A0A096M0K7_POEFO Loading...

Phosphatidylinositol-4-phosphate 5-kinase, type I, alpha, b

AlphaFold DB , UniProt , Accession A0A096M0K7, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 599 aa.

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(Predicted Aligned Error values between residue pairs)

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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	31	Very low	28.7	Very low	245 Å²	245	127.8 Å²	127.8	100%	1.207	82%	0.82	S	S	*	*				0	145.3	0	-93.9	178.3	160	0	0	107.8
2	A	31.3	Very low	28.8	Very low	103 Å²	103	128.6 Å²	128.6	85%	0.851	82%	0.822	S	S	*	*			trans	61.1	122.4	-176.3	0	0	0	0	0	115.7
3	T	29.6	Very low	28.7	Very low	149 Å²	149	128.8 Å²	128.8	91%	0.914	82%	0.82	S	S	*	*			trans	-146.4	140.9	178.2	45	0	0	0	0	108.7
4	A	29.4	Very low	29.3	Very low	86 Å²	86	127.9 Å²	127.9	71%	0.711	82%	0.816	S	S	*	*			trans	-155	116.1	167.2	0	0	0	0	0	106.4
5	E	29.3	Very low	29.2	Very low	175 Å²	175	128.5 Å²	128.5	82%	0.818	82%	0.817	S	S	*	*				74.7	106.8	86.3	-72.4	-177.6	160.7	0	0	111.9
6	T	29.3	Very low	29	Very low	129 Å²	129	125.4 Å²	125.4	79%	0.791	82%	0.816	S	S	*	*				64.7	143.5	77.2	60.2	0	0	0	0	114.4
7	A	29	Very low	29	Very low	85 Å²	85	124.4 Å²	124.4	70%	0.702	82%	0.821	S	S	*	*			cis	-174	-175.1	-16.2	0	0	0	0	0	107.9
8	D	28.3	Very low	29	Very low	155 Å²	155	123.8 Å²	123.8	83%	0.829	82%	0.82	S	S	*	*			trans	67.9	168	160.7	-115.1	47.6	0	0	0	118.4
9	S	27.2	Very low	28.9	Very low	95 Å²	95	121.8 Å²	121.8	66%	0.664	81%	0.808	S	S	*	*				-159	170.2	-53.8	63.3	0	0	0	0	111.6
10	G	26.3	Very low	28.9	Very low	75 Å²	75	123.6 Å²	123.6	77%	0.773	81%	0.808	S	S	*	*			trans	80.1	163.8	166	0	0	0	0	0	117.2
11	S	25	Very low	28.8	Very low	109 Å²	109	129.6 Å²	129.6	76%	0.762	82%	0.815	S	S	*	*			cis	166.4	147.3	-40	174.5	0	0	0	0	108.8
12	T	29.8	Very low	28.6	Very low	137 Å²	137	127.9 Å²	127.9	84%	0.84	80%	0.8	S	S	*	*			trans	105.7	149.4	169.1	72.1	0	0	0	0	118.8
13	V	28.1	Very low	28.4	Very low	132 Å²	132	131.7 Å²	131.7	80%	0.8	80%	0.803	S	S	*	*			trans	-148.4	142.9	-164.5	177.8	0	0	0	0	109.3
14	P	37	Very low	28.5	Very low	116 Å²	116	129 Å²	129	75%	0.753	80%	0.796	S	S	*	*			trans	-141.7	127.4	130	30.9	-13.9	0	0	0	115.3
15	T	27.6	Very low	29.3	Very low	137 Å²	137	130.8 Å²	130.8	84%	0.84	80%	0.8	S	S	*	*			trans	28.1	123.1	144.3	56.9	0	0	0	0	121.9
16	G	26.1	Very low	29.1	Very low	78 Å²	78	126.7 Å²	126.7	80%	0.804	80%	0.796	S	S	*	*			trans	-169.6	105.6	161.5	0	0	0	0	0	116
17	A	29	Very low	29	Very low	108 Å²	108	129 Å²	129	89%	0.893	80%	0.798	S	S	*	*			trans	44.9	134.5	157.3	0	0	0	0	0	123.6
18	S	28.3	Very low	29.1	Very low	114 Å²	114	131.8 Å²	131.8	80%	0.797	80%	0.8	S	S	*	*			trans	-56.2	163.6	157.6	-111.5	0	0	0	0	113.7
19	S	27.3	Very low	29.5	Very low	87 Å²	87	130.2 Å²	130.2	61%	0.608	80%	0.798	S	S	*	*			cis	-161.5	150.5	9.6	-125.5	0	0	0	0	114.7
20	I	29	Very low	29.4	Very low	156 Å²	156	129 Å²	129	80%	0.8	80%	0.801	S	S	*	*			trans	47.8	99	147.2	-51.7	160.5	0	0	0	119.4
21	R	27.4	Very low	29.4	Very low	251 Å²	251	131.6 Å²	131.6	95%	0.947	81%	0.807	S	S	*	*				-153.9	140.6	122.9	-84.3	-171.5	-169	-177.7	3.4	107.6
22	K	27.3	Very low	29.6	Very low	208 Å²	208	131.7 Å²	131.7	90%	0.904	81%	0.808	S	S	*	*			trans	-149.1	136.7	176.9	-158.7	171.3	-176.1	-179.2	0	112.7
23	M	25.1	Very low	29.4	Very low	184 Å²	184	130.4 Å²	130.4	91%	0.906	81%	0.805	S	S	*	*			trans	-110.4	177.5	170.7	-83.7	-177.9	149.3	0	0	110.8
24	A	32.4	Very low	29.5	Very low	92 Å²	92	130.4 Å²	130.4	76%	0.76	81%	0.805	S	S	*	*			trans	-69	-170.5	-178.9	0	0	0	0	0	112.7
25	P	46.9	Very low	29.2	Very low	124 Å²	124	130.9 Å²	130.9	81%	0.805	81%	0.806	S	S	*	*			cis	-145	-160.2	10.9	44.6	-23.2	0	0	0	117
26	A	25.4	Very low	29.5	Very low	89 Å²	89	133 Å²	133	74%	0.736	81%	0.807	S	S	*	*			trans	108.3	109.9	154.8	0	0	0	0	0	119.8
27	E	26.4	Very low	30	Very low	178 Å²	178	132.2 Å²	132.2	83%	0.832	79%	0.789	S	S	*	*			trans	19.1	152.4	134.4	-57.3	-170.8	147.3	0	0	121.7
28	L	31.5	Very low	30.4	Very low	142 Å²	142	135.2 Å²	135.2	74%	0.743	79%	0.786	S	S	*	*			cis	-173.2	-178.1	-7.8	-103.5	171.9	0	0	0	106
29	P	36	Very low	31.2	Very low	122 Å²	122	134.6 Å²	134.6	79%	0.792	77%	0.769	S	S	*	*			cis	-124.7	178.9	-16.8	40.9	-26.3	0	0	0	113.9
30	G	24.9	Very low	32.2	Very low	71 Å²	71	138.3 Å²	138.3	73%	0.732	77%	0.774	S	S	*	*			trans	136.4	99.8	148.1	0	0	0	0	0	118.7
31	S	27.6	Very low	33.2	Very low	128 Å²	128	135.4 Å²	135.4	90%	0.895	76%	0.764	S	S	*	*			trans	-178.2	158.3	135.8	34.5	0	0	0	0	110.7
32	S	27.9	Very low	34.5	Very low	111 Å²	111	127.7 Å²	127.7	78%	0.776	74%	0.741	S	S	*	*			trans	-70.8	134	-170.3	51.1	0	0	0	0	114	T34	S32-T34 PolarHBondContact O-N 3.03Å
33	S	25.3	Very low	36.3	Very low	111 Å²	111	121.2 Å²	121.2	78%	0.776	73%	0.733	S	S	*	*			trans	-63.4	115.9	170.7	39.5	0	0	0	0	111.7	T35	S33-T35 PolarHBondContact O-N 3.41Å
34	T	30.4	Very low	37.9	Very low	131 Å²	131	118 Å²	118	80%	0.804	72%	0.715	S	S	*	*			trans	-75.9	109.5	165.2	-61	0	0	0	0	108.4	S32 Q36	S32-T34 PolarHBondContact O-N 3.03Å; T34-Q36 PolarHBondContact O-N 2.86Å
35	T	30.7	Very low	39.4	Very low	126 Å²	126	114.7 Å²	114.7	77%	0.773	68%	0.683	S	S	*	*			trans	-66.9	110.9	175.6	36.4	0	0	0	0	110.3	S33 S37	S33-T35 PolarHBondContact O-N 3.41Å; T35-S37 PolarHBondContact O-N 3.2Å
36	Q	34.7	Very low	40.1	Very low	183 Å²	183	109 Å²	109	86%	0.855	65%	0.646	S	S	*	*			trans	-67.3	99.7	171.1	-70	-173.9	-3.2	0	0	109.4	T34 M38	T34-Q36 PolarHBondContact O-N 2.86Å; Q36-M38 PolarHBondContact O-N 2.8Å
37	S	36.5	Very low	41.9	Very low	61 Å²	61	107.5 Å²	107.5	43%	0.427	63%	0.628	S	S	.	*			trans	-67.1	127.1	172.8	59.9	0	0	0	0	109.6	T35 K39	T35-S37 PolarHBondContact O-N 3.2Å; S37-K39 VanDerWaalsContact C-N 3.32Å; S37-K39 PolarHBondContact O-N 2.82Å
38	M	36.9	Very low	43.4	Very low	171 Å²	171	102 Å²	102	84%	0.842	60%	0.602	S	S	*	*			trans	-71.3	84.9	-175.6	-72.1	-170.2	-77	0	0	111.2	Q36 K40	Q36-M38 PolarHBondContact O-N 2.8Å; M38-K40 PolarHBondContact O-N 3.23Å
39	K	45.3	Very low	44.4	Very low	101 Å²	101	99.3 Å²	99.3	44%	0.439	59%	0.592	S	S	.	*			trans	-70.6	99.5	-174.9	-170.8	162	-171.3	142	0	112	S37 T41	S37-K39 VanDerWaalsContact C-N 3.32Å; S37-K39 PolarHBondContact O-N 2.82Å; K39-T41 HydrophobicContact CG-CG2 4.2Å; K39-T41 PolarHBondContact O-N 3.04Å
40	K	48.3	Very low	45.1	Very low	165 Å²	165	99 Å²	99	72%	0.717	59%	0.588	S	S	*	*			trans	-72	114.1	175	-163.8	170.6	-174	173.1	0	110.2	M38 V47	M38-K40 PolarHBondContact O-N 3.23Å; K40-V47 PolarHBondContact O-N 2.85Å
41	T	50.5	Low	46.7	Very low	95 Å²	95	99.9 Å²	99.9	58%	0.583	58%	0.579	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-110.4	144.3	-179.3	52.9	0	0	0	0	112	K39 R45	K39-T41 HydrophobicContact CG-CG2 4.2Å; K39-T41 PolarHBondContact O-N 3.04Å; T41-R45 CarbonylContact C-O 3.46Å; T41-R45 WeakPolarHBondContact CA-O 3.1Å
42	I	55	Low	48.3	Very low	89 Å²	89	96.3 Å²	96.3	46%	0.456	56%	0.562	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-134.7	101.5	174.3	-58	178.6	0	0	0	106.9	H44 R45 P155	I42-H44 PolarHBondContact O-N 3.08Å; I42-R45 PolarHBondContact N-O 2.88Å; I42-R45 WeakPolarHBondContact O-CB 3.37Å; I42-R45 PolarHBondContact O-N 3Å; I42-P155 HydrophobicContact CD1-CG 4.24Å; I42-P155 HydrophobicContact CG2-CB 4.47Å
43	G	64.2	Low	50.2	Low	71 Å²	71	93.9 Å²	93.9	73%	0.732	54%	0.539	S	S	*	.	T	Hydrogen-bonded Turn	trans	58.7	-118.2	-174.5	0	0	0	0	0	112.2
44	H	60.1	Low	52.4	Low	116 Å²	116	89.7 Å²	89.7	54%	0.537	51%	0.509	S	S	.	.	T	Hydrogen-bonded Turn	trans	-88.5	-4.6	177	-71.7	-27	0	0	0	114.7	I42 Y56 K57	I42-H44 PolarHBondContact O-N 3.08Å; H44-Y56 HydrophobicContact CB-CD2 4.04Å; H44-Y56 HydrophobicContact CB-CE2 3.54Å; H44-Y56 WeakPolarHBondContact O-CA 3.43Å; H44-K57 HydrophobicContact CB-CG 4.02Å; H44-K57 WeakPolarHBondContact CD2-CE 3.4Å; H44-K57 PolarHBondContact O-N 3.41Å
45	R	63.1	Low	54.4	Low	24 Å²	24	84.4 Å²	84.4	9%	0.091	48%	0.476	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.1	137.6	178.8	-164.6	-179.8	-170.4	-167.1	7.4	109.8	T41 I42 T55 Y56 E151 I161	T41-R45 CarbonylContact C-O 3.46Å; T41-R45 WeakPolarHBondContact CA-O 3.1Å; I42-R45 PolarHBondContact N-O 2.88Å; I42-R45 WeakPolarHBondContact O-CB 3.37Å; I42-R45 PolarHBondContact O-N 3Å; R45-T55 CarbonylContact C-O 3.55Å; R45-T55 VanDerWaalsContact CA-O 3.28Å; R45-T55 WeakPolarHBondContact CA-O 3.26Å; R45-Y56 HydrophobicContact CB-CD2 4.47Å; R45-E151 IonicContact CZ-OE1 2.7Å; R45-E151 IonicContact NE-OE1 3.23Å; R45-E151 IonicContact NH2-OE1 3.04Å; R45-E151 PolarHBondContact NH2-OE1 3.13Å; R45-I161 HydrophobicContact CG-CD1 4.3Å
46	G	61.1	Low	56.3	Low	3 Å²	3	79 Å²	79	3%	0.031	44%	0.442	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136	133.2	169.6	0	0	0	0	0	110.1	T55	G46-T55 PolarHBondContact N-O 2.73Å; G46-T55 PolarHBondContact O-N 3.1Å; G46-T55 PolarHBondContact O-OG1 2.77Å
47	V	64.6	Low	58.1	Low	59 Å²	59	72.2 Å²	72.2	36%	0.358	41%	0.41	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.7	134.2	175	-171.9	0	0	0	0	108.4	K40 T54	K40-V47 PolarHBondContact O-N 2.85Å; V47-T54 HydrophobicContact CG2-CG2 4.44Å
48	E	56.5	Low	59.8	Low	62 Å²	62	78.3 Å²	78.3	29%	0.29	43%	0.428	S	S	.	.			trans	-87.9	126.8	172.2	-177.2	162.9	-89.6	0	0	110.8	T50 T51 G52 E53	E48-T50 VanDerWaalsContact C-N 3.31Å; E48-T50 PolarHBondContact O-N 2.99Å; E48-T51 WeakPolarHBondContact CB-OG1 3.48Å; E48-T51 WeakPolarHBondContact CG-OG1 3.28Å; E48-T51 VanDerWaalsContact OE2-CG2 3.29Å; E48-T51 WeakPolarHBondContact OE2-CG2 3.23Å; E48-T51 PolarHBondContact OE2-OG1 3.14Å; E48-G52 VanDerWaalsContact O-CA 3.3Å; E48-G52 WeakPolarHBondContact O-CA 3.23Å; E48-G52 PolarHBondContact O-N 3.31Å; E48-E53 PolarHBondContact N-O 3.3Å
49	T	52.6	Low	61.6	Low	86 Å²	86	71 Å²	71	53%	0.528	39%	0.393	S	S	.	.	T	Hydrogen-bonded Turn	trans	-80.5	-7.9	-168.4	46.4	0	0	0	0	114.7
50	T	52	Low	63.4	Low	115 Å²	115	68 Å²	68	71%	0.706	38%	0.383	S	S	*	.	T	Hydrogen-bonded Turn	trans	-100.5	-36.3	178.5	43.6	0	0	0	0	113	E48	E48-T50 VanDerWaalsContact C-N 3.31Å; E48-T50 PolarHBondContact O-N 2.99Å
51	T	57.6	Low	65.1	Low	89 Å²	89	60.3 Å²	60.3	55%	0.546	35%	0.35	S	S	.	.	T	Hydrogen-bonded Turn	trans	-101.1	-19	-177.9	53.3	0	0	0	0	113	E48 E53	E48-T51 WeakPolarHBondContact CB-OG1 3.48Å; E48-T51 WeakPolarHBondContact CG-OG1 3.28Å; E48-T51 VanDerWaalsContact OE2-CG2 3.29Å; E48-T51 WeakPolarHBondContact OE2-CG2 3.23Å; E48-T51 PolarHBondContact OE2-OG1 3.14Å; T51-E53 PolarHBondContact O-N 2.75Å; T51-E53 PolarHBondContact OG1-N 3.14Å
52	G	61.9	Low	66.8	Low	53 Å²	53	58.5 Å²	58.5	55%	0.546	34%	0.342	S	S	.	.			trans	72.4	-0.8	-167.7	0	0	0	0	0	113.7	E48	E48-G52 VanDerWaalsContact O-CA 3.3Å; E48-G52 WeakPolarHBondContact O-CA 3.23Å; E48-G52 PolarHBondContact O-N 3.31Å
53	E	66.3	Low	68.5	Low	61 Å²	61	54.9 Å²	54.9	29%	0.285	33%	0.325	S	S	.	.			trans	-72.1	134.6	-171.6	-169.7	167.8	-139.9	0	0	112.1	E48 T51 T60 S62	E48-E53 PolarHBondContact N-O 3.3Å; T51-E53 PolarHBondContact O-N 2.75Å; T51-E53 PolarHBondContact OG1-N 3.14Å; E53-T60 WeakPolarHBondContact OE1-CB 3.41Å; E53-T60 WeakPolarHBondContact OE2-CB 3.35Å; E53-T60 WeakPolarHBondContact OE2-CG2 3.37Å; E53-S62 VanDerWaalsContact OE1-CB 3.27Å; E53-S62 WeakPolarHBondContact OE1-CB 3.4Å; E53-S62 PolarHBondContact OE1-OG 3.43Å
54	T	72.1	Confident	69.8	Low	23 Å²	23	51.5 Å²	51.5	14%	0.141	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.3	125.5	175.3	48.1	0	0	0	0	109.7	V47 S61 E151	V47-T54 HydrophobicContact CG2-CG2 4.44Å; T54-S61 WeakPolarHBondContact O-CB 3.35Å; T54-S61 PolarHBondContact O-N 2.88Å; T54-S61 WeakPolarHBondContact OG1-CB 2.95Å; T54-E151 WeakPolarHBondContact CB-OE1 3.32Å; T54-E151 PolarHBondContact OG1-OE1 3.44Å; T54-E151 PolarHBondContact OG1-OE2 3.49Å
55	T	71.9	Confident	71.4	Confident	20 Å²	20	48.2 Å²	48.2	12%	0.123	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.5	139.7	175.9	62.1	0	0	0	0	110.7	R45 G46 T59 T60	R45-T55 CarbonylContact C-O 3.55Å; R45-T55 VanDerWaalsContact CA-O 3.28Å; R45-T55 WeakPolarHBondContact CA-O 3.26Å; G46-T55 PolarHBondContact N-O 2.73Å; G46-T55 PolarHBondContact O-N 3.1Å; G46-T55 PolarHBondContact O-OG1 2.77Å; T55-T59 CarbonylContact C-O 3.54Å; T55-T59 WeakPolarHBondContact CA-O 3.46Å; T55-T60 HydrophobicContact CG2-CG2 4.29Å
56	Y	71.4	Confident	72.9	Confident	11 Å²	11	47.2 Å²	47.2	4%	0.043	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.5	120.2	177.1	-171.2	-97.5	0	0	0	110.3	H44 R45 K58 T59 G159 I161 T174 I218	H44-Y56 HydrophobicContact CB-CD2 4.04Å; H44-Y56 HydrophobicContact CB-CE2 3.54Å; H44-Y56 WeakPolarHBondContact O-CA 3.43Å; R45-Y56 HydrophobicContact CB-CD2 4.47Å; Y56-K58 PolarHBondContact O-N 2.77Å; Y56-K58 VanDerWaalsContact O-N 3.11Å; Y56-T59 PolarHBondContact N-O 3.27Å; Y56-T59 PolarHBondContact O-N 3.24Å; Y56-G159 WeakPolarHBondContact CE2-O 3.34Å; Y56-I161 HydrophobicContact CD2-CD1 3.85Å; Y56-I161 HydrophobicContact CD2-CG1 3.98Å; Y56-I161 HydrophobicContact CG-CD1 4Å; Y56-T174 HydrophobicContact CE1-CG2 4.5Å; Y56-I218 HydrophobicContact CD1-CD1 4.07Å; Y56-I218 HydrophobicContact CD1-CG1 3.96Å; Y56-I218 HydrophobicContact CD1-CG2 4.03Å; Y56-I218 HydrophobicContact CE1-CG1 4.22Å; Y56-I218 HydrophobicContact CE1-CG2 4.03Å
57	K	72.4	Confident	74.6	Confident	42 Å²	42	47.2 Å²	47.2	18%	0.183	27%	0.272	C	S	.	.	T	Hydrogen-bonded Turn	trans	50.3	33.9	-176	-62.4	178.4	179.3	160.6	0	114.3	H44 K216 N217 I218	H44-K57 HydrophobicContact CB-CG 4.02Å; H44-K57 WeakPolarHBondContact CD2-CE 3.4Å; H44-K57 PolarHBondContact O-N 3.41Å; K57-K216 HydrophobicContact CB-CB 4.13Å; K57-K216 HydrophobicContact CB-CG 4.36Å; K57-K216 WeakPolarHBondContact O-CG 3.32Å; K57-N217 PolarHBondContact NZ-O 3.33Å; K57-I218 HydrophobicContact CB-CG1 4.41Å; K57-I218 HydrophobicContact CD-CG1 4.11Å
58	K	72.5	Confident	76.2	Confident	189 Å²	189	44.5 Å²	44.5	82%	0.822	26%	0.255	S	S	*	.	T	Hydrogen-bonded Turn	trans	76.6	-4.2	-173.6	-51.1	-174.2	175.4	-170	0	117	Y56	Y56-K58 PolarHBondContact O-N 2.77Å; Y56-K58 VanDerWaalsContact O-N 3.11Å
59	T	74.2	Confident	78.1	Confident	16 Å²	16	43.3 Å²	43.3	10%	0.098	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.6	140.2	168.1	-49.5	0	0	0	0	109.1	T55 Y56 A63 L64 I218	T55-T59 CarbonylContact C-O 3.54Å; T55-T59 WeakPolarHBondContact CA-O 3.46Å; Y56-T59 PolarHBondContact N-O 3.27Å; Y56-T59 PolarHBondContact O-N 3.24Å; T59-A63 HydrophobicContact CG2-CB 4.22Å; T59-L64 HydrophobicContact CG2-CB 4.1Å; T59-I218 HydrophobicContact CG2-CD1 4.37Å; T59-I218 WeakPolarHBondContact OG1-CD1 3.47Å
60	T	83.9	Confident	80.2	Confident	38 Å²	38	41.3 Å²	41.3	23%	0.233	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.5	154.1	172	62.4	0	0	0	0	110.5	E53 T55 S62 A63 L64	E53-T60 WeakPolarHBondContact OE1-CB 3.41Å; E53-T60 WeakPolarHBondContact OE2-CB 3.35Å; E53-T60 WeakPolarHBondContact OE2-CG2 3.37Å; T55-T60 HydrophobicContact CG2-CG2 4.29Å; T60-S62 VanDerWaalsContact C-N 3.3Å; T60-S62 PolarHBondContact O-N 3.16Å; T60-S62 PolarHBondContact OG1-OG 2.77Å; T60-A63 PolarHBondContact O-N 3.41Å; T60-A63 VanDerWaalsContact OG1-CB 3.23Å; T60-A63 WeakPolarHBondContact OG1-CB 3.31Å; T60-A63 PolarHBondContact OG1-N 3.33Å; T60-L64 WeakPolarHBondContact O-CB 3.46Å; T60-L64 PolarHBondContact O-N 3.15Å
61	S	82.8	Confident	82.4	Confident	4 Å²	4	35.8 Å²	35.8	3%	0.028	20%	0.202	C	C	.	.	H	α-helix	trans	-66.5	-34.8	177.8	-172.2	0	0	0	0	111.8	T54 L64 K65 E151 Y163	T54-S61 WeakPolarHBondContact O-CB 3.35Å; T54-S61 PolarHBondContact O-N 2.88Å; T54-S61 WeakPolarHBondContact OG1-CB 2.95Å; S61-L64 PolarHBondContact O-N 3.32Å; S61-K65 WeakPolarHBondContact O-CB 3.2Å; S61-K65 VanDerWaalsContact O-CG 3.25Å; S61-K65 WeakPolarHBondContact O-CG 3.47Å; S61-K65 PolarHBondContact O-N 3.3Å; S61-E151 WeakPolarHBondContact CB-OE2 3.35Å; S61-E151 PolarHBondContact OG-OE2 2.9Å; S61-Y163 WeakPolarHBondContact OG-CE1 3.33Å; S61-Y163 PolarHBondContact OG-OH 3.42Å
62	S	86.7	Confident	84.3	Confident	57 Å²	57	31.6 Å²	31.6	40%	0.399	18%	0.176	S	C	.	.	H	α-helix	trans	-55.4	-53.5	171	54.3	0	0	0	0	112.2	E53 T60 K65 G66	E53-S62 VanDerWaalsContact OE1-CB 3.27Å; E53-S62 WeakPolarHBondContact OE1-CB 3.4Å; E53-S62 PolarHBondContact OE1-OG 3.43Å; T60-S62 VanDerWaalsContact C-N 3.3Å; T60-S62 PolarHBondContact O-N 3.16Å; T60-S62 PolarHBondContact OG1-OG 2.77Å; S62-K65 PolarHBondContact O-N 3.48Å; S62-G66 PolarHBondContact O-N 3.22Å; S62-G66 VanDerWaalsContact O-N 3.1Å
63	A	90.1	Very high	86	Confident	14 Å²	14	30.9 Å²	30.9	12%	0.116	17%	0.165	C	C	.	.	H	α-helix	trans	-69.1	-34	179.2	0	0	0	0	0	112.8	T59 T60 A67 Y113	T59-A63 HydrophobicContact CG2-CB 4.22Å; T60-A63 PolarHBondContact O-N 3.41Å; T60-A63 VanDerWaalsContact OG1-CB 3.23Å; T60-A63 WeakPolarHBondContact OG1-CB 3.31Å; T60-A63 PolarHBondContact OG1-N 3.33Å; A63-A67 WeakPolarHBondContact O-CB 3.13Å; A63-A67 PolarHBondContact O-N 2.93Å; A63-Y113 HydrophobicContact CB-CD1 3.73Å; A63-Y113 HydrophobicContact CB-CE1 4.39Å; A63-Y113 HydrophobicContact CB-CG 4.37Å
64	L	92.3	Very high	87.5	Confident	0 Å²	0	30.5 Å²	30.5	0%	0	16%	0.163	C	C	.	.	H	α-helix	trans	-65.4	-44.5	175.3	179.7	56.4	0	0	0	111.4	T59 T60 S61 A67 I68 Y163 V211 I218	T59-L64 HydrophobicContact CG2-CB 4.1Å; T60-L64 WeakPolarHBondContact O-CB 3.46Å; T60-L64 PolarHBondContact O-N 3.15Å; S61-L64 PolarHBondContact O-N 3.32Å; L64-A67 PolarHBondContact O-N 3Å; L64-I68 HydrophobicContact CD1-CD1 3.9Å; L64-I68 HydrophobicContact CD1-CG1 4.21Å; L64-I68 HydrophobicContact CG-CD1 3.9Å; L64-I68 WeakPolarHBondContact O-CD1 3.35Å; L64-I68 WeakPolarHBondContact O-CG1 3.29Å; L64-I68 PolarHBondContact O-N 2.85Å; L64-Y163 HydrophobicContact CD2-CE2 4.18Å; L64-Y163 HydrophobicContact CG-CE2 4.31Å; L64-V211 HydrophobicContact CD1-CB 4.21Å; L64-V211 HydrophobicContact CD1-CG1 4.47Å; L64-V211 HydrophobicContact CD1-CG2 4.06Å; L64-I218 HydrophobicContact CD1-CB 4.27Å; L64-I218 HydrophobicContact CD1-CD1 3.99Å; L64-I218 HydrophobicContact CD1-CG2 3.81Å; L64-I218 HydrophobicContact CD2-CD1 4.24Å; L64-I218 HydrophobicContact CD2-CG2 3.92Å
65	K	94.1	Very high	88.6	Confident	46 Å²	46	30 Å²	30	20%	0.2	16%	0.16	C	C	.	.	H	α-helix	trans	-57.8	-55.2	173.9	-71.4	171.1	-173.3	-168.5	0	110.6	S61 S62 A67 I68 Q69 L149 Y163	S61-K65 WeakPolarHBondContact O-CB 3.2Å; S61-K65 VanDerWaalsContact O-CG 3.25Å; S61-K65 WeakPolarHBondContact O-CG 3.47Å; S61-K65 PolarHBondContact O-N 3.3Å; S62-K65 PolarHBondContact O-N 3.48Å; K65-A67 VanDerWaalsContact C-N 3.34Å; K65-A67 PolarHBondContact O-N 3.19Å; K65-I68 WeakPolarHBondContact O-CA 3.1Å; K65-I68 WeakPolarHBondContact O-CB 3.16Å; K65-I68 PolarHBondContact O-N 3.44Å; K65-Q69 WeakPolarHBondContact O-CG 3.2Å; K65-Q69 PolarHBondContact O-N 3Å; K65-L149 HydrophobicContact CB-CD1 4.31Å; K65-L149 HydrophobicContact CD-CB 4.16Å; K65-L149 WeakPolarHBondContact CD-O 3.34Å; K65-L149 WeakPolarHBondContact CE-O 3.46Å; K65-L149 HydrophobicContact CG-CB 4.07Å; K65-L149 HydrophobicContact CG-CD1 4.35Å; K65-L149 PolarHBondContact NZ-O 3.08Å; K65-Y163 HydrophobicContact CD-CD1 4.44Å; K65-Y163 HydrophobicContact CD-CE1 4.15Å; K65-Y163 HydrophobicContact CG-CD1 4.14Å; K65-Y163 HydrophobicContact CG-CE1 3.78Å; K65-Y163 HydrophobicContact CG-CE2 4.41Å
66	G	95	Very high	89.8	Confident	3 Å²	3	29.2 Å²	29.2	3%	0.031	16%	0.155	C	C	.	.	H	α-helix	trans	-58.1	-42	-179.5	0	0	0	0	0	113.8	S62 I68 Q69 L70	S62-G66 PolarHBondContact O-N 3.22Å; S62-G66 VanDerWaalsContact O-N 3.1Å; G66-I68 VanDerWaalsContact C-N 3.32Å; G66-I68 PolarHBondContact O-N 3.12Å; G66-Q69 PolarHBondContact O-N 3.37Å; G66-L70 WeakPolarHBondContact O-CB 3.32Å; G66-L70 WeakPolarHBondContact O-CG 3.15Å; G66-L70 PolarHBondContact O-N 2.91Å
67	A	96.1	Very high	90.8	Very high	4 Å²	4	29.9 Å²	29.9	3%	0.033	17%	0.165	C	C	.	.	H	α-helix	trans	-65.7	-31.1	175.3	0	0	0	0	0	113.6	A63 L64 K65 G71 F116 V211	A63-A67 WeakPolarHBondContact O-CB 3.13Å; A63-A67 PolarHBondContact O-N 2.93Å; L64-A67 PolarHBondContact O-N 3Å; K65-A67 VanDerWaalsContact C-N 3.34Å; K65-A67 PolarHBondContact O-N 3.19Å; A67-G71 PolarHBondContact O-N 2.92Å; A67-G71 VanDerWaalsContact O-N 3.15Å; A67-F116 HydrophobicContact CB-CD1 4.06Å; A67-F116 HydrophobicContact CB-CD2 3.87Å; A67-F116 HydrophobicContact CB-CE1 3.9Å; A67-F116 HydrophobicContact CB-CE2 3.71Å; A67-F116 HydrophobicContact CB-CG 4.05Å; A67-F116 HydrophobicContact CB-CZ 3.74Å; A67-F116 WeakPolarHBondContact O-CE2 3.5Å; A67-V211 HydrophobicContact CB-CG1 3.89Å; A67-V211 HydrophobicContact CB-CG2 4.28Å
68	I	97.2	Very high	91.7	Very high	1 Å²	1	29.5 Å²	29.5	1%	0.005	17%	0.168	C	C	.	.	H	α-helix	trans	-68.8	-47.5	171.4	-69.6	163.3	0	0	0	110.1	L64 K65 G66 G71 I72 L149 Y163 I172 V211 I220	L64-I68 HydrophobicContact CD1-CD1 3.9Å; L64-I68 HydrophobicContact CD1-CG1 4.21Å; L64-I68 HydrophobicContact CG-CD1 3.9Å; L64-I68 WeakPolarHBondContact O-CD1 3.35Å; L64-I68 WeakPolarHBondContact O-CG1 3.29Å; L64-I68 PolarHBondContact O-N 2.85Å; K65-I68 WeakPolarHBondContact O-CA 3.1Å; K65-I68 WeakPolarHBondContact O-CB 3.16Å; K65-I68 PolarHBondContact O-N 3.44Å; G66-I68 VanDerWaalsContact C-N 3.32Å; G66-I68 PolarHBondContact O-N 3.12Å; I68-G71 PolarHBondContact O-N 3.07Å; I68-I72 HydrophobicContact CG2-CD1 3.72Å; I68-I72 HydrophobicContact CG2-CG1 4.4Å; I68-I72 WeakPolarHBondContact O-CB 3.44Å; I68-I72 WeakPolarHBondContact O-CG1 3.47Å; I68-I72 PolarHBondContact O-N 2.94Å; I68-L149 HydrophobicContact CG2-CD1 4.34Å; I68-Y163 HydrophobicContact CD1-CD2 4.3Å; I68-Y163 HydrophobicContact CD1-CE2 4.07Å; I68-I172 HydrophobicContact CG2-CD1 4.06Å; I68-V211 HydrophobicContact CG1-CG2 4.01Å; I68-I220 HydrophobicContact CB-CD1 4.39Å; I68-I220 HydrophobicContact CD1-CD1 3.96Å; I68-I220 HydrophobicContact CD1-CG2 4.19Å; I68-I220 HydrophobicContact CG1-CD1 3.76Å; I68-I220 HydrophobicContact CG2-CD1 3.76Å
69	Q	97.6	Very high	92.7	Very high	37 Å²	37	20.8 Å²	20.8	17%	0.173	13%	0.13	C	C	.	.	H	α-helix	trans	-65.6	-49.4	-176.4	-63.8	-173	-76.9	0	0	111.8	K65 G66 G71 A73 L144 C145 E147 L149	K65-Q69 WeakPolarHBondContact O-CG 3.2Å; K65-Q69 PolarHBondContact O-N 3Å; G66-Q69 PolarHBondContact O-N 3.37Å; Q69-G71 VanDerWaalsContact C-N 3.33Å; Q69-G71 PolarHBondContact O-N 2.83Å; Q69-A73 WeakPolarHBondContact O-CB 3.4Å; Q69-A73 PolarHBondContact O-N 3.35Å; Q69-L144 VanDerWaalsContact CG-O 3.31Å; Q69-L144 WeakPolarHBondContact CG-O 3.2Å; Q69-L144 PolarHBondContact NE2-O 2.88Å; Q69-C145 PolarHBondContact O-SG 3.29Å; Q69-E147 PolarHBondContact NE2-O 3.06Å; Q69-L149 HydrophobicContact CG-CD1 3.78Å; Q69-L149 HydrophobicContact CG-CG 4.26Å
70	L	97.1	Very high	93.4	Very high	44 Å²	44	23.3 Å²	23.3	23%	0.23	15%	0.148	C	C	.	.	H	α-helix	trans	-59.1	-42.9	173.9	-70.2	169.9	0	0	0	112.1	G66 H74 F100 P109 H111 Y113 F116	G66-L70 WeakPolarHBondContact O-CB 3.32Å; G66-L70 WeakPolarHBondContact O-CG 3.15Å; G66-L70 PolarHBondContact O-N 2.91Å; L70-H74 PolarHBondContact O-N 3.46Å; L70-F100 HydrophobicContact CB-CE1 4.07Å; L70-F100 HydrophobicContact CB-CZ 4.47Å; L70-F100 WeakPolarHBondContact O-CZ 3.1Å; L70-P109 HydrophobicContact CD2-CG 4.23Å; L70-H111 HydrophobicContact CD1-CB 3.91Å; L70-Y113 HydrophobicContact CD1-CD2 3.99Å; L70-Y113 HydrophobicContact CD1-CE2 4.08Å; L70-F116 HydrophobicContact CB-CZ 4.21Å; L70-F116 HydrophobicContact CD1-CE1 4.38Å; L70-F116 HydrophobicContact CD1-CZ 4.34Å
71	G	97.6	Very high	93.6	Very high	0 Å²	0	29.6 Å²	29.6	0%	0	18%	0.175	C	C	.	.	H	α-helix	trans	-63.9	-49.5	179.9	0	0	0	0	0	113.2	A67 I68 Q69 T75 F118	A67-G71 PolarHBondContact O-N 2.92Å; A67-G71 VanDerWaalsContact O-N 3.15Å; I68-G71 PolarHBondContact O-N 3.07Å; Q69-G71 VanDerWaalsContact C-N 3.33Å; Q69-G71 PolarHBondContact O-N 2.83Å; G71-T75 WeakPolarHBondContact O-CG2 3.5Å; G71-T75 PolarHBondContact O-N 3.22Å; G71-T75 PolarHBondContact O-OG1 3.07Å; G71-F118 VanDerWaalsContact C-CE1 3.4Å
72	I	98.1	Very high	93.9	Very high	0 Å²	0	33.5 Å²	33.5	0%	0	19%	0.192	C	C	.	.	H	α-helix	trans	-66.8	-42.1	177.8	-66.4	177.1	0	0	0	110.7	I68 H74 T75 V76 F118 Y140 L144 Y209 V222	I68-I72 HydrophobicContact CG2-CD1 3.72Å; I68-I72 HydrophobicContact CG2-CG1 4.4Å; I68-I72 WeakPolarHBondContact O-CB 3.44Å; I68-I72 WeakPolarHBondContact O-CG1 3.47Å; I68-I72 PolarHBondContact O-N 2.94Å; I72-H74 PolarHBondContact O-N 2.92Å; I72-T75 PolarHBondContact O-N 2.94Å; I72-V76 HydrophobicContact CG2-CG2 3.97Å; I72-V76 WeakPolarHBondContact O-CB 3.19Å; I72-V76 PolarHBondContact O-N 3.33Å; I72-F118 HydrophobicContact CG1-CZ 4Å; I72-Y140 HydrophobicContact CG2-CD1 4.45Å; I72-Y140 HydrophobicContact CG2-CE1 3.89Å; I72-L144 HydrophobicContact CD1-CD1 4.42Å; I72-Y209 HydrophobicContact CD1-CD2 4.26Å; I72-Y209 HydrophobicContact CD1-CE2 3.81Å; I72-Y209 HydrophobicContact CG1-CD2 4.37Å; I72-Y209 HydrophobicContact CG1-CE1 4.14Å; I72-Y209 HydrophobicContact CG1-CE2 3.98Å; I72-V222 HydrophobicContact CD1-CG2 4.17Å
73	A	97.3	Very high	94	Very high	39 Å²	39	35.5 Å²	35.5	32%	0.322	21%	0.212	S	C	.	.	H	α-helix	trans	-56.7	-50.3	178	0	0	0	0	0	111.4	Q69 G77 C145	Q69-A73 WeakPolarHBondContact O-CB 3.4Å; Q69-A73 PolarHBondContact O-N 3.35Å; A73-G77 WeakPolarHBondContact O-CA 3.5Å; A73-G77 PolarHBondContact O-N 3.21Å; A73-C145 HydrophobicContact CB-CB 4.14Å
74	H	96.6	Very high	94	Very high	53 Å²	53	41.4 Å²	41.4	25%	0.245	24%	0.237	C	C	.	.	H	α-helix	trans	-63.7	-53.2	176.4	-178	-70.4	0	0	0	112	L70 I72 V76 G77 S78 I98 F100 L107	L70-H74 PolarHBondContact O-N 3.46Å; I72-H74 PolarHBondContact O-N 2.92Å; H74-V76 PolarHBondContact O-N 3.01Å; H74-G77 PolarHBondContact O-N 2.92Å; H74-S78 WeakPolarHBondContact O-CB 3.5Å; H74-S78 PolarHBondContact O-N 2.77Å; H74-S78 PolarHBondContact O-OG 3.18Å; H74-I98 WeakPolarHBondContact CE1-CD1 3.33Å; H74-I98 WeakPolarHBondContact NE2-CD1 3.39Å; H74-F100 HydrophobicContact CB-CE1 4.47Å; H74-F100 HydrophobicContact CB-CZ 3.8Å; H74-L107 PolarHBondContact CD2-O 3.24Å; H74-L107 PolarHBondContact NE2-O 3.38Å
75	T	96.1	Very high	94.1	Very high	12 Å²	12	46.9 Å²	46.9	7%	0.074	26%	0.257	C	S	.	.	H	α-helix	trans	-76.3	-25	-169.1	66.2	0	0	0	0	113.9	G71 I72 L79 I98 F118 T120	G71-T75 WeakPolarHBondContact O-CG2 3.5Å; G71-T75 PolarHBondContact O-N 3.22Å; G71-T75 PolarHBondContact O-OG1 3.07Å; I72-T75 PolarHBondContact O-N 2.94Å; T75-L79 WeakPolarHBondContact O-CB 3.22Å; T75-L79 PolarHBondContact O-N 3.07Å; T75-I98 HydrophobicContact CG2-CG2 4.3Å; T75-F118 HydrophobicContact CG2-CD1 4.03Å; T75-F118 HydrophobicContact CG2-CE1 4.32Å; T75-T120 WeakPolarHBondContact CB-OG1 3.41Å; T75-T120 WeakPolarHBondContact CG2-OG1 3.23Å; T75-T120 PolarHBondContact OG1-OG1 2.99Å; T75-T120 VanDerWaalsContact OG1-OG1 3.09Å
76	V	96.1	Very high	94.1	Very high	4 Å²	4	51 Å²	51	2%	0.024	28%	0.282	C	S	.	.	H	α-helix	trans	-82.5	-42.5	169.9	178.5	0	0	0	0	110.8	I72 H74 S78 L79 S80 P137 Y140 L141	I72-V76 HydrophobicContact CG2-CG2 3.97Å; I72-V76 WeakPolarHBondContact O-CB 3.19Å; I72-V76 PolarHBondContact O-N 3.33Å; H74-V76 PolarHBondContact O-N 3.01Å; V76-S78 PolarHBondContact O-N 3.32Å; V76-L79 PolarHBondContact O-N 3.27Å; V76-L79 VanDerWaalsContact O-N 3.15Å; V76-S80 PolarHBondContact O-N 3.16Å; V76-S80 PolarHBondContact O-OG 2.9Å; V76-S80 VanDerWaalsContact O-OG 3.05Å; V76-P137 HydrophobicContact CG1-CB 4.41Å; V76-Y140 HydrophobicContact CG2-CD1 4.27Å; V76-Y140 HydrophobicContact CG2-CE1 4.04Å; V76-L141 HydrophobicContact CB-CD2 3.94Å; V76-L141 HydrophobicContact CB-CG 4.28Å; V76-L141 HydrophobicContact CG1-CD1 4.09Å; V76-L141 HydrophobicContact CG1-CD2 4.17Å; V76-L141 HydrophobicContact CG1-CG 3.94Å
77	G	93.7	Very high	94.2	Very high	25 Å²	25	51.8 Å²	51.8	26%	0.258	29%	0.286	S	S	.	.	H	α-helix	trans	-60.5	-47	177.9	0	0	0	0	0	113.1	A73 H74 L79 S80	A73-G77 WeakPolarHBondContact O-CA 3.5Å; A73-G77 PolarHBondContact O-N 3.21Å; H74-G77 PolarHBondContact O-N 2.92Å; G77-L79 VanDerWaalsContact C-N 3.31Å; G77-L79 PolarHBondContact O-N 3.07Å; G77-S80 PolarHBondContact O-N 2.95Å
78	S	91.9	Very high	94.2	Very high	33 Å²	33	56 Å²	56	23%	0.231	31%	0.308	C	S	.	.	H	α-helix	trans	-69.5	-24.7	174.7	58.4	0	0	0	0	113.5	H74 V76	H74-S78 WeakPolarHBondContact O-CB 3.5Å; H74-S78 PolarHBondContact O-N 2.77Å; H74-S78 PolarHBondContact O-OG 3.18Å; V76-S78 PolarHBondContact O-N 3.32Å
79	L	91.9	Very high	94.1	Very high	7 Å²	7	62 Å²	62	4%	0.037	34%	0.337	C	S	.	.	H	α-helix	trans	-73.7	-35.6	172.5	176.6	57.8	0	0	0	112	T75 V76 G77 Q81 K82 P123 I124 R127	T75-L79 WeakPolarHBondContact O-CB 3.22Å; T75-L79 PolarHBondContact O-N 3.07Å; V76-L79 PolarHBondContact O-N 3.27Å; V76-L79 VanDerWaalsContact O-N 3.15Å; G77-L79 VanDerWaalsContact C-N 3.31Å; G77-L79 PolarHBondContact O-N 3.07Å; L79-Q81 PolarHBondContact O-N 3.33Å; L79-K82 HydrophobicContact CD1-CB 4.42Å; L79-K82 HydrophobicContact CD1-CD 3.94Å; L79-K82 WeakPolarHBondContact O-CB 3.23Å; L79-K82 PolarHBondContact O-N 2.97Å; L79-P123 HydrophobicContact CD2-CB 4.2Å; L79-I124 HydrophobicContact CD1-CD1 3.72Å; L79-R127 HydrophobicContact CD2-CB 4.11Å
80	S	88.9	Confident	94	Very high	68 Å²	68	66.3 Å²	66.3	48%	0.476	36%	0.357	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65.3	-13.4	174.1	-54.6	0	0	0	0	113.8	V76 G77	V76-S80 PolarHBondContact O-N 3.16Å; V76-S80 PolarHBondContact O-OG 2.9Å; V76-S80 VanDerWaalsContact O-OG 3.05Å; G77-S80 PolarHBondContact O-N 2.95Å
81	Q	88.3	Confident	94.1	Very high	171 Å²	171	64.7 Å²	64.7	80%	0.799	35%	0.349	S	S	*	.	T	Hydrogen-bonded Turn	trans	-89.9	-15.5	172	-63	175.4	-2.2	0	0	113.1	L79	L79-Q81 PolarHBondContact O-N 3.33Å
82	K	89.8	Confident	94	Very high	86 Å²	86	65.1 Å²	65.1	37%	0.374	35%	0.35	S	S	.	.	S	Bend	trans	-81	134.9	176.1	-61	176.4	-171.8	167.5	0	108.4	L79 E84 E96	L79-K82 HydrophobicContact CD1-CB 4.42Å; L79-K82 HydrophobicContact CD1-CD 3.94Å; L79-K82 WeakPolarHBondContact O-CB 3.23Å; L79-K82 PolarHBondContact O-N 2.97Å; K82-E84 PolarHBondContact O-N 3.26Å; K82-E96 IonicContact NZ-OE1 2.67Å; K82-E96 PolarHBondContact NZ-OE1 3.2Å; K82-E96 IonicContact NZ-OE2 3.63Å; K82-E96 PolarHBondContact NZ-OE2 3.46Å
83	A	88.8	Confident	93.9	Very high	99 Å²	99	70.4 Å²	70.4	82%	0.818	38%	0.382	S	S	*	.	P	Polyproline II helix	trans	-57.3	139.2	176.8	0	0	0	0	0	111.6
84	E	89.4	Confident	94	Very high	137 Å²	137	71 Å²	71	64%	0.64	38%	0.382	S	S	*	.	P	Polyproline II helix	trans	-74.2	145.7	-176.5	-56.3	-154.7	116.6	0	0	112.1	K82 R127	K82-E84 PolarHBondContact O-N 3.26Å; E84-R127 VanDerWaalsContact CD-NH1 3.31Å; E84-R127 IonicContact OE1-CZ 3.8Å; E84-R127 IonicContact OE1-NE 2.9Å; E84-R127 IonicContact OE1-NH1 2.79Å; E84-R127 PolarHBondContact OE1-NH1 3.01Å; E84-R127 IonicContact OE2-NH1 3.3Å
85	R	94.4	Very high	94	Very high	115 Å²	115	71.4 Å²	71.4	43%	0.434	39%	0.388	S	S	.	.			trans	-157.4	164.1	178.2	63.1	164.7	-178	82.1	-6.5	111.3	D91 R127	R85-D91 IonicContact CZ-OD1 2.62Å; R85-D91 IonicContact CZ-OD2 2.74Å; R85-D91 IonicContact NH1-OD1 3.56Å; R85-D91 IonicContact NH1-OD2 2.82Å; R85-D91 PolarHBondContact NH1-OD2 3.05Å; R85-D91 IonicContact NH2-OD1 3.52Å; R85-D91 PolarHBondContact NH2-OD1 2.96Å; R85-D91 IonicContact NH2-OD2 3.18Å; R85-D91 PolarHBondContact NH2-OD2 3.2Å; R85-R127 PolarHBondContact O-NH2 2.79Å
86	D	94.1	Very high	94.1	Very high	133 Å²	133	74 Å²	74	71%	0.711	40%	0.4	S	S	*	.	P	Polyproline II helix	trans	-59.4	155.5	172.4	-65.6	-45.1	0	0	0	113.2
87	V	96.6	Very high	94.1	Very high	20 Å²	20	76.8 Å²	76.8	12%	0.121	42%	0.419	C	S	.	.	P	Polyproline II helix	trans	-81.5	125.2	174.5	-170.7	0	0	0	0	109.7	D91 F92 I124 A125 Y128 F191	V87-D91 HydrophobicContact CG1-CB 4.07Å; V87-F92 HydrophobicContact CG1-CE1 3.87Å; V87-F92 HydrophobicContact CG1-CE2 4.3Å; V87-F92 HydrophobicContact CG1-CZ 3.72Å; V87-I124 HydrophobicContact CG2-CG2 4.43Å; V87-A125 HydrophobicContact CG1-CB 4.03Å; V87-Y128 VanDerWaalsContact CG2-CB 3.42Å; V87-Y128 HydrophobicContact CG2-CD1 4.03Å; V87-Y128 HydrophobicContact CG2-CD2 4.15Å; V87-Y128 HydrophobicContact CG2-CG 3.6Å; V87-F191 HydrophobicContact CB-CE2 4.02Å; V87-F191 HydrophobicContact CG2-CE2 4.16Å
88	L	96.8	Very high	94.3	Very high	93 Å²	93	76.8 Å²	76.8	49%	0.487	41%	0.413	S	S	.	.	P	Polyproline II helix	trans	-101.8	159.6	175.2	-56.2	179.6	0	0	0	110.6	Q90 D91	L88-Q90 PolarHBondContact O-N 2.87Å; L88-Q90 VanDerWaalsContact O-N 3.1Å; L88-D91 PolarHBondContact N-OD2 2.82Å; L88-D91 WeakPolarHBondContact O-CB 3.39Å; L88-D91 PolarHBondContact O-N 3.22Å
89	M	95.3	Very high	94.6	Very high	126 Å²	126	79.4 Å²	79.4	62%	0.621	42%	0.42	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.7	-29	-178.8	-170.9	58.1	61	0	0	112.8	D91 F92 P188	M89-D91 VanDerWaalsContact C-N 3.33Å; M89-F92 HydrophobicContact CE-CE2 4.41Å; M89-F92 HydrophobicContact SD-CD2 3.81Å; M89-F92 HydrophobicContact SD-CE2 4.14Å; M89-P188 HydrophobicContact CE-CB 4.29Å; M89-P188 HydrophobicContact SD-CB 4.04Å; M89-P188 HydrophobicContact SD-CG 4.01Å
90	Q	96.4	Very high	94.8	Very high	127 Å²	127	79.1 Å²	79.1	59%	0.593	42%	0.419	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.6	-31.1	175.5	-63.2	81.5	-7.9	0	0	112.5	L88 F92 V93	L88-Q90 PolarHBondContact O-N 2.87Å; L88-Q90 VanDerWaalsContact O-N 3.1Å; Q90-F92 VanDerWaalsContact C-N 3.26Å; Q90-F92 PolarHBondContact O-N 2.87Å; Q90-V93 WeakPolarHBondContact O-CG2 3.46Å; Q90-V93 PolarHBondContact O-N 2.91Å
91	D	97.4	Very high	95.2	Very high	10 Å²	10	76.3 Å²	76.3	5%	0.053	40%	0.399	C	S	.	.	G	3₁₀ helix	trans	-65.6	-29	-176.4	-68.4	-52.1	0	0	0	112.6	R85 V87 L88 M89 V93 V94 A122 I124	R85-D91 IonicContact CZ-OD1 2.62Å; R85-D91 IonicContact CZ-OD2 2.74Å; R85-D91 IonicContact NH1-OD1 3.56Å; R85-D91 IonicContact NH1-OD2 2.82Å; R85-D91 PolarHBondContact NH1-OD2 3.05Å; R85-D91 IonicContact NH2-OD1 3.52Å; R85-D91 PolarHBondContact NH2-OD1 2.96Å; R85-D91 IonicContact NH2-OD2 3.18Å; R85-D91 PolarHBondContact NH2-OD2 3.2Å; V87-D91 HydrophobicContact CG1-CB 4.07Å; L88-D91 PolarHBondContact N-OD2 2.82Å; L88-D91 WeakPolarHBondContact O-CB 3.39Å; L88-D91 PolarHBondContact O-N 3.22Å; M89-D91 VanDerWaalsContact C-N 3.33Å; D91-V93 PolarHBondContact O-N 2.86Å; D91-V94 PolarHBondContact O-N 3.42Å; D91-A122 VanDerWaalsContact O-CA 3.29Å; D91-A122 WeakPolarHBondContact O-CA 3.35Å; D91-A122 WeakPolarHBondContact O-CB 3.47Å; D91-I124 HydrophobicContact CB-CB 4.15Å
92	F	96.9	Very high	95.5	Very high	9 Å²	9	70.6 Å²	70.6	4%	0.039	38%	0.378	C	S	.	.	G	3₁₀ helix	trans	-66.5	-15.3	178.8	-59.1	-60.3	0	0	0	114.1	V87 M89 Q90 A125 F129 L187 P188 F191	V87-F92 HydrophobicContact CG1-CE1 3.87Å; V87-F92 HydrophobicContact CG1-CE2 4.3Å; V87-F92 HydrophobicContact CG1-CZ 3.72Å; M89-F92 HydrophobicContact CE-CE2 4.41Å; M89-F92 HydrophobicContact SD-CD2 3.81Å; M89-F92 HydrophobicContact SD-CE2 4.14Å; Q90-F92 VanDerWaalsContact C-N 3.26Å; Q90-F92 PolarHBondContact O-N 2.87Å; F92-A125 HydrophobicContact CD1-CB 3.69Å; F92-A125 HydrophobicContact CE1-CB 3.68Å; F92-F129 HydrophobicContact CE1-CZ 4.13Å; F92-L187 HydrophobicContact CB-CB 4.34Å; F92-L187 HydrophobicContact CD1-CB 3.5Å; F92-L187 HydrophobicContact CD1-CD1 4.17Å; F92-L187 HydrophobicContact CD1-CG 4.49Å; F92-L187 HydrophobicContact CE1-CB 4.1Å; F92-L187 HydrophobicContact CG-CB 4.16Å; F92-P188 HydrophobicContact CB-CG 4.3Å; F92-P188 HydrophobicContact CD2-CB 4.25Å; F92-P188 HydrophobicContact CD2-CG 3.81Å; F92-P188 HydrophobicContact CE2-CB 4.26Å; F92-P188 HydrophobicContact CE2-CG 4.31Å; F92-P188 HydrophobicContact CG-CG 4.06Å; F92-F191 HydrophobicContact CE1-CB 4.16Å; F92-F191 HydrophobicContact CE1-CD2 4.4Å; F92-F191 HydrophobicContact CZ-CB 3.83Å; F92-F191 AromaticContact CZ-CD2 3.96Å; F92-F191 HydrophobicContact CZ-CD2 3.96Å; F92-F191 AromaticContact CZ-CG 3.89Å; F92-F191 HydrophobicContact CZ-CG 3.89Å
93	V	96.3	Very high	95.8	Very high	111 Å²	111	74.6 Å²	74.6	67%	0.673	40%	0.398	S	S	*	.	G	3₁₀ helix	trans	-112.9	1.7	178	-60.6	0	0	0	0	113.9	Q90 D91	Q90-V93 WeakPolarHBondContact O-CG2 3.46Å; Q90-V93 PolarHBondContact O-N 2.91Å; D91-V93 PolarHBondContact O-N 2.86Å
94	V	97.6	Very high	96.2	Very high	51 Å²	51	70.6 Å²	70.6	31%	0.309	37%	0.366	S	S	.	.			trans	-69.2	138.3	175.7	171.6	0	0	0	0	110.4	D91 E96 A122 P123	D91-V94 PolarHBondContact O-N 3.42Å; V94-E96 HydrophobicContact CG1-CG 4.19Å; V94-A122 PolarHBondContact O-N 3.08Å; V94-P123 HydrophobicContact CG1-CG 4.27Å
95	V	98	Very high	96.4	Very high	63 Å²	63	66.6 Å²	66.6	38%	0.382	35%	0.354	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.8	104	169.4	-169.5	0	0	0	0	109.1	K119 T120 Y121	V95-K119 HydrophobicContact CG1-CB 4.13Å; V95-T120 CarbonylContact C-O 3.44Å; V95-T120 WeakPolarHBondContact CA-O 3.46Å; V95-Y121 HydrophobicContact CB-CD1 4.29Å; V95-Y121 HydrophobicContact CB-CE1 4.49Å; V95-Y121 HydrophobicContact CG1-CD1 3.86Å; V95-Y121 HydrophobicContact CG1-CE1 3.84Å; V95-Y121 HydrophobicContact CG1-CG 4.24Å; V95-Y121 HydrophobicContact CG2-CD1 3.44Å; V95-Y121 VanDerWaalsContact CG2-CD1 3.44Å; V95-Y121 HydrophobicContact CG2-CE1 3.76Å; V95-Y121 HydrophobicContact CG2-CG 4.32Å
96	E	97.4	Very high	96.4	Very high	67 Å²	67	68.5 Å²	68.5	31%	0.313	37%	0.372	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.8	146	171.9	-68.4	-174	159.9	0	0	109.5	K82 V94 K119 T120 P123	K82-E96 IonicContact NZ-OE1 2.67Å; K82-E96 PolarHBondContact NZ-OE1 3.2Å; K82-E96 IonicContact NZ-OE2 3.63Å; K82-E96 PolarHBondContact NZ-OE2 3.46Å; V94-E96 HydrophobicContact CG1-CG 4.19Å; E96-K119 CarbonylContact O-C 3.55Å; E96-K119 VanDerWaalsContact O-CA 3.26Å; E96-K119 WeakPolarHBondContact O-CA 3.39Å; E96-T120 PolarHBondContact N-O 3.43Å; E96-T120 PolarHBondContact O-N 3.45Å; E96-P123 HydrophobicContact CG-CG 4.07Å
97	S	97.3	Very high	96.3	Very high	62 Å²	62	67.5 Å²	67.5	43%	0.434	37%	0.366	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.5	120.7	-170.4	174.3	0	0	0	0	110.4	R117 F118	S97-R117 PolarHBondContact OG-NH1 3.49Å; S97-R117 VanDerWaalsContact OG-NH1 3.11Å; S97-F118 WeakPolarHBondContact CA-O 3.5Å
98	I	97.3	Very high	96.2	Very high	24 Å²	24	66.7 Å²	66.7	12%	0.123	36%	0.362	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.4	148.3	179.2	-173.3	165.7	0	0	0	110.5	H74 T75 F100 L107 T108 R117 F118	H74-I98 WeakPolarHBondContact CE1-CD1 3.33Å; H74-I98 WeakPolarHBondContact NE2-CD1 3.39Å; T75-I98 HydrophobicContact CG2-CG2 4.3Å; I98-F100 HydrophobicContact CG2-CD2 4.2Å; I98-F100 HydrophobicContact CG2-CE2 3.63Å; I98-F100 HydrophobicContact CG2-CZ 4.45Å; I98-L107 HydrophobicContact CD1-CB 4.46Å; I98-T108 HydrophobicContact CD1-CG2 3.6Å; I98-T108 HydrophobicContact CG1-CG2 3.94Å; I98-R117 CarbonylContact O-C 3.51Å; I98-R117 WeakPolarHBondContact O-CA 3.42Å; I98-R117 WeakPolarHBondContact O-CG 3.46Å; I98-F118 HydrophobicContact CG2-CB 4.1Å; I98-F118 PolarHBondContact N-O 2.97Å; I98-F118 PolarHBondContact O-N 2.77Å
99	F	97.2	Very high	96.1	Very high	88 Å²	88	65.9 Å²	65.9	39%	0.386	36%	0.362	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.2	134.6	178	179.9	-123	0	0	0	110.3	P101 T108 D115 F116 R117	F99-P101 HydrophobicContact CD1-CB 4.41Å; F99-P101 HydrophobicContact CD1-CG 4.34Å; F99-P101 HydrophobicContact CE1-CB 3.72Å; F99-P101 HydrophobicContact CE1-CG 4.11Å; F99-P101 HydrophobicContact CZ-CB 4.1Å; F99-P101 WeakPolarHBondContact O-CD 2.99Å; F99-T108 WeakPolarHBondContact O-CG2 3.41Å; F99-D115 HydrophobicContact CE2-CB 4.01Å; F99-D115 HydrophobicContact CZ-CB 3.96Å; F99-F116 VanDerWaalsContact CD2-O 3.27Å; F99-F116 WeakPolarHBondContact CD2-O 3Å; F99-R117 HydrophobicContact CD2-CB 4.36Å
100	F	97.6	Very high	96.1	Very high	1 Å²	1	63.1 Å²	63.1	0%	0.004	36%	0.359	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.5	93.7	177.6	-76.3	-93.3	0	0	0	107.9	L70 H74 I98 T108 H111 D115 F116 F118	L70-F100 HydrophobicContact CB-CE1 4.07Å; L70-F100 HydrophobicContact CB-CZ 4.47Å; L70-F100 WeakPolarHBondContact O-CZ 3.1Å; H74-F100 HydrophobicContact CB-CE1 4.47Å; H74-F100 HydrophobicContact CB-CZ 3.8Å; I98-F100 HydrophobicContact CG2-CD2 4.2Å; I98-F100 HydrophobicContact CG2-CE2 3.63Å; I98-F100 HydrophobicContact CG2-CZ 4.45Å; F100-T108 HydrophobicContact CD1-CG2 3.67Å; F100-T108 HydrophobicContact CD2-CG2 4.43Å; F100-T108 HydrophobicContact CE1-CG2 3.74Å; F100-T108 HydrophobicContact CE2-CG2 4.5Å; F100-T108 HydrophobicContact CG-CG2 4.04Å; F100-T108 HydrophobicContact CZ-CG2 4.17Å; F100-H111 PolarHBondContact O-NE2 2.82Å; F100-D115 WeakPolarHBondContact O-CA 3.49Å; F100-F116 HydrophobicContact CB-CD1 3.82Å; F100-F116 HydrophobicContact CB-CD2 4.21Å; F100-F116 HydrophobicContact CB-CE1 3.46Å; F100-F116 VanDerWaalsContact CB-CE1 3.46Å; F100-F116 HydrophobicContact CB-CE2 3.89Å; F100-F116 HydrophobicContact CB-CG 4.17Å; F100-F116 HydrophobicContact CB-CZ 3.49Å; F100-F116 VanDerWaalsContact CB-CZ 3.49Å; F100-F116 HydrophobicContact CD1-CE1 4.43Å; F100-F116 AromaticContact CD1-CZ 3.92Å; F100-F116 HydrophobicContact CD1-CZ 3.92Å; F100-F116 HydrophobicContact CD2-CD2 4.14Å; F100-F116 HydrophobicContact CD2-CE1 4.48Å; F100-F116 AromaticContact CD2-CE2 3.44Å; F100-F116 HydrophobicContact CD2-CE2 3.44Å; F100-F116 VanDerWaalsContact CD2-CE2 3.44Å; F100-F116 AromaticContact CD2-CZ 3.64Å; F100-F116 HydrophobicContact CD2-CZ 3.64Å; F100-F116 HydrophobicContact CE2-CE2 4.03Å; F100-F116 HydrophobicContact CE2-CZ 4.25Å; F100-F116 HydrophobicContact CG-CD2 4.47Å; F100-F116 AromaticContact CG-CE1 3.94Å; F100-F116 HydrophobicContact CG-CE1 3.94Å; F100-F116 AromaticContact CG-CE2 3.75Å; F100-F116 HydrophobicContact CG-CE2 3.75Å; F100-F116 AromaticContact CG-CZ 3.44Å; F100-F116 HydrophobicContact CG-CZ 3.44Å; F100-F116 VanDerWaalsContact CG-CZ 3.44Å; F100-F116 PolarHBondContact N-O 2.93Å; F100-F116 PolarHBondContact O-N 3.21Å; F100-F118 HydrophobicContact CD2-CB 4.02Å; F100-F118 HydrophobicContact CE2-CB 3.76Å; F100-F118 HydrophobicContact CE2-CG 4.5Å
101	P	96.8	Very high	96	Very high	10 Å²	10	58.1 Å²	58.1	7%	0.065	34%	0.336	C	S	.	.			trans	-75.5	145.9	168	30.9	-33.5	0	0	0	110.7	F99 E103 G104 H111	F99-P101 HydrophobicContact CD1-CB 4.41Å; F99-P101 HydrophobicContact CD1-CG 4.34Å; F99-P101 HydrophobicContact CE1-CB 3.72Å; F99-P101 HydrophobicContact CE1-CG 4.11Å; F99-P101 HydrophobicContact CZ-CB 4.1Å; F99-P101 WeakPolarHBondContact O-CD 2.99Å; P101-E103 VanDerWaalsContact C-N 3.32Å; P101-E103 HydrophobicContact CB-CG 4.17Å; P101-E103 PolarHBondContact O-N 3.07Å; P101-G104 WeakPolarHBondContact CG-O 3.48Å; P101-G104 WeakPolarHBondContact O-CA 3.49Å; P101-G104 PolarHBondContact O-N 2.86Å; P101-H111 PolarHBondContact O-NE2 2.88Å
102	S	95.1	Very high	95.7	Very high	51 Å²	51	65.3 Å²	65.3	36%	0.357	37%	0.368	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57.6	-39.3	178.2	46.9	0	0	0	0	113.9	G104 A110 H111 Y113 D115	S102-G104 PolarHBondContact O-N 3.31Å; S102-A110 WeakPolarHBondContact O-CA 3.28Å; S102-H111 PolarHBondContact O-N 2.9Å; S102-Y113 WeakPolarHBondContact CB-O 3.1Å; S102-D115 VanDerWaalsContact CB-OD1 3.28Å; S102-D115 WeakPolarHBondContact CB-OD1 3.24Å; S102-D115 PolarHBondContact N-OD1 3.25Å; S102-D115 PolarHBondContact OG-OD1 2.86Å
103	E	96.1	Very high	95.4	Very high	170 Å²	170	67.2 Å²	67.2	79%	0.794	38%	0.376	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.8	-11	173.4	58.4	179.1	-173.2	0	0	114.6	P101 A110	P101-E103 VanDerWaalsContact C-N 3.32Å; P101-E103 HydrophobicContact CB-CG 4.17Å; P101-E103 PolarHBondContact O-N 3.07Å; E103-A110 WeakPolarHBondContact O-CB 3.4Å
104	G	95.5	Very high	95.2	Very high	15 Å²	15	66.1 Å²	66.1	16%	0.155	37%	0.373	C	S	.	.			trans	82.7	175.6	-174.8	0	0	0	0	0	113.7	P101 S102	P101-G104 WeakPolarHBondContact CG-O 3.48Å; P101-G104 WeakPolarHBondContact O-CA 3.49Å; P101-G104 PolarHBondContact O-N 2.86Å; S102-G104 PolarHBondContact O-N 3.31Å
105	S	95.3	Very high	95	Very high	53 Å²	53	67.3 Å²	67.3	37%	0.371	38%	0.378	S	S	.	.			trans	-149.3	179.4	179	75.1	0	0	0	0	111.2	L107 T108	S105-L107 PolarHBondContact O-N 2.93Å; S105-L107 PolarHBondContact OG-N 3.45Å; S105-L107 VanDerWaalsContact OG-N 3.1Å; S105-T108 PolarHBondContact N-O 2.87Å; S105-T108 PolarHBondContact OG-N 2.84Å; S105-T108 PolarHBondContact OG-OG1 2.77Å
106	N	93.6	Very high	95	Very high	154 Å²	154	64.4 Å²	64.4	82%	0.824	36%	0.36	S	S	*	.	S	Bend	trans	-68.6	-5.7	170.7	69	-56.6	0	0	0	114
107	L	91.8	Very high	95	Very high	112 Å²	112	65.8 Å²	65.8	59%	0.586	36%	0.362	S	S	*	.	S	Bend	trans	-118.2	-24.8	178.4	-59.6	178.2	0	0	0	113.1	H74 I98 S105	H74-L107 PolarHBondContact CD2-O 3.24Å; H74-L107 PolarHBondContact NE2-O 3.38Å; I98-L107 HydrophobicContact CD1-CB 4.46Å; S105-L107 PolarHBondContact O-N 2.93Å; S105-L107 PolarHBondContact OG-N 3.45Å; S105-L107 VanDerWaalsContact OG-N 3.1Å
108	T	95.4	Very high	95	Very high	4 Å²	4	62.9 Å²	62.9	3%	0.025	34%	0.342	C	S	.	.	S	Bend	trans	-132.3	137.5	-170.8	60.3	0	0	0	0	111.6	I98 F99 F100 S105	I98-T108 HydrophobicContact CD1-CG2 3.6Å; I98-T108 HydrophobicContact CG1-CG2 3.94Å; F99-T108 WeakPolarHBondContact O-CG2 3.41Å; F100-T108 HydrophobicContact CD1-CG2 3.67Å; F100-T108 HydrophobicContact CD2-CG2 4.43Å; F100-T108 HydrophobicContact CE1-CG2 3.74Å; F100-T108 HydrophobicContact CE2-CG2 4.5Å; F100-T108 HydrophobicContact CG-CG2 4.04Å; F100-T108 HydrophobicContact CZ-CG2 4.17Å; S105-T108 PolarHBondContact N-O 2.87Å; S105-T108 PolarHBondContact OG-N 2.84Å; S105-T108 PolarHBondContact OG-OG1 2.77Å
109	P	93.7	Very high	95.1	Very high	76 Å²	76	63.8 Å²	63.8	49%	0.494	35%	0.345	S	S	.	.			trans	-65.4	151.8	175.9	29.8	-35.9	0	0	0	111.7	L70	L70-P109 HydrophobicContact CD2-CG 4.23Å
110	A	94.9	Very high	95.2	Very high	68 Å²	68	60 Å²	60	56%	0.562	33%	0.329	S	S	*	.			trans	-65.8	151.7	170.6	0	0	0	0	0	111.5	S102 E103	S102-A110 WeakPolarHBondContact O-CA 3.28Å; E103-A110 WeakPolarHBondContact O-CB 3.4Å
111	H	94.5	Very high	95.2	Very high	22 Å²	22	60.8 Å²	60.8	10%	0.102	33%	0.332	C	S	.	.			trans	-154.3	154.5	-177	57.9	63.3	0	0	0	113.7	L70 F100 P101 S102 Y113 F116	L70-H111 HydrophobicContact CD1-CB 3.91Å; F100-H111 PolarHBondContact O-NE2 2.82Å; P101-H111 PolarHBondContact O-NE2 2.88Å; S102-H111 PolarHBondContact O-N 2.9Å; H111-Y113 VanDerWaalsContact C-N 3.26Å; H111-Y113 HydrophobicContact CB-CD2 4.16Å; H111-Y113 PolarHBondContact CE1-O 2.85Å; H111-Y113 PolarHBondContact ND1-N 3.24Å; H111-Y113 PolarHBondContact ND1-O 2.9Å; H111-Y113 PolarHBondContact O-N 2.9Å; H111-F116 AromaticContact CE1-CD1 3.98Å; H111-F116 AromaticContact CE1-CE1 3.84Å; H111-F116 AromaticContact NE2-CD1 3.86Å; H111-F116 AromaticContact NE2-CE1 3.4Å; H111-F116 WeakPolarHBondContact NE2-CE1 3.16Å
112	H	92.2	Very high	95.3	Very high	160 Å²	160	60.4 Å²	60.4	74%	0.741	33%	0.329	S	S	*	.	S	Bend	trans	-77.8	-4.7	-180	64.1	-91.7	0	0	0	114.7
113	Y	90.3	Very high	95.4	Very high	50 Å²	50	58.1 Å²	58.1	20%	0.196	31%	0.314	C	S	.	.	S	Bend	trans	-80.1	158.2	172.5	-48.2	-58.9	0	0	0	111.4	A63 L70 S102 H111	A63-Y113 HydrophobicContact CB-CD1 3.73Å; A63-Y113 HydrophobicContact CB-CE1 4.39Å; A63-Y113 HydrophobicContact CB-CG 4.37Å; L70-Y113 HydrophobicContact CD1-CD2 3.99Å; L70-Y113 HydrophobicContact CD1-CE2 4.08Å; S102-Y113 WeakPolarHBondContact CB-O 3.1Å; H111-Y113 VanDerWaalsContact C-N 3.26Å; H111-Y113 HydrophobicContact CB-CD2 4.16Å; H111-Y113 PolarHBondContact CE1-O 2.85Å; H111-Y113 PolarHBondContact ND1-N 3.24Å; H111-Y113 PolarHBondContact ND1-O 2.9Å; H111-Y113 PolarHBondContact O-N 2.9Å
114	S	90.8	Very high	95.5	Very high	88 Å²	88	51 Å²	51	62%	0.615	28%	0.281	S	S	*	.	P	Polyproline II helix	trans	-69.3	151.3	170.4	49.7	0	0	0	0	112.2	F116	S114-F116 PolarHBondContact O-N 3.49Å
115	D	95.1	Very high	95.6	Very high	75 Å²	75	50.3 Å²	50.3	40%	0.401	27%	0.273	S	S	.	.	P	Polyproline II helix	trans	-46.8	129.2	-178.6	-66.6	16.2	0	0	0	113.4	F99 F100 S102	F99-D115 HydrophobicContact CE2-CB 4.01Å; F99-D115 HydrophobicContact CZ-CB 3.96Å; F100-D115 WeakPolarHBondContact O-CA 3.49Å; S102-D115 VanDerWaalsContact CB-OD1 3.28Å; S102-D115 WeakPolarHBondContact CB-OD1 3.24Å; S102-D115 PolarHBondContact N-OD1 3.25Å; S102-D115 PolarHBondContact OG-OD1 2.86Å
116	F	96.7	Very high	95.7	Very high	3 Å²	3	48 Å²	48	1%	0.013	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.3	156.1	179.6	70.9	-84.1	0	0	0	112.6	A67 L70 F99 F100 H111 S114 F118 V211 Q212 A213	A67-F116 HydrophobicContact CB-CD1 4.06Å; A67-F116 HydrophobicContact CB-CD2 3.87Å; A67-F116 HydrophobicContact CB-CE1 3.9Å; A67-F116 HydrophobicContact CB-CE2 3.71Å; A67-F116 HydrophobicContact CB-CG 4.05Å; A67-F116 HydrophobicContact CB-CZ 3.74Å; A67-F116 WeakPolarHBondContact O-CE2 3.5Å; L70-F116 HydrophobicContact CB-CZ 4.21Å; L70-F116 HydrophobicContact CD1-CE1 4.38Å; L70-F116 HydrophobicContact CD1-CZ 4.34Å; F99-F116 VanDerWaalsContact CD2-O 3.27Å; F99-F116 WeakPolarHBondContact CD2-O 3Å; F100-F116 HydrophobicContact CB-CD1 3.82Å; F100-F116 HydrophobicContact CB-CD2 4.21Å; F100-F116 HydrophobicContact CB-CE1 3.46Å; F100-F116 VanDerWaalsContact CB-CE1 3.46Å; F100-F116 HydrophobicContact CB-CE2 3.89Å; F100-F116 HydrophobicContact CB-CG 4.17Å; F100-F116 HydrophobicContact CB-CZ 3.49Å; F100-F116 VanDerWaalsContact CB-CZ 3.49Å; F100-F116 HydrophobicContact CD1-CE1 4.43Å; F100-F116 AromaticContact CD1-CZ 3.92Å; F100-F116 HydrophobicContact CD1-CZ 3.92Å; F100-F116 HydrophobicContact CD2-CD2 4.14Å; F100-F116 HydrophobicContact CD2-CE1 4.48Å; F100-F116 AromaticContact CD2-CE2 3.44Å; F100-F116 HydrophobicContact CD2-CE2 3.44Å; F100-F116 VanDerWaalsContact CD2-CE2 3.44Å; F100-F116 AromaticContact CD2-CZ 3.64Å; F100-F116 HydrophobicContact CD2-CZ 3.64Å; F100-F116 HydrophobicContact CE2-CE2 4.03Å; F100-F116 HydrophobicContact CE2-CZ 4.25Å; F100-F116 HydrophobicContact CG-CD2 4.47Å; F100-F116 AromaticContact CG-CE1 3.94Å; F100-F116 HydrophobicContact CG-CE1 3.94Å; F100-F116 AromaticContact CG-CE2 3.75Å; F100-F116 HydrophobicContact CG-CE2 3.75Å; F100-F116 AromaticContact CG-CZ 3.44Å; F100-F116 HydrophobicContact CG-CZ 3.44Å; F100-F116 VanDerWaalsContact CG-CZ 3.44Å; F100-F116 PolarHBondContact N-O 2.93Å; F100-F116 PolarHBondContact O-N 3.21Å; H111-F116 AromaticContact CE1-CD1 3.98Å; H111-F116 AromaticContact CE1-CE1 3.84Å; H111-F116 AromaticContact NE2-CD1 3.86Å; H111-F116 AromaticContact NE2-CE1 3.4Å; H111-F116 WeakPolarHBondContact NE2-CE1 3.16Å; S114-F116 PolarHBondContact O-N 3.49Å; F116-F118 HydrophobicContact CD2-CB 4.4Å; F116-F118 HydrophobicContact CE2-CB 4.14Å; F116-F118 HydrophobicContact CE2-CD2 4.36Å; F116-V211 HydrophobicContact CB-CG1 4.33Å; F116-V211 HydrophobicContact CD2-CG1 4.18Å; F116-Q212 WeakPolarHBondContact CA-O 3.42Å; F116-A213 HydrophobicContact CB-CB 4.07Å
117	R	97.6	Very high	95.9	Very high	95 Å²	95	41.7 Å²	41.7	36%	0.358	22%	0.221	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.3	122.7	171.4	178.7	175.9	-73.9	-87.4	6.8	109.2	S97 I98 F99 Q212	S97-R117 PolarHBondContact OG-NH1 3.49Å; S97-R117 VanDerWaalsContact OG-NH1 3.11Å; I98-R117 CarbonylContact O-C 3.51Å; I98-R117 WeakPolarHBondContact O-CA 3.42Å; I98-R117 WeakPolarHBondContact O-CG 3.46Å; F99-R117 HydrophobicContact CD2-CB 4.36Å; R117-Q212 HydrophobicContact CB-CB 4.24Å; R117-Q212 PolarHBondContact N-O 3.15Å; R117-Q212 WeakPolarHBondContact O-CB 3.02Å; R117-Q212 PolarHBondContact O-N 2.86Å
118	F	98.3	Very high	96.1	Very high	1 Å²	1	38 Å²	38	0%	0.004	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.2	136.4	177.5	-162.3	-102.2	0	0	0	110.1	G71 I72 T75 S97 I98 F100 F116 Y209 V211	G71-F118 VanDerWaalsContact C-CE1 3.4Å; I72-F118 HydrophobicContact CG1-CZ 4Å; T75-F118 HydrophobicContact CG2-CD1 4.03Å; T75-F118 HydrophobicContact CG2-CE1 4.32Å; S97-F118 WeakPolarHBondContact CA-O 3.5Å; I98-F118 HydrophobicContact CG2-CB 4.1Å; I98-F118 PolarHBondContact N-O 2.97Å; I98-F118 PolarHBondContact O-N 2.77Å; F100-F118 HydrophobicContact CD2-CB 4.02Å; F100-F118 HydrophobicContact CE2-CB 3.76Å; F100-F118 HydrophobicContact CE2-CG 4.5Å; F116-F118 HydrophobicContact CD2-CB 4.4Å; F116-F118 HydrophobicContact CE2-CB 4.14Å; F116-F118 HydrophobicContact CE2-CD2 4.36Å; F118-Y209 AromaticContact CE1-CD1 3.52Å; F118-Y209 HydrophobicContact CE1-CD1 3.52Å; F118-Y209 HydrophobicContact CE1-CE1 4.22Å; F118-Y209 HydrophobicContact CE1-CG 4.11Å; F118-Y209 AromaticContact CZ-CD1 3.59Å; F118-Y209 HydrophobicContact CZ-CD1 3.59Å; F118-Y209 HydrophobicContact CZ-CE1 4.38Å; F118-Y209 AromaticContact CZ-CG 3.71Å; F118-Y209 HydrophobicContact CZ-CG 3.71Å; F118-V211 HydrophobicContact CD2-CG2 3.97Å; F118-V211 HydrophobicContact CE2-CG2 4Å
119	K	98.5	Very high	96.1	Very high	44 Å²	44	37.9 Å²	37.9	19%	0.191	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.6	130.8	178	-56.3	178.8	-173.1	170.8	0	110.3	V95 E96 Y121 Y209 C210 Q212	V95-K119 HydrophobicContact CG1-CB 4.13Å; E96-K119 CarbonylContact O-C 3.55Å; E96-K119 VanDerWaalsContact O-CA 3.26Å; E96-K119 WeakPolarHBondContact O-CA 3.39Å; K119-Y121 HydrophobicContact CB-CE2 4.4Å; K119-Y209 CarbonylContact O-C 3.39Å; K119-Y209 WeakPolarHBondContact O-CA 3.23Å; K119-C210 HydrophobicContact CB-CB 4.22Å; K119-C210 PolarHBondContact N-O 2.78Å; K119-C210 PolarHBondContact O-N 2.8Å; K119-Q212 VanDerWaalsContact CE-OE1 3.23Å
120	T	98.6	Very high	96.2	Very high	8 Å²	8	34.8 Å²	34.8	5%	0.049	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.6	121.1	176.9	-59.1	0	0	0	0	109	T75 V95 E96 P123 Y209	T75-T120 WeakPolarHBondContact CB-OG1 3.41Å; T75-T120 WeakPolarHBondContact CG2-OG1 3.23Å; T75-T120 PolarHBondContact OG1-OG1 2.99Å; T75-T120 VanDerWaalsContact OG1-OG1 3.09Å; V95-T120 CarbonylContact C-O 3.44Å; V95-T120 WeakPolarHBondContact CA-O 3.46Å; E96-T120 PolarHBondContact N-O 3.43Å; E96-T120 PolarHBondContact O-N 3.45Å; T120-P123 HydrophobicContact CG2-CB 3.92Å; T120-Y209 HydrophobicContact CG2-CD1 3.93Å; T120-Y209 HydrophobicContact CG2-CE1 3.79Å
121	Y	98.7	Very high	96.1	Very high	18 Å²	18	36.5 Å²	36.5	7%	0.071	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.8	138.9	179.5	-63	-98.3	0	0	0	109.7	V95 K119 F126 Q184 L208 C210 R219	V95-Y121 HydrophobicContact CB-CD1 4.29Å; V95-Y121 HydrophobicContact CB-CE1 4.49Å; V95-Y121 HydrophobicContact CG1-CD1 3.86Å; V95-Y121 HydrophobicContact CG1-CE1 3.84Å; V95-Y121 HydrophobicContact CG1-CG 4.24Å; V95-Y121 HydrophobicContact CG2-CD1 3.44Å; V95-Y121 VanDerWaalsContact CG2-CD1 3.44Å; V95-Y121 HydrophobicContact CG2-CE1 3.76Å; V95-Y121 HydrophobicContact CG2-CG 4.32Å; K119-Y121 HydrophobicContact CB-CE2 4.4Å; Y121-F126 WeakPolarHBondContact O-CD2 3.42Å; Y121-F126 WeakPolarHBondContact O-CE2 3.31Å; Y121-Q184 VanDerWaalsContact CD1-CD 3.46Å; Y121-Q184 HydrophobicContact CD1-CG 4.34Å; Y121-L208 HydrophobicContact CD1-CD2 4.47Å; Y121-L208 HydrophobicContact CD2-CD2 4.26Å; Y121-L208 HydrophobicContact CD2-CG 3.79Å; Y121-L208 WeakPolarHBondContact CD2-O 3.39Å; Y121-L208 HydrophobicContact CG-CD2 3.93Å; Y121-L208 HydrophobicContact CG-CG 3.93Å; Y121-L208 PolarHBondContact N-O 2.7Å; Y121-C210 HydrophobicContact CE2-CB 3.82Å; Y121-R219 PolarHBondContact OH-NE 3.39Å
122	A	98.3	Very high	95.9	Very high	1 Å²	1	38.5 Å²	38.5	1%	0.008	18%	0.184	C	C	.	.	S	Bend	trans	43.1	51.3	177.7	0	0	0	0	0	115.6	D91 V94 I124 A125 F126 L187	D91-A122 VanDerWaalsContact O-CA 3.29Å; D91-A122 WeakPolarHBondContact O-CA 3.35Å; D91-A122 WeakPolarHBondContact O-CB 3.47Å; V94-A122 PolarHBondContact O-N 3.08Å; A122-I124 VanDerWaalsContact C-N 3.3Å; A122-I124 PolarHBondContact O-N 2.88Å; A122-I124 VanDerWaalsContact O-N 3.17Å; A122-A125 HydrophobicContact CB-CB 4.07Å; A122-A125 PolarHBondContact O-N 2.99Å; A122-F126 HydrophobicContact CB-CD2 4.13Å; A122-F126 HydrophobicContact CB-CE2 4.13Å; A122-F126 WeakPolarHBondContact O-CD2 3.26Å; A122-F126 PolarHBondContact O-N 2.85Å; A122-L187 HydrophobicContact CB-CD1 3.57Å
123	P	97.9	Very high	95.8	Very high	4 Å²	4	32.2 Å²	32.2	3%	0.026	15%	0.154	C	C	.	.	H	α-helix	trans	-56.1	-38.8	-168.9	19.8	-31.8	0	0	0	114.2	L79 V94 E96 T120 F126 R127	L79-P123 HydrophobicContact CD2-CB 4.2Å; V94-P123 HydrophobicContact CG1-CG 4.27Å; E96-P123 HydrophobicContact CG-CG 4.07Å; T120-P123 HydrophobicContact CG2-CB 3.92Å; P123-F126 PolarHBondContact O-N 2.91Å; P123-R127 PolarHBondContact O-N 2.71Å
124	I	97.6	Very high	95.8	Very high	20 Å²	20	32.7 Å²	32.7	10%	0.103	18%	0.175	C	C	.	.	H	α-helix	trans	-68	-42.2	179	-51	-54.8	0	0	0	111.3	L79 V87 D91 A122 F126 R127 Y128	L79-I124 HydrophobicContact CD1-CD1 3.72Å; V87-I124 HydrophobicContact CG2-CG2 4.43Å; D91-I124 HydrophobicContact CB-CB 4.15Å; A122-I124 VanDerWaalsContact C-N 3.3Å; A122-I124 PolarHBondContact O-N 2.88Å; A122-I124 VanDerWaalsContact O-N 3.17Å; I124-F126 PolarHBondContact O-N 3.01Å; I124-R127 PolarHBondContact O-N 3.27Å; I124-Y128 PolarHBondContact O-N 2.88Å; I124-Y128 VanDerWaalsContact O-N 3.1Å
125	A	97.8	Very high	95.9	Very high	0 Å²	0	29 Å²	29	0%	0	15%	0.148	C	C	.	.	H	α-helix	trans	-63.6	-40.7	176.2	0	0	0	0	0	111.5	V87 F92 A122 Y128 F129	V87-A125 HydrophobicContact CG1-CB 4.03Å; F92-A125 HydrophobicContact CD1-CB 3.69Å; F92-A125 HydrophobicContact CE1-CB 3.68Å; A122-A125 HydrophobicContact CB-CB 4.07Å; A122-A125 PolarHBondContact O-N 2.99Å; A125-Y128 PolarHBondContact O-N 3.09Å; A125-F129 HydrophobicContact CB-CE2 4.04Å; A125-F129 HydrophobicContact CB-CZ 4.16Å; A125-F129 WeakPolarHBondContact O-CD1 3.26Å; A125-F129 VanDerWaalsContact O-CD2 3.26Å; A125-F129 WeakPolarHBondContact O-CD2 3.45Å; A125-F129 WeakPolarHBondContact O-CG 3.41Å; A125-F129 PolarHBondContact O-N 2.04Å
126	F	98.2	Very high	95.9	Very high	4 Å²	4	30.8 Å²	30.8	2%	0.018	15%	0.149	C	C	.	.	H	α-helix	trans	-75.1	-20.9	176.4	-75	-70.1	0	0	0	114.4	Y121 A122 P123 I124 F129 R130 L187 F205 Y206 L208	Y121-F126 WeakPolarHBondContact O-CD2 3.42Å; Y121-F126 WeakPolarHBondContact O-CE2 3.31Å; A122-F126 HydrophobicContact CB-CD2 4.13Å; A122-F126 HydrophobicContact CB-CE2 4.13Å; A122-F126 WeakPolarHBondContact O-CD2 3.26Å; A122-F126 PolarHBondContact O-N 2.85Å; P123-F126 PolarHBondContact O-N 2.91Å; I124-F126 PolarHBondContact O-N 3.01Å; F126-F129 AromaticContact CD1-CD2 3.69Å; F126-F129 HydrophobicContact CD1-CD2 3.69Å; F126-F129 HydrophobicContact CD1-CE2 4.36Å; F126-F129 AromaticContact CE1-CD2 3.96Å; F126-F129 HydrophobicContact CE1-CD2 3.96Å; F126-F129 HydrophobicContact CE1-CE2 4.33Å; F126-F129 HydrophobicContact CG-CD2 4.27Å; F126-R130 WeakPolarHBondContact O-CG 3.35Å; F126-R130 PolarHBondContact O-N 3.4Å; F126-R130 PolarHBondContact O-NE 2.73Å; F126-L187 HydrophobicContact CE2-CD1 4.04Å; F126-L187 HydrophobicContact CZ-CD1 4.27Å; F126-L187 HydrophobicContact CZ-CD2 4.01Å; F126-F205 HydrophobicContact CE1-CB 3.9Å; F126-Y206 VanDerWaalsContact CD1-C 3.48Å; F126-L208 HydrophobicContact CE2-CB 3.73Å; F126-L208 HydrophobicContact CZ-CB 3.73Å
127	R	97	Very high	95.8	Very high	23 Å²	23	32.8 Å²	32.8	9%	0.087	16%	0.162	C	C	.	.	H	α-helix	trans	-63.2	-55.2	162.9	-173.6	-178.2	63.7	68.1	11.3	109.7	L79 E84 R85 P123 I124 F129 R130 E131	L79-R127 HydrophobicContact CD2-CB 4.11Å; E84-R127 VanDerWaalsContact CD-NH1 3.31Å; E84-R127 IonicContact OE1-CZ 3.8Å; E84-R127 IonicContact OE1-NE 2.9Å; E84-R127 IonicContact OE1-NH1 2.79Å; E84-R127 PolarHBondContact OE1-NH1 3.01Å; E84-R127 IonicContact OE2-NH1 3.3Å; R85-R127 PolarHBondContact O-NH2 2.79Å; P123-R127 PolarHBondContact O-N 2.71Å; I124-R127 PolarHBondContact O-N 3.27Å; R127-F129 VanDerWaalsContact C-N 3.33Å; R127-F129 PolarHBondContact O-N 2.68Å; R127-R130 PolarHBondContact O-N 2.95Å; R127-R130 VanDerWaalsContact O-N 3.13Å; R127-E131 IonicContact NH1-OE2 2.72Å; R127-E131 PolarHBondContact NH1-OE2 3.02Å; R127-E131 PolarHBondContact O-N 2.91Å
128	Y	96.3	Very high	95.6	Very high	35 Å²	35	32.7 Å²	32.7	14%	0.137	17%	0.169	C	C	.	.	H	α-helix	trans	-58.9	-38.1	179.2	177.2	-96.3	0	0	0	113.4	V87 I124 A125 E131 M132 F191 I194 N195	V87-Y128 VanDerWaalsContact CG2-CB 3.42Å; V87-Y128 HydrophobicContact CG2-CD1 4.03Å; V87-Y128 HydrophobicContact CG2-CD2 4.15Å; V87-Y128 HydrophobicContact CG2-CG 3.6Å; I124-Y128 PolarHBondContact O-N 2.88Å; I124-Y128 VanDerWaalsContact O-N 3.1Å; A125-Y128 PolarHBondContact O-N 3.09Å; Y128-E131 PolarHBondContact O-N 2.88Å; Y128-M132 HydrophobicContact CD1-CG 4.06Å; Y128-M132 HydrophobicContact CD2-CG 4.28Å; Y128-M132 HydrophobicContact CE1-CG 3.61Å; Y128-M132 HydrophobicContact CE2-CG 3.87Å; Y128-M132 HydrophobicContact CE2-SD 4.22Å; Y128-M132 HydrophobicContact CG-CG 4.37Å; Y128-M132 VanDerWaalsContact O-CB 3.31Å; Y128-M132 WeakPolarHBondContact O-CB 3.33Å; Y128-M132 VanDerWaalsContact O-CG 3.26Å; Y128-M132 WeakPolarHBondContact O-CG 3.31Å; Y128-M132 PolarHBondContact O-N 2.95Å; Y128-F191 AromaticContact CD1-CD2 3.78Å; Y128-F191 HydrophobicContact CD1-CD2 3.78Å; Y128-F191 AromaticContact CD1-CE2 3.62Å; Y128-F191 HydrophobicContact CD1-CE2 3.62Å; Y128-F191 AromaticContact CE1-CD2 3.49Å; Y128-F191 HydrophobicContact CE1-CD2 3.49Å; Y128-F191 VanDerWaalsContact CE1-CD2 3.49Å; Y128-F191 AromaticContact CE1-CE2 3.17Å; Y128-F191 HydrophobicContact CE1-CE2 3.17Å; Y128-F191 HydrophobicContact CE1-CZ 4.08Å; Y128-F191 HydrophobicContact CE2-CE2 4.46Å; Y128-F191 HydrophobicContact CG-CE2 4.42Å; Y128-F191 AromaticContact CZ-CE2 3.65Å; Y128-I194 HydrophobicContact CE1-CD1 4.26Å; Y128-N195 PolarHBondContact OH-ND2 3.17Å; Y128-N195 PolarHBondContact OH-OD1 3.04Å
129	F	96	Very high	95.4	Very high	0 Å²	0	34.8 Å²	34.8	0%	0	18%	0.18	C	C	.	.	H	α-helix	trans	-66.3	-39.6	176.1	-60.9	-28.9	0	0	0	112.6	F92 A125 F126 R127 F133 L187 Y190 F191 I194	F92-F129 HydrophobicContact CE1-CZ 4.13Å; A125-F129 HydrophobicContact CB-CE2 4.04Å; A125-F129 HydrophobicContact CB-CZ 4.16Å; A125-F129 WeakPolarHBondContact O-CD1 3.26Å; A125-F129 VanDerWaalsContact O-CD2 3.26Å; A125-F129 WeakPolarHBondContact O-CD2 3.45Å; A125-F129 WeakPolarHBondContact O-CG 3.41Å; A125-F129 PolarHBondContact O-N 2.04Å; F126-F129 AromaticContact CD1-CD2 3.69Å; F126-F129 HydrophobicContact CD1-CD2 3.69Å; F126-F129 HydrophobicContact CD1-CE2 4.36Å; F126-F129 AromaticContact CE1-CD2 3.96Å; F126-F129 HydrophobicContact CE1-CD2 3.96Å; F126-F129 HydrophobicContact CE1-CE2 4.33Å; F126-F129 HydrophobicContact CG-CD2 4.27Å; R127-F129 VanDerWaalsContact C-N 3.33Å; R127-F129 PolarHBondContact O-N 2.68Å; F129-F133 WeakPolarHBondContact O-CD2 3.44Å; F129-F133 WeakPolarHBondContact O-CG 3.27Å; F129-F133 PolarHBondContact O-N 2.88Å; F129-F133 VanDerWaalsContact O-N 3.13Å; F129-L187 HydrophobicContact CE2-CD2 4.11Å; F129-Y190 HydrophobicContact CD1-CD1 4.42Å; F129-Y190 HydrophobicContact CD1-CE1 4.38Å; F129-Y190 HydrophobicContact CD2-CD1 4.48Å; F129-Y190 HydrophobicContact CD2-CE1 4.35Å; F129-Y190 HydrophobicContact CE1-CD1 4.04Å; F129-Y190 HydrophobicContact CE1-CE1 4.45Å; F129-Y190 HydrophobicContact CE2-CD1 4.15Å; F129-Y190 HydrophobicContact CE2-CE1 4.46Å; F129-Y190 HydrophobicContact CG-CE1 4.33Å; F129-Y190 AromaticContact CZ-CD1 3.9Å; F129-Y190 HydrophobicContact CZ-CD1 3.9Å; F129-Y190 HydrophobicContact CZ-CE1 4.5Å; F129-F191 HydrophobicContact CE1-CB 4.01Å; F129-F191 HydrophobicContact CE1-CD2 4.05Å; F129-F191 HydrophobicContact CZ-CB 4.31Å; F129-I194 HydrophobicContact CD1-CD1 3.36Å; F129-I194 HydrophobicContact CE1-CD1 3.68Å; F129-I194 HydrophobicContact CG-CD1 4.43Å
130	R	95.6	Very high	95.3	Very high	12 Å²	12	32.7 Å²	32.7	5%	0.045	17%	0.171	C	C	.	.	H	α-helix	trans	-64.9	-45.2	174.8	-76	174.2	-69.3	156	3.3	111.3	F126 R127 M132 F133 G134 I135 Y206	F126-R130 WeakPolarHBondContact O-CG 3.35Å; F126-R130 PolarHBondContact O-N 3.4Å; F126-R130 PolarHBondContact O-NE 2.73Å; R127-R130 PolarHBondContact O-N 2.95Å; R127-R130 VanDerWaalsContact O-N 3.13Å; R130-M132 PolarHBondContact O-N 2.89Å; R130-F133 CarbonylContact O-C 3.58Å; R130-F133 PolarHBondContact O-N 2.92Å; R130-F133 VanDerWaalsContact O-N 3.08Å; R130-G134 PolarHBondContact O-N 3.11Å; R130-G134 VanDerWaalsContact O-N 3.11Å; R130-I135 HydrophobicContact CB-CB 4.12Å; R130-I135 HydrophobicContact CB-CG2 4.34Å; R130-I135 HydrophobicContact CG-CG2 4.43Å; R130-I135 PolarHBondContact O-N 2.95Å; R130-Y206 HydrophobicContact CG-CD1 4.01Å; R130-Y206 HydrophobicContact CG-CG 4.22Å; R130-Y206 PolarHBondContact NE-O 3.07Å
131	E	92.4	Very high	95.2	Very high	104 Å²	104	33.9 Å²	33.9	49%	0.486	18%	0.177	S	C	.	.	H	α-helix	trans	-55.4	-50.8	173.9	-171.7	-170.4	156.9	0	0	111.8	R127 Y128 F133 G134	R127-E131 IonicContact NH1-OE2 2.72Å; R127-E131 PolarHBondContact NH1-OE2 3.02Å; R127-E131 PolarHBondContact O-N 2.91Å; Y128-E131 PolarHBondContact O-N 2.88Å; E131-F133 PolarHBondContact O-N 3.45Å; E131-G134 PolarHBondContact O-N 3.13Å
132	M	90.6	Very high	95	Very high	63 Å²	63	38.9 Å²	38.9	31%	0.31	20%	0.196	S	C	.	.	H	α-helix	trans	-65	-16.1	177	-74.9	-66.7	-66.2	0	0	114.6	Y128 R130 I194 N195	Y128-M132 HydrophobicContact CD1-CG 4.06Å; Y128-M132 HydrophobicContact CD2-CG 4.28Å; Y128-M132 HydrophobicContact CE1-CG 3.61Å; Y128-M132 HydrophobicContact CE2-CG 3.87Å; Y128-M132 HydrophobicContact CE2-SD 4.22Å; Y128-M132 HydrophobicContact CG-CG 4.37Å; Y128-M132 VanDerWaalsContact O-CB 3.31Å; Y128-M132 WeakPolarHBondContact O-CB 3.33Å; Y128-M132 VanDerWaalsContact O-CG 3.26Å; Y128-M132 WeakPolarHBondContact O-CG 3.31Å; Y128-M132 PolarHBondContact O-N 2.95Å; R130-M132 PolarHBondContact O-N 2.89Å; M132-I194 HydrophobicContact CB-CD1 4.41Å; M132-N195 WeakPolarHBondContact CE-OD1 3.35Å
133	F	90.4	Very high	94.8	Very high	28 Å²	28	39.1 Å²	39.1	12%	0.123	20%	0.198	C	C	.	.	T	Hydrogen-bonded Turn	trans	-104.2	10.8	172.4	-66	-49.1	0	0	0	113.3	F129 R130 E131 I135 Y190 I194 K204 Y206	F129-F133 WeakPolarHBondContact O-CD2 3.44Å; F129-F133 WeakPolarHBondContact O-CG 3.27Å; F129-F133 PolarHBondContact O-N 2.88Å; F129-F133 VanDerWaalsContact O-N 3.13Å; R130-F133 CarbonylContact O-C 3.58Å; R130-F133 PolarHBondContact O-N 2.92Å; R130-F133 VanDerWaalsContact O-N 3.08Å; E131-F133 PolarHBondContact O-N 3.45Å; F133-I135 HydrophobicContact CB-CD1 4.47Å; F133-Y190 HydrophobicContact CE2-CE1 4.41Å; F133-Y190 WeakPolarHBondContact CE2-OH 3.28Å; F133-Y190 WeakPolarHBondContact CZ-OH 2.98Å; F133-I194 HydrophobicContact CE1-CG2 4.36Å; F133-I194 HydrophobicContact CZ-CG2 3.77Å; F133-K204 HydrophobicContact CD1-CD 4.15Å; F133-K204 HydrophobicContact CD1-CG 4.18Å; F133-K204 HydrophobicContact CD2-CB 3.9Å; F133-K204 HydrophobicContact CD2-CG 4.33Å; F133-K204 HydrophobicContact CE1-CB 4.49Å; F133-K204 HydrophobicContact CE1-CD 4.43Å; F133-K204 HydrophobicContact CE1-CG 3.99Å; F133-K204 HydrophobicContact CE2-CB 3.76Å; F133-K204 HydrophobicContact CE2-CG 4.16Å; F133-K204 HydrophobicContact CG-CB 4.33Å; F133-K204 HydrophobicContact CG-CD 4.28Å; F133-K204 HydrophobicContact CG-CG 4.35Å; F133-K204 HydrophobicContact CZ-CB 4.07Å; F133-K204 HydrophobicContact CZ-CG 3.97Å; F133-Y206 HydrophobicContact CB-CE1 3.98Å; F133-Y206 HydrophobicContact CD2-CD1 4.12Å; F133-Y206 AromaticContact CD2-CE1 3.61Å; F133-Y206 HydrophobicContact CD2-CE1 3.61Å; F133-Y206 HydrophobicContact CE2-CE1 4.45Å; F133-Y206 HydrophobicContact CG-CE1 4.11Å
134	G	90.8	Very high	94.7	Very high	60 Å²	60	39 Å²	39	62%	0.619	20%	0.197	S	C	*	.	T	Hydrogen-bonded Turn	trans	79.9	11.6	174	0	0	0	0	0	115.4	R130 E131	R130-G134 PolarHBondContact O-N 3.11Å; R130-G134 VanDerWaalsContact O-N 3.11Å; E131-G134 PolarHBondContact O-N 3.13Å
135	I	92.2	Very high	94.6	Very high	11 Å²	11	39 Å²	39	6%	0.056	20%	0.199	C	C	.	.			trans	-95.5	114.9	-173.1	-64.3	169	0	0	0	109.9	R130 F133 Y140 F170 Y206 L348	R130-I135 HydrophobicContact CB-CB 4.12Å; R130-I135 HydrophobicContact CB-CG2 4.34Å; R130-I135 HydrophobicContact CG-CG2 4.43Å; R130-I135 PolarHBondContact O-N 2.95Å; F133-I135 HydrophobicContact CB-CD1 4.47Å; I135-Y140 HydrophobicContact CG2-CD2 4.1Å; I135-Y140 HydrophobicContact CG2-CG 4.36Å; I135-F170 HydrophobicContact CD1-CE1 4.01Å; I135-F170 HydrophobicContact CD1-CZ 4.3Å; I135-F170 HydrophobicContact CG2-CZ 4.32Å; I135-Y206 HydrophobicContact CD1-CD1 3.81Å; I135-Y206 HydrophobicContact CD1-CD2 4.2Å; I135-Y206 HydrophobicContact CD1-CE1 3.3Å; I135-Y206 HydrophobicContact CD1-CE2 3.7Å; I135-Y206 HydrophobicContact CD1-CG 4.23Å; I135-Y206 WeakPolarHBondContact CD1-OH 3.35Å; I135-L348 HydrophobicContact CD1-CD1 4.06Å; I135-L348 HydrophobicContact CG1-CD1 3.81Å; I135-L348 HydrophobicContact CG1-CD2 4.31Å
136	R	93.8	Very high	94.3	Very high	113 Å²	113	44.3 Å²	44.3	43%	0.426	23%	0.227	S	C	.	.			trans	-74.3	151	175.8	-63.6	170	47.6	-115.9	-7.5	110.9	D138 D139 Y140	R136-D138 VanDerWaalsContact C-N 3.31Å; R136-D138 IonicContact CZ-OD2 2.77Å; R136-D138 IonicContact NH2-OD2 3.27Å; R136-D138 PolarHBondContact NH2-OD2 2.87Å; R136-D138 PolarHBondContact O-N 2.88Å; R136-D139 WeakPolarHBondContact CB-OD2 3.36Å; R136-D139 WeakPolarHBondContact CD-OD2 3.41Å; R136-D139 IonicContact CZ-OD1 2.73Å; R136-D139 IonicContact CZ-OD2 2.68Å; R136-D139 IonicContact NE-OD2 3.17Å; R136-D139 IonicContact NH1-OD1 3.81Å; R136-D139 PolarHBondContact NH1-OD1 3.25Å; R136-D139 IonicContact NH1-OD2 3.21Å; R136-D139 PolarHBondContact NH1-OD2 3.43Å; R136-D139 PolarHBondContact O-N 3.15Å; R136-Y140 PolarHBondContact O-N 3.08Å; R136-Y140 VanDerWaalsContact O-N 3.16Å
137	P	94.6	Very high	94	Very high	45 Å²	45	47.1 Å²	47.1	29%	0.292	24%	0.24	S	C	.	.	H	α-helix	trans	-59.5	-39.3	178.8	-24.8	34.9	0	0	0	113.5	V76 L141	V76-P137 HydrophobicContact CG1-CB 4.41Å; P137-L141 WeakPolarHBondContact O-CB 3.43Å; P137-L141 VanDerWaalsContact O-CG 3.27Å; P137-L141 WeakPolarHBondContact O-CG 3.35Å; P137-L141 PolarHBondContact O-N 3.42Å
138	D	94.8	Very high	93.8	Very high	92 Å²	92	50.1 Å²	50.1	49%	0.492	26%	0.263	S	S	.	.	H	α-helix	trans	-64.8	-43.7	-177.8	-46.8	-49.2	0	0	0	111.7	R136 L141 Y142	R136-D138 VanDerWaalsContact C-N 3.31Å; R136-D138 IonicContact CZ-OD2 2.77Å; R136-D138 IonicContact NH2-OD2 3.27Å; R136-D138 PolarHBondContact NH2-OD2 2.87Å; R136-D138 PolarHBondContact O-N 2.88Å; D138-L141 WeakPolarHBondContact O-CB 3.48Å; D138-L141 PolarHBondContact O-N 3.45Å; D138-Y142 PolarHBondContact O-N 2.83Å
139	D	93.8	Very high	93.7	Very high	46 Å²	46	48.7 Å²	48.7	25%	0.246	26%	0.258	C	S	.	.	H	α-helix	trans	-69.8	-46	-177.2	-52.2	-23.4	0	0	0	109.4	R136 L141 Y142 S143	R136-D139 WeakPolarHBondContact CB-OD2 3.36Å; R136-D139 WeakPolarHBondContact CD-OD2 3.41Å; R136-D139 IonicContact CZ-OD1 2.73Å; R136-D139 IonicContact CZ-OD2 2.68Å; R136-D139 IonicContact NE-OD2 3.17Å; R136-D139 IonicContact NH1-OD1 3.81Å; R136-D139 PolarHBondContact NH1-OD1 3.25Å; R136-D139 IonicContact NH1-OD2 3.21Å; R136-D139 PolarHBondContact NH1-OD2 3.43Å; R136-D139 PolarHBondContact O-N 3.15Å; D139-L141 VanDerWaalsContact C-N 3.26Å; D139-L141 PolarHBondContact O-N 3.03Å; D139-Y142 PolarHBondContact O-N 3.06Å; D139-Y142 VanDerWaalsContact O-N 3.13Å; D139-S143 PolarHBondContact O-N 3.16Å; D139-S143 PolarHBondContact O-OG 2.78Å; D139-S143 VanDerWaalsContact O-OG 3.07Å
140	Y	96.4	Very high	93.5	Very high	0 Å²	0	51.4 Å²	51.4	0%	0	27%	0.272	C	S	.	.	H	α-helix	trans	-57.3	-36.3	172.4	-174	-100	0	0	0	113.3	I72 V76 I135 R136 L144 F170 Y206 Y209 V222	I72-Y140 HydrophobicContact CG2-CD1 4.45Å; I72-Y140 HydrophobicContact CG2-CE1 3.89Å; V76-Y140 HydrophobicContact CG2-CD1 4.27Å; V76-Y140 HydrophobicContact CG2-CE1 4.04Å; I135-Y140 HydrophobicContact CG2-CD2 4.1Å; I135-Y140 HydrophobicContact CG2-CG 4.36Å; R136-Y140 PolarHBondContact O-N 3.08Å; R136-Y140 VanDerWaalsContact O-N 3.16Å; Y140-L144 HydrophobicContact CD1-CD1 4.02Å; Y140-L144 HydrophobicContact CD2-CD1 3.77Å; Y140-L144 HydrophobicContact CE1-CD1 3.68Å; Y140-L144 HydrophobicContact CE2-CD1 3.4Å; Y140-L144 VanDerWaalsContact CE2-CD1 3.4Å; Y140-L144 HydrophobicContact CG-CD1 4.08Å; Y140-L144 WeakPolarHBondContact O-CB 3.26Å; Y140-L144 WeakPolarHBondContact O-CD1 3.48Å; Y140-L144 WeakPolarHBondContact O-CG 3.44Å; Y140-L144 PolarHBondContact O-N 2.9Å; Y140-F170 HydrophobicContact CD2-CD1 4.37Å; Y140-F170 AromaticContact CD2-CE1 3.71Å; Y140-F170 HydrophobicContact CD2-CE1 3.71Å; Y140-F170 AromaticContact CD2-CZ 3.94Å; Y140-F170 HydrophobicContact CD2-CZ 3.94Å; Y140-F170 HydrophobicContact CE2-CD1 4.32Å; Y140-F170 HydrophobicContact CE2-CE1 4.02Å; Y140-Y206 HydrophobicContact CE2-CD2 4.49Å; Y140-Y206 HydrophobicContact CE2-CG 4.36Å; Y140-Y209 PolarHBondContact OH-OH 3.34Å; Y140-V222 HydrophobicContact CE2-CG1 3.99Å
141	L	96.6	Very high	93.2	Very high	33 Å²	33	52.7 Å²	52.7	17%	0.173	28%	0.278	C	S	.	.	H	α-helix	trans	-70.6	-45.1	174.8	-81.3	171.2	0	0	0	111.4	V76 P137 D138 D139 C145	V76-L141 HydrophobicContact CB-CD2 3.94Å; V76-L141 HydrophobicContact CB-CG 4.28Å; V76-L141 HydrophobicContact CG1-CD1 4.09Å; V76-L141 HydrophobicContact CG1-CD2 4.17Å; V76-L141 HydrophobicContact CG1-CG 3.94Å; P137-L141 WeakPolarHBondContact O-CB 3.43Å; P137-L141 VanDerWaalsContact O-CG 3.27Å; P137-L141 WeakPolarHBondContact O-CG 3.35Å; P137-L141 PolarHBondContact O-N 3.42Å; D138-L141 WeakPolarHBondContact O-CB 3.48Å; D138-L141 PolarHBondContact O-N 3.45Å; D139-L141 VanDerWaalsContact C-N 3.26Å; D139-L141 PolarHBondContact O-N 3.03Å; L141-C145 WeakPolarHBondContact O-CA 3.44Å; L141-C145 WeakPolarHBondContact O-CB 3.5Å; L141-C145 PolarHBondContact O-N 2.88Å
142	Y	94.8	Very high	92.7	Very high	122 Å²	122	48 Å²	48	48%	0.478	26%	0.256	S	S	.	.	I	π-helix	trans	-59	-57.3	179.1	-170.6	-79	0	0	0	111.3	D138 D139 L144 N146 E147	D138-Y142 PolarHBondContact O-N 2.83Å; D139-Y142 PolarHBondContact O-N 3.06Å; D139-Y142 VanDerWaalsContact O-N 3.13Å; Y142-L144 VanDerWaalsContact C-N 3.26Å; Y142-L144 PolarHBondContact O-N 2.7Å; Y142-N146 HydrophobicContact CD2-CB 4.32Å; Y142-N146 VanDerWaalsContact CD2-ND2 3.35Å; Y142-N146 WeakPolarHBondContact CD2-ND2 3.48Å; Y142-N146 HydrophobicContact CE2-CB 4.42Å; Y142-N146 HydrophobicContact CG-CB 4.48Å; Y142-N146 WeakPolarHBondContact O-CB 3.28Å; Y142-N146 PolarHBondContact O-N 3.38Å; Y142-N146 VanDerWaalsContact O-N 3.1Å; Y142-E147 HydrophobicContact CD1-CG 4.17Å; Y142-E147 HydrophobicContact CE1-CG 3.57Å; Y142-E147 WeakPolarHBondContact CE1-OE1 3.36Å; Y142-E147 PolarHBondContact OH-OE1 3.11Å
143	S	94.3	Very high	91.3	Very high	6 Å²	6	48.7 Å²	48.7	4%	0.042	27%	0.267	C	S	.	.	I	π-helix	trans	-59.9	-31	-175.1	-56.8	0	0	0	0	114.5	D139 S165 D167	D139-S143 PolarHBondContact O-N 3.16Å; D139-S143 PolarHBondContact O-OG 2.78Å; D139-S143 VanDerWaalsContact O-OG 3.07Å; S143-S165 WeakPolarHBondContact O-CB 3.47Å; S143-D167 WeakPolarHBondContact CB-OD2 3.36Å; S143-D167 PolarHBondContact OG-OD2 3.5Å
144	L	96	Very high	89.7	Confident	1 Å²	1	48.6 Å²	48.6	1%	0.005	27%	0.268	C	S	.	.	I	π-helix	trans	-100.8	-34.7	-176.2	-66	173.6	0	0	0	113.7	Q69 I72 Y140 Y142 L149 F170 I172 V222	Q69-L144 VanDerWaalsContact CG-O 3.31Å; Q69-L144 WeakPolarHBondContact CG-O 3.2Å; Q69-L144 PolarHBondContact NE2-O 2.88Å; I72-L144 HydrophobicContact CD1-CD1 4.42Å; Y140-L144 HydrophobicContact CD1-CD1 4.02Å; Y140-L144 HydrophobicContact CD2-CD1 3.77Å; Y140-L144 HydrophobicContact CE1-CD1 3.68Å; Y140-L144 HydrophobicContact CE2-CD1 3.4Å; Y140-L144 VanDerWaalsContact CE2-CD1 3.4Å; Y140-L144 HydrophobicContact CG-CD1 4.08Å; Y140-L144 WeakPolarHBondContact O-CB 3.26Å; Y140-L144 WeakPolarHBondContact O-CD1 3.48Å; Y140-L144 WeakPolarHBondContact O-CG 3.44Å; Y140-L144 PolarHBondContact O-N 2.9Å; Y142-L144 VanDerWaalsContact C-N 3.26Å; Y142-L144 PolarHBondContact O-N 2.7Å; L144-L149 HydrophobicContact CD2-CD2 4.44Å; L144-F170 HydrophobicContact CD2-CB 3.72Å; L144-F170 HydrophobicContact CD2-CD2 4.36Å; L144-F170 HydrophobicContact CD2-CG 4.06Å; L144-F170 HydrophobicContact CG-CD2 4.42Å; L144-F170 HydrophobicContact CG-CG 4.4Å; L144-I172 HydrophobicContact CD2-CD1 4.13Å; L144-I172 HydrophobicContact CD2-CG1 4.39Å; L144-V222 HydrophobicContact CD1-CG1 3.96Å; L144-V222 HydrophobicContact CD2-CG1 4.37Å
145	C	95.4	Very high	87.8	Confident	21 Å²	21	48.1 Å²	48.1	14%	0.142	25%	0.254	C	S	.	.	I	π-helix	trans	-110.1	-26.1	-168.1	-59.5	0	0	0	0	114.3	Q69 A73 L141	Q69-C145 PolarHBondContact O-SG 3.29Å; A73-C145 HydrophobicContact CB-CB 4.14Å; L141-C145 WeakPolarHBondContact O-CA 3.44Å; L141-C145 WeakPolarHBondContact O-CB 3.5Å; L141-C145 PolarHBondContact O-N 2.88Å
146	N	90.8	Very high	85.8	Confident	111 Å²	111	47.8 Å²	47.8	59%	0.594	25%	0.254	S	S	*	.	I	π-helix	trans	-93.7	-29.7	-178.9	-63.4	-5.3	0	0	0	112.4	Y142	Y142-N146 HydrophobicContact CD2-CB 4.32Å; Y142-N146 VanDerWaalsContact CD2-ND2 3.35Å; Y142-N146 WeakPolarHBondContact CD2-ND2 3.48Å; Y142-N146 HydrophobicContact CE2-CB 4.42Å; Y142-N146 HydrophobicContact CG-CB 4.48Å; Y142-N146 WeakPolarHBondContact O-CB 3.28Å; Y142-N146 PolarHBondContact O-N 3.38Å; Y142-N146 VanDerWaalsContact O-N 3.1Å
147	E	92.1	Very high	83.7	Confident	63 Å²	63	46.2 Å²	46.2	29%	0.294	26%	0.264	S	S	.	.	S	Bend	trans	-101.5	150.9	-177.1	-66.6	-64	166.5	0	0	112.3	Q69 Y142 L149	Q69-E147 PolarHBondContact NE2-O 3.06Å; Y142-E147 HydrophobicContact CD1-CG 4.17Å; Y142-E147 HydrophobicContact CE1-CG 3.57Å; Y142-E147 WeakPolarHBondContact CE1-OE1 3.36Å; Y142-E147 PolarHBondContact OH-OE1 3.11Å; E147-L149 PolarHBondContact O-N 2.96Å
148	P	92.6	Very high	81.8	Confident	86 Å²	86	46.1 Å²	46.1	56%	0.558	27%	0.265	S	S	*	.			trans	-76.1	115.5	-173.2	28.9	-34.6	0	0	0	113.7	I150 S166	P148-I150 PolarHBondContact O-N 3.17Å; P148-S166 WeakPolarHBondContact CD-OG 3.29Å; P148-S166 PolarHBondContact O-OG 3.46Å
149	L	93.9	Very high	80.6	Confident	6 Å²	6	41.8 Å²	41.8	3%	0.031	24%	0.242	C	C	.	.	P	Polyproline II helix	trans	-58.4	120.1	176.6	-66.4	176.2	0	0	0	112.6	K65 I68 Q69 L144 E147 I172	K65-L149 HydrophobicContact CB-CD1 4.31Å; K65-L149 HydrophobicContact CD-CB 4.16Å; K65-L149 WeakPolarHBondContact CD-O 3.34Å; K65-L149 WeakPolarHBondContact CE-O 3.46Å; K65-L149 HydrophobicContact CG-CB 4.07Å; K65-L149 HydrophobicContact CG-CD1 4.35Å; K65-L149 PolarHBondContact NZ-O 3.08Å; I68-L149 HydrophobicContact CG2-CD1 4.34Å; Q69-L149 HydrophobicContact CG-CD1 3.78Å; Q69-L149 HydrophobicContact CG-CG 4.26Å; L144-L149 HydrophobicContact CD2-CD2 4.44Å; E147-L149 PolarHBondContact O-N 2.96Å; L149-I172 HydrophobicContact CD1-CD1 3.85Å; L149-I172 HydrophobicContact CD2-CD1 3.82Å
150	I	91.3	Very high	79.9	Confident	57 Å²	57	39.9 Å²	39.9	29%	0.292	23%	0.232	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.6	128.9	-179.7	-54.9	175.8	0	0	0	108.8	P148 Y163 V164	P148-I150 PolarHBondContact O-N 3.17Å; I150-Y163 CarbonylContact O-C 3.53Å; I150-Y163 WeakPolarHBondContact O-CA 3.17Å; I150-V164 PolarHBondContact N-O 2.99Å; I150-V164 PolarHBondContact O-N 2.84Å
151	E	89.3	Confident	79.3	Confident	39 Å²	39	40 Å²	40	18%	0.182	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89	133.1	174.5	-175.3	175.6	161.8	0	0	110.8	R45 T54 S61 I161 Y163	R45-E151 IonicContact CZ-OE1 2.7Å; R45-E151 IonicContact NE-OE1 3.23Å; R45-E151 IonicContact NH2-OE1 3.04Å; R45-E151 PolarHBondContact NH2-OE1 3.13Å; T54-E151 WeakPolarHBondContact CB-OE1 3.32Å; T54-E151 PolarHBondContact OG1-OE1 3.44Å; T54-E151 PolarHBondContact OG1-OE2 3.49Å; S61-E151 WeakPolarHBondContact CB-OE2 3.35Å; S61-E151 PolarHBondContact OG-OE2 2.9Å; E151-I161 HydrophobicContact CG-CG2 4.16Å; E151-Y163 HydrophobicContact CB-CD1 3.88Å; E151-Y163 HydrophobicContact CB-CE1 3.82Å; E151-Y163 HydrophobicContact CG-CD1 4.18Å; E151-Y163 HydrophobicContact CG-CE1 3.86Å
152	L	81.9	Confident	79	Confident	5 Å²	5	38.6 Å²	38.6	3%	0.026	23%	0.225	C	C	.	.	P	Polyproline II helix	trans	-86.4	125.2	174.5	-55.8	-175.2	0	0	0	110.7	N154 F162 V164 I591 P593	L152-N154 PolarHBondContact O-N 2.8Å; L152-F162 HydrophobicContact CB-CB 4.14Å; L152-F162 HydrophobicContact CD1-CB 3.96Å; L152-F162 HydrophobicContact CG-CB 4.24Å; L152-F162 PolarHBondContact N-O 3.16Å; L152-V164 HydrophobicContact CD1-CG2 3.63Å; L152-V164 HydrophobicContact CD2-CG2 3.91Å; L152-V164 HydrophobicContact CG-CG2 3.85Å; L152-I591 HydrophobicContact CD1-CG2 3.38Å; L152-P593 HydrophobicContact CD2-CB 3.55Å; L152-P593 HydrophobicContact CD2-CG 3.73Å
153	S	60.9	Low	78.9	Confident	77 Å²	77	32.8 Å²	32.8	54%	0.538	20%	0.203	S	C	.	.			trans	-73.9	0.8	-174.3	36.8	0	0	0	0	114.7	P155	S153-P155 WeakPolarHBondContact O-CD 3.05Å
154	N	58.1	Low	78.8	Confident	27 Å²	27	32.7 Å²	32.7	14%	0.144	20%	0.201	C	C	.	.			trans	-94.4	102.2	-179.8	-71.6	-27.5	0	0	0	112.7	L152 G156 D590	L152-N154 PolarHBondContact O-N 2.8Å; N154-G156 PolarHBondContact O-N 3.3Å; N154-D590 WeakPolarHBondContact CB-O 3.28Å; N154-D590 PolarHBondContact ND2-O 3.25Å
155	P	49.8	Very low	78.7	Confident	50 Å²	50	32.6 Å²	32.6	33%	0.325	20%	0.201	S	C	.	.			trans	-75.6	89	166.6	32.8	-33.2	0	0	0	109.6	I42 S153	I42-P155 HydrophobicContact CD1-CG 4.24Å; I42-P155 HydrophobicContact CG2-CB 4.47Å; S153-P155 WeakPolarHBondContact O-CD 3.05Å
156	G	51.4	Low	78.5	Confident	4 Å²	4	33.9 Å²	33.9	4%	0.041	21%	0.21	C	C	.	.			trans	-56.7	153.6	163.2	0	0	0	0	0	110.5	N154 S158 G159 D590	N154-G156 PolarHBondContact O-N 3.3Å; G156-S158 PolarHBondContact O-N 3.32Å; G156-G159 PolarHBondContact O-N 2.99Å; G156-D590 WeakPolarHBondContact CA-OD2 3.45Å
157	A	49.5	Very low	78.4	Confident	79 Å²	79	31.4 Å²	31.4	65%	0.653	20%	0.197	S	C	*	.	T	Hydrogen-bonded Turn	trans	-57.4	-15.7	-158	0	0	0	0	0	117.3	G159 V586	A157-G159 PolarHBondContact O-N 2.98Å; A157-V586 HydrophobicContact CB-CG1 4.49Å; A157-V586 HydrophobicContact CB-CG2 4.11Å
158	S	54.8	Low	78.2	Confident	43 Å²	43	28.9 Å²	28.9	30%	0.301	19%	0.185	S	C	.	.	T	Hydrogen-bonded Turn	trans	-71.4	-8.4	169.1	-173.6	0	0	0	0	114.1	G156 S160 Q176	G156-S158 PolarHBondContact O-N 3.32Å; S158-S160 PolarHBondContact O-N 3.45Å; S158-Q176 PolarHBondContact OG-NE2 3.42Å
159	G	69.3	Low	77.9	Confident	1 Å²	1	25.4 Å²	25.4	1%	0.01	16%	0.162	C	C	.	.	T	Hydrogen-bonded Turn	trans	63.9	22.5	-171	0	0	0	0	0	113.3	Y56 G156 A157	Y56-G159 WeakPolarHBondContact CE2-O 3.34Å; G156-G159 PolarHBondContact O-N 2.99Å; A157-G159 PolarHBondContact O-N 2.98Å
160	S	78.9	Confident	77.9	Confident	6 Å²	6	25.2 Å²	25.2	4%	0.042	16%	0.161	C	C	.	.			trans	-71.7	141.4	175.3	49.5	0	0	0	0	111.1	S158 F162 T174	S158-S160 PolarHBondContact O-N 3.45Å; S160-F162 VanDerWaalsContact OG-CE2 3.3Å; S160-F162 WeakPolarHBondContact OG-CE2 3.11Å; S160-F162 WeakPolarHBondContact OG-CZ 3.32Å; S160-T174 WeakPolarHBondContact CA-OG1 3.48Å
161	I	84.3	Confident	78	Confident	2 Å²	2	23 Å²	23	1%	0.01	15%	0.15	C	C	.	.			trans	-90.2	144.5	169.8	-64.7	-175.1	0	0	0	109.3	R45 Y56 E151 Y163 T174	R45-I161 HydrophobicContact CG-CD1 4.3Å; Y56-I161 HydrophobicContact CD2-CD1 3.85Å; Y56-I161 HydrophobicContact CD2-CG1 3.98Å; Y56-I161 HydrophobicContact CG-CD1 4Å; E151-I161 HydrophobicContact CG-CG2 4.16Å; I161-Y163 HydrophobicContact CG2-CD1 4.33Å; I161-Y163 HydrophobicContact CG2-CD2 4.49Å; I161-Y163 HydrophobicContact CG2-CE1 3.78Å; I161-Y163 HydrophobicContact CG2-CE2 3.98Å; I161-T174 HydrophobicContact CB-CG2 3.93Å; I161-T174 PolarHBondContact N-OG1 3.39Å; I161-T174 PolarHBondContact O-N 3.15Å; I161-T174 PolarHBondContact O-OG1 3.37Å
162	F	89.1	Confident	78.3	Confident	5 Å²	5	21.2 Å²	21.2	2%	0.022	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.3	133.5	172.2	-61.7	-81.4	0	0	0	109.8	L152 S160 I171 I172 K173 L588 I591	L152-F162 HydrophobicContact CB-CB 4.14Å; L152-F162 HydrophobicContact CD1-CB 3.96Å; L152-F162 HydrophobicContact CG-CB 4.24Å; L152-F162 PolarHBondContact N-O 3.16Å; S160-F162 VanDerWaalsContact OG-CE2 3.3Å; S160-F162 WeakPolarHBondContact OG-CE2 3.11Å; S160-F162 WeakPolarHBondContact OG-CZ 3.32Å; F162-I171 HydrophobicContact CD1-CG2 4.18Å; F162-I172 WeakPolarHBondContact CA-O 3.46Å; F162-K173 HydrophobicContact CD1-CB 3.94Å; F162-K173 HydrophobicContact CD1-CG 4.1Å; F162-K173 HydrophobicContact CE1-CB 3.67Å; F162-K173 HydrophobicContact CE1-CD 3.61Å; F162-K173 HydrophobicContact CE1-CG 3.37Å; F162-K173 HydrophobicContact CZ-CD 4.15Å; F162-K173 HydrophobicContact CZ-CG 4.06Å; F162-L588 HydrophobicContact CE1-CD2 3.71Å; F162-L588 HydrophobicContact CZ-CD2 4.13Å; F162-I591 HydrophobicContact CB-CG2 4.27Å; F162-I591 HydrophobicContact CD1-CD1 3.79Å; F162-I591 HydrophobicContact CD1-CG2 4.23Å; F162-I591 HydrophobicContact CD2-CD1 3.91Å; F162-I591 HydrophobicContact CD2-CG1 4Å; F162-I591 HydrophobicContact CD2-CG2 4.46Å; F162-I591 HydrophobicContact CE1-CD1 3.35Å; F162-I591 HydrophobicContact CE1-CG1 4.41Å; F162-I591 HydrophobicContact CE2-CD1 3.49Å; F162-I591 VanDerWaalsContact CE2-CD1 3.49Å; F162-I591 HydrophobicContact CE2-CG1 3.88Å; F162-I591 HydrophobicContact CG-CD1 4.05Å; F162-I591 HydrophobicContact CG-CG1 4.34Å; F162-I591 HydrophobicContact CG-CG2 4.06Å; F162-I591 HydrophobicContact CZ-CD1 3.21Å; F162-I591 HydrophobicContact CZ-CG1 4.12Å
163	Y	92.4	Very high	78.9	Confident	0 Å²	0	21.9 Å²	21.9	0%	0	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113	154.2	164.4	-53.1	-66.7	0	0	0	110.3	S61 L64 K65 I68 I150 E151 I161 I171 I172	S61-Y163 WeakPolarHBondContact OG-CE1 3.33Å; S61-Y163 PolarHBondContact OG-OH 3.42Å; L64-Y163 HydrophobicContact CD2-CE2 4.18Å; L64-Y163 HydrophobicContact CG-CE2 4.31Å; K65-Y163 HydrophobicContact CD-CD1 4.44Å; K65-Y163 HydrophobicContact CD-CE1 4.15Å; K65-Y163 HydrophobicContact CG-CD1 4.14Å; K65-Y163 HydrophobicContact CG-CE1 3.78Å; K65-Y163 HydrophobicContact CG-CE2 4.41Å; I68-Y163 HydrophobicContact CD1-CD2 4.3Å; I68-Y163 HydrophobicContact CD1-CE2 4.07Å; I150-Y163 CarbonylContact O-C 3.53Å; I150-Y163 WeakPolarHBondContact O-CA 3.17Å; E151-Y163 HydrophobicContact CB-CD1 3.88Å; E151-Y163 HydrophobicContact CB-CE1 3.82Å; E151-Y163 HydrophobicContact CG-CD1 4.18Å; E151-Y163 HydrophobicContact CG-CE1 3.86Å; I161-Y163 HydrophobicContact CG2-CD1 4.33Å; I161-Y163 HydrophobicContact CG2-CD2 4.49Å; I161-Y163 HydrophobicContact CG2-CE1 3.78Å; I161-Y163 HydrophobicContact CG2-CE2 3.98Å; Y163-I171 WeakPolarHBondContact O-CA 3.34Å; Y163-I172 HydrophobicContact CD2-CB 4.38Å; Y163-I172 PolarHBondContact N-O 2.98Å; Y163-I172 PolarHBondContact O-N 3.27Å
164	V	92.4	Very high	80.4	Confident	3 Å²	3	18.3 Å²	18.3	2%	0.018	12%	0.119	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.6	144	170.7	-166.7	0	0	0	0	108.9	I150 L152 D168 F170 I171	I150-V164 PolarHBondContact N-O 2.99Å; I150-V164 PolarHBondContact O-N 2.84Å; L152-V164 HydrophobicContact CD1-CG2 3.63Å; L152-V164 HydrophobicContact CD2-CG2 3.91Å; L152-V164 HydrophobicContact CG-CG2 3.85Å; V164-D168 WeakPolarHBondContact CG1-OD1 3.34Å; V164-F170 VanDerWaalsContact CA-O 3.28Å; V164-F170 WeakPolarHBondContact CA-O 3.2Å; V164-F170 WeakPolarHBondContact CG1-O 3.13Å; V164-I171 HydrophobicContact CG2-CG1 4.48Å
165	S	94.3	Very high	82	Confident	0 Å²	0	17.1 Å²	17.1	0%	0	11%	0.113	C	C	.	.			trans	-64.9	158.8	169.3	52.3	0	0	0	0	111.6	S143 D167 D168 E169 F170	S143-S165 WeakPolarHBondContact O-CB 3.47Å; S165-D167 VanDerWaalsContact C-N 3.27Å; S165-D167 WeakPolarHBondContact CB-OD1 3.24Å; S165-D167 PolarHBondContact O-N 3.41Å; S165-D167 PolarHBondContact OG-OD1 3.04Å; S165-D168 PolarHBondContact O-N 3.05Å; S165-E169 PolarHBondContact OG-N 3.43Å; S165-F170 PolarHBondContact N-O 3.13Å; S165-F170 VanDerWaalsContact N-O 3.09Å; S165-F170 PolarHBondContact OG-N 3.07Å
166	S	91.4	Very high	84	Confident	48 Å²	48	19.2 Å²	19.2	34%	0.336	12%	0.118	S	C	.	.	T	Hydrogen-bonded Turn	trans	-72.4	-21.3	-176.2	-47.2	0	0	0	0	113.6	P148 D168	P148-S166 WeakPolarHBondContact CD-OG 3.29Å; P148-S166 PolarHBondContact O-OG 3.46Å; S166-D168 VanDerWaalsContact C-N 3.29Å
167	D	88.1	Confident	85.9	Confident	58 Å²	58	23.6 Å²	23.6	31%	0.31	14%	0.137	S	C	.	.	T	Hydrogen-bonded Turn	trans	-82.5	-3	169.6	61.9	5.1	0	0	0	113.9	S143 S165 E169	S143-D167 WeakPolarHBondContact CB-OD2 3.36Å; S143-D167 PolarHBondContact OG-OD2 3.5Å; S165-D167 VanDerWaalsContact C-N 3.27Å; S165-D167 WeakPolarHBondContact CB-OD1 3.24Å; S165-D167 PolarHBondContact O-N 3.41Å; S165-D167 PolarHBondContact OG-OD1 3.04Å; D167-E169 PolarHBondContact O-N 3.42Å; D167-E169 PolarHBondContact OD1-N 2.87Å
168	D	87.7	Confident	87.8	Confident	10 Å²	10	26.1 Å²	26.1	5%	0.053	13%	0.133	C	C	.	.	S	Bend	trans	65	10.3	179.3	-143.1	71.8	0	0	0	115.5	V164 S165 S166 N225 P228 R229	V164-D168 WeakPolarHBondContact CG1-OD1 3.34Å; S165-D168 PolarHBondContact O-N 3.05Å; S166-D168 VanDerWaalsContact C-N 3.29Å; D168-N225 WeakPolarHBondContact O-CB 3.48Å; D168-N225 PolarHBondContact O-ND2 2.86Å; D168-N225 PolarHBondContact OD2-ND2 2.84Å; D168-P228 VanDerWaalsContact OD2-CA 3.32Å; D168-P228 WeakPolarHBondContact OD2-CA 3.38Å; D168-R229 WeakPolarHBondContact OD1-CD 3.35Å; D168-R229 WeakPolarHBondContact OD1-CG 3.27Å; D168-R229 IonicContact OD1-CZ 2.73Å; D168-R229 IonicContact OD1-NE 2.74Å; D168-R229 PolarHBondContact OD1-NE 3.28Å; D168-R229 WeakPolarHBondContact OD2-CG 3.37Å; D168-R229 PolarHBondContact OD2-N 2.74Å
169	E	88.2	Confident	89.6	Confident	14 Å²	14	24.8 Å²	24.8	7%	0.065	12%	0.123	C	C	.	.			trans	-75.3	-32.9	178.8	-65.4	-156.2	141	0	0	114.1	S165 D167 N225 Q345 L348 Y349	S165-E169 PolarHBondContact OG-N 3.43Å; D167-E169 PolarHBondContact O-N 3.42Å; D167-E169 PolarHBondContact OD1-N 2.87Å; E169-N225 PolarHBondContact O-N 3.29Å; E169-Q345 VanDerWaalsContact CD-NE2 3.26Å; E169-Q345 PolarHBondContact OE1-NE2 3.1Å; E169-Q345 PolarHBondContact OE2-NE2 3.42Å; E169-Q345 VanDerWaalsContact OE2-NE2 3.09Å; E169-L348 WeakPolarHBondContact OE2-CD1 3.28Å; E169-Y349 HydrophobicContact CB-CE1 4.46Å; E169-Y349 HydrophobicContact CG-CE1 3.94Å
170	F	93.6	Very high	90.8	Very high	1 Å²	1	24.8 Å²	24.8	0%	0.004	12%	0.123	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119	131.4	-168.1	-61.6	-78.9	0	0	0	113.3	I135 Y140 L144 V164 S165 Y206 V222	I135-F170 HydrophobicContact CD1-CE1 4.01Å; I135-F170 HydrophobicContact CD1-CZ 4.3Å; I135-F170 HydrophobicContact CG2-CZ 4.32Å; Y140-F170 HydrophobicContact CD2-CD1 4.37Å; Y140-F170 AromaticContact CD2-CE1 3.71Å; Y140-F170 HydrophobicContact CD2-CE1 3.71Å; Y140-F170 AromaticContact CD2-CZ 3.94Å; Y140-F170 HydrophobicContact CD2-CZ 3.94Å; Y140-F170 HydrophobicContact CE2-CD1 4.32Å; Y140-F170 HydrophobicContact CE2-CE1 4.02Å; L144-F170 HydrophobicContact CD2-CB 3.72Å; L144-F170 HydrophobicContact CD2-CD2 4.36Å; L144-F170 HydrophobicContact CD2-CG 4.06Å; L144-F170 HydrophobicContact CG-CD2 4.42Å; L144-F170 HydrophobicContact CG-CG 4.4Å; V164-F170 VanDerWaalsContact CA-O 3.28Å; V164-F170 WeakPolarHBondContact CA-O 3.2Å; V164-F170 WeakPolarHBondContact CG1-O 3.13Å; S165-F170 PolarHBondContact N-O 3.13Å; S165-F170 VanDerWaalsContact N-O 3.09Å; S165-F170 PolarHBondContact OG-N 3.07Å; F170-Y206 AromaticContact CD1-CD2 3.59Å; F170-Y206 HydrophobicContact CD1-CD2 3.59Å; F170-Y206 AromaticContact CD1-CE2 3.72Å; F170-Y206 HydrophobicContact CD1-CE2 3.72Å; F170-Y206 AromaticContact CE1-CD2 3.55Å; F170-Y206 HydrophobicContact CE1-CD2 3.55Å; F170-Y206 AromaticContact CE1-CE2 3.56Å; F170-Y206 HydrophobicContact CE1-CE2 3.56Å; F170-Y206 HydrophobicContact CE1-CG 4.45Å; F170-V222 HydrophobicContact CB-CG1 4.48Å; F170-V222 HydrophobicContact CD1-CG1 4.23Å
171	I	93.1	Very high	91.6	Very high	12 Å²	12	27.8 Å²	27.8	6%	0.062	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.7	130.6	168.5	-63.2	178.5	0	0	0	109.5	F162 Y163 V164 M223 N225	F162-I171 HydrophobicContact CD1-CG2 4.18Å; Y163-I171 WeakPolarHBondContact O-CA 3.34Å; V164-I171 HydrophobicContact CG2-CG1 4.48Å; I171-M223 HydrophobicContact CB-CG 4.31Å; I171-M223 PolarHBondContact N-O 2.85Å; I171-M223 PolarHBondContact O-N 3.49Å; I171-N225 HydrophobicContact CD1-CB 4.18Å; I171-N225 HydrophobicContact CG1-CB 4.03Å
172	I	95.9	Very high	92	Very high	1 Å²	1	28.2 Å²	28.2	1%	0.005	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.2	113	169.1	-42.7	-174.1	0	0	0	108.9	I68 L144 L149 F162 Y163 I220 V221 V222	I68-I172 HydrophobicContact CG2-CD1 4.06Å; L144-I172 HydrophobicContact CD2-CD1 4.13Å; L144-I172 HydrophobicContact CD2-CG1 4.39Å; L149-I172 HydrophobicContact CD1-CD1 3.85Å; L149-I172 HydrophobicContact CD2-CD1 3.82Å; F162-I172 WeakPolarHBondContact CA-O 3.46Å; Y163-I172 HydrophobicContact CD2-CB 4.38Å; Y163-I172 PolarHBondContact N-O 2.98Å; Y163-I172 PolarHBondContact O-N 3.27Å; I172-I220 HydrophobicContact CG2-CB 3.78Å; I172-I220 HydrophobicContact CG2-CD1 3.71Å; I172-I220 HydrophobicContact CG2-CG1 4.36Å; I172-I220 HydrophobicContact CG2-CG2 3.99Å; I172-V221 WeakPolarHBondContact CA-O 3.28Å; I172-V222 HydrophobicContact CD1-CG2 4.5Å; I172-V222 HydrophobicContact CG1-CG2 4.19Å; I172-V222 HydrophobicContact CG2-CG2 4.23Å
173	K	92.9	Very high	92.4	Very high	18 Å²	18	28 Å²	28	8%	0.078	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.2	127.3	177.1	176	171.5	-162.4	164.5	0	110.7	F162 V175 I220 V221 D393 L588	F162-K173 HydrophobicContact CD1-CB 3.94Å; F162-K173 HydrophobicContact CD1-CG 4.1Å; F162-K173 HydrophobicContact CE1-CB 3.67Å; F162-K173 HydrophobicContact CE1-CD 3.61Å; F162-K173 HydrophobicContact CE1-CG 3.37Å; F162-K173 HydrophobicContact CZ-CD 4.15Å; F162-K173 HydrophobicContact CZ-CG 4.06Å; K173-V175 HydrophobicContact CD-CG1 4.29Å; K173-V175 HydrophobicContact CG-CG1 4.03Å; K173-V175 PolarHBondContact O-N 2.9Å; K173-I220 CarbonylContact O-C 3.52Å; K173-I220 VanDerWaalsContact O-CA 3.28Å; K173-I220 WeakPolarHBondContact O-CA 3.4Å; K173-V221 PolarHBondContact N-O 2.87Å; K173-V221 PolarHBondContact O-N 3.47Å; K173-D393 IonicContact NZ-OD1 2.66Å; K173-D393 PolarHBondContact NZ-OD1 2.94Å; K173-L588 HydrophobicContact CD-CD2 4.06Å
174	T	92.8	Very high	92.5	Very high	3 Å²	3	29.9 Å²	29.9	2%	0.018	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.7	128.3	164	65.5	0	0	0	0	110.1	Y56 S160 I161 I218 R219 I220	Y56-T174 HydrophobicContact CE1-CG2 4.5Å; S160-T174 WeakPolarHBondContact CA-OG1 3.48Å; I161-T174 HydrophobicContact CB-CG2 3.93Å; I161-T174 PolarHBondContact N-OG1 3.39Å; I161-T174 PolarHBondContact O-N 3.15Å; I161-T174 PolarHBondContact O-OG1 3.37Å; T174-I218 HydrophobicContact CG2-CG2 4.31Å; T174-R219 CarbonylContact C-O 3.55Å; T174-R219 WeakPolarHBondContact CA-O 3.16Å; T174-I220 HydrophobicContact CG2-CG2 4.13Å
175	V	92.6	Very high	92.6	Very high	2 Å²	2	35.1 Å²	35.1	1%	0.012	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.4	155.2	-179.3	-64.4	0	0	0	0	112.2	K173 E179 A180 R219 V221 L395	K173-V175 HydrophobicContact CD-CG1 4.29Å; K173-V175 HydrophobicContact CG-CG1 4.03Å; K173-V175 PolarHBondContact O-N 2.9Å; V175-E179 HydrophobicContact CB-CB 4.13Å; V175-A180 HydrophobicContact CG2-CB 4.04Å; V175-R219 HydrophobicContact CG2-CB 3.82Å; V175-R219 PolarHBondContact N-O 3.24Å; V175-V221 HydrophobicContact CG1-CB 4.33Å; V175-V221 HydrophobicContact CG1-CG2 3.84Å; V175-V221 HydrophobicContact CG2-CG2 3.97Å; V175-L395 HydrophobicContact CG1-CD1 4.08Å
176	Q	91.3	Very high	92.6	Very high	94 Å²	94	35.3 Å²	35.3	44%	0.439	17%	0.169	S	C	.	.			trans	-72.4	166	174.2	-56.9	-170	24.4	0	0	111.8	S158 K178 E179 A180	S158-Q176 PolarHBondContact OG-NE2 3.42Å; Q176-K178 VanDerWaalsContact C-N 3.34Å; Q176-K178 PolarHBondContact O-N 3.17Å; Q176-E179 HydrophobicContact CB-CG 4.2Å; Q176-E179 WeakPolarHBondContact CB-OE2 3.29Å; Q176-E179 WeakPolarHBondContact CG-OE2 2.99Å; Q176-E179 PolarHBondContact N-OE2 3.39Å; Q176-E179 PolarHBondContact O-N 3.23Å; Q176-A180 PolarHBondContact O-N 2.53Å; Q176-A180 VanDerWaalsContact O-N 3.11Å
177	H	91.6	Very high	92.9	Very high	95 Å²	95	33 Å²	33	44%	0.44	15%	0.153	S	C	.	.	H	α-helix	trans	-60.3	-43	178.1	-165.6	-30.4	0	0	0	112.4	A180 E181 R219	H177-A180 PolarHBondContact O-N 3.47Å; H177-E181 IonicContact CE1-OE1 3.88Å; H177-E181 PolarHBondContact CE1-OE1 2.86Å; H177-E181 IonicContact ND1-OE1 2.72Å; H177-E181 PolarHBondContact ND1-OE1 2.91Å; H177-E181 PolarHBondContact O-N 2.96Å; H177-E181 VanDerWaalsContact O-N 3.1Å; H177-R219 PolarHBondContact CD2-NH1 2.54Å; H177-R219 VanDerWaalsContact CD2-NH1 3.31Å; H177-R219 PolarHBondContact CD2-NH2 3.41Å; H177-R219 PolarHBondContact CE1-NH2 2.93Å; H177-R219 PolarHBondContact NE2-NH2 2.77Å
178	K	89.9	Confident	93.3	Very high	132 Å²	132	32 Å²	32	57%	0.574	15%	0.149	S	C	*	.	H	α-helix	trans	-66.2	-40.6	-178.9	-61.6	178.5	-177.9	174.7	0	111.6	Q176 E181 F182	Q176-K178 VanDerWaalsContact C-N 3.34Å; Q176-K178 PolarHBondContact O-N 3.17Å; K178-E181 PolarHBondContact O-N 2.85Å; K178-F182 VanDerWaalsContact O-CB 3.28Å; K178-F182 WeakPolarHBondContact O-CB 3.15Å; K178-F182 PolarHBondContact O-N 2.83Å
179	E	92.7	Very high	93.7	Very high	16 Å²	16	31.9 Å²	31.9	8%	0.075	15%	0.151	C	C	.	.	H	α-helix	trans	-64.9	-44	177.5	-65.5	176.1	133.8	0	0	111.8	V175 Q176 F182 L183 L395	V175-E179 HydrophobicContact CB-CB 4.13Å; Q176-E179 HydrophobicContact CB-CG 4.2Å; Q176-E179 WeakPolarHBondContact CB-OE2 3.29Å; Q176-E179 WeakPolarHBondContact CG-OE2 2.99Å; Q176-E179 PolarHBondContact N-OE2 3.39Å; Q176-E179 PolarHBondContact O-N 3.23Å; E179-F182 PolarHBondContact O-N 2.84Å; E179-L183 PolarHBondContact O-N 2.97Å; E179-L395 HydrophobicContact CB-CB 4.03Å; E179-L395 HydrophobicContact CB-CD1 4.29Å; E179-L395 HydrophobicContact CG-CB 4.15Å
180	A	94.9	Very high	94	Very high	1 Å²	1	31.3 Å²	31.3	1%	0.008	15%	0.148	C	C	.	.	H	α-helix	trans	-67.4	-35.4	177.2	0	0	0	0	0	113.5	V175 Q176 H177 Q184 L208 R219	V175-A180 HydrophobicContact CG2-CB 4.04Å; Q176-A180 PolarHBondContact O-N 2.53Å; Q176-A180 VanDerWaalsContact O-N 3.11Å; H177-A180 PolarHBondContact O-N 3.47Å; A180-Q184 PolarHBondContact O-N 3.46Å; A180-Q184 PolarHBondContact O-NE2 2.8Å; A180-L208 HydrophobicContact CB-CD1 3.98Å; A180-R219 HydrophobicContact CB-CB 4.29Å; A180-R219 HydrophobicContact CB-CG 4.44Å
181	E	93.9	Very high	94.2	Very high	68 Å²	68	33.9 Å²	33.9	32%	0.318	16%	0.159	S	C	.	.	H	α-helix	trans	-67.6	-38.6	169.6	-84.2	-171.8	-143.7	0	0	112.6	H177 K178 Q184 K185	H177-E181 IonicContact CE1-OE1 3.88Å; H177-E181 PolarHBondContact CE1-OE1 2.86Å; H177-E181 IonicContact ND1-OE1 2.72Å; H177-E181 PolarHBondContact ND1-OE1 2.91Å; H177-E181 PolarHBondContact O-N 2.96Å; H177-E181 VanDerWaalsContact O-N 3.1Å; K178-E181 PolarHBondContact O-N 2.85Å; E181-Q184 PolarHBondContact O-N 3.37Å; E181-K185 WeakPolarHBondContact O-CD 3.48Å; E181-K185 WeakPolarHBondContact O-CG 3.48Å; E181-K185 PolarHBondContact O-N 2.81Å; E181-K185 IonicContact OE2-NZ 3.87Å; E181-K185 PolarHBondContact OE2-NZ 3.26Å
182	F	94.3	Very high	94.3	Very high	11 Å²	11	38.5 Å²	38.5	5%	0.048	18%	0.182	C	C	.	.	H	α-helix	trans	-68.7	-39.6	179.3	178.9	-106.5	0	0	0	111.3	K178 E179 Q184 K185 L186 F297 I299 L395 F400	K178-F182 VanDerWaalsContact O-CB 3.28Å; K178-F182 WeakPolarHBondContact O-CB 3.15Å; K178-F182 PolarHBondContact O-N 2.83Å; E179-F182 PolarHBondContact O-N 2.84Å; F182-Q184 PolarHBondContact O-N 2.67Å; F182-K185 CarbonylContact O-C 3.51Å; F182-K185 WeakPolarHBondContact O-CA 3.45Å; F182-K185 PolarHBondContact O-N 2.91Å; F182-K185 VanDerWaalsContact O-N 3.1Å; F182-L186 HydrophobicContact CE1-CD2 4.42Å; F182-L186 WeakPolarHBondContact O-CB 3.32Å; F182-L186 PolarHBondContact O-N 3.08Å; F182-F297 HydrophobicContact CZ-CB 4.17Å; F182-F297 HydrophobicContact CZ-CD1 4.49Å; F182-I299 HydrophobicContact CE1-CD1 3.79Å; F182-I299 HydrophobicContact CE1-CG1 3.71Å; F182-I299 HydrophobicContact CZ-CD1 3.72Å; F182-I299 HydrophobicContact CZ-CG1 3.5Å; F182-L395 VanDerWaalsContact CD1-O 3.29Å; F182-L395 WeakPolarHBondContact CD1-O 3.37Å; F182-F400 HydrophobicContact CB-CE2 4.43Å
183	L	96.3	Very high	94.1	Very high	0 Å²	0	39 Å²	39	0%	0	19%	0.185	C	C	.	.	H	α-helix	trans	-58	-45.4	173.6	-179.3	52.6	0	0	0	111.7	E179 K185 L186 L187 F205 L208 V221 L395	E179-L183 PolarHBondContact O-N 2.97Å; L183-K185 VanDerWaalsContact C-N 3.31Å; L183-K185 PolarHBondContact O-N 3.38Å; L183-L186 HydrophobicContact CD1-CD2 4.39Å; L183-L186 WeakPolarHBondContact O-CA 3.44Å; L183-L186 WeakPolarHBondContact O-CB 3.41Å; L183-L186 PolarHBondContact O-N 3.5Å; L183-L187 HydrophobicContact CD1-CD2 3.76Å; L183-L187 HydrophobicContact CG-CD2 4.07Å; L183-L187 VanDerWaalsContact O-CD2 3.3Å; L183-L187 WeakPolarHBondContact O-CD2 3.48Å; L183-L187 VanDerWaalsContact O-CG 3.26Å; L183-L187 WeakPolarHBondContact O-CG 3.5Å; L183-L187 PolarHBondContact O-N 2.93Å; L183-L187 VanDerWaalsContact O-N 3.07Å; L183-F205 HydrophobicContact CD1-CD2 3.72Å; L183-F205 HydrophobicContact CD1-CE2 3.65Å; L183-F205 HydrophobicContact CD1-CG 4.26Å; L183-F205 HydrophobicContact CD1-CZ 4.13Å; L183-L208 HydrophobicContact CB-CD2 4.46Å; L183-L208 HydrophobicContact CD2-CB 4.31Å; L183-L208 HydrophobicContact CD2-CD1 4.38Å; L183-L208 HydrophobicContact CD2-CD2 4.21Å; L183-L208 HydrophobicContact CG-CD2 4.37Å; L183-V221 HydrophobicContact CD2-CG1 4.28Å; L183-V221 HydrophobicContact CD2-CG2 3.64Å; L183-L395 HydrophobicContact CB-CD2 4.01Å; L183-L395 HydrophobicContact CD1-CD2 4.09Å; L183-L395 HydrophobicContact CG-CD2 4.45Å
184	Q	95	Very high	94.1	Very high	40 Å²	40	38.4 Å²	38.4	19%	0.187	18%	0.182	C	C	.	.	H	α-helix	trans	-56.4	-43.5	173.2	-77.9	163.1	88.9	0	0	112.4	Y121 A180 E181 F182 L186 L187 L208	Y121-Q184 VanDerWaalsContact CD1-CD 3.46Å; Y121-Q184 HydrophobicContact CD1-CG 4.34Å; A180-Q184 PolarHBondContact O-N 3.46Å; A180-Q184 PolarHBondContact O-NE2 2.8Å; E181-Q184 PolarHBondContact O-N 3.37Å; F182-Q184 PolarHBondContact O-N 2.67Å; Q184-L186 PolarHBondContact O-N 3.39Å; Q184-L187 PolarHBondContact O-N 3.06Å; Q184-L208 HydrophobicContact CG-CD2 3.92Å
185	K	93.4	Very high	94	Very high	114 Å²	114	41.1 Å²	41.1	50%	0.496	20%	0.197	S	C	.	.	H	α-helix	trans	-69.4	-20.1	177.4	-66.5	158.1	-170.9	162.2	0	112.8	E181 F182 L183 F297	E181-K185 WeakPolarHBondContact O-CD 3.48Å; E181-K185 WeakPolarHBondContact O-CG 3.48Å; E181-K185 PolarHBondContact O-N 2.81Å; E181-K185 IonicContact OE2-NZ 3.87Å; E181-K185 PolarHBondContact OE2-NZ 3.26Å; F182-K185 CarbonylContact O-C 3.51Å; F182-K185 WeakPolarHBondContact O-CA 3.45Å; F182-K185 PolarHBondContact O-N 2.91Å; F182-K185 VanDerWaalsContact O-N 3.1Å; L183-K185 VanDerWaalsContact C-N 3.31Å; L183-K185 PolarHBondContact O-N 3.38Å; K185-F297 WeakPolarHBondContact O-CE1 3.33Å
186	L	95.6	Very high	93.8	Very high	3 Å²	3	47 Å²	47	2%	0.016	22%	0.224	C	C	.	.	H	α-helix	trans	-85.4	-27.9	176.5	179.9	63.3	0	0	0	112.9	F182 L183 Q184 P188 G189 Y190 F297 I299 I394	F182-L186 HydrophobicContact CE1-CD2 4.42Å; F182-L186 WeakPolarHBondContact O-CB 3.32Å; F182-L186 PolarHBondContact O-N 3.08Å; L183-L186 HydrophobicContact CD1-CD2 4.39Å; L183-L186 WeakPolarHBondContact O-CA 3.44Å; L183-L186 WeakPolarHBondContact O-CB 3.41Å; L183-L186 PolarHBondContact O-N 3.5Å; Q184-L186 PolarHBondContact O-N 3.39Å; L186-P188 VanDerWaalsContact C-CD 3.49Å; L186-G189 PolarHBondContact O-N 2.78Å; L186-Y190 PolarHBondContact O-N 2.96Å; L186-F297 HydrophobicContact CD1-CB 4.32Å; L186-F297 HydrophobicContact CD1-CD1 3.74Å; L186-F297 HydrophobicContact CD1-CD2 3.6Å; L186-F297 HydrophobicContact CD1-CE1 3.91Å; L186-F297 HydrophobicContact CD1-CE2 3.78Å; L186-F297 HydrophobicContact CD1-CG 3.59Å; L186-F297 HydrophobicContact CD1-CZ 3.93Å; L186-I299 HydrophobicContact CD1-CD1 4.46Å; L186-I394 HydrophobicContact CD2-CD1 4.16Å
187	L	97.1	Very high	93.7	Very high	0 Å²	0	43 Å²	43	0%	0	21%	0.206	C	C	.	.	H	α-helix	trans	-52.6	-41.4	-170.4	-56.2	-172.7	0	0	0	115.4	F92 A122 F126 F129 L183 Q184 G189 Y190 F191	F92-L187 HydrophobicContact CB-CB 4.34Å; F92-L187 HydrophobicContact CD1-CB 3.5Å; F92-L187 HydrophobicContact CD1-CD1 4.17Å; F92-L187 HydrophobicContact CD1-CG 4.49Å; F92-L187 HydrophobicContact CE1-CB 4.1Å; F92-L187 HydrophobicContact CG-CB 4.16Å; A122-L187 HydrophobicContact CB-CD1 3.57Å; F126-L187 HydrophobicContact CE2-CD1 4.04Å; F126-L187 HydrophobicContact CZ-CD1 4.27Å; F126-L187 HydrophobicContact CZ-CD2 4.01Å; F129-L187 HydrophobicContact CE2-CD2 4.11Å; L183-L187 HydrophobicContact CD1-CD2 3.76Å; L183-L187 HydrophobicContact CG-CD2 4.07Å; L183-L187 VanDerWaalsContact O-CD2 3.3Å; L183-L187 WeakPolarHBondContact O-CD2 3.48Å; L183-L187 VanDerWaalsContact O-CG 3.26Å; L183-L187 WeakPolarHBondContact O-CG 3.5Å; L183-L187 PolarHBondContact O-N 2.93Å; L183-L187 VanDerWaalsContact O-N 3.07Å; Q184-L187 PolarHBondContact O-N 3.06Å; L187-G189 PolarHBondContact O-N 3.22Å; L187-Y190 PolarHBondContact O-N 2.89Å; L187-F191 WeakPolarHBondContact O-CB 3.43Å; L187-F191 PolarHBondContact O-N 2.96Å
188	P	96.7	Very high	93.2	Very high	37 Å²	37	45.8 Å²	45.8	24%	0.24	22%	0.216	C	C	.	.	H	α-helix	trans	-64.4	-40.4	178.7	-21.8	33.7	0	0	0	112.8	M89 F92 L186 M192	M89-P188 HydrophobicContact CE-CB 4.29Å; M89-P188 HydrophobicContact SD-CB 4.04Å; M89-P188 HydrophobicContact SD-CG 4.01Å; F92-P188 HydrophobicContact CB-CG 4.3Å; F92-P188 HydrophobicContact CD2-CB 4.25Å; F92-P188 HydrophobicContact CD2-CG 3.81Å; F92-P188 HydrophobicContact CE2-CB 4.26Å; F92-P188 HydrophobicContact CE2-CG 4.31Å; F92-P188 HydrophobicContact CG-CG 4.06Å; L186-P188 VanDerWaalsContact C-CD 3.49Å; P188-M192 WeakPolarHBondContact O-CG 3.37Å; P188-M192 PolarHBondContact O-N 3.48Å; P188-M192 VanDerWaalsContact O-N 3.13Å
189	G	95.3	Very high	92.9	Very high	8 Å²	8	43.9 Å²	43.9	8%	0.082	21%	0.206	C	C	.	.	H	α-helix	trans	-73.2	-31.9	176	0	0	0	0	0	112.8	L186 L187 M192 N193	L186-G189 PolarHBondContact O-N 2.78Å; L187-G189 PolarHBondContact O-N 3.22Å; G189-M192 PolarHBondContact O-N 2.68Å; G189-N193 WeakPolarHBondContact O-CB 3.26Å; G189-N193 PolarHBondContact O-N 3.1Å
190	Y	96.1	Very high	92.9	Very high	1 Å²	1	43.3 Å²	43.3	0%	0.004	20%	0.203	C	C	.	.	H	α-helix	trans	-65.4	-44.7	172.1	-173.8	-97.5	0	0	0	111.6	F129 F133 L186 L187 M192 N193 I194 P203 K204 F205	F129-Y190 HydrophobicContact CD1-CD1 4.42Å; F129-Y190 HydrophobicContact CD1-CE1 4.38Å; F129-Y190 HydrophobicContact CD2-CD1 4.48Å; F129-Y190 HydrophobicContact CD2-CE1 4.35Å; F129-Y190 HydrophobicContact CE1-CD1 4.04Å; F129-Y190 HydrophobicContact CE1-CE1 4.45Å; F129-Y190 HydrophobicContact CE2-CD1 4.15Å; F129-Y190 HydrophobicContact CE2-CE1 4.46Å; F129-Y190 HydrophobicContact CG-CE1 4.33Å; F129-Y190 AromaticContact CZ-CD1 3.9Å; F129-Y190 HydrophobicContact CZ-CD1 3.9Å; F129-Y190 HydrophobicContact CZ-CE1 4.5Å; F133-Y190 HydrophobicContact CE2-CE1 4.41Å; F133-Y190 WeakPolarHBondContact CE2-OH 3.28Å; F133-Y190 WeakPolarHBondContact CZ-OH 2.98Å; L186-Y190 PolarHBondContact O-N 2.96Å; L187-Y190 PolarHBondContact O-N 2.89Å; Y190-M192 VanDerWaalsContact C-N 3.32Å; Y190-M192 PolarHBondContact O-N 3.21Å; Y190-N193 PolarHBondContact O-N 3.33Å; Y190-N193 VanDerWaalsContact O-N 3.08Å; Y190-I194 HydrophobicContact CD1-CG2 4.15Å; Y190-I194 HydrophobicContact CE1-CG2 3.81Å; Y190-I194 HydrophobicContact CE2-CG2 4.4Å; Y190-I194 PolarHBondContact O-N 2.88Å; Y190-P203 WeakPolarHBondContact CE2-O 3.46Å; Y190-P203 PolarHBondContact OH-O 3.3Å; Y190-K204 WeakPolarHBondContact OH-CA 3.46Å; Y190-F205 HydrophobicContact CD2-CD2 4.28Å; Y190-F205 HydrophobicContact CD2-CE2 4.45Å; Y190-F205 HydrophobicContact CE1-CD2 4.35Å; Y190-F205 AromaticContact CE2-CD2 3.76Å; Y190-F205 HydrophobicContact CE2-CD2 3.76Å; Y190-F205 HydrophobicContact CE2-CE2 4.09Å; Y190-F205 AromaticContact CZ-CD2 3.79Å; Y190-F205 PolarHBondContact OH-N 3.5Å
191	F	96.2	Very high	92.9	Very high	55 Å²	55	43.7 Å²	43.7	24%	0.241	21%	0.205	C	C	.	.	H	α-helix	trans	-57.1	-42.7	173	176.2	-82.2	0	0	0	112.1	V87 F92 Y128 F129 L187 I194 N195	V87-F191 HydrophobicContact CB-CE2 4.02Å; V87-F191 HydrophobicContact CG2-CE2 4.16Å; F92-F191 HydrophobicContact CE1-CB 4.16Å; F92-F191 HydrophobicContact CE1-CD2 4.4Å; F92-F191 HydrophobicContact CZ-CB 3.83Å; F92-F191 AromaticContact CZ-CD2 3.96Å; F92-F191 HydrophobicContact CZ-CD2 3.96Å; F92-F191 AromaticContact CZ-CG 3.89Å; F92-F191 HydrophobicContact CZ-CG 3.89Å; Y128-F191 AromaticContact CD1-CD2 3.78Å; Y128-F191 HydrophobicContact CD1-CD2 3.78Å; Y128-F191 AromaticContact CD1-CE2 3.62Å; Y128-F191 HydrophobicContact CD1-CE2 3.62Å; Y128-F191 AromaticContact CE1-CD2 3.49Å; Y128-F191 HydrophobicContact CE1-CD2 3.49Å; Y128-F191 VanDerWaalsContact CE1-CD2 3.49Å; Y128-F191 AromaticContact CE1-CE2 3.17Å; Y128-F191 HydrophobicContact CE1-CE2 3.17Å; Y128-F191 HydrophobicContact CE1-CZ 4.08Å; Y128-F191 HydrophobicContact CE2-CE2 4.46Å; Y128-F191 HydrophobicContact CG-CE2 4.42Å; Y128-F191 AromaticContact CZ-CE2 3.65Å; F129-F191 HydrophobicContact CE1-CB 4.01Å; F129-F191 HydrophobicContact CE1-CD2 4.05Å; F129-F191 HydrophobicContact CZ-CB 4.31Å; L187-F191 WeakPolarHBondContact O-CB 3.43Å; L187-F191 PolarHBondContact O-N 2.96Å; F191-I194 WeakPolarHBondContact O-CG1 3.35Å; F191-N195 PolarHBondContact O-N 2.94Å; F191-N195 PolarHBondContact O-ND2 2.9Å
192	M	94.9	Very high	93	Very high	110 Å²	110	40.8 Å²	40.8	54%	0.542	19%	0.192	S	C	.	.	H	α-helix	trans	-63.5	-43.8	172.9	-68.4	174	70.6	0	0	111.6	P188 G189 Y190 Q196	P188-M192 WeakPolarHBondContact O-CG 3.37Å; P188-M192 PolarHBondContact O-N 3.48Å; P188-M192 VanDerWaalsContact O-N 3.13Å; G189-M192 PolarHBondContact O-N 2.68Å; Y190-M192 VanDerWaalsContact C-N 3.32Å; Y190-M192 PolarHBondContact O-N 3.21Å; M192-Q196 WeakPolarHBondContact O-CB 3.3Å; M192-Q196 WeakPolarHBondContact O-CG 3.39Å; M192-Q196 PolarHBondContact O-N 3.08Å
193	N	93.4	Very high	93	Very high	12 Å²	12	40.5 Å²	40.5	6%	0.064	19%	0.191	C	C	.	.	H	α-helix	trans	-65.1	-49	-178.6	-179	64.7	0	0	0	113	G189 Y190 N195 Q196 N197 T200 L293	G189-N193 WeakPolarHBondContact O-CB 3.26Å; G189-N193 PolarHBondContact O-N 3.1Å; Y190-N193 PolarHBondContact O-N 3.33Å; Y190-N193 VanDerWaalsContact O-N 3.08Å; N193-N195 PolarHBondContact O-N 3.25Å; N193-Q196 CarbonylContact O-C 3.52Å; N193-Q196 PolarHBondContact O-N 2.95Å; N193-Q196 VanDerWaalsContact O-N 3.16Å; N193-N197 WeakPolarHBondContact O-CA 3.32Å; N193-N197 VanDerWaalsContact O-CB 3.31Å; N193-N197 WeakPolarHBondContact O-CB 3.27Å; N193-N197 PolarHBondContact O-N 3.39Å; N193-T200 WeakPolarHBondContact ND2-CB 3.31Å; N193-T200 PolarHBondContact ND2-OG1 3.46Å; N193-L293 HydrophobicContact CB-CD1 4.3Å; N193-L293 HydrophobicContact CB-CD2 3.68Å
194	I	91.3	Very high	93	Very high	4 Å²	4	41.1 Å²	41.1	2%	0.021	19%	0.193	C	C	.	.	H	α-helix	trans	-61.7	-33.8	-178.1	63.6	178.6	0	0	0	112.1	Y128 F129 M132 F133 Y190 F191 K198 T200	Y128-I194 HydrophobicContact CE1-CD1 4.26Å; F129-I194 HydrophobicContact CD1-CD1 3.36Å; F129-I194 HydrophobicContact CE1-CD1 3.68Å; F129-I194 HydrophobicContact CG-CD1 4.43Å; M132-I194 HydrophobicContact CB-CD1 4.41Å; F133-I194 HydrophobicContact CE1-CG2 4.36Å; F133-I194 HydrophobicContact CZ-CG2 3.77Å; Y190-I194 HydrophobicContact CD1-CG2 4.15Å; Y190-I194 HydrophobicContact CE1-CG2 3.81Å; Y190-I194 HydrophobicContact CE2-CG2 4.4Å; Y190-I194 PolarHBondContact O-N 2.88Å; F191-I194 WeakPolarHBondContact O-CG1 3.35Å; I194-K198 PolarHBondContact O-N 3.05Å; I194-T200 HydrophobicContact CG2-CG2 4.46Å
195	N	90.6	Very high	93.1	Very high	60 Å²	60	39.4 Å²	39.4	32%	0.321	19%	0.185	S	C	.	.	H	α-helix	trans	-73.2	-37.6	176.4	-82.5	-61	0	0	0	113	Y128 M132 F191 N193	Y128-N195 PolarHBondContact OH-ND2 3.17Å; Y128-N195 PolarHBondContact OH-OD1 3.04Å; M132-N195 WeakPolarHBondContact CE-OD1 3.35Å; F191-N195 PolarHBondContact O-N 2.94Å; F191-N195 PolarHBondContact O-ND2 2.9Å; N193-N195 PolarHBondContact O-N 3.25Å
196	Q	90	Very high	93.3	Very high	126 Å²	126	34 Å²	34	59%	0.589	16%	0.162	S	C	*	.	H	α-helix	trans	-91.4	-12	179.8	-64	-177.9	6.4	0	0	114.2	M192 N193 R289	M192-Q196 WeakPolarHBondContact O-CB 3.3Å; M192-Q196 WeakPolarHBondContact O-CG 3.39Å; M192-Q196 PolarHBondContact O-N 3.08Å; N193-Q196 CarbonylContact O-C 3.52Å; N193-Q196 PolarHBondContact O-N 2.95Å; N193-Q196 VanDerWaalsContact O-N 3.16Å; Q196-R289 PolarHBondContact O-NH2 2.78Å
197	N	88.1	Confident	93.4	Very high	10 Å²	10	33.9 Å²	33.9	5%	0.053	16%	0.162	C	C	.	.			trans	-146.7	64.2	-173.7	-166.2	27.2	0	0	0	110.4	N193 R199 T200 D290	N193-N197 WeakPolarHBondContact O-CA 3.32Å; N193-N197 VanDerWaalsContact O-CB 3.31Å; N193-N197 WeakPolarHBondContact O-CB 3.27Å; N193-N197 PolarHBondContact O-N 3.39Å; N197-R199 PolarHBondContact O-N 3.08Å; N197-T200 VanDerWaalsContact O-CB 3.26Å; N197-T200 WeakPolarHBondContact O-CB 3.36Å; N197-T200 WeakPolarHBondContact O-CG2 3.26Å; N197-T200 PolarHBondContact O-N 3.39Å; N197-D290 PolarHBondContact ND2-OD1 3.24Å
198	K	81.9	Confident	93.5	Very high	153 Å²	153	33.9 Å²	33.9	67%	0.665	16%	0.162	S	C	*	.	T	Hydrogen-bonded Turn	trans	-52.9	-17.4	176.8	-60.5	-167.6	176.7	-169.1	0	114.5	I194	I194-K198 PolarHBondContact O-N 3.05Å
199	R	82.9	Confident	93.6	Very high	93 Å²	93	32.3 Å²	32.3	35%	0.351	15%	0.151	S	C	.	.	T	Hydrogen-bonded Turn	trans	-86.7	-5.9	179	-40.7	-158.6	175.2	-156.4	-9.5	114.2	N197 T286 S355	N197-R199 PolarHBondContact O-N 3.08Å; R199-T286 HydrophobicContact CB-CG2 4.03Å; R199-T286 WeakPolarHBondContact O-CG2 3.14Å; R199-S355 WeakPolarHBondContact CD-OG 3.17Å; R199-S355 WeakPolarHBondContact CG-OG 3.4Å; R199-S355 PolarHBondContact NH1-O 2.52Å; R199-S355 PolarHBondContact NH2-O 3.02Å
200	T	93.1	Very high	93.7	Very high	3 Å²	3	32 Å²	32	2%	0.018	15%	0.147	C	C	.	.			trans	-47.3	137.7	-169	-173.6	0	0	0	0	113.2	N193 I194 N197 L202 D290	N193-T200 WeakPolarHBondContact ND2-CB 3.31Å; N193-T200 PolarHBondContact ND2-OG1 3.46Å; I194-T200 HydrophobicContact CG2-CG2 4.46Å; N197-T200 VanDerWaalsContact O-CB 3.26Å; N197-T200 WeakPolarHBondContact O-CB 3.36Å; N197-T200 WeakPolarHBondContact O-CG2 3.26Å; N197-T200 PolarHBondContact O-N 3.39Å; T200-L202 VanDerWaalsContact C-N 3.34Å; T200-L202 WeakPolarHBondContact OG1-CG 3.23Å; T200-L202 PolarHBondContact OG1-N 3.13Å; T200-D290 WeakPolarHBondContact CA-OD2 3.21Å; T200-D290 WeakPolarHBondContact CB-OD1 3.11Å; T200-D290 PolarHBondContact OG1-OD1 2.92Å; T200-D290 PolarHBondContact OG1-OD2 2.84Å
201	L	95.3	Very high	93.8	Very high	10 Å²	10	32 Å²	32	5%	0.052	15%	0.147	C	C	.	.			trans	-87.9	-4.8	177.1	-59.8	179.2	0	0	0	112.3	L283 T286 I287 D290 L304 I389 G390 I391	L201-L283 HydrophobicContact CD1-CD1 3.94Å; L201-T286 HydrophobicContact CG-CG2 4.09Å; L201-I287 HydrophobicContact CD1-CD1 4.47Å; L201-I287 HydrophobicContact CD1-CG1 3.65Å; L201-D290 PolarHBondContact N-OD2 3.03Å; L201-L304 HydrophobicContact CD1-CD1 4.24Å; L201-I389 HydrophobicContact CD1-CD1 3.97Å; L201-I389 HydrophobicContact CD2-CD1 3.92Å; L201-I389 HydrophobicContact CD2-CG1 4.04Å; L201-G390 CarbonylContact O-C 3.52Å; L201-G390 WeakPolarHBondContact O-CA 3.33Å; L201-I391 HydrophobicContact CB-CD1 4.14Å; L201-I391 HydrophobicContact CB-CG1 3.95Å; L201-I391 PolarHBondContact O-N 2.9Å
202	L	95.6	Very high	93.8	Very high	6 Å²	6	32.3 Å²	32.3	3%	0.031	15%	0.15	C	C	.	.	S	Bend	trans	-63.1	153.8	177	-58.7	-179.6	0	0	0	111	T200 K204 D290 L293 L294 I391 I394	T200-L202 VanDerWaalsContact C-N 3.34Å; T200-L202 WeakPolarHBondContact OG1-CG 3.23Å; T200-L202 PolarHBondContact OG1-N 3.13Å; L202-K204 PolarHBondContact O-N 3.32Å; L202-D290 HydrophobicContact CD2-CB 4.05Å; L202-D290 HydrophobicContact CG-CB 4.12Å; L202-L293 HydrophobicContact CD1-CD2 3.53Å; L202-L294 HydrophobicContact CD2-CD1 3.88Å; L202-L294 HydrophobicContact CD2-CD2 3.92Å; L202-L294 HydrophobicContact CD2-CG 4.04Å; L202-I391 HydrophobicContact CD2-CB 4.25Å; L202-I391 HydrophobicContact CD2-CD1 4.26Å; L202-I391 HydrophobicContact CD2-CG2 4.32Å; L202-I394 HydrophobicContact CB-CD1 4.46Å; L202-I394 HydrophobicContact CD2-CD1 4.32Å; L202-I394 HydrophobicContact CD2-CG2 4.29Å
203	P	95.1	Very high	93.4	Very high	5 Å²	5	27.5 Å²	27.5	3%	0.032	13%	0.127	C	C	.	.			trans	-55.9	136.9	179.3	-24.5	35.5	0	0	0	111.6	Y190 F205 M223 I391 I394	Y190-P203 WeakPolarHBondContact CE2-O 3.46Å; Y190-P203 PolarHBondContact OH-O 3.3Å; P203-F205 HydrophobicContact CB-CD1 4.24Å; P203-F205 HydrophobicContact CB-CE1 3.74Å; P203-F205 HydrophobicContact CB-CE2 4.46Å; P203-F205 HydrophobicContact CB-CZ 3.87Å; P203-F205 HydrophobicContact CG-CE1 4.38Å; P203-F205 HydrophobicContact CG-CZ 4.17Å; P203-F205 PolarHBondContact O-N 2.59Å; P203-M223 HydrophobicContact CB-CE 4Å; P203-M223 HydrophobicContact CB-SD 4.48Å; P203-I391 VanDerWaalsContact CD-O 3.23Å; P203-I391 WeakPolarHBondContact CD-O 3.32Å; P203-I391 WeakPolarHBondContact CG-O 3.44Å; P203-I394 HydrophobicContact CG-CD1 4.35Å; P203-I394 HydrophobicContact CG-CG1 4.18Å
204	K	94.7	Very high	92.8	Very high	13 Å²	13	30.2 Å²	30.2	6%	0.057	16%	0.158	C	C	.	.			trans	-80.6	105.4	173.6	-55.5	176.2	-177.3	-68.5	0	107.9	F133 Y190 L202 Y206 M223 N224 T351	F133-K204 HydrophobicContact CD1-CD 4.15Å; F133-K204 HydrophobicContact CD1-CG 4.18Å; F133-K204 HydrophobicContact CD2-CB 3.9Å; F133-K204 HydrophobicContact CD2-CG 4.33Å; F133-K204 HydrophobicContact CE1-CB 4.49Å; F133-K204 HydrophobicContact CE1-CD 4.43Å; F133-K204 HydrophobicContact CE1-CG 3.99Å; F133-K204 HydrophobicContact CE2-CB 3.76Å; F133-K204 HydrophobicContact CE2-CG 4.16Å; F133-K204 HydrophobicContact CG-CB 4.33Å; F133-K204 HydrophobicContact CG-CD 4.28Å; F133-K204 HydrophobicContact CG-CG 4.35Å; F133-K204 HydrophobicContact CZ-CB 4.07Å; F133-K204 HydrophobicContact CZ-CG 3.97Å; Y190-K204 WeakPolarHBondContact OH-CA 3.46Å; L202-K204 PolarHBondContact O-N 3.32Å; K204-Y206 HydrophobicContact CB-CD1 4.42Å; K204-Y206 HydrophobicContact CB-CE1 3.51Å; K204-Y206 HydrophobicContact CB-CE2 4.47Å; K204-Y206 WeakPolarHBondContact CB-OH 3.19Å; K204-Y206 VanDerWaalsContact CD-OH 3.26Å; K204-Y206 WeakPolarHBondContact CD-OH 3.46Å; K204-M223 WeakPolarHBondContact O-CA 3.4Å; K204-M223 VanDerWaalsContact O-CB 3.26Å; K204-M223 WeakPolarHBondContact O-CB 3.45Å; K204-N224 HydrophobicContact CB-CB 4.04Å; K204-N224 WeakPolarHBondContact CB-OD1 3.3Å; K204-N224 HydrophobicContact CD-CB 4Å; K204-N224 HydrophobicContact CG-CB 4.33Å; K204-N224 WeakPolarHBondContact CG-OD1 3.24Å; K204-N224 PolarHBondContact N-OD1 3.32Å; K204-N224 PolarHBondContact O-N 3.07Å; K204-T351 WeakPolarHBondContact CE-OG1 3.4Å; K204-T351 PolarHBondContact NZ-OG1 2.65Å
205	F	97.4	Very high	92.5	Very high	4 Å²	4	33.2 Å²	33.2	2%	0.018	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.8	120.9	-178.1	-59.6	-60.2	0	0	0	110.9	F126 L183 Y190 P203 V221 M223 I394 L395	F126-F205 HydrophobicContact CE1-CB 3.9Å; L183-F205 HydrophobicContact CD1-CD2 3.72Å; L183-F205 HydrophobicContact CD1-CE2 3.65Å; L183-F205 HydrophobicContact CD1-CG 4.26Å; L183-F205 HydrophobicContact CD1-CZ 4.13Å; Y190-F205 HydrophobicContact CD2-CD2 4.28Å; Y190-F205 HydrophobicContact CD2-CE2 4.45Å; Y190-F205 HydrophobicContact CE1-CD2 4.35Å; Y190-F205 AromaticContact CE2-CD2 3.76Å; Y190-F205 HydrophobicContact CE2-CD2 3.76Å; Y190-F205 HydrophobicContact CE2-CE2 4.09Å; Y190-F205 AromaticContact CZ-CD2 3.79Å; Y190-F205 PolarHBondContact OH-N 3.5Å; P203-F205 HydrophobicContact CB-CD1 4.24Å; P203-F205 HydrophobicContact CB-CE1 3.74Å; P203-F205 HydrophobicContact CB-CE2 4.46Å; P203-F205 HydrophobicContact CB-CZ 3.87Å; P203-F205 HydrophobicContact CG-CE1 4.38Å; P203-F205 HydrophobicContact CG-CZ 4.17Å; P203-F205 PolarHBondContact O-N 2.59Å; F205-V221 HydrophobicContact CD1-CG1 3.52Å; F205-V221 HydrophobicContact CE1-CG1 3.96Å; F205-M223 HydrophobicContact CD1-CB 4.27Å; F205-I394 HydrophobicContact CE2-CD1 4.01Å; F205-I394 HydrophobicContact CZ-CD1 4.03Å; F205-I394 HydrophobicContact CZ-CG1 4.1Å; F205-L395 HydrophobicContact CZ-CD2 3.96Å
206	Y	98	Very high	92.4	Very high	1 Å²	1	35.5 Å²	35.5	0%	0.004	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.4	-19.7	-173.6	-53.3	-42.9	0	0	0	113.8	F126 R130 F133 I135 Y140 F170 K204 V222 N224	F126-Y206 VanDerWaalsContact CD1-C 3.48Å; R130-Y206 HydrophobicContact CG-CD1 4.01Å; R130-Y206 HydrophobicContact CG-CG 4.22Å; R130-Y206 PolarHBondContact NE-O 3.07Å; F133-Y206 HydrophobicContact CB-CE1 3.98Å; F133-Y206 HydrophobicContact CD2-CD1 4.12Å; F133-Y206 AromaticContact CD2-CE1 3.61Å; F133-Y206 HydrophobicContact CD2-CE1 3.61Å; F133-Y206 HydrophobicContact CE2-CE1 4.45Å; F133-Y206 HydrophobicContact CG-CE1 4.11Å; I135-Y206 HydrophobicContact CD1-CD1 3.81Å; I135-Y206 HydrophobicContact CD1-CD2 4.2Å; I135-Y206 HydrophobicContact CD1-CE1 3.3Å; I135-Y206 HydrophobicContact CD1-CE2 3.7Å; I135-Y206 HydrophobicContact CD1-CG 4.23Å; I135-Y206 WeakPolarHBondContact CD1-OH 3.35Å; Y140-Y206 HydrophobicContact CE2-CD2 4.49Å; Y140-Y206 HydrophobicContact CE2-CG 4.36Å; F170-Y206 AromaticContact CD1-CD2 3.59Å; F170-Y206 HydrophobicContact CD1-CD2 3.59Å; F170-Y206 AromaticContact CD1-CE2 3.72Å; F170-Y206 HydrophobicContact CD1-CE2 3.72Å; F170-Y206 AromaticContact CE1-CD2 3.55Å; F170-Y206 HydrophobicContact CE1-CD2 3.55Å; F170-Y206 AromaticContact CE1-CE2 3.56Å; F170-Y206 HydrophobicContact CE1-CE2 3.56Å; F170-Y206 HydrophobicContact CE1-CG 4.45Å; K204-Y206 HydrophobicContact CB-CD1 4.42Å; K204-Y206 HydrophobicContact CB-CE1 3.51Å; K204-Y206 HydrophobicContact CB-CE2 4.47Å; K204-Y206 WeakPolarHBondContact CB-OH 3.19Å; K204-Y206 VanDerWaalsContact CD-OH 3.26Å; K204-Y206 WeakPolarHBondContact CD-OH 3.46Å; Y206-V222 HydrophobicContact CD2-CG1 4.45Å; Y206-V222 PolarHBondContact N-O 3.37Å; Y206-N224 HydrophobicContact CE2-CB 3.92Å; Y206-N224 VanDerWaalsContact CE2-N 3.31Å; Y206-N224 WeakPolarHBondContact OH-CB 3.43Å
207	G	98.3	Very high	92.6	Very high	1 Å²	1	32 Å²	32	1%	0.01	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-170.4	148.1	171.7	0	0	0	0	0	112.9	V221 V222	G207-V221 WeakPolarHBondContact O-CA 3.5Å; G207-V222 PolarHBondContact N-O 3.41Å; G207-V222 PolarHBondContact O-N 2.86Å
208	L	98.8	Very high	92.9	Very high	0 Å²	0	31.6 Å²	31.6	0%	0	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.4	122.9	168.8	169.9	64.1	0	0	0	108.2	Y121 F126 A180 L183 Q184 V221	Y121-L208 HydrophobicContact CD1-CD2 4.47Å; Y121-L208 HydrophobicContact CD2-CD2 4.26Å; Y121-L208 HydrophobicContact CD2-CG 3.79Å; Y121-L208 WeakPolarHBondContact CD2-O 3.39Å; Y121-L208 HydrophobicContact CG-CD2 3.93Å; Y121-L208 HydrophobicContact CG-CG 3.93Å; Y121-L208 PolarHBondContact N-O 2.7Å; F126-L208 HydrophobicContact CE2-CB 3.73Å; F126-L208 HydrophobicContact CZ-CB 3.73Å; A180-L208 HydrophobicContact CB-CD1 3.98Å; L183-L208 HydrophobicContact CB-CD2 4.46Å; L183-L208 HydrophobicContact CD2-CB 4.31Å; L183-L208 HydrophobicContact CD2-CD1 4.38Å; L183-L208 HydrophobicContact CD2-CD2 4.21Å; L183-L208 HydrophobicContact CG-CD2 4.37Å; Q184-L208 HydrophobicContact CG-CD2 3.92Å; L208-V221 HydrophobicContact CD1-CG2 3.78Å
209	Y	98.6	Very high	93.6	Very high	4 Å²	4	25.5 Å²	25.5	2%	0.016	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.2	163.3	-175.1	-44.2	-88.4	0	0	0	112.4	I72 F118 K119 T120 Y140 R219 I220 V222	I72-Y209 HydrophobicContact CD1-CD2 4.26Å; I72-Y209 HydrophobicContact CD1-CE2 3.81Å; I72-Y209 HydrophobicContact CG1-CD2 4.37Å; I72-Y209 HydrophobicContact CG1-CE1 4.14Å; I72-Y209 HydrophobicContact CG1-CE2 3.98Å; F118-Y209 AromaticContact CE1-CD1 3.52Å; F118-Y209 HydrophobicContact CE1-CD1 3.52Å; F118-Y209 HydrophobicContact CE1-CE1 4.22Å; F118-Y209 HydrophobicContact CE1-CG 4.11Å; F118-Y209 AromaticContact CZ-CD1 3.59Å; F118-Y209 HydrophobicContact CZ-CD1 3.59Å; F118-Y209 HydrophobicContact CZ-CE1 4.38Å; F118-Y209 AromaticContact CZ-CG 3.71Å; F118-Y209 HydrophobicContact CZ-CG 3.71Å; K119-Y209 CarbonylContact O-C 3.39Å; K119-Y209 WeakPolarHBondContact O-CA 3.23Å; T120-Y209 HydrophobicContact CG2-CD1 3.93Å; T120-Y209 HydrophobicContact CG2-CE1 3.79Å; Y140-Y209 PolarHBondContact OH-OH 3.34Å; Y209-R219 WeakPolarHBondContact O-CA 3.44Å; Y209-I220 HydrophobicContact CD2-CD1 3.9Å; Y209-I220 HydrophobicContact CD2-CG1 4.2Å; Y209-I220 HydrophobicContact CG-CD1 4.45Å; Y209-I220 PolarHBondContact N-O 2.98Å; Y209-I220 PolarHBondContact O-N 2.94Å; Y209-V222 HydrophobicContact CD2-CG2 4.17Å; Y209-V222 HydrophobicContact CE2-CB 4.46Å; Y209-V222 HydrophobicContact CE2-CG2 3.73Å
210	C	98.3	Very high	94.3	Very high	0 Å²	0	21 Å²	21	0%	0	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.8	124.7	168.4	-172.9	0	0	0	0	111.3	K119 Y121 I218 R219	K119-C210 HydrophobicContact CB-CB 4.22Å; K119-C210 PolarHBondContact N-O 2.78Å; K119-C210 PolarHBondContact O-N 2.8Å; Y121-C210 HydrophobicContact CE2-CB 3.82Å; C210-I218 CarbonylContact C-O 3.58Å; C210-I218 WeakPolarHBondContact CA-O 3.21Å; C210-R219 HydrophobicContact CB-CG 3.88Å
211	V	97.7	Very high	94.6	Very high	1 Å²	1	21 Å²	21	1%	0.006	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.2	123.6	162.6	-177.7	0	0	0	0	107.7	L64 A67 I68 F116 F118 A213 I218	L64-V211 HydrophobicContact CD1-CB 4.21Å; L64-V211 HydrophobicContact CD1-CG1 4.47Å; L64-V211 HydrophobicContact CD1-CG2 4.06Å; A67-V211 HydrophobicContact CB-CG1 3.89Å; A67-V211 HydrophobicContact CB-CG2 4.28Å; I68-V211 HydrophobicContact CG1-CG2 4.01Å; F116-V211 HydrophobicContact CB-CG1 4.33Å; F116-V211 HydrophobicContact CD2-CG1 4.18Å; F118-V211 HydrophobicContact CD2-CG2 3.97Å; F118-V211 HydrophobicContact CE2-CG2 4Å; V211-A213 HydrophobicContact CG1-CB 4.37Å; V211-I218 PolarHBondContact N-O 2.91Å; V211-I218 PolarHBondContact O-N 3.35Å
212	Q	95.4	Very high	94.7	Very high	63 Å²	63	20.5 Å²	20.5	29%	0.294	13%	0.133	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.7	105.7	172.6	178.5	-179	-15.3	0	0	108.7	F116 R117 K119 K216	F116-Q212 WeakPolarHBondContact CA-O 3.42Å; R117-Q212 HydrophobicContact CB-CB 4.24Å; R117-Q212 PolarHBondContact N-O 3.15Å; R117-Q212 WeakPolarHBondContact O-CB 3.02Å; R117-Q212 PolarHBondContact O-N 2.86Å; K119-Q212 VanDerWaalsContact CE-OE1 3.23Å; Q212-K216 WeakPolarHBondContact CA-O 3.3Å
213	A	87.4	Confident	94.7	Very high	8 Å²	8	20.7 Å²	20.7	7%	0.066	13%	0.134	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.9	147.1	-178.1	0	0	0	0	0	109.9	F116 V211 G215 K216	F116-A213 HydrophobicContact CB-CB 4.07Å; V211-A213 HydrophobicContact CG1-CB 4.37Å; A213-G215 PolarHBondContact O-N 3.46Å; A213-G215 VanDerWaalsContact O-N 3.08Å; A213-K216 PolarHBondContact N-O 3.25Å; A213-K216 VanDerWaalsContact N-O 3.1Å; A213-K216 PolarHBondContact O-N 3.1Å
214	G	81.1	Confident	94.5	Very high	70 Å²	70	20.6 Å²	20.6	72%	0.722	13%	0.134	S	C	*	.	T	Hydrogen-bonded Turn	trans	54.4	31.2	176.7	0	0	0	0	0	115.2	K216	G214-K216 VanDerWaalsContact C-N 3.25Å; G214-K216 PolarHBondContact O-N 2.99Å
215	G	83.5	Confident	94.3	Very high	67 Å²	67	20.5 Å²	20.5	69%	0.691	13%	0.134	S	C	*	.	T	Hydrogen-bonded Turn	trans	70.1	12.5	-175.2	0	0	0	0	0	115.2	A213	A213-G215 PolarHBondContact O-N 3.46Å; A213-G215 VanDerWaalsContact O-N 3.08Å
216	K	89.3	Confident	93.8	Very high	107 Å²	107	21 Å²	21	47%	0.465	14%	0.136	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.5	150.7	178	-61	-59	176.6	-165.7	0	111.6	K57 Q212 A213 G214	K57-K216 HydrophobicContact CB-CB 4.13Å; K57-K216 HydrophobicContact CB-CG 4.36Å; K57-K216 WeakPolarHBondContact O-CG 3.32Å; Q212-K216 WeakPolarHBondContact CA-O 3.3Å; A213-K216 PolarHBondContact N-O 3.25Å; A213-K216 VanDerWaalsContact N-O 3.1Å; A213-K216 PolarHBondContact O-N 3.1Å; G214-K216 VanDerWaalsContact C-N 3.25Å; G214-K216 PolarHBondContact O-N 2.99Å
217	N	93.9	Very high	93.3	Very high	54 Å²	54	21.3 Å²	21.3	29%	0.289	14%	0.138	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.9	118.7	179.1	-69.4	-77.8	0	0	0	109.8	K57	K57-N217 PolarHBondContact NZ-O 3.33Å
218	I	95.1	Very high	92.3	Very high	0 Å²	0	21.3 Å²	21.3	0%	0	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.5	108.2	175.5	-58	169.7	0	0	0	106.6	Y56 K57 T59 L64 T174 C210 V211	Y56-I218 HydrophobicContact CD1-CD1 4.07Å; Y56-I218 HydrophobicContact CD1-CG1 3.96Å; Y56-I218 HydrophobicContact CD1-CG2 4.03Å; Y56-I218 HydrophobicContact CE1-CG1 4.22Å; Y56-I218 HydrophobicContact CE1-CG2 4.03Å; K57-I218 HydrophobicContact CB-CG1 4.41Å; K57-I218 HydrophobicContact CD-CG1 4.11Å; T59-I218 HydrophobicContact CG2-CD1 4.37Å; T59-I218 WeakPolarHBondContact OG1-CD1 3.47Å; L64-I218 HydrophobicContact CD1-CB 4.27Å; L64-I218 HydrophobicContact CD1-CD1 3.99Å; L64-I218 HydrophobicContact CD1-CG2 3.81Å; L64-I218 HydrophobicContact CD2-CD1 4.24Å; L64-I218 HydrophobicContact CD2-CG2 3.92Å; T174-I218 HydrophobicContact CG2-CG2 4.31Å; C210-I218 CarbonylContact C-O 3.58Å; C210-I218 WeakPolarHBondContact CA-O 3.21Å; V211-I218 PolarHBondContact N-O 2.91Å; V211-I218 PolarHBondContact O-N 3.35Å
219	R	96.9	Very high	91.4	Very high	25 Å²	25	25.9 Å²	25.9	9%	0.094	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.9	139.2	179.1	-63.9	-169.9	178.9	90	-13.4	109.4	Y121 T174 V175 H177 A180 Y209 C210	Y121-R219 PolarHBondContact OH-NE 3.39Å; T174-R219 CarbonylContact C-O 3.55Å; T174-R219 WeakPolarHBondContact CA-O 3.16Å; V175-R219 HydrophobicContact CG2-CB 3.82Å; V175-R219 PolarHBondContact N-O 3.24Å; H177-R219 PolarHBondContact CD2-NH1 2.54Å; H177-R219 VanDerWaalsContact CD2-NH1 3.31Å; H177-R219 PolarHBondContact CD2-NH2 3.41Å; H177-R219 PolarHBondContact CE1-NH2 2.93Å; H177-R219 PolarHBondContact NE2-NH2 2.77Å; A180-R219 HydrophobicContact CB-CB 4.29Å; A180-R219 HydrophobicContact CB-CG 4.44Å; Y209-R219 WeakPolarHBondContact O-CA 3.44Å; C210-R219 HydrophobicContact CB-CG 3.88Å
220	I	97.6	Very high	90.5	Very high	0 Å²	0	31.9 Å²	31.9	0%	0	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.2	147.5	179.2	54.4	152.4	0	0	0	111	I68 I172 K173 T174 Y209	I68-I220 HydrophobicContact CB-CD1 4.39Å; I68-I220 HydrophobicContact CD1-CD1 3.96Å; I68-I220 HydrophobicContact CD1-CG2 4.19Å; I68-I220 HydrophobicContact CG1-CD1 3.76Å; I68-I220 HydrophobicContact CG2-CD1 3.76Å; I172-I220 HydrophobicContact CG2-CB 3.78Å; I172-I220 HydrophobicContact CG2-CD1 3.71Å; I172-I220 HydrophobicContact CG2-CG1 4.36Å; I172-I220 HydrophobicContact CG2-CG2 3.99Å; K173-I220 CarbonylContact O-C 3.52Å; K173-I220 VanDerWaalsContact O-CA 3.28Å; K173-I220 WeakPolarHBondContact O-CA 3.4Å; T174-I220 HydrophobicContact CG2-CG2 4.13Å; Y209-I220 HydrophobicContact CD2-CD1 3.9Å; Y209-I220 HydrophobicContact CD2-CG1 4.2Å; Y209-I220 HydrophobicContact CG-CD1 4.45Å; Y209-I220 PolarHBondContact N-O 2.98Å; Y209-I220 PolarHBondContact O-N 2.94Å
221	V	98.1	Very high	89.8	Confident	1 Å²	1	32.2 Å²	32.2	1%	0.006	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.2	128.7	167.2	173.9	0	0	0	0	107.7	I172 K173 V175 L183 F205 G207 L208	I172-V221 WeakPolarHBondContact CA-O 3.28Å; K173-V221 PolarHBondContact N-O 2.87Å; K173-V221 PolarHBondContact O-N 3.47Å; V175-V221 HydrophobicContact CG1-CB 4.33Å; V175-V221 HydrophobicContact CG1-CG2 3.84Å; V175-V221 HydrophobicContact CG2-CG2 3.97Å; L183-V221 HydrophobicContact CD2-CG1 4.28Å; L183-V221 HydrophobicContact CD2-CG2 3.64Å; F205-V221 HydrophobicContact CD1-CG1 3.52Å; F205-V221 HydrophobicContact CE1-CG1 3.96Å; G207-V221 WeakPolarHBondContact O-CA 3.5Å; L208-V221 HydrophobicContact CD1-CG2 3.78Å
222	V	98.3	Very high	89.4	Confident	0 Å²	0	34.9 Å²	34.9	0%	0	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.6	129.1	168.6	-175.8	0	0	0	0	107.9	I72 Y140 L144 F170 I172 Y206 G207 Y209	I72-V222 HydrophobicContact CD1-CG2 4.17Å; Y140-V222 HydrophobicContact CE2-CG1 3.99Å; L144-V222 HydrophobicContact CD1-CG1 3.96Å; L144-V222 HydrophobicContact CD2-CG1 4.37Å; F170-V222 HydrophobicContact CB-CG1 4.48Å; F170-V222 HydrophobicContact CD1-CG1 4.23Å; I172-V222 HydrophobicContact CD1-CG2 4.5Å; I172-V222 HydrophobicContact CG1-CG2 4.19Å; I172-V222 HydrophobicContact CG2-CG2 4.23Å; Y206-V222 HydrophobicContact CD2-CG1 4.45Å; Y206-V222 PolarHBondContact N-O 3.37Å; G207-V222 PolarHBondContact N-O 3.41Å; G207-V222 PolarHBondContact O-N 2.86Å; Y209-V222 HydrophobicContact CD2-CG2 4.17Å; Y209-V222 HydrophobicContact CE2-CB 4.46Å; Y209-V222 HydrophobicContact CE2-CG2 3.73Å
223	M	95.5	Very high	89.2	Confident	10 Å²	10	32.8 Å²	32.8	5%	0.049	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.5	170.1	-176.7	54.4	175.3	-82.1	0	0	111.5	I171 P203 K204 F205	I171-M223 HydrophobicContact CB-CG 4.31Å; I171-M223 PolarHBondContact N-O 2.85Å; I171-M223 PolarHBondContact O-N 3.49Å; P203-M223 HydrophobicContact CB-CE 4Å; P203-M223 HydrophobicContact CB-SD 4.48Å; K204-M223 WeakPolarHBondContact O-CA 3.4Å; K204-M223 VanDerWaalsContact O-CB 3.26Å; K204-M223 WeakPolarHBondContact O-CB 3.45Å; F205-M223 HydrophobicContact CD1-CB 4.27Å
224	N	91	Very high	89.6	Confident	4 Å²	4	34 Å²	34	2%	0.021	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-64.9	146.7	176.9	72.1	-74.9	0	0	0	112.7	K204 Y206 L226	K204-N224 HydrophobicContact CB-CB 4.04Å; K204-N224 WeakPolarHBondContact CB-OD1 3.3Å; K204-N224 HydrophobicContact CD-CB 4Å; K204-N224 HydrophobicContact CG-CB 4.33Å; K204-N224 WeakPolarHBondContact CG-OD1 3.24Å; K204-N224 PolarHBondContact N-OD1 3.32Å; K204-N224 PolarHBondContact O-N 3.07Å; Y206-N224 HydrophobicContact CE2-CB 3.92Å; Y206-N224 VanDerWaalsContact CE2-N 3.31Å; Y206-N224 WeakPolarHBondContact OH-CB 3.43Å; N224-L226 VanDerWaalsContact ND2-CD2 3.28Å; N224-L226 WeakPolarHBondContact ND2-CD2 3.37Å
225	N	89.8	Confident	90.2	Very high	10 Å²	10	33.4 Å²	33.4	5%	0.053	18%	0.18	C	C	.	.			trans	-68.9	140.9	152.9	-166.2	-3.8	0	0	0	109.6	D168 E169 I171 L227	D168-N225 WeakPolarHBondContact O-CB 3.48Å; D168-N225 PolarHBondContact O-ND2 2.86Å; D168-N225 PolarHBondContact OD2-ND2 2.84Å; E169-N225 PolarHBondContact O-N 3.29Å; I171-N225 HydrophobicContact CD1-CB 4.18Å; I171-N225 HydrophobicContact CG1-CB 4.03Å; N225-L227 PolarHBondContact OD1-N 2.94Å; N225-L227 PolarHBondContact OD1-O 2.8Å
226	L	87.5	Confident	90.8	Very high	15 Å²	15	30.7 Å²	30.7	8%	0.079	15%	0.149	C	C	.	.	S	Bend	trans	-99.9	-25	174.5	-75.9	169.6	0	0	0	112.2	N224 L305 I392	N224-L226 VanDerWaalsContact ND2-CD2 3.28Å; N224-L226 WeakPolarHBondContact ND2-CD2 3.37Å; L226-L305 HydrophobicContact CB-CD2 4.38Å; L226-L305 HydrophobicContact CD1-CB 4.47Å; L226-L305 HydrophobicContact CD1-CD2 4.12Å; L226-I392 HydrophobicContact CD1-CG2 3.7Å
227	L	88	Confident	91.1	Very high	8 Å²	8	25.7 Å²	25.7	4%	0.042	13%	0.128	C	C	.	.	S	Bend	trans	-134.3	77.3	-169.2	-62.4	-176.5	0	0	0	109.5	N225 M233 L305 I592	N225-L227 PolarHBondContact OD1-N 2.94Å; N225-L227 PolarHBondContact OD1-O 2.8Å; L227-M233 HydrophobicContact CB-CG 4.47Å; L227-M233 HydrophobicContact CD2-CG 4.4Å; L227-M233 HydrophobicContact CD2-SD 3.99Å; L227-L305 HydrophobicContact CD1-CD1 4.14Å; L227-L305 HydrophobicContact CD1-CD2 3.89Å; L227-L305 HydrophobicContact CD1-CG 3.87Å; L227-L305 HydrophobicContact CG-CD2 4.29Å; L227-I592 HydrophobicContact CB-CD1 3.54Å; L227-I592 HydrophobicContact CB-CG1 4.38Å; L227-I592 HydrophobicContact CD1-CD1 3.81Å; L227-I592 HydrophobicContact CG-CD1 4.32Å
228	P	75.8	Confident	91.2	Very high	1 Å²	1	23.1 Å²	23.1	1%	0.006	11%	0.114	C	C	.	.			trans	-75.5	141.8	-171.4	35.1	-41.2	0	0	0	112.6	D168 I230 I231 Y349	D168-P228 VanDerWaalsContact OD2-CA 3.32Å; D168-P228 WeakPolarHBondContact OD2-CA 3.38Å; P228-I230 HydrophobicContact CB-CG2 4.16Å; P228-I230 HydrophobicContact CG-CG2 4.33Å; P228-I230 PolarHBondContact O-N 2.8Å; P228-I230 VanDerWaalsContact O-N 3.15Å; P228-I231 HydrophobicContact CG-CB 4.48Å; P228-I231 HydrophobicContact CG-CD1 3.68Å; P228-I231 HydrophobicContact CG-CG1 3.98Å; P228-I231 PolarHBondContact O-N 3.1Å; P228-I231 VanDerWaalsContact O-N 3.13Å; P228-Y349 HydrophobicContact CB-CD1 3.64Å; P228-Y349 HydrophobicContact CB-CD2 4.19Å; P228-Y349 HydrophobicContact CB-CE1 3.65Å; P228-Y349 HydrophobicContact CB-CE2 4.26Å; P228-Y349 HydrophobicContact CB-CG 3.94Å; P228-Y349 HydrophobicContact CG-CD1 3.75Å; P228-Y349 HydrophobicContact CG-CD2 3.68Å; P228-Y349 HydrophobicContact CG-CE1 4.16Å; P228-Y349 HydrophobicContact CG-CE2 4.16Å; P228-Y349 HydrophobicContact CG-CG 3.5Å; P228-Y349 VanDerWaalsContact CG-CG 3.5Å
229	R	79.9	Confident	91.3	Very high	95 Å²	95	23.1 Å²	23.1	36%	0.358	11%	0.114	S	C	.	.	T	Hydrogen-bonded Turn	trans	-54.9	-31.8	178.2	-68.5	168.7	-170.5	-106.5	23.5	114.5	D168 I231 P593 T595	D168-R229 WeakPolarHBondContact OD1-CD 3.35Å; D168-R229 WeakPolarHBondContact OD1-CG 3.27Å; D168-R229 IonicContact OD1-CZ 2.73Å; D168-R229 IonicContact OD1-NE 2.74Å; D168-R229 PolarHBondContact OD1-NE 3.28Å; D168-R229 WeakPolarHBondContact OD2-CG 3.37Å; D168-R229 PolarHBondContact OD2-N 2.74Å; R229-I231 PolarHBondContact O-N 3.21Å; R229-I231 VanDerWaalsContact O-N 3.11Å; R229-P593 VanDerWaalsContact NH2-CG 3.28Å; R229-T595 PolarHBondContact NH1-OG1 3.33Å
230	I	80.1	Confident	91.3	Very high	130 Å²	130	22.3 Å²	22.3	67%	0.667	11%	0.111	S	C	*	.	T	Hydrogen-bonded Turn	trans	-63.5	-15.1	-177.8	-162.4	171.5	0	0	0	112.6	P228 Y349	P228-I230 HydrophobicContact CB-CG2 4.16Å; P228-I230 HydrophobicContact CG-CG2 4.33Å; P228-I230 PolarHBondContact O-N 2.8Å; P228-I230 VanDerWaalsContact O-N 3.15Å; I230-Y349 HydrophobicContact CG2-CE2 4.1Å
231	I	84.1	Confident	91.1	Very high	7 Å²	7	22.8 Å²	22.8	4%	0.036	12%	0.116	C	C	.	.	S	Bend	trans	-119	110.5	178.5	-44.6	174	0	0	0	107.7	P228 R229 M233 H309 Y349 V372 Y388	P228-I231 HydrophobicContact CG-CB 4.48Å; P228-I231 HydrophobicContact CG-CD1 3.68Å; P228-I231 HydrophobicContact CG-CG1 3.98Å; P228-I231 PolarHBondContact O-N 3.1Å; P228-I231 VanDerWaalsContact O-N 3.13Å; R229-I231 PolarHBondContact O-N 3.21Å; R229-I231 VanDerWaalsContact O-N 3.11Å; I231-M233 HydrophobicContact CB-CE 3.68Å; I231-M233 HydrophobicContact CG2-CE 3.49Å; I231-M233 VanDerWaalsContact CG2-CE 3.49Å; I231-M233 VanDerWaalsContact O-CE 3.23Å; I231-M233 WeakPolarHBondContact O-CE 3.29Å; I231-M233 PolarHBondContact O-N 3.01Å; I231-M233 VanDerWaalsContact O-N 3.08Å; I231-H309 HydrophobicContact CG2-CB 4.06Å; I231-Y349 HydrophobicContact CD1-CD2 4.35Å; I231-V372 HydrophobicContact CD1-CG1 3.72Å; I231-V372 HydrophobicContact CG1-CG1 3.93Å; I231-V372 HydrophobicContact CG2-CG1 4.18Å; I231-Y388 HydrophobicContact CD1-CD1 4.44Å; I231-Y388 HydrophobicContact CD1-CE1 3.55Å; I231-Y388 HydrophobicContact CD1-CE2 4.42Å; I231-Y388 WeakPolarHBondContact CD1-OH 3.42Å; I231-Y388 HydrophobicContact CG2-CE2 4.08Å
232	P	89.2	Confident	90.7	Very high	57 Å²	57	24.3 Å²	24.3	37%	0.37	13%	0.127	S	C	.	.			trans	-67	115.5	-177.1	23.7	-30.8	0	0	0	110.5	H234 H309	P232-H234 PolarHBondContact O-CE1 3.09Å; P232-H234 VanDerWaalsContact O-CE1 3.25Å; P232-H234 PolarHBondContact O-ND1 2.84Å; P232-H309 PolarHBondContact O-ND1 3.28Å
233	M	92.2	Very high	90.1	Very high	20 Å²	20	28.5 Å²	28.5	10%	0.099	15%	0.153	C	C	.	.			trans	-82.7	117.9	173	-64.7	-60.1	117.2	0	0	109	L227 I231 K236 V257 H309 Y388	L227-M233 HydrophobicContact CB-CG 4.47Å; L227-M233 HydrophobicContact CD2-CG 4.4Å; L227-M233 HydrophobicContact CD2-SD 3.99Å; I231-M233 HydrophobicContact CB-CE 3.68Å; I231-M233 HydrophobicContact CG2-CE 3.49Å; I231-M233 VanDerWaalsContact CG2-CE 3.49Å; I231-M233 VanDerWaalsContact O-CE 3.23Å; I231-M233 WeakPolarHBondContact O-CE 3.29Å; I231-M233 PolarHBondContact O-N 3.01Å; I231-M233 VanDerWaalsContact O-N 3.08Å; M233-K236 HydrophobicContact CB-CG 4.22Å; M233-V257 WeakPolarHBondContact O-CG1 3.33Å; M233-H309 HydrophobicContact CE-CB 4.15Å; M233-Y388 HydrophobicContact CE-CD2 3.63Å; M233-Y388 HydrophobicContact CE-CE2 3.94Å; M233-Y388 HydrophobicContact CE-CG 4.24Å; M233-Y388 HydrophobicContact SD-CD2 4.07Å
234	H	94.1	Very high	89.5	Confident	33 Å²	33	36.7 Å²	36.7	15%	0.153	18%	0.184	C	C	.	.	S	Bend	trans	-91.7	-29.2	-176.9	-55.1	74.7	0	0	0	111.5	P232 I308 H309 N310	P232-H234 PolarHBondContact O-CE1 3.09Å; P232-H234 VanDerWaalsContact O-CE1 3.25Å; P232-H234 PolarHBondContact O-ND1 2.84Å; H234-I308 PolarHBondContact N-O 3.03Å; H234-H309 AromaticContact CE1-CE1 3.85Å; H234-H309 AromaticContact CE1-ND1 3.49Å; H234-H309 PolarHBondContact CE1-ND1 3.44Å; H234-H309 AromaticContact ND1-ND1 3.89Å; H234-N310 PolarHBondContact CE1-N 2.8Å; H234-N310 PolarHBondContact CE1-O 2.64Å; H234-N310 PolarHBondContact ND1-N 3.46Å; H234-N310 VanDerWaalsContact ND1-N 3.15Å
235	L	95	Very high	89.3	Confident	58 Å²	58	41.4 Å²	41.4	30%	0.304	20%	0.204	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.4	149.5	170.1	-61	170.6	0	0	0	109.4	Y237 Y260 M269 G307 I308	L235-Y237 HydrophobicContact CB-CE2 3.84Å; L235-Y237 HydrophobicContact CD1-CE2 4.26Å; L235-Y260 HydrophobicContact CD2-CE2 4.32Å; L235-M269 HydrophobicContact CD1-CE 4.35Å; L235-G307 WeakPolarHBondContact O-CA 3.45Å; L235-I308 HydrophobicContact CB-CB 4.25Å; L235-I308 HydrophobicContact CB-CD1 4.33Å; L235-I308 HydrophobicContact CD1-CD1 4.35Å; L235-I308 PolarHBondContact N-O 3.47Å; L235-I308 PolarHBondContact O-N 2.91Å
236	K	95.7	Very high	89.4	Confident	10 Å²	10	41.7 Å²	41.7	4%	0.043	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.1	141.5	172.2	-55.2	173.9	-63.1	169.3	0	110.1	M233 V257 P258 T259 Y260 M306 I592	M233-K236 HydrophobicContact CB-CG 4.22Å; K236-V257 HydrophobicContact CD-CG1 4.17Å; K236-V257 WeakPolarHBondContact CE-O 3.33Å; K236-V257 HydrophobicContact CG-CG1 4.15Å; K236-V257 PolarHBondContact NZ-O 3.44Å; K236-P258 WeakPolarHBondContact CE-O 3.27Å; K236-T259 HydrophobicContact CB-CG2 4.19Å; K236-T259 VanDerWaalsContact CE-OG1 3.29Å; K236-T259 WeakPolarHBondContact CE-OG1 3.47Å; K236-T259 PolarHBondContact NZ-OG1 3.41Å; K236-Y260 PolarHBondContact O-N 2.73Å; K236-M306 CarbonylContact C-O 3.6Å; K236-M306 VanDerWaalsContact CA-O 3.24Å; K236-M306 WeakPolarHBondContact CA-O 3.37Å; K236-I592 HydrophobicContact CD-CD1 3.6Å; K236-I592 HydrophobicContact CD-CG1 4.36Å
237	Y	96.4	Very high	89.7	Confident	2 Å²	2	46.1 Å²	46.1	1%	0.008	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.9	140.9	177.3	-64.7	-88.6	0	0	0	111.6	L235 L239 Y260 F265 M269 M306 I308	L235-Y237 HydrophobicContact CB-CE2 3.84Å; L235-Y237 HydrophobicContact CD1-CE2 4.26Å; Y237-L239 HydrophobicContact CD1-CD2 4.46Å; Y237-Y260 CarbonylContact C-O 3.48Å; Y237-Y260 WeakPolarHBondContact CA-O 3.08Å; Y237-Y260 VanDerWaalsContact CD1-CB 3.41Å; Y237-Y260 HydrophobicContact CD1-CG 4.48Å; Y237-Y260 HydrophobicContact CE1-CD2 4.18Å; Y237-Y260 HydrophobicContact CE1-CG 4.05Å; Y237-F265 HydrophobicContact CD1-CB 3.72Å; Y237-F265 AromaticContact CD1-CD2 3.81Å; Y237-F265 HydrophobicContact CD1-CD2 3.81Å; Y237-F265 HydrophobicContact CD1-CG 4.27Å; Y237-F265 HydrophobicContact CD2-CD2 4.02Å; Y237-F265 HydrophobicContact CE1-CB 3.78Å; Y237-F265 AromaticContact CE1-CD2 3.97Å; Y237-F265 HydrophobicContact CE1-CD2 3.97Å; Y237-F265 HydrophobicContact CE1-CG 4.34Å; Y237-F265 HydrophobicContact CE2-CD2 4.18Å; Y237-F265 AromaticContact CG-CD2 3.86Å; Y237-F265 HydrophobicContact CG-CD2 3.86Å; Y237-M269 HydrophobicContact CD2-CE 4.21Å; Y237-M269 HydrophobicContact CE2-CE 3.34Å; Y237-M306 PolarHBondContact N-O 3.07Å; Y237-M306 PolarHBondContact O-N 3.36Å; Y237-I308 HydrophobicContact CD2-CD1 4.31Å; Y237-I308 HydrophobicContact CE2-CD1 4.12Å
238	D	95.9	Very high	89.9	Confident	0 Å²	0	46.3 Å²	46.3	0%	0	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.7	118.4	165.4	175.3	-95	0	0	0	107.5	R246 T259 Y260 K261 S303 I392 S587	D238-R246 VanDerWaalsContact C-NH2 3.28Å; D238-R246 PolarHBondContact O-NH2 3.41Å; D238-R246 IonicContact OD1-CZ 3.4Å; D238-R246 IonicContact OD1-NH1 2.74Å; D238-R246 PolarHBondContact OD1-NH1 2.75Å; D238-R246 IonicContact OD1-NH2 3.63Å; D238-R246 PolarHBondContact OD1-NH2 2.85Å; D238-T259 HydrophobicContact CB-CG2 4.12Å; D238-Y260 PolarHBondContact N-O 2.74Å; D238-K261 WeakPolarHBondContact O-CA 3.22Å; D238-S303 PolarHBondContact OD1-OG 3.17Å; D238-S303 WeakPolarHBondContact OD2-CB 3.38Å; D238-S303 PolarHBondContact OD2-OG 3.29Å; D238-I392 WeakPolarHBondContact OD2-CD1 3.34Å; D238-S587 WeakPolarHBondContact OD2-CB 3.39Å
239	L	97.2	Very high	90.7	Very high	0 Å²	0	49.1 Å²	49.1	0%	0	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.1	126	-168.6	-56.8	174.7	0	0	0	110.9	Y237 D262 F265 S303 L304 M306 F433 M434 V438	Y237-L239 HydrophobicContact CD1-CD2 4.46Å; L239-D262 HydrophobicContact CD2-CB 4.41Å; L239-F265 HydrophobicContact CD1-CD2 4.2Å; L239-F265 HydrophobicContact CD2-CB 3.93Å; L239-F265 HydrophobicContact CD2-CD2 4.41Å; L239-F265 HydrophobicContact CD2-CG 4.29Å; L239-S303 CarbonylContact O-C 3.53Å; L239-S303 WeakPolarHBondContact O-CA 3.41Å; L239-S303 WeakPolarHBondContact O-CB 3.16Å; L239-L304 PolarHBondContact N-O 3.37Å; L239-L304 PolarHBondContact O-N 3.2Å; L239-M306 HydrophobicContact CD1-CE 4.14Å; L239-F433 HydrophobicContact CB-CE1 4.26Å; L239-F433 HydrophobicContact CD2-CE1 4.24Å; L239-M434 HydrophobicContact CB-CE 3.68Å; L239-M434 HydrophobicContact CB-SD 4.09Å; L239-M434 HydrophobicContact CD1-SD 4.4Å; L239-M434 WeakPolarHBondContact O-CE 3.35Å; L239-V438 HydrophobicContact CD1-CG1 3.86Å; L239-V438 HydrophobicContact CD1-CG2 3.87Å
240	K	95.4	Very high	91.2	Very high	7 Å²	7	49.3 Å²	49.3	3%	0.03	26%	0.256	C	S	.	.			trans	-118.7	-2	179.8	-70.1	-170.2	-174.5	-167.4	0	113.1	S242 D262 D301 S303 Y426 R429 V586	K240-S242 VanDerWaalsContact C-N 3.27Å; K240-S242 PolarHBondContact O-N 3.23Å; K240-D262 PolarHBondContact N-OD1 3.34Å; K240-D262 PolarHBondContact N-OD2 2.93Å; K240-D301 WeakPolarHBondContact CE-O 3.19Å; K240-D301 PolarHBondContact NZ-O 3.1Å; K240-S303 WeakPolarHBondContact CE-OG 3.26Å; K240-S303 WeakPolarHBondContact CG-OG 3.3Å; K240-Y426 WeakPolarHBondContact CB-OH 3.36Å; K240-R429 PolarHBondContact O-NH2 2.88Å; K240-V586 PolarHBondContact NZ-O 2.76Å
241	G	93.1	Very high	91.6	Very high	11 Å²	11	50.6 Å²	50.6	11%	0.113	26%	0.257	C	S	.	.	S	Bend	trans	66.5	26.7	-172.6	0	0	0	0	0	113.4	D262 R429 F433	G241-D262 WeakPolarHBondContact CA-OD1 3.45Å; G241-D262 PolarHBondContact N-OD1 3.19Å; G241-R429 WeakPolarHBondContact O-CD 3.46Å; G241-R429 VanDerWaalsContact O-CG 3.28Å; G241-R429 WeakPolarHBondContact O-CG 3.41Å; G241-R429 PolarHBondContact O-NE 3.36Å; G241-F433 VanDerWaalsContact CA-CD1 3.49Å
242	S	89.6	Confident	91.9	Very high	33 Å²	33	51.2 Å²	51.2	23%	0.231	26%	0.26	C	S	.	.			trans	-127.3	167.1	179.7	60.4	0	0	0	0	110.9	K240 R246 D262	K240-S242 VanDerWaalsContact C-N 3.27Å; K240-S242 PolarHBondContact O-N 3.23Å; S242-R246 WeakPolarHBondContact O-CB 3.47Å; S242-R246 VanDerWaalsContact O-CG 3.27Å; S242-R246 WeakPolarHBondContact O-CG 3.4Å; S242-R246 WeakPolarHBondContact OG-CG 3.45Å; S242-D262 VanDerWaalsContact O-CB 3.27Å; S242-D262 WeakPolarHBondContact O-CB 3.19Å
243	T	86.6	Confident	92	Very high	88 Å²	88	56 Å²	56	54%	0.54	27%	0.271	S	S	.	.			trans	-113.8	-37.7	-174.5	53.2	0	0	0	0	113.2	K245 R246 L263	T243-K245 PolarHBondContact O-N 3.04Å; T243-R246 PolarHBondContact O-N 3.01Å; T243-L263 HydrophobicContact CG2-CD2 3.85Å; T243-L263 WeakPolarHBondContact O-CD1 3.1Å
244	Y	83.5	Confident	92	Very high	182 Å²	182	62.2 Å²	62.2	71%	0.714	30%	0.299	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.2	121.1	-176.2	-176.2	-98.3	0	0	0	112.6	R246	Y244-R246 WeakPolarHBondContact O-CG 3.46Å; Y244-R246 PolarHBondContact O-N 2.78Å; Y244-R246 VanDerWaalsContact O-N 3.15Å
245	K	87.1	Confident	91.8	Very high	102 Å²	102	62.2 Å²	62.2	44%	0.443	30%	0.299	S	S	.	.	T	Hydrogen-bonded Turn	trans	54.2	21.8	-172.8	-66.2	-176.6	175.9	-174.8	0	114.9	T243 R247 E584	T243-K245 PolarHBondContact O-N 3.04Å; K245-R247 VanDerWaalsContact C-N 3.33Å; K245-R247 PolarHBondContact O-N 2.94Å; K245-E584 WeakPolarHBondContact CD-OE1 3.45Å; K245-E584 WeakPolarHBondContact CE-OE1 3.13Å; K245-E584 IonicContact NZ-OE1 2.81Å; K245-E584 PolarHBondContact NZ-OE1 3.41Å
246	R	91.8	Very high	91.5	Very high	17 Å²	17	64.2 Å²	64.2	6%	0.064	32%	0.324	C	S	.	.			trans	-94.4	51.1	179.7	-58.3	-57.3	-65.1	170	0.9	113.3	D238 S242 T243 Y244 K261 D262 L263	D238-R246 VanDerWaalsContact C-NH2 3.28Å; D238-R246 PolarHBondContact O-NH2 3.41Å; D238-R246 IonicContact OD1-CZ 3.4Å; D238-R246 IonicContact OD1-NH1 2.74Å; D238-R246 PolarHBondContact OD1-NH1 2.75Å; D238-R246 IonicContact OD1-NH2 3.63Å; D238-R246 PolarHBondContact OD1-NH2 2.85Å; S242-R246 WeakPolarHBondContact O-CB 3.47Å; S242-R246 VanDerWaalsContact O-CG 3.27Å; S242-R246 WeakPolarHBondContact O-CG 3.4Å; S242-R246 WeakPolarHBondContact OG-CG 3.45Å; T243-R246 PolarHBondContact O-N 3.01Å; Y244-R246 WeakPolarHBondContact O-CG 3.46Å; Y244-R246 PolarHBondContact O-N 2.78Å; Y244-R246 VanDerWaalsContact O-N 3.15Å; R246-K261 VanDerWaalsContact C-CB 3.42Å; R246-K261 HydrophobicContact CB-CB 4.36Å; R246-K261 CarbonylContact O-C 3.58Å; R246-K261 VanDerWaalsContact O-CB 3.29Å; R246-K261 WeakPolarHBondContact O-CB 3.08Å; R246-D262 HydrophobicContact CB-CB 3.96Å; R246-D262 IonicContact CZ-OD2 3.6Å; R246-D262 IonicContact NE-OD2 2.69Å; R246-D262 PolarHBondContact NE-OD2 2.84Å; R246-D262 IonicContact NH2-OD2 3.18Å; R246-D262 PolarHBondContact NH2-OD2 3.31Å; R246-D262 PolarHBondContact O-N 3.48Å; R246-L263 WeakPolarHBondContact O-CB 3.46Å; R246-L263 PolarHBondContact O-N 3.47Å
247	R	93.8	Very high	91.1	Very high	108 Å²	108	66.4 Å²	66.4	41%	0.408	34%	0.338	S	S	.	.	S	Bend	trans	-123.8	153.9	162.8	-69.9	-167	172.7	-87.5	10.2	110.7	K245 K261 L263 D264 Q267	K245-R247 VanDerWaalsContact C-N 3.33Å; K245-R247 PolarHBondContact O-N 2.94Å; R247-K261 WeakPolarHBondContact O-CD 3.28Å; R247-L263 HydrophobicContact CG-CB 3.62Å; R247-L263 HydrophobicContact CG-CD1 4.04Å; R247-L263 HydrophobicContact CG-CG 4.46Å; R247-L263 PolarHBondContact NH1-O 2.92Å; R247-D264 WeakPolarHBondContact CA-OD2 3.34Å; R247-D264 WeakPolarHBondContact CB-OD1 3.26Å; R247-D264 VanDerWaalsContact CG-OD1 3.27Å; R247-D264 WeakPolarHBondContact CG-OD1 3.12Å; R247-D264 IonicContact CZ-OD1 2.69Å; R247-D264 IonicContact NH1-OD1 3.52Å; R247-D264 PolarHBondContact NH1-OD1 3.06Å; R247-Q267 VanDerWaalsContact CZ-OE1 3.31Å
248	A	92.5	Very high	91	Very high	12 Å²	12	66.8 Å²	66.8	10%	0.099	34%	0.34	C	S	.	.			trans	-59.8	141.4	167.5	0	0	0	0	0	110.9	E252 R253 Y260 D264	A248-E252 HydrophobicContact CB-CB 4.33Å; A248-E252 HydrophobicContact CB-CG 4.37Å; A248-R253 HydrophobicContact CB-CG 3.62Å; A248-Y260 HydrophobicContact CB-CD1 4.17Å; A248-D264 PolarHBondContact N-OD2 2.94Å
249	S	90.7	Very high	90.9	Very high	60 Å²	60	67 Å²	67	42%	0.42	34%	0.341	S	S	.	.			trans	-72	158.7	172.9	66.6	0	0	0	0	110.2	K251 E252 R253	S249-K251 VanDerWaalsContact C-N 3.27Å; S249-K251 PolarHBondContact O-N 3.23Å; S249-E252 PolarHBondContact O-N 2.93Å; S249-E252 WeakPolarHBondContact OG-CB 3.44Å; S249-E252 PolarHBondContact OG-N 2.93Å; S249-R253 WeakPolarHBondContact O-CG 3.46Å; S249-R253 PolarHBondContact O-N 3.3Å; S249-R253 VanDerWaalsContact O-N 3.1Å
250	P	91.4	Very high	90.8	Very high	99 Å²	99	69 Å²	69	64%	0.643	35%	0.35	S	S	*	.	H	α-helix	trans	-51.6	-47.7	175.5	-27.8	35.9	0	0	0	112.1	E252 R253 E254	P250-E252 VanDerWaalsContact C-N 3.3Å; P250-E252 PolarHBondContact O-N 3.46Å; P250-R253 CarbonylContact O-C 3.55Å; P250-R253 WeakPolarHBondContact O-CA 3.14Å; P250-R253 WeakPolarHBondContact O-CB 3.46Å; P250-R253 PolarHBondContact O-N 2.72Å; P250-E254 WeakPolarHBondContact O-CG 3.37Å; P250-E254 PolarHBondContact O-N 2.89Å; P250-E254 VanDerWaalsContact O-N 3.08Å
251	K	88.9	Confident	90.9	Very high	157 Å²	157	71 Å²	71	68%	0.683	36%	0.358	S	S	*	.	H	α-helix	trans	-58.2	-34.8	175.6	-167.7	-170.3	174.3	-165.7	0	114.2	S249 R253	S249-K251 VanDerWaalsContact C-N 3.27Å; S249-K251 PolarHBondContact O-N 3.23Å; K251-R253 VanDerWaalsContact C-N 3.34Å
252	E	89.8	Confident	91	Very high	20 Å²	20	70.5 Å²	70.5	9%	0.093	35%	0.353	C	S	.	.	H	α-helix	trans	-72.4	-32.2	175.9	-172.2	59.6	-152.3	0	0	111.4	A248 S249 P250 E254 K255 P258 T259	A248-E252 HydrophobicContact CB-CB 4.33Å; A248-E252 HydrophobicContact CB-CG 4.37Å; S249-E252 PolarHBondContact O-N 2.93Å; S249-E252 WeakPolarHBondContact OG-CB 3.44Å; S249-E252 PolarHBondContact OG-N 2.93Å; P250-E252 VanDerWaalsContact C-N 3.3Å; P250-E252 PolarHBondContact O-N 3.46Å; E252-E254 VanDerWaalsContact C-N 3.33Å; E252-K255 WeakPolarHBondContact O-CB 3.47Å; E252-K255 WeakPolarHBondContact O-CG 3.25Å; E252-K255 PolarHBondContact O-N 2.79Å; E252-K255 WeakPolarHBondContact OE1-CD 3.49Å; E252-K255 IonicContact OE1-NZ 2.78Å; E252-K255 PolarHBondContact OE1-NZ 3.08Å; E252-K255 VanDerWaalsContact OE2-CE 3.25Å; E252-K255 WeakPolarHBondContact OE2-CE 3.31Å; E252-K255 IonicContact OE2-NZ 2.73Å; E252-K255 PolarHBondContact OE2-NZ 2.82Å; E252-P258 WeakPolarHBondContact O-CB 3.47Å; E252-P258 WeakPolarHBondContact O-CG 3.35Å; E252-T259 PolarHBondContact OE1-N 2.97Å
253	R	92.3	Very high	91.3	Very high	158 Å²	158	71.3 Å²	71.3	60%	0.596	35%	0.354	S	S	*	.	H	α-helix	trans	-78.6	-13.7	177.9	-61.1	177.7	74.1	-151	2.8	113.9	A248 S249 P250 K251 K255 Y260	A248-R253 HydrophobicContact CB-CG 3.62Å; S249-R253 WeakPolarHBondContact O-CG 3.46Å; S249-R253 PolarHBondContact O-N 3.3Å; S249-R253 VanDerWaalsContact O-N 3.1Å; P250-R253 CarbonylContact O-C 3.55Å; P250-R253 WeakPolarHBondContact O-CA 3.14Å; P250-R253 WeakPolarHBondContact O-CB 3.46Å; P250-R253 PolarHBondContact O-N 2.72Å; K251-R253 VanDerWaalsContact C-N 3.34Å; R253-K255 VanDerWaalsContact C-N 3.28Å; R253-Y260 HydrophobicContact CG-CE1 4.37Å
254	E	91.9	Very high	91.8	Very high	149 Å²	149	67.5 Å²	67.5	70%	0.696	33%	0.331	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75.7	-14.5	172	-72.3	155.7	-152.2	0	0	112.8	P250 E252	P250-E254 WeakPolarHBondContact O-CG 3.37Å; P250-E254 PolarHBondContact O-N 2.89Å; P250-E254 VanDerWaalsContact O-N 3.08Å; E252-E254 VanDerWaalsContact C-N 3.33Å
255	K	88.7	Confident	92.5	Very high	34 Å²	34	58.8 Å²	58.8	15%	0.148	30%	0.297	C	S	.	.	S	Bend	trans	-73.7	153	-179.4	-59.1	-171.9	167.3	165.1	0	112.6	E252 R253 V257 P258 E594	E252-K255 WeakPolarHBondContact O-CB 3.47Å; E252-K255 WeakPolarHBondContact O-CG 3.25Å; E252-K255 PolarHBondContact O-N 2.79Å; E252-K255 WeakPolarHBondContact OE1-CD 3.49Å; E252-K255 IonicContact OE1-NZ 2.78Å; E252-K255 PolarHBondContact OE1-NZ 3.08Å; E252-K255 VanDerWaalsContact OE2-CE 3.25Å; E252-K255 WeakPolarHBondContact OE2-CE 3.31Å; E252-K255 IonicContact OE2-NZ 2.73Å; E252-K255 PolarHBondContact OE2-NZ 2.82Å; R253-K255 VanDerWaalsContact C-N 3.28Å; K255-V257 VanDerWaalsContact C-N 3.28Å; K255-V257 PolarHBondContact O-N 3.13Å; K255-P258 WeakPolarHBondContact O-CD 3.39Å; K255-P258 WeakPolarHBondContact O-CG 3.16Å; K255-E594 WeakPolarHBondContact CD-OE1 3.4Å; K255-E594 WeakPolarHBondContact CE-OE1 3.19Å; K255-E594 WeakPolarHBondContact CG-OE1 3.35Å
256	A	88.6	Confident	92.9	Very high	100 Å²	100	57.2 Å²	57.2	83%	0.826	29%	0.292	S	S	*	.	S	Bend	trans	-59.5	-35.6	176.4	0	0	0	0	0	113.5
257	V	88.7	Confident	93	Very high	55 Å²	55	61.9 Å²	61.9	33%	0.333	32%	0.315	S	S	.	.	S	Bend	trans	-133.1	97.2	166.7	-165.7	0	0	0	0	108.3	M233 K236 K255	M233-V257 WeakPolarHBondContact O-CG1 3.33Å; K236-V257 HydrophobicContact CD-CG1 4.17Å; K236-V257 WeakPolarHBondContact CE-O 3.33Å; K236-V257 HydrophobicContact CG-CG1 4.15Å; K236-V257 PolarHBondContact NZ-O 3.44Å; K255-V257 VanDerWaalsContact C-N 3.28Å; K255-V257 PolarHBondContact O-N 3.13Å
258	P	92.7	Very high	93	Very high	10 Å²	10	60.7 Å²	60.7	7%	0.065	32%	0.316	C	S	.	.			trans	-64	152.7	177	-26.3	38.6	0	0	0	112.7	K236 E252 K255 Y260	K236-P258 WeakPolarHBondContact CE-O 3.27Å; E252-P258 WeakPolarHBondContact O-CB 3.47Å; E252-P258 WeakPolarHBondContact O-CG 3.35Å; K255-P258 WeakPolarHBondContact O-CD 3.39Å; K255-P258 WeakPolarHBondContact O-CG 3.16Å; P258-Y260 HydrophobicContact CB-CD1 4.48Å; P258-Y260 HydrophobicContact CB-CD2 4.42Å; P258-Y260 HydrophobicContact CB-CE1 4.04Å; P258-Y260 HydrophobicContact CB-CE2 3.98Å; P258-Y260 HydrophobicContact CG-CE1 4.45Å; P258-Y260 HydrophobicContact CG-CE2 4.35Å
259	T	93.8	Very high	93	Very high	4 Å²	4	61.5 Å²	61.5	3%	0.025	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97	104.4	160.5	-51.5	0	0	0	0	110.3	K236 D238 E252 S589	K236-T259 HydrophobicContact CB-CG2 4.19Å; K236-T259 VanDerWaalsContact CE-OG1 3.29Å; K236-T259 WeakPolarHBondContact CE-OG1 3.47Å; K236-T259 PolarHBondContact NZ-OG1 3.41Å; D238-T259 HydrophobicContact CB-CG2 4.12Å; E252-T259 PolarHBondContact OE1-N 2.97Å; T259-S589 WeakPolarHBondContact CB-O 3.47Å; T259-S589 PolarHBondContact OG1-O 3.3Å
260	Y	96.4	Very high	93.1	Very high	44 Å²	44	62.4 Å²	62.4	17%	0.173	32%	0.323	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.3	168.4	-179.2	-65.8	-70.3	0	0	0	113	L235 K236 Y237 D238 A248 R253 P258 D264	L235-Y260 HydrophobicContact CD2-CE2 4.32Å; K236-Y260 PolarHBondContact O-N 2.73Å; Y237-Y260 CarbonylContact C-O 3.48Å; Y237-Y260 WeakPolarHBondContact CA-O 3.08Å; Y237-Y260 VanDerWaalsContact CD1-CB 3.41Å; Y237-Y260 HydrophobicContact CD1-CG 4.48Å; Y237-Y260 HydrophobicContact CE1-CD2 4.18Å; Y237-Y260 HydrophobicContact CE1-CG 4.05Å; D238-Y260 PolarHBondContact N-O 2.74Å; A248-Y260 HydrophobicContact CB-CD1 4.17Å; R253-Y260 HydrophobicContact CG-CE1 4.37Å; P258-Y260 HydrophobicContact CB-CD1 4.48Å; P258-Y260 HydrophobicContact CB-CD2 4.42Å; P258-Y260 HydrophobicContact CB-CE1 4.04Å; P258-Y260 HydrophobicContact CB-CE2 3.98Å; P258-Y260 HydrophobicContact CG-CE1 4.45Å; P258-Y260 HydrophobicContact CG-CE2 4.35Å; Y260-D264 HydrophobicContact CD1-CB 4.07Å; Y260-D264 HydrophobicContact CG-CB 4.41Å
261	K	96.8	Very high	93.1	Very high	48 Å²	48	62.2 Å²	62.2	21%	0.209	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.6	179.9	178.6	-63.6	-176.2	-168.3	163.6	0	112.9	D238 R246 R247 L263 D264 F265	D238-K261 WeakPolarHBondContact O-CA 3.22Å; R246-K261 VanDerWaalsContact C-CB 3.42Å; R246-K261 HydrophobicContact CB-CB 4.36Å; R246-K261 CarbonylContact O-C 3.58Å; R246-K261 VanDerWaalsContact O-CB 3.29Å; R246-K261 WeakPolarHBondContact O-CB 3.08Å; R247-K261 WeakPolarHBondContact O-CD 3.28Å; K261-L263 PolarHBondContact O-N 3Å; K261-D264 PolarHBondContact N-OD2 3.1Å; K261-D264 WeakPolarHBondContact O-CA 3.43Å; K261-D264 WeakPolarHBondContact O-CB 3.39Å; K261-D264 PolarHBondContact O-N 3.28Å; K261-F265 PolarHBondContact O-N 3.01Å
262	D	96.4	Very high	93.4	Very high	0 Å²	0	54.9 Å²	54.9	0%	0	29%	0.286	C	S	.	.	H	α-helix	trans	-50.4	-45.4	-169.3	-51.1	-116.4	0	0	0	114.7	L239 K240 G241 S242 R246 D264 F265 I266 F433	L239-D262 HydrophobicContact CD2-CB 4.41Å; K240-D262 PolarHBondContact N-OD1 3.34Å; K240-D262 PolarHBondContact N-OD2 2.93Å; G241-D262 WeakPolarHBondContact CA-OD1 3.45Å; G241-D262 PolarHBondContact N-OD1 3.19Å; S242-D262 VanDerWaalsContact O-CB 3.27Å; S242-D262 WeakPolarHBondContact O-CB 3.19Å; R246-D262 HydrophobicContact CB-CB 3.96Å; R246-D262 IonicContact CZ-OD2 3.6Å; R246-D262 IonicContact NE-OD2 2.69Å; R246-D262 PolarHBondContact NE-OD2 2.84Å; R246-D262 IonicContact NH2-OD2 3.18Å; R246-D262 PolarHBondContact NH2-OD2 3.31Å; R246-D262 PolarHBondContact O-N 3.48Å; D262-D264 VanDerWaalsContact C-N 3.3Å; D262-D264 PolarHBondContact O-N 2.84Å; D262-F265 PolarHBondContact O-N 3.06Å; D262-I266 WeakPolarHBondContact O-CD1 2.9Å; D262-I266 WeakPolarHBondContact O-CG1 3.19Å; D262-I266 PolarHBondContact O-N 3.13Å; D262-F433 HydrophobicContact CB-CE1 4.29Å; D262-F433 HydrophobicContact CB-CZ 4.09Å; D262-F433 WeakPolarHBondContact OD1-CE1 3.41Å
263	L	95.7	Very high	93.6	Very high	50 Å²	50	54 Å²	54	26%	0.262	28%	0.282	S	S	.	.	H	α-helix	trans	-74.1	-21	179.8	-69.8	175.9	0	0	0	113.2	T243 R246 R247 K261 I266 Q267	T243-L263 HydrophobicContact CG2-CD2 3.85Å; T243-L263 WeakPolarHBondContact O-CD1 3.1Å; R246-L263 WeakPolarHBondContact O-CB 3.46Å; R246-L263 PolarHBondContact O-N 3.47Å; R247-L263 HydrophobicContact CG-CB 3.62Å; R247-L263 HydrophobicContact CG-CD1 4.04Å; R247-L263 HydrophobicContact CG-CG 4.46Å; R247-L263 PolarHBondContact NH1-O 2.92Å; K261-L263 PolarHBondContact O-N 3Å; L263-I266 HydrophobicContact CD2-CD1 4.34Å; L263-Q267 WeakPolarHBondContact O-CB 3.47Å; L263-Q267 PolarHBondContact O-N 3.48Å
264	D	96.8	Very high	93.8	Very high	8 Å²	8	48.2 Å²	48.2	4%	0.043	26%	0.263	C	S	.	.	H	α-helix	trans	-78.7	-44.3	171.6	-46.4	-45.3	0	0	0	109	R247 A248 Y260 K261 D262 I266 Q267 D268	R247-D264 WeakPolarHBondContact CA-OD2 3.34Å; R247-D264 WeakPolarHBondContact CB-OD1 3.26Å; R247-D264 VanDerWaalsContact CG-OD1 3.27Å; R247-D264 WeakPolarHBondContact CG-OD1 3.12Å; R247-D264 IonicContact CZ-OD1 2.69Å; R247-D264 IonicContact NH1-OD1 3.52Å; R247-D264 PolarHBondContact NH1-OD1 3.06Å; A248-D264 PolarHBondContact N-OD2 2.94Å; Y260-D264 HydrophobicContact CD1-CB 4.07Å; Y260-D264 HydrophobicContact CG-CB 4.41Å; K261-D264 PolarHBondContact N-OD2 3.1Å; K261-D264 WeakPolarHBondContact O-CA 3.43Å; K261-D264 WeakPolarHBondContact O-CB 3.39Å; K261-D264 PolarHBondContact O-N 3.28Å; D262-D264 VanDerWaalsContact C-N 3.3Å; D262-D264 PolarHBondContact O-N 2.84Å; D264-I266 PolarHBondContact O-N 3.38Å; D264-Q267 PolarHBondContact O-N 3.12Å; D264-Q267 VanDerWaalsContact O-N 3.08Å; D264-D268 WeakPolarHBondContact O-CB 3.13Å; D264-D268 VanDerWaalsContact O-CG 3.26Å; D264-D268 PolarHBondContact O-N 3.32Å
265	F	96.9	Very high	93.9	Very high	0 Å²	0	41.1 Å²	41.1	0%	0	23%	0.229	C	C	.	.	H	α-helix	trans	-55	-48.4	173.2	-174.4	-76.6	0	0	0	112.3	Y237 L239 K261 D262 Q267 D268 M269 L273 V438	Y237-F265 HydrophobicContact CD1-CB 3.72Å; Y237-F265 AromaticContact CD1-CD2 3.81Å; Y237-F265 HydrophobicContact CD1-CD2 3.81Å; Y237-F265 HydrophobicContact CD1-CG 4.27Å; Y237-F265 HydrophobicContact CD2-CD2 4.02Å; Y237-F265 HydrophobicContact CE1-CB 3.78Å; Y237-F265 AromaticContact CE1-CD2 3.97Å; Y237-F265 HydrophobicContact CE1-CD2 3.97Å; Y237-F265 HydrophobicContact CE1-CG 4.34Å; Y237-F265 HydrophobicContact CE2-CD2 4.18Å; Y237-F265 AromaticContact CG-CD2 3.86Å; Y237-F265 HydrophobicContact CG-CD2 3.86Å; L239-F265 HydrophobicContact CD1-CD2 4.2Å; L239-F265 HydrophobicContact CD2-CB 3.93Å; L239-F265 HydrophobicContact CD2-CD2 4.41Å; L239-F265 HydrophobicContact CD2-CG 4.29Å; K261-F265 PolarHBondContact O-N 3.01Å; D262-F265 PolarHBondContact O-N 3.06Å; F265-Q267 PolarHBondContact O-N 3.18Å; F265-D268 PolarHBondContact O-N 2.94Å; F265-M269 HydrophobicContact CD2-CE 3.74Å; F265-M269 HydrophobicContact CE1-CB 4.34Å; F265-M269 HydrophobicContact CE2-CE 3.44Å; F265-M269 VanDerWaalsContact CE2-CE 3.44Å; F265-M269 HydrophobicContact CZ-CB 4.29Å; F265-M269 HydrophobicContact CZ-CE 4.12Å; F265-M269 CarbonylContact O-C 3.49Å; F265-M269 WeakPolarHBondContact O-CA 3.49Å; F265-M269 PolarHBondContact O-N 3.45Å; F265-L273 HydrophobicContact CE2-CD1 4.08Å; F265-L273 HydrophobicContact CZ-CD1 4.27Å; F265-L273 HydrophobicContact CZ-CG 4.38Å; F265-V438 HydrophobicContact CD1-CG2 4.39Å; F265-V438 HydrophobicContact CE1-CB 4.22Å; F265-V438 HydrophobicContact CE1-CG1 4.31Å; F265-V438 HydrophobicContact CE1-CG2 4.12Å; F265-V438 HydrophobicContact CE2-CG1 3.9Å; F265-V438 HydrophobicContact CZ-CB 4.07Å; F265-V438 HydrophobicContact CZ-CG1 3.69Å; F265-V438 HydrophobicContact CZ-CG2 4.33Å
266	I	95.6	Very high	94	Very high	68 Å²	68	45 Å²	45	35%	0.349	25%	0.248	S	C	.	.	H	α-helix	trans	-60.6	-31.5	179.5	-69	160.4	0	0	0	111.7	D262 L263 D264 P270 F433 T437	D262-I266 WeakPolarHBondContact O-CD1 2.9Å; D262-I266 WeakPolarHBondContact O-CG1 3.19Å; D262-I266 PolarHBondContact O-N 3.13Å; L263-I266 HydrophobicContact CD2-CD1 4.34Å; D264-I266 PolarHBondContact O-N 3.38Å; I266-P270 WeakPolarHBondContact O-CA 3.27Å; I266-F433 HydrophobicContact CD1-CE2 3.86Å; I266-F433 HydrophobicContact CD1-CZ 4.17Å; I266-F433 HydrophobicContact CG1-CE2 4Å; I266-F433 HydrophobicContact CG1-CZ 4.15Å; I266-T437 HydrophobicContact CG1-CG2 4.38Å
267	Q	95.3	Very high	94.2	Very high	115 Å²	115	42.5 Å²	42.5	54%	0.537	23%	0.227	S	C	.	.	H	α-helix	trans	-83.5	-43.8	-178.9	175.9	177.1	-27.9	0	0	112.5	R247 L263 D264 F265	R247-Q267 VanDerWaalsContact CZ-OE1 3.31Å; L263-Q267 WeakPolarHBondContact O-CB 3.47Å; L263-Q267 PolarHBondContact O-N 3.48Å; D264-Q267 PolarHBondContact O-N 3.12Å; D264-Q267 VanDerWaalsContact O-N 3.08Å; F265-Q267 PolarHBondContact O-N 3.18Å
268	D	92.8	Very high	94.3	Very high	83 Å²	83	45.6 Å²	45.6	44%	0.444	24%	0.242	S	C	.	.	H	α-helix	trans	-88.6	-23.5	-171.8	-57.4	-24.7	0	0	0	112.2	D264 F265	D264-D268 WeakPolarHBondContact O-CB 3.13Å; D264-D268 VanDerWaalsContact O-CG 3.26Å; D264-D268 PolarHBondContact O-N 3.32Å; F265-D268 PolarHBondContact O-N 2.94Å
269	M	92.7	Very high	94.1	Very high	29 Å²	29	45.8 Å²	45.8	14%	0.143	24%	0.243	C	C	.	.			trans	-137.2	64.1	175.6	-70.1	-169.4	-76.6	0	0	112.2	L235 Y237 F265 D271 G272 L273 I308	L235-M269 HydrophobicContact CD1-CE 4.35Å; Y237-M269 HydrophobicContact CD2-CE 4.21Å; Y237-M269 HydrophobicContact CE2-CE 3.34Å; F265-M269 HydrophobicContact CD2-CE 3.74Å; F265-M269 HydrophobicContact CE1-CB 4.34Å; F265-M269 HydrophobicContact CE2-CE 3.44Å; F265-M269 VanDerWaalsContact CE2-CE 3.44Å; F265-M269 HydrophobicContact CZ-CB 4.29Å; F265-M269 HydrophobicContact CZ-CE 4.12Å; F265-M269 CarbonylContact O-C 3.49Å; F265-M269 WeakPolarHBondContact O-CA 3.49Å; F265-M269 PolarHBondContact O-N 3.45Å; M269-D271 PolarHBondContact O-N 3.38Å; M269-G272 PolarHBondContact O-N 2.96Å; M269-L273 HydrophobicContact SD-CD2 3.76Å; M269-L273 HydrophobicContact SD-CG 4.27Å; M269-I308 HydrophobicContact CE-CD1 3.78Å; M269-I308 HydrophobicContact SD-CD1 4.41Å
270	P	92.4	Very high	94.2	Very high	80 Å²	80	47.4 Å²	47.4	52%	0.519	25%	0.248	S	C	.	.	T	Hydrogen-bonded Turn	trans	-60.1	-33.8	-179.6	25	-35.2	0	0	0	113	I266 G272 K440	I266-P270 WeakPolarHBondContact O-CA 3.27Å; P270-G272 VanDerWaalsContact C-N 3.28Å; P270-G272 PolarHBondContact O-N 3.44Å; P270-K440 PolarHBondContact O-NZ 2.76Å
271	D	92.6	Very high	94	Very high	94 Å²	94	48.7 Å²	48.7	50%	0.503	26%	0.258	S	S	.	.	T	Hydrogen-bonded Turn	trans	-75.9	-12.2	175.4	-71.9	-64.1	0	0	0	113.9	M269 V380 K440	M269-D271 PolarHBondContact O-N 3.38Å; D271-V380 HydrophobicContact CB-CG1 3.2Å; D271-K440 VanDerWaalsContact O-CD 3.23Å; D271-K440 WeakPolarHBondContact O-CD 3.43Å; D271-K440 WeakPolarHBondContact O-CE 3.43Å; D271-K440 PolarHBondContact O-NZ 3.15Å
272	G	94.4	Very high	93.8	Very high	4 Å²	4	47.2 Å²	47.2	4%	0.041	26%	0.255	C	S	.	.			trans	69.4	-169.6	179.7	0	0	0	0	0	114	M269 P270	M269-G272 PolarHBondContact O-N 2.96Å; P270-G272 VanDerWaalsContact C-N 3.28Å; P270-G272 PolarHBondContact O-N 3.44Å
273	L	95.3	Very high	93.7	Very high	0 Å²	0	47.4 Å²	47.4	0%	0	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.5	121.9	-175.8	-65	164	0	0	0	110.2	F265 M269 M306 I308 L385 I387 V438 F439 K440	F265-L273 HydrophobicContact CE2-CD1 4.08Å; F265-L273 HydrophobicContact CZ-CD1 4.27Å; F265-L273 HydrophobicContact CZ-CG 4.38Å; M269-L273 HydrophobicContact SD-CD2 3.76Å; M269-L273 HydrophobicContact SD-CG 4.27Å; L273-M306 HydrophobicContact CD1-CE 4.14Å; L273-M306 HydrophobicContact CD1-SD 3.51Å; L273-M306 VanDerWaalsContact CD1-SD 3.51Å; L273-I308 HydrophobicContact CD1-CD1 3.85Å; L273-I308 HydrophobicContact CD2-CD1 4.09Å; L273-L385 HydrophobicContact CD2-CD1 3.65Å; L273-I387 HydrophobicContact CB-CD1 4.07Å; L273-I387 HydrophobicContact CD1-CD1 3.87Å; L273-I387 HydrophobicContact CD2-CD1 4.47Å; L273-I387 HydrophobicContact CG-CD1 4.35Å; L273-V438 PolarHBondContact N-O 2.85Å; L273-F439 HydrophobicContact CB-CD1 4.26Å; L273-F439 HydrophobicContact CD1-CE1 4.45Å; L273-F439 WeakPolarHBondContact O-CA 3.35Å; L273-K440 PolarHBondContact O-N 2.86Å
274	L	95.5	Very high	93.7	Very high	38 Å²	38	45.8 Å²	45.8	20%	0.199	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.1	117.7	-173.4	-58	178.8	0	0	0	110.6	A377 R378 K440 I442	L274-A377 CarbonylContact O-C 3.57Å; L274-A377 WeakPolarHBondContact O-CA 3.37Å; L274-R378 WeakPolarHBondContact CB-O 3.31Å; L274-R378 PolarHBondContact N-O 3.04Å; L274-R378 PolarHBondContact O-N 2.88Å; L274-K440 WeakPolarHBondContact CA-O 3.49Å; L274-K440 HydrophobicContact CD2-CB 4.25Å; L274-I442 HydrophobicContact CB-CG1 3.79Å
275	L	94	Very high	93.6	Very high	0 Å²	0	52 Å²	52	0%	0	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.3	149.4	178.2	-67.9	-179.2	0	0	0	111.5	L283 I375 P376 A377 I387 F439 K440 I442	L275-L283 HydrophobicContact CD1-CD2 3.66Å; L275-I375 HydrophobicContact CD2-CG2 3.68Å; L275-P376 WeakPolarHBondContact CD2-O 3.2Å; L275-A377 HydrophobicContact CD2-CB 3.61Å; L275-I387 HydrophobicContact CD2-CD1 4.48Å; L275-F439 HydrophobicContact CD1-CB 4.03Å; L275-F439 HydrophobicContact CD1-CD1 3.73Å; L275-F439 HydrophobicContact CD1-CE1 4.49Å; L275-F439 HydrophobicContact CD1-CG 4.06Å; L275-F439 HydrophobicContact CG-CD1 4.27Å; L275-K440 PolarHBondContact N-O 2.83Å; L275-I442 WeakPolarHBondContact O-CG1 3.33Å; L275-I442 PolarHBondContact O-N 3.21Å
276	E	91.6	Very high	93.5	Very high	115 Å²	115	52.5 Å²	52.5	54%	0.537	28%	0.278	S	S	.	.			trans	-61	151.5	166.2	-60.8	177.5	143.7	0	0	110.3	D278 N279 Y280 I442	E276-D278 VanDerWaalsContact C-N 3.29Å; E276-D278 PolarHBondContact O-N 3Å; E276-N279 HydrophobicContact CB-CB 4.48Å; E276-N279 PolarHBondContact O-N 3.49Å; E276-N279 PolarHBondContact OE2-ND2 2.99Å; E276-N279 VanDerWaalsContact OE2-ND2 3.12Å; E276-Y280 PolarHBondContact O-N 3.34Å; E276-I442 HydrophobicContact CG-CD1 3.98Å
277	A	92.2	Very high	93.6	Very high	47 Å²	47	49.3 Å²	49.3	39%	0.388	26%	0.262	S	S	.	.	H	α-helix	trans	-57.5	-41.1	-168.3	0	0	0	0	0	112.9	N281	A277-N281 VanDerWaalsContact O-CB 3.32Å; A277-N281 WeakPolarHBondContact O-CB 3.44Å; A277-N281 PolarHBondContact O-N 2.91Å; A277-N281 PolarHBondContact O-ND2 3.49Å; A277-N281 PolarHBondContact O-OD1 2.97Å
278	D	89.6	Confident	93.6	Very high	121 Å²	121	48.1 Å²	48.1	65%	0.647	26%	0.256	S	S	*	.	H	α-helix	trans	-73.9	-40.7	-179.2	-61.3	-40.4	0	0	0	112.2	E276 Y280 N281 A282	E276-D278 VanDerWaalsContact C-N 3.29Å; E276-D278 PolarHBondContact O-N 3Å; D278-Y280 VanDerWaalsContact C-N 3.34Å; D278-Y280 PolarHBondContact O-N 3.29Å; D278-N281 PolarHBondContact O-N 2.87Å; D278-A282 VanDerWaalsContact O-CB 3.29Å; D278-A282 WeakPolarHBondContact O-CB 3.26Å; D278-A282 PolarHBondContact O-N 2.89Å
279	N	90.3	Very high	93.8	Very high	14 Å²	14	48.5 Å²	48.5	8%	0.075	25%	0.252	C	S	.	.	H	α-helix	trans	-59.4	-46.6	175.2	-53.4	-4.8	0	0	0	110.2	E276 L283 I356 I375	E276-N279 HydrophobicContact CB-CB 4.48Å; E276-N279 PolarHBondContact O-N 3.49Å; E276-N279 PolarHBondContact OE2-ND2 2.99Å; E276-N279 VanDerWaalsContact OE2-ND2 3.12Å; N279-L283 WeakPolarHBondContact O-CB 3.34Å; N279-L283 PolarHBondContact O-N 3.16Å; N279-I356 HydrophobicContact CB-CG2 4Å; N279-I356 WeakPolarHBondContact OD1-CG2 3.36Å; N279-I375 HydrophobicContact CB-CG2 4.44Å
280	Y	94.6	Very high	94	Very high	38 Å²	38	47.1 Å²	47.1	15%	0.149	25%	0.245	C	C	.	.	H	α-helix	trans	-60.4	-49.9	172.9	175.2	-77.1	0	0	0	112	E276 D278 A282 L283 C284 C435 F439 K441	E276-Y280 PolarHBondContact O-N 3.34Å; D278-Y280 VanDerWaalsContact C-N 3.34Å; D278-Y280 PolarHBondContact O-N 3.29Å; Y280-A282 VanDerWaalsContact C-N 3.33Å; Y280-A282 PolarHBondContact O-N 3.49Å; Y280-L283 PolarHBondContact O-N 3.44Å; Y280-C284 HydrophobicContact CE1-CB 4.41Å; Y280-C284 WeakPolarHBondContact O-CB 3.19Å; Y280-C284 PolarHBondContact O-N 2.87Å; Y280-C435 WeakPolarHBondContact CE2-O 3.46Å; Y280-C435 PolarHBondContact OH-O 3Å; Y280-F439 HydrophobicContact CD2-CB 4.39Å; Y280-K441 HydrophobicContact CD1-CD 4.06Å; Y280-K441 HydrophobicContact CD1-CG 3.7Å; Y280-K441 HydrophobicContact CD2-CG 3.84Å; Y280-K441 HydrophobicContact CE1-CD 4.32Å; Y280-K441 HydrophobicContact CE1-CG 4.12Å; Y280-K441 HydrophobicContact CE2-CG 4.21Å; Y280-K441 HydrophobicContact CG-CD 4.4Å; Y280-K441 HydrophobicContact CG-CG 3.56Å
281	N	93.6	Very high	94.2	Very high	71 Å²	71	43.4 Å²	43.4	38%	0.38	22%	0.221	S	C	.	.	H	α-helix	trans	-61.7	-43.7	-175.8	-73.3	-26.3	0	0	0	110.8	A277 D278 K285 K441	A277-N281 VanDerWaalsContact O-CB 3.32Å; A277-N281 WeakPolarHBondContact O-CB 3.44Å; A277-N281 PolarHBondContact O-N 2.91Å; A277-N281 PolarHBondContact O-ND2 3.49Å; A277-N281 PolarHBondContact O-OD1 2.97Å; D278-N281 PolarHBondContact O-N 2.87Å; N281-K285 VanDerWaalsContact O-CB 3.23Å; N281-K285 WeakPolarHBondContact O-CB 3.15Å; N281-K285 PolarHBondContact O-N 2.87Å; N281-K285 VanDerWaalsContact O-N 3.08Å; N281-K441 WeakPolarHBondContact OD1-CE 3.33Å; N281-K441 PolarHBondContact OD1-NZ 3.49Å
282	A	91.1	Very high	94.3	Very high	17 Å²	17	43.7 Å²	43.7	14%	0.14	22%	0.222	C	C	.	.	H	α-helix	trans	-66.4	-42.9	176.8	0	0	0	0	0	112	D278 Y280 T286 I356	D278-A282 VanDerWaalsContact O-CB 3.29Å; D278-A282 WeakPolarHBondContact O-CB 3.26Å; D278-A282 PolarHBondContact O-N 2.89Å; Y280-A282 VanDerWaalsContact C-N 3.33Å; Y280-A282 PolarHBondContact O-N 3.49Å; A282-T286 WeakPolarHBondContact O-CB 3.21Å; A282-T286 PolarHBondContact O-N 3.37Å; A282-T286 PolarHBondContact O-OG1 2.89Å; A282-I356 HydrophobicContact CB-CG1 3.93Å
283	L	94.1	Very high	94.3	Very high	4 Å²	4	44.9 Å²	44.9	2%	0.021	23%	0.227	C	C	.	.	H	α-helix	trans	-61.6	-53	177.3	176.5	55.4	0	0	0	111.7	L201 L275 N279 Y280 K285 T286 I287 I375 I389 F439	L201-L283 HydrophobicContact CD1-CD1 3.94Å; L275-L283 HydrophobicContact CD1-CD2 3.66Å; N279-L283 WeakPolarHBondContact O-CB 3.34Å; N279-L283 PolarHBondContact O-N 3.16Å; Y280-L283 PolarHBondContact O-N 3.44Å; L283-K285 VanDerWaalsContact C-N 3.33Å; L283-K285 PolarHBondContact O-N 3.24Å; L283-T286 WeakPolarHBondContact O-CA 3.4Å; L283-T286 WeakPolarHBondContact O-CB 3.27Å; L283-T286 PolarHBondContact O-N 3Å; L283-I287 HydrophobicContact CD1-CD1 3.85Å; L283-I287 HydrophobicContact CD1-CG1 4.1Å; L283-I287 HydrophobicContact CG-CD1 3.93Å; L283-I287 WeakPolarHBondContact O-CG1 3.43Å; L283-I287 PolarHBondContact O-N 3.4Å; L283-I375 HydrophobicContact CD1-CD1 4.15Å; L283-I375 HydrophobicContact CD2-CD1 4.02Å; L283-I389 HydrophobicContact CD1-CD1 3.45Å; L283-I389 VanDerWaalsContact CD1-CD1 3.45Å; L283-I389 HydrophobicContact CD2-CD1 4.33Å; L283-F439 HydrophobicContact CD2-CD1 3.96Å; L283-F439 HydrophobicContact CD2-CD2 3.65Å; L283-F439 HydrophobicContact CD2-CE1 3.96Å; L283-F439 HydrophobicContact CD2-CE2 3.67Å; L283-F439 HydrophobicContact CD2-CG 3.8Å; L283-F439 HydrophobicContact CD2-CZ 3.8Å
284	C	95.6	Very high	94.3	Very high	15 Å²	15	45 Å²	45	10%	0.101	23%	0.227	C	C	.	.	H	α-helix	trans	-64.4	-35.9	-179.6	-78.6	0	0	0	0	113	Y280 T286 Q288 C435	Y280-C284 HydrophobicContact CE1-CB 4.41Å; Y280-C284 WeakPolarHBondContact O-CB 3.19Å; Y280-C284 PolarHBondContact O-N 2.87Å; C284-T286 VanDerWaalsContact C-N 3.29Å; C284-T286 PolarHBondContact O-N 2.92Å; C284-Q288 WeakPolarHBondContact O-CB 3.22Å; C284-Q288 PolarHBondContact O-N 3.28Å; C284-C435 WeakPolarHBondContact CA-SG 3.39Å; C284-C435 HydrophobicContact CB-CB 4.25Å; C284-C435 WeakPolarHBondContact CB-SG 3.44Å; C284-C435 WeakPolarHBondContact SG-CB 3.19Å; C284-C435 CovalentContact SG-SG 2.04Å; C284-C435 PolarHBondContact SG-SG 3.42Å
285	K	95.2	Very high	94.1	Very high	140 Å²	140	46.3 Å²	46.3	61%	0.609	23%	0.232	S	C	*	.	H	α-helix	trans	-64.4	-32.9	171.2	-174.8	175.8	-178.6	178.3	0	112.5	N281 L283 R289	N281-K285 VanDerWaalsContact O-CB 3.23Å; N281-K285 WeakPolarHBondContact O-CB 3.15Å; N281-K285 PolarHBondContact O-N 2.87Å; N281-K285 VanDerWaalsContact O-N 3.08Å; L283-K285 VanDerWaalsContact C-N 3.33Å; L283-K285 PolarHBondContact O-N 3.24Å; K285-R289 VanDerWaalsContact O-CG 3.27Å; K285-R289 WeakPolarHBondContact O-CG 3.46Å; K285-R289 PolarHBondContact O-N 3.2Å
286	T	95.5	Very high	94	Very high	10 Å²	10	49.5 Å²	49.5	6%	0.061	26%	0.255	C	S	.	.	H	α-helix	trans	-73.6	-49.8	177.3	-55.2	0	0	0	0	110.8	R199 L201 A282 L283 C284 Q288 R289 D290	R199-T286 HydrophobicContact CB-CG2 4.03Å; R199-T286 WeakPolarHBondContact O-CG2 3.14Å; L201-T286 HydrophobicContact CG-CG2 4.09Å; A282-T286 WeakPolarHBondContact O-CB 3.21Å; A282-T286 PolarHBondContact O-N 3.37Å; A282-T286 PolarHBondContact O-OG1 2.89Å; L283-T286 WeakPolarHBondContact O-CA 3.4Å; L283-T286 WeakPolarHBondContact O-CB 3.27Å; L283-T286 PolarHBondContact O-N 3Å; C284-T286 VanDerWaalsContact C-N 3.29Å; C284-T286 PolarHBondContact O-N 2.92Å; T286-Q288 VanDerWaalsContact C-N 3.3Å; T286-Q288 PolarHBondContact O-N 2.6Å; T286-R289 PolarHBondContact O-N 2.74Å; T286-D290 PolarHBondContact O-N 2.89Å
287	I	96.4	Very high	94	Very high	0 Å²	0	46.2 Å²	46.2	0%	0	24%	0.239	C	C	.	.	H	α-helix	trans	-53.5	-47.2	174.6	-67	168.6	0	0	0	110.5	L201 L283 R289 D290 C291 F430 Q431 M434	L201-I287 HydrophobicContact CD1-CD1 4.47Å; L201-I287 HydrophobicContact CD1-CG1 3.65Å; L283-I287 HydrophobicContact CD1-CD1 3.85Å; L283-I287 HydrophobicContact CD1-CG1 4.1Å; L283-I287 HydrophobicContact CG-CD1 3.93Å; L283-I287 WeakPolarHBondContact O-CG1 3.43Å; L283-I287 PolarHBondContact O-N 3.4Å; I287-R289 VanDerWaalsContact C-N 3.34Å; I287-R289 PolarHBondContact O-N 2.73Å; I287-D290 PolarHBondContact O-N 3.48Å; I287-C291 VanDerWaalsContact O-CB 3.26Å; I287-C291 WeakPolarHBondContact O-CB 3.25Å; I287-C291 PolarHBondContact O-N 3.18Å; I287-C291 PolarHBondContact O-SG 3.45Å; I287-C291 VanDerWaalsContact O-SG 3.41Å; I287-F430 HydrophobicContact CG2-CD1 4.42Å; I287-F430 HydrophobicContact CG2-CE1 4.31Å; I287-Q431 HydrophobicContact CG2-CB 4.39Å; I287-Q431 HydrophobicContact CG2-CG 4.25Å; I287-M434 HydrophobicContact CD1-CB 3.92Å
288	Q	96.7	Very high	93.9	Very high	90 Å²	90	47.7 Å²	47.7	42%	0.421	24%	0.237	S	C	.	.	H	α-helix	trans	-58.3	-42.6	177.7	-174.9	177.9	29.3	0	0	112.7	C284 T286 L292	C284-Q288 WeakPolarHBondContact O-CB 3.22Å; C284-Q288 PolarHBondContact O-N 3.28Å; T286-Q288 VanDerWaalsContact C-N 3.3Å; T286-Q288 PolarHBondContact O-N 2.6Å; Q288-L292 HydrophobicContact CG-CD1 4.42Å; Q288-L292 VanDerWaalsContact O-CG 3.28Å; Q288-L292 WeakPolarHBondContact O-CG 3.46Å; Q288-L292 PolarHBondContact O-N 2.71Å; Q288-L292 VanDerWaalsContact O-N 3.08Å
289	R	96.3	Very high	93.9	Very high	92 Å²	92	42 Å²	42	35%	0.347	21%	0.206	S	C	.	.	H	α-helix	trans	-67.7	-42.8	179.3	-72.7	173.1	68.2	65.4	-4.9	112.1	Q196 K285 T286 I287 L292 L293	Q196-R289 PolarHBondContact O-NH2 2.78Å; K285-R289 VanDerWaalsContact O-CG 3.27Å; K285-R289 WeakPolarHBondContact O-CG 3.46Å; K285-R289 PolarHBondContact O-N 3.2Å; T286-R289 PolarHBondContact O-N 2.74Å; I287-R289 VanDerWaalsContact C-N 3.34Å; I287-R289 PolarHBondContact O-N 2.73Å; R289-L292 PolarHBondContact O-N 3.24Å; R289-L293 PolarHBondContact O-N 3.18Å
290	D	96.8	Very high	93.8	Very high	0 Å²	0	42 Å²	42	0%	0	21%	0.206	C	C	.	.	H	α-helix	trans	-68.2	-42.5	178.6	-64.7	-28	0	0	0	111.1	N197 T200 L201 L202 T286 I287 L292 L293 L294 I391	N197-D290 PolarHBondContact ND2-OD1 3.24Å; T200-D290 WeakPolarHBondContact CA-OD2 3.21Å; T200-D290 WeakPolarHBondContact CB-OD1 3.11Å; T200-D290 PolarHBondContact OG1-OD1 2.92Å; T200-D290 PolarHBondContact OG1-OD2 2.84Å; L201-D290 PolarHBondContact N-OD2 3.03Å; L202-D290 HydrophobicContact CD2-CB 4.05Å; L202-D290 HydrophobicContact CG-CB 4.12Å; T286-D290 PolarHBondContact O-N 2.89Å; I287-D290 PolarHBondContact O-N 3.48Å; D290-L292 VanDerWaalsContact C-N 3.34Å; D290-L292 PolarHBondContact O-N 2.71Å; D290-L293 WeakPolarHBondContact O-CB 3.47Å; D290-L293 PolarHBondContact O-N 2.69Å; D290-L293 VanDerWaalsContact O-N 3.12Å; D290-L294 VanDerWaalsContact O-CG 3.31Å; D290-L294 WeakPolarHBondContact O-CG 3.46Å; D290-L294 PolarHBondContact O-N 2.85Å; D290-I391 HydrophobicContact CB-CD1 3.87Å
291	C	96.3	Very high	93.5	Very high	2 Å²	2	42.9 Å²	42.9	1%	0.014	21%	0.213	C	C	.	.	H	α-helix	trans	-58.1	-40.3	173.2	-81.1	0	0	0	0	113.1	I287 L293 L294 Q295 A427 F430	I287-C291 VanDerWaalsContact O-CB 3.26Å; I287-C291 WeakPolarHBondContact O-CB 3.25Å; I287-C291 PolarHBondContact O-N 3.18Å; I287-C291 PolarHBondContact O-SG 3.45Å; I287-C291 VanDerWaalsContact O-SG 3.41Å; C291-L293 VanDerWaalsContact C-N 3.34Å; C291-L293 PolarHBondContact O-N 2.78Å; C291-L294 PolarHBondContact O-N 2.75Å; C291-Q295 VanDerWaalsContact O-CB 3.25Å; C291-Q295 WeakPolarHBondContact O-CB 3.32Å; C291-Q295 PolarHBondContact O-N 2.91Å; C291-A427 HydrophobicContact CB-CB 4.14Å; C291-F430 VanDerWaalsContact SG-CD1 3.59Å
292	L	95.3	Very high	93.5	Very high	100 Å²	100	39.5 Å²	39.5	52%	0.524	20%	0.195	S	C	.	.	H	α-helix	trans	-63.2	-37.6	174.8	-75.2	167.3	0	0	0	112.4	Q288 R289 D290 S296	Q288-L292 HydrophobicContact CG-CD1 4.42Å; Q288-L292 VanDerWaalsContact O-CG 3.28Å; Q288-L292 WeakPolarHBondContact O-CG 3.46Å; Q288-L292 PolarHBondContact O-N 2.71Å; Q288-L292 VanDerWaalsContact O-N 3.08Å; R289-L292 PolarHBondContact O-N 3.24Å; D290-L292 VanDerWaalsContact C-N 3.34Å; D290-L292 PolarHBondContact O-N 2.71Å; L292-S296 PolarHBondContact O-N 3.26Å
293	L	93.9	Very high	93.6	Very high	28 Å²	28	38.7 Å²	38.7	15%	0.147	19%	0.188	C	C	.	.	H	α-helix	trans	-66	-47.7	173.9	-167.3	78.8	0	0	0	111	N193 L202 R289 D290 C291 Q295 S296 F297	N193-L293 HydrophobicContact CB-CD1 4.3Å; N193-L293 HydrophobicContact CB-CD2 3.68Å; L202-L293 HydrophobicContact CD1-CD2 3.53Å; R289-L293 PolarHBondContact O-N 3.18Å; D290-L293 WeakPolarHBondContact O-CB 3.47Å; D290-L293 PolarHBondContact O-N 2.69Å; D290-L293 VanDerWaalsContact O-N 3.12Å; C291-L293 VanDerWaalsContact C-N 3.34Å; C291-L293 PolarHBondContact O-N 2.78Å; L293-Q295 VanDerWaalsContact C-N 3.3Å; L293-Q295 PolarHBondContact O-N 3.25Å; L293-S296 PolarHBondContact O-N 3.17Å; L293-S296 VanDerWaalsContact O-N 3.1Å; L293-S296 PolarHBondContact O-OG 3.01Å; L293-F297 HydrophobicContact CD1-CD2 4.3Å; L293-F297 HydrophobicContact CD1-CE2 4.02Å; L293-F297 HydrophobicContact CG-CD2 4.19Å; L293-F297 HydrophobicContact CG-CE2 4.34Å; L293-F297 WeakPolarHBondContact O-CD2 3.38Å; L293-F297 PolarHBondContact O-N 3.05Å; L293-F297 VanDerWaalsContact O-N 3.13Å
294	L	94.8	Very high	93.8	Very high	2 Å²	2	38.5 Å²	38.5	1%	0.01	19%	0.187	C	C	.	.	H	α-helix	trans	-60.7	-41.2	179.1	-63	170.5	0	0	0	111.5	L202 D290 C291 F297 K298 I299 Y302 I391 I394	L202-L294 HydrophobicContact CD2-CD1 3.88Å; L202-L294 HydrophobicContact CD2-CD2 3.92Å; L202-L294 HydrophobicContact CD2-CG 4.04Å; D290-L294 VanDerWaalsContact O-CG 3.31Å; D290-L294 WeakPolarHBondContact O-CG 3.46Å; D290-L294 PolarHBondContact O-N 2.85Å; C291-L294 PolarHBondContact O-N 2.75Å; L294-F297 PolarHBondContact O-N 3.3Å; L294-K298 PolarHBondContact O-N 3.27Å; L294-K298 VanDerWaalsContact O-N 3.12Å; L294-I299 HydrophobicContact CB-CB 4.32Å; L294-I299 HydrophobicContact CD2-CB 4.19Å; L294-I299 HydrophobicContact CD2-CD1 3.56Å; L294-I299 HydrophobicContact CD2-CG1 4.48Å; L294-I299 HydrophobicContact CD2-CG2 4.14Å; L294-I299 PolarHBondContact O-N 3.4Å; L294-Y302 HydrophobicContact CB-CD1 4.42Å; L294-Y302 HydrophobicContact CB-CE1 3.77Å; L294-Y302 HydrophobicContact CD1-CD1 3.94Å; L294-Y302 HydrophobicContact CD1-CD2 3.77Å; L294-Y302 HydrophobicContact CD1-CE1 3.75Å; L294-Y302 HydrophobicContact CD1-CE2 3.57Å; L294-Y302 HydrophobicContact CD1-CG 3.93Å; L294-Y302 HydrophobicContact CG-CE1 4.31Å; L294-I391 HydrophobicContact CD1-CD1 4.43Å; L294-I391 HydrophobicContact CD1-CG2 4Å; L294-I394 HydrophobicContact CD1-CG2 4.35Å; L294-I394 HydrophobicContact CD2-CB 3.75Å; L294-I394 HydrophobicContact CD2-CD1 4.36Å; L294-I394 HydrophobicContact CD2-CG2 3.65Å
295	Q	93.1	Very high	93.8	Very high	66 Å²	66	38.6 Å²	38.6	31%	0.308	19%	0.187	S	C	.	.	H	α-helix	trans	-64.2	-35.5	173.8	-178.8	-175.1	2.1	0	0	112.9	C291 L293 K298 A427	C291-Q295 VanDerWaalsContact O-CB 3.25Å; C291-Q295 WeakPolarHBondContact O-CB 3.32Å; C291-Q295 PolarHBondContact O-N 2.91Å; L293-Q295 VanDerWaalsContact C-N 3.3Å; L293-Q295 PolarHBondContact O-N 3.25Å; Q295-K298 WeakPolarHBondContact O-CD 3.29Å; Q295-K298 PolarHBondContact O-N 2.96Å; Q295-K298 PolarHBondContact O-NZ 2.81Å; Q295-A427 HydrophobicContact CB-CB 4.26Å
296	S	91.3	Very high	93.8	Very high	67 Å²	67	32 Å²	32	47%	0.469	16%	0.158	S	C	.	.	H	α-helix	trans	-67.7	-45.2	178	85	0	0	0	0	110.8	L292 L293 K298	L292-S296 PolarHBondContact O-N 3.26Å; L293-S296 PolarHBondContact O-N 3.17Å; L293-S296 VanDerWaalsContact O-N 3.1Å; L293-S296 PolarHBondContact O-OG 3.01Å; S296-K298 WeakPolarHBondContact O-CE 3.48Å; S296-K298 PolarHBondContact O-N 2.69Å; S296-K298 PolarHBondContact O-NZ 3.22Å
297	F	90.8	Very high	93.8	Very high	47 Å²	47	31.5 Å²	31.5	21%	0.206	16%	0.155	C	C	.	.	T	Hydrogen-bonded Turn	trans	-76.4	-0.7	177.5	-79.7	-83.5	0	0	0	115.2	F182 K185 L186 L293 L294 I299 S397	F182-F297 HydrophobicContact CZ-CB 4.17Å; F182-F297 HydrophobicContact CZ-CD1 4.49Å; K185-F297 WeakPolarHBondContact O-CE1 3.33Å; L186-F297 HydrophobicContact CD1-CB 4.32Å; L186-F297 HydrophobicContact CD1-CD1 3.74Å; L186-F297 HydrophobicContact CD1-CD2 3.6Å; L186-F297 HydrophobicContact CD1-CE1 3.91Å; L186-F297 HydrophobicContact CD1-CE2 3.78Å; L186-F297 HydrophobicContact CD1-CG 3.59Å; L186-F297 HydrophobicContact CD1-CZ 3.93Å; L293-F297 HydrophobicContact CD1-CD2 4.3Å; L293-F297 HydrophobicContact CD1-CE2 4.02Å; L293-F297 HydrophobicContact CG-CD2 4.19Å; L293-F297 HydrophobicContact CG-CE2 4.34Å; L293-F297 WeakPolarHBondContact O-CD2 3.38Å; L293-F297 PolarHBondContact O-N 3.05Å; L293-F297 VanDerWaalsContact O-N 3.13Å; L294-F297 PolarHBondContact O-N 3.3Å; F297-I299 VanDerWaalsContact C-N 3.27Å; F297-I299 HydrophobicContact CB-CD1 3.76Å; F297-I299 HydrophobicContact CB-CG1 3.99Å; F297-I299 PolarHBondContact O-N 2.74Å; F297-S397 PolarHBondContact O-OG 3.1Å
298	K	89.8	Confident	93.7	Very high	78 Å²	78	31.7 Å²	31.7	34%	0.339	16%	0.156	S	C	.	.	T	Hydrogen-bonded Turn	trans	59.2	37.2	-179.7	-43.6	-58	159.7	-152	0	112.8	L294 Q295 S296 Y398 R399 P423	L294-K298 PolarHBondContact O-N 3.27Å; L294-K298 VanDerWaalsContact O-N 3.12Å; Q295-K298 WeakPolarHBondContact O-CD 3.29Å; Q295-K298 PolarHBondContact O-N 2.96Å; Q295-K298 PolarHBondContact O-NZ 2.81Å; S296-K298 WeakPolarHBondContact O-CE 3.48Å; S296-K298 PolarHBondContact O-N 2.69Å; S296-K298 PolarHBondContact O-NZ 3.22Å; K298-Y398 PolarHBondContact O-N 2.89Å; K298-R399 HydrophobicContact CB-CG 4.41Å; K298-R399 HydrophobicContact CG-CG 4.38Å; K298-P423 HydrophobicContact CB-CG 4.2Å; K298-P423 HydrophobicContact CD-CG 4.15Å
299	I	90.6	Very high	93.6	Very high	0 Å²	0	28.1 Å²	28.1	0%	0	14%	0.139	C	C	.	.	B	Isolated β-bridge	trans	-83.1	139.8	170.8	-57	161	0	0	0	107.6	F182 L186 L294 F297 Y302 I394	F182-I299 HydrophobicContact CE1-CD1 3.79Å; F182-I299 HydrophobicContact CE1-CG1 3.71Å; F182-I299 HydrophobicContact CZ-CD1 3.72Å; F182-I299 HydrophobicContact CZ-CG1 3.5Å; L186-I299 HydrophobicContact CD1-CD1 4.46Å; L294-I299 HydrophobicContact CB-CB 4.32Å; L294-I299 HydrophobicContact CD2-CB 4.19Å; L294-I299 HydrophobicContact CD2-CD1 3.56Å; L294-I299 HydrophobicContact CD2-CG1 4.48Å; L294-I299 HydrophobicContact CD2-CG2 4.14Å; L294-I299 PolarHBondContact O-N 3.4Å; F297-I299 VanDerWaalsContact C-N 3.27Å; F297-I299 HydrophobicContact CB-CD1 3.76Å; F297-I299 HydrophobicContact CB-CG1 3.99Å; F297-I299 PolarHBondContact O-N 2.74Å; I299-Y302 HydrophobicContact CG2-CD1 4.02Å; I299-I394 VanDerWaalsContact CD1-O 3.32Å; I299-I394 WeakPolarHBondContact CD1-O 3.49Å; I299-I394 HydrophobicContact CG2-CB 4.25Å; I299-I394 WeakPolarHBondContact CG2-O 3.35Å
300	M	88.4	Confident	93.4	Very high	16 Å²	16	24.6 Å²	24.6	8%	0.079	13%	0.127	C	C	.	.			trans	-136	-179.8	173.7	-56.9	-162.4	-46.7	0	0	108.9	Y302 Y398 P423 Y426	M300-Y302 PolarHBondContact O-N 2.92Å; M300-Y398 HydrophobicContact CE-CD2 3.71Å; M300-Y398 HydrophobicContact CE-CE2 4.37Å; M300-Y398 HydrophobicContact CE-CG 3.93Å; M300-P423 HydrophobicContact CG-CB 3.95Å; M300-P423 HydrophobicContact CG-CG 3.86Å; M300-P423 HydrophobicContact SD-CB 4.14Å; M300-P423 HydrophobicContact SD-CG 3.72Å; M300-Y426 HydrophobicContact CB-CD2 4.18Å; M300-Y426 HydrophobicContact CB-CG 4.3Å
301	D	87.2	Confident	93.1	Very high	56 Å²	56	25.7 Å²	25.7	30%	0.299	13%	0.132	S	C	.	.			trans	58.4	15.6	171.2	-59.3	-63.8	0	0	0	117	K240 Y426 V585	K240-D301 WeakPolarHBondContact CE-O 3.19Å; K240-D301 PolarHBondContact NZ-O 3.1Å; D301-Y426 VanDerWaalsContact CA-CZ 3.43Å; D301-Y426 VanDerWaalsContact CA-OH 3.27Å; D301-Y426 WeakPolarHBondContact CA-OH 3.32Å; D301-Y426 HydrophobicContact CB-CE2 4.41Å; D301-Y426 VanDerWaalsContact N-CZ 3.26Å; D301-Y426 WeakPolarHBondContact OD1-CE2 3.21Å; D301-V585 HydrophobicContact CB-CG1 3.85Å
302	Y	93.8	Very high	92.8	Very high	0 Å²	0	28.4 Å²	28.4	0%	0	15%	0.145	C	C	.	.	P	Polyproline II helix	trans	-70.7	142	166.8	53.8	-91.5	0	0	0	111.4	L294 I299 M300 I391 I392 Y426 A427 F430	L294-Y302 HydrophobicContact CB-CD1 4.42Å; L294-Y302 HydrophobicContact CB-CE1 3.77Å; L294-Y302 HydrophobicContact CD1-CD1 3.94Å; L294-Y302 HydrophobicContact CD1-CD2 3.77Å; L294-Y302 HydrophobicContact CD1-CE1 3.75Å; L294-Y302 HydrophobicContact CD1-CE2 3.57Å; L294-Y302 HydrophobicContact CD1-CG 3.93Å; L294-Y302 HydrophobicContact CG-CE1 4.31Å; I299-Y302 HydrophobicContact CG2-CD1 4.02Å; M300-Y302 PolarHBondContact O-N 2.92Å; Y302-I391 HydrophobicContact CD2-CG2 3.71Å; Y302-I391 HydrophobicContact CG-CG2 4.15Å; Y302-I392 WeakPolarHBondContact CA-O 3.22Å; Y302-I392 WeakPolarHBondContact CB-O 3.42Å; Y302-Y426 HydrophobicContact CD1-CD1 4.31Å; Y302-Y426 AromaticContact CD1-CE1 3.95Å; Y302-Y426 HydrophobicContact CD1-CE1 3.95Å; Y302-Y426 HydrophobicContact CD2-CE1 4.08Å; Y302-Y426 AromaticContact CE1-CD1 3.7Å; Y302-Y426 HydrophobicContact CE1-CD1 3.7Å; Y302-Y426 AromaticContact CE1-CE1 3.76Å; Y302-Y426 HydrophobicContact CE1-CE1 3.76Å; Y302-Y426 HydrophobicContact CE2-CD1 4.27Å; Y302-Y426 AromaticContact CE2-CE1 3.89Å; Y302-Y426 HydrophobicContact CE2-CE1 3.89Å; Y302-Y426 HydrophobicContact CG-CE1 4.13Å; Y302-Y426 AromaticContact CZ-CD1 3.69Å; Y302-Y426 AromaticContact CZ-CE1 3.74Å; Y302-Y426 PolarHBondContact O-OH 2.74Å; Y302-A427 WeakPolarHBondContact OH-CA 3.32Å; Y302-A427 WeakPolarHBondContact OH-CB 3.44Å; Y302-F430 AromaticContact CD2-CD2 3.99Å; Y302-F430 HydrophobicContact CD2-CD2 3.99Å; Y302-F430 HydrophobicContact CD2-CE1 4.34Å; Y302-F430 AromaticContact CD2-CE2 3.66Å; Y302-F430 HydrophobicContact CD2-CE2 3.66Å; Y302-F430 HydrophobicContact CD2-CG 4.45Å; Y302-F430 AromaticContact CD2-CZ 3.85Å; Y302-F430 HydrophobicContact CD2-CZ 3.85Å; Y302-F430 HydrophobicContact CE2-CB 4.46Å; Y302-F430 AromaticContact CE2-CD1 3.91Å; Y302-F430 HydrophobicContact CE2-CD1 3.91Å; Y302-F430 AromaticContact CE2-CD2 3.8Å; Y302-F430 HydrophobicContact CE2-CD2 3.8Å; Y302-F430 AromaticContact CE2-CE1 3.97Å; Y302-F430 HydrophobicContact CE2-CE1 3.97Å; Y302-F430 AromaticContact CE2-CE2 3.86Å; Y302-F430 HydrophobicContact CE2-CE2 3.86Å; Y302-F430 AromaticContact CE2-CG 3.82Å; Y302-F430 HydrophobicContact CE2-CG 3.82Å; Y302-F430 AromaticContact CE2-CZ 3.93Å; Y302-F430 HydrophobicContact CE2-CZ 3.93Å; Y302-F430 WeakPolarHBondContact O-CE2 3.3Å
303	S	94.4	Very high	92.6	Very high	0 Å²	0	27.4 Å²	27.4	0%	0	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.9	162.3	170.4	-37.2	0	0	0	0	111.5	D238 L239 K240 I391 I392	D238-S303 PolarHBondContact OD1-OG 3.17Å; D238-S303 WeakPolarHBondContact OD2-CB 3.38Å; D238-S303 PolarHBondContact OD2-OG 3.29Å; L239-S303 CarbonylContact O-C 3.53Å; L239-S303 WeakPolarHBondContact O-CA 3.41Å; L239-S303 WeakPolarHBondContact O-CB 3.16Å; K240-S303 WeakPolarHBondContact CE-OG 3.26Å; K240-S303 WeakPolarHBondContact CG-OG 3.3Å; S303-I391 CarbonylContact O-C 3.59Å; S303-I391 VanDerWaalsContact O-CA 3.3Å; S303-I391 WeakPolarHBondContact O-CA 3.28Å; S303-I392 PolarHBondContact N-O 3.11Å; S303-I392 VanDerWaalsContact O-CG1 3.3Å; S303-I392 WeakPolarHBondContact O-CG1 3.4Å; S303-I392 PolarHBondContact O-N 3.29Å
304	L	97.1	Very high	92.4	Very high	0 Å²	0	26.4 Å²	26.4	0%	0	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.3	119.2	148.3	-168.5	73.1	0	0	0	107.3	L201 L239 M306 I389 I391 F430 M434 F439	L201-L304 HydrophobicContact CD1-CD1 4.24Å; L239-L304 PolarHBondContact N-O 3.37Å; L239-L304 PolarHBondContact O-N 3.2Å; L304-M306 HydrophobicContact CD2-CE 4.27Å; L304-I389 HydrophobicContact CD1-CB 4.24Å; L304-I389 HydrophobicContact CD2-CG2 4.26Å; L304-I389 HydrophobicContact CG-CB 4.5Å; L304-I389 HydrophobicContact CG-CG2 4.44Å; L304-I391 HydrophobicContact CD1-CG1 3.96Å; L304-F430 HydrophobicContact CB-CE2 4.39Å; L304-F430 HydrophobicContact CB-CZ 3.86Å; L304-M434 HydrophobicContact CB-CE 3.82Å; L304-M434 HydrophobicContact CB-SD 4.05Å; L304-M434 HydrophobicContact CD2-CG 4.21Å; L304-M434 HydrophobicContact CD2-SD 3.8Å; L304-F439 HydrophobicContact CD2-CE2 3.94Å; L304-F439 HydrophobicContact CD2-CZ 4.28Å
305	L	96.1	Very high	92.1	Very high	17 Å²	17	28.6 Å²	28.6	9%	0.089	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.1	135.2	163.9	-175.4	61.5	0	0	0	108	L226 L227 I389 G390 I392	L226-L305 HydrophobicContact CB-CD2 4.38Å; L226-L305 HydrophobicContact CD1-CB 4.47Å; L226-L305 HydrophobicContact CD1-CD2 4.12Å; L227-L305 HydrophobicContact CD1-CD1 4.14Å; L227-L305 HydrophobicContact CD1-CD2 3.89Å; L227-L305 HydrophobicContact CD1-CG 3.87Å; L227-L305 HydrophobicContact CG-CD2 4.29Å; L305-I389 VanDerWaalsContact O-CA 3.29Å; L305-I389 WeakPolarHBondContact O-CA 3.26Å; L305-G390 PolarHBondContact N-O 2.93Å; L305-G390 PolarHBondContact O-N 3.39Å; L305-G390 VanDerWaalsContact O-N 3.15Å; L305-I392 HydrophobicContact CB-CD1 3.76Å; L305-I392 HydrophobicContact CB-CG1 3.99Å; L305-I392 HydrophobicContact CB-CG2 3.82Å; L305-I392 HydrophobicContact CD1-CD1 4.47Å; L305-I392 HydrophobicContact CD2-CG2 4.29Å
306	M	95.6	Very high	91.9	Very high	0 Å²	0	31.1 Å²	31.1	0%	0	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.3	134.8	178	-178.3	-177.1	-59.2	0	0	110.5	K236 Y237 L239 L273 L304 I308 I387 Y388 I389 V438 F439	K236-M306 CarbonylContact C-O 3.6Å; K236-M306 VanDerWaalsContact CA-O 3.24Å; K236-M306 WeakPolarHBondContact CA-O 3.37Å; Y237-M306 PolarHBondContact N-O 3.07Å; Y237-M306 PolarHBondContact O-N 3.36Å; L239-M306 HydrophobicContact CD1-CE 4.14Å; L273-M306 HydrophobicContact CD1-CE 4.14Å; L273-M306 HydrophobicContact CD1-SD 3.51Å; L273-M306 VanDerWaalsContact CD1-SD 3.51Å; L304-M306 HydrophobicContact CD2-CE 4.27Å; M306-I308 HydrophobicContact CG-CG1 4.14Å; M306-I308 HydrophobicContact SD-CD1 4.02Å; M306-I308 HydrophobicContact SD-CG1 4.05Å; M306-I387 HydrophobicContact CE-CG2 4.45Å; M306-I387 HydrophobicContact CG-CG2 3.64Å; M306-I387 HydrophobicContact SD-CG2 3.94Å; M306-Y388 CarbonylContact C-O 3.45Å; M306-Y388 WeakPolarHBondContact CA-O 3.49Å; M306-I389 HydrophobicContact CB-CG2 3.99Å; M306-I389 HydrophobicContact CE-CG2 4.16Å; M306-I389 HydrophobicContact CG-CG2 3.89Å; M306-V438 HydrophobicContact CE-CG1 3.45Å; M306-V438 VanDerWaalsContact CE-CG1 3.45Å; M306-F439 HydrophobicContact CE-CE1 3.81Å; M306-F439 HydrophobicContact CE-CE2 4.11Å; M306-F439 HydrophobicContact CE-CZ 3.36Å
307	G	95.3	Very high	91.7	Very high	0 Å²	0	31.9 Å²	31.9	0%	0	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.8	143.6	162.7	0	0	0	0	0	110.4	L235 Y388	L235-G307 WeakPolarHBondContact O-CA 3.45Å; G307-Y388 PolarHBondContact N-O 3.49Å; G307-Y388 PolarHBondContact O-N 2.75Å
308	I	94.4	Very high	91.4	Very high	4 Å²	4	38.6 Å²	38.6	2%	0.021	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.7	120.9	-177.9	-53.3	176.7	0	0	0	108.7	H234 L235 Y237 M269 L273 M306 L385	H234-I308 PolarHBondContact N-O 3.03Å; L235-I308 HydrophobicContact CB-CB 4.25Å; L235-I308 HydrophobicContact CB-CD1 4.33Å; L235-I308 HydrophobicContact CD1-CD1 4.35Å; L235-I308 PolarHBondContact N-O 3.47Å; L235-I308 PolarHBondContact O-N 2.91Å; Y237-I308 HydrophobicContact CD2-CD1 4.31Å; Y237-I308 HydrophobicContact CE2-CD1 4.12Å; M269-I308 HydrophobicContact CE-CD1 3.78Å; M269-I308 HydrophobicContact SD-CD1 4.41Å; L273-I308 HydrophobicContact CD1-CD1 3.85Å; L273-I308 HydrophobicContact CD2-CD1 4.09Å; M306-I308 HydrophobicContact CG-CG1 4.14Å; M306-I308 HydrophobicContact SD-CD1 4.02Å; M306-I308 HydrophobicContact SD-CG1 4.05Å; I308-L385 HydrophobicContact CG2-CB 4.25Å; I308-L385 HydrophobicContact CG2-CD1 3.95Å; I308-L385 HydrophobicContact CG2-CD2 4.02Å; I308-L385 HydrophobicContact CG2-CG 4.31Å
309	H	93.6	Very high	91.1	Very high	16 Å²	16	41 Å²	41	7%	0.074	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.6	112	170.4	176.1	80.6	0	0	0	109.2	I231 P232 M233 H234 L385 L386 Y388	I231-H309 HydrophobicContact CG2-CB 4.06Å; P232-H309 PolarHBondContact O-ND1 3.28Å; M233-H309 HydrophobicContact CE-CB 4.15Å; H234-H309 AromaticContact CE1-CE1 3.85Å; H234-H309 AromaticContact CE1-ND1 3.49Å; H234-H309 PolarHBondContact CE1-ND1 3.44Å; H234-H309 AromaticContact ND1-ND1 3.89Å; H309-L385 CarbonylContact O-C 3.57Å; H309-L385 WeakPolarHBondContact O-CA 3.35Å; H309-L386 HydrophobicContact CB-CB 4.34Å; H309-L386 PolarHBondContact N-O 2.87Å; H309-L386 PolarHBondContact O-N 2.92Å; H309-Y388 HydrophobicContact CB-CE2 4.25Å
310	N	93.7	Very high	90.7	Very high	17 Å²	17	50.9 Å²	50.9	9%	0.091	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.2	109.1	174	-174.2	-19.3	0	0	0	109.1	H234 E312 Q313 A314 E383 L385	H234-N310 PolarHBondContact CE1-N 2.8Å; H234-N310 PolarHBondContact CE1-O 2.64Å; H234-N310 PolarHBondContact ND1-N 3.46Å; H234-N310 VanDerWaalsContact ND1-N 3.15Å; N310-E312 VanDerWaalsContact C-N 3.29Å; N310-E312 PolarHBondContact O-N 3.12Å; N310-E312 PolarHBondContact OD1-N 3.23Å; N310-Q313 HydrophobicContact CB-CB 3.87Å; N310-Q313 PolarHBondContact O-N 3.18Å; N310-Q313 PolarHBondContact OD1-N 3.37Å; N310-A314 PolarHBondContact O-N 2.79Å; N310-E383 PolarHBondContact ND2-OE2 3.04Å; N310-L385 HydrophobicContact CB-CD2 3.74Å
311	M	90.2	Very high	90	Very high	23 Å²	23	55.4 Å²	55.4	11%	0.113	26%	0.259	C	S	.	.	H	α-helix	trans	-66.8	-35	-172.3	-54.5	-176.5	79.3	0	0	111.4	S315 E369 R384 L386	M311-S315 PolarHBondContact O-N 2.97Å; M311-E369 WeakPolarHBondContact CE-OE1 3.3Å; M311-E369 WeakPolarHBondContact CE-OE2 3.25Å; M311-R384 HydrophobicContact CB-CB 4.14Å; M311-R384 HydrophobicContact CG-CB 4.26Å; M311-R384 PolarHBondContact N-O 3.41Å; M311-R384 HydrophobicContact SD-CB 3.97Å; M311-R384 PolarHBondContact SD-NH2 2.96Å; M311-R384 VanDerWaalsContact SD-NH2 3.41Å; M311-L386 HydrophobicContact CE-CD1 3.97Å; M311-L386 HydrophobicContact CE-CG 4.33Å; M311-L386 HydrophobicContact CG-CD1 4.45Å; M311-L386 HydrophobicContact CG-CG 4.19Å; M311-L386 HydrophobicContact SD-CD1 4.1Å; M311-L386 HydrophobicContact SD-CD2 4.21Å; M311-L386 HydrophobicContact SD-CG 3.79Å
312	E	89.2	Confident	88.7	Confident	60 Å²	60	55.1 Å²	55.1	28%	0.28	27%	0.269	S	S	.	.	H	α-helix	trans	-79.4	-18.6	179.3	-67.6	176.5	-139	0	0	113	N310 S315 R316 E383 R384	N310-E312 VanDerWaalsContact C-N 3.29Å; N310-E312 PolarHBondContact O-N 3.12Å; N310-E312 PolarHBondContact OD1-N 3.23Å; E312-S315 PolarHBondContact O-OG 2.88Å; E312-R316 VanDerWaalsContact O-CD 3.26Å; E312-R316 WeakPolarHBondContact O-CD 3.45Å; E312-R316 VanDerWaalsContact O-CG 3.23Å; E312-R316 WeakPolarHBondContact O-CG 3.48Å; E312-R316 PolarHBondContact O-NE 3.19Å; E312-R316 IonicContact OE2-NH2 3.74Å; E312-R316 PolarHBondContact OE2-NH2 3.08Å; E312-E383 VanDerWaalsContact OE1-CA 3.23Å; E312-E383 WeakPolarHBondContact OE1-CA 3.32Å; E312-R384 PolarHBondContact OE1-N 2.84Å
313	Q	91.1	Very high	86.5	Confident	78 Å²	78	58.3 Å²	58.3	36%	0.364	30%	0.302	S	S	.	.	H	α-helix	trans	-79.1	-47.5	168.3	-176.5	170.3	-13.8	0	0	109.9	N310 S315 R316 E317	N310-Q313 HydrophobicContact CB-CB 3.87Å; N310-Q313 PolarHBondContact O-N 3.18Å; N310-Q313 PolarHBondContact OD1-N 3.37Å; Q313-S315 VanDerWaalsContact C-N 3.29Å; Q313-S315 PolarHBondContact O-N 3.09Å; Q313-R316 PolarHBondContact O-N 2.95Å; Q313-R316 VanDerWaalsContact O-N 3.16Å; Q313-E317 HydrophobicContact CG-CG 4.4Å; Q313-E317 WeakPolarHBondContact CG-OE1 3.49Å; Q313-E317 PolarHBondContact NE2-OE1 3.36Å; Q313-E317 WeakPolarHBondContact O-CG 3.29Å; Q313-E317 PolarHBondContact O-N 3.36Å
314	A	89.4	Confident	84.3	Confident	7 Å²	7	66 Å²	66	6%	0.058	34%	0.343	C	S	.	.	H	α-helix	trans	-58.6	-35	178.3	0	0	0	0	0	113.6	N310 R318	N310-A314 PolarHBondContact O-N 2.79Å; A314-R318 VanDerWaalsContact O-CG 3.31Å; A314-R318 WeakPolarHBondContact O-CG 3.41Å; A314-R318 PolarHBondContact O-N 3.14Å
315	S	88.3	Confident	81.8	Confident	48 Å²	48	71 Å²	71	34%	0.336	38%	0.378	S	S	.	.	H	α-helix	trans	-65.6	-49.2	174.7	77.2	0	0	0	0	111.6	M311 E312 Q313 E317 R318 E319	M311-S315 PolarHBondContact O-N 2.97Å; E312-S315 PolarHBondContact O-OG 2.88Å; Q313-S315 VanDerWaalsContact C-N 3.29Å; Q313-S315 PolarHBondContact O-N 3.09Å; S315-E317 VanDerWaalsContact C-N 3.27Å; S315-E317 PolarHBondContact O-N 3.01Å; S315-R318 PolarHBondContact O-N 2.96Å; S315-R318 VanDerWaalsContact O-N 3.16Å; S315-E319 VanDerWaalsContact O-CG 3.28Å; S315-E319 WeakPolarHBondContact O-CG 3.37Å; S315-E319 PolarHBondContact O-N 2.9Å
316	R	88.8	Confident	79.4	Confident	120 Å²	120	74.3 Å²	74.3	45%	0.453	42%	0.416	S	S	.	.	H	α-helix	trans	-63	-32.6	179.1	-63.7	173	-140.6	-139.6	4.8	112.4	E312 Q313 R320	E312-R316 VanDerWaalsContact O-CD 3.26Å; E312-R316 WeakPolarHBondContact O-CD 3.45Å; E312-R316 VanDerWaalsContact O-CG 3.23Å; E312-R316 WeakPolarHBondContact O-CG 3.48Å; E312-R316 PolarHBondContact O-NE 3.19Å; E312-R316 IonicContact OE2-NH2 3.74Å; E312-R316 PolarHBondContact OE2-NH2 3.08Å; Q313-R316 PolarHBondContact O-N 2.95Å; Q313-R316 VanDerWaalsContact O-N 3.16Å; R316-R320 WeakPolarHBondContact O-CB 3.27Å; R316-R320 WeakPolarHBondContact O-CD 3.46Å; R316-R320 WeakPolarHBondContact O-CG 3.44Å; R316-R320 PolarHBondContact O-N 3.36Å; R316-R320 VanDerWaalsContact O-N 3.15Å
317	E	88	Confident	76.6	Confident	82 Å²	82	81.3 Å²	81.3	38%	0.383	45%	0.454	S	S	.	.	H	α-helix	trans	-72	-42.5	174.9	-72.9	174.5	-174.1	0	0	111.5	Q313 S315 R320 S321	Q313-E317 HydrophobicContact CG-CG 4.4Å; Q313-E317 WeakPolarHBondContact CG-OE1 3.49Å; Q313-E317 PolarHBondContact NE2-OE1 3.36Å; Q313-E317 WeakPolarHBondContact O-CG 3.29Å; Q313-E317 PolarHBondContact O-N 3.36Å; S315-E317 VanDerWaalsContact C-N 3.27Å; S315-E317 PolarHBondContact O-N 3.01Å; E317-R320 PolarHBondContact O-N 2.91Å; E317-S321 PolarHBondContact O-N 3.06Å; E317-S321 PolarHBondContact O-OG 2.9Å
318	R	84.3	Confident	74.2	Confident	189 Å²	189	86.7 Å²	86.7	71%	0.713	49%	0.491	S	S	*	.	H	α-helix	trans	-61.3	-44.6	172.1	-73.4	173.5	178.7	-171.4	0.5	112.4	A314 S315 R320 S321 G322	A314-R318 VanDerWaalsContact O-CG 3.31Å; A314-R318 WeakPolarHBondContact O-CG 3.41Å; A314-R318 PolarHBondContact O-N 3.14Å; S315-R318 PolarHBondContact O-N 2.96Å; S315-R318 VanDerWaalsContact O-N 3.16Å; R318-R320 VanDerWaalsContact C-N 3.31Å; R318-R320 PolarHBondContact O-N 3.48Å; R318-S321 PolarHBondContact O-N 3.43Å; R318-G322 PolarHBondContact O-N 3.15Å
319	E	84.4	Confident	71.3	Confident	129 Å²	129	92.1 Å²	92.1	60%	0.603	52%	0.524	S	S	*	.	H	α-helix	trans	-57.8	-41.9	176.3	-72.3	157.3	-151.8	0	0	111.8	S315	S315-E319 VanDerWaalsContact O-CG 3.28Å; S315-E319 WeakPolarHBondContact O-CG 3.37Å; S315-E319 PolarHBondContact O-N 2.9Å
320	R	81.5	Confident	68.8	Low	206 Å²	206	96.1 Å²	96.1	78%	0.777	56%	0.56	S	S	*	*	H	α-helix	trans	-69.9	-40.8	177.9	-74.6	167.6	177	-174.6	-3.3	112.9	R316 E317 R318	R316-R320 WeakPolarHBondContact O-CB 3.27Å; R316-R320 WeakPolarHBondContact O-CD 3.46Å; R316-R320 WeakPolarHBondContact O-CG 3.44Å; R316-R320 PolarHBondContact O-N 3.36Å; R316-R320 VanDerWaalsContact O-N 3.15Å; E317-R320 PolarHBondContact O-N 2.91Å; R318-R320 VanDerWaalsContact C-N 3.31Å; R318-R320 PolarHBondContact O-N 3.48Å
321	S	72.8	Confident	65.9	Low	112 Å²	112	102.6 Å²	102.6	78%	0.783	59%	0.594	S	S	*	*	H	α-helix	trans	-73.2	-25.6	178.5	-63.4	0	0	0	0	113.5	E317 R318	E317-S321 PolarHBondContact O-N 3.06Å; E317-S321 PolarHBondContact O-OG 2.9Å; R318-S321 PolarHBondContact O-N 3.43Å
322	G	59.8	Low	63.4	Low	49 Å²	49	111.3 Å²	111.3	51%	0.505	63%	0.634	S	S	.	*	T	Hydrogen-bonded Turn	trans	-83.3	-7.7	177.8	0	0	0	0	0	115.5	R318 N324	R318-G322 PolarHBondContact O-N 3.15Å; G322-N324 PolarHBondContact O-N 2.62Å
323	G	48.4	Very low	60.4	Low	67 Å²	67	110.3 Å²	110.3	69%	0.691	64%	0.641	S	S	*	*	T	Hydrogen-bonded Turn	trans	-71.4	5.4	-164.1	0	0	0	0	0	118.1
324	N	47.7	Very low	57.6	Low	162 Å²	162	112.6 Å²	112.6	87%	0.866	66%	0.662	S	S	*	*	T	Hydrogen-bonded Turn	trans	-130.1	30.1	-168.4	-146.8	100.3	0	0	0	115.2	G322	G322-N324 PolarHBondContact O-N 2.62Å
325	S	45.3	Very low	54.8	Low	105 Å²	105	118.9 Å²	118.9	73%	0.734	70%	0.7	S	S	*	*			trans	-123.6	62.5	169.1	62.2	0	0	0	0	111.1	D327	S325-D327 VanDerWaalsContact C-N 3.31Å; S325-D327 PolarHBondContact O-N 2.91Å; S325-D327 VanDerWaalsContact O-N 3.14Å
326	G	44.8	Very low	51.9	Low	87 Å²	87	122.2 Å²	122.2	90%	0.897	72%	0.718	S	S	*	*			trans	-83.9	65.2	177.7	0	0	0	0	0	113
327	D	37.4	Very low	49.3	Very low	146 Å²	146	121.4 Å²	121.4	78%	0.781	73%	0.728	S	S	*	*			trans	-139.8	143.1	158.2	-163.8	7.8	0	0	0	109.9	S325	S325-D327 VanDerWaalsContact C-N 3.31Å; S325-D327 PolarHBondContact O-N 2.91Å; S325-D327 VanDerWaalsContact O-N 3.14Å
328	S	44.8	Very low	46.4	Very low	113 Å²	113	123.6 Å²	123.6	79%	0.79	74%	0.743	S	S	*	*			trans	-120.1	96.7	-163.3	-65.1	0	0	0	0	112.3
329	V	33.1	Very low	43.9	Very low	118 Å²	118	123.3 Å²	123.3	72%	0.715	75%	0.749	S	S	*	*			trans	-113.5	110.1	163.4	-176.7	0	0	0	0	108.8	L331	V329-L331 HydrophobicContact CG1-CD1 4.45Å; V329-L331 PolarHBondContact O-N 3.25Å
330	A	42.2	Very low	41.6	Very low	100 Å²	100	127.4 Å²	127.4	83%	0.826	76%	0.759	S	S	*	*			trans	-67.4	115	170.1	0	0	0	0	0	109.2
331	L	32.3	Very low	39.4	Very low	153 Å²	153	128.9 Å²	128.9	80%	0.801	77%	0.765	S	S	*	*			trans	-108.3	87	172.2	-142.1	77.8	0	0	0	109.7	V329 G333	V329-L331 HydrophobicContact CG1-CD1 4.45Å; V329-L331 PolarHBondContact O-N 3.25Å; L331-G333 VanDerWaalsContact C-N 3.27Å; L331-G333 PolarHBondContact O-N 2.93Å
332	E	37	Very low	37.6	Very low	206 Å²	206	128.6 Å²	128.6	96%	0.963	76%	0.761	S	S	*	*			trans	-64.6	97.7	153.1	-77.2	-157.4	140.3	0	0	107.7
333	G	27.2	Very low	36.4	Very low	40 Å²	40	135.6 Å²	135.6	41%	0.412	78%	0.78	S	S	.	*			trans	-138.9	123.2	173.7	0	0	0	0	0	108.4	L331 V335	L331-G333 VanDerWaalsContact C-N 3.27Å; L331-G333 PolarHBondContact O-N 2.93Å; G333-V335 PolarHBondContact O-N 3.02Å
334	P	31.1	Very low	35.9	Very low	126 Å²	126	136.2 Å²	136.2	82%	0.818	78%	0.779	S	S	*	*			trans	-70.9	95.2	-179.5	28.6	-33.5	0	0	0	109.3	T336	P334-T336 VanDerWaalsContact C-N 3.29Å; P334-T336 PolarHBondContact O-N 3.43Å
335	V	31.3	Very low	35.6	Very low	139 Å²	139	134 Å²	134	84%	0.842	76%	0.763	S	S	*	*			trans	-66.2	93.5	170.5	-175	0	0	0	0	107.4	G333	G333-V335 PolarHBondContact O-N 3.02Å
336	T	27.8	Very low	35.8	Very low	118 Å²	118	135.6 Å²	135.6	72%	0.724	76%	0.757	S	S	*	*			trans	-56.4	121.8	176.1	49.3	0	0	0	0	108.6	P334 D338	P334-T336 VanDerWaalsContact C-N 3.29Å; P334-T336 PolarHBondContact O-N 3.43Å; T336-D338 PolarHBondContact O-N 3.01Å
337	P	34.1	Very low	35.8	Very low	103 Å²	103	132.6 Å²	132.6	67%	0.669	72%	0.722	S	S	*	*			trans	-64.1	125.5	176.9	26.6	-33.3	0	0	0	108.5	Q339	P337-Q339 WeakPolarHBondContact O-CG 3.33Å; P337-Q339 PolarHBondContact O-N 3.5Å
338	D	27.3	Very low	36.5	Very low	128 Å²	128	127.3 Å²	127.3	68%	0.684	69%	0.694	S	S	*	*			trans	-60.7	114.2	175.5	-178.5	12.6	0	0	0	109.1	T336 R340	T336-D338 PolarHBondContact O-N 3.01Å; D338-R340 PolarHBondContact O-N 3.32Å
339	Q	32.3	Very low	36.7	Very low	183 Å²	183	123.2 Å²	123.2	86%	0.855	66%	0.661	S	S	*	*	T	Hydrogen-bonded Turn	trans	-79.2	41.2	-168.4	-62.2	-171.1	-14.1	0	0	112.4	P337	P337-Q339 WeakPolarHBondContact O-CG 3.33Å; P337-Q339 PolarHBondContact O-N 3.5Å
340	R	36.5	Very low	37.5	Very low	214 Å²	214	118 Å²	118	81%	0.808	63%	0.63	S	S	*	*	T	Hydrogen-bonded Turn	trans	-124.9	9.1	-176.5	-68.2	-170.8	173.8	-163.1	0.6	114.8	D338	D338-R340 PolarHBondContact O-N 3.32Å
341	R	35.1	Very low	37.9	Very low	237 Å²	237	114.6 Å²	114.6	89%	0.894	60%	0.599	S	S	*	*			trans	-99.6	115.9	159.2	-70.5	-172.8	-179.6	176.7	0.7	110.1
342	P	33.3	Very low	38.4	Very low	107 Å²	107	107.5 Å²	107.5	70%	0.695	56%	0.562	S	S	*	*			trans	-54.8	166.2	159	-24	35.5	0	0	0	111.6	A344	P342-A344 PolarHBondContact O-N 2.96Å
343	Q	34.5	Very low	38.8	Very low	195 Å²	195	99.2 Å²	99.2	91%	0.911	52%	0.524	S	S	*	.	S	Bend	trans	-51.2	126.2	-170.5	-66.9	173.8	-21.3	0	0	113.6	Q345	Q343-Q345 PolarHBondContact O-N 3.36Å; Q343-Q345 VanDerWaalsContact O-N 3.07Å
344	A	38.6	Very low	39.7	Very low	81 Å²	81	102.5 Å²	102.5	67%	0.669	53%	0.529	S	S	*	.			trans	9.9	80.9	164.3	0	0	0	0	0	116.4	P342 K346	P342-A344 PolarHBondContact O-N 2.96Å; A344-K346 PolarHBondContact O-N 3.15Å
345	Q	42.4	Very low	40.2	Very low	116 Å²	116	97.4 Å²	97.4	54%	0.542	50%	0.496	S	S	.	.			trans	-57.1	123	168.7	179	166.2	-22.9	0	0	109.4	E169 Q343	E169-Q345 VanDerWaalsContact CD-NE2 3.26Å; E169-Q345 PolarHBondContact OE1-NE2 3.1Å; E169-Q345 PolarHBondContact OE2-NE2 3.42Å; E169-Q345 VanDerWaalsContact OE2-NE2 3.09Å; Q343-Q345 PolarHBondContact O-N 3.36Å; Q343-Q345 VanDerWaalsContact O-N 3.07Å
346	K	48.6	Very low	40.8	Very low	138 Å²	138	92.1 Å²	92.1	60%	0.6	46%	0.463	S	S	*	.			trans	-78	141.9	-178.6	-64.8	-170.3	177	-177.1	0	111	A344 L348 E354	A344-K346 PolarHBondContact O-N 3.15Å; K346-L348 PolarHBondContact O-N 2.91Å; K346-E354 WeakPolarHBondContact CD-OE1 3.47Å; K346-E354 IonicContact NZ-OE1 3.23Å; K346-E354 PolarHBondContact NZ-OE1 3.39Å
347	S	44.5	Very low	41.4	Very low	24 Å²	24	90.7 Å²	90.7	17%	0.168	45%	0.448	C	S	.	.			trans	-50.9	101.3	171.8	168	0	0	0	0	111.7	Y349 H371 V372	S347-Y349 PolarHBondContact O-N 2.82Å; S347-Y349 WeakPolarHBondContact OG-CD2 3.34Å; S347-H371 WeakPolarHBondContact CB-O 3.48Å; S347-V372 PolarHBondContact OG-O 2.96Å
348	L	52.4	Low	41.5	Very low	35 Å²	35	88.3 Å²	88.3	18%	0.183	44%	0.442	C	S	.	.	T	Hydrogen-bonded Turn	trans	-70	-7.4	178.9	-62.8	-178.6	0	0	0	113.1	I135 E169 K346 C350	I135-L348 HydrophobicContact CD1-CD1 4.06Å; I135-L348 HydrophobicContact CG1-CD1 3.81Å; I135-L348 HydrophobicContact CG1-CD2 4.31Å; E169-L348 WeakPolarHBondContact OE2-CD1 3.28Å; K346-L348 PolarHBondContact O-N 2.91Å; L348-C350 PolarHBondContact O-N 3.05Å
349	Y	49.7	Very low	42.1	Very low	27 Å²	27	92.4 Å²	92.4	11%	0.106	46%	0.457	C	S	.	.	T	Hydrogen-bonded Turn	trans	-73.3	-26	-158.8	-50.4	-56.5	0	0	0	114.6	E169 P228 I230 I231 S347	E169-Y349 HydrophobicContact CB-CE1 4.46Å; E169-Y349 HydrophobicContact CG-CE1 3.94Å; P228-Y349 HydrophobicContact CB-CD1 3.64Å; P228-Y349 HydrophobicContact CB-CD2 4.19Å; P228-Y349 HydrophobicContact CB-CE1 3.65Å; P228-Y349 HydrophobicContact CB-CE2 4.26Å; P228-Y349 HydrophobicContact CB-CG 3.94Å; P228-Y349 HydrophobicContact CG-CD1 3.75Å; P228-Y349 HydrophobicContact CG-CD2 3.68Å; P228-Y349 HydrophobicContact CG-CE1 4.16Å; P228-Y349 HydrophobicContact CG-CE2 4.16Å; P228-Y349 HydrophobicContact CG-CG 3.5Å; P228-Y349 VanDerWaalsContact CG-CG 3.5Å; I230-Y349 HydrophobicContact CG2-CE2 4.1Å; I231-Y349 HydrophobicContact CD1-CD2 4.35Å; S347-Y349 PolarHBondContact O-N 2.82Å; S347-Y349 WeakPolarHBondContact OG-CD2 3.34Å
350	C	49.5	Very low	42.3	Very low	9 Å²	9	88.3 Å²	88.3	6%	0.061	45%	0.454	C	S	.	.			trans	-157.9	112.7	172.6	-166.9	0	0	0	0	113.7	L348 A352 Y388	L348-C350 PolarHBondContact O-N 3.05Å; C350-A352 PolarHBondContact O-N 2.83Å; C350-Y388 HydrophobicContact CB-CD1 4.14Å
351	T	49.8	Very low	42.4	Very low	27 Å²	27	88.1 Å²	88.1	17%	0.166	45%	0.454	C	S	.	.	H	α-helix	trans	-64.4	-1	177.7	15.9	0	0	0	0	115.5	K204 S355	K204-T351 WeakPolarHBondContact CE-OG1 3.4Å; K204-T351 PolarHBondContact NZ-OG1 2.65Å; T351-S355 PolarHBondContact O-OG 2.82Å
352	A	44.1	Very low	42.3	Very low	5 Å²	5	79.9 Å²	79.9	4%	0.041	44%	0.442	C	S	.	.	H	α-helix	trans	-69.1	-43.3	-177	0	0	0	0	0	112.4	C350 S355 I356 I375	C350-A352 PolarHBondContact O-N 2.83Å; A352-S355 PolarHBondContact O-OG 3.16Å; A352-I356 HydrophobicContact CB-CD1 4.28Å; A352-I356 WeakPolarHBondContact O-CB 3.38Å; A352-I356 WeakPolarHBondContact O-CD1 3.38Å; A352-I356 WeakPolarHBondContact O-CG1 3.48Å; A352-I356 PolarHBondContact O-N 2.67Å; A352-I375 HydrophobicContact CB-CD1 3.68Å; A352-I375 HydrophobicContact CB-CG1 3.4Å; A352-I375 VanDerWaalsContact CB-CG1 3.4Å
353	M	44.7	Very low	42.3	Very low	31 Å²	31	85.5 Å²	85.5	15%	0.153	46%	0.456	C	S	.	.	H	α-helix	trans	-69.6	-51.6	179.1	-88.8	-161.8	79.9	0	0	113.3	S355 I356 Q357 G374	M353-S355 PolarHBondContact O-N 2.83Å; M353-I356 PolarHBondContact O-N 3.22Å; M353-Q357 VanDerWaalsContact CE-NE2 3.27Å; M353-Q357 PolarHBondContact O-N 3.29Å; M353-G374 WeakPolarHBondContact CG-O 3.34Å
354	E	47.4	Very low	42.1	Very low	110 Å²	110	79.3 Å²	79.3	51%	0.514	44%	0.444	S	S	.	.	H	α-helix	trans	-55.1	-15.4	-178.9	-72.3	-156.3	106.2	0	0	114.3	K346	K346-E354 WeakPolarHBondContact CD-OE1 3.47Å; K346-E354 IonicContact NZ-OE1 3.23Å; K346-E354 PolarHBondContact NZ-OE1 3.39Å
355	S	40.5	Very low	41.6	Very low	19 Å²	19	79.4 Å²	79.4	13%	0.133	45%	0.445	C	S	.	.	H	α-helix	trans	-115.1	-35.3	178.3	66.8	0	0	0	0	113.8	R199 T351 A352 M353 Q357	R199-S355 WeakPolarHBondContact CD-OG 3.17Å; R199-S355 WeakPolarHBondContact CG-OG 3.4Å; R199-S355 PolarHBondContact NH1-O 2.52Å; R199-S355 PolarHBondContact NH2-O 3.02Å; T351-S355 PolarHBondContact O-OG 2.82Å; A352-S355 PolarHBondContact O-OG 3.16Å; M353-S355 PolarHBondContact O-N 2.83Å; S355-Q357 VanDerWaalsContact C-N 3.33Å; S355-Q357 PolarHBondContact O-N 3.02Å
356	I	43.4	Very low	41.3	Very low	27 Å²	27	81.6 Å²	81.6	14%	0.138	46%	0.459	C	S	.	.	H	α-helix	trans	-62.3	-41.7	177.4	-74.8	171.8	0	0	0	111	N279 A282 A352 M353 G358 I375	N279-I356 HydrophobicContact CB-CG2 4Å; N279-I356 WeakPolarHBondContact OD1-CG2 3.36Å; A282-I356 HydrophobicContact CB-CG1 3.93Å; A352-I356 HydrophobicContact CB-CD1 4.28Å; A352-I356 WeakPolarHBondContact O-CB 3.38Å; A352-I356 WeakPolarHBondContact O-CD1 3.38Å; A352-I356 WeakPolarHBondContact O-CG1 3.48Å; A352-I356 PolarHBondContact O-N 2.67Å; M353-I356 PolarHBondContact O-N 3.22Å; I356-G358 PolarHBondContact O-N 2.93Å; I356-I375 HydrophobicContact CD1-CD1 4.16Å; I356-I375 HydrophobicContact CD1-CG1 4.26Å; I356-I375 HydrophobicContact CD1-CG2 4.39Å
357	Q	41.8	Very low	40.6	Very low	89 Å²	89	80.2 Å²	80.2	42%	0.416	46%	0.459	S	S	.	.	S	Bend	trans	-76.5	110.8	171	-63.4	-172.9	4.2	0	0	109.9	M353 S355	M353-Q357 VanDerWaalsContact CE-NE2 3.27Å; M353-Q357 PolarHBondContact O-N 3.29Å; S355-Q357 VanDerWaalsContact C-N 3.33Å; S355-Q357 PolarHBondContact O-N 3.02Å
358	G	35	Very low	40.5	Very low	53 Å²	53	84 Å²	84	55%	0.546	49%	0.485	S	S	.	.			trans	-73.1	172.2	170.4	0	0	0	0	0	112.4	I356 A360	I356-G358 PolarHBondContact O-N 2.93Å; G358-A360 PolarHBondContact O-N 2.87Å
359	E	39.6	Very low	40	Very low	213 Å²	213	86.7 Å²	86.7	100%	0.995	50%	0.497	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.7	24.7	-176	-57.7	170.7	128.6	0	0	114.6
360	A	36.3	Very low	39.8	Very low	97 Å²	97	89.5 Å²	89.5	80%	0.802	51%	0.514	S	S	*	.	T	Hydrogen-bonded Turn	trans	-96.7	-9.9	-170.6	0	0	0	0	0	114.8	G358 G362	G358-A360 PolarHBondContact O-N 2.87Å; A360-G362 PolarHBondContact O-N 2.9Å
361	R	38.9	Very low	39.8	Very low	211 Å²	211	94.7 Å²	94.7	80%	0.796	54%	0.537	S	S	*	.			trans	-87	86.8	165.4	-85.8	-169.7	171.1	-166.2	-3	109.7
362	G	33.4	Very low	40.1	Very low	63 Å²	63	95.8 Å²	95.8	65%	0.649	54%	0.543	S	S	*	.			trans	-62.6	155.4	168.8	0	0	0	0	0	112	A360 G364	A360-G362 PolarHBondContact O-N 2.9Å; G362-G364 PolarHBondContact O-N 3.37Å
363	K	33.8	Very low	41.6	Very low	226 Å²	226	96.1 Å²	96.1	98%	0.983	55%	0.547	S	S	*	.	S	Bend	trans	-32	104.5	-178.2	-74.4	180	171.5	-179.8	0	114.4
364	G	28.9	Very low	43.4	Very low	65 Å²	65	94.6 Å²	94.6	67%	0.67	54%	0.54	S	S	*	.			trans	-166.2	120.4	170.2	0	0	0	0	0	110.6	G362	G362-G364 PolarHBondContact O-N 3.37Å
365	A	29.6	Very low	45.4	Very low	82 Å²	82	89.4 Å²	89.4	68%	0.678	52%	0.516	S	S	*	.			trans	44.9	102.7	177.5	0	0	0	0	0	116.6	D367	A365-D367 VanDerWaalsContact C-N 3.29Å; A365-D367 PolarHBondContact O-N 3.44Å
366	L	35.8	Very low	47.9	Very low	162 Å²	162	90.6 Å²	90.6	85%	0.848	52%	0.523	S	S	*	.			trans	-72.8	85.2	161.4	-83.4	163	0	0	0	109.2
367	D	34	Very low	50.2	Low	110 Å²	110	89.7 Å²	89.7	59%	0.588	52%	0.519	S	S	*	.			trans	-70.3	142.9	165.5	-80.5	-23.9	0	0	0	109.8	A365 E369 D370	A365-D367 VanDerWaalsContact C-N 3.29Å; A365-D367 PolarHBondContact O-N 3.44Å; D367-E369 PolarHBondContact O-N 3.49Å; D367-E369 VanDerWaalsContact O-N 3.1Å; D367-D370 PolarHBondContact O-N 3.1Å
368	S	41.6	Very low	52.7	Low	104 Å²	104	91 Å²	91	73%	0.727	52%	0.521	S	S	*	.	G	3₁₀ helix	trans	-67.8	-9.5	-176.3	45.3	0	0	0	0	114.4	H371	S368-H371 PolarHBondContact O-ND1 3.12Å
369	E	42.4	Very low	55.3	Low	91 Å²	91	89.7 Å²	89.7	43%	0.425	50%	0.501	S	S	.	.	G	3₁₀ helix	trans	-68.5	-29.2	177.3	-65.8	-118.4	98.9	0	0	113.8	M311 D367 H371 V372 R384	M311-E369 WeakPolarHBondContact CE-OE1 3.3Å; M311-E369 WeakPolarHBondContact CE-OE2 3.25Å; D367-E369 PolarHBondContact O-N 3.49Å; D367-E369 VanDerWaalsContact O-N 3.1Å; E369-H371 PolarHBondContact O-N 2.9Å; E369-V372 PolarHBondContact O-N 3.2Å; E369-R384 IonicContact OE2-CZ 2.68Å; E369-R384 VanDerWaalsContact OE2-CZ 3.23Å; E369-R384 IonicContact OE2-NH1 2.81Å; E369-R384 PolarHBondContact OE2-NH1 2.85Å; E369-R384 IonicContact OE2-NH2 3.98Å; E369-R384 PolarHBondContact OE2-NH2 3.22Å
370	D	45.4	Very low	57.4	Low	85 Å²	85	84 Å²	84	46%	0.455	48%	0.481	S	S	.	.	G	3₁₀ helix	trans	-67	-8.6	-172.6	-81.6	-19.7	0	0	0	114.2	D367	D367-D370 PolarHBondContact O-N 3.1Å
371	H	49.5	Very low	59.8	Low	119 Å²	119	86.9 Å²	86.9	55%	0.551	48%	0.475	S	S	*	.	G	3₁₀ helix	trans	-81.5	-14.7	-177.7	-66.1	73.7	0	0	0	113.9	S347 S368 E369	S347-H371 WeakPolarHBondContact CB-O 3.48Å; S368-H371 PolarHBondContact O-ND1 3.12Å; E369-H371 PolarHBondContact O-N 2.9Å
372	V	57	Low	62.1	Low	49 Å²	49	78.2 Å²	78.2	30%	0.297	45%	0.452	S	S	.	.	S	Bend	trans	-89.2	-42	-166	-166.5	0	0	0	0	112.1	I231 S347 E369 L386 Y388	I231-V372 HydrophobicContact CD1-CG1 3.72Å; I231-V372 HydrophobicContact CG1-CG1 3.93Å; I231-V372 HydrophobicContact CG2-CG1 4.18Å; S347-V372 PolarHBondContact OG-O 2.96Å; E369-V372 PolarHBondContact O-N 3.2Å; V372-L386 HydrophobicContact CG1-CD1 4.47Å; V372-Y388 WeakPolarHBondContact CG1-OH 3.38Å; V372-Y388 PolarHBondContact O-OH 3.27Å
373	G	75	Confident	64.8	Low	12 Å²	12	76.7 Å²	76.7	12%	0.124	43%	0.427	C	S	.	.			trans	88.9	-159.1	-177.7	0	0	0	0	0	114	Y388	G373-Y388 PolarHBondContact O-OH 3.44Å
374	G	83.1	Confident	67.6	Low	0 Å²	0	70.9 Å²	70.9	0%	0	40%	0.399	C	S	.	.	S	Bend	trans	76.5	137.1	178.1	0	0	0	0	0	114.9	M353 P376 I387	M353-G374 WeakPolarHBondContact CG-O 3.34Å; G374-P376 WeakPolarHBondContact O-CD 3.08Å; G374-I387 CarbonylContact C-O 3.57Å; G374-I387 WeakPolarHBondContact CA-O 3.36Å
375	I	89.2	Confident	70.7	Confident	1 Å²	1	68.1 Å²	68.1	1%	0.005	37%	0.369	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-62	123.1	-174.3	-52.7	-179.9	0	0	0	110.3	L275 N279 L283 A352 I356 I387 I389	L275-I375 HydrophobicContact CD2-CG2 3.68Å; N279-I375 HydrophobicContact CB-CG2 4.44Å; L283-I375 HydrophobicContact CD1-CD1 4.15Å; L283-I375 HydrophobicContact CD2-CD1 4.02Å; A352-I375 HydrophobicContact CB-CD1 3.68Å; A352-I375 HydrophobicContact CB-CG1 3.4Å; A352-I375 VanDerWaalsContact CB-CG1 3.4Å; I356-I375 HydrophobicContact CD1-CD1 4.16Å; I356-I375 HydrophobicContact CD1-CG1 4.26Å; I356-I375 HydrophobicContact CD1-CG2 4.39Å; I375-I387 HydrophobicContact CB-CB 4.45Å; I375-I387 PolarHBondContact N-O 3.1Å; I375-I387 PolarHBondContact O-N 3.2Å; I375-I389 HydrophobicContact CD1-CD1 3.66Å; I375-I389 HydrophobicContact CD1-CG1 4.11Å
376	P	91.5	Very high	73.7	Confident	43 Å²	43	65 Å²	65	28%	0.279	34%	0.341	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.4	131.2	177	28.2	-33.6	0	0	0	111.2	L275 G374 L386	L275-P376 WeakPolarHBondContact CD2-O 3.2Å; G374-P376 WeakPolarHBondContact O-CD 3.08Å; P376-L386 HydrophobicContact CB-CD2 4.32Å
377	A	93.3	Very high	76.4	Confident	9 Å²	9	57.2 Å²	57.2	7%	0.074	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.4	175.5	-174.1	0	0	0	0	0	112	L274 L275 L385 I387	L274-A377 CarbonylContact O-C 3.57Å; L274-A377 WeakPolarHBondContact O-CA 3.37Å; L275-A377 HydrophobicContact CD2-CB 3.61Å; A377-L385 HydrophobicContact CB-CB 4.26Å; A377-L385 PolarHBondContact N-O 2.92Å; A377-L385 PolarHBondContact O-N 2.86Å; A377-I387 HydrophobicContact CB-CD1 3.34Å; A377-I387 HydrophobicContact CB-CG1 3.82Å
378	R	92.7	Very high	79.2	Confident	116 Å²	116	52 Å²	52	44%	0.438	27%	0.272	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.8	153.3	170.9	-63.8	-177.2	-176	-89.9	-0.7	111.7	L274 G382 E383	L274-R378 WeakPolarHBondContact CB-O 3.31Å; L274-R378 PolarHBondContact N-O 3.04Å; L274-R378 PolarHBondContact O-N 2.88Å; R378-G382 PolarHBondContact NH1-O 2.87Å; R378-E383 WeakPolarHBondContact CA-O 3.33Å
379	N	89.7	Confident	81.7	Confident	26 Å²	26	47.2 Å²	47.2	14%	0.139	24%	0.239	C	C	.	.			trans	-91.5	179.7	163.2	67.3	24.4	0	0	0	111.5	K381 G382 E383 L385	N379-K381 PolarHBondContact O-N 2.88Å; N379-K381 WeakPolarHBondContact OD1-CB 3.47Å; N379-K381 PolarHBondContact OD1-N 3.1Å; N379-G382 WeakPolarHBondContact O-CA 3.21Å; N379-G382 PolarHBondContact O-N 3.47Å; N379-G382 PolarHBondContact OD1-N 3.5Å; N379-E383 PolarHBondContact ND2-OE2 2.76Å; N379-E383 PolarHBondContact OD1-N 3.41Å; N379-L385 HydrophobicContact CB-CD1 4.16Å
380	V	84.6	Confident	84.2	Confident	94 Å²	94	43 Å²	43	57%	0.57	22%	0.219	S	C	*	.	T	Hydrogen-bonded Turn	trans	-60.2	-26.2	-179.8	-67	0	0	0	0	115.2	D271 G382	D271-V380 HydrophobicContact CB-CG1 3.2Å; V380-G382 PolarHBondContact O-N 3.11Å
381	K	86.8	Confident	86.6	Confident	157 Å²	157	38.9 Å²	38.9	68%	0.683	20%	0.197	S	C	*	.	T	Hydrogen-bonded Turn	trans	-78.1	-11.7	176	-54.4	165.7	177.5	171.1	0	112	N379 E383	N379-K381 PolarHBondContact O-N 2.88Å; N379-K381 WeakPolarHBondContact OD1-CB 3.47Å; N379-K381 PolarHBondContact OD1-N 3.1Å; K381-E383 HydrophobicContact CB-CG 4.11Å; K381-E383 HydrophobicContact CD-CG 4.28Å; K381-E383 WeakPolarHBondContact CD-OE1 3.1Å; K381-E383 IonicContact NZ-OE1 3.44Å; K381-E383 PolarHBondContact NZ-OE1 3.47Å; K381-E383 IonicContact NZ-OE2 3.99Å
382	G	86.1	Confident	88.7	Confident	29 Å²	29	33.3 Å²	33.3	30%	0.299	17%	0.172	S	C	.	.			trans	92.4	-2	-175.6	0	0	0	0	0	114.7	R378 N379 V380	R378-G382 PolarHBondContact NH1-O 2.87Å; N379-G382 WeakPolarHBondContact O-CA 3.21Å; N379-G382 PolarHBondContact O-N 3.47Å; N379-G382 PolarHBondContact OD1-N 3.5Å; V380-G382 PolarHBondContact O-N 3.11Å
383	E	91.1	Very high	90.2	Very high	30 Å²	30	31.4 Å²	31.4	14%	0.14	16%	0.16	C	C	.	.			trans	-58.2	139.1	-175.1	-62.4	167.7	-177.7	0	0	111.3	N310 E312 R378 N379 K381	N310-E383 PolarHBondContact ND2-OE2 3.04Å; E312-E383 VanDerWaalsContact OE1-CA 3.23Å; E312-E383 WeakPolarHBondContact OE1-CA 3.32Å; R378-E383 WeakPolarHBondContact CA-O 3.33Å; N379-E383 PolarHBondContact ND2-OE2 2.76Å; N379-E383 PolarHBondContact OD1-N 3.41Å; K381-E383 HydrophobicContact CB-CG 4.11Å; K381-E383 HydrophobicContact CD-CG 4.28Å; K381-E383 WeakPolarHBondContact CD-OE1 3.1Å; K381-E383 IonicContact NZ-OE1 3.44Å; K381-E383 PolarHBondContact NZ-OE1 3.47Å; K381-E383 IonicContact NZ-OE2 3.99Å
384	R	92.6	Very high	91	Very high	104 Å²	104	31 Å²	31	39%	0.392	15%	0.154	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.9	125.5	177.1	-74.9	-175.7	69.9	-157	2.5	112.2	M311 E312 E369	M311-R384 HydrophobicContact CB-CB 4.14Å; M311-R384 HydrophobicContact CG-CB 4.26Å; M311-R384 PolarHBondContact N-O 3.41Å; M311-R384 HydrophobicContact SD-CB 3.97Å; M311-R384 PolarHBondContact SD-NH2 2.96Å; M311-R384 VanDerWaalsContact SD-NH2 3.41Å; E312-R384 PolarHBondContact OE1-N 2.84Å; E369-R384 IonicContact OE2-CZ 2.68Å; E369-R384 VanDerWaalsContact OE2-CZ 3.23Å; E369-R384 IonicContact OE2-NH1 2.81Å; E369-R384 PolarHBondContact OE2-NH1 2.85Å; E369-R384 IonicContact OE2-NH2 3.98Å; E369-R384 PolarHBondContact OE2-NH2 3.22Å
385	L	93.4	Very high	91.3	Very high	8 Å²	8	31.7 Å²	31.7	4%	0.042	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.6	147.8	175.5	-52.7	-179.7	0	0	0	111.8	L273 I308 H309 N310 A377 N379	L273-L385 HydrophobicContact CD2-CD1 3.65Å; I308-L385 HydrophobicContact CG2-CB 4.25Å; I308-L385 HydrophobicContact CG2-CD1 3.95Å; I308-L385 HydrophobicContact CG2-CD2 4.02Å; I308-L385 HydrophobicContact CG2-CG 4.31Å; H309-L385 CarbonylContact O-C 3.57Å; H309-L385 WeakPolarHBondContact O-CA 3.35Å; N310-L385 HydrophobicContact CB-CD2 3.74Å; A377-L385 HydrophobicContact CB-CB 4.26Å; A377-L385 PolarHBondContact N-O 2.92Å; A377-L385 PolarHBondContact O-N 2.86Å; N379-L385 HydrophobicContact CB-CD1 4.16Å
386	L	92.4	Very high	90.7	Very high	15 Å²	15	34.6 Å²	34.6	8%	0.079	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.8	129.7	160.4	-60.7	173.8	0	0	0	108.8	H309 M311 V372 P376 Y388	H309-L386 HydrophobicContact CB-CB 4.34Å; H309-L386 PolarHBondContact N-O 2.87Å; H309-L386 PolarHBondContact O-N 2.92Å; M311-L386 HydrophobicContact CE-CD1 3.97Å; M311-L386 HydrophobicContact CE-CG 4.33Å; M311-L386 HydrophobicContact CG-CD1 4.45Å; M311-L386 HydrophobicContact CG-CG 4.19Å; M311-L386 HydrophobicContact SD-CD1 4.1Å; M311-L386 HydrophobicContact SD-CD2 4.21Å; M311-L386 HydrophobicContact SD-CG 3.79Å; V372-L386 HydrophobicContact CG1-CD1 4.47Å; P376-L386 HydrophobicContact CB-CD2 4.32Å; L386-Y388 HydrophobicContact CB-CE2 3.85Å
387	I	93	Very high	89.6	Confident	0 Å²	0	33.1 Å²	33.1	0%	0	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.6	124.7	-175.3	-46.6	174.9	0	0	0	110.8	L273 L275 M306 G374 I375 A377 I389 F439	L273-I387 HydrophobicContact CB-CD1 4.07Å; L273-I387 HydrophobicContact CD1-CD1 3.87Å; L273-I387 HydrophobicContact CD2-CD1 4.47Å; L273-I387 HydrophobicContact CG-CD1 4.35Å; L275-I387 HydrophobicContact CD2-CD1 4.48Å; M306-I387 HydrophobicContact CE-CG2 4.45Å; M306-I387 HydrophobicContact CG-CG2 3.64Å; M306-I387 HydrophobicContact SD-CG2 3.94Å; G374-I387 CarbonylContact C-O 3.57Å; G374-I387 WeakPolarHBondContact CA-O 3.36Å; I375-I387 HydrophobicContact CB-CB 4.45Å; I375-I387 PolarHBondContact N-O 3.1Å; I375-I387 PolarHBondContact O-N 3.2Å; A377-I387 HydrophobicContact CB-CD1 3.34Å; A377-I387 HydrophobicContact CB-CG1 3.82Å; I387-I389 HydrophobicContact CG2-CG2 3.92Å; I387-F439 HydrophobicContact CD1-CE1 4.04Å
388	Y	92.9	Very high	88.1	Confident	0 Å²	0	33.7 Å²	33.7	0%	0	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.1	125.4	177.9	-63.3	-96.6	0	0	0	108.4	I231 M233 M306 G307 H309 C350 V372 G373 L386	I231-Y388 HydrophobicContact CD1-CD1 4.44Å; I231-Y388 HydrophobicContact CD1-CE1 3.55Å; I231-Y388 HydrophobicContact CD1-CE2 4.42Å; I231-Y388 WeakPolarHBondContact CD1-OH 3.42Å; I231-Y388 HydrophobicContact CG2-CE2 4.08Å; M233-Y388 HydrophobicContact CE-CD2 3.63Å; M233-Y388 HydrophobicContact CE-CE2 3.94Å; M233-Y388 HydrophobicContact CE-CG 4.24Å; M233-Y388 HydrophobicContact SD-CD2 4.07Å; M306-Y388 CarbonylContact C-O 3.45Å; M306-Y388 WeakPolarHBondContact CA-O 3.49Å; G307-Y388 PolarHBondContact N-O 3.49Å; G307-Y388 PolarHBondContact O-N 2.75Å; H309-Y388 HydrophobicContact CB-CE2 4.25Å; C350-Y388 HydrophobicContact CB-CD1 4.14Å; V372-Y388 WeakPolarHBondContact CG1-OH 3.38Å; V372-Y388 PolarHBondContact O-OH 3.27Å; G373-Y388 PolarHBondContact O-OH 3.44Å; L386-Y388 HydrophobicContact CB-CE2 3.85Å
389	I	94.2	Very high	86.3	Confident	4 Å²	4	37.1 Å²	37.1	2%	0.021	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.4	150.7	-175	53.4	168.3	0	0	0	113.5	L201 L283 L304 L305 M306 I375 I387 F439	L201-I389 HydrophobicContact CD1-CD1 3.97Å; L201-I389 HydrophobicContact CD2-CD1 3.92Å; L201-I389 HydrophobicContact CD2-CG1 4.04Å; L283-I389 HydrophobicContact CD1-CD1 3.45Å; L283-I389 VanDerWaalsContact CD1-CD1 3.45Å; L283-I389 HydrophobicContact CD2-CD1 4.33Å; L304-I389 HydrophobicContact CD1-CB 4.24Å; L304-I389 HydrophobicContact CD2-CG2 4.26Å; L304-I389 HydrophobicContact CG-CB 4.5Å; L304-I389 HydrophobicContact CG-CG2 4.44Å; L305-I389 VanDerWaalsContact O-CA 3.29Å; L305-I389 WeakPolarHBondContact O-CA 3.26Å; M306-I389 HydrophobicContact CB-CG2 3.99Å; M306-I389 HydrophobicContact CE-CG2 4.16Å; M306-I389 HydrophobicContact CG-CG2 3.89Å; I375-I389 HydrophobicContact CD1-CD1 3.66Å; I375-I389 HydrophobicContact CD1-CG1 4.11Å; I387-I389 HydrophobicContact CG2-CG2 3.92Å; I389-F439 HydrophobicContact CD1-CZ 4.34Å; I389-F439 HydrophobicContact CG2-CZ 4.26Å
390	G	95.1	Very high	84.4	Confident	1 Å²	1	39.8 Å²	39.8	1%	0.01	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-162.3	152.8	166.7	0	0	0	0	0	111.4	L201 L305	L201-G390 CarbonylContact O-C 3.52Å; L201-G390 WeakPolarHBondContact O-CA 3.33Å; L305-G390 PolarHBondContact N-O 2.93Å; L305-G390 PolarHBondContact O-N 3.39Å; L305-G390 VanDerWaalsContact O-N 3.15Å
391	I	96	Very high	82.7	Confident	0 Å²	0	39.4 Å²	39.4	0%	0	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82	135.1	173.3	-60.8	173.7	0	0	0	108.4	L201 L202 P203 D290 L294 Y302 S303 L304 I394 F430	L201-I391 HydrophobicContact CB-CD1 4.14Å; L201-I391 HydrophobicContact CB-CG1 3.95Å; L201-I391 PolarHBondContact O-N 2.9Å; L202-I391 HydrophobicContact CD2-CB 4.25Å; L202-I391 HydrophobicContact CD2-CD1 4.26Å; L202-I391 HydrophobicContact CD2-CG2 4.32Å; P203-I391 VanDerWaalsContact CD-O 3.23Å; P203-I391 WeakPolarHBondContact CD-O 3.32Å; P203-I391 WeakPolarHBondContact CG-O 3.44Å; D290-I391 HydrophobicContact CB-CD1 3.87Å; L294-I391 HydrophobicContact CD1-CD1 4.43Å; L294-I391 HydrophobicContact CD1-CG2 4Å; Y302-I391 HydrophobicContact CD2-CG2 3.71Å; Y302-I391 HydrophobicContact CG-CG2 4.15Å; S303-I391 CarbonylContact O-C 3.59Å; S303-I391 VanDerWaalsContact O-CA 3.3Å; S303-I391 WeakPolarHBondContact O-CA 3.28Å; L304-I391 HydrophobicContact CD1-CG1 3.96Å; I391-I394 HydrophobicContact CG2-CG2 3.75Å; I391-F430 HydrophobicContact CD1-CE1 4.38Å; I391-F430 HydrophobicContact CG1-CZ 4.32Å
392	I	92.6	Very high	80.8	Confident	2 Å²	2	36.5 Å²	36.5	1%	0.01	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.1	156.9	-168.1	53.6	155.8	0	0	0	112.7	L226 D238 Y302 S303 L305 I394 L588	L226-I392 HydrophobicContact CD1-CG2 3.7Å; D238-I392 WeakPolarHBondContact OD2-CD1 3.34Å; Y302-I392 WeakPolarHBondContact CA-O 3.22Å; Y302-I392 WeakPolarHBondContact CB-O 3.42Å; S303-I392 PolarHBondContact N-O 3.11Å; S303-I392 VanDerWaalsContact O-CG1 3.3Å; S303-I392 WeakPolarHBondContact O-CG1 3.4Å; S303-I392 PolarHBondContact O-N 3.29Å; L305-I392 HydrophobicContact CB-CD1 3.76Å; L305-I392 HydrophobicContact CB-CG1 3.99Å; L305-I392 HydrophobicContact CB-CG2 3.82Å; L305-I392 HydrophobicContact CD1-CD1 4.47Å; L305-I392 HydrophobicContact CD2-CG2 4.29Å; I392-I394 PolarHBondContact O-N 3.49Å; I392-L588 HydrophobicContact CB-CB 4.14Å; I392-L588 HydrophobicContact CB-CD1 3.61Å; I392-L588 HydrophobicContact CD1-CB 3.77Å; I392-L588 HydrophobicContact CG2-CB 4.36Å; I392-L588 HydrophobicContact CG2-CD1 4.05Å
393	D	89	Confident	78.9	Confident	9 Å²	9	43.9 Å²	43.9	5%	0.048	19%	0.192	C	C	.	.			trans	62.9	27.3	179.3	-71.9	-59.3	0	0	0	117.2	K173 L395 S587 L588	K173-D393 IonicContact NZ-OD1 2.66Å; K173-D393 PolarHBondContact NZ-OD1 2.94Å; D393-L395 PolarHBondContact O-N 3.33Å; D393-S587 VanDerWaalsContact OD2-C 3.29Å; D393-S587 VanDerWaalsContact OD2-CA 3.26Å; D393-S587 WeakPolarHBondContact OD2-CA 3.28Å; D393-L588 HydrophobicContact CB-CD1 4.31Å; D393-L588 VanDerWaalsContact CG-CD1 3.44Å; D393-L588 VanDerWaalsContact N-CD1 3.34Å; D393-L588 WeakPolarHBondContact OD1-CD1 3.49Å; D393-L588 WeakPolarHBondContact OD2-CD1 3.32Å; D393-L588 WeakPolarHBondContact OD2-CG 3.43Å; D393-L588 PolarHBondContact OD2-N 2.94Å
394	I	92.9	Very high	76.8	Confident	3 Å²	3	48.9 Å²	48.9	2%	0.015	22%	0.219	C	C	.	.	T	Hydrogen-bonded Turn	trans	-66.6	5.2	-177.8	71.2	160.3	0	0	0	116.3	L186 L202 P203 F205 L294 I299 I391 I392	L186-I394 HydrophobicContact CD2-CD1 4.16Å; L202-I394 HydrophobicContact CB-CD1 4.46Å; L202-I394 HydrophobicContact CD2-CD1 4.32Å; L202-I394 HydrophobicContact CD2-CG2 4.29Å; P203-I394 HydrophobicContact CG-CD1 4.35Å; P203-I394 HydrophobicContact CG-CG1 4.18Å; F205-I394 HydrophobicContact CE2-CD1 4.01Å; F205-I394 HydrophobicContact CZ-CD1 4.03Å; F205-I394 HydrophobicContact CZ-CG1 4.1Å; L294-I394 HydrophobicContact CD1-CG2 4.35Å; L294-I394 HydrophobicContact CD2-CB 3.75Å; L294-I394 HydrophobicContact CD2-CD1 4.36Å; L294-I394 HydrophobicContact CD2-CG2 3.65Å; I299-I394 VanDerWaalsContact CD1-O 3.32Å; I299-I394 WeakPolarHBondContact CD1-O 3.49Å; I299-I394 HydrophobicContact CG2-CB 4.25Å; I299-I394 WeakPolarHBondContact CG2-O 3.35Å; I391-I394 HydrophobicContact CG2-CG2 3.75Å; I392-I394 PolarHBondContact O-N 3.49Å
395	L	89	Confident	74.6	Confident	15 Å²	15	45.3 Å²	45.3	8%	0.079	21%	0.206	C	C	.	.	T	Hydrogen-bonded Turn	trans	-89.8	-2.1	-177.3	-59.5	-173.5	0	0	0	114	V175 E179 F182 L183 F205 D393	V175-L395 HydrophobicContact CG1-CD1 4.08Å; E179-L395 HydrophobicContact CB-CB 4.03Å; E179-L395 HydrophobicContact CB-CD1 4.29Å; E179-L395 HydrophobicContact CG-CB 4.15Å; F182-L395 VanDerWaalsContact CD1-O 3.29Å; F182-L395 WeakPolarHBondContact CD1-O 3.37Å; L183-L395 HydrophobicContact CB-CD2 4.01Å; L183-L395 HydrophobicContact CD1-CD2 4.09Å; L183-L395 HydrophobicContact CG-CD2 4.45Å; F205-L395 HydrophobicContact CZ-CD2 3.96Å; D393-L395 PolarHBondContact O-N 3.33Å
396	Q	76.1	Confident	72.4	Confident	61 Å²	61	51.4 Å²	51.4	29%	0.285	23%	0.234	S	C	.	.			trans	-93.9	99.1	-179.2	-60.7	-173.6	1.5	0	0	110.7
397	S	68.9	Low	70.3	Confident	13 Å²	13	55.2 Å²	55.2	9%	0.091	26%	0.262	C	S	.	.	B	Isolated β-bridge	trans	-98.6	124.7	179.9	-174.7	0	0	0	0	112.6	F297 R399 F400	F297-S397 PolarHBondContact O-OG 3.1Å; S397-R399 PolarHBondContact O-N 3.28Å; S397-R399 VanDerWaalsContact O-N 3.12Å; S397-F400 PolarHBondContact O-N 3.33Å
398	Y	60.5	Low	68.1	Low	20 Å²	20	63.9 Å²	63.9	8%	0.078	30%	0.295	C	S	.	.	G	3₁₀ helix	trans	-65.8	-14.5	-178.9	-178	-102.1	0	0	0	113.5	K298 M300 F400 I401 K402 E405 H421	K298-Y398 PolarHBondContact O-N 2.89Å; M300-Y398 HydrophobicContact CE-CD2 3.71Å; M300-Y398 HydrophobicContact CE-CE2 4.37Å; M300-Y398 HydrophobicContact CE-CG 3.93Å; Y398-F400 PolarHBondContact O-N 2.66Å; Y398-F400 VanDerWaalsContact O-N 3.08Å; Y398-I401 HydrophobicContact CD2-CB 4.02Å; Y398-I401 HydrophobicContact CD2-CD1 3.8Å; Y398-I401 HydrophobicContact CD2-CG1 4.45Å; Y398-I401 HydrophobicContact CD2-CG2 4.29Å; Y398-I401 HydrophobicContact CE2-CB 3.93Å; Y398-I401 HydrophobicContact CE2-CD1 4.17Å; Y398-I401 HydrophobicContact CE2-CG2 3.7Å; Y398-I401 PolarHBondContact O-N 2.89Å; Y398-I401 VanDerWaalsContact O-N 3.08Å; Y398-K402 HydrophobicContact CD1-CG 4.36Å; Y398-K402 HydrophobicContact CE1-CD 4.34Å; Y398-K402 HydrophobicContact CE1-CG 3.72Å; Y398-E405 VanDerWaalsContact OH-CD 3.29Å; Y398-E405 PolarHBondContact OH-OE1 3.4Å; Y398-E405 PolarHBondContact OH-OE2 3.2Å; Y398-H421 AromaticContact CE2-CD2 3.77Å; Y398-H421 AromaticContact CZ-CD2 3.63Å; Y398-H421 PolarHBondContact OH-CD2 3.48Å
399	R	55.5	Low	65.8	Low	188 Å²	188	69.1 Å²	69.1	71%	0.709	32%	0.317	S	S	*	.	G	3₁₀ helix	trans	-54.3	-28.8	175.8	-93.1	-170.3	178.5	-121	6.8	113.7	K298 S397	K298-R399 HydrophobicContact CB-CG 4.41Å; K298-R399 HydrophobicContact CG-CG 4.38Å; S397-R399 PolarHBondContact O-N 3.28Å; S397-R399 VanDerWaalsContact O-N 3.12Å
400	F	49.4	Very low	63.5	Low	82 Å²	82	73.1 Å²	73.1	36%	0.36	35%	0.351	S	S	.	.	G	3₁₀ helix	trans	-77.2	-32.8	179.3	-66.4	-77.3	0	0	0	113.3	F182 S397 Y398 K403	F182-F400 HydrophobicContact CB-CE2 4.43Å; S397-F400 PolarHBondContact O-N 3.33Å; Y398-F400 PolarHBondContact O-N 2.66Å; Y398-F400 VanDerWaalsContact O-N 3.08Å; F400-K403 PolarHBondContact O-N 2.92Å
401	I	50	Low	61.5	Low	87 Å²	87	79.8 Å²	79.8	45%	0.446	39%	0.386	S	S	.	.	H	α-helix	trans	-66	-40.5	179.9	-69.6	167.7	0	0	0	110.1	Y398 K403 L404 E405	Y398-I401 HydrophobicContact CD2-CB 4.02Å; Y398-I401 HydrophobicContact CD2-CD1 3.8Å; Y398-I401 HydrophobicContact CD2-CG1 4.45Å; Y398-I401 HydrophobicContact CD2-CG2 4.29Å; Y398-I401 HydrophobicContact CE2-CB 3.93Å; Y398-I401 HydrophobicContact CE2-CD1 4.17Å; Y398-I401 HydrophobicContact CE2-CG2 3.7Å; Y398-I401 PolarHBondContact O-N 2.89Å; Y398-I401 VanDerWaalsContact O-N 3.08Å; I401-K403 PolarHBondContact O-N 2.54Å; I401-K403 VanDerWaalsContact O-N 3.09Å; I401-L404 WeakPolarHBondContact O-CB 3.32Å; I401-L404 PolarHBondContact O-N 2.82Å; I401-E405 HydrophobicContact CG2-CG 3.94Å; I401-E405 PolarHBondContact O-N 3.02Å
402	K	47.2	Very low	58.9	Low	96 Å²	96	83.8 Å²	83.8	42%	0.417	41%	0.41	S	S	.	.	H	α-helix	trans	-58.1	-24.5	176.1	-77	-141.2	167.4	-158.9	0	115.2	Y398 L404 H406	Y398-K402 HydrophobicContact CD1-CG 4.36Å; Y398-K402 HydrophobicContact CE1-CD 4.34Å; Y398-K402 HydrophobicContact CE1-CG 3.72Å; K402-L404 VanDerWaalsContact C-N 3.33Å; K402-H406 WeakPolarHBondContact O-CB 3.46Å; K402-H406 PolarHBondContact O-CD2 3.04Å; K402-H406 VanDerWaalsContact O-CD2 3.27Å; K402-H406 PolarHBondContact O-N 2.7Å
403	K	44.4	Very low	56.4	Low	184 Å²	184	92.2 Å²	92.2	80%	0.8	45%	0.449	S	S	*	.	H	α-helix	trans	-72.4	-27.3	174.1	-113.6	-164.3	176.7	-164.3	0	112.9	F400 I401	F400-K403 PolarHBondContact O-N 2.92Å; I401-K403 PolarHBondContact O-N 2.54Å; I401-K403 VanDerWaalsContact O-N 3.09Å
404	L	47.5	Very low	54.3	Low	135 Å²	135	98.8 Å²	98.8	71%	0.707	48%	0.484	S	S	*	.	H	α-helix	trans	-83.5	-42.5	172.7	-167.5	66.3	0	0	0	110.4	I401 K402 H406 S407 W408	I401-L404 WeakPolarHBondContact O-CB 3.32Å; I401-L404 PolarHBondContact O-N 2.82Å; K402-L404 VanDerWaalsContact C-N 3.33Å; L404-H406 PolarHBondContact O-N 3.24Å; L404-S407 PolarHBondContact O-N 3.23Å; L404-W408 PolarHBondContact O-N 2.84Å; L404-W408 VanDerWaalsContact O-N 3.13Å
405	E	47.4	Very low	52.2	Low	29 Å²	29	101.3 Å²	101.3	14%	0.136	51%	0.511	C	S	.	.	H	α-helix	trans	-59.9	-39.6	175.8	-65.4	-166.1	150.1	0	0	113.2	Y398 I401 S407 W408 K409 H421	Y398-E405 VanDerWaalsContact OH-CD 3.29Å; Y398-E405 PolarHBondContact OH-OE1 3.4Å; Y398-E405 PolarHBondContact OH-OE2 3.2Å; I401-E405 HydrophobicContact CG2-CG 3.94Å; I401-E405 PolarHBondContact O-N 3.02Å; E405-S407 PolarHBondContact O-N 3.26Å; E405-W408 PolarHBondContact O-N 3.3Å; E405-W408 VanDerWaalsContact O-N 3.12Å; E405-K409 HydrophobicContact CB-CD 4.12Å; E405-K409 HydrophobicContact CB-CG 4.42Å; E405-K409 VanDerWaalsContact O-CB 3.32Å; E405-K409 WeakPolarHBondContact O-CB 3.45Å; E405-K409 WeakPolarHBondContact O-CG 3.42Å; E405-K409 PolarHBondContact O-N 2.98Å; E405-K409 IonicContact OE1-NZ 3.66Å; E405-K409 PolarHBondContact OE1-NZ 3.08Å; E405-K409 IonicContact OE2-NZ 2.65Å; E405-K409 PolarHBondContact OE2-NZ 3.39Å; E405-H421 IonicContact OE1-NE2 3.6Å
406	H	46.5	Very low	50	Low	136 Å²	136	107.8 Å²	107.8	63%	0.63	55%	0.546	S	S	*	.	H	α-helix	trans	-67.2	-22.9	179.9	-91.6	-72.6	0	0	0	113.4	K402 L404	K402-H406 WeakPolarHBondContact O-CB 3.46Å; K402-H406 PolarHBondContact O-CD2 3.04Å; K402-H406 VanDerWaalsContact O-CD2 3.27Å; K402-H406 PolarHBondContact O-N 2.7Å; L404-H406 PolarHBondContact O-N 3.24Å
407	S	47.5	Very low	48.1	Very low	94 Å²	94	110.4 Å²	110.4	66%	0.657	57%	0.566	S	S	*	*	H	α-helix	trans	-81.5	-30.7	170.1	-61.6	0	0	0	0	112.6	L404 E405	L404-S407 PolarHBondContact O-N 3.23Å; E405-S407 PolarHBondContact O-N 3.26Å
408	W	47.2	Very low	46.9	Very low	182 Å²	182	113.1 Å²	113.1	69%	0.689	58%	0.582	S	S	*	*	H	α-helix	trans	-88.9	-44.1	-176.6	-168.1	-83.9	0	0	0	113.8	L404 E405 A410 L411 V412	L404-W408 PolarHBondContact O-N 2.84Å; L404-W408 VanDerWaalsContact O-N 3.13Å; E405-W408 PolarHBondContact O-N 3.3Å; E405-W408 VanDerWaalsContact O-N 3.12Å; W408-A410 PolarHBondContact O-N 3.45Å; W408-L411 WeakPolarHBondContact O-CB 3.49Å; W408-L411 PolarHBondContact O-N 3.08Å; W408-V412 PolarHBondContact O-N 2.81Å
409	K	45.6	Very low	46	Very low	110 Å²	110	116.6 Å²	116.6	48%	0.478	61%	0.609	S	S	.	*	T	Hydrogen-bonded Turn	trans	-73.9	-4.7	178.2	-62.5	-177.8	-177.9	170.9	0	113.4	E405 L411	E405-K409 HydrophobicContact CB-CD 4.12Å; E405-K409 HydrophobicContact CB-CG 4.42Å; E405-K409 VanDerWaalsContact O-CB 3.32Å; E405-K409 WeakPolarHBondContact O-CB 3.45Å; E405-K409 WeakPolarHBondContact O-CG 3.42Å; E405-K409 PolarHBondContact O-N 2.98Å; E405-K409 IonicContact OE1-NZ 3.66Å; E405-K409 PolarHBondContact OE1-NZ 3.08Å; E405-K409 IonicContact OE2-NZ 2.65Å; E405-K409 PolarHBondContact OE2-NZ 3.39Å; K409-L411 VanDerWaalsContact C-N 3.32Å
410	A	46.3	Very low	45.4	Very low	88 Å²	88	112.4 Å²	112.4	73%	0.727	60%	0.604	S	S	*	*	T	Hydrogen-bonded Turn	trans	-79.9	-15.2	164.4	0	0	0	0	0	112.7	W408	W408-A410 PolarHBondContact O-N 3.45Å
411	L	53.2	Low	45.7	Very low	141 Å²	141	111 Å²	111	74%	0.738	60%	0.599	S	S	*	*	T	Hydrogen-bonded Turn	trans	-106.4	-24.2	-172.6	-169.8	63.9	0	0	0	113.5	W408 K409	W408-L411 WeakPolarHBondContact O-CB 3.49Å; W408-L411 PolarHBondContact O-N 3.08Å; K409-L411 VanDerWaalsContact C-N 3.32Å
412	V	40.9	Very low	47	Very low	84 Å²	84	115 Å²	115	51%	0.509	61%	0.608	S	S	.	*	S	Bend	trans	-140.3	133.7	-175.9	-154.7	0	0	0	0	111.1	W408	W408-V412 PolarHBondContact O-N 2.81Å
413	H	40.5	Very low	48.7	Very low	179 Å²	179	111.2 Å²	111.2	83%	0.829	59%	0.593	S	S	*	*			trans	-63.3	167.6	163.6	-68.9	4.8	0	0	0	110.2
414	D	43.4	Very low	50.8	Low	147 Å²	147	103.5 Å²	103.5	79%	0.786	57%	0.566	S	S	*	*			cis	-146.1	169.3	20.5	-155.7	-5.8	0	0	0	112.5	D416	D414-D416 PolarHBondContact O-N 3Å
415	G	49.3	Very low	52.8	Low	56 Å²	56	102.6 Å²	102.6	58%	0.577	56%	0.556	S	S	*	*	T	Hydrogen-bonded Turn	trans	-99.3	40.9	-155.2	0	0	0	0	0	119
416	D	41.8	Very low	54.9	Low	152 Å²	152	101.6 Å²	101.6	81%	0.813	55%	0.551	S	S	*	*	T	Hydrogen-bonded Turn	trans	-140.3	4.1	171.2	-137.6	-0.5	0	0	0	117.9	D414 V418	D414-D416 PolarHBondContact O-N 3Å; D416-V418 PolarHBondContact O-N 3.1Å
417	T	37.9	Very low	57.2	Low	116 Å²	116	95.2 Å²	95.2	71%	0.712	52%	0.522	S	S	*	.			trans	-78.4	21.8	170	52.9	0	0	0	0	113.3	S419	T417-S419 PolarHBondContact O-N 3.49Å
418	V	42.3	Very low	59.5	Low	70 Å²	70	96 Å²	96	42%	0.424	52%	0.515	S	S	.	.	G	3₁₀ helix	trans	-90.7	-2.9	-159.2	-166.6	0	0	0	0	113.5	D416 V420 H421	D416-V418 PolarHBondContact O-N 3.1Å; V418-V420 VanDerWaalsContact C-N 3.27Å; V418-V420 PolarHBondContact O-N 3.26Å; V418-H421 PolarHBondContact O-N 2.82Å
419	S	41.6	Very low	61.8	Low	92 Å²	92	90.3 Å²	90.3	64%	0.643	49%	0.494	S	S	*	.	G	3₁₀ helix	trans	-62.9	-26.9	179.8	61.4	0	0	0	0	114.4	T417 H421	T417-S419 PolarHBondContact O-N 3.49Å; S419-H421 PolarHBondContact O-N 3.11Å
420	V	44.3	Very low	64.2	Low	100 Å²	100	85.1 Å²	85.1	61%	0.606	47%	0.471	S	S	*	.	G	3₁₀ helix	trans	-66.1	-18.3	-176.9	-174	0	0	0	0	113.2	V418	V418-V420 VanDerWaalsContact C-N 3.27Å; V418-V420 PolarHBondContact O-N 3.26Å
421	H	55.7	Low	66.6	Low	54 Å²	54	83.4 Å²	83.4	25%	0.25	45%	0.448	C	S	.	.			trans	-113.7	43.8	-155.8	-59.8	116.4	0	0	0	115.8	Y398 E405 V418 S419	Y398-H421 AromaticContact CE2-CD2 3.77Å; Y398-H421 AromaticContact CZ-CD2 3.63Å; Y398-H421 PolarHBondContact OH-CD2 3.48Å; E405-H421 IonicContact OE1-NE2 3.6Å; V418-H421 PolarHBondContact O-N 2.82Å; S419-H421 PolarHBondContact O-N 3.11Å
422	R	76	Confident	68.7	Low	171 Å²	171	81.2 Å²	81.2	65%	0.645	43%	0.434	S	S	*	.			trans	-133.1	108.6	178.8	-62.3	-172.9	-174.7	-164	2.7	112.9	G424 F425 Y426	R422-G424 PolarHBondContact O-N 2.84Å; R422-G424 VanDerWaalsContact O-N 3.08Å; R422-F425 HydrophobicContact CB-CB 4.11Å; R422-F425 WeakPolarHBondContact O-CB 3.4Å; R422-F425 PolarHBondContact O-N 3.36Å; R422-Y426 PolarHBondContact O-N 3.02Å; R422-Y426 VanDerWaalsContact O-N 3.16Å
423	P	83.8	Confident	71.4	Confident	16 Å²	16	78.3 Å²	78.3	10%	0.104	42%	0.415	C	S	.	.	H	α-helix	trans	-57	-25.2	175.8	-27.1	33.5	0	0	0	115	K298 M300 A427	K298-P423 HydrophobicContact CB-CG 4.2Å; K298-P423 HydrophobicContact CD-CG 4.15Å; M300-P423 HydrophobicContact CG-CB 3.95Å; M300-P423 HydrophobicContact CG-CG 3.86Å; M300-P423 HydrophobicContact SD-CB 4.14Å; M300-P423 HydrophobicContact SD-CG 3.72Å; P423-A427 VanDerWaalsContact O-CB 3.31Å; P423-A427 WeakPolarHBondContact O-CB 3.23Å; P423-A427 PolarHBondContact O-N 3.42Å
424	G	87.6	Confident	74.1	Confident	21 Å²	21	69.8 Å²	69.8	22%	0.216	38%	0.375	C	S	.	.	H	α-helix	trans	-68.3	-43.4	173	0	0	0	0	0	113	R422 Y426 A427 E428	R422-G424 PolarHBondContact O-N 2.84Å; R422-G424 VanDerWaalsContact O-N 3.08Å; G424-Y426 VanDerWaalsContact C-N 3.33Å; G424-Y426 PolarHBondContact O-N 3.41Å; G424-A427 PolarHBondContact O-N 2.72Å; G424-E428 WeakPolarHBondContact O-CB 3.48Å; G424-E428 PolarHBondContact O-N 2.89Å
425	F	90	Very high	76.7	Confident	116 Å²	116	63.1 Å²	63.1	51%	0.509	34%	0.34	S	S	.	.	H	α-helix	trans	-64.7	-38.9	174.8	175.4	-106.6	0	0	0	111.4	R422 R429	R422-F425 HydrophobicContact CB-CB 4.11Å; R422-F425 WeakPolarHBondContact O-CB 3.4Å; R422-F425 PolarHBondContact O-N 3.36Å; F425-R429 WeakPolarHBondContact O-CB 3.48Å; F425-R429 PolarHBondContact O-N 3.19Å
426	Y	91.8	Very high	78.9	Confident	8 Å²	8	65.3 Å²	65.3	3%	0.031	34%	0.339	C	S	.	.	H	α-helix	trans	-59.3	-51.7	172.4	-169	-74.1	0	0	0	111.3	K240 M300 D301 Y302 R422 G424 R429 F430	K240-Y426 WeakPolarHBondContact CB-OH 3.36Å; M300-Y426 HydrophobicContact CB-CD2 4.18Å; M300-Y426 HydrophobicContact CB-CG 4.3Å; D301-Y426 VanDerWaalsContact CA-CZ 3.43Å; D301-Y426 VanDerWaalsContact CA-OH 3.27Å; D301-Y426 WeakPolarHBondContact CA-OH 3.32Å; D301-Y426 HydrophobicContact CB-CE2 4.41Å; D301-Y426 VanDerWaalsContact N-CZ 3.26Å; D301-Y426 WeakPolarHBondContact OD1-CE2 3.21Å; Y302-Y426 HydrophobicContact CD1-CD1 4.31Å; Y302-Y426 AromaticContact CD1-CE1 3.95Å; Y302-Y426 HydrophobicContact CD1-CE1 3.95Å; Y302-Y426 HydrophobicContact CD2-CE1 4.08Å; Y302-Y426 AromaticContact CE1-CD1 3.7Å; Y302-Y426 HydrophobicContact CE1-CD1 3.7Å; Y302-Y426 AromaticContact CE1-CE1 3.76Å; Y302-Y426 HydrophobicContact CE1-CE1 3.76Å; Y302-Y426 HydrophobicContact CE2-CD1 4.27Å; Y302-Y426 AromaticContact CE2-CE1 3.89Å; Y302-Y426 HydrophobicContact CE2-CE1 3.89Å; Y302-Y426 HydrophobicContact CG-CE1 4.13Å; Y302-Y426 AromaticContact CZ-CD1 3.69Å; Y302-Y426 AromaticContact CZ-CE1 3.74Å; Y302-Y426 PolarHBondContact O-OH 2.74Å; R422-Y426 PolarHBondContact O-N 3.02Å; R422-Y426 VanDerWaalsContact O-N 3.16Å; G424-Y426 VanDerWaalsContact C-N 3.33Å; G424-Y426 PolarHBondContact O-N 3.41Å; Y426-R429 PolarHBondContact O-N 2.94Å; Y426-F430 HydrophobicContact CE1-CB 4.36Å; Y426-F430 HydrophobicContact CE1-CD2 4.14Å; Y426-F430 VanDerWaalsContact O-CB 3.24Å; Y426-F430 WeakPolarHBondContact O-CB 3.49Å; Y426-F430 PolarHBondContact O-N 3.22Å
427	A	94.3	Very high	81.5	Confident	3 Å²	3	60.3 Å²	60.3	3%	0.025	31%	0.314	C	S	.	.	H	α-helix	trans	-62.6	-42.6	-178.1	0	0	0	0	0	112.8	C291 Q295 Y302 P423 G424 Q431	C291-A427 HydrophobicContact CB-CB 4.14Å; Q295-A427 HydrophobicContact CB-CB 4.26Å; Y302-A427 WeakPolarHBondContact OH-CA 3.32Å; Y302-A427 WeakPolarHBondContact OH-CB 3.44Å; P423-A427 VanDerWaalsContact O-CB 3.31Å; P423-A427 WeakPolarHBondContact O-CB 3.23Å; P423-A427 PolarHBondContact O-N 3.42Å; G424-A427 PolarHBondContact O-N 2.72Å; A427-Q431 WeakPolarHBondContact O-CB 3.39Å; A427-Q431 PolarHBondContact O-N 2.82Å
428	E	95.4	Very high	84.3	Confident	109 Å²	109	54.8 Å²	54.8	51%	0.509	28%	0.28	S	S	.	.	H	α-helix	trans	-64	-51.2	176.5	176.8	170.1	-154.7	0	0	111.7	G424 F430 Q431 Q432	G424-E428 WeakPolarHBondContact O-CB 3.48Å; G424-E428 PolarHBondContact O-N 2.89Å; E428-F430 VanDerWaalsContact C-N 3.29Å; E428-F430 PolarHBondContact O-N 2.83Å; E428-Q431 PolarHBondContact O-N 2.87Å; E428-Q432 HydrophobicContact CG-CG 4.33Å; E428-Q432 VanDerWaalsContact CG-NE2 3.27Å; E428-Q432 WeakPolarHBondContact O-CB 3.43Å; E428-Q432 VanDerWaalsContact O-CG 3.3Å; E428-Q432 WeakPolarHBondContact O-CG 3.22Å; E428-Q432 PolarHBondContact O-N 3.28Å; E428-Q432 PolarHBondContact OE1-NE2 3.1Å; E428-Q432 VanDerWaalsContact OE1-NE2 3.1Å
429	R	95.5	Very high	86.9	Confident	64 Å²	64	51.5 Å²	51.5	24%	0.242	26%	0.26	C	S	.	.	H	α-helix	trans	-57.3	-43.2	177.3	-171.9	-161.8	75	-137.6	-4.2	111.6	K240 G241 F425 Y426 F433	K240-R429 PolarHBondContact O-NH2 2.88Å; G241-R429 WeakPolarHBondContact O-CD 3.46Å; G241-R429 VanDerWaalsContact O-CG 3.28Å; G241-R429 WeakPolarHBondContact O-CG 3.41Å; G241-R429 PolarHBondContact O-NE 3.36Å; F425-R429 WeakPolarHBondContact O-CB 3.48Å; F425-R429 PolarHBondContact O-N 3.19Å; Y426-R429 PolarHBondContact O-N 2.94Å; R429-F433 WeakPolarHBondContact O-CB 3.27Å; R429-F433 PolarHBondContact O-N 2.98Å
430	F	97.1	Very high	89.4	Confident	0 Å²	0	50 Å²	50	0%	0	24%	0.242	C	C	.	.	H	α-helix	trans	-61.2	-54.3	175.6	-177	-83.9	0	0	0	111.2	I287 C291 Y302 L304 I391 Y426 E428 Q432 F433 M434	I287-F430 HydrophobicContact CG2-CD1 4.42Å; I287-F430 HydrophobicContact CG2-CE1 4.31Å; C291-F430 VanDerWaalsContact SG-CD1 3.59Å; Y302-F430 AromaticContact CD2-CD2 3.99Å; Y302-F430 HydrophobicContact CD2-CD2 3.99Å; Y302-F430 HydrophobicContact CD2-CE1 4.34Å; Y302-F430 AromaticContact CD2-CE2 3.66Å; Y302-F430 HydrophobicContact CD2-CE2 3.66Å; Y302-F430 HydrophobicContact CD2-CG 4.45Å; Y302-F430 AromaticContact CD2-CZ 3.85Å; Y302-F430 HydrophobicContact CD2-CZ 3.85Å; Y302-F430 HydrophobicContact CE2-CB 4.46Å; Y302-F430 AromaticContact CE2-CD1 3.91Å; Y302-F430 HydrophobicContact CE2-CD1 3.91Å; Y302-F430 AromaticContact CE2-CD2 3.8Å; Y302-F430 HydrophobicContact CE2-CD2 3.8Å; Y302-F430 AromaticContact CE2-CE1 3.97Å; Y302-F430 HydrophobicContact CE2-CE1 3.97Å; Y302-F430 AromaticContact CE2-CE2 3.86Å; Y302-F430 HydrophobicContact CE2-CE2 3.86Å; Y302-F430 AromaticContact CE2-CG 3.82Å; Y302-F430 HydrophobicContact CE2-CG 3.82Å; Y302-F430 AromaticContact CE2-CZ 3.93Å; Y302-F430 HydrophobicContact CE2-CZ 3.93Å; Y302-F430 WeakPolarHBondContact O-CE2 3.3Å; L304-F430 HydrophobicContact CB-CE2 4.39Å; L304-F430 HydrophobicContact CB-CZ 3.86Å; I391-F430 HydrophobicContact CD1-CE1 4.38Å; I391-F430 HydrophobicContact CG1-CZ 4.32Å; Y426-F430 HydrophobicContact CE1-CB 4.36Å; Y426-F430 HydrophobicContact CE1-CD2 4.14Å; Y426-F430 VanDerWaalsContact O-CB 3.24Å; Y426-F430 WeakPolarHBondContact O-CB 3.49Å; Y426-F430 PolarHBondContact O-N 3.22Å; E428-F430 VanDerWaalsContact C-N 3.29Å; E428-F430 PolarHBondContact O-N 2.83Å; F430-Q432 PolarHBondContact O-N 2.99Å; F430-F433 PolarHBondContact O-N 3.07Å; F430-M434 HydrophobicContact CD1-CE 4.32Å; F430-M434 HydrophobicContact CD1-CG 4.21Å; F430-M434 HydrophobicContact CD2-CE 3.74Å; F430-M434 HydrophobicContact CE1-CE 4.14Å; F430-M434 HydrophobicContact CE1-CG 4.06Å; F430-M434 HydrophobicContact CE2-CE 3.53Å; F430-M434 HydrophobicContact CG-CE 4.14Å; F430-M434 HydrophobicContact CZ-CE 3.76Å; F430-M434 HydrophobicContact CZ-CG 4.49Å; F430-M434 WeakPolarHBondContact O-CG 3.39Å; F430-M434 PolarHBondContact O-N 2.79Å
431	Q	97	Very high	91.7	Very high	52 Å²	52	49.7 Å²	49.7	24%	0.243	23%	0.232	C	C	.	.	H	α-helix	trans	-58.6	-46.5	180	-177.6	-169.9	-26.9	0	0	111.8	I287 A427 E428 F433 M434 C435	I287-Q431 HydrophobicContact CG2-CB 4.39Å; I287-Q431 HydrophobicContact CG2-CG 4.25Å; A427-Q431 WeakPolarHBondContact O-CB 3.39Å; A427-Q431 PolarHBondContact O-N 2.82Å; E428-Q431 PolarHBondContact O-N 2.87Å; Q431-F433 PolarHBondContact O-N 2.84Å; Q431-M434 PolarHBondContact O-N 2.94Å; Q431-C435 WeakPolarHBondContact O-CB 3.48Å; Q431-C435 PolarHBondContact O-N 3.06Å
432	Q	96.8	Very high	93.3	Very high	95 Å²	95	50.1 Å²	50.1	44%	0.444	24%	0.236	S	C	.	.	H	α-helix	trans	-61.1	-44.5	179.2	-72.2	-179.1	13.1	0	0	111.4	E428 F430 N436	E428-Q432 HydrophobicContact CG-CG 4.33Å; E428-Q432 VanDerWaalsContact CG-NE2 3.27Å; E428-Q432 WeakPolarHBondContact O-CB 3.43Å; E428-Q432 VanDerWaalsContact O-CG 3.3Å; E428-Q432 WeakPolarHBondContact O-CG 3.22Å; E428-Q432 PolarHBondContact O-N 3.28Å; E428-Q432 PolarHBondContact OE1-NE2 3.1Å; E428-Q432 VanDerWaalsContact OE1-NE2 3.1Å; F430-Q432 PolarHBondContact O-N 2.99Å; Q432-N436 WeakPolarHBondContact O-CB 3.27Å; Q432-N436 VanDerWaalsContact O-CG 3.28Å; Q432-N436 PolarHBondContact O-N 3.21Å; Q432-N436 PolarHBondContact O-ND2 3.41Å
433	F	97.6	Very high	93.5	Very high	23 Å²	23	46.9 Å²	46.9	10%	0.101	24%	0.237	C	C	.	.	H	α-helix	trans	-62.8	-47.1	177.7	-176.4	-110.2	0	0	0	112.3	L239 G241 D262 I266 R429 F430 Q431 C435 T437 V438	L239-F433 HydrophobicContact CB-CE1 4.26Å; L239-F433 HydrophobicContact CD2-CE1 4.24Å; G241-F433 VanDerWaalsContact CA-CD1 3.49Å; D262-F433 HydrophobicContact CB-CE1 4.29Å; D262-F433 HydrophobicContact CB-CZ 4.09Å; D262-F433 WeakPolarHBondContact OD1-CE1 3.41Å; I266-F433 HydrophobicContact CD1-CE2 3.86Å; I266-F433 HydrophobicContact CD1-CZ 4.17Å; I266-F433 HydrophobicContact CG1-CE2 4Å; I266-F433 HydrophobicContact CG1-CZ 4.15Å; R429-F433 WeakPolarHBondContact O-CB 3.27Å; R429-F433 PolarHBondContact O-N 2.98Å; F430-F433 PolarHBondContact O-N 3.07Å; Q431-F433 PolarHBondContact O-N 2.84Å; F433-C435 PolarHBondContact O-N 3Å; F433-T437 HydrophobicContact CD2-CG2 4.17Å; F433-T437 HydrophobicContact CE2-CG2 3.7Å; F433-T437 HydrophobicContact CZ-CG2 4.4Å; F433-T437 WeakPolarHBondContact O-CA 3.39Å; F433-T437 WeakPolarHBondContact O-CB 3.47Å; F433-T437 PolarHBondContact O-N 3.07Å; F433-V438 HydrophobicContact CD1-CG2 3.66Å; F433-V438 HydrophobicContact CE1-CG2 3.4Å; F433-V438 VanDerWaalsContact CE1-CG2 3.4Å; F433-V438 HydrophobicContact CG-CG2 4.37Å; F433-V438 HydrophobicContact CZ-CG2 3.91Å; F433-V438 PolarHBondContact O-N 2.75Å; F433-V438 VanDerWaalsContact O-N 3.07Å
434	M	97.8	Very high	93	Very high	0 Å²	0	53.9 Å²	53.9	0%	0	27%	0.272	C	S	.	.	I	π-helix	trans	-62.7	-44.6	179.7	-57.3	-45.2	159.4	0	0	111.7	L239 I287 L304 F430 Q431 V438 F439	L239-M434 HydrophobicContact CB-CE 3.68Å; L239-M434 HydrophobicContact CB-SD 4.09Å; L239-M434 HydrophobicContact CD1-SD 4.4Å; L239-M434 WeakPolarHBondContact O-CE 3.35Å; I287-M434 HydrophobicContact CD1-CB 3.92Å; L304-M434 HydrophobicContact CB-CE 3.82Å; L304-M434 HydrophobicContact CB-SD 4.05Å; L304-M434 HydrophobicContact CD2-CG 4.21Å; L304-M434 HydrophobicContact CD2-SD 3.8Å; F430-M434 HydrophobicContact CD1-CE 4.32Å; F430-M434 HydrophobicContact CD1-CG 4.21Å; F430-M434 HydrophobicContact CD2-CE 3.74Å; F430-M434 HydrophobicContact CE1-CE 4.14Å; F430-M434 HydrophobicContact CE1-CG 4.06Å; F430-M434 HydrophobicContact CE2-CE 3.53Å; F430-M434 HydrophobicContact CG-CE 4.14Å; F430-M434 HydrophobicContact CZ-CE 3.76Å; F430-M434 HydrophobicContact CZ-CG 4.49Å; F430-M434 WeakPolarHBondContact O-CG 3.39Å; F430-M434 PolarHBondContact O-N 2.79Å; Q431-M434 PolarHBondContact O-N 2.94Å; M434-V438 HydrophobicContact SD-CG2 4Å; M434-F439 HydrophobicContact CB-CD2 4.46Å; M434-F439 VanDerWaalsContact O-CD2 3.28Å; M434-F439 WeakPolarHBondContact O-CD2 3.35Å; M434-F439 PolarHBondContact O-N 3.11Å
435	C	96.8	Very high	91.8	Very high	8 Å²	8	62.1 Å²	62.1	5%	0.054	30%	0.302	C	S	.	.	I	π-helix	trans	-85	-22.2	-174	-73.2	0	0	0	0	115.3	Y280 C284 Q431 F433 F439	Y280-C435 WeakPolarHBondContact CE2-O 3.46Å; Y280-C435 PolarHBondContact OH-O 3Å; C284-C435 WeakPolarHBondContact CA-SG 3.39Å; C284-C435 HydrophobicContact CB-CB 4.25Å; C284-C435 WeakPolarHBondContact CB-SG 3.44Å; C284-C435 WeakPolarHBondContact SG-CB 3.19Å; C284-C435 CovalentContact SG-SG 2.04Å; C284-C435 PolarHBondContact SG-SG 3.42Å; Q431-C435 WeakPolarHBondContact O-CB 3.48Å; Q431-C435 PolarHBondContact O-N 3.06Å; F433-C435 PolarHBondContact O-N 3Å; C435-F439 CarbonylContact C-O 3.6Å
436	N	95.7	Very high	89.9	Confident	102 Å²	102	62.5 Å²	62.5	55%	0.545	32%	0.317	S	S	.	.	I	π-helix	trans	-108.4	-27.4	-176.3	-55.2	-20.6	0	0	0	113	Q432	Q432-N436 WeakPolarHBondContact O-CB 3.27Å; Q432-N436 VanDerWaalsContact O-CG 3.28Å; Q432-N436 PolarHBondContact O-N 3.21Å; Q432-N436 PolarHBondContact O-ND2 3.41Å
437	T	96	Very high	87.6	Confident	47 Å²	47	67.3 Å²	67.3	29%	0.288	35%	0.351	S	S	.	.	I	π-helix	trans	-108.2	-52.7	-177.9	-50.3	0	0	0	0	111.9	I266 F433 K440	I266-T437 HydrophobicContact CG1-CG2 4.38Å; F433-T437 HydrophobicContact CD2-CG2 4.17Å; F433-T437 HydrophobicContact CE2-CG2 3.7Å; F433-T437 HydrophobicContact CZ-CG2 4.4Å; F433-T437 WeakPolarHBondContact O-CA 3.39Å; F433-T437 WeakPolarHBondContact O-CB 3.47Å; F433-T437 PolarHBondContact O-N 3.07Å; T437-K440 VanDerWaalsContact O-CE 3.24Å; T437-K440 WeakPolarHBondContact O-CE 3.43Å
438	V	97.1	Very high	85.7	Confident	0 Å²	0	72.7 Å²	72.7	0%	0	39%	0.386	C	S	.	.	I	π-helix	trans	-75.9	-52.2	-170.4	178.4	0	0	0	0	111.9	L239 F265 L273 M306 F433 M434	L239-V438 HydrophobicContact CD1-CG1 3.86Å; L239-V438 HydrophobicContact CD1-CG2 3.87Å; F265-V438 HydrophobicContact CD1-CG2 4.39Å; F265-V438 HydrophobicContact CE1-CB 4.22Å; F265-V438 HydrophobicContact CE1-CG1 4.31Å; F265-V438 HydrophobicContact CE1-CG2 4.12Å; F265-V438 HydrophobicContact CE2-CG1 3.9Å; F265-V438 HydrophobicContact CZ-CB 4.07Å; F265-V438 HydrophobicContact CZ-CG1 3.69Å; F265-V438 HydrophobicContact CZ-CG2 4.33Å; L273-V438 PolarHBondContact N-O 2.85Å; M306-V438 HydrophobicContact CE-CG1 3.45Å; M306-V438 VanDerWaalsContact CE-CG1 3.45Å; F433-V438 HydrophobicContact CD1-CG2 3.66Å; F433-V438 HydrophobicContact CE1-CG2 3.4Å; F433-V438 VanDerWaalsContact CE1-CG2 3.4Å; F433-V438 HydrophobicContact CG-CG2 4.37Å; F433-V438 HydrophobicContact CZ-CG2 3.91Å; F433-V438 PolarHBondContact O-N 2.75Å; F433-V438 VanDerWaalsContact O-N 3.07Å; M434-V438 HydrophobicContact SD-CG2 4Å
439	F	96.5	Very high	83.5	Confident	0 Å²	0	72.7 Å²	72.7	0%	0	40%	0.398	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.2	140.6	175.2	-57.2	-70	0	0	0	110.1	L273 L275 Y280 L283 L304 M306 I387 I389 M434 C435	L273-F439 HydrophobicContact CB-CD1 4.26Å; L273-F439 HydrophobicContact CD1-CE1 4.45Å; L273-F439 WeakPolarHBondContact O-CA 3.35Å; L275-F439 HydrophobicContact CD1-CB 4.03Å; L275-F439 HydrophobicContact CD1-CD1 3.73Å; L275-F439 HydrophobicContact CD1-CE1 4.49Å; L275-F439 HydrophobicContact CD1-CG 4.06Å; L275-F439 HydrophobicContact CG-CD1 4.27Å; Y280-F439 HydrophobicContact CD2-CB 4.39Å; L283-F439 HydrophobicContact CD2-CD1 3.96Å; L283-F439 HydrophobicContact CD2-CD2 3.65Å; L283-F439 HydrophobicContact CD2-CE1 3.96Å; L283-F439 HydrophobicContact CD2-CE2 3.67Å; L283-F439 HydrophobicContact CD2-CG 3.8Å; L283-F439 HydrophobicContact CD2-CZ 3.8Å; L304-F439 HydrophobicContact CD2-CE2 3.94Å; L304-F439 HydrophobicContact CD2-CZ 4.28Å; M306-F439 HydrophobicContact CE-CE1 3.81Å; M306-F439 HydrophobicContact CE-CE2 4.11Å; M306-F439 HydrophobicContact CE-CZ 3.36Å; I387-F439 HydrophobicContact CD1-CE1 4.04Å; I389-F439 HydrophobicContact CD1-CZ 4.34Å; I389-F439 HydrophobicContact CG2-CZ 4.26Å; M434-F439 HydrophobicContact CB-CD2 4.46Å; M434-F439 VanDerWaalsContact O-CD2 3.28Å; M434-F439 WeakPolarHBondContact O-CD2 3.35Å; M434-F439 PolarHBondContact O-N 3.11Å; C435-F439 CarbonylContact C-O 3.6Å
440	K	94.9	Very high	81.4	Confident	60 Å²	60	79.7 Å²	79.7	26%	0.261	43%	0.43	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.8	155	175.2	-57.3	-175.1	-161	159.6	0	110.2	P270 D271 L273 L274 L275 T437	P270-K440 PolarHBondContact O-NZ 2.76Å; D271-K440 VanDerWaalsContact O-CD 3.23Å; D271-K440 WeakPolarHBondContact O-CD 3.43Å; D271-K440 WeakPolarHBondContact O-CE 3.43Å; D271-K440 PolarHBondContact O-NZ 3.15Å; L273-K440 PolarHBondContact O-N 2.86Å; L274-K440 WeakPolarHBondContact CA-O 3.49Å; L274-K440 HydrophobicContact CD2-CB 4.25Å; L275-K440 PolarHBondContact N-O 2.83Å; T437-K440 VanDerWaalsContact O-CE 3.24Å; T437-K440 WeakPolarHBondContact O-CE 3.43Å
441	K	93.6	Very high	79	Confident	95 Å²	95	89 Å²	89	41%	0.413	47%	0.47	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.7	137.1	174.8	-67	-177.2	176.7	-177.4	0	110.4	Y280 N281 P443	Y280-K441 HydrophobicContact CD1-CD 4.06Å; Y280-K441 HydrophobicContact CD1-CG 3.7Å; Y280-K441 HydrophobicContact CD2-CG 3.84Å; Y280-K441 HydrophobicContact CE1-CD 4.32Å; Y280-K441 HydrophobicContact CE1-CG 4.12Å; Y280-K441 HydrophobicContact CE2-CG 4.21Å; Y280-K441 HydrophobicContact CG-CD 4.4Å; Y280-K441 HydrophobicContact CG-CG 3.56Å; N281-K441 WeakPolarHBondContact OD1-CE 3.33Å; N281-K441 PolarHBondContact OD1-NZ 3.49Å; K441-P443 WeakPolarHBondContact O-CD 3.3Å
442	I	87.6	Confident	76.3	Confident	63 Å²	63	92.1 Å²	92.1	32%	0.323	50%	0.499	S	S	.	.	P	Polyproline II helix	trans	-56	122.8	164.7	-68.8	165.5	0	0	0	108.3	L274 L275 E276 L444	L274-I442 HydrophobicContact CB-CG1 3.79Å; L275-I442 WeakPolarHBondContact O-CG1 3.33Å; L275-I442 PolarHBondContact O-N 3.21Å; E276-I442 HydrophobicContact CG-CD1 3.98Å; I442-L444 PolarHBondContact O-N 3.31Å
443	P	80.2	Confident	73.9	Confident	102 Å²	102	99 Å²	99	66%	0.662	52%	0.521	S	S	*	.	P	Polyproline II helix	trans	-64.2	124.8	176.3	-22.7	34.3	0	0	0	110.9	K441 K445	K441-P443 WeakPolarHBondContact O-CD 3.3Å; P443-K445 PolarHBondContact O-N 3.05Å; P443-K445 VanDerWaalsContact O-N 3.14Å
444	L	73.4	Confident	71.5	Confident	163 Å²	163	102 Å²	102	85%	0.853	56%	0.557	S	S	*	*	P	Polyproline II helix	trans	-63.2	116.1	169.1	-65.8	177	0	0	0	108.4	I442	I442-L444 PolarHBondContact O-N 3.31Å
445	K	63.2	Low	68.6	Low	195 Å²	195	105.8 Å²	105.8	85%	0.848	60%	0.597	S	S	*	*	P	Polyproline II helix	trans	-57.9	126.5	169.7	-72.2	-177.2	178	178.3	0	107.7	P443 S447	P443-K445 PolarHBondContact O-N 3.05Å; P443-K445 VanDerWaalsContact O-N 3.14Å; K445-S447 PolarHBondContact O-N 2.65Å; K445-S447 VanDerWaalsContact O-N 3.08Å
446	P	49.6	Very low	65.8	Low	124 Å²	124	108.9 Å²	108.9	81%	0.805	63%	0.63	S	S	*	*	P	Polyproline II helix	trans	-59.7	120.1	177.6	24.1	-32.7	0	0	0	108.4
447	S	43.4	Very low	63.3	Low	108 Å²	108	113.9 Å²	113.9	76%	0.755	65%	0.65	S	S	*	*	P	Polyproline II helix	trans	-56.6	131.9	-178.3	-174.2	0	0	0	0	109.3	K445 S449	K445-S447 PolarHBondContact O-N 2.65Å; K445-S447 VanDerWaalsContact O-N 3.08Å; S447-S449 PolarHBondContact O-N 3.33Å
448	P	54.7	Low	60.3	Low	116 Å²	116	115.6 Å²	115.6	75%	0.753	68%	0.677	S	S	*	*			trans	-65.5	97.7	-176.5	26.4	-34	0	0	0	109.6	K450	P448-K450 PolarHBondContact O-N 3.42Å
449	S	50	Low	57.3	Low	110 Å²	110	119.1 Å²	119.1	77%	0.769	71%	0.713	S	S	*	*			trans	-57.3	124	175.8	51.6	0	0	0	0	108.5	S447 K451	S447-S449 PolarHBondContact O-N 3.33Å; S449-K451 PolarHBondContact O-N 3.27Å
450	K	50	Low	54.4	Low	211 Å²	211	127.9 Å²	127.9	92%	0.917	76%	0.759	S	S	*	*			trans	-61.4	98.2	-177.5	-73.9	-177	177.6	178.7	0	109.1	P448 S452	P448-K450 PolarHBondContact O-N 3.42Å; K450-S452 VanDerWaalsContact C-N 3.31Å; K450-S452 PolarHBondContact O-N 3.27Å
451	K	47.3	Very low	51.7	Low	194 Å²	194	136.3 Å²	136.3	84%	0.843	79%	0.789	S	S	*	*			trans	-60.2	97.4	165.5	-95.3	-173.2	172.8	179.2	0	107.7	S449 R453	S449-K451 PolarHBondContact O-N 3.27Å; K451-R453 PolarHBondContact O-N 3.09Å
452	S	40.4	Very low	48.8	Very low	119 Å²	119	144 Å²	144	83%	0.832	82%	0.816	S	S	*	*			trans	-59.1	109.7	171.7	-170.5	0	0	0	0	108.3	K450 G454	K450-S452 VanDerWaalsContact C-N 3.31Å; K450-S452 PolarHBondContact O-N 3.27Å; S452-G454 PolarHBondContact O-N 2.97Å
453	R	45.5	Very low	46.2	Very low	240 Å²	240	145.1 Å²	145.1	91%	0.906	84%	0.835	S	S	*	*			trans	-77.7	113.7	171.9	-90.4	-178.8	160.7	168.5	-6.5	107.6	K451	K451-R453 PolarHBondContact O-N 3.09Å
454	G	47.5	Very low	45.1	Very low	84 Å²	84	146 Å²	146	87%	0.866	84%	0.84	S	S	*	*			trans	-68.5	143.6	172.8	0	0	0	0	0	112.3	S452	S452-G454 PolarHBondContact O-N 2.97Å
455	G	37.2	Very low	43.3	Very low	81 Å²	81	144.1 Å²	144.1	84%	0.835	84%	0.836	S	S	*	*			trans	-144.5	149.9	159.5	0	0	0	0	0	106.6
456	G	38.8	Very low	41.9	Very low	73 Å²	73	142.7 Å²	142.7	75%	0.753	84%	0.836	S	S	*	*			trans	-162.7	-152.9	-168.7	0	0	0	0	0	115.6
457	Q	42.5	Very low	41.2	Very low	207 Å²	207	143.9 Å²	143.9	97%	0.967	84%	0.841	S	S	*	*			trans	84.9	151.3	-167	-55.2	-163.8	7.4	0	0	115.8
458	G	32.3	Very low	40.6	Very low	83 Å²	83	141.8 Å²	141.8	86%	0.856	84%	0.837	S	S	*	*			trans	85.8	103.5	-171.1	0	0	0	0	0	113.2
459	G	34.6	Very low	40.4	Very low	74 Å²	74	142.5 Å²	142.5	76%	0.763	84%	0.842	S	S	*	*			cis	118.6	96.1	-6.2	0	0	0	0	0	113.7
460	L	36.1	Very low	39.6	Very low	183 Å²	183	143.5 Å²	143.5	96%	0.958	84%	0.843	S	S	*	*			trans	-166	156.7	161.2	-109.2	164.3	0	0	0	110.7
461	R	38.2	Very low	39.6	Very low	238 Å²	238	138.8 Å²	138.8	90%	0.898	83%	0.834	S	S	*	*			trans	-110.9	141.5	-177.7	-67.7	175.7	170.8	178.6	-4	111.7
462	R	33.4	Very low	38.9	Very low	255 Å²	255	136.7 Å²	136.7	96%	0.962	83%	0.831	S	S	*	*			trans	-164.1	149.3	141.8	-120	175.5	-179.9	179.1	-0.3	114.3
463	A	32.9	Very low	38.6	Very low	88 Å²	88	135 Å²	135	73%	0.727	82%	0.82	S	S	*	*			trans	-162.3	175.8	172.1	0	0	0	0	0	106.3
464	P	56.3	Low	38.1	Very low	120 Å²	120	131.4 Å²	131.4	78%	0.779	81%	0.813	S	S	*	*			cis	-107.3	-160.9	-5.1	22.1	3.1	0	0	0	110.2
465	T	35.3	Very low	37.3	Very low	123 Å²	123	133.1 Å²	133.1	76%	0.755	81%	0.807	S	S	*	*			cis	-160	133.9	36	35.9	0	0	0	0	110.2
466	L	33.7	Very low	37.1	Very low	165 Å²	165	134 Å²	134	86%	0.864	81%	0.806	S	S	*	*				77.2	99.2	89.8	-166.1	95.9	0	0	0	117.2
467	V	34.7	Very low	36.6	Very low	149 Å²	149	134.3 Å²	134.3	90%	0.903	81%	0.809	S	S	*	*			trans	-157	155.2	131.7	-155.8	0	0	0	0	108.6
468	G	31.7	Very low	36.2	Very low	65 Å²	65	134 Å²	134	67%	0.67	81%	0.808	S	S	*	*			trans	-122.1	-158.8	169.6	0	0	0	0	0	112.2
469	P	49.5	Very low	36.1	Very low	131 Å²	131	136 Å²	136	85%	0.851	81%	0.809	S	S	*	*			cis	-131.1	-169.1	7.4	42.6	-25.1	0	0	0	115.8
470	T	33.8	Very low	36	Very low	130 Å²	130	137.2 Å²	137.2	80%	0.798	81%	0.811	S	S	*	*			trans	-90.9	-170.7	179.9	43.1	0	0	0	0	112.7
471	P	49.1	Very low	35.7	Very low	113 Å²	113	132.2 Å²	132.2	73%	0.734	80%	0.804	S	S	*	*			cis	-122.9	-163	6.5	31.4	-5.6	0	0	0	113.3
472	L	32.5	Very low	35.3	Very low	150 Å²	150	128.3 Å²	128.3	79%	0.785	80%	0.801	S	S	*	*			cis	-134.7	160.4	19.2	-81.4	168.7	0	0	0	110.8
473	S	35.8	Very low	35.1	Very low	84 Å²	84	121 Å²	121	59%	0.587	79%	0.789	S	S	*	*				69.5	136	69.2	115.6	0	0	0	0	115
474	H	33.9	Very low	35	Very low	164 Å²	164	127 Å²	127	76%	0.759	79%	0.793	S	S	*	*			cis	-142	157.6	9.9	-110.4	-70.6	0	0	0	114.4
475	T	31.8	Very low	33.8	Very low	120 Å²	120	128.5 Å²	128.5	74%	0.736	79%	0.793	S	S	*	*			trans	-12.4	162.7	152.3	48.3	0	0	0	0	120.9
476	A	32.2	Very low	33.5	Very low	100 Å²	100	127.4 Å²	127.4	83%	0.826	79%	0.786	S	S	*	*			cis	177.8	159.5	-19.5	0	0	0	0	0	108.3
477	G	29.1	Very low	33.2	Very low	79 Å²	79	130 Å²	130	81%	0.814	79%	0.786	S	S	*	*			trans	169.5	130.5	169.5	0	0	0	0	0	115.1
478	Q	33.1	Very low	32.9	Very low	201 Å²	201	130.3 Å²	130.3	94%	0.939	78%	0.778	S	S	*	*			trans	-118.8	146	174	-62	174.1	1.7	0	0	109.7
479	S	30.3	Very low	32.7	Very low	125 Å²	125	132.3 Å²	132.3	87%	0.874	78%	0.781	S	S	*	*			trans	-163.4	149.9	135.1	-162.1	0	0	0	0	110.8
480	A	32.7	Very low	31.7	Very low	99 Å²	99	134.3 Å²	134.3	82%	0.818	78%	0.779	S	S	*	*			trans	-97.1	155.2	165	0	0	0	0	0	109.8
481	G	29.7	Very low	31.4	Very low	77 Å²	77	137.5 Å²	137.5	79%	0.794	78%	0.782	S	S	*	*			trans	-148	85.9	177.9	0	0	0	0	0	110.8
482	D	30.2	Very low	30.4	Very low	156 Å²	156	142 Å²	142	83%	0.834	79%	0.79	S	S	*	*			trans	-75.9	142.1	171	-168.2	5.3	0	0	0	109.6
483	S	29.9	Very low	30.1	Very low	103 Å²	103	140.5 Å²	140.5	72%	0.72	79%	0.792	S	S	*	*			trans	-144.5	86.7	-178.2	-155.3	0	0	0	0	111.6
484	R	30.3	Very low	29.6	Very low	213 Å²	213	143 Å²	143	80%	0.804	80%	0.804	S	S	*	*			trans	-111.3	76.7	-179.7	-177.4	-170.8	163.9	104.9	-0.3	109.6	V486	R484-V486 PolarHBondContact O-N 3.39Å
485	L	29.7	Very low	29.3	Very low	151 Å²	151	144.5 Å²	144.5	79%	0.791	81%	0.811	S	S	*	*			trans	-74.3	107.7	179	-86	167.4	0	0	0	111.7
486	V	29	Very low	29.1	Very low	101 Å²	101	143.9 Å²	143.9	61%	0.612	81%	0.812	S	S	*	*			trans	-96.7	119.4	167.5	177.8	0	0	0	0	107.9	R484	R484-V486 PolarHBondContact O-N 3.39Å
487	Y	28	Very low	28.9	Very low	218 Å²	218	148.1 Å²	148.1	86%	0.855	82%	0.815	S	S	*	*			trans	-79.9	127.2	171.8	-97.8	-92.3	0	0	0	110.6
488	H	28.2	Very low	28.9	Very low	157 Å²	157	148.7 Å²	148.7	73%	0.727	81%	0.812	S	S	*	*			trans	-119.5	113.3	174.8	-152.5	63.7	0	0	0	108.6	H490	H488-H490 PolarHBondContact O-N 3.12Å
489	S	27.8	Very low	28.6	Very low	107 Å²	107	147.1 Å²	147.1	75%	0.748	80%	0.804	S	S	*	*			trans	-86.7	103	-172.9	54.3	0	0	0	0	111.4	F491	S489-F491 PolarHBondContact O-N 3.31Å
490	H	28.9	Very low	28.5	Very low	173 Å²	173	147.5 Å²	147.5	80%	0.801	80%	0.802	S	S	*	*			trans	-75.6	117.9	171.6	-88	-80.4	0	0	0	111.7	H488	H488-H490 PolarHBondContact O-N 3.12Å
491	F	27.5	Very low	28.2	Very low	197 Å²	197	146.4 Å²	146.4	86%	0.864	80%	0.8	S	S	*	*			trans	-71.6	144.5	154.3	-88.5	-103.8	0	0	0	109.8	S489	S489-F491 PolarHBondContact O-N 3.31Å
492	K	27	Very low	28.2	Very low	207 Å²	207	149.4 Å²	149.4	90%	0.9	80%	0.803	S	S	*	*			trans	-149.4	136.7	151.7	-121.3	-174.3	179.8	-170.6	0	110.4
493	S	27.3	Very low	28.1	Very low	119 Å²	119	151 Å²	151	83%	0.832	81%	0.805	S	S	*	*			trans	-75.7	157.7	176.9	-46.8	0	0	0	0	111.5
494	T	25.3	Very low	28	Very low	136 Å²	136	151 Å²	151	83%	0.834	81%	0.805	S	S	*	*			trans	-116.7	122.9	169	49.8	0	0	0	0	110
495	E	27	Very low	27.9	Very low	195 Å²	195	148.6 Å²	148.6	91%	0.911	81%	0.808	S	S	*	*			trans	-108.5	176	159.9	-71	-177.6	130.7	0	0	109.1
496	S	28.8	Very low	28	Very low	108 Å²	108	148.3 Å²	148.3	76%	0.755	80%	0.801	S	S	*	*			trans	-67.9	169.1	-173	49.5	0	0	0	0	113.4
497	E	28.2	Very low	28.2	Very low	188 Å²	188	149.3 Å²	149.3	88%	0.879	81%	0.809	S	S	*	*			cis	-150.1	-161	42.6	-67.5	-177.4	120.9	0	0	114.1
498	A	27.7	Very low	28.2	Very low	92 Å²	92	143.9 Å²	143.9	76%	0.76	80%	0.795	S	S	*	*			trans	-90.7	-168.8	-174.8	0	0	0	0	0	112.4
499	E	28.2	Very low	28.4	Very low	167 Å²	167	144.7 Å²	144.7	78%	0.78	80%	0.804	S	S	*	*			cis	-162.3	164.7	13.1	-155.1	-175.3	-151.8	0	0	111.7
500	T	27	Very low	28.7	Very low	133 Å²	133	145 Å²	145	82%	0.816	80%	0.801	S	S	*	*			trans	68	152.7	163	72.7	0	0	0	0	120.6
501	G	26.2	Very low	28.7	Very low	76 Å²	76	143.1 Å²	143.1	78%	0.784	80%	0.804	S	S	*	*			trans	140.7	109.9	166.7	0	0	0	0	0	114.5
502	V	30.7	Very low	28.8	Very low	140 Å²	140	144.1 Å²	144.1	85%	0.848	80%	0.802	S	S	*	*			trans	-125.1	127.6	179.9	176.5	0	0	0	0	110.7
503	Q	27.9	Very low	29.1	Very low	191 Å²	191	139.9 Å²	139.9	89%	0.893	79%	0.793	S	S	*	*			trans	-176.6	169	134.4	-104.4	173.8	17.3	0	0	113.6
504	S	28.1	Very low	29.7	Very low	101 Å²	101	140 Å²	140	71%	0.706	79%	0.791	S	S	*	*			trans	-64.2	161.3	-179.6	-43.1	0	0	0	0	112.7
505	D	27.3	Very low	30.6	Very low	164 Å²	164	138.8 Å²	138.8	88%	0.877	79%	0.786	S	S	*	*				-163.6	164	68.3	-100.5	-30.1	0	0	0	115.2
506	K	32.2	Very low	31.2	Very low	145 Å²	145	135.7 Å²	135.7	63%	0.63	78%	0.783	S	S	*	*			trans	-129.7	140.7	177.9	-175	-158.7	179	-167.6	0	110.4	D508	K506-D508 VanDerWaalsContact CE-CG 3.48Å; K506-D508 WeakPolarHBondContact CE-OD1 3.32Å; K506-D508 WeakPolarHBondContact CE-OD2 3.46Å; K506-D508 IonicContact NZ-OD1 2.82Å; K506-D508 PolarHBondContact NZ-OD1 2.75Å; K506-D508 IonicContact NZ-OD2 3.99Å; K506-D508 PolarHBondContact NZ-OD2 3.31Å
507	P	33.8	Very low	31.2	Very low	121 Å²	121	135 Å²	135	79%	0.786	78%	0.783	S	S	*	*			trans	-113.8	128.3	150.3	17.7	0.7	0	0	0	111.9
508	D	27.9	Very low	31.2	Very low	104 Å²	104	133.2 Å²	133.2	56%	0.556	78%	0.78	S	S	*	*			trans	-77.3	145.7	156.7	-79.8	-58.1	0	0	0	109.9	K506	K506-D508 VanDerWaalsContact CE-CG 3.48Å; K506-D508 WeakPolarHBondContact CE-OD1 3.32Å; K506-D508 WeakPolarHBondContact CE-OD2 3.46Å; K506-D508 IonicContact NZ-OD1 2.82Å; K506-D508 PolarHBondContact NZ-OD1 2.75Å; K506-D508 IonicContact NZ-OD2 3.99Å; K506-D508 PolarHBondContact NZ-OD2 3.31Å
509	L	32.4	Very low	31.4	Very low	175 Å²	175	135.9 Å²	135.9	92%	0.916	78%	0.782	S	S	*	*			trans	-138.7	112.9	147.6	-78.5	-177.3	0	0	0	110.4
510	V	33.4	Very low	32.5	Very low	113 Å²	113	133.7 Å²	133.7	69%	0.685	78%	0.782	S	S	*	*			trans	-123.1	138.7	168.5	-83.9	0	0	0	0	109.7
511	P	29.1	Very low	32.7	Very low	134 Å²	134	132 Å²	132	87%	0.87	78%	0.782	S	S	*	*			trans	-85.7	149.8	151.8	-12.8	30.7	0	0	0	110.4
512	R	28.8	Very low	32.9	Very low	217 Å²	217	136.2 Å²	136.2	82%	0.819	79%	0.786	S	S	*	*			trans	-144.8	134.2	-172.1	-137.1	-168.7	-169.8	-152.5	3.8	113.1
513	T	34.1	Very low	33	Very low	118 Å²	118	134.4 Å²	134.4	72%	0.724	79%	0.785	S	S	*	*			trans	64.6	168	153.8	40.3	0	0	0	0	117.6
514	P	39	Very low	33.1	Very low	121 Å²	121	134.2 Å²	134.2	79%	0.786	79%	0.785	S	S	*	*			cis	-130	175.7	10.8	40.6	-22.8	0	0	0	117.6
515	P	44.9	Very low	33.2	Very low	111 Å²	111	134.3 Å²	134.3	72%	0.721	79%	0.791	S	S	*	*			trans	-103.8	172.1	178.2	41.3	-35.5	0	0	0	114.6
516	P	38.8	Very low	33.2	Very low	130 Å²	130	132.9 Å²	132.9	84%	0.844	78%	0.784	S	S	*	*				-144.3	175.4	118.7	29.8	-10.9	0	0	0	112.9
517	A	28.8	Very low	33.2	Very low	93 Å²	93	133.6 Å²	133.6	77%	0.769	79%	0.794	S	S	*	*			cis	-162.2	-176.7	-20.3	0	0	0	0	0	108.6
518	D	29.5	Very low	32.9	Very low	151 Å²	151	133.8 Å²	133.8	81%	0.807	80%	0.798	S	S	*	*			trans	-83.7	150.8	-161.7	-52.4	-94.9	0	0	0	118.7
519	N	32	Very low	33	Very low	149 Å²	149	135.2 Å²	135.2	80%	0.797	81%	0.811	S	S	*	*			trans	22.1	165.8	134.2	-72.5	-14.9	0	0	0	123.3
520	P	51.5	Low	33	Very low	120 Å²	120	133 Å²	133	78%	0.779	81%	0.809	S	S	*	*			cis	-136.2	-179.3	-32.5	38.4	-21.6	0	0	0	113.2
521	A	29.8	Very low	32.9	Very low	99 Å²	99	132.9 Å²	132.9	82%	0.818	81%	0.814	S	S	*	*			trans	-157.8	143.3	158.9	0	0	0	0	0	112.4
522	D	31	Very low	33.1	Very low	164 Å²	164	135.2 Å²	135.2	88%	0.877	82%	0.818	S	S	*	*			trans	-86.3	155.1	-177.7	-53.1	-84.4	0	0	0	114.1
523	A	31.7	Very low	33.1	Very low	101 Å²	101	128.7 Å²	128.7	84%	0.835	82%	0.819	S	S	*	*			trans	-157.5	79.3	163.9	0	0	0	0	0	112.2
524	E	30.2	Very low	33	Very low	187 Å²	187	128.9 Å²	128.9	87%	0.874	83%	0.825	S	S	*	*			trans	-67.6	132.3	156.4	-70.4	-166.4	134.4	0	0	109.5
525	A	30.8	Very low	32.6	Very low	103 Å²	103	130 Å²	130	85%	0.851	83%	0.83	S	S	*	*			trans	-109	114.1	172.8	0	0	0	0	0	109.4
526	N	28.4	Very low	31.8	Very low	135 Å²	135	128.4 Å²	128.4	72%	0.722	83%	0.834	S	S	*	*			trans	-78.2	161.7	-166.1	-116	-60.2	0	0	0	114.7
527	L	30.5	Very low	31.5	Very low	160 Å²	160	127.6 Å²	127.6	84%	0.838	84%	0.837	S	S	*	*			trans	-55.8	145.7	164.6	-69.8	159.2	0	0	0	110.5
528	S	28.4	Very low	31.5	Very low	124 Å²	124	126.8 Å²	126.8	87%	0.867	84%	0.838	S	S	*	*			trans	-124.3	117.6	162	-75.3	0	0	0	0	109.4
529	T	30.8	Very low	31.5	Very low	135 Å²	135	125.7 Å²	125.7	83%	0.828	84%	0.843	S	S	*	*			trans	-83.3	154.6	172.5	46.8	0	0	0	0	110.7
530	S	31.2	Very low	31.4	Very low	127 Å²	127	122.8 Å²	122.8	89%	0.888	84%	0.839	S	S	*	*			trans	-140.9	132	154.3	58.5	0	0	0	0	109.4
531	S	31.9	Very low	30.4	Very low	111 Å²	111	122.3 Å²	122.3	78%	0.776	84%	0.839	S	S	*	*			trans	-133.3	119.9	-177.4	46.2	0	0	0	0	109.6
532	L	34.1	Very low	30.9	Very low	183 Å²	183	123 Å²	123	96%	0.958	83%	0.834	S	S	*	*			trans	-138.5	126.4	162.7	-84.8	173.6	0	0	0	107.1
533	G	28.5	Very low	31.2	Very low	81 Å²	81	120.7 Å²	120.7	84%	0.835	83%	0.829	S	S	*	*			trans	-113.5	163.4	177.6	0	0	0	0	0	111.5
534	S	30.7	Very low	31.1	Very low	122 Å²	122	124.4 Å²	124.4	85%	0.853	83%	0.834	S	S	*	*			trans	-146.4	157.6	160.1	-166.6	0	0	0	0	109.3
535	T	32.1	Very low	31	Very low	144 Å²	144	127.6 Å²	127.6	88%	0.883	84%	0.838	S	S	*	*			trans	-107.4	153.3	-164.6	48.4	0	0	0	0	113.2
536	G	28.1	Very low	30.8	Very low	78 Å²	78	128 Å²	128	80%	0.804	83%	0.834	S	S	*	*			trans	-176	119.2	172.3	0	0	0	0	0	112.4
537	A	31.3	Very low	30.8	Very low	112 Å²	112	128.8 Å²	128.8	93%	0.926	84%	0.844	S	S	*	*			trans	-88.2	164	171.3	0	0	0	0	0	110.5
538	G	28.2	Very low	30.7	Very low	76 Å²	76	124.5 Å²	124.5	78%	0.784	84%	0.838	S	S	*	*			cis	153.6	145.6	-3.1	0	0	0	0	0	110.7
539	S	30.1	Very low	30.7	Very low	129 Å²	129	125 Å²	125	90%	0.902	84%	0.836	S	S	*	*			trans	-166.1	166	174.4	-166.2	0	0	0	0	112.6
540	A	30.5	Very low	30.6	Very low	88 Å²	88	126.6 Å²	126.6	73%	0.727	83%	0.834	S	S	*	*			trans	-146.7	-177.1	174	0	0	0	0	0	108
541	S	30.9	Very low	30.5	Very low	109 Å²	109	126.7 Å²	126.7	76%	0.762	83%	0.829	S	S	*	*			cis	-167.5	-175.3	9.4	-143.2	0	0	0	0	106.9
542	P	40.6	Very low	30.3	Very low	113 Å²	113	128.4 Å²	128.4	73%	0.734	82%	0.824	S	S	*	*			cis	-125.8	-146.8	-11.6	47.1	-29.5	0	0	0	109.5
543	P	35.4	Very low	30	Very low	116 Å²	116	129.4 Å²	129.4	75%	0.753	82%	0.821	S	S	*	*			trans	-108.3	171.1	-161	40.6	-34.8	0	0	0	117
544	L	29.8	Very low	30.1	Very low	180 Å²	180	131.1 Å²	131.1	94%	0.942	82%	0.82	S	S	*	*			trans	-119.3	150.8	159.4	-77.1	173.5	0	0	0	111.3
545	R	28.3	Very low	29.9	Very low	253 Å²	253	129.7 Å²	129.7	96%	0.955	82%	0.816	S	S	*	*			trans	-81.5	146.5	-167.6	-77	177.8	168	163.3	-5.3	113.8
546	S	26.9	Very low	29.8	Very low	112 Å²	112	130.7 Å²	130.7	78%	0.783	82%	0.815	S	S	*	*			trans	-85.1	152.1	169	50.9	0	0	0	0	112.8
547	V	29.5	Very low	29.8	Very low	151 Å²	151	133.1 Å²	133.1	92%	0.915	82%	0.815	S	S	*	*			trans	-129.7	125.4	149.8	-177.7	0	0	0	0	106
548	G	27.4	Very low	29.7	Very low	70 Å²	70	136 Å²	136	72%	0.722	81%	0.814	S	S	*	*			trans	-91.3	147.5	-166.8	0	0	0	0	0	114.5
549	V	28.8	Very low	29.7	Very low	136 Å²	136	140.8 Å²	140.8	82%	0.824	82%	0.816	S	S	*	*			trans	-94.6	125.2	159.6	175.8	0	0	0	0	107.8	V551	V549-V551 PolarHBondContact O-N 2.92Å
550	E	28.4	Very low	29.6	Very low	168 Å²	168	142.6 Å²	142.6	79%	0.785	82%	0.816	S	S	*	*			trans	-85.4	98	-168.2	-163.1	169.8	-128	0	0	112.2	H552	E550-H552 IonicContact OE1-NE2 3.87Å; E550-H552 IonicContact OE2-NE2 2.71Å
551	V	28.4	Very low	29.5	Very low	128 Å²	128	146.3 Å²	146.3	78%	0.776	82%	0.818	S	S	*	*			trans	-96.1	91.5	-179.3	-176.8	0	0	0	0	110.5	V549 K553	V549-V551 PolarHBondContact O-N 2.92Å; V551-K553 PolarHBondContact O-N 2.92Å
552	H	29.6	Very low	29.3	Very low	148 Å²	148	144.6 Å²	144.6	69%	0.685	82%	0.818	S	S	*	*			trans	-72.5	117.2	176.2	-84.4	-85.6	0	0	0	112.7	E550	E550-H552 IonicContact OE1-NE2 3.87Å; E550-H552 IonicContact OE2-NE2 2.71Å
553	K	26.9	Very low	28.7	Very low	204 Å²	204	146.4 Å²	146.4	89%	0.887	83%	0.827	S	S	*	*			trans	-96.6	104.7	167.1	-175.9	-178.7	-179.6	-176.9	0	109	V551 A555	V551-K553 PolarHBondContact O-N 2.92Å; K553-A555 PolarHBondContact O-N 3.13Å
554	S	30.4	Very low	28.3	Very low	117 Å²	117	145.8 Å²	145.8	82%	0.818	83%	0.825	S	S	*	*			trans	-68.2	125.7	-176	-55.7	0	0	0	0	112.9
555	A	26.9	Very low	28.3	Very low	92 Å²	92	146.4 Å²	146.4	76%	0.76	82%	0.823	S	S	*	*			trans	-118.1	138.2	160.8	0	0	0	0	0	108.1	K553	K553-A555 PolarHBondContact O-N 3.13Å
556	N	28.8	Very low	28.2	Very low	164 Å²	164	138.9 Å²	138.9	88%	0.877	81%	0.809	S	S	*	*			trans	-100.8	110.8	-179.9	-96.4	31	0	0	0	110.3
557	T	29.1	Very low	28.3	Very low	130 Å²	130	141.9 Å²	141.9	80%	0.798	82%	0.815	S	S	*	*			trans	-148.4	106.4	161	41.7	0	0	0	0	108.4
558	D	28.9	Very low	28.1	Very low	171 Å²	171	138.6 Å²	138.6	91%	0.914	81%	0.812	S	S	*	*			trans	-127	127.9	156.8	-81.9	-50.1	0	0	0	107.2
559	H	27.4	Very low	28.1	Very low	178 Å²	178	140.1 Å²	140.1	82%	0.824	82%	0.818	S	S	*	*			trans	-134.1	125.8	176.4	-126.3	32.8	0	0	0	105.2
560	D	28.1	Very low	28.1	Very low	166 Å²	166	143.3 Å²	143.3	89%	0.888	82%	0.824	S	S	*	*			trans	-144.5	151.1	166.3	-148.1	-14.1	0	0	0	109.6
561	Q	28.7	Very low	28	Very low	167 Å²	167	139.1 Å²	139.1	78%	0.78	83%	0.825	S	S	*	*			trans	-135.6	144.4	-168.9	-73.3	-168.8	3.4	0	0	113.1
562	G	26.6	Very low	27.9	Very low	73 Å²	73	138.2 Å²	138.2	75%	0.753	83%	0.831	S	S	*	*			trans	96.4	152.6	169	0	0	0	0	0	113.9
563	T	27.7	Very low	27.8	Very low	151 Å²	151	136.1 Å²	136.1	93%	0.926	84%	0.839	S	S	*	*			cis	-135.1	161.9	2.6	46.5	0	0	0	0	112
564	S	28.2	Very low	27.8	Very low	103 Å²	103	134.1 Å²	134.1	72%	0.72	84%	0.838	S	S	*	*			trans	-96.9	148.4	-175.6	55.2	0	0	0	0	113.1
565	H	29.3	Very low	27.6	Very low	193 Å²	193	135.6 Å²	135.6	89%	0.894	84%	0.837	S	S	*	*			trans	-152.5	124.7	146.8	-108.7	-73.8	0	0	0	114.9
566	S	27.3	Very low	27.6	Very low	94 Å²	94	136.8 Å²	136.8	66%	0.657	84%	0.84	S	S	*	*			trans	15.1	120	155.5	-163	0	0	0	0	122.8
567	L	28	Very low	27.5	Very low	176 Å²	176	134.2 Å²	134.2	92%	0.921	83%	0.83	S	S	*	*				31.8	125	128.3	-55.6	170	0	0	0	121
568	G	25.5	Very low	27.4	Very low	82 Å²	82	135.8 Å²	135.8	85%	0.845	83%	0.834	S	S	*	*			trans	-157.3	135.6	149.2	0	0	0	0	0	108.7
569	A	27.6	Very low	27.3	Very low	101 Å²	101	135.7 Å²	135.7	84%	0.835	83%	0.833	S	S	*	*			trans	-135.1	131.3	-174	0	0	0	0	0	111.4
570	E	28.1	Very low	27.2	Very low	204 Å²	204	132.3 Å²	132.3	95%	0.953	83%	0.829	S	S	*	*			trans	-175.5	168.4	156.7	-115.9	175.7	-175.1	0	0	111.3
571	G	26.1	Very low	27.1	Very low	79 Å²	79	127.9 Å²	127.9	81%	0.814	82%	0.822	S	S	*	*			trans	91.1	88.4	158.9	0	0	0	0	0	117.3
572	A	26.3	Very low	27	Very low	109 Å²	109	126.2 Å²	126.2	90%	0.901	82%	0.819	S	S	*	*			trans	-87.1	138.2	160.5	0	0	0	0	0	110.7
573	A	28.1	Very low	27.1	Very low	104 Å²	104	131.6 Å²	131.6	86%	0.86	82%	0.824	S	S	*	*			trans	-154.4	125.8	167.2	0	0	0	0	0	110.1
574	D	26.5	Very low	27.2	Very low	162 Å²	162	129.9 Å²	129.9	87%	0.866	81%	0.806	S	S	*	*			trans	-69.3	144.5	175.2	-72.5	-67.2	0	0	0	112.1
575	N	27.4	Very low	27.5	Very low	148 Å²	148	128.4 Å²	128.4	79%	0.791	79%	0.792	S	S	*	*			trans	-154.9	94.1	148.8	-132.2	-30.7	0	0	0	112	T577	N575-T577 PolarHBondContact O-N 2.69Å
576	S	26.5	Very low	27.7	Very low	117 Å²	117	120.4 Å²	120.4	82%	0.818	76%	0.757	S	S	*	*			trans	-75.3	107.2	179.4	42.6	0	0	0	0	111.3
577	T	26.6	Very low	28.1	Very low	110 Å²	110	116.4 Å²	116.4	68%	0.675	73%	0.729	S	S	*	*			trans	-123.1	117.4	173.2	42.3	0	0	0	0	111	N575 L579	N575-T577 PolarHBondContact O-N 2.69Å; T577-L579 PolarHBondContact O-N 3.08Å
578	N	27.7	Very low	28.6	Very low	164 Å²	164	108.6 Å²	108.6	88%	0.877	69%	0.688	S	S	*	*			trans	-69.2	116.4	-177.7	-74.2	-47.8	0	0	0	111.3
579	L	25.8	Very low	29.3	Very low	169 Å²	169	104.9 Å²	104.9	89%	0.885	65%	0.649	S	S	*	*			trans	-109.5	83.6	170.3	-72.8	173.7	0	0	0	110.4	T577 G581	T577-L579 PolarHBondContact O-N 3.08Å; L579-G581 PolarHBondContact O-N 3.32Å; L579-G581 VanDerWaalsContact O-N 3.07Å
580	S	25.5	Very low	29.9	Very low	106 Å²	106	102 Å²	102	74%	0.741	62%	0.62	S	S	*	*			trans	-71.4	95.5	170.5	40.6	0	0	0	0	110.7	N582	S580-N582 PolarHBondContact O-N 2.88Å
581	G	24.7	Very low	30.6	Very low	73 Å²	73	93.1 Å²	93.1	75%	0.753	58%	0.578	S	S	*	*			trans	-64.5	103.7	177.1	0	0	0	0	0	112.6	L579 E583	L579-G581 PolarHBondContact O-N 3.32Å; L579-G581 VanDerWaalsContact O-N 3.07Å; G581-E583 PolarHBondContact O-N 3.07Å; G581-E583 VanDerWaalsContact O-N 3.07Å
582	N	27.4	Very low	31.4	Very low	132 Å²	132	91.1 Å²	91.1	71%	0.706	55%	0.549	S	S	*	.			trans	-73.5	91.3	172	-83.8	-51.3	0	0	0	111.1	S580 E584	S580-N582 PolarHBondContact O-N 2.88Å; N582-E584 VanDerWaalsContact C-N 3.32Å; N582-E584 PolarHBondContact O-N 2.81Å; N582-E584 VanDerWaalsContact O-N 3.11Å
583	E	28.2	Very low	31.8	Very low	186 Å²	186	87.1 Å²	87.1	87%	0.869	51%	0.514	S	S	*	.			trans	-79.1	79.7	163.6	-66.6	-158	127.7	0	0	110.5	G581	G581-E583 PolarHBondContact O-N 3.07Å; G581-E583 VanDerWaalsContact O-N 3.07Å
584	E	31.5	Very low	32.1	Very low	115 Å²	115	87.1 Å²	87.1	54%	0.537	50%	0.496	S	S	.	.			trans	-89.1	112.1	168.4	-66.4	-154.8	147.3	0	0	111	K245 N582	K245-E584 WeakPolarHBondContact CD-OE1 3.45Å; K245-E584 WeakPolarHBondContact CE-OE1 3.13Å; K245-E584 IonicContact NZ-OE1 2.81Å; K245-E584 PolarHBondContact NZ-OE1 3.41Å; N582-E584 VanDerWaalsContact C-N 3.32Å; N582-E584 PolarHBondContact O-N 2.81Å; N582-E584 VanDerWaalsContact O-N 3.11Å
585	V	34.3	Very low	32.5	Very low	72 Å²	72	82.7 Å²	82.7	44%	0.436	48%	0.475	S	S	.	.			trans	-78.3	126.5	-176.4	-172.1	0	0	0	0	111.4	D301	D301-V585 HydrophobicContact CB-CG1 3.85Å
586	V	33.4	Very low	32.4	Very low	26 Å²	26	84 Å²	84	16%	0.158	48%	0.482	C	S	.	.			trans	-67	161.5	-174.3	-160	0	0	0	0	112.3	A157 K240	A157-V586 HydrophobicContact CB-CG1 4.49Å; A157-V586 HydrophobicContact CB-CG2 4.11Å; K240-V586 PolarHBondContact NZ-O 2.76Å
587	S	35.2	Very low	32.2	Very low	9 Å²	9	84.1 Å²	84.1	6%	0.063	47%	0.472	C	S	.	.			trans	-143.2	147.6	167	38.8	0	0	0	0	111.6	D238 D393 S589	D238-S587 WeakPolarHBondContact OD2-CB 3.39Å; D393-S587 VanDerWaalsContact OD2-C 3.29Å; D393-S587 VanDerWaalsContact OD2-CA 3.26Å; D393-S587 WeakPolarHBondContact OD2-CA 3.28Å; S587-S589 WeakPolarHBondContact CB-OG 3.29Å; S587-S589 PolarHBondContact O-N 3.29Å; S587-S589 PolarHBondContact O-OG 2.98Å; S587-S589 PolarHBondContact OG-OG 3.19Å
588	L	38.8	Very low	32	Very low	13 Å²	13	84.8 Å²	84.8	7%	0.068	48%	0.48	C	S	.	.	G	3₁₀ helix	trans	-66.6	5.8	170.9	-75	140.6	0	0	0	112.8	F162 K173 I392 D393 D590 I591	F162-L588 HydrophobicContact CE1-CD2 3.71Å; F162-L588 HydrophobicContact CZ-CD2 4.13Å; K173-L588 HydrophobicContact CD-CD2 4.06Å; I392-L588 HydrophobicContact CB-CB 4.14Å; I392-L588 HydrophobicContact CB-CD1 3.61Å; I392-L588 HydrophobicContact CD1-CB 3.77Å; I392-L588 HydrophobicContact CG2-CB 4.36Å; I392-L588 HydrophobicContact CG2-CD1 4.05Å; D393-L588 HydrophobicContact CB-CD1 4.31Å; D393-L588 VanDerWaalsContact CG-CD1 3.44Å; D393-L588 VanDerWaalsContact N-CD1 3.34Å; D393-L588 WeakPolarHBondContact OD1-CD1 3.49Å; D393-L588 WeakPolarHBondContact OD2-CD1 3.32Å; D393-L588 WeakPolarHBondContact OD2-CG 3.43Å; D393-L588 PolarHBondContact OD2-N 2.94Å; L588-D590 PolarHBondContact O-N 3.24Å; L588-I591 HydrophobicContact CB-CD1 3.71Å; L588-I591 HydrophobicContact CD2-CD1 3.19Å; L588-I591 HydrophobicContact CG-CD1 3.79Å; L588-I591 WeakPolarHBondContact O-CB 3.41Å; L588-I591 WeakPolarHBondContact O-CG1 3.43Å; L588-I591 PolarHBondContact O-N 3.44Å
589	S	39.6	Very low	31.8	Very low	4 Å²	4	89.7 Å²	89.7	3%	0.028	49%	0.494	C	S	.	.	G	3₁₀ helix	trans	-49.2	-32.3	169.7	47.9	0	0	0	0	114.7	T259 S587 I591	T259-S589 WeakPolarHBondContact CB-O 3.47Å; T259-S589 PolarHBondContact OG1-O 3.3Å; S587-S589 WeakPolarHBondContact CB-OG 3.29Å; S587-S589 PolarHBondContact O-N 3.29Å; S587-S589 PolarHBondContact O-OG 2.98Å; S587-S589 PolarHBondContact OG-OG 3.19Å; S589-I591 PolarHBondContact O-N 3.17Å
590	D	40.9	Very low	32.1	Very low	41 Å²	41	85.7 Å²	85.7	22%	0.219	47%	0.474	C	S	.	.	G	3₁₀ helix	trans	-83	6.7	-166.6	-53.7	-5.8	0	0	0	111.9	N154 G156 L588	N154-D590 WeakPolarHBondContact CB-O 3.28Å; N154-D590 PolarHBondContact ND2-O 3.25Å; G156-D590 WeakPolarHBondContact CA-OD2 3.45Å; L588-D590 PolarHBondContact O-N 3.24Å
591	I	42.9	Very low	32.4	Very low	16 Å²	16	84.6 Å²	84.6	8%	0.082	46%	0.46	C	S	.	.			trans	-122.7	64.5	-157.8	-48.4	168.4	0	0	0	110.3	L152 F162 L588 S589	L152-I591 HydrophobicContact CD1-CG2 3.38Å; F162-I591 HydrophobicContact CB-CG2 4.27Å; F162-I591 HydrophobicContact CD1-CD1 3.79Å; F162-I591 HydrophobicContact CD1-CG2 4.23Å; F162-I591 HydrophobicContact CD2-CD1 3.91Å; F162-I591 HydrophobicContact CD2-CG1 4Å; F162-I591 HydrophobicContact CD2-CG2 4.46Å; F162-I591 HydrophobicContact CE1-CD1 3.35Å; F162-I591 HydrophobicContact CE1-CG1 4.41Å; F162-I591 HydrophobicContact CE2-CD1 3.49Å; F162-I591 VanDerWaalsContact CE2-CD1 3.49Å; F162-I591 HydrophobicContact CE2-CG1 3.88Å; F162-I591 HydrophobicContact CG-CD1 4.05Å; F162-I591 HydrophobicContact CG-CG1 4.34Å; F162-I591 HydrophobicContact CG-CG2 4.06Å; F162-I591 HydrophobicContact CZ-CD1 3.21Å; F162-I591 HydrophobicContact CZ-CG1 4.12Å; L588-I591 HydrophobicContact CB-CD1 3.71Å; L588-I591 HydrophobicContact CD2-CD1 3.19Å; L588-I591 HydrophobicContact CG-CD1 3.79Å; L588-I591 WeakPolarHBondContact O-CB 3.41Å; L588-I591 WeakPolarHBondContact O-CG1 3.43Å; L588-I591 PolarHBondContact O-N 3.44Å; S589-I591 PolarHBondContact O-N 3.17Å
592	I	43	Very low	32.8	Very low	38 Å²	38	85.3 Å²	85.3	20%	0.195	44%	0.444	C	S	.	.	S	Bend	trans	-129.5	135.6	147.8	-61.3	-168	0	0	0	107.1	L227 K236	L227-I592 HydrophobicContact CB-CD1 3.54Å; L227-I592 HydrophobicContact CB-CG1 4.38Å; L227-I592 HydrophobicContact CD1-CD1 3.81Å; L227-I592 HydrophobicContact CG-CD1 4.32Å; K236-I592 HydrophobicContact CD-CD1 3.6Å; K236-I592 HydrophobicContact CD-CG1 4.36Å
593	P	33	Very low	33.2	Very low	25 Å²	25	82.5 Å²	82.5	16%	0.162	43%	0.428	C	S	.	.			trans	-58.1	134.2	176.5	14.2	-25.7	0	0	0	113.5	L152 R229 T595	L152-P593 HydrophobicContact CD2-CB 3.55Å; L152-P593 HydrophobicContact CD2-CG 3.73Å; R229-P593 VanDerWaalsContact NH2-CG 3.28Å; P593-T595 HydrophobicContact CB-CG2 4.41Å
594	E	36.3	Very low	33.5	Very low	104 Å²	104	76.1 Å²	76.1	49%	0.486	40%	0.401	S	S	.	.			trans	-85.4	112.7	154.4	-73.2	172.1	-167	0	0	108.4	K255	K255-E594 WeakPolarHBondContact CD-OE1 3.4Å; K255-E594 WeakPolarHBondContact CE-OE1 3.19Å; K255-E594 WeakPolarHBondContact CG-OE1 3.35Å
595	T	33.8	Very low	33.6	Very low	68 Å²	68	73.5 Å²	73.5	42%	0.417	39%	0.392	S	S	.	.			trans	-139.8	93.9	169.9	50.6	0	0	0	0	109.5	R229 P593 I597	R229-T595 PolarHBondContact NH1-OG1 3.33Å; P593-T595 HydrophobicContact CB-CG2 4.41Å; T595-I597 VanDerWaalsContact C-N 3.25Å; T595-I597 PolarHBondContact O-N 3.27Å
596	N	25.1	Very low	33.6	Very low	175 Å²	175	73.6 Å²	73.6	94%	0.936	39%	0.388	S	S	*	.			trans	-66.7	91.1	158.7	-81.9	-22.4	0	0	0	107.9
597	I	23.3	Very low	33.6	Very low	120 Å²	120	77.2 Å²	77.2	62%	0.615	41%	0.406	S	S	*	.			trans	-117.8	99.5	166.1	-62.5	171	0	0	0	105.4	T595 F599	T595-I597 VanDerWaalsContact C-N 3.25Å; T595-I597 PolarHBondContact O-N 3.27Å; I597-F599 HydrophobicContact CG2-CE2 4.35Å
598	C	20.8	Very low	33.4	Very low	124 Å²	124	82.9 Å²	82.9	84%	0.838	44%	0.435	S	S	*	.			trans	-69.6	139.5	155.5	-60.8	0	0	0	0	107.7
599	F	23.7	Very low	32.9	Very low	267 Å²	267	89.3 Å²	89.3	100%	1.171	47%	0.468	S	S	*	.			trans	-91.1	0	149.7	-73.2	-80.8	0	0	0	107.9	I597	I597-F599 HydrophobicContact CG2-CE2 4.35Å

Retrieved 599 of 599 residues in 133.7 ms (Link to these results)

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