WeakPolarHBondContact O-CB 3.44Å; Q917-I920 PolarHBondContact O-N 2.68Å; Q917-I920 VanDerWaalsContact O-N 3.1Å; Q917-E921 WeakPolarHBondContact O-CG 3.5Å; Q917-E921 PolarHBondContact O-N 3.1Å
918	V	87	Confident	87.2	Confident	4 Å²	4	34.3 Å²	34.3	2%	0.024	21%	0.205	C	C	.	.	H	α-helix	trans	-65.6	-30.2	178.9	177.5	0	0	0	0	113	D883 V886 R887 S915 E921 Q922	D883-V918 HydrophobicContact CB-CB 4.42Å; D883-V918 HydrophobicContact CB-CG1 4.37Å; D883-V918 HydrophobicContact CB-CG2 3.73Å; D883-V918 VanDerWaalsContact OD1-CG2 3.29Å; D883-V918 WeakPolarHBondContact OD1-CG2 3.45Å; V886-V918 HydrophobicContact CB-CG1 4.12Å; V886-V918 HydrophobicContact CG1-CG1 4.01Å; R887-V918 HydrophobicContact CG-CG1 3.81Å; S915-V918 CarbonylContact O-C 3.32Å; S915-V918 WeakPolarHBondContact O-CA 3.21Å; S915-V918 PolarHBondContact O-N 2.88Å; V918-E921 CarbonylContact O-C 3.56Å; V918-E921 PolarHBondContact O-N 3.06Å; V918-Q922 HydrophobicContact CG1-CG 4.25Å; V918-Q922 WeakPolarHBondContact O-CG 3.3Å; V918-Q922 PolarHBondContact O-N 2.59Å
919	F	92.1	Very high	87.3	Confident	1 Å²	1	32 Å²	32	0%	0.004	18%	0.179	C	C	.	.	H	α-helix	trans	-69.7	-37.1	170.9	-87.6	-68.8	0	0	0	113.5	W862 W869 V886 V902 F905 V906 L912 S915 K916 Q917 L923	W862-F919 HydrophobicContact CH2-CE1 4.09Å; W862-F919 HydrophobicContact CZ3-CE1 4.19Å; W869-F919 AromaticContact CH2-CE2 3.5Å; W869-F919 HydrophobicContact CH2-CE2 3.5Å; W869-F919 AromaticContact CH2-CZ 3.54Å; W869-F919 HydrophobicContact CH2-CZ 3.54Å; W869-F919 AromaticContact CZ2-CE2 3.63Å; W869-F919 HydrophobicContact CZ2-CE2 3.63Å; W869-F919 AromaticContact CZ2-CZ 3.9Å; W869-F919 HydrophobicContact CZ2-CZ 3.9Å; W869-F919 HydrophobicContact CZ3-CE2 4.48Å; W869-F919 HydrophobicContact CZ3-CZ 4.1Å; V886-F919 HydrophobicContact CB-CZ 4.38Å; V886-F919 HydrophobicContact CG1-CD1 3.99Å; V886-F919 HydrophobicContact CG1-CD2 4.41Å; V886-F919 HydrophobicContact CG1-CE1 3.68Å; V886-F919 HydrophobicContact CG1-CE2 4.13Å; V886-F919 HydrophobicContact CG1-CG 4.34Å; V886-F919 HydrophobicContact CG1-CZ 3.75Å; V886-F919 HydrophobicContact CG2-CE1 4.39Å; V886-F919 HydrophobicContact CG2-CE2 3.73Å; V886-F919 HydrophobicContact CG2-CZ 3.62Å; V902-F919 HydrophobicContact CG1-CD1 4.25Å; F905-F919 HydrophobicContact CD1-CD1 4.38Å; F905-F919 AromaticContact CD1-CE1 3.72Å; F905-F919 HydrophobicContact CD1-CE1 3.72Å; F905-F919 AromaticContact CD1-CZ 3.96Å; F905-F919 HydrophobicContact CD1-CZ 3.96Å; F905-F919 AromaticContact CE1-CE1 3.79Å; F905-F919 HydrophobicContact CE1-CE1 3.79Å; F905-F919 HydrophobicContact CE1-CE2 4.24Å; F905-F919 AromaticContact CE1-CZ 3.52Å; F905-F919 HydrophobicContact CE1-CZ 3.52Å; V906-F919 HydrophobicContact CG2-CB 3.65Å; V906-F919 HydrophobicContact CG2-CD1 3.62Å; V906-F919 HydrophobicContact CG2-CG 3.8Å; L912-F919 HydrophobicContact CB-CD2 4.13Å; L912-F919 HydrophobicContact CB-CE2 4.45Å; L912-F919 HydrophobicContact CD1-CB 4.36Å; L912-F919 HydrophobicContact CD1-CD2 4.08Å; L912-F919 HydrophobicContact CD1-CG 4.33Å; L912-F919 HydrophobicContact CD2-CD2 3.95Å; L912-F919 HydrophobicContact CD2-CE2 3.87Å; L912-F919 HydrophobicContact CD2-CZ 4.43Å; L912-F919 HydrophobicContact CG-CD2 4.27Å; S915-F919 VanDerWaalsContact O-CD2 3.32Å; S915-F919 WeakPolarHBondContact O-CD2 3.08Å; S915-F919 PolarHBondContact O-N 2.9Å; K916-F919 PolarHBondContact O-N 2.94Å; Q917-F919 VanDerWaalsContact C-N 3.29Å; Q917-F919 PolarHBondContact O-N 3.13Å; F919-L923 WeakPolarHBondContact O-CB 3.48Å; F919-L923 VanDerWaalsContact O-CG 3.27Å; F919-L923 WeakPolarHBondContact O-CG 3.45Å; F919-L923 PolarHBondContact O-N 2.79Å
920	I	88.6	Confident	87.9	Confident	45 Å²	45	29.1 Å²	29.1	23%	0.231	15%	0.146	C	C	.	.	H	α-helix	trans	-58.3	-57.3	166.5	-66.2	167.1	0	0	0	107.2	K916 Q917 Q922 L923 Q924	K916-I920 WeakPolarHBondContact O-CG1 3.49Å; K916-I920 PolarHBondContact O-N 3.48Å; K916-I920 VanDerWaalsContact O-N 3.07Å; Q917-I920 CarbonylContact O-C 3.27Å; Q917-I920 WeakPolarHBondContact O-CA 3.47Å; Q917-I920 WeakPolarHBondContact O-CB 3.44Å; Q917-I920 PolarHBondContact O-N 2.68Å; Q917-I920 VanDerWaalsContact O-N 3.1Å; I920-Q922 VanDerWaalsContact C-N 3.31Å; I920-Q922 PolarHBondContact O-N 3.48Å; I920-Q922 VanDerWaalsContact O-N 3.16Å; I920-L923 WeakPolarHBondContact O-CB 3.19Å; I920-L923 PolarHBondContact O-N 3.32Å; I920-Q924 HydrophobicContact CG2-CG 4.06Å; I920-Q924 WeakPolarHBondContact O-CB 3.44Å; I920-Q924 WeakPolarHBondContact O-CG 3.45Å; I920-Q924 PolarHBondContact O-N 2.69Å
921	E	87.2	Confident	88.3	Confident	6 Å²	6	28.5 Å²	28.5	3%	0.028	14%	0.144	C	C	.	.	H	α-helix	trans	-50.9	-43.4	179.3	-65.1	-179.9	-175.1	0	0	113.5	V10 R887 Q917 V918 Q924 T925	V10-E921 HydrophobicContact CG1-CG 4.34Å; V10-E921 HydrophobicContact CG2-CB 3.43Å; V10-E921 VanDerWaalsContact CG2-CB 3.43Å; V10-E921 HydrophobicContact CG2-CG 3.72Å; V10-E921 WeakPolarHBondContact CG2-O 3.47Å; R887-E921 IonicContact CZ-OE2 2.68Å; R887-E921 IonicContact NH1-OE2 3.22Å; R887-E921 PolarHBondContact NH1-OE2 2.9Å; R887-E921 IonicContact NH2-OE2 3.86Å; R887-E921 PolarHBondContact NH2-OE2 3.38Å; Q917-E921 WeakPolarHBondContact O-CG 3.5Å; Q917-E921 PolarHBondContact O-N 3.1Å; V918-E921 CarbonylContact O-C 3.56Å; V918-E921 PolarHBondContact O-N 3.06Å; E921-Q924 CarbonylContact O-C 3.39Å; E921-Q924 WeakPolarHBondContact O-CA 3.36Å; E921-Q924 WeakPolarHBondContact O-CB 3.39Å; E921-Q924 PolarHBondContact O-N 2.87Å; E921-T925 PolarHBondContact O-N 3.32Å; E921-T925 PolarHBondContact O-OG1 2.67Å
922	Q	92.7	Very high	88.7	Confident	10 Å²	10	24.3 Å²	24.3	5%	0.047	12%	0.121	C	C	.	.	H	α-helix	trans	-78.1	-34.5	-178.9	-63.8	-51.4	-97.2	0	0	114.6	V886 R887 T890 V918 I920 Q924 T925 I926	V886-Q922 HydrophobicContact CG1-CG 4.18Å; R887-Q922 HydrophobicContact CG-CG 4.04Å; T890-Q922 HydrophobicContact CG2-CB 4.39Å; T890-Q922 WeakPolarHBondContact OG1-CB 3.38Å; T890-Q922 VanDerWaalsContact OG1-CG 3.3Å; T890-Q922 WeakPolarHBondContact OG1-CG 3.23Å; T890-Q922 PolarHBondContact OG1-OE1 3.27Å; T890-Q922 VanDerWaalsContact OG1-OE1 3.12Å; V918-Q922 HydrophobicContact CG1-CG 4.25Å; V918-Q922 WeakPolarHBondContact O-CG 3.3Å; V918-Q922 PolarHBondContact O-N 2.59Å; I920-Q922 VanDerWaalsContact C-N 3.31Å; I920-Q922 PolarHBondContact O-N 3.48Å; I920-Q922 VanDerWaalsContact O-N 3.16Å; Q922-Q924 PolarHBondContact O-N 3.15Å; Q922-T925 PolarHBondContact NE2-OG1 2.87Å; Q922-T925 PolarHBondContact O-N 3.49Å; Q922-I926 WeakPolarHBondContact O-CD1 3.47Å; Q922-I926 WeakPolarHBondContact O-CG1 3.25Å; Q922-I926 PolarHBondContact O-N 3.36Å
923	L	94.3	Very high	89.1	Confident	29 Å²	29	25.7 Å²	25.7	15%	0.152	13%	0.131	C	C	.	.	H	α-helix	trans	-52.3	-42	162.6	-76.8	172.5	0	0	0	110.8	L899 V902 Q903 V906 F919 I920 I926 H927	L899-L923 HydrophobicContact CD1-CB 4.46Å; L899-L923 HydrophobicContact CD1-CD2 3.87Å; L899-L923 VanDerWaalsContact CD1-O 3.29Å; L899-L923 WeakPolarHBondContact CD1-O 3.38Å; V902-L923 HydrophobicContact CB-CD2 3.7Å; V902-L923 HydrophobicContact CB-CG 4.47Å; V902-L923 HydrophobicContact CG1-CD2 3.56Å; V902-L923 HydrophobicContact CG1-CG 3.8Å; Q903-L923 HydrophobicContact CB-CD2 4.16Å; Q903-L923 HydrophobicContact CG-CD2 3.34Å; V906-L923 HydrophobicContact CB-CD1 4.38Å; V906-L923 HydrophobicContact CG1-CD1 4.37Å; V906-L923 HydrophobicContact CG2-CD1 4.19Å; F919-L923 WeakPolarHBondContact O-CB 3.48Å; F919-L923 VanDerWaalsContact O-CG 3.27Å; F919-L923 WeakPolarHBondContact O-CG 3.45Å; F919-L923 PolarHBondContact O-N 2.79Å; I920-L923 WeakPolarHBondContact O-CB 3.19Å; I920-L923 PolarHBondContact O-N 3.32Å; L923-I926 PolarHBondContact O-N 2.96Å; L923-H927 PolarHBondContact O-N 2.86Å
924	Q	89.2	Confident	89.9	Confident	6 Å²	6	30.8 Å²	30.8	3%	0.028	15%	0.15	C	C	.	.	H	α-helix	trans	-72.3	-37.6	-173.4	-75.8	-152.1	25.8	0	0	111	V10 L11 E12 I920 E921 Q922 I926 H927	V10-Q924 VanDerWaalsContact CA-C 3.46Å; V10-Q924 VanDerWaalsContact CA-CB 3.47Å; V10-Q924 HydrophobicContact CB-CB 3.88Å; V10-Q924 HydrophobicContact CG1-CB 3.52Å; V10-Q924 HydrophobicContact CG1-CG 4.16Å; V10-Q924 HydrophobicContact CG2-CB 4.5Å; L11-Q924 VanDerWaalsContact C-CB 3.49Å; L11-Q924 VanDerWaalsContact C-CD 3.47Å; L11-Q924 VanDerWaalsContact CA-OE1 3.25Å; L11-Q924 PolarHBondContact N-O 3.21Å; L11-Q924 WeakPolarHBondContact O-CA 3.24Å; L11-Q924 WeakPolarHBondContact O-CG 3.4Å; E12-Q924 VanDerWaalsContact CA-CD 3.42Å; E12-Q924 HydrophobicContact CB-CG 4.36Å; E12-Q924 VanDerWaalsContact CB-NE2 3.25Å; E12-Q924 VanDerWaalsContact CG-NE2 3.3Å; E12-Q924 VanDerWaalsContact N-OE1 3.16Å; E12-Q924 PolarHBondContact OE1-NE2 2.82Å; I920-Q924 HydrophobicContact CG2-CG 4.06Å; I920-Q924 WeakPolarHBondContact O-CB 3.44Å; I920-Q924 WeakPolarHBondContact O-CG 3.45Å; I920-Q924 PolarHBondContact O-N 2.69Å; E921-Q924 CarbonylContact O-C 3.39Å; E921-Q924 WeakPolarHBondContact O-CA 3.36Å; E921-Q924 WeakPolarHBondContact O-CB 3.39Å; E921-Q924 PolarHBondContact O-N 2.87Å; Q922-Q924 PolarHBondContact O-N 3.15Å; Q924-I926 VanDerWaalsContact C-N 3.28Å; Q924-I926 PolarHBondContact O-N 3.26Å; Q924-H927 PolarHBondContact O-N 3.1Å
925	T	90.9	Very high	90.9	Very high	18 Å²	18	34.6 Å²	34.6	11%	0.11	17%	0.165	C	C	.	.	H	α-helix	trans	-57.3	-42.4	171.6	-33.7	0	0	0	0	112.1	D9 E921 Q922 H927 E928 N929	D9-T925 HydrophobicContact CB-CG2 4.37Å; D9-T925 WeakPolarHBondContact O-CA 3.3Å; D9-T925 WeakPolarHBondContact O-CB 3.32Å; D9-T925 WeakPolarHBondContact O-CG2 3.23Å; D9-T925 PolarHBondContact O-N 3.29Å; D9-T925 PolarHBondContact O-OG1 3.43Å; E921-T925 PolarHBondContact O-N 3.32Å; E921-T925 PolarHBondContact O-OG1 2.67Å; Q922-T925 PolarHBondContact NE2-OG1 2.87Å; Q922-T925 PolarHBondContact O-N 3.49Å; T925-H927 VanDerWaalsContact C-N 3.31Å; T925-H927 PolarHBondContact O-N 2.66Å; T925-E928 PolarHBondContact O-N 2.84Å; T925-N929 PolarHBondContact O-N 2.89Å
926	I	95.2	Very high	91.5	Very high	1 Å²	1	36.5 Å²	36.5	1%	0.005	17%	0.173	C	C	.	.	H	α-helix	trans	-69.4	-34.3	-169.3	-62.1	163.7	0	0	0	110.5	F893 L899 V902 Q922 L923 Q924 N929 I930	F893-I926 HydrophobicContact CB-CB 4.5Å; F893-I926 HydrophobicContact CB-CD1 3.58Å; F893-I926 HydrophobicContact CB-CG1 3.5Å; F893-I926 VanDerWaalsContact CB-CG1 3.5Å; F893-I926 HydrophobicContact CB-CG2 4.21Å; F893-I926 HydrophobicContact CD2-CD1 3.76Å; F893-I926 HydrophobicContact CG-CD1 4.19Å; L899-I926 HydrophobicContact CB-CG2 3.76Å; L899-I926 HydrophobicContact CD1-CB 4.1Å; L899-I926 HydrophobicContact CD1-CG2 4.18Å; V902-I926 HydrophobicContact CB-CD1 4.46Å; V902-I926 HydrophobicContact CG2-CD1 3.89Å; Q922-I926 WeakPolarHBondContact O-CD1 3.47Å; Q922-I926 WeakPolarHBondContact O-CG1 3.25Å; Q922-I926 PolarHBondContact O-N 3.36Å; L923-I926 PolarHBondContact O-N 2.96Å; Q924-I926 VanDerWaalsContact C-N 3.28Å; Q924-I926 PolarHBondContact O-N 3.26Å; I926-N929 PolarHBondContact O-N 2.89Å; I926-I930 HydrophobicContact CG2-CD1 4.02Å; I926-I930 HydrophobicContact CG2-CG1 4.45Å; I926-I930 WeakPolarHBondContact O-CD1 3.08Å; I926-I930 VanDerWaalsContact O-CG1 3.22Å; I926-I930 WeakPolarHBondContact O-CG1 3.29Å; I926-I930 PolarHBondContact O-N 3.43Å
927	H	92.7	Very high	92.1	Very high	73 Å²	73	31.5 Å²	31.5	34%	0.338	15%	0.152	S	C	.	.	H	α-helix	trans	-64.7	-43.2	176.3	-171.2	56.7	0	0	0	112.2	L923 Q924 T925 I930 F931	L923-H927 PolarHBondContact O-N 2.86Å; Q924-H927 PolarHBondContact O-N 3.1Å; T925-H927 VanDerWaalsContact C-N 3.31Å; T925-H927 PolarHBondContact O-N 2.66Å; H927-I930 PolarHBondContact O-N 2.68Å; H927-F931 PolarHBondContact O-N 2.91Å
928	E	89.6	Confident	92.9	Very high	9 Å²	9	32.4 Å²	32.4	4%	0.042	17%	0.166	C	C	.	.	H	α-helix	trans	-62.3	-43.2	173	-63.9	179.3	-162.5	0	0	112.2	V10 L11 L594 R692 T925 I930 F931 W932	V10-E928 WeakPolarHBondContact CA-OE1 3.46Å; V10-E928 PolarHBondContact N-OE1 3.19Å; L11-E928 HydrophobicContact CB-CG 4.37Å; L11-E928 PolarHBondContact N-OE1 3.31Å; L594-E928 VanDerWaalsContact CD1-OE1 3.23Å; L594-E928 WeakPolarHBondContact CD1-OE1 3.32Å; R692-E928 IonicContact CZ-OE2 2.77Å; R692-E928 IonicContact NE-OE2 3.78Å; R692-E928 IonicContact NH2-OE2 2.69Å; R692-E928 PolarHBondContact NH2-OE2 3.43Å; T925-E928 PolarHBondContact O-N 2.84Å; E928-I930 VanDerWaalsContact C-N 3.34Å; E928-I930 PolarHBondContact O-N 2.87Å; E928-F931 PolarHBondContact O-N 3.48Å; E928-W932 WeakPolarHBondContact O-CB 3.21Å; E928-W932 PolarHBondContact O-N 3.27Å
929	N	94.3	Very high	93.3	Very high	7 Å²	7	34.6 Å²	34.6	4%	0.037	18%	0.177	C	C	.	.	H	α-helix	trans	-65.3	-35.6	178.9	-73.5	-15	0	0	0	112.2	Y726 M730 F893 K894 T925 I926 T933	Y726-N929 WeakPolarHBondContact CE2-OD1 3.45Å; Y726-N929 PolarHBondContact OH-OD1 3.07Å; M730-N929 HydrophobicContact CE-CB 3.79Å; M730-N929 WeakPolarHBondContact CE-O 3.28Å; M730-N929 HydrophobicContact SD-CB 3.95Å; F893-N929 PolarHBondContact O-ND2 3.33Å; F893-N929 VanDerWaalsContact O-ND2 3.13Å; K894-N929 HydrophobicContact CB-CB 3.71Å; T925-N929 PolarHBondContact O-N 2.89Å; I926-N929 PolarHBondContact O-N 2.89Å; N929-T933 WeakPolarHBondContact O-CB 3.34Å; N929-T933 PolarHBondContact O-N 3.45Å; N929-T933 PolarHBondContact O-OG1 3.46Å
930	I	95.6	Very high	93.5	Very high	14 Å²	14	34.5 Å²	34.5	7%	0.072	18%	0.177	C	C	.	.	H	α-helix	trans	-61.8	-53.9	170.6	-69	160.3	0	0	0	109.7	K894 T895 V896 L899 I926 H927 E928 W932 T933 E934	K894-I930 VanDerWaalsContact C-CG1 3.48Å; K894-I930 WeakPolarHBondContact O-CG1 3.49Å; T895-I930 VanDerWaalsContact C-CD1 3.49Å; V896-I930 HydrophobicContact CG2-CD1 4.35Å; V896-I930 HydrophobicContact CG2-CG2 4.49Å; L899-I930 HydrophobicContact CB-CD1 4.09Å; L899-I930 HydrophobicContact CD2-CD1 4.05Å; I926-I930 HydrophobicContact CG2-CD1 4.02Å; I926-I930 HydrophobicContact CG2-CG1 4.45Å; I926-I930 WeakPolarHBondContact O-CD1 3.08Å; I926-I930 VanDerWaalsContact O-CG1 3.22Å; I926-I930 WeakPolarHBondContact O-CG1 3.29Å; I926-I930 PolarHBondContact O-N 3.43Å; H927-I930 PolarHBondContact O-N 2.68Å; E928-I930 VanDerWaalsContact C-N 3.34Å; E928-I930 PolarHBondContact O-N 2.87Å; I930-W932 VanDerWaalsContact C-N 3.29Å; I930-W932 PolarHBondContact O-N 3.13Å; I930-T933 WeakPolarHBondContact O-CB 3.29Å; I930-T933 PolarHBondContact O-N 2.8Å; I930-E934 WeakPolarHBondContact CG2-OE1 3.3Å; I930-E934 WeakPolarHBondContact O-CG 3.26Å; I930-E934 PolarHBondContact O-N 3.23Å
931	F	93.5	Very high	93.9	Very high	64 Å²	64	32.6 Å²	32.6	28%	0.281	17%	0.168	S	C	.	.	H	α-helix	trans	-55.6	-44	179.7	177.8	-93.9	0	0	0	112	L595 H927 E928 T933 E934 H935 Y936	L595-F931 HydrophobicContact CD2-CD1 4.16Å; L595-F931 HydrophobicContact CD2-CG 4.28Å; H927-F931 PolarHBondContact O-N 2.91Å; E928-F931 PolarHBondContact O-N 3.48Å; F931-T933 PolarHBondContact O-N 2.83Å; F931-E934 PolarHBondContact O-N 2.82Å; F931-H935 AromaticContact CD2-CE1 3.45Å; F931-H935 VanDerWaalsContact CD2-CE1 3.45Å; F931-H935 WeakPolarHBondContact CD2-CE1 3.28Å; F931-H935 AromaticContact CD2-ND1 3.47Å; F931-H935 WeakPolarHBondContact CD2-ND1 3.24Å; F931-H935 AromaticContact CE2-CE1 3.31Å; F931-H935 WeakPolarHBondContact CE2-CE1 3.45Å; F931-H935 AromaticContact CE2-CG 3.93Å; F931-H935 AromaticContact CE2-ND1 3.47Å; F931-H935 WeakPolarHBondContact CE2-ND1 3.32Å; F931-H935 AromaticContact CE2-NE2 3.66Å; F931-H935 AromaticContact CG-ND1 3.88Å; F931-H935 AromaticContact CZ-CG 3.91Å; F931-H935 AromaticContact CZ-ND1 3.87Å; F931-H935 WeakPolarHBondContact O-CB 3.39Å; F931-H935 PolarHBondContact O-N 2.84Å; F931-H935 PolarHBondContact O-ND1 3.34Å; F931-Y936 HydrophobicContact CD1-CE2 4.35Å; F931-Y936 AromaticContact CE1-CE2 3.93Å; F931-Y936 HydrophobicContact CE1-CE2 3.93Å
932	W	94.7	Very high	94.4	Very high	2 Å²	2	37.4 Å²	37.4	1%	0.008	19%	0.185	C	C	.	.	H	α-helix	trans	-60.6	-43.5	175.5	-172.4	102.4	0	0	0	112.6	Y698 Y726 L727 M730 L731 E928 I930 E934 H935 Y936 L937 V940	Y698-W932 AromaticContact CE2-NE1 3.42Å; Y698-W932 AromaticContact CZ-NE1 3.31Å; Y698-W932 VanDerWaalsContact CZ-NE1 3.31Å; Y698-W932 PolarHBondContact OH-NE1 2.79Å; Y726-W932 HydrophobicContact CE1-CG 4.5Å; Y726-W932 AromaticContact CE1-NE1 3.89Å; L727-W932 HydrophobicContact CD2-CH2 3.84Å; L727-W932 HydrophobicContact CD2-CZ2 3.44Å; L727-W932 VanDerWaalsContact CD2-CZ2 3.44Å; M730-W932 HydrophobicContact CB-CD2 4.49Å; M730-W932 HydrophobicContact CB-CE3 3.8Å; M730-W932 HydrophobicContact CB-CH2 3.92Å; M730-W932 HydrophobicContact CB-CZ3 3.5Å; M730-W932 HydrophobicContact CE-CB 4.22Å; M730-W932 HydrophobicContact CE-CD2 4.07Å; M730-W932 HydrophobicContact CE-CE3 3.54Å; M730-W932 HydrophobicContact CE-CG 4.36Å; M730-W932 HydrophobicContact CE-CZ3 4.32Å; M730-W932 HydrophobicContact CG-CD2 4.22Å; M730-W932 HydrophobicContact CG-CE3 3.95Å; M730-W932 HydrophobicContact CG-CZ3 4.13Å; L731-W932 HydrophobicContact CD1-CH2 3.74Å; L731-W932 HydrophobicContact CD1-CZ3 4.06Å; E928-W932 WeakPolarHBondContact O-CB 3.21Å; E928-W932 PolarHBondContact O-N 3.27Å; I930-W932 VanDerWaalsContact C-N 3.29Å; I930-W932 PolarHBondContact O-N 3.13Å; W932-E934 VanDerWaalsContact C-N 3.27Å; W932-E934 PolarHBondContact O-N 3.33Å; W932-H935 PolarHBondContact O-N 3.26Å; W932-Y936 HydrophobicContact CB-CD2 4.37Å; W932-Y936 AromaticContact CD1-CD2 3.62Å; W932-Y936 HydrophobicContact CG-CD2 4.01Å; W932-Y936 PolarHBondContact O-N 3.37Å; W932-L937 HydrophobicContact CE3-CB 4.26Å; W932-L937 HydrophobicContact CH2-CB 4.36Å; W932-L937 HydrophobicContact CZ3-CB 3.67Å; W932-L937 HydrophobicContact CZ3-CD1 4.25Å; W932-L937 HydrophobicContact CZ3-CG 4.09Å; W932-L937 PolarHBondContact O-N 3.33Å; W932-V940 HydrophobicContact CH2-CB 4.36Å; W932-V940 HydrophobicContact CH2-CG1 4.49Å; W932-V940 HydrophobicContact CH2-CG2 4.15Å; W932-V940 HydrophobicContact CZ2-CG2 3.88Å
933	T	95.5	Very high	94.6	Very high	46 Å²	46	37.2 Å²	37.2	28%	0.282	18%	0.184	S	C	.	.	H	α-helix	trans	-62.6	-36.5	179.1	-59.4	0	0	0	0	111.4	M730 N929 I930 F931 L937	M730-T933 WeakPolarHBondContact CE-OG1 3.35Å; N929-T933 WeakPolarHBondContact O-CB 3.34Å; N929-T933 PolarHBondContact O-N 3.45Å; N929-T933 PolarHBondContact O-OG1 3.46Å; I930-T933 WeakPolarHBondContact O-CB 3.29Å; I930-T933 PolarHBondContact O-N 2.8Å; F931-T933 PolarHBondContact O-N 2.83Å; T933-L937 HydrophobicContact CG2-CD1 3.97Å; T933-L937 WeakPolarHBondContact O-CB 3.36Å
934	E	94.6	Very high	94.7	Very high	133 Å²	133	35.9 Å²	35.9	62%	0.621	18%	0.177	S	C	*	.	H	α-helix	trans	-75.6	-38.5	178.3	-68.7	170.9	172.1	0	0	113	I930 F931 W932	I930-E934 WeakPolarHBondContact CG2-OE1 3.3Å; I930-E934 WeakPolarHBondContact O-CG 3.26Å; I930-E934 PolarHBondContact O-N 3.23Å; F931-E934 PolarHBondContact O-N 2.82Å; W932-E934 VanDerWaalsContact C-N 3.27Å; W932-E934 PolarHBondContact O-N 3.33Å
935	H	94.4	Very high	95	Very high	97 Å²	97	40.1 Å²	40.1	45%	0.449	20%	0.197	S	C	.	.	H	α-helix	trans	-102.3	-32.1	-168	-65.5	77.5	0	0	0	115.1	F931 W932	F931-H935 AromaticContact CD2-CE1 3.45Å; F931-H935 VanDerWaalsContact CD2-CE1 3.45Å; F931-H935 WeakPolarHBondContact CD2-CE1 3.28Å; F931-H935 AromaticContact CD2-ND1 3.47Å; F931-H935 WeakPolarHBondContact CD2-ND1 3.24Å; F931-H935 AromaticContact CE2-CE1 3.31Å; F931-H935 WeakPolarHBondContact CE2-CE1 3.45Å; F931-H935 AromaticContact CE2-CG 3.93Å; F931-H935 AromaticContact CE2-ND1 3.47Å; F931-H935 WeakPolarHBondContact CE2-ND1 3.32Å; F931-H935 AromaticContact CE2-NE2 3.66Å; F931-H935 AromaticContact CG-ND1 3.88Å; F931-H935 AromaticContact CZ-CG 3.91Å; F931-H935 AromaticContact CZ-ND1 3.87Å; F931-H935 WeakPolarHBondContact O-CB 3.39Å; F931-H935 PolarHBondContact O-N 2.84Å; F931-H935 PolarHBondContact O-ND1 3.34Å; W932-H935 PolarHBondContact O-N 3.26Å
936	Y	96	Very high	95.2	Very high	41 Å²	41	45 Å²	45	16%	0.161	22%	0.222	C	C	.	.	T	Hydrogen-bonded Turn	trans	-119.2	-24.4	-167.5	-55.4	-48.5	0	0	0	114.8	G694 Y698 F931 W932 A938 D939 V940	G694-Y936 WeakPolarHBondContact CA-OH 3.47Å; Y698-Y936 HydrophobicContact CD2-CD1 4.16Å; Y698-Y936 HydrophobicContact CD2-CD2 4.42Å; Y698-Y936 AromaticContact CD2-CG 3.85Å; Y698-Y936 HydrophobicContact CD2-CG 3.85Å; Y698-Y936 HydrophobicContact CE2-CD1 4.5Å; Y698-Y936 AromaticContact CE2-CD2 3.97Å; Y698-Y936 HydrophobicContact CE2-CD2 3.97Å; Y698-Y936 AromaticContact CE2-CG 3.84Å; Y698-Y936 HydrophobicContact CE2-CG 3.84Å; F931-Y936 HydrophobicContact CD1-CE2 4.35Å; F931-Y936 AromaticContact CE1-CE2 3.93Å; F931-Y936 HydrophobicContact CE1-CE2 3.93Å; W932-Y936 HydrophobicContact CB-CD2 4.37Å; W932-Y936 AromaticContact CD1-CD2 3.62Å; W932-Y936 HydrophobicContact CG-CD2 4.01Å; W932-Y936 PolarHBondContact O-N 3.37Å; Y936-A938 VanDerWaalsContact C-N 3.26Å; Y936-A938 PolarHBondContact O-N 2.84Å; Y936-D939 PolarHBondContact O-N 3.23Å; Y936-V940 PolarHBondContact O-N 3.17Å; Y936-V940 VanDerWaalsContact O-N 3.08Å
937	L	96.4	Very high	95.1	Very high	17 Å²	17	47.9 Å²	47.9	9%	0.089	24%	0.238	C	C	.	.	H	α-helix	trans	-52.8	-42.9	-177.8	-174.6	153.9	0	0	0	112.6	Y736 W932 T933 D939 V940 V941	Y736-L937 HydrophobicContact CD2-CD2 3.75Å; Y736-L937 HydrophobicContact CE2-CD2 3.52Å; W932-L937 HydrophobicContact CE3-CB 4.26Å; W932-L937 HydrophobicContact CH2-CB 4.36Å; W932-L937 HydrophobicContact CZ3-CB 3.67Å; W932-L937 HydrophobicContact CZ3-CD1 4.25Å; W932-L937 HydrophobicContact CZ3-CG 4.09Å; W932-L937 PolarHBondContact O-N 3.33Å; T933-L937 HydrophobicContact CG2-CD1 3.97Å; T933-L937 WeakPolarHBondContact O-CB 3.36Å; L937-D939 VanDerWaalsContact C-N 3.33Å; L937-D939 PolarHBondContact O-N 3.21Å; L937-V940 PolarHBondContact O-N 3.5Å; L937-V941 HydrophobicContact CD2-CG2 3.95Å; L937-V941 HydrophobicContact CG-CG2 4.49Å; L937-V941 WeakPolarHBondContact O-CB 3.44Å; L937-V941 VanDerWaalsContact O-CG2 3.25Å; L937-V941 WeakPolarHBondContact O-CG2 3.39Å; L937-V941 PolarHBondContact O-N 3.19Å
938	A	95.7	Very high	94.9	Very high	57 Å²	57	44.8 Å²	44.8	47%	0.471	22%	0.224	S	C	.	.	H	α-helix	trans	-65.7	-32.4	-178.1	0	0	0	0	0	113.6	Y936 R942	Y936-A938 VanDerWaalsContact C-N 3.26Å; Y936-A938 PolarHBondContact O-N 2.84Å; A938-R942 WeakPolarHBondContact O-CB 3.37Å; A938-R942 PolarHBondContact O-N 3.41Å; A938-R942 VanDerWaalsContact O-N 3.16Å
939	D	96.1	Very high	94.4	Very high	50 Å²	50	47.7 Å²	47.7	27%	0.267	24%	0.244	S	C	.	.	H	α-helix	trans	-80.2	-40.7	179.5	-72.2	-4.6	0	0	0	111	Y936 L937 R942 W943	Y936-D939 PolarHBondContact O-N 3.23Å; L937-D939 VanDerWaalsContact C-N 3.33Å; L937-D939 PolarHBondContact O-N 3.21Å; D939-R942 PolarHBondContact O-N 3.45Å; D939-R942 IonicContact OD1-CZ 2.67Å; D939-R942 IonicContact OD1-NH1 2.66Å; D939-R942 PolarHBondContact OD1-NH1 2.69Å; D939-R942 IonicContact OD1-NH2 2.91Å; D939-R942 PolarHBondContact OD1-NH2 3.47Å; D939-W943 PolarHBondContact O-N 2.87Å
940	V	97.3	Very high	93.2	Very high	0 Å²	0	49.4 Å²	49.4	0%	0	26%	0.263	C	S	.	.	H	α-helix	trans	-59.6	-48.6	172.9	171.7	0	0	0	0	111.2	Y698 L702 L727 L731 W932 Y936 L937 R942 W943 I944	Y698-V940 HydrophobicContact CD1-CG2 3.62Å; Y698-V940 HydrophobicContact CD2-CG2 4.21Å; Y698-V940 HydrophobicContact CE1-CG2 4.24Å; Y698-V940 HydrophobicContact CG-CG2 3.61Å; L702-V940 HydrophobicContact CD1-CB 4.37Å; L702-V940 HydrophobicContact CD1-CG1 4.18Å; L702-V940 HydrophobicContact CD1-CG2 4.24Å; L727-V940 HydrophobicContact CD1-CG1 4.33Å; L727-V940 HydrophobicContact CD2-CG1 4.2Å; L731-V940 HydrophobicContact CD1-CG1 4.46Å; W932-V940 HydrophobicContact CH2-CB 4.36Å; W932-V940 HydrophobicContact CH2-CG1 4.49Å; W932-V940 HydrophobicContact CH2-CG2 4.15Å; W932-V940 HydrophobicContact CZ2-CG2 3.88Å; Y936-V940 PolarHBondContact O-N 3.17Å; Y936-V940 VanDerWaalsContact O-N 3.08Å; L937-V940 PolarHBondContact O-N 3.5Å; V940-R942 VanDerWaalsContact C-N 3.33Å; V940-R942 PolarHBondContact O-N 2.9Å; V940-W943 PolarHBondContact O-N 2.86Å; V940-I944 HydrophobicContact CG1-CD1 3.92Å; V940-I944 WeakPolarHBondContact O-CG1 3.31Å; V940-I944 PolarHBondContact O-N 3.45Å
941	V	97.1	Very high	91.2	Very high	5 Å²	5	52.1 Å²	52.1	3%	0.03	28%	0.276	C	S	.	.	H	α-helix	trans	-59	-44.5	175.6	168.3	0	0	0	0	111.1	L731 Y736 L937 W943 I944 Q945	L731-V941 HydrophobicContact CD2-CG2 3.8Å; L731-V941 HydrophobicContact CG-CG2 4.5Å; Y736-V941 HydrophobicContact CD1-CB 4.49Å; Y736-V941 HydrophobicContact CD1-CG1 3.6Å; Y736-V941 HydrophobicContact CD1-CG2 4.02Å; Y736-V941 HydrophobicContact CD2-CG2 3.86Å; Y736-V941 HydrophobicContact CE1-CG1 3.74Å; Y736-V941 HydrophobicContact CE1-CG2 4.47Å; Y736-V941 HydrophobicContact CE2-CG2 4.31Å; Y736-V941 HydrophobicContact CG-CG1 4.13Å; Y736-V941 HydrophobicContact CG-CG2 3.66Å; L937-V941 HydrophobicContact CD2-CG2 3.95Å; L937-V941 HydrophobicContact CG-CG2 4.49Å; L937-V941 WeakPolarHBondContact O-CB 3.44Å; L937-V941 VanDerWaalsContact O-CG2 3.25Å; L937-V941 WeakPolarHBondContact O-CG2 3.39Å; L937-V941 PolarHBondContact O-N 3.19Å; V941-W943 PolarHBondContact O-N 2.83Å; V941-I944 PolarHBondContact O-N 2.82Å; V941-Q945 HydrophobicContact CG1-CG 4.3Å; V941-Q945 WeakPolarHBondContact O-CB 3.49Å; V941-Q945 WeakPolarHBondContact O-CG 3.32Å; V941-Q945 PolarHBondContact O-N 3.49Å
942	R	96.7	Very high	89.1	Confident	107 Å²	107	57 Å²	57	40%	0.404	30%	0.3	S	S	.	.	H	α-helix	trans	-63.5	-39.7	178.6	-165.1	-170.1	-48.2	111.6	10.9	112.1	A938 D939 V940 N946	A938-R942 WeakPolarHBondContact O-CB 3.37Å; A938-R942 PolarHBondContact O-N 3.41Å; A938-R942 VanDerWaalsContact O-N 3.16Å; D939-R942 PolarHBondContact O-N 3.45Å; D939-R942 IonicContact OD1-CZ 2.67Å; D939-R942 IonicContact OD1-NH1 2.66Å; D939-R942 PolarHBondContact OD1-NH1 2.69Å; D939-R942 IonicContact OD1-NH2 2.91Å; D939-R942 PolarHBondContact OD1-NH2 3.47Å; V940-R942 VanDerWaalsContact C-N 3.33Å; V940-R942 PolarHBondContact O-N 2.9Å; R942-N946 VanDerWaalsContact O-CB 3.31Å; R942-N946 WeakPolarHBondContact O-CB 3.36Å; R942-N946 PolarHBondContact O-N 2.9Å; R942-N946 VanDerWaalsContact O-N 3.08Å; R942-N946 PolarHBondContact O-ND2 2.77Å
943	W	97.3	Very high	86.9	Confident	6 Å²	6	60.8 Å²	60.8	2%	0.023	33%	0.326	C	S	.	.	H	α-helix	trans	-63.2	-46.7	174	-175.3	102.2	0	0	0	111.1	H699 L702 D703 K706 F743 D939 V940 V941 Q945 N946 N947 V948	H699-W943 AromaticContact CG-CD1 3.97Å; H699-W943 AromaticContact ND1-CD1 3.6Å; H699-W943 PolarHBondContact O-NE1 3.32Å; L702-W943 VanDerWaalsContact C-CZ2 3.42Å; L702-W943 HydrophobicContact CB-CD2 3.46Å; L702-W943 VanDerWaalsContact CB-CD2 3.46Å; L702-W943 VanDerWaalsContact CB-CE2 3.41Å; L702-W943 HydrophobicContact CB-CE3 3.77Å; L702-W943 HydrophobicContact CB-CG 3.93Å; L702-W943 HydrophobicContact CB-CH2 4.03Å; L702-W943 HydrophobicContact CB-CZ2 3.71Å; L702-W943 HydrophobicContact CB-CZ3 4.06Å; L702-W943 HydrophobicContact CD1-CB 3.74Å; L702-W943 HydrophobicContact CD1-CD2 3.78Å; L702-W943 HydrophobicContact CD1-CE3 3.86Å; L702-W943 HydrophobicContact CD1-CG 3.72Å; L702-W943 HydrophobicContact CD2-CE3 4.35Å; L702-W943 HydrophobicContact CD2-CZ3 4.47Å; L702-W943 HydrophobicContact CG-CD2 4.19Å; L702-W943 HydrophobicContact CG-CE3 4.22Å; L702-W943 HydrophobicContact CG-CG 4.48Å; L702-W943 VanDerWaalsContact O-CZ2 3.3Å; L702-W943 WeakPolarHBondContact O-CZ2 3.33Å; D703-W943 PolarHBondContact OD1-NE1 2.89Å; K706-W943 HydrophobicContact CD-CZ2 4.43Å; K706-W943 HydrophobicContact CG-CZ2 4.29Å; F743-W943 HydrophobicContact CD2-CH2 4.48Å; F743-W943 AromaticContact CD2-CZ3 3.84Å; F743-W943 HydrophobicContact CD2-CZ3 3.84Å; F743-W943 AromaticContact CE2-CH2 3.91Å; F743-W943 HydrophobicContact CE2-CH2 3.91Å; F743-W943 AromaticContact CE2-CZ3 3.6Å; F743-W943 HydrophobicContact CE2-CZ3 3.6Å; F743-W943 HydrophobicContact CZ-CZ3 4.34Å; D939-W943 PolarHBondContact O-N 2.87Å; V940-W943 PolarHBondContact O-N 2.86Å; V941-W943 PolarHBondContact O-N 2.83Å; W943-Q945 PolarHBondContact O-N 3.3Å; W943-N946 PolarHBondContact O-N 3.39Å; W943-N947 HydrophobicContact CD2-CB 4.16Å; W943-N947 HydrophobicContact CE3-CB 4.21Å; W943-N947 HydrophobicContact CH2-CB 4.08Å; W943-N947 HydrophobicContact CZ2-CB 4.03Å; W943-N947 HydrophobicContact CZ3-CB 4.17Å; W943-N947 PolarHBondContact NE1-ND2 3.25Å; W943-N947 WeakPolarHBondContact O-CB 3.33Å; W943-N947 PolarHBondContact O-N 2.89Å; W943-N947 PolarHBondContact O-ND2 3.47Å; W943-V948 HydrophobicContact CZ3-CG2 4.11Å
944	I	96	Very high	84.5	Confident	0 Å²	0	60.9 Å²	60.9	0%	0	33%	0.325	C	S	.	.	H	α-helix	trans	-62.5	-44.2	-179.7	-68.1	169.2	0	0	0	111	L731 D739 I740 F743 V940 V941 N946 N947 V948	L731-I944 HydrophobicContact CD2-CD1 4.39Å; D739-I944 HydrophobicContact CB-CG2 3.89Å; D739-I944 WeakPolarHBondContact O-CG2 3.39Å; I740-I944 HydrophobicContact CD1-CD1 4.41Å; F743-I944 HydrophobicContact CB-CD1 4.14Å; F743-I944 HydrophobicContact CB-CG1 4.16Å; F743-I944 HydrophobicContact CB-CG2 4.1Å; F743-I944 HydrophobicContact CD1-CD1 4.42Å; F743-I944 HydrophobicContact CG-CD1 4.39Å; F743-I944 HydrophobicContact CG-CG1 4.28Å; V940-I944 HydrophobicContact CG1-CD1 3.92Å; V940-I944 WeakPolarHBondContact O-CG1 3.31Å; V940-I944 PolarHBondContact O-N 3.45Å; V941-I944 PolarHBondContact O-N 2.82Å; I944-N946 VanDerWaalsContact C-N 3.3Å; I944-N946 PolarHBondContact O-N 3.13Å; I944-N947 PolarHBondContact O-N 3.28Å; I944-V948 HydrophobicContact CG2-CB 4.29Å; I944-V948 HydrophobicContact CG2-CG2 4.07Å; I944-V948 VanDerWaalsContact O-CB 3.29Å; I944-V948 WeakPolarHBondContact O-CB 3.45Å; I944-V948 PolarHBondContact O-N 2.94Å
945	Q	94.8	Very high	82.3	Confident	96 Å²	96	59 Å²	59	45%	0.449	31%	0.313	S	S	.	.	H	α-helix	trans	-66.7	-30.4	179	-71.6	174.9	-5	0	0	112.9	D739 V941 W943	D739-Q945 VanDerWaalsContact OD1-CG 3.3Å; D739-Q945 WeakPolarHBondContact OD1-CG 3.44Å; D739-Q945 PolarHBondContact OD2-NE2 2.88Å; V941-Q945 HydrophobicContact CG1-CG 4.3Å; V941-Q945 WeakPolarHBondContact O-CB 3.49Å; V941-Q945 WeakPolarHBondContact O-CG 3.32Å; V941-Q945 PolarHBondContact O-N 3.49Å; W943-Q945 PolarHBondContact O-N 3.3Å
946	N	95	Very high	79.6	Confident	119 Å²	119	61 Å²	61	64%	0.636	32%	0.32	S	S	*	.	H	α-helix	trans	-85.6	-26.5	178.1	-71.1	-5.7	0	0	0	114.3	R942 W943 I944	R942-N946 VanDerWaalsContact O-CB 3.31Å; R942-N946 WeakPolarHBondContact O-CB 3.36Å; R942-N946 PolarHBondContact O-N 2.9Å; R942-N946 VanDerWaalsContact O-N 3.08Å; R942-N946 PolarHBondContact O-ND2 2.77Å; W943-N946 PolarHBondContact O-N 3.39Å; I944-N946 VanDerWaalsContact C-N 3.3Å; I944-N946 PolarHBondContact O-N 3.13Å
947	N	93.2	Very high	76.9	Confident	62 Å²	62	65.4 Å²	65.4	33%	0.332	35%	0.346	S	S	.	.	H	α-helix	trans	-111.4	-18.4	-171.8	-67.5	-91.2	0	0	0	114.6	K706 W943 I944	K706-N947 VanDerWaalsContact CE-OD1 3.29Å; K706-N947 WeakPolarHBondContact CE-OD1 3.44Å; K706-N947 PolarHBondContact NZ-OD1 2.84Å; W943-N947 HydrophobicContact CD2-CB 4.16Å; W943-N947 HydrophobicContact CE3-CB 4.21Å; W943-N947 HydrophobicContact CH2-CB 4.08Å; W943-N947 HydrophobicContact CZ2-CB 4.03Å; W943-N947 HydrophobicContact CZ3-CB 4.17Å; W943-N947 PolarHBondContact NE1-ND2 3.25Å; W943-N947 WeakPolarHBondContact O-CB 3.33Å; W943-N947 PolarHBondContact O-N 2.89Å; W943-N947 PolarHBondContact O-ND2 3.47Å; I944-N947 PolarHBondContact O-N 3.28Å
948	V	89.1	Confident	74.1	Confident	8 Å²	8	70.4 Å²	70.4	5%	0.048	37%	0.367	C	S	.	.	S	Bend	trans	-112.5	109.8	-174	-169.5	0	0	0	0	110.9	R742 F743 N746 W943 I944	R742-V948 HydrophobicContact CG-CG1 3.88Å; R742-V948 PolarHBondContact NE-O 3.26Å; R742-V948 VanDerWaalsContact NE-O 3.11Å; R742-V948 PolarHBondContact NH2-O 2.86Å; F743-V948 HydrophobicContact CB-CG2 4.26Å; F743-V948 HydrophobicContact CD2-CG2 3.88Å; N746-V948 HydrophobicContact CB-CG1 3.65Å; W943-V948 HydrophobicContact CZ3-CG2 4.11Å; I944-V948 HydrophobicContact CG2-CB 4.29Å; I944-V948 HydrophobicContact CG2-CG2 4.07Å; I944-V948 VanDerWaalsContact O-CB 3.29Å; I944-V948 WeakPolarHBondContact O-CB 3.45Å; I944-V948 PolarHBondContact O-N 2.94Å
949	P	79.3	Confident	71.2	Confident	71 Å²	71	72.3 Å²	72.3	46%	0.461	38%	0.383	S	S	.	.			trans	-51.8	144.5	-179	-27.7	35.2	0	0	0	113.8	R742	R742-P949 WeakPolarHBondContact CD-O 3.42Å; R742-P949 PolarHBondContact NE-O 3.46Å
950	G	69.3	Low	68	Low	43 Å²	43	80 Å²	80	44%	0.443	42%	0.417	S	S	.	.			trans	-66.8	134.4	-179.9	0	0	0	0	0	113.2	H952 S953	G950-H952 PolarHBondContact O-N 2.98Å; G950-S953 PolarHBondContact O-N 3.32Å; G950-S953 VanDerWaalsContact O-N 3.12Å; G950-S953 PolarHBondContact O-OG 3.06Å
951	M	53.2	Low	66.5	Low	70 Å²	70	84 Å²	84	35%	0.345	44%	0.438	S	S	.	.	G	3₁₀ helix	trans	-49	-28.5	-177.3	-78	175	156.8	0	0	115	R742 L745 S953 I954 Y955	R742-M951 HydrophobicContact CB-CE 4.39Å; R742-M951 HydrophobicContact CB-CG 4.43Å; R742-M951 HydrophobicContact CG-CG 3.95Å; L745-M951 HydrophobicContact CD1-CE 3.51Å; M951-S953 PolarHBondContact O-N 3.34Å; M951-I954 PolarHBondContact O-N 2.97Å; M951-I954 VanDerWaalsContact O-N 3.12Å; M951-Y955 HydrophobicContact CB-CD2 4.26Å; M951-Y955 HydrophobicContact CG-CD2 4.37Å; M951-Y955 HydrophobicContact CG-CE2 4.46Å; M951-Y955 PolarHBondContact O-N 2.78Å
952	H	49.4	Very low	64.9	Low	168 Å²	168	88.2 Å²	88.2	78%	0.778	46%	0.46	S	S	*	.	G	3₁₀ helix	trans	-59.8	-21.4	-179.5	-87.3	40.8	0	0	0	114.6	G950	G950-H952 PolarHBondContact O-N 2.98Å
953	S	48	Very low	63.1	Low	81 Å²	81	87.1 Å²	87.1	57%	0.566	46%	0.463	S	S	*	.	G	3₁₀ helix	trans	-85.8	-17.3	175.7	60.9	0	0	0	0	114.5	G950 M951	G950-S953 PolarHBondContact O-N 3.32Å; G950-S953 VanDerWaalsContact O-N 3.12Å; G950-S953 PolarHBondContact O-OG 3.06Å; M951-S953 PolarHBondContact O-N 3.34Å
954	I	45.1	Very low	61.1	Low	47 Å²	47	91.9 Å²	91.9	24%	0.241	49%	0.489	C	S	.	.	T	Hydrogen-bonded Turn	trans	-103.6	-50.9	-172.2	-59	177.4	0	0	0	111.1	M951	M951-I954 PolarHBondContact O-N 2.97Å; M951-I954 VanDerWaalsContact O-N 3.12Å
955	Y	48.4	Very low	59	Low	95 Å²	95	97.6 Å²	97.6	37%	0.373	52%	0.519	S	S	.	.	T	Hydrogen-bonded Turn	trans	-86	-20	-164.1	-72.6	-83.1	0	0	0	115.3	M951 N957 K958 A959	M951-Y955 HydrophobicContact CB-CD2 4.26Å; M951-Y955 HydrophobicContact CG-CD2 4.37Å; M951-Y955 HydrophobicContact CG-CE2 4.46Å; M951-Y955 PolarHBondContact O-N 2.78Å; Y955-N957 PolarHBondContact O-N 2.82Å; Y955-K958 PolarHBondContact O-N 2.9Å; Y955-A959 PolarHBondContact O-N 2.96Å
956	K	38.8	Very low	56.6	Low	138 Å²	138	97.7 Å²	97.7	60%	0.6	52%	0.524	S	S	*	.	H	α-helix	trans	-63.3	-30.6	175.8	-97.9	-160.6	167.9	-155.3	0	113.3	K958	K956-K958 VanDerWaalsContact C-N 3.32Å; K956-K958 PolarHBondContact O-N 2.89Å
957	N	39.3	Very low	53.8	Low	133 Å²	133	96.2 Å²	96.2	71%	0.711	52%	0.516	S	S	*	.	H	α-helix	trans	-92.1	14.6	-176.4	-59.6	-0.2	0	0	0	113.4	Y955	Y955-N957 PolarHBondContact O-N 2.82Å
958	K	37.4	Very low	50.8	Low	122 Å²	122	98.8 Å²	98.8	53%	0.53	53%	0.53	S	S	.	.	H	α-helix	trans	-139.4	-4.3	178	-77	-178.5	177.8	171	0	114	E749 H753 Y955 K956	E749-K958 IonicContact OE1-NZ 2.76Å; H753-K958 PolarHBondContact NE2-NZ 2.81Å; H753-K958 VanDerWaalsContact NE2-NZ 3.11Å; Y955-K958 PolarHBondContact O-N 2.9Å; K956-K958 VanDerWaalsContact C-N 3.32Å; K956-K958 PolarHBondContact O-N 2.89Å
959	A	34.4	Very low	47.6	Very low	97 Å²	97	106.4 Å²	106.4	80%	0.802	57%	0.57	S	S	*	*	H	α-helix	trans	-104.8	-15.8	173.5	0	0	0	0	0	112.4	Y955	Y955-A959 PolarHBondContact O-N 2.96Å
960	E	28.7	Very low	44.7	Very low	212 Å²	212	109.6 Å²	109.6	99%	0.991	58%	0.58	S	S	*	*			trans	-89	0	152.5	-65.6	176.4	-168.6	0	0	108.8

Retrieved 960 of 960 residues in 363.6 ms (Link to these results)

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