A0A3Q0KQK3_SCHMA Loading...

PIP49_C domain-containing protein

AlphaFold DB , UniProt , Accession A0A3Q0KQK3, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 537 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	38.4	Very low	40.8	Very low	232 Å²	232	157.9 Å²	157.9	100%	1.143	80%	0.8	S	S	*	*				0	90.2	0	-101.4	166.9	155.6	0	0	106.3
2	E	39.7	Very low	40.8	Very low	176 Å²	176	162.4 Å²	162.4	82%	0.822	81%	0.81	S	S	*	*				62.5	117.2	92.5	-88.5	-171.9	164.7	0	0	110
3	L	37.4	Very low	40.8	Very low	142 Å²	142	155.3 Å²	155.3	74%	0.743	80%	0.803	S	S	*	*			cis	-157.2	131.3	39	-112.2	68.8	0	0	0	106.4
4	S	38.2	Very low	40.9	Very low	85 Å²	85	152.7 Å²	152.7	59%	0.594	81%	0.805	S	S	*	*				78.5	112.7	76.8	90.4	0	0	0	0	117.4
5	H	43	Very low	40.9	Very low	176 Å²	176	147.5 Å²	147.5	82%	0.815	80%	0.803	S	S	*	*			trans	63.9	123	137.1	-61.7	-58.8	0	0	0	122.9
6	R	40.1	Very low	41.1	Very low	246 Å²	246	146.2 Å²	146.2	93%	0.928	80%	0.8	S	S	*	*				-176.3	126.8	92.3	-92.9	-178.1	-169.5	-173.2	3.6	112.3
7	V	42.7	Very low	41	Very low	133 Å²	133	146.6 Å²	146.6	81%	0.806	80%	0.802	S	S	*	*			trans	-87	-175.4	154.6	-136.7	0	0	0	0	107.5
8	P	46.1	Very low	41	Very low	86 Å²	86	145.4 Å²	145.4	56%	0.558	81%	0.805	S	S	*	*			cis	-137.3	177.1	29.4	18.1	13.3	0	0	0	112.9
9	F	41.5	Very low	40.9	Very low	192 Å²	192	149.8 Å²	149.8	84%	0.842	81%	0.809	S	S	*	*				-173.3	140.7	63	-78.7	-86.9	0	0	0	111.5
10	L	39.4	Very low	40.9	Very low	163 Å²	163	149.4 Å²	149.4	85%	0.853	81%	0.806	S	S	*	*			trans	-109.8	172	155.2	-87.2	165.9	0	0	0	106.2
11	P	42.7	Very low	41	Very low	106 Å²	106	147.3 Å²	147.3	69%	0.688	80%	0.799	S	S	*	*			cis	-161.9	175.6	40.2	41.9	-17	0	0	0	120.8
12	K	40.4	Very low	41.3	Very low	212 Å²	212	144 Å²	144	92%	0.922	79%	0.785	S	S	*	*			trans	59.5	135.8	135.9	-78.6	175.8	178.8	-179.3	0	125.4
13	G	40.6	Very low	41.5	Very low	70 Å²	70	138.9 Å²	138.9	72%	0.722	78%	0.78	S	S	*	*			trans	156.4	141.6	146.1	0	0	0	0	0	110.5
14	S	42	Very low	42	Very low	119 Å²	119	139.3 Å²	139.3	83%	0.832	78%	0.783	S	S	*	*			cis	175.6	138.9	4	45.4	0	0	0	0	108.7
15	G	40.8	Very low	42.3	Very low	75 Å²	75	143 Å²	143	77%	0.773	80%	0.796	S	S	*	*			trans	61.8	156.7	145.2	0	0	0	0	0	121.6
16	V	44.5	Very low	42.7	Very low	126 Å²	126	139.8 Å²	139.8	76%	0.764	79%	0.794	S	S	*	*			cis	-173.4	134.3	1	142.9	0	0	0	0	108
17	D	39.9	Very low	43.1	Very low	154 Å²	154	135 Å²	135	82%	0.824	79%	0.786	S	S	*	*			trans	64	136.8	144.6	-66.2	-11.1	0	0	0	126.8
18	S	39.9	Very low	43.3	Very low	124 Å²	124	134.3 Å²	134.3	87%	0.867	78%	0.777	S	S	*	*			trans	-143.6	140.8	147	65.5	0	0	0	0	111.7
19	R	40.2	Very low	43.5	Very low	230 Å²	230	138.8 Å²	138.8	87%	0.868	79%	0.787	S	S	*	*			trans	-105.1	137.9	172.9	-90.2	-176	-174.6	168.5	2.6	111
20	N	41	Very low	43.8	Very low	140 Å²	140	137.2 Å²	137.2	75%	0.749	78%	0.782	S	S	*	*			trans	62.8	143.7	138.7	-71.3	4.5	0	0	0	120.6
21	T	43.5	Very low	44.4	Very low	107 Å²	107	134.4 Å²	134.4	66%	0.656	77%	0.768	S	S	*	*			cis	-175.6	157.7	-1.7	23.7	0	0	0	0	109.2
22	N	43.6	Very low	44.9	Very low	161 Å²	161	132.9 Å²	132.9	86%	0.861	76%	0.757	S	S	*	*			trans	87.2	127	149.7	-63.2	-14.5	0	0	0	121.2
23	G	44.1	Very low	45.4	Very low	69 Å²	69	129 Å²	129	71%	0.711	75%	0.745	S	S	*	*			trans	145.6	77.7	155.8	0	0	0	0	0	117
24	D	47.8	Very low	46	Very low	152 Å²	152	129.8 Å²	129.8	81%	0.813	73%	0.733	S	S	*	*			trans	75.9	83.1	141.4	-55.8	-20.8	0	0	0	121.8	S26	D24-S26 PolarHBondContact O-N 3.4Å
25	N	44.4	Very low	46.6	Very low	163 Å²	163	133 Å²	133	87%	0.872	73%	0.726	S	S	*	*	T	Hydrogen-bonded Turn	trans	-70.6	99.7	159.5	-71.3	-44.3	0	0	0	112.1
26	S	51.5	Low	47.3	Very low	108 Å²	108	136.4 Å²	136.4	76%	0.755	72%	0.722	S	S	*	*	T	Hydrogen-bonded Turn	trans	-166.6	-16.6	150.9	54.8	0	0	0	0	114.5	D24	D24-S26 PolarHBondContact O-N 3.4Å
27	L	48.1	Very low	48.1	Very low	146 Å²	146	132.4 Å²	132.4	76%	0.764	70%	0.7	S	S	*	*	S	Bend	trans	-96.5	-8.7	-179.6	-110.9	117.2	0	0	0	115.6
28	L	48.4	Very low	49.5	Very low	117 Å²	117	132 Å²	132	61%	0.613	69%	0.691	S	S	*	*	S	Bend	trans	-85.2	-10.8	-173	-105.4	130	0	0	0	115.2	T32	L28-T32 PolarHBondContact O-N 2.85Å; L28-T32 PolarHBondContact O-OG1 3.23Å
29	K	49.3	Very low	50.8	Low	180 Å²	180	131.2 Å²	131.2	78%	0.783	68%	0.676	S	S	*	*	H	α-helix	trans	-78.5	-23	-175.6	-140.7	174.8	-175.4	-179.2	0	113.5	T32	K29-T32 PolarHBondContact O-OG1 3.49Å
30	H	48	Very low	52.4	Low	159 Å²	159	127.2 Å²	127.2	74%	0.736	67%	0.668	S	S	*	*	H	α-helix	trans	-87.1	-22	174.7	-147	-59.9	0	0	0	112.9
31	N	51.8	Low	53.9	Low	105 Å²	105	129.7 Å²	129.7	56%	0.561	67%	0.666	S	S	*	*	H	α-helix	trans	-85.8	-19	178.9	-81.6	-20.7	0	0	0	113.7	R35	N31-R35 VanDerWaalsContact O-CB 3.25Å; N31-R35 WeakPolarHBondContact O-CB 3.25Å; N31-R35 PolarHBondContact O-N 3.38Å
32	T	52.1	Low	55.6	Low	73 Å²	73	127.7 Å²	127.7	45%	0.448	66%	0.657	S	S	.	*	H	α-helix	trans	-82.1	-38.1	-178.4	30.3	0	0	0	0	112.9	L28 K29 N34 R35 Q36	L28-T32 PolarHBondContact O-N 2.85Å; L28-T32 PolarHBondContact O-OG1 3.23Å; K29-T32 PolarHBondContact O-OG1 3.49Å; T32-N34 VanDerWaalsContact C-N 3.34Å; T32-N34 PolarHBondContact O-N 3.31Å; T32-R35 PolarHBondContact O-N 3.37Å; T32-Q36 PolarHBondContact O-N 3.25Å
33	I	52.1	Low	57.4	Low	130 Å²	130	124.9 Å²	124.9	67%	0.667	64%	0.642	S	S	*	*	H	α-helix	trans	-68	-35.8	174.1	-61.6	173.2	0	0	0	111	R35 S37	I33-R35 VanDerWaalsContact C-N 3.32Å; I33-R35 PolarHBondContact O-N 3.44Å; I33-S37 PolarHBondContact O-N 3.46Å
34	N	52.3	Low	59.3	Low	88 Å²	88	126.5 Å²	126.5	47%	0.471	63%	0.633	S	S	.	*	H	α-helix	trans	-78.3	-14.7	178.7	-143.7	6.7	0	0	0	113.5	T32 S37 K38	T32-N34 VanDerWaalsContact C-N 3.34Å; T32-N34 PolarHBondContact O-N 3.31Å; N34-S37 PolarHBondContact O-OG 3.37Å; N34-K38 VanDerWaalsContact O-CG 3.3Å; N34-K38 WeakPolarHBondContact O-CG 3.3Å
35	R	55	Low	61	Low	185 Å²	185	122.6 Å²	122.6	70%	0.698	62%	0.618	S	S	*	*	H	α-helix	trans	-90.3	-32.5	177.5	-161.8	174.4	-172.3	-172.8	2.1	112.1	N31 T32 I33 L39	N31-R35 VanDerWaalsContact O-CB 3.25Å; N31-R35 WeakPolarHBondContact O-CB 3.25Å; N31-R35 PolarHBondContact O-N 3.38Å; T32-R35 PolarHBondContact O-N 3.37Å; I33-R35 VanDerWaalsContact C-N 3.32Å; I33-R35 PolarHBondContact O-N 3.44Å; R35-L39 PolarHBondContact O-N 3.36Å; R35-L39 VanDerWaalsContact O-N 3.11Å
36	Q	56.8	Low	63.1	Low	148 Å²	148	119 Å²	119	69%	0.692	60%	0.598	S	S	*	*	H	α-helix	trans	-68.5	-41.3	173.1	-113.9	176.1	-22.1	0	0	112	T32 L39 Q40	T32-Q36 PolarHBondContact O-N 3.25Å; Q36-L39 PolarHBondContact O-N 3.11Å; Q36-Q40 PolarHBondContact O-N 3.25Å; Q36-Q40 VanDerWaalsContact O-N 3.11Å
37	S	60.5	Low	64.9	Low	42 Å²	42	118.9 Å²	118.9	29%	0.294	59%	0.588	S	S	.	*	H	α-helix	trans	-63.5	-43.8	173.9	68.4	0	0	0	0	111.5	I33 N34 L39 Q40 W41	I33-S37 PolarHBondContact O-N 3.46Å; N34-S37 PolarHBondContact O-OG 3.37Å; S37-L39 VanDerWaalsContact C-N 3.33Å; S37-L39 PolarHBondContact O-N 2.94Å; S37-Q40 PolarHBondContact O-N 3.25Å; S37-W41 PolarHBondContact O-N 3.11Å
38	K	68.8	Low	67	Low	144 Å²	144	116.2 Å²	116.2	63%	0.626	58%	0.577	S	S	*	*	H	α-helix	trans	-60.6	-37.9	176.4	-80.4	-178	178.9	-174.5	0	113.3	N34 S42	N34-K38 VanDerWaalsContact O-CG 3.3Å; N34-K38 WeakPolarHBondContact O-CG 3.3Å; K38-S42 WeakPolarHBondContact O-CB 3.26Å; K38-S42 PolarHBondContact O-N 2.98Å
39	L	67.6	Low	69	Low	108 Å²	108	114.4 Å²	114.4	57%	0.565	57%	0.571	S	S	*	*	H	α-helix	trans	-69.1	-40.6	176	-109.6	109.4	0	0	0	112.5	R35 Q36 S37 S42 L43	R35-L39 PolarHBondContact O-N 3.36Å; R35-L39 VanDerWaalsContact O-N 3.11Å; Q36-L39 PolarHBondContact O-N 3.11Å; S37-L39 VanDerWaalsContact C-N 3.33Å; S37-L39 PolarHBondContact O-N 2.94Å; L39-S42 PolarHBondContact O-N 3.35Å; L39-L43 PolarHBondContact O-N 3.32Å
40	Q	73.2	Confident	71.1	Confident	147 Å²	147	110.1 Å²	110.1	69%	0.687	56%	0.555	S	S	*	*	H	α-helix	trans	-64	-42.8	175	-103.7	-179.8	-43	0	0	112.2	Q36 S37 S42 L43 L44	Q36-Q40 PolarHBondContact O-N 3.25Å; Q36-Q40 VanDerWaalsContact O-N 3.11Å; S37-Q40 PolarHBondContact O-N 3.25Å; Q40-S42 VanDerWaalsContact C-N 3.34Å; Q40-S42 PolarHBondContact O-N 2.98Å; Q40-L43 PolarHBondContact O-N 3.37Å; Q40-L44 WeakPolarHBondContact O-CB 3.36Å; Q40-L44 PolarHBondContact O-N 3.5Å
41	W	73.5	Confident	73.2	Confident	191 Å²	191	109 Å²	109	72%	0.723	55%	0.549	S	S	*	.	H	α-helix	trans	-65.5	-34.9	175.5	-83.8	96.4	0	0	0	112.7	S37 S45	S37-W41 PolarHBondContact O-N 3.11Å; W41-S45 VanDerWaalsContact O-CB 3.31Å; W41-S45 WeakPolarHBondContact O-CB 3.31Å; W41-S45 PolarHBondContact O-N 3.01Å
42	S	78.5	Confident	75.1	Confident	65 Å²	65	106.5 Å²	106.5	46%	0.455	54%	0.539	S	S	.	.	H	α-helix	trans	-66.7	-45.6	174.7	-173.6	0	0	0	0	112.3	K38 L39 Q40 L44 S45 I46	K38-S42 WeakPolarHBondContact O-CB 3.26Å; K38-S42 PolarHBondContact O-N 2.98Å; L39-S42 PolarHBondContact O-N 3.35Å; Q40-S42 VanDerWaalsContact C-N 3.34Å; Q40-S42 PolarHBondContact O-N 2.98Å; S42-L44 PolarHBondContact O-N 3.49Å; S42-S45 WeakPolarHBondContact O-CB 3.43Å; S42-S45 PolarHBondContact O-N 3.01Å; S42-I46 WeakPolarHBondContact O-CG1 3.31Å; S42-I46 PolarHBondContact O-N 3.5Å
43	L	81.6	Confident	77	Confident	103 Å²	103	106 Å²	106	54%	0.539	54%	0.536	S	S	.	.	H	α-helix	trans	-63	-42.4	175.8	-80	163.7	0	0	0	112	L39 Q40 S45 I46 I47	L39-L43 PolarHBondContact O-N 3.32Å; Q40-L43 PolarHBondContact O-N 3.37Å; L43-S45 VanDerWaalsContact C-N 3.35Å; L43-S45 PolarHBondContact O-N 3.01Å; L43-I46 PolarHBondContact O-N 2.98Å; L43-I47 VanDerWaalsContact O-CG1 3.31Å; L43-I47 WeakPolarHBondContact O-CG1 3.39Å; L43-I47 PolarHBondContact O-N 3.49Å
44	L	84.1	Confident	79	Confident	103 Å²	103	104.9 Å²	104.9	54%	0.539	53%	0.531	S	S	.	.	H	α-helix	trans	-63.1	-42.2	176.8	-157.9	83.3	0	0	0	111.4	Q40 S42 I47 V48	Q40-L44 WeakPolarHBondContact O-CB 3.36Å; Q40-L44 PolarHBondContact O-N 3.5Å; S42-L44 PolarHBondContact O-N 3.49Å; L44-I47 PolarHBondContact O-N 3.43Å; L44-V48 VanDerWaalsContact O-CG2 3.26Å; L44-V48 WeakPolarHBondContact O-CG2 3.47Å; L44-V48 PolarHBondContact O-N 3.36Å
45	S	83.9	Confident	80.8	Confident	69 Å²	69	105.2 Å²	105.2	48%	0.483	53%	0.532	S	S	.	.	H	α-helix	trans	-59.2	-46.8	175	172	0	0	0	0	112.2	W41 S42 L43 I47 V48 V49	W41-S45 VanDerWaalsContact O-CB 3.31Å; W41-S45 WeakPolarHBondContact O-CB 3.31Å; W41-S45 PolarHBondContact O-N 3.01Å; S42-S45 WeakPolarHBondContact O-CB 3.43Å; S42-S45 PolarHBondContact O-N 3.01Å; L43-S45 VanDerWaalsContact C-N 3.35Å; L43-S45 PolarHBondContact O-N 3.01Å; S45-I47 PolarHBondContact O-N 2.92Å; S45-V48 PolarHBondContact O-N 3.47Å; S45-V49 WeakPolarHBondContact O-CG2 3.39Å; S45-V49 PolarHBondContact O-N 3.28Å
46	I	87.9	Confident	82.5	Confident	88 Å²	88	102.3 Å²	102.3	45%	0.451	53%	0.53	S	S	.	.	H	α-helix	trans	-62.9	-43	178.6	-67.1	166.6	0	0	0	111	S42 L43 V48 V49 I50	S42-I46 WeakPolarHBondContact O-CG1 3.31Å; S42-I46 PolarHBondContact O-N 3.5Å; L43-I46 PolarHBondContact O-N 2.98Å; I46-V48 VanDerWaalsContact C-N 3.35Å; I46-V48 PolarHBondContact O-N 2.94Å; I46-V49 PolarHBondContact O-N 2.81Å; I46-I50 HydrophobicContact CG2-CD1 3.81Å; I46-I50 HydrophobicContact CG2-CG1 4.45Å; I46-I50 WeakPolarHBondContact O-CG1 3.34Å; I46-I50 PolarHBondContact O-N 3.47Å
47	I	90	Very high	84.1	Confident	106 Å²	106	100.4 Å²	100.4	54%	0.544	52%	0.524	S	S	.	.	H	α-helix	trans	-62.6	-42.2	177.5	-67.4	166.7	0	0	0	110.8	L43 L44 S45 V49 I50 F51	L43-I47 VanDerWaalsContact O-CG1 3.31Å; L43-I47 WeakPolarHBondContact O-CG1 3.39Å; L43-I47 PolarHBondContact O-N 3.49Å; L44-I47 PolarHBondContact O-N 3.43Å; S45-I47 PolarHBondContact O-N 2.92Å; I47-V49 PolarHBondContact O-N 3.26Å; I47-I50 PolarHBondContact O-N 3.39Å; I47-F51 WeakPolarHBondContact O-CB 3.34Å; I47-F51 PolarHBondContact O-N 2.94Å
48	V	91.1	Very high	85.3	Confident	90 Å²	90	101.6 Å²	101.6	55%	0.545	53%	0.532	S	S	.	.	H	α-helix	trans	-65.3	-37.9	177.2	172	0	0	0	0	111.7	L44 S45 I46 F51 S52	L44-V48 VanDerWaalsContact O-CG2 3.26Å; L44-V48 WeakPolarHBondContact O-CG2 3.47Å; L44-V48 PolarHBondContact O-N 3.36Å; S45-V48 PolarHBondContact O-N 3.47Å; I46-V48 VanDerWaalsContact C-N 3.35Å; I46-V48 PolarHBondContact O-N 2.94Å; V48-F51 PolarHBondContact O-N 3.04Å; V48-S52 WeakPolarHBondContact O-CB 3.34Å; V48-S52 PolarHBondContact O-N 2.95Å; V48-S52 PolarHBondContact O-OG 3.5Å
49	V	91.9	Very high	86.1	Confident	79 Å²	79	99.6 Å²	99.6	48%	0.479	53%	0.526	S	S	.	.	H	α-helix	trans	-68	-42.2	175.9	173.4	0	0	0	0	111.5	S45 I46 I47 F51 S52 T53	S45-V49 WeakPolarHBondContact O-CG2 3.39Å; S45-V49 PolarHBondContact O-N 3.28Å; I46-V49 PolarHBondContact O-N 2.81Å; I47-V49 PolarHBondContact O-N 3.26Å; V49-F51 VanDerWaalsContact C-N 3.35Å; V49-F51 PolarHBondContact O-N 3.45Å; V49-S52 WeakPolarHBondContact CA-OG 3.33Å; V49-S52 PolarHBondContact O-N 2.91Å; V49-S52 PolarHBondContact O-OG 2.96Å; V49-T53 HydrophobicContact CG1-CG2 4.44Å; V49-T53 WeakPolarHBondContact O-CB 3.36Å; V49-T53 VanDerWaalsContact O-CG2 3.29Å; V49-T53 WeakPolarHBondContact O-CG2 3.36Å; V49-T53 PolarHBondContact O-N 2.91Å; V49-T53 PolarHBondContact O-OG1 3Å
50	I	93.3	Very high	86.7	Confident	90 Å²	90	101.8 Å²	101.8	46%	0.462	53%	0.528	S	S	.	.	H	α-helix	trans	-64.4	-41.9	175.7	-66.9	168.7	0	0	0	110.6	I46 I47 T53 L54	I46-I50 HydrophobicContact CG2-CD1 3.81Å; I46-I50 HydrophobicContact CG2-CG1 4.45Å; I46-I50 WeakPolarHBondContact O-CG1 3.34Å; I46-I50 PolarHBondContact O-N 3.47Å; I47-I50 PolarHBondContact O-N 3.39Å; I50-T53 WeakPolarHBondContact CA-OG1 3.46Å; I50-T53 PolarHBondContact O-N 3.5Å; I50-T53 PolarHBondContact O-OG1 2.92Å; I50-L54 HydrophobicContact CG2-CD1 3.99Å; I50-L54 WeakPolarHBondContact O-CB 3.39Å; I50-L54 WeakPolarHBondContact O-CG 3.3Å; I50-L54 PolarHBondContact O-N 2.84Å
51	F	92.3	Very high	87.1	Confident	136 Å²	136	102.9 Å²	102.9	60%	0.596	53%	0.527	S	S	*	.	H	α-helix	trans	-68.7	-40.9	-179.9	-156.3	-95.5	0	0	0	112.3	I47 V48 V49 L54 L55	I47-F51 WeakPolarHBondContact O-CB 3.34Å; I47-F51 PolarHBondContact O-N 2.94Å; V48-F51 PolarHBondContact O-N 3.04Å; V49-F51 VanDerWaalsContact C-N 3.35Å; V49-F51 PolarHBondContact O-N 3.45Å; F51-L54 PolarHBondContact O-N 3.46Å; F51-L55 HydrophobicContact CD1-CD1 3.71Å; F51-L55 HydrophobicContact CD1-CG 4.17Å; F51-L55 HydrophobicContact CE1-CD1 3.72Å; F51-L55 HydrophobicContact CE1-CG 4.1Å; F51-L55 WeakPolarHBondContact O-CB 3.44Å; F51-L55 WeakPolarHBondContact O-CG 3.36Å; F51-L55 PolarHBondContact O-N 2.95Å
52	S	91.7	Very high	86.8	Confident	52 Å²	52	99.9 Å²	99.9	36%	0.364	52%	0.519	S	S	.	.	H	α-helix	trans	-68.1	-36	176.1	55.1	0	0	0	0	113.1	V48 V49 L55 L56	V48-S52 WeakPolarHBondContact O-CB 3.34Å; V48-S52 PolarHBondContact O-N 2.95Å; V48-S52 PolarHBondContact O-OG 3.5Å; V49-S52 WeakPolarHBondContact CA-OG 3.33Å; V49-S52 PolarHBondContact O-N 2.91Å; V49-S52 PolarHBondContact O-OG 2.96Å; S52-L55 PolarHBondContact O-N 3.01Å; S52-L56 WeakPolarHBondContact O-CB 3.42Å; S52-L56 WeakPolarHBondContact O-CG 3.45Å; S52-L56 PolarHBondContact O-N 3.43Å
53	T	91.5	Very high	86.3	Confident	63 Å²	63	103.7 Å²	103.7	39%	0.387	53%	0.528	S	S	.	.	H	α-helix	trans	-68.6	-41.2	173.8	50.3	0	0	0	0	112.1	V49 I50 L56 I57	V49-T53 HydrophobicContact CG1-CG2 4.44Å; V49-T53 WeakPolarHBondContact O-CB 3.36Å; V49-T53 VanDerWaalsContact O-CG2 3.29Å; V49-T53 WeakPolarHBondContact O-CG2 3.36Å; V49-T53 PolarHBondContact O-N 2.91Å; V49-T53 PolarHBondContact O-OG1 3Å; I50-T53 WeakPolarHBondContact CA-OG1 3.46Å; I50-T53 PolarHBondContact O-N 3.5Å; I50-T53 PolarHBondContact O-OG1 2.92Å; T53-L56 PolarHBondContact O-N 3.47Å; T53-I57 VanDerWaalsContact O-CG1 3.3Å; T53-I57 WeakPolarHBondContact O-CG1 3.5Å; T53-I57 PolarHBondContact O-N 2.96Å
54	L	93.3	Very high	85.4	Confident	105 Å²	105	105 Å²	105	55%	0.55	53%	0.529	S	S	.	.	H	α-helix	trans	-63.9	-39.2	173.3	-74.5	170.3	0	0	0	112.4	I50 F51 I57 S58	I50-L54 HydrophobicContact CG2-CD1 3.99Å; I50-L54 WeakPolarHBondContact O-CB 3.39Å; I50-L54 WeakPolarHBondContact O-CG 3.3Å; I50-L54 PolarHBondContact O-N 2.84Å; F51-L54 PolarHBondContact O-N 3.46Å; L54-I57 PolarHBondContact O-N 3.31Å; L54-S58 WeakPolarHBondContact O-CB 3.44Å; L54-S58 PolarHBondContact O-N 3.49Å
55	L	90.8	Very high	84.2	Confident	95 Å²	95	109 Å²	109	50%	0.497	54%	0.537	S	S	.	.	H	α-helix	trans	-63.7	-41.7	173.8	-81.4	173.8	0	0	0	112.1	F51 S52 S58 M59	F51-L55 HydrophobicContact CD1-CD1 3.71Å; F51-L55 HydrophobicContact CD1-CG 4.17Å; F51-L55 HydrophobicContact CE1-CD1 3.72Å; F51-L55 HydrophobicContact CE1-CG 4.1Å; F51-L55 WeakPolarHBondContact O-CB 3.44Å; F51-L55 WeakPolarHBondContact O-CG 3.36Å; F51-L55 PolarHBondContact O-N 2.95Å; S52-L55 PolarHBondContact O-N 3.01Å; L55-S58 PolarHBondContact O-N 2.94Å; L55-M59 WeakPolarHBondContact O-CB 3.45Å; L55-M59 WeakPolarHBondContact O-CG 3.49Å; L55-M59 PolarHBondContact O-N 3.21Å
56	L	90.8	Very high	82.8	Confident	125 Å²	125	109.4 Å²	109.4	65%	0.654	54%	0.54	S	S	*	.	H	α-helix	trans	-65.9	-40.6	175.9	-76.1	169.2	0	0	0	112.4	S52 T53 M59 Y60	S52-L56 WeakPolarHBondContact O-CB 3.42Å; S52-L56 WeakPolarHBondContact O-CG 3.45Å; S52-L56 PolarHBondContact O-N 3.43Å; T53-L56 PolarHBondContact O-N 3.47Å; L56-M59 PolarHBondContact O-N 3.21Å; L56-Y60 VanDerWaalsContact O-CB 3.26Å; L56-Y60 WeakPolarHBondContact O-CB 3.29Å; L56-Y60 PolarHBondContact O-N 3.13Å
57	I	90.1	Very high	81.2	Confident	108 Å²	108	113.9 Å²	113.9	55%	0.554	56%	0.557	S	S	*	*	H	α-helix	trans	-65.1	-42.4	175.6	-67.9	164.9	0	0	0	110.5	T53 L54 Y60 Y61	T53-I57 VanDerWaalsContact O-CG1 3.3Å; T53-I57 WeakPolarHBondContact O-CG1 3.5Å; T53-I57 PolarHBondContact O-N 2.96Å; L54-I57 PolarHBondContact O-N 3.31Å; I57-Y60 PolarHBondContact O-N 3.15Å; I57-Y61 WeakPolarHBondContact O-CB 3.48Å; I57-Y61 PolarHBondContact O-N 2.94Å
58	S	84.9	Confident	79.2	Confident	67 Å²	67	110.7 Å²	110.7	47%	0.469	54%	0.544	S	S	.	.	H	α-helix	trans	-64.4	-44.4	176.7	-178.5	0	0	0	0	112	L54 L55 Y61 F62	L54-S58 WeakPolarHBondContact O-CB 3.44Å; L54-S58 PolarHBondContact O-N 3.49Å; L55-S58 PolarHBondContact O-N 2.94Å; S58-Y61 PolarHBondContact O-N 3.41Å; S58-F62 WeakPolarHBondContact O-CB 3.46Å; S58-F62 PolarHBondContact O-N 3.48Å
59	M	86.4	Confident	77.3	Confident	102 Å²	102	110.1 Å²	110.1	50%	0.502	53%	0.534	S	S	.	.	H	α-helix	trans	-66.3	-38.2	175.1	-76.9	-70.7	99.9	0	0	112.6	L55 L56 F62 F63	L55-M59 WeakPolarHBondContact O-CB 3.45Å; L55-M59 WeakPolarHBondContact O-CG 3.49Å; L55-M59 PolarHBondContact O-N 3.21Å; L56-M59 PolarHBondContact O-N 3.21Å; M59-F62 HydrophobicContact CE-CB 4.07Å; M59-F62 HydrophobicContact CE-CG 4.31Å; M59-F62 PolarHBondContact O-N 3.05Å; M59-F63 WeakPolarHBondContact O-CB 3.46Å; M59-F63 PolarHBondContact O-N 3.19Å
60	Y	80.3	Confident	75.2	Confident	153 Å²	153	109.5 Å²	109.5	60%	0.6	54%	0.543	S	S	*	.	H	α-helix	trans	-59.2	-48.7	171.1	178.6	-99.9	0	0	0	110.4	L56 I57 F62 F63 F64	L56-Y60 VanDerWaalsContact O-CB 3.26Å; L56-Y60 WeakPolarHBondContact O-CB 3.29Å; L56-Y60 PolarHBondContact O-N 3.13Å; I57-Y60 PolarHBondContact O-N 3.15Å; Y60-F62 VanDerWaalsContact C-N 3.32Å; Y60-F62 PolarHBondContact O-N 3.34Å; Y60-F63 PolarHBondContact O-N 3.2Å; Y60-F64 HydrophobicContact CE1-CD2 4.04Å; Y60-F64 HydrophobicContact CE1-CE2 4.43Å; Y60-F64 HydrophobicContact CE2-CD2 4.08Å; Y60-F64 HydrophobicContact CE2-CE2 4.36Å; Y60-F64 AromaticContact CZ-CD2 3.69Å; Y60-F64 AromaticContact CZ-CE2 3.81Å; Y60-F64 VanDerWaalsContact O-CB 3.27Å; Y60-F64 WeakPolarHBondContact O-CB 3.4Å; Y60-F64 PolarHBondContact O-N 2.82Å; Y60-F64 WeakPolarHBondContact OH-CE2 3.38Å
61	Y	82.2	Confident	73.4	Confident	171 Å²	171	108.8 Å²	108.8	67%	0.671	54%	0.54	S	S	*	.	H	α-helix	trans	-63.4	-36.2	176.8	-148	-88.6	0	0	0	112.4	I57 S58 R65	I57-Y61 WeakPolarHBondContact O-CB 3.48Å; I57-Y61 PolarHBondContact O-N 2.94Å; S58-Y61 PolarHBondContact O-N 3.41Å; Y61-R65 WeakPolarHBondContact O-CB 3.26Å; Y61-R65 PolarHBondContact O-N 3.4Å
62	F	65.6	Low	71.8	Confident	127 Å²	127	104.9 Å²	104.9	56%	0.557	53%	0.525	S	S	*	.	H	α-helix	trans	-71.8	-39.4	178.1	-161.6	-91.1	0	0	0	112.1	S58 M59 Y60 R65 S66	S58-F62 WeakPolarHBondContact O-CB 3.46Å; S58-F62 PolarHBondContact O-N 3.48Å; M59-F62 HydrophobicContact CE-CB 4.07Å; M59-F62 HydrophobicContact CE-CG 4.31Å; M59-F62 PolarHBondContact O-N 3.05Å; Y60-F62 VanDerWaalsContact C-N 3.32Å; Y60-F62 PolarHBondContact O-N 3.34Å; F62-R65 PolarHBondContact O-N 3.29Å; F62-S66 WeakPolarHBondContact CE1-OG 3.34Å; F62-S66 WeakPolarHBondContact O-CB 3.38Å; F62-S66 PolarHBondContact O-N 3.47Å; F62-S66 PolarHBondContact O-OG 3.41Å
63	F	69.2	Low	70.4	Confident	145 Å²	145	105.9 Å²	105.9	64%	0.636	53%	0.532	S	S	*	.	H	α-helix	trans	-67.2	-42.6	170.4	-110.9	-88.6	0	0	0	111.3	M59 Y60 R65 S66 F67	M59-F63 WeakPolarHBondContact O-CB 3.46Å; M59-F63 PolarHBondContact O-N 3.19Å; Y60-F63 PolarHBondContact O-N 3.2Å; F63-R65 VanDerWaalsContact C-N 3.26Å; F63-R65 PolarHBondContact O-N 3.29Å; F63-S66 PolarHBondContact O-N 3.41Å; F63-F67 WeakPolarHBondContact O-CB 3.32Å; F63-F67 PolarHBondContact O-N 2.94Å
64	F	61.3	Low	69.3	Low	131 Å²	131	103.6 Å²	103.6	58%	0.575	52%	0.517	S	S	*	.	H	α-helix	trans	-63.2	-33.9	176.7	-134.3	-91.4	0	0	0	112	Y60 S68	Y60-F64 HydrophobicContact CE1-CD2 4.04Å; Y60-F64 HydrophobicContact CE1-CE2 4.43Å; Y60-F64 HydrophobicContact CE2-CD2 4.08Å; Y60-F64 HydrophobicContact CE2-CE2 4.36Å; Y60-F64 AromaticContact CZ-CD2 3.69Å; Y60-F64 AromaticContact CZ-CE2 3.81Å; Y60-F64 VanDerWaalsContact O-CB 3.27Å; Y60-F64 WeakPolarHBondContact O-CB 3.4Å; Y60-F64 PolarHBondContact O-N 2.82Å; Y60-F64 WeakPolarHBondContact OH-CE2 3.38Å; F64-S68 WeakPolarHBondContact O-CB 3.43Å; F64-S68 PolarHBondContact O-N 2.82Å; F64-S68 PolarHBondContact O-OG 2.9Å
65	R	60	Low	68.3	Low	188 Å²	188	102.7 Å²	102.7	71%	0.709	51%	0.512	S	S	*	.	H	α-helix	trans	-83.6	-24.9	175.4	-164.5	178.5	178.9	-166.6	0.7	114	Y61 F62 F63 S68	Y61-R65 WeakPolarHBondContact O-CB 3.26Å; Y61-R65 PolarHBondContact O-N 3.4Å; F62-R65 PolarHBondContact O-N 3.29Å; F63-R65 VanDerWaalsContact C-N 3.26Å; F63-R65 PolarHBondContact O-N 3.29Å; R65-S68 VanDerWaalsContact C-CB 3.43Å; R65-S68 WeakPolarHBondContact O-CB 3.34Å; R65-S68 PolarHBondContact O-N 2.86Å
66	S	54.9	Low	67.8	Low	77 Å²	77	101.9 Å²	101.9	54%	0.538	51%	0.508	S	S	.	.	H	α-helix	trans	-93.1	-24.6	-179.6	-56	0	0	0	0	113.3	F62 F63	F62-S66 WeakPolarHBondContact CE1-OG 3.34Å; F62-S66 WeakPolarHBondContact O-CB 3.38Å; F62-S66 PolarHBondContact O-N 3.47Å; F62-S66 PolarHBondContact O-OG 3.41Å; F63-S66 PolarHBondContact O-N 3.41Å
67	F	53.4	Low	67.4	Low	182 Å²	182	101.3 Å²	101.3	80%	0.798	51%	0.505	S	S	*	.	S	Bend	trans	-77.9	-12.9	158.7	-117.7	-94.5	0	0	0	111.9	F63 F69	F63-F67 WeakPolarHBondContact O-CB 3.32Å; F63-F67 PolarHBondContact O-N 2.94Å; F67-F69 PolarHBondContact O-N 3.47Å
68	S	48.8	Very low	67	Low	39 Å²	39	99.1 Å²	99.1	27%	0.273	49%	0.494	S	S	.	.	S	Bend	trans	-73.7	105.7	171.5	-100.3	0	0	0	0	110.4	F64 R65	F64-S68 WeakPolarHBondContact O-CB 3.43Å; F64-S68 PolarHBondContact O-N 2.82Å; F64-S68 PolarHBondContact O-OG 2.9Å; R65-S68 VanDerWaalsContact C-CB 3.43Å; R65-S68 WeakPolarHBondContact O-CB 3.34Å; R65-S68 PolarHBondContact O-N 2.86Å
69	F	50.5	Low	67.2	Low	78 Å²	78	96 Å²	96	34%	0.342	47%	0.472	S	S	.	.			trans	80.5	49	145	-44.2	-66.1	0	0	0	118.2	F67 N71 S105 N109	F67-F69 PolarHBondContact O-N 3.47Å; F69-N71 PolarHBondContact O-N 2.79Å; F69-S105 WeakPolarHBondContact CB-OG 3.43Å; F69-S105 WeakPolarHBondContact CD1-O 3.42Å; F69-N109 WeakPolarHBondContact CE1-ND2 3.45Å
70	G	47.9	Very low	67.3	Low	65 Å²	65	92.3 Å²	92.3	67%	0.67	45%	0.453	S	S	*	.			trans	-61.8	127	154.7	0	0	0	0	0	110.1	M72	G70-M72 PolarHBondContact O-N 3.28Å
71	N	55.5	Low	67.7	Low	76 Å²	76	86.5 Å²	86.5	41%	0.406	43%	0.434	S	S	.	.			trans	-55.2	107.6	173.6	-68.7	-26.1	0	0	0	109.1	F69 S73 R102 F103	F69-N71 PolarHBondContact O-N 2.79Å; N71-S73 PolarHBondContact O-N 3.25Å; N71-R102 HydrophobicContact CB-CB 3.78Å; N71-F103 PolarHBondContact OD1-O 3.47Å
72	M	58.1	Low	68	Low	54 Å²	54	87.2 Å²	87.2	27%	0.266	44%	0.44	S	S	.	.	P	Polyproline II helix	trans	-71.3	125.1	-178.7	-179.5	172.6	158.4	0	0	109.5	G70 F103 T108 F111	G70-M72 PolarHBondContact O-N 3.28Å; M72-F103 PolarHBondContact O-N 2.82Å; M72-T108 HydrophobicContact CB-CG2 4.1Å; M72-F111 HydrophobicContact CE-CB 4.08Å; M72-F111 HydrophobicContact SD-CB 3.91Å
73	S	62	Low	69.1	Low	73 Å²	73	83.5 Å²	83.5	51%	0.51	42%	0.424	S	S	.	.	B	Isolated β-bridge	trans	-71.6	133.4	165.1	55.4	0	0	0	0	108.8	N71 N75	N71-S73 PolarHBondContact O-N 3.25Å; S73-N75 PolarHBondContact O-N 3.03Å
74	L	68.8	Low	69.9	Low	14 Å²	14	77.5 Å²	77.5	7%	0.073	40%	0.399	C	S	.	.	P	Polyproline II helix	trans	-59.3	129.6	171.8	-171.9	82.8	0	0	0	108.9	I76 M78 L79 F96 F103 W306	L74-I76 PolarHBondContact O-N 2.97Å; L74-M78 HydrophobicContact CD1-CB 3.99Å; L74-M78 HydrophobicContact CD1-CE 3.76Å; L74-M78 HydrophobicContact CD1-SD 3.73Å; L74-M78 HydrophobicContact CD2-CB 4.38Å; L74-M78 HydrophobicContact CG-CB 4.05Å; L74-M78 HydrophobicContact CG-SD 4.27Å; L74-L79 HydrophobicContact CD2-CD2 3.27Å; L74-L79 HydrophobicContact CD2-CG 3.66Å; L74-F96 HydrophobicContact CD2-CD1 4.24Å; L74-F96 HydrophobicContact CD2-CE1 3.97Å; L74-F103 HydrophobicContact CB-CE2 4.01Å; L74-F103 HydrophobicContact CD1-CE2 3.59Å; L74-F103 HydrophobicContact CD1-CZ 3.78Å; L74-F103 HydrophobicContact CG-CE2 4.41Å; L74-W306 HydrophobicContact CD1-CH2 3.87Å; L74-W306 HydrophobicContact CD1-CZ2 3.72Å; L74-W306 HydrophobicContact CD2-CD2 4.36Å; L74-W306 HydrophobicContact CD2-CZ2 4.21Å
75	N	73.1	Confident	71.1	Confident	86 Å²	86	71.2 Å²	71.2	46%	0.46	37%	0.372	S	S	.	.	P	Polyproline II helix	trans	-62.7	129.3	171.1	180	-14.5	0	0	0	108.2	S73 D77 M78	S73-N75 PolarHBondContact O-N 3.03Å; N75-D77 PolarHBondContact O-N 3.45Å; N75-D77 VanDerWaalsContact O-N 3.09Å; N75-D77 PolarHBondContact OD1-N 2.94Å; N75-M78 HydrophobicContact CB-CG 4.09Å; N75-M78 HydrophobicContact CB-SD 4.15Å; N75-M78 WeakPolarHBondContact O-CA 3.34Å; N75-M78 VanDerWaalsContact O-CB 3.23Å; N75-M78 WeakPolarHBondContact O-CB 3.36Å; N75-M78 PolarHBondContact O-N 3.37Å
76	I	79.8	Confident	72.4	Confident	78 Å²	78	62.4 Å²	62.4	40%	0.4	34%	0.34	S	S	.	.	G	3₁₀ helix	trans	-50	-35.5	178.6	-70.9	163.7	0	0	0	112.1	L74 M78 L79 Y97	L74-I76 PolarHBondContact O-N 2.97Å; I76-M78 PolarHBondContact O-N 2.81Å; I76-L79 VanDerWaalsContact O-CB 3.26Å; I76-L79 WeakPolarHBondContact O-CB 3.39Å; I76-L79 PolarHBondContact O-N 3.37Å; I76-Y97 HydrophobicContact CB-CE1 4.45Å; I76-Y97 HydrophobicContact CD1-CD1 3.64Å; I76-Y97 HydrophobicContact CD1-CE1 4.16Å; I76-Y97 HydrophobicContact CG1-CD1 3.8Å; I76-Y97 HydrophobicContact CG1-CE1 4.07Å; I76-Y97 HydrophobicContact CG2-CD1 4.2Å; I76-Y97 HydrophobicContact CG2-CE1 3.59Å
77	D	81.5	Confident	74.1	Confident	113 Å²	113	58.8 Å²	58.8	60%	0.604	31%	0.314	S	S	*	.	G	3₁₀ helix	trans	-63	-29.2	178.4	-68.9	-37.4	0	0	0	112.6	N75 L79 E80	N75-D77 PolarHBondContact O-N 3.45Å; N75-D77 VanDerWaalsContact O-N 3.09Å; N75-D77 PolarHBondContact OD1-N 2.94Å; D77-L79 PolarHBondContact O-N 3.05Å; D77-E80 PolarHBondContact O-N 3.22Å
78	M	83.2	Confident	76	Confident	62 Å²	62	50.1 Å²	50.1	31%	0.305	28%	0.276	S	S	.	.	G	3₁₀ helix	trans	-70.5	-17.1	176.3	-58.4	176.3	68.4	0	0	113	L74 N75 I76 E80 F111 W306	L74-M78 HydrophobicContact CD1-CB 3.99Å; L74-M78 HydrophobicContact CD1-CE 3.76Å; L74-M78 HydrophobicContact CD1-SD 3.73Å; L74-M78 HydrophobicContact CD2-CB 4.38Å; L74-M78 HydrophobicContact CG-CB 4.05Å; L74-M78 HydrophobicContact CG-SD 4.27Å; N75-M78 HydrophobicContact CB-CG 4.09Å; N75-M78 HydrophobicContact CB-SD 4.15Å; N75-M78 WeakPolarHBondContact O-CA 3.34Å; N75-M78 VanDerWaalsContact O-CB 3.23Å; N75-M78 WeakPolarHBondContact O-CB 3.36Å; N75-M78 PolarHBondContact O-N 3.37Å; I76-M78 PolarHBondContact O-N 2.81Å; M78-E80 PolarHBondContact O-N 2.87Å; M78-F111 HydrophobicContact CE-CD1 4.09Å; M78-F111 HydrophobicContact CE-CE1 4.21Å; M78-W306 PolarHBondContact O-NE1 3.11Å
79	L	88.3	Confident	78	Confident	1 Å²	1	48.2 Å²	48.2	1%	0.005	26%	0.263	C	S	.	.	G	3₁₀ helix	trans	-70.9	-22.6	175.5	-65.9	167.2	0	0	0	111.5	L74 I76 D77 V81 F96 C303 G304 R305 W306	L74-L79 HydrophobicContact CD2-CD2 3.27Å; L74-L79 HydrophobicContact CD2-CG 3.66Å; I76-L79 VanDerWaalsContact O-CB 3.26Å; I76-L79 WeakPolarHBondContact O-CB 3.39Å; I76-L79 PolarHBondContact O-N 3.37Å; D77-L79 PolarHBondContact O-N 3.05Å; L79-V81 HydrophobicContact CB-CG2 3.57Å; L79-V81 HydrophobicContact CD1-CG2 4.28Å; L79-V81 PolarHBondContact O-N 2.76Å; L79-F96 HydrophobicContact CD1-CB 3.73Å; L79-F96 HydrophobicContact CD1-CD1 4.1Å; L79-F96 HydrophobicContact CD1-CG 3.9Å; L79-F96 HydrophobicContact CD2-CD1 3.71Å; L79-F96 HydrophobicContact CD2-CD2 4.24Å; L79-F96 HydrophobicContact CD2-CE1 3.71Å; L79-F96 HydrophobicContact CD2-CE2 4.24Å; L79-F96 HydrophobicContact CD2-CG 3.97Å; L79-F96 HydrophobicContact CD2-CZ 3.98Å; L79-F96 HydrophobicContact CG-CD1 4.43Å; L79-C303 HydrophobicContact CD2-CB 4.39Å; L79-G304 CarbonylContact O-C 3.58Å; L79-G304 VanDerWaalsContact O-CA 3.23Å; L79-G304 WeakPolarHBondContact O-CA 3.42Å; L79-R305 PolarHBondContact O-N 3.17Å; L79-W306 HydrophobicContact CD2-CB 4.19Å; L79-W306 HydrophobicContact CD2-CG 4.01Å
80	E	88.8	Confident	80	Confident	25 Å²	25	48.2 Å²	48.2	12%	0.117	26%	0.264	C	S	.	.	T	Hydrogen-bonded Turn	trans	56.8	31	-176.2	-59	177.3	-120.9	0	0	113.2	D77 M78 K82 K83 P149 R305	D77-E80 PolarHBondContact O-N 3.22Å; M78-E80 PolarHBondContact O-N 2.87Å; E80-K82 PolarHBondContact O-N 3.31Å; E80-K82 VanDerWaalsContact O-N 3.11Å; E80-K83 HydrophobicContact CB-CD 4.16Å; E80-K83 HydrophobicContact CB-CG 4.29Å; E80-K83 WeakPolarHBondContact O-CB 3.12Å; E80-K83 PolarHBondContact O-N 3.25Å; E80-K83 VanDerWaalsContact OE2-CD 3.26Å; E80-K83 WeakPolarHBondContact OE2-CD 3.32Å; E80-K83 WeakPolarHBondContact OE2-CE 3.34Å; E80-K83 IonicContact OE2-NZ 2.63Å; E80-K83 PolarHBondContact OE2-NZ 2.92Å; E80-P149 VanDerWaalsContact OE1-CB 3.3Å; E80-P149 WeakPolarHBondContact OE1-CB 3.41Å; E80-P149 WeakPolarHBondContact OE1-CG 3.14Å; E80-R305 HydrophobicContact CB-CB 4.47Å; E80-R305 HydrophobicContact CB-CG 4.14Å; E80-R305 WeakPolarHBondContact OE2-CD 3.43Å; E80-R305 IonicContact OE2-CZ 3.93Å; E80-R305 IonicContact OE2-NE 3.84Å; E80-R305 IonicContact OE2-NH1 3.82Å; E80-R305 PolarHBondContact OE2-NH1 2.94Å
81	V	88.9	Confident	82.1	Confident	31 Å²	31	47.5 Å²	47.5	19%	0.188	25%	0.249	C	C	.	.	G	3₁₀ helix	trans	-55.6	-33.1	-178.2	-174.2	0	0	0	0	112.2	L79 K83 C84	L79-V81 HydrophobicContact CB-CG2 3.57Å; L79-V81 HydrophobicContact CD1-CG2 4.28Å; L79-V81 PolarHBondContact O-N 2.76Å; V81-K83 PolarHBondContact O-N 3.49Å; V81-K83 VanDerWaalsContact O-N 3.12Å; V81-C84 PolarHBondContact O-N 3.47Å; V81-C84 PolarHBondContact O-SG 2.88Å; V81-C84 VanDerWaalsContact O-SG 3.32Å
82	K	88.4	Confident	83.8	Confident	186 Å²	186	44.2 Å²	44.2	81%	0.809	23%	0.231	S	C	*	.	G	3₁₀ helix	trans	-63.8	-14.2	177.2	-64	178.5	-178	168.9	0	114	E80	E80-K82 PolarHBondContact O-N 3.31Å; E80-K82 VanDerWaalsContact O-N 3.11Å
83	K	88	Confident	85.5	Confident	50 Å²	50	42.1 Å²	42.1	22%	0.217	22%	0.222	C	C	.	.	G	3₁₀ helix	trans	-88.8	-1.4	179	-62.8	-168.5	-175.9	175.9	0	113.8	E80 V81 G86 D153	E80-K83 HydrophobicContact CB-CD 4.16Å; E80-K83 HydrophobicContact CB-CG 4.29Å; E80-K83 WeakPolarHBondContact O-CB 3.12Å; E80-K83 PolarHBondContact O-N 3.25Å; E80-K83 VanDerWaalsContact OE2-CD 3.26Å; E80-K83 WeakPolarHBondContact OE2-CD 3.32Å; E80-K83 WeakPolarHBondContact OE2-CE 3.34Å; E80-K83 IonicContact OE2-NZ 2.63Å; E80-K83 PolarHBondContact OE2-NZ 2.92Å; V81-K83 PolarHBondContact O-N 3.49Å; V81-K83 VanDerWaalsContact O-N 3.12Å; K83-G86 CarbonylContact O-C 3.59Å; K83-G86 VanDerWaalsContact O-CA 3.24Å; K83-G86 WeakPolarHBondContact O-CA 3.49Å; K83-G86 PolarHBondContact O-N 3.22Å; K83-D153 IonicContact NZ-OD1 2.74Å; K83-D153 PolarHBondContact NZ-OD1 3.23Å; K83-D153 IonicContact NZ-OD2 3.8Å; K83-D153 PolarHBondContact NZ-OD2 3.09Å
84	C	87.3	Confident	86.9	Confident	18 Å²	18	41.4 Å²	41.4	12%	0.122	22%	0.215	C	C	.	.	T	Hydrogen-bonded Turn	trans	-58.1	140.5	173.5	-67.8	0	0	0	0	111.3	V81 G86 C87 Q90 F267	V81-C84 PolarHBondContact O-N 3.47Å; V81-C84 PolarHBondContact O-SG 2.88Å; V81-C84 VanDerWaalsContact O-SG 3.32Å; C84-G86 VanDerWaalsContact C-N 3.32Å; C84-G86 VanDerWaalsContact CA-N 3.34Å; C84-C87 VanDerWaalsContact CA-SG 3.52Å; C84-C87 HydrophobicContact CB-CB 4.05Å; C84-C87 WeakPolarHBondContact CB-SG 3.05Å; C84-C87 WeakPolarHBondContact SG-CB 3.5Å; C84-C87 CovalentContact SG-SG 2.04Å; C84-C87 PolarHBondContact SG-SG 3.43Å; C84-Q90 PolarHBondContact SG-NE2 3.38Å; C84-F267 HydrophobicContact CB-CE2 4.26Å; C84-F267 HydrophobicContact CB-CZ 3.86Å
85	P	85	Confident	87.9	Confident	0 Å²	0	45 Å²	45	0%	0	23%	0.229	C	C	.	.	T	Hydrogen-bonded Turn	cis	-79.1	2.6	12.8	31.1	-34.2	0	0	0	115.3	C87 I184 W185 F267 L270 M271	P85-C87 PolarHBondContact O-N 3.26Å; P85-I184 HydrophobicContact CB-CD1 4.45Å; P85-I184 HydrophobicContact CG-CD1 4.16Å; P85-I184 HydrophobicContact CG-CG1 4.38Å; P85-I184 HydrophobicContact CG-CG2 3.84Å; P85-W185 HydrophobicContact CG-CD2 4.27Å; P85-W185 HydrophobicContact CG-CZ2 3.99Å; P85-F267 HydrophobicContact CB-CD2 3.84Å; P85-F267 HydrophobicContact CB-CE2 3.77Å; P85-F267 HydrophobicContact CB-CG 4.33Å; P85-F267 HydrophobicContact CB-CZ 4.19Å; P85-F267 HydrophobicContact CG-CD2 4.2Å; P85-F267 HydrophobicContact CG-CE2 4.29Å; P85-L270 HydrophobicContact CB-CB 4.05Å; P85-L270 HydrophobicContact CG-CB 4.01Å; P85-L270 HydrophobicContact CG-CD1 4.12Å; P85-M271 HydrophobicContact CB-CB 4.28Å; P85-M271 WeakPolarHBondContact O-CA 3.37Å
86	G	87.3	Confident	88.7	Confident	3 Å²	3	41.6 Å²	41.6	3%	0.031	21%	0.21	C	C	.	.	S	Bend	trans	-78	48.7	174.7	0	0	0	0	0	113.2	K83 C84 I184 F274 R305	K83-G86 CarbonylContact O-C 3.59Å; K83-G86 VanDerWaalsContact O-CA 3.24Å; K83-G86 WeakPolarHBondContact O-CA 3.49Å; K83-G86 PolarHBondContact O-N 3.22Å; C84-G86 VanDerWaalsContact C-N 3.32Å; C84-G86 VanDerWaalsContact CA-N 3.34Å; G86-I184 VanDerWaalsContact CA-CD1 3.4Å; G86-F274 VanDerWaalsContact O-CE1 3.3Å; G86-F274 WeakPolarHBondContact O-CE1 3.17Å; G86-F274 VanDerWaalsContact O-CZ 3.26Å; G86-F274 WeakPolarHBondContact O-CZ 3.5Å; G86-R305 PolarHBondContact O-NE 2.82Å
87	C	91.6	Very high	89.2	Confident	0 Å²	0	43.3 Å²	43.3	0%	0	21%	0.212	C	C	.	.	S	Bend	trans	-136.6	163.5	-174.9	69.1	0	0	0	0	111.6	C84 P85 G89 M271 F274 N275 G304	C84-C87 VanDerWaalsContact CA-SG 3.52Å; C84-C87 HydrophobicContact CB-CB 4.05Å; C84-C87 WeakPolarHBondContact CB-SG 3.05Å; C84-C87 WeakPolarHBondContact SG-CB 3.5Å; C84-C87 CovalentContact SG-SG 2.04Å; C84-C87 PolarHBondContact SG-SG 3.43Å; P85-C87 PolarHBondContact O-N 3.26Å; C87-G89 VanDerWaalsContact C-N 3.34Å; C87-M271 WeakPolarHBondContact O-CG 3.34Å; C87-M271 VanDerWaalsContact SG-SD 3.67Å; C87-F274 WeakPolarHBondContact O-CD1 3.36Å; C87-N275 PolarHBondContact O-ND2 3.23Å; C87-G304 CarbonylContact C-O 3.59Å; C87-G304 WeakPolarHBondContact CB-O 3.33Å
88	A	92.3	Very high	89.6	Confident	0 Å²	0	46 Å²	46	0%	0	21%	0.214	C	C	.	.	S	Bend	trans	-67.6	-37.5	174.9	0	0	0	0	0	111.3	L143 N275 S302 G304	A88-L143 HydrophobicContact CB-CD1 4.27Å; A88-N275 WeakPolarHBondContact CA-OD1 3.5Å; A88-N275 PolarHBondContact O-ND2 3Å; A88-S302 VanDerWaalsContact C-OG 3.3Å; A88-S302 PolarHBondContact O-OG 3Å; A88-G304 WeakPolarHBondContact CA-O 3.39Å; A88-G304 WeakPolarHBondContact CB-O 3.43Å; A88-G304 PolarHBondContact N-O 3.46Å
89	G	92.3	Very high	89.7	Confident	0 Å²	0	44 Å²	44	0%	0	21%	0.208	C	C	.	.	B	Isolated β-bridge	trans	159.6	-163.8	176.5	0	0	0	0	0	113	C87 E254 S302 C303 G304	C87-G89 VanDerWaalsContact C-N 3.34Å; G89-E254 WeakPolarHBondContact CA-OE2 3.47Å; G89-S302 WeakPolarHBondContact CA-OG 3.39Å; G89-S302 PolarHBondContact N-OG 2.85Å; G89-S302 VanDerWaalsContact N-OG 3.08Å; G89-C303 CarbonylContact O-C 3.6Å; G89-C303 VanDerWaalsContact O-CA 3.26Å; G89-C303 WeakPolarHBondContact O-CA 3.35Å; G89-G304 PolarHBondContact N-O 3.15Å; G89-G304 PolarHBondContact O-N 3.11Å
90	Q	91.4	Very high	89.8	Confident	77 Å²	77	44.9 Å²	44.9	36%	0.36	21%	0.212	S	C	.	.	S	Bend	trans	-140.8	-6	-170.2	-60.5	-175.9	3.6	0	0	114.6	C84 I92 C93 E254 S302	C84-Q90 PolarHBondContact SG-NE2 3.38Å; Q90-I92 PolarHBondContact O-N 3Å; Q90-I92 VanDerWaalsContact O-N 3.08Å; Q90-C93 WeakPolarHBondContact O-CB 3.48Å; Q90-C93 PolarHBondContact O-N 3.02Å; Q90-E254 PolarHBondContact N-OE2 3.02Å; Q90-S302 CarbonylContact C-O 3.57Å; Q90-S302 WeakPolarHBondContact CA-O 3.33Å; Q90-S302 PolarHBondContact N-O 3.2Å
91	S	92.2	Very high	89.8	Confident	51 Å²	51	43.9 Å²	43.9	36%	0.357	21%	0.208	S	C	.	.	T	Hydrogen-bonded Turn	trans	-55.1	-31.7	-171.7	63	0	0	0	0	114.8	E254 G301 S302	S91-E254 WeakPolarHBondContact CB-OE1 3.17Å; S91-E254 VanDerWaalsContact CB-OE2 3.28Å; S91-E254 WeakPolarHBondContact CB-OE2 3.3Å; S91-E254 PolarHBondContact N-OE2 2.81Å; S91-E254 VanDerWaalsContact OG-CD 3.28Å; S91-E254 PolarHBondContact OG-OE1 2.99Å; S91-E254 PolarHBondContact OG-OE2 3.08Å; S91-G301 WeakPolarHBondContact OG-CA 3.23Å; S91-S302 PolarHBondContact N-O 2.99Å; S91-S302 VanDerWaalsContact N-O 3.16Å; S91-S302 PolarHBondContact OG-N 2.98Å; S91-S302 VanDerWaalsContact OG-N 3.15Å
92	I	91.8	Very high	89.6	Confident	7 Å²	7	47.5 Å²	47.5	4%	0.036	22%	0.218	C	C	.	.	T	Hydrogen-bonded Turn	trans	-112.7	6.3	-172.9	-134.6	167.9	0	0	0	113	Q90 P94 Y95 F96 M129 L300 S302 C303 V308	Q90-I92 PolarHBondContact O-N 3Å; Q90-I92 VanDerWaalsContact O-N 3.08Å; I92-P94 VanDerWaalsContact C-N 3.28Å; I92-Y95 HydrophobicContact CB-CD2 4.42Å; I92-Y95 HydrophobicContact CD1-CD2 4.44Å; I92-Y95 HydrophobicContact CG1-CD2 3.39Å; I92-Y95 HydrophobicContact CG1-CE2 3.95Å; I92-Y95 HydrophobicContact CG1-CG 4.07Å; I92-Y95 WeakPolarHBondContact O-CB 3.27Å; I92-Y95 PolarHBondContact O-N 2.67Å; I92-F96 HydrophobicContact CG2-CD2 3.97Å; I92-F96 HydrophobicContact CG2-CE2 3.72Å; I92-M129 HydrophobicContact CD1-CE 3.34Å; I92-M129 HydrophobicContact CD1-SD 3.83Å; I92-M129 HydrophobicContact CG1-CE 3.77Å; I92-L300 HydrophobicContact CD1-CB 4.32Å; I92-L300 WeakPolarHBondContact CD1-O 3.45Å; I92-S302 PolarHBondContact N-O 3.28Å; I92-C303 HydrophobicContact CG2-CB 4.44Å; I92-V308 HydrophobicContact CD1-CB 4.36Å; I92-V308 HydrophobicContact CG2-CG2 3.76Å
93	C	92.5	Very high	89.2	Confident	9 Å²	9	38.7 Å²	38.7	6%	0.061	18%	0.18	C	C	.	.	H	α-helix	trans	-50.6	-38.4	176.8	-74.6	0	0	0	0	114.6	Q90 Y95 F96 Y97 C303	Q90-C93 WeakPolarHBondContact O-CB 3.48Å; Q90-C93 PolarHBondContact O-N 3.02Å; C93-Y95 PolarHBondContact O-N 3.16Å; C93-F96 PolarHBondContact O-N 3.35Å; C93-F96 VanDerWaalsContact O-N 3.1Å; C93-Y97 HydrophobicContact CB-CD2 4.14Å; C93-Y97 HydrophobicContact CB-CE2 3.64Å; C93-Y97 WeakPolarHBondContact O-CD2 3.03Å; C93-Y97 PolarHBondContact O-N 2.72Å; C93-C303 WeakPolarHBondContact CA-SG 3.15Å; C93-C303 HydrophobicContact CB-CB 3.92Å; C93-C303 WeakPolarHBondContact CB-SG 3.49Å; C93-C303 WeakPolarHBondContact SG-CA 3.19Å; C93-C303 WeakPolarHBondContact SG-CB 3.47Å; C93-C303 CovalentContact SG-SG 2.04Å; C93-C303 PolarHBondContact SG-SG 2.72Å
94	P	92.3	Very high	88.6	Confident	58 Å²	58	37.3 Å²	37.3	38%	0.377	18%	0.176	S	C	.	.	H	α-helix	trans	-54.9	-35.6	175.4	-28.4	36.8	0	0	0	114.3	I92 Y97 R98	I92-P94 VanDerWaalsContact C-N 3.28Å; P94-Y97 PolarHBondContact O-N 3.01Å; P94-R98 WeakPolarHBondContact O-CB 3.28Å; P94-R98 VanDerWaalsContact O-CG 3.24Å; P94-R98 WeakPolarHBondContact O-CG 3.44Å; P94-R98 PolarHBondContact O-N 3.25Å
95	Y	90.3	Very high	87.2	Confident	90 Å²	90	38.8 Å²	38.8	35%	0.353	19%	0.186	S	C	.	.	H	α-helix	trans	-69.7	-37.6	178.4	-70.9	-92.4	0	0	0	112.2	I92 C93 G99 E100 M129	I92-Y95 HydrophobicContact CB-CD2 4.42Å; I92-Y95 HydrophobicContact CD1-CD2 4.44Å; I92-Y95 HydrophobicContact CG1-CD2 3.39Å; I92-Y95 HydrophobicContact CG1-CE2 3.95Å; I92-Y95 HydrophobicContact CG1-CG 4.07Å; I92-Y95 WeakPolarHBondContact O-CB 3.27Å; I92-Y95 PolarHBondContact O-N 2.67Å; C93-Y95 PolarHBondContact O-N 3.16Å; Y95-G99 PolarHBondContact O-N 3.17Å; Y95-E100 HydrophobicContact CD1-CB 4.18Å; Y95-E100 WeakPolarHBondContact CD1-OE2 3.34Å; Y95-E100 WeakPolarHBondContact CE1-OE2 3.33Å; Y95-E100 PolarHBondContact O-N 3.36Å; Y95-M129 HydrophobicContact CD1-CE 3.34Å; Y95-M129 HydrophobicContact CD1-CG 4.41Å; Y95-M129 HydrophobicContact CD2-CE 3.74Å; Y95-M129 HydrophobicContact CE1-CE 3.46Å; Y95-M129 VanDerWaalsContact CE1-CE 3.46Å; Y95-M129 HydrophobicContact CE2-CE 3.82Å; Y95-M129 HydrophobicContact CG-CE 3.49Å; Y95-M129 VanDerWaalsContact CG-CE 3.49Å
96	F	90	Very high	85.9	Confident	14 Å²	14	42.9 Å²	42.9	6%	0.061	22%	0.215	C	C	.	.	H	α-helix	trans	-65.8	-47	173.1	-79.5	-79.6	0	0	0	111.4	L74 L79 I92 C93 R98 G99 I101 L140 C303 W306 V308	L74-F96 HydrophobicContact CD2-CD1 4.24Å; L74-F96 HydrophobicContact CD2-CE1 3.97Å; L79-F96 HydrophobicContact CD1-CB 3.73Å; L79-F96 HydrophobicContact CD1-CD1 4.1Å; L79-F96 HydrophobicContact CD1-CG 3.9Å; L79-F96 HydrophobicContact CD2-CD1 3.71Å; L79-F96 HydrophobicContact CD2-CD2 4.24Å; L79-F96 HydrophobicContact CD2-CE1 3.71Å; L79-F96 HydrophobicContact CD2-CE2 4.24Å; L79-F96 HydrophobicContact CD2-CG 3.97Å; L79-F96 HydrophobicContact CD2-CZ 3.98Å; L79-F96 HydrophobicContact CG-CD1 4.43Å; I92-F96 HydrophobicContact CG2-CD2 3.97Å; I92-F96 HydrophobicContact CG2-CE2 3.72Å; C93-F96 PolarHBondContact O-N 3.35Å; C93-F96 VanDerWaalsContact O-N 3.1Å; F96-R98 VanDerWaalsContact C-N 3.28Å; F96-R98 PolarHBondContact O-N 2.81Å; F96-G99 PolarHBondContact O-N 3.45Å; F96-I101 HydrophobicContact CD1-CB 4.13Å; F96-I101 HydrophobicContact CD1-CD1 4.01Å; F96-I101 HydrophobicContact CD1-CG2 4.28Å; F96-I101 HydrophobicContact CD2-CD1 3.58Å; F96-I101 HydrophobicContact CE1-CB 4.09Å; F96-I101 HydrophobicContact CE1-CD1 3.85Å; F96-I101 HydrophobicContact CE1-CG2 3.75Å; F96-I101 HydrophobicContact CE2-CD1 3.4Å; F96-I101 VanDerWaalsContact CE2-CD1 3.4Å; F96-I101 HydrophobicContact CG-CD1 3.89Å; F96-I101 HydrophobicContact CZ-CD1 3.56Å; F96-I101 HydrophobicContact CZ-CG2 4.2Å; F96-L140 HydrophobicContact CZ-CD2 4.12Å; F96-C303 HydrophobicContact CD2-CB 3.47Å; F96-C303 VanDerWaalsContact CD2-CB 3.47Å; F96-C303 HydrophobicContact CE2-CB 3.72Å; F96-C303 HydrophobicContact CG-CB 4.4Å; F96-W306 HydrophobicContact CZ-CB 4.47Å; F96-V308 HydrophobicContact CE2-CG2 3.8Å; F96-V308 HydrophobicContact CZ-CG2 3.93Å
97	Y	90.1	Very high	84.5	Confident	115 Å²	115	44.4 Å²	44.4	45%	0.451	22%	0.221	S	C	.	.	H	α-helix	trans	-64.3	-31.2	-179	-64.5	-46.1	0	0	0	113.4	I76 C93 P94 G99	I76-Y97 HydrophobicContact CB-CE1 4.45Å; I76-Y97 HydrophobicContact CD1-CD1 3.64Å; I76-Y97 HydrophobicContact CD1-CE1 4.16Å; I76-Y97 HydrophobicContact CG1-CD1 3.8Å; I76-Y97 HydrophobicContact CG1-CE1 4.07Å; I76-Y97 HydrophobicContact CG2-CD1 4.2Å; I76-Y97 HydrophobicContact CG2-CE1 3.59Å; C93-Y97 HydrophobicContact CB-CD2 4.14Å; C93-Y97 HydrophobicContact CB-CE2 3.64Å; C93-Y97 WeakPolarHBondContact O-CD2 3.03Å; C93-Y97 PolarHBondContact O-N 2.72Å; P94-Y97 PolarHBondContact O-N 3.01Å; Y97-G99 VanDerWaalsContact C-N 3.29Å
98	R	89.5	Confident	82.4	Confident	170 Å²	170	44.8 Å²	44.8	64%	0.642	22%	0.224	S	C	*	.	T	Hydrogen-bonded Turn	trans	-80.9	-5.4	174.6	-68.8	173.6	-168.3	162.5	3.2	113.8	P94 F96 E100	P94-R98 WeakPolarHBondContact O-CB 3.28Å; P94-R98 VanDerWaalsContact O-CG 3.24Å; P94-R98 WeakPolarHBondContact O-CG 3.44Å; P94-R98 PolarHBondContact O-N 3.25Å; F96-R98 VanDerWaalsContact C-N 3.28Å; F96-R98 PolarHBondContact O-N 2.81Å; R98-E100 VanDerWaalsContact C-N 3.28Å; R98-E100 HydrophobicContact CB-CG 3.81Å; R98-E100 WeakPolarHBondContact CD-OE1 3.36Å; R98-E100 IonicContact NH1-OE1 3.19Å; R98-E100 PolarHBondContact O-N 2.84Å
99	G	86	Confident	80.1	Confident	18 Å²	18	49.2 Å²	49.2	19%	0.186	25%	0.247	C	C	.	.	T	Hydrogen-bonded Turn	trans	69.4	25.7	-177.3	0	0	0	0	0	113.8	Y95 F96 Y97 I101 R102	Y95-G99 PolarHBondContact O-N 3.17Å; F96-G99 PolarHBondContact O-N 3.45Å; Y97-G99 VanDerWaalsContact C-N 3.29Å; G99-I101 VanDerWaalsContact C-N 3.3Å; G99-R102 PolarHBondContact O-NE 3.46Å; G99-R102 VanDerWaalsContact O-NE 3.09Å
100	E	89.5	Confident	78.2	Confident	20 Å²	20	53 Å²	53	9%	0.093	27%	0.267	C	S	.	.			trans	-81.5	-12.5	177.8	-60.1	-175.2	-153.1	0	0	112.2	Y95 R98 M129 G130 L131	Y95-E100 HydrophobicContact CD1-CB 4.18Å; Y95-E100 WeakPolarHBondContact CD1-OE2 3.34Å; Y95-E100 WeakPolarHBondContact CE1-OE2 3.33Å; Y95-E100 PolarHBondContact O-N 3.36Å; R98-E100 VanDerWaalsContact C-N 3.28Å; R98-E100 HydrophobicContact CB-CG 3.81Å; R98-E100 WeakPolarHBondContact CD-OE1 3.36Å; R98-E100 IonicContact NH1-OE1 3.19Å; R98-E100 PolarHBondContact O-N 2.84Å; E100-M129 CarbonylContact O-C 3.59Å; E100-M129 VanDerWaalsContact O-CA 3.29Å; E100-M129 WeakPolarHBondContact O-CA 3.47Å; E100-G130 PolarHBondContact O-N 3.25Å; E100-L131 HydrophobicContact CG-CD1 4.09Å; E100-L131 HydrophobicContact CG-CD2 4.02Å; E100-L131 HydrophobicContact CG-CG 3.81Å
101	I	89.4	Confident	76.2	Confident	4 Å²	4	50.3 Å²	50.3	2%	0.021	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.8	121.6	173.9	-65.4	171.4	0	0	0	109.3	F96 G99 T128 M129 L140 V308	F96-I101 HydrophobicContact CD1-CB 4.13Å; F96-I101 HydrophobicContact CD1-CD1 4.01Å; F96-I101 HydrophobicContact CD1-CG2 4.28Å; F96-I101 HydrophobicContact CD2-CD1 3.58Å; F96-I101 HydrophobicContact CE1-CB 4.09Å; F96-I101 HydrophobicContact CE1-CD1 3.85Å; F96-I101 HydrophobicContact CE1-CG2 3.75Å; F96-I101 HydrophobicContact CE2-CD1 3.4Å; F96-I101 VanDerWaalsContact CE2-CD1 3.4Å; F96-I101 HydrophobicContact CG-CD1 3.89Å; F96-I101 HydrophobicContact CZ-CD1 3.56Å; F96-I101 HydrophobicContact CZ-CG2 4.2Å; G99-I101 VanDerWaalsContact C-N 3.3Å; I101-T128 CarbonylContact C-O 3.55Å; I101-T128 VanDerWaalsContact CA-O 3.28Å; I101-T128 WeakPolarHBondContact CA-O 3.38Å; I101-M129 HydrophobicContact CD1-CG 4.48Å; I101-M129 HydrophobicContact CG1-CB 4.2Å; I101-M129 HydrophobicContact CG1-CG 3.93Å; I101-L140 HydrophobicContact CG2-CD1 3.69Å; I101-L140 HydrophobicContact CG2-CD2 3.92Å; I101-L140 HydrophobicContact CG2-CG 4.36Å; I101-V308 HydrophobicContact CD1-CG2 4.14Å
102	R	84.8	Confident	73.9	Confident	108 Å²	108	55.1 Å²	55.1	41%	0.408	27%	0.271	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.4	135.2	-176.5	-44.4	-178.8	176.3	171.6	-3.9	112	N71 G99 A127 T128	N71-R102 HydrophobicContact CB-CB 3.78Å; G99-R102 PolarHBondContact O-NE 3.46Å; G99-R102 VanDerWaalsContact O-NE 3.09Å; R102-A127 CarbonylContact O-C 3.59Å; R102-A127 VanDerWaalsContact O-CA 3.29Å; R102-A127 WeakPolarHBondContact O-CA 3.42Å; R102-A127 VanDerWaalsContact O-CB 3.31Å; R102-A127 WeakPolarHBondContact O-CB 3.4Å; R102-T128 PolarHBondContact N-O 3.15Å; R102-T128 PolarHBondContact O-N 3.15Å; R102-T128 PolarHBondContact O-OG1 2.81Å
103	F	80	Confident	71.6	Confident	1 Å²	1	59.4 Å²	59.4	0%	0.004	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-64.4	147	174.4	-69.5	-72.7	0	0	0	111.2	N71 M72 L74 F111 Y125 L140 W306	N71-F103 PolarHBondContact OD1-O 3.47Å; M72-F103 PolarHBondContact O-N 2.82Å; L74-F103 HydrophobicContact CB-CE2 4.01Å; L74-F103 HydrophobicContact CD1-CE2 3.59Å; L74-F103 HydrophobicContact CD1-CZ 3.78Å; L74-F103 HydrophobicContact CG-CE2 4.41Å; F103-F111 AromaticContact CD1-CE2 3.67Å; F103-F111 HydrophobicContact CD1-CE2 3.67Å; F103-F111 HydrophobicContact CD1-CZ 4.02Å; F103-F111 HydrophobicContact CD2-CD2 4.26Å; F103-F111 AromaticContact CD2-CE2 3.98Å; F103-F111 HydrophobicContact CD2-CE2 3.98Å; F103-F111 HydrophobicContact CD2-CZ 4.31Å; F103-F111 HydrophobicContact CE1-CE1 4.44Å; F103-F111 AromaticContact CE1-CE2 3.61Å; F103-F111 HydrophobicContact CE1-CE2 3.61Å; F103-F111 AromaticContact CE1-CZ 3.44Å; F103-F111 HydrophobicContact CE1-CZ 3.44Å; F103-F111 VanDerWaalsContact CE1-CZ 3.44Å; F103-F111 HydrophobicContact CE2-CD2 4.4Å; F103-F111 HydrophobicContact CE2-CE1 4.12Å; F103-F111 AromaticContact CE2-CE2 3.92Å; F103-F111 HydrophobicContact CE2-CE2 3.92Å; F103-F111 AromaticContact CE2-CZ 3.77Å; F103-F111 HydrophobicContact CE2-CZ 3.77Å; F103-F111 HydrophobicContact CG-CD2 4.36Å; F103-F111 AromaticContact CG-CE2 3.86Å; F103-F111 HydrophobicContact CG-CE2 3.86Å; F103-F111 HydrophobicContact CG-CZ 4.42Å; F103-F111 AromaticContact CZ-CE1 3.89Å; F103-F111 HydrophobicContact CZ-CE1 3.89Å; F103-F111 AromaticContact CZ-CE2 3.75Å; F103-F111 HydrophobicContact CZ-CE2 3.75Å; F103-F111 AromaticContact CZ-CZ 3.3Å; F103-F111 HydrophobicContact CZ-CZ 3.3Å; F103-Y125 HydrophobicContact CE1-CD2 4.26Å; F103-Y125 HydrophobicContact CE1-CG 4.21Å; F103-L140 HydrophobicContact CD1-CD1 4.16Å; F103-L140 HydrophobicContact CE1-CB 4.49Å; F103-L140 HydrophobicContact CE1-CD1 3.61Å; F103-L140 HydrophobicContact CZ-CD1 3.9Å; F103-W306 HydrophobicContact CZ-CH2 4.01Å; F103-W306 HydrophobicContact CZ-CZ3 4.14Å
104	T	76	Confident	69.3	Low	21 Å²	21	62.1 Å²	62.1	13%	0.129	32%	0.317	C	S	.	.			trans	-73.6	144.4	172.6	54.7	0	0	0	0	111.2	S106 Q107 K126 T128	T104-S106 PolarHBondContact O-N 3.36Å; T104-Q107 PolarHBondContact O-N 2.82Å; T104-K126 HydrophobicContact CG2-CD 4.24Å; T104-K126 HydrophobicContact CG2-CG 3.92Å; T104-K126 PolarHBondContact N-O 3.39Å; T104-K126 PolarHBondContact OG1-O 2.85Å; T104-T128 HydrophobicContact CG2-CG2 4.28Å
105	S	56.7	Low	66.9	Low	48 Å²	48	69.2 Å²	69.2	34%	0.336	34%	0.342	S	S	.	.	G	3₁₀ helix	trans	-44.3	-35.7	-172.6	127.9	0	0	0	0	115.9	F69 Q107 T108	F69-S105 WeakPolarHBondContact CB-OG 3.43Å; F69-S105 WeakPolarHBondContact CD1-O 3.42Å; S105-Q107 PolarHBondContact O-N 2.9Å; S105-T108 PolarHBondContact O-OG1 2.8Å; S105-T108 VanDerWaalsContact O-OG1 3.05Å
106	S	58.1	Low	64.6	Low	87 Å²	87	72.1 Å²	72.1	61%	0.608	36%	0.364	S	S	*	.	G	3₁₀ helix	trans	-70.5	-18	-178.8	57.6	0	0	0	0	113.8	T104	T104-S106 PolarHBondContact O-N 3.36Å
107	Q	56.9	Low	62.5	Low	35 Å²	35	73.8 Å²	73.8	16%	0.164	39%	0.385	C	S	.	.	G	3₁₀ helix	trans	-100.7	-12.5	-172.8	-58.9	-177.3	-14.7	0	0	112.4	T104 S105 N109 I110 F111 Y125 K126	T104-Q107 PolarHBondContact O-N 2.82Å; S105-Q107 PolarHBondContact O-N 2.9Å; Q107-N109 VanDerWaalsContact C-N 3.27Å; Q107-N109 PolarHBondContact O-N 2.64Å; Q107-I110 WeakPolarHBondContact O-CB 3.27Å; Q107-I110 PolarHBondContact O-N 2.72Å; Q107-I110 VanDerWaalsContact O-N 3.1Å; Q107-F111 WeakPolarHBondContact O-CD2 3.44Å; Q107-Y125 HydrophobicContact CB-CD1 4.43Å; Q107-Y125 HydrophobicContact CG-CD1 4.31Å; Q107-Y125 VanDerWaalsContact OE1-CB 3.29Å; Q107-Y125 VanDerWaalsContact OE1-CD1 3.31Å; Q107-K126 PolarHBondContact OE1-O 3.07Å; Q107-K126 VanDerWaalsContact OE1-O 3.1Å
108	T	49.2	Very low	60.6	Low	8 Å²	8	69.1 Å²	69.1	5%	0.049	37%	0.368	C	S	.	.	H	α-helix	trans	-65.1	-30.1	-176.2	60.5	0	0	0	0	112.9	M72 S105 I110 F111 Q112	M72-T108 HydrophobicContact CB-CG2 4.1Å; S105-T108 PolarHBondContact O-OG1 2.8Å; S105-T108 VanDerWaalsContact O-OG1 3.05Å; T108-I110 VanDerWaalsContact C-N 3.25Å; T108-I110 PolarHBondContact O-N 3.37Å; T108-F111 PolarHBondContact O-N 3.35Å; T108-Q112 PolarHBondContact O-N 3.45Å
109	N	43.7	Very low	58.8	Low	93 Å²	93	65.5 Å²	65.5	50%	0.497	37%	0.369	S	S	.	.	H	α-helix	trans	-66.3	-28.7	176.4	-70.9	-4.4	0	0	0	112.5	F69 Q107	F69-N109 WeakPolarHBondContact CE1-ND2 3.45Å; Q107-N109 VanDerWaalsContact C-N 3.27Å; Q107-N109 PolarHBondContact O-N 2.64Å
110	I	51.8	Low	57.8	Low	80 Å²	80	65.3 Å²	65.3	41%	0.41	36%	0.363	S	S	.	.	H	α-helix	trans	-72.9	-40.4	-178.8	-56.2	173.2	0	0	0	109.5	Q107 T108 Q112 S113 L118	Q107-I110 WeakPolarHBondContact O-CB 3.27Å; Q107-I110 PolarHBondContact O-N 2.72Å; Q107-I110 VanDerWaalsContact O-N 3.1Å; T108-I110 VanDerWaalsContact C-N 3.25Å; T108-I110 PolarHBondContact O-N 3.37Å; I110-Q112 PolarHBondContact O-N 3.09Å; I110-S113 PolarHBondContact O-N 3.37Å; I110-L118 HydrophobicContact CG2-CD1 3.84Å; I110-L118 HydrophobicContact CG2-CG 4.35Å; I110-L118 VanDerWaalsContact O-CD1 3.24Å; I110-L118 WeakPolarHBondContact O-CD1 3.39Å
111	F	50.3	Low	57.1	Low	19 Å²	19	66.4 Å²	66.4	8%	0.083	37%	0.372	C	S	.	.	H	α-helix	trans	-72	-27	-177.5	-76	-78.2	0	0	0	114.9	M72 M78 F103 Q107 T108 S113 L118 F120 Y125	M72-F111 HydrophobicContact CE-CB 4.08Å; M72-F111 HydrophobicContact SD-CB 3.91Å; M78-F111 HydrophobicContact CE-CD1 4.09Å; M78-F111 HydrophobicContact CE-CE1 4.21Å; F103-F111 AromaticContact CD1-CE2 3.67Å; F103-F111 HydrophobicContact CD1-CE2 3.67Å; F103-F111 HydrophobicContact CD1-CZ 4.02Å; F103-F111 HydrophobicContact CD2-CD2 4.26Å; F103-F111 AromaticContact CD2-CE2 3.98Å; F103-F111 HydrophobicContact CD2-CE2 3.98Å; F103-F111 HydrophobicContact CD2-CZ 4.31Å; F103-F111 HydrophobicContact CE1-CE1 4.44Å; F103-F111 AromaticContact CE1-CE2 3.61Å; F103-F111 HydrophobicContact CE1-CE2 3.61Å; F103-F111 AromaticContact CE1-CZ 3.44Å; F103-F111 HydrophobicContact CE1-CZ 3.44Å; F103-F111 VanDerWaalsContact CE1-CZ 3.44Å; F103-F111 HydrophobicContact CE2-CD2 4.4Å; F103-F111 HydrophobicContact CE2-CE1 4.12Å; F103-F111 AromaticContact CE2-CE2 3.92Å; F103-F111 HydrophobicContact CE2-CE2 3.92Å; F103-F111 AromaticContact CE2-CZ 3.77Å; F103-F111 HydrophobicContact CE2-CZ 3.77Å; F103-F111 HydrophobicContact CG-CD2 4.36Å; F103-F111 AromaticContact CG-CE2 3.86Å; F103-F111 HydrophobicContact CG-CE2 3.86Å; F103-F111 HydrophobicContact CG-CZ 4.42Å; F103-F111 AromaticContact CZ-CE1 3.89Å; F103-F111 HydrophobicContact CZ-CE1 3.89Å; F103-F111 AromaticContact CZ-CE2 3.75Å; F103-F111 HydrophobicContact CZ-CE2 3.75Å; F103-F111 AromaticContact CZ-CZ 3.3Å; F103-F111 HydrophobicContact CZ-CZ 3.3Å; Q107-F111 WeakPolarHBondContact O-CD2 3.44Å; T108-F111 PolarHBondContact O-N 3.35Å; F111-S113 VanDerWaalsContact C-N 3.35Å; F111-L118 HydrophobicContact CD1-CD1 4.47Å; F111-L118 HydrophobicContact CD1-CD2 3.6Å; F111-L118 HydrophobicContact CE1-CD2 3.28Å; F111-L118 HydrophobicContact CG-CD2 4.4Å; F111-L118 HydrophobicContact CZ-CD2 3.86Å; F111-F120 HydrophobicContact CE1-CE1 4.14Å; F111-Y125 HydrophobicContact CE1-CE2 4.25Å; F111-Y125 HydrophobicContact CE2-CD1 4.45Å; F111-Y125 HydrophobicContact CE2-CD2 4.15Å; F111-Y125 HydrophobicContact CE2-CE1 4.46Å; F111-Y125 HydrophobicContact CE2-CE2 4.12Å; F111-Y125 HydrophobicContact CE2-CG 4.29Å; F111-Y125 AromaticContact CZ-CD2 3.56Å; F111-Y125 HydrophobicContact CZ-CD2 3.56Å; F111-Y125 AromaticContact CZ-CE2 3.49Å; F111-Y125 HydrophobicContact CZ-CE2 3.49Å; F111-Y125 VanDerWaalsContact CZ-CE2 3.49Å; F111-Y125 HydrophobicContact CZ-CG 4.14Å
112	Q	43.4	Very low	56.5	Low	153 Å²	153	67.4 Å²	67.4	72%	0.715	38%	0.378	S	S	*	.	H	α-helix	trans	-77.8	-19.6	178.8	-75.8	-178.7	-21.7	0	0	113.3	T108 I110	T108-Q112 PolarHBondContact O-N 3.45Å; I110-Q112 PolarHBondContact O-N 3.09Å
113	S	43	Very low	56.2	Low	97 Å²	97	63.3 Å²	63.3	68%	0.678	37%	0.365	S	S	*	.	H	α-helix	trans	-93.8	-16.2	-166.3	-167.9	0	0	0	0	115.8	I110 F111	I110-S113 PolarHBondContact O-N 3.37Å; F111-S113 VanDerWaalsContact C-N 3.35Å
114	T	43.5	Very low	56.5	Low	65 Å²	65	63.7 Å²	63.7	40%	0.399	37%	0.369	S	S	.	.			trans	-140	96.5	-175	56.7	0	0	0	0	112.5	D116 L118	T114-D116 PolarHBondContact O-N 3.42Å; T114-L118 VanDerWaalsContact OG1-CD1 3.27Å; T114-L118 WeakPolarHBondContact OG1-CD1 3.29Å
115	K	42.3	Very low	57	Low	208 Å²	208	63.2 Å²	63.2	90%	0.904	37%	0.365	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.8	-14.8	174.9	-90.6	-177.9	173.9	178.8	0	114.2
116	D	42.5	Very low	58.5	Low	151 Å²	151	63.8 Å²	63.8	81%	0.807	36%	0.361	S	S	*	.	T	Hydrogen-bonded Turn	trans	-126.3	6.8	-168.8	-63.8	-40.6	0	0	0	116.2	T114	T114-D116 PolarHBondContact O-N 3.42Å
117	G	45.6	Very low	60	Low	49 Å²	49	59.7 Å²	59.7	51%	0.505	33%	0.332	S	S	.	.			trans	-179	40.9	-170.9	0	0	0	0	0	117.5	S119	G117-S119 PolarHBondContact O-N 3.34Å
118	L	49.7	Very low	61.7	Low	17 Å²	17	59 Å²	59	9%	0.089	33%	0.331	C	S	.	.			trans	-56.2	116	171.1	-145.2	86.9	0	0	0	108.7	I110 F111 T114 F120 Y125	I110-L118 HydrophobicContact CG2-CD1 3.84Å; I110-L118 HydrophobicContact CG2-CG 4.35Å; I110-L118 VanDerWaalsContact O-CD1 3.24Å; I110-L118 WeakPolarHBondContact O-CD1 3.39Å; F111-L118 HydrophobicContact CD1-CD1 4.47Å; F111-L118 HydrophobicContact CD1-CD2 3.6Å; F111-L118 HydrophobicContact CE1-CD2 3.28Å; F111-L118 HydrophobicContact CG-CD2 4.4Å; F111-L118 HydrophobicContact CZ-CD2 3.86Å; T114-L118 VanDerWaalsContact OG1-CD1 3.27Å; T114-L118 WeakPolarHBondContact OG1-CD1 3.29Å; L118-F120 HydrophobicContact CB-CD2 4.21Å; L118-F120 HydrophobicContact CB-CE2 3.6Å; L118-F120 HydrophobicContact CB-CZ 3.87Å; L118-F120 HydrophobicContact CD2-CD1 4.14Å; L118-F120 HydrophobicContact CD2-CE1 3.56Å; L118-F120 HydrophobicContact CD2-CE2 4.03Å; L118-F120 HydrophobicContact CD2-CZ 3.54Å; L118-F120 HydrophobicContact CG-CE2 4.4Å; L118-F120 HydrophobicContact CG-CZ 4.34Å; L118-F120 WeakPolarHBondContact O-CD2 3.39Å; L118-F120 VanDerWaalsContact O-CE2 3.24Å; L118-F120 WeakPolarHBondContact O-CE2 3.48Å; L118-F120 PolarHBondContact O-N 2.79Å; L118-Y125 HydrophobicContact CD2-CE2 3.86Å; L118-Y125 WeakPolarHBondContact CD2-OH 3.48Å
119	S	53.4	Low	63.7	Low	94 Å²	94	58.9 Å²	58.9	66%	0.657	33%	0.33	S	S	*	.			trans	-71.2	112.2	163.2	67	0	0	0	0	106.1	G117 Y125	G117-S119 PolarHBondContact O-N 3.34Å; S119-Y125 PolarHBondContact O-OH 3.16Å
120	F	64.8	Low	65.9	Low	13 Å²	13	55 Å²	55	6%	0.057	31%	0.311	C	S	.	.			trans	-78.2	130.6	175.5	-69.3	-97.2	0	0	0	106.5	F111 L118 V122 Y125 R142 S145 P146 W306	F111-F120 HydrophobicContact CE1-CE1 4.14Å; L118-F120 HydrophobicContact CB-CD2 4.21Å; L118-F120 HydrophobicContact CB-CE2 3.6Å; L118-F120 HydrophobicContact CB-CZ 3.87Å; L118-F120 HydrophobicContact CD2-CD1 4.14Å; L118-F120 HydrophobicContact CD2-CE1 3.56Å; L118-F120 HydrophobicContact CD2-CE2 4.03Å; L118-F120 HydrophobicContact CD2-CZ 3.54Å; L118-F120 HydrophobicContact CG-CE2 4.4Å; L118-F120 HydrophobicContact CG-CZ 4.34Å; L118-F120 WeakPolarHBondContact O-CD2 3.39Å; L118-F120 VanDerWaalsContact O-CE2 3.24Å; L118-F120 WeakPolarHBondContact O-CE2 3.48Å; L118-F120 PolarHBondContact O-N 2.79Å; F120-V122 PolarHBondContact O-N 2.68Å; F120-Y125 HydrophobicContact CD1-CD2 4Å; F120-Y125 AromaticContact CD1-CE2 3.51Å; F120-Y125 HydrophobicContact CD1-CE2 3.51Å; F120-Y125 HydrophobicContact CE1-CD2 4.48Å; F120-Y125 AromaticContact CE1-CE2 3.97Å; F120-Y125 HydrophobicContact CE1-CE2 3.97Å; F120-Y125 HydrophobicContact CG-CE2 4.3Å; F120-R142 HydrophobicContact CD1-CB 4.18Å; F120-R142 HydrophobicContact CG-CB 4.28Å; F120-S145 WeakPolarHBondContact CB-OG 3.44Å; F120-S145 PolarHBondContact O-OG 3.08Å; F120-P146 WeakPolarHBondContact O-CB 3.26Å; F120-W306 AromaticContact CD1-CH2 4Å; F120-W306 HydrophobicContact CD1-CH2 4Å; F120-W306 HydrophobicContact CD1-CZ2 4.49Å; F120-W306 AromaticContact CE1-CH2 3.41Å; F120-W306 HydrophobicContact CE1-CH2 3.41Å; F120-W306 VanDerWaalsContact CE1-CH2 3.41Å; F120-W306 AromaticContact CE1-CZ2 3.69Å; F120-W306 HydrophobicContact CE1-CZ2 3.69Å; F120-W306 HydrophobicContact CE1-CZ3 4.35Å; F120-W306 HydrophobicContact CZ-CH2 4.36Å; F120-W306 HydrophobicContact CZ-CZ2 4.23Å
121	P	73.3	Confident	67.5	Low	44 Å²	44	54.7 Å²	54.7	29%	0.286	31%	0.31	S	S	.	.			trans	-59.8	143.1	174.8	26.4	-33.6	0	0	0	108.2	V123 G124 Y125 S145	P121-V123 HydrophobicContact CB-CG2 4.19Å; P121-V123 PolarHBondContact O-N 3.18Å; P121-G124 WeakPolarHBondContact CG-O 3.25Å; P121-G124 PolarHBondContact O-N 3.12Å; P121-Y125 VanDerWaalsContact CD-CE2 3.43Å; P121-Y125 WeakPolarHBondContact CD-OH 3.27Å; P121-Y125 HydrophobicContact CG-CD1 3.95Å; P121-Y125 HydrophobicContact CG-CD2 4.32Å; P121-Y125 HydrophobicContact CG-CE1 3.81Å; P121-Y125 HydrophobicContact CG-CE2 4.21Å; P121-Y125 HydrophobicContact CG-CG 4.21Å; P121-S145 PolarHBondContact O-OG 3.08Å; P121-S145 VanDerWaalsContact O-OG 3.1Å
122	V	76.7	Confident	68.9	Low	24 Å²	24	63.8 Å²	63.8	15%	0.145	35%	0.345	C	S	.	.	T	Hydrogen-bonded Turn	trans	-56.2	-42.8	177.5	179.7	0	0	0	0	109.8	F120 G124 R141 N393 F439	F120-V122 PolarHBondContact O-N 2.68Å; V122-G124 PolarHBondContact O-N 3.42Å; V122-R141 PolarHBondContact O-NH1 3.48Å; V122-N393 HydrophobicContact CG1-CB 4.3Å; V122-N393 WeakPolarHBondContact CG1-ND2 3.18Å; V122-F439 HydrophobicContact CG1-CE1 4.4Å; V122-F439 HydrophobicContact CG2-CE1 4.08Å
123	V	79.9	Confident	70.8	Confident	23 Å²	23	66 Å²	66	14%	0.139	36%	0.355	C	S	.	.	T	Hydrogen-bonded Turn	trans	-71.1	-9.7	178.5	-60.9	0	0	0	0	114.2	P121 L139 P315 L381	P121-V123 HydrophobicContact CB-CG2 4.19Å; P121-V123 PolarHBondContact O-N 3.18Å; V123-L139 WeakPolarHBondContact O-CD1 3.45Å; V123-L139 WeakPolarHBondContact O-CD2 3.42Å; V123-L139 VanDerWaalsContact O-CG 3.26Å; V123-L139 WeakPolarHBondContact O-CG 3.4Å; V123-P315 HydrophobicContact CG2-CG 4.36Å; V123-L381 HydrophobicContact CB-CD2 4.44Å; V123-L381 HydrophobicContact CG1-CD2 4.37Å
124	G	86.5	Confident	72.8	Confident	8 Å²	8	66.1 Å²	66.1	8%	0.082	35%	0.353	C	S	.	.			trans	81.7	178.2	-175.2	0	0	0	0	0	114.3	P121 V122 L140	P121-G124 WeakPolarHBondContact CG-O 3.25Å; P121-G124 PolarHBondContact O-N 3.12Å; V122-G124 PolarHBondContact O-N 3.42Å; G124-L140 CarbonylContact C-O 3.52Å; G124-L140 WeakPolarHBondContact CA-O 3Å
125	Y	85	Confident	75	Confident	12 Å²	12	66.2 Å²	66.2	5%	0.047	35%	0.353	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.5	145.8	-173.9	-77.8	-63	0	0	0	111.9	F103 Q107 F111 L118 S119 F120 P121 A127 L139 L140	F103-Y125 HydrophobicContact CE1-CD2 4.26Å; F103-Y125 HydrophobicContact CE1-CG 4.21Å; Q107-Y125 HydrophobicContact CB-CD1 4.43Å; Q107-Y125 HydrophobicContact CG-CD1 4.31Å; Q107-Y125 VanDerWaalsContact OE1-CB 3.29Å; Q107-Y125 VanDerWaalsContact OE1-CD1 3.31Å; F111-Y125 HydrophobicContact CE1-CE2 4.25Å; F111-Y125 HydrophobicContact CE2-CD1 4.45Å; F111-Y125 HydrophobicContact CE2-CD2 4.15Å; F111-Y125 HydrophobicContact CE2-CE1 4.46Å; F111-Y125 HydrophobicContact CE2-CE2 4.12Å; F111-Y125 HydrophobicContact CE2-CG 4.29Å; F111-Y125 AromaticContact CZ-CD2 3.56Å; F111-Y125 HydrophobicContact CZ-CD2 3.56Å; F111-Y125 AromaticContact CZ-CE2 3.49Å; F111-Y125 HydrophobicContact CZ-CE2 3.49Å; F111-Y125 VanDerWaalsContact CZ-CE2 3.49Å; F111-Y125 HydrophobicContact CZ-CG 4.14Å; L118-Y125 HydrophobicContact CD2-CE2 3.86Å; L118-Y125 WeakPolarHBondContact CD2-OH 3.48Å; S119-Y125 PolarHBondContact O-OH 3.16Å; F120-Y125 HydrophobicContact CD1-CD2 4Å; F120-Y125 AromaticContact CD1-CE2 3.51Å; F120-Y125 HydrophobicContact CD1-CE2 3.51Å; F120-Y125 HydrophobicContact CE1-CD2 4.48Å; F120-Y125 AromaticContact CE1-CE2 3.97Å; F120-Y125 HydrophobicContact CE1-CE2 3.97Å; F120-Y125 HydrophobicContact CG-CE2 4.3Å; P121-Y125 VanDerWaalsContact CD-CE2 3.43Å; P121-Y125 WeakPolarHBondContact CD-OH 3.27Å; P121-Y125 HydrophobicContact CG-CD1 3.95Å; P121-Y125 HydrophobicContact CG-CD2 4.32Å; P121-Y125 HydrophobicContact CG-CE1 3.81Å; P121-Y125 HydrophobicContact CG-CE2 4.21Å; P121-Y125 HydrophobicContact CG-CG 4.21Å; Y125-A127 PolarHBondContact O-N 3Å; Y125-L139 CarbonylContact O-C 2.92Å; Y125-L139 WeakPolarHBondContact O-CA 3.22Å; Y125-L140 PolarHBondContact N-O 3.05Å; Y125-L140 PolarHBondContact O-N 2.91Å
126	K	88.6	Confident	77.4	Confident	60 Å²	60	61.5 Å²	61.5	26%	0.261	33%	0.33	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.6	123.6	179	-175.7	-179.6	-179.2	170.9	0	108.9	T104 Q107 Y311	T104-K126 HydrophobicContact CG2-CD 4.24Å; T104-K126 HydrophobicContact CG2-CG 3.92Å; T104-K126 PolarHBondContact N-O 3.39Å; T104-K126 PolarHBondContact OG1-O 2.85Å; Q107-K126 PolarHBondContact OE1-O 3.07Å; Q107-K126 VanDerWaalsContact OE1-O 3.1Å; K126-Y311 HydrophobicContact CB-CE2 4.44Å; K126-Y311 HydrophobicContact CD-CD2 4.46Å; K126-Y311 HydrophobicContact CD-CE2 3.82Å; K126-Y311 HydrophobicContact CG-CD2 4.12Å; K126-Y311 HydrophobicContact CG-CE2 3.88Å
127	A	89.9	Confident	79.8	Confident	0 Å²	0	58.8 Å²	58.8	0%	0	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.1	-180	179.6	0	0	0	0	0	111.4	R102 Y125 H137 V138 L140	R102-A127 CarbonylContact O-C 3.59Å; R102-A127 VanDerWaalsContact O-CA 3.29Å; R102-A127 WeakPolarHBondContact O-CA 3.42Å; R102-A127 VanDerWaalsContact O-CB 3.31Å; R102-A127 WeakPolarHBondContact O-CB 3.4Å; Y125-A127 PolarHBondContact O-N 3Å; A127-H137 WeakPolarHBondContact O-CA 2.92Å; A127-V138 HydrophobicContact CB-CG2 3.88Å; A127-V138 PolarHBondContact N-O 3.31Å; A127-V138 PolarHBondContact O-N 2.7Å; A127-L140 HydrophobicContact CB-CD1 3.45Å; A127-L140 VanDerWaalsContact CB-CD1 3.45Å; A127-L140 HydrophobicContact CB-CG 3.63Å
128	T	92.1	Very high	82.1	Confident	21 Å²	21	56.4 Å²	56.4	13%	0.129	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.6	144.1	172.2	52.1	0	0	0	0	108.4	I101 R102 T104 T135 R136	I101-T128 CarbonylContact C-O 3.55Å; I101-T128 VanDerWaalsContact CA-O 3.28Å; I101-T128 WeakPolarHBondContact CA-O 3.38Å; R102-T128 PolarHBondContact N-O 3.15Å; R102-T128 PolarHBondContact O-N 3.15Å; R102-T128 PolarHBondContact O-OG1 2.81Å; T104-T128 HydrophobicContact CG2-CG2 4.28Å; T128-T135 HydrophobicContact CG2-CG2 4.15Å; T128-R136 CarbonylContact C-O 3.55Å; T128-R136 VanDerWaalsContact CA-O 3.3Å; T128-R136 WeakPolarHBondContact CA-O 3.45Å
129	M	92.1	Very high	84.1	Confident	6 Å²	6	56 Å²	56	3%	0.03	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131	131.8	177.6	180	-170.2	173.2	0	0	109.4	I92 Y95 E100 I101 T135 R136 V138 V308	I92-M129 HydrophobicContact CD1-CE 3.34Å; I92-M129 HydrophobicContact CD1-SD 3.83Å; I92-M129 HydrophobicContact CG1-CE 3.77Å; Y95-M129 HydrophobicContact CD1-CE 3.34Å; Y95-M129 HydrophobicContact CD1-CG 4.41Å; Y95-M129 HydrophobicContact CD2-CE 3.74Å; Y95-M129 HydrophobicContact CE1-CE 3.46Å; Y95-M129 VanDerWaalsContact CE1-CE 3.46Å; Y95-M129 HydrophobicContact CE2-CE 3.82Å; Y95-M129 HydrophobicContact CG-CE 3.49Å; Y95-M129 VanDerWaalsContact CG-CE 3.49Å; E100-M129 CarbonylContact O-C 3.59Å; E100-M129 VanDerWaalsContact O-CA 3.29Å; E100-M129 WeakPolarHBondContact O-CA 3.47Å; I101-M129 HydrophobicContact CD1-CG 4.48Å; I101-M129 HydrophobicContact CG1-CB 4.2Å; I101-M129 HydrophobicContact CG1-CG 3.93Å; M129-T135 WeakPolarHBondContact O-CA 3.37Å; M129-R136 HydrophobicContact CB-CG 4.5Å; M129-R136 PolarHBondContact N-O 3.36Å; M129-R136 PolarHBondContact O-N 3.03Å; M129-V138 HydrophobicContact CB-CB 4.43Å; M129-V138 HydrophobicContact CB-CG1 3.59Å; M129-V138 HydrophobicContact CB-CG2 3.93Å; M129-V138 HydrophobicContact SD-CG1 4.3Å; M129-V308 HydrophobicContact SD-CG1 4.36Å
130	G	89.6	Confident	85.9	Confident	11 Å²	11	51.6 Å²	51.6	11%	0.113	26%	0.255	C	S	.	.	S	Bend	trans	114.4	-174.9	176.6	0	0	0	0	0	112.6	E100	E100-G130 PolarHBondContact O-N 3.25Å
131	L	84.5	Confident	87.1	Confident	73 Å²	73	51.1 Å²	51.1	38%	0.382	25%	0.252	S	S	.	.	S	Bend	trans	-124.4	133.5	-179.4	-67.5	172.4	0	0	0	110.1	E100 E133 T134	E100-L131 HydrophobicContact CG-CD1 4.09Å; E100-L131 HydrophobicContact CG-CD2 4.02Å; E100-L131 HydrophobicContact CG-CG 3.81Å; L131-E133 PolarHBondContact O-N 3.29Å; L131-E133 VanDerWaalsContact O-N 3.11Å; L131-T134 PolarHBondContact N-OG1 3.29Å; L131-T134 VanDerWaalsContact N-OG1 3.15Å; L131-T134 PolarHBondContact O-N 2.99Å; L131-T134 PolarHBondContact O-OG1 2.88Å
132	Y	81.1	Confident	87.9	Confident	211 Å²	211	49.6 Å²	49.6	83%	0.827	24%	0.241	S	C	*	.	G	3₁₀ helix	trans	50.3	-115.2	174.3	-53.4	-76.8	0	0	0	111.8	T134 T135	Y132-T134 PolarHBondContact O-N 2.94Å; Y132-T135 PolarHBondContact N-OG1 3.18Å; Y132-T135 VanDerWaalsContact O-CB 3.26Å; Y132-T135 WeakPolarHBondContact O-CB 3.47Å; Y132-T135 PolarHBondContact O-N 3.42Å; Y132-T135 VanDerWaalsContact O-N 3.15Å; Y132-T135 PolarHBondContact O-OG1 3Å
133	E	82.8	Confident	88.5	Confident	198 Å²	198	48.7 Å²	48.7	93%	0.925	24%	0.235	S	C	*	.	G	3₁₀ helix	trans	-67.1	-20.4	-176.8	-61.3	178.3	176.3	0	0	113.8	L131 T135	L131-E133 PolarHBondContact O-N 3.29Å; L131-E133 VanDerWaalsContact O-N 3.11Å; E133-T135 VanDerWaalsContact C-N 3.32Å
134	T	85.2	Confident	88.7	Confident	101 Å²	101	47.6 Å²	47.6	62%	0.62	23%	0.228	S	C	*	.	G	3₁₀ helix	trans	-90.4	2.4	177.2	64.3	0	0	0	0	113	L131 Y132 R136	L131-T134 PolarHBondContact N-OG1 3.29Å; L131-T134 VanDerWaalsContact N-OG1 3.15Å; L131-T134 PolarHBondContact O-N 2.99Å; L131-T134 PolarHBondContact O-OG1 2.88Å; Y132-T134 PolarHBondContact O-N 2.94Å; T134-R136 PolarHBondContact O-N 2.86Å
135	T	89.1	Confident	88.6	Confident	66 Å²	66	47.2 Å²	47.2	41%	0.405	23%	0.225	S	C	.	.			trans	-66.7	119.7	-178.3	-52.6	0	0	0	0	110.6	T128 M129 Y132 E133	T128-T135 HydrophobicContact CG2-CG2 4.15Å; M129-T135 WeakPolarHBondContact O-CA 3.37Å; Y132-T135 PolarHBondContact N-OG1 3.18Å; Y132-T135 VanDerWaalsContact O-CB 3.26Å; Y132-T135 WeakPolarHBondContact O-CB 3.47Å; Y132-T135 PolarHBondContact O-N 3.42Å; Y132-T135 VanDerWaalsContact O-N 3.15Å; Y132-T135 PolarHBondContact O-OG1 3Å; E133-T135 VanDerWaalsContact C-N 3.32Å
136	R	92.3	Very high	88.3	Confident	109 Å²	109	48.4 Å²	48.4	41%	0.411	23%	0.234	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.1	155	173.7	62	178.2	178.3	-177.1	-2.6	111.8	T128 M129 T134 V138	T128-R136 CarbonylContact C-O 3.55Å; T128-R136 VanDerWaalsContact CA-O 3.3Å; T128-R136 WeakPolarHBondContact CA-O 3.45Å; M129-R136 HydrophobicContact CB-CG 4.5Å; M129-R136 PolarHBondContact N-O 3.36Å; M129-R136 PolarHBondContact O-N 3.03Å; T134-R136 PolarHBondContact O-N 2.86Å; R136-V138 HydrophobicContact CG-CG1 4.17Å
137	H	92.6	Very high	88.1	Confident	94 Å²	94	45.6 Å²	45.6	44%	0.435	22%	0.222	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.8	135.9	171.3	-72.2	-58.8	0	0	0	110.8	A127 Y311	A127-H137 WeakPolarHBondContact O-CA 2.92Å; H137-Y311 HydrophobicContact CB-CD1 4.04Å; H137-Y311 HydrophobicContact CB-CG 3.92Å; H137-Y311 WeakPolarHBondContact O-CB 2.88Å; H137-Y311 PolarHBondContact O-N 3.3Å
138	V	94.3	Very high	87.8	Confident	0 Å²	0	48 Å²	48	0%	0	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.4	163.4	177.3	-58.9	0	0	0	0	110.2	A127 M129 R136 L140 L300 V308 E309	A127-V138 HydrophobicContact CB-CG2 3.88Å; A127-V138 PolarHBondContact N-O 3.31Å; A127-V138 PolarHBondContact O-N 2.7Å; M129-V138 HydrophobicContact CB-CB 4.43Å; M129-V138 HydrophobicContact CB-CG1 3.59Å; M129-V138 HydrophobicContact CB-CG2 3.93Å; M129-V138 HydrophobicContact SD-CG1 4.3Å; R136-V138 HydrophobicContact CG-CG1 4.17Å; V138-L140 HydrophobicContact CG2-CD2 4.34Å; V138-L300 HydrophobicContact CB-CD1 4.41Å; V138-L300 HydrophobicContact CG1-CD1 3.62Å; V138-V308 HydrophobicContact CB-CG1 3.86Å; V138-V308 HydrophobicContact CG1-CG1 4.13Å; V138-V308 HydrophobicContact CG2-CG1 3.96Å; V138-E309 CarbonylContact C-O 3.6Å; V138-E309 WeakPolarHBondContact CA-O 3.16Å; V138-E309 WeakPolarHBondContact CB-O 3.5Å
139	L	92.2	Very high	87.5	Confident	9 Å²	9	48.3 Å²	48.3	5%	0.047	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.5	124	174.8	-167.9	67.1	0	0	0	108.5	V123 Y125 E309 L381	V123-L139 WeakPolarHBondContact O-CD1 3.45Å; V123-L139 WeakPolarHBondContact O-CD2 3.42Å; V123-L139 VanDerWaalsContact O-CG 3.26Å; V123-L139 WeakPolarHBondContact O-CG 3.4Å; Y125-L139 CarbonylContact O-C 2.92Å; Y125-L139 WeakPolarHBondContact O-CA 3.22Å; L139-E309 HydrophobicContact CB-CB 4.29Å; L139-E309 PolarHBondContact N-O 3.32Å; L139-E309 PolarHBondContact O-N 3.08Å; L139-L381 HydrophobicContact CD2-CD1 4.05Å
140	L	91.7	Very high	87.1	Confident	1 Å²	1	56.2 Å²	56.2	1%	0.005	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101	113.3	178.2	-62.8	-179.7	0	0	0	109.2	F96 I101 F103 G124 Y125 A127 V138 W306 V308	F96-L140 HydrophobicContact CZ-CD2 4.12Å; I101-L140 HydrophobicContact CG2-CD1 3.69Å; I101-L140 HydrophobicContact CG2-CD2 3.92Å; I101-L140 HydrophobicContact CG2-CG 4.36Å; F103-L140 HydrophobicContact CD1-CD1 4.16Å; F103-L140 HydrophobicContact CE1-CB 4.49Å; F103-L140 HydrophobicContact CE1-CD1 3.61Å; F103-L140 HydrophobicContact CZ-CD1 3.9Å; G124-L140 CarbonylContact C-O 3.52Å; G124-L140 WeakPolarHBondContact CA-O 3Å; Y125-L140 PolarHBondContact N-O 3.05Å; Y125-L140 PolarHBondContact O-N 2.91Å; A127-L140 HydrophobicContact CB-CD1 3.45Å; A127-L140 VanDerWaalsContact CB-CD1 3.45Å; A127-L140 HydrophobicContact CB-CG 3.63Å; V138-L140 HydrophobicContact CG2-CD2 4.34Å; L140-W306 HydrophobicContact CB-CE3 4.04Å; L140-W306 HydrophobicContact CB-CZ3 3.99Å; L140-V308 HydrophobicContact CD2-CB 4.31Å; L140-V308 HydrophobicContact CD2-CG1 4.1Å; L140-V308 HydrophobicContact CD2-CG2 3.72Å
141	R	90.4	Very high	86.9	Confident	2 Å²	2	56 Å²	56	1%	0.008	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111	136.2	176.4	179.8	178.7	165.4	120.7	-18.5	109.6	V122 D279 Q281 W306 S307	V122-R141 PolarHBondContact O-NH1 3.48Å; R141-D279 IonicContact CZ-OD1 3.28Å; R141-D279 IonicContact CZ-OD2 2.77Å; R141-D279 VanDerWaalsContact CZ-OD2 3.31Å; R141-D279 IonicContact NE-OD2 3.45Å; R141-D279 PolarHBondContact NE-OD2 2.87Å; R141-D279 VanDerWaalsContact NE-OD2 3.08Å; R141-D279 IonicContact NH2-OD1 3.05Å; R141-D279 PolarHBondContact NH2-OD1 2.99Å; R141-D279 IonicContact NH2-OD2 2.63Å; R141-D279 PolarHBondContact NH2-OD2 3.41Å; R141-Q281 VanDerWaalsContact NH2-OE1 3.1Å; R141-W306 CarbonylContact O-C 3.57Å; R141-W306 WeakPolarHBondContact O-CA 3.12Å; R141-S307 PolarHBondContact N-O 3.28Å; R141-S307 PolarHBondContact O-N 3.23Å; R141-S307 PolarHBondContact O-OG 2.97Å
142	R	89.6	Confident	87	Confident	13 Å²	13	52.6 Å²	52.6	5%	0.049	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.7	132.1	170.3	-167.7	179.4	70.8	178.5	-7	109.7	F120 G144 S145 A147 R305 W306	F120-R142 HydrophobicContact CD1-CB 4.18Å; F120-R142 HydrophobicContact CG-CB 4.28Å; R142-G144 PolarHBondContact O-N 2.94Å; R142-S145 WeakPolarHBondContact O-CB 3.4Å; R142-S145 PolarHBondContact O-N 2.74Å; R142-S145 VanDerWaalsContact O-N 3.08Å; R142-A147 PolarHBondContact NH2-O 1.98Å; R142-R305 CarbonylContact C-O 3.47Å; R142-R305 WeakPolarHBondContact CA-O 3.36Å; R142-R305 WeakPolarHBondContact CG-O 3.41Å; R142-W306 HydrophobicContact CB-CD2 4.41Å; R142-W306 HydrophobicContact CB-CE3 4.49Å
143	L	89.1	Confident	87.3	Confident	4 Å²	4	43.6 Å²	43.6	2%	0.021	22%	0.215	C	C	.	.	T	Hydrogen-bonded Turn	trans	-57.7	133.9	173.6	-162.1	82.3	0	0	0	110.3	A88 S145 F274 I278 D279 R305	A88-L143 HydrophobicContact CB-CD1 4.27Å; L143-S145 PolarHBondContact O-N 3.17Å; L143-F274 HydrophobicContact CD2-CD1 3.88Å; L143-F274 HydrophobicContact CD2-CE1 3.05Å; L143-F274 HydrophobicContact CD2-CZ 3.59Å; L143-I278 HydrophobicContact CD2-CB 4.44Å; L143-I278 HydrophobicContact CD2-CG2 4.08Å; L143-I278 HydrophobicContact CG-CG2 4.08Å; L143-D279 HydrophobicContact CD1-CB 3.66Å; L143-D279 HydrophobicContact CG-CB 4.03Å; L143-R305 HydrophobicContact CB-CB 4.44Å; L143-R305 WeakPolarHBondContact CB-O 3.45Å; L143-R305 PolarHBondContact N-O 3.1Å
144	G	85	Confident	87.4	Confident	0 Å²	0	40.3 Å²	40.3	0%	0	20%	0.2	C	C	.	.	T	Hydrogen-bonded Turn	trans	81.3	-5.6	-178	0	0	0	0	0	114.4	R142 A147 R395 I442	R142-G144 PolarHBondContact O-N 2.94Å; G144-A147 WeakPolarHBondContact O-CB 3.34Å; G144-A147 PolarHBondContact O-N 3.09Å; G144-R395 VanDerWaalsContact CA-NH2 3.28Å; G144-R395 PolarHBondContact O-NH1 2.78Å; G144-R395 VanDerWaalsContact O-NH1 3.14Å; G144-R395 PolarHBondContact O-NH2 3.37Å; G144-I442 WeakPolarHBondContact O-CG2 3.5Å
145	S	83.1	Confident	87.2	Confident	1 Å²	1	35.5 Å²	35.5	1%	0.007	17%	0.171	C	C	.	.	T	Hydrogen-bonded Turn	trans	-46.4	132.7	176.8	-176.6	0	0	0	0	112.7	F120 P121 R142 L143 R395	F120-S145 WeakPolarHBondContact CB-OG 3.44Å; F120-S145 PolarHBondContact O-OG 3.08Å; P121-S145 PolarHBondContact O-OG 3.08Å; P121-S145 VanDerWaalsContact O-OG 3.1Å; R142-S145 WeakPolarHBondContact O-CB 3.4Å; R142-S145 PolarHBondContact O-N 2.74Å; R142-S145 VanDerWaalsContact O-N 3.08Å; L143-S145 PolarHBondContact O-N 3.17Å; S145-R395 PolarHBondContact O-NH1 2.98Å; S145-R395 PolarHBondContact O-NH2 2.71Å
146	P	80.1	Confident	86.9	Confident	37 Å²	37	32.4 Å²	32.4	24%	0.24	15%	0.152	C	C	.	.	T	Hydrogen-bonded Turn	cis	-89	7.2	9	35.9	-36.3	0	0	0	114.3	F120	F120-P146 WeakPolarHBondContact O-CB 3.26Å
147	A	82.9	Confident	86.3	Confident	0 Å²	0	28.7 Å²	28.7	0%	0	14%	0.142	C	C	.	.	S	Bend	trans	-58.1	143.1	-179.2	0	0	0	0	0	112.1	R142 G144 A151 V152 I442	R142-A147 PolarHBondContact NH2-O 1.98Å; G144-A147 WeakPolarHBondContact O-CB 3.34Å; G144-A147 PolarHBondContact O-N 3.09Å; A147-A151 HydrophobicContact CB-CB 4.11Å; A147-V152 HydrophobicContact CB-CG2 4.12Å; A147-I442 HydrophobicContact CB-CG2 4.14Å; A147-I442 WeakPolarHBondContact CB-O 3.35Å
148	T	84.1	Confident	85.6	Confident	51 Å²	51	29.4 Å²	29.4	31%	0.313	14%	0.141	S	C	.	.			trans	-66.8	158.2	174.7	69.7	0	0	0	0	110.9	Y150 A151 V152	T148-Y150 PolarHBondContact O-N 3.25Å; T148-A151 PolarHBondContact O-N 3.29Å; T148-A151 VanDerWaalsContact O-N 3.07Å; T148-A151 PolarHBondContact OG1-N 3.48Å; T148-A151 VanDerWaalsContact OG1-N 3.1Å; T148-V152 PolarHBondContact O-N 2.96Å
149	P	84.7	Confident	84.6	Confident	28 Å²	28	32.2 Å²	32.2	18%	0.182	15%	0.151	C	C	.	.	H	α-helix	trans	-55.5	-35	174.9	-28.2	39.8	0	0	0	112.9	E80 V152 D153 R305	E80-P149 VanDerWaalsContact OE1-CB 3.3Å; E80-P149 WeakPolarHBondContact OE1-CB 3.41Å; E80-P149 WeakPolarHBondContact OE1-CG 3.14Å; P149-V152 PolarHBondContact O-N 3.4Å; P149-D153 WeakPolarHBondContact O-CB 3.48Å; P149-D153 PolarHBondContact O-N 3.23Å; P149-R305 PolarHBondContact O-NH1 3.46Å
150	Y	84.2	Confident	83.3	Confident	172 Å²	172	32.3 Å²	32.3	68%	0.675	15%	0.154	S	C	*	.	H	α-helix	trans	-67.6	-41.8	177	-60.4	-67.3	0	0	0	112.1	T148 V152 D153 E154	T148-Y150 PolarHBondContact O-N 3.25Å; Y150-V152 VanDerWaalsContact C-N 3.34Å; Y150-V152 PolarHBondContact O-N 3.07Å; Y150-D153 WeakPolarHBondContact O-CB 3.22Å; Y150-D153 PolarHBondContact O-N 3.03Å; Y150-E154 WeakPolarHBondContact O-CB 3.35Å; Y150-E154 PolarHBondContact O-N 2.86Å
151	A	85.5	Confident	81.7	Confident	7 Å²	7	35.6 Å²	35.6	6%	0.058	17%	0.172	C	C	.	.	H	α-helix	trans	-63.4	-40.9	174.7	0	0	0	0	0	111.5	A147 T148 D153 E154 A155 G446	A147-A151 HydrophobicContact CB-CB 4.11Å; T148-A151 PolarHBondContact O-N 3.29Å; T148-A151 VanDerWaalsContact O-N 3.07Å; T148-A151 PolarHBondContact OG1-N 3.48Å; T148-A151 VanDerWaalsContact OG1-N 3.1Å; A151-D153 VanDerWaalsContact C-N 3.34Å; A151-E154 PolarHBondContact O-N 3.2Å; A151-A155 WeakPolarHBondContact O-CB 3.41Å; A151-A155 PolarHBondContact O-N 2.81Å; A151-G446 WeakPolarHBondContact O-CA 3.06Å
152	V	87.7	Confident	79.8	Confident	1 Å²	1	44 Å²	44	1%	0.006	20%	0.203	C	C	.	.	H	α-helix	trans	-63.1	-42.2	174.4	179.2	0	0	0	0	111	A147 T148 P149 Y150 A155 V156 F274 I278	A147-V152 HydrophobicContact CB-CG2 4.12Å; T148-V152 PolarHBondContact O-N 2.96Å; P149-V152 PolarHBondContact O-N 3.4Å; Y150-V152 VanDerWaalsContact C-N 3.34Å; Y150-V152 PolarHBondContact O-N 3.07Å; V152-A155 WeakPolarHBondContact O-CB 3.32Å; V152-A155 PolarHBondContact O-N 3.46Å; V152-V156 WeakPolarHBondContact O-CG2 3.37Å; V152-V156 PolarHBondContact O-N 3.35Å; V152-F274 HydrophobicContact CG1-CE2 4.35Å; V152-F274 HydrophobicContact CG1-CZ 4.14Å; V152-I278 HydrophobicContact CG1-CG2 3.89Å
153	D	87.3	Confident	77.6	Confident	21 Å²	21	47.8 Å²	47.8	11%	0.112	22%	0.222	C	C	.	.	H	α-helix	trans	-60.6	-43.5	174.8	-78.2	-5.3	0	0	0	112.1	K83 P149 Y150 A151 A155 V156 C157 P180 R305	K83-D153 IonicContact NZ-OD1 2.74Å; K83-D153 PolarHBondContact NZ-OD1 3.23Å; K83-D153 IonicContact NZ-OD2 3.8Å; K83-D153 PolarHBondContact NZ-OD2 3.09Å; P149-D153 WeakPolarHBondContact O-CB 3.48Å; P149-D153 PolarHBondContact O-N 3.23Å; Y150-D153 WeakPolarHBondContact O-CB 3.22Å; Y150-D153 PolarHBondContact O-N 3.03Å; A151-D153 VanDerWaalsContact C-N 3.34Å; D153-A155 VanDerWaalsContact C-N 3.31Å; D153-A155 PolarHBondContact O-N 3.32Å; D153-V156 WeakPolarHBondContact O-CB 3.31Å; D153-V156 PolarHBondContact O-N 3.06Å; D153-C157 PolarHBondContact O-N 3.29Å; D153-C157 PolarHBondContact O-SG 3.06Å; D153-P180 HydrophobicContact CB-CB 3.92Å; D153-P180 HydrophobicContact CB-CG 3.49Å; D153-P180 VanDerWaalsContact CB-CG 3.49Å; D153-R305 IonicContact OD1-CZ 2.63Å; D153-R305 IonicContact OD1-NH1 2.74Å; D153-R305 PolarHBondContact OD1-NH1 3.31Å; D153-R305 IonicContact OD1-NH2 2.83Å; D153-R305 PolarHBondContact OD1-NH2 2.86Å
154	E	83.3	Confident	75.5	Confident	130 Å²	130	48.7 Å²	48.7	61%	0.607	23%	0.232	S	C	*	.	H	α-helix	trans	-63.1	-38.3	174.2	-172.1	178.7	176.4	0	0	111.5	Y150 A151 V156 C157 R158	Y150-E154 WeakPolarHBondContact O-CB 3.35Å; Y150-E154 PolarHBondContact O-N 2.86Å; A151-E154 PolarHBondContact O-N 3.2Å; E154-V156 VanDerWaalsContact C-N 3.34Å; E154-V156 PolarHBondContact O-N 2.73Å; E154-C157 WeakPolarHBondContact O-CB 3.31Å; E154-C157 PolarHBondContact O-N 3.34Å; E154-R158 VanDerWaalsContact O-CB 3.31Å; E154-R158 WeakPolarHBondContact O-CB 3.18Å; E154-R158 PolarHBondContact O-N 3.28Å
155	A	83	Confident	73.8	Confident	0 Å²	0	50.7 Å²	50.7	0%	0	25%	0.246	C	C	.	.	H	α-helix	trans	-63.7	-39.1	174.7	0	0	0	0	0	112.6	A151 V152 D153 C157 R158 R159 I278 S445 D447	A151-A155 WeakPolarHBondContact O-CB 3.41Å; A151-A155 PolarHBondContact O-N 2.81Å; V152-A155 WeakPolarHBondContact O-CB 3.32Å; V152-A155 PolarHBondContact O-N 3.46Å; D153-A155 VanDerWaalsContact C-N 3.31Å; D153-A155 PolarHBondContact O-N 3.32Å; A155-C157 VanDerWaalsContact C-N 3.32Å; A155-R158 PolarHBondContact O-N 3.03Å; A155-R159 PolarHBondContact O-N 3.49Å; A155-R159 VanDerWaalsContact O-N 3.09Å; A155-I278 HydrophobicContact CB-CD1 3.96Å; A155-S445 VanDerWaalsContact CB-O 3.25Å; A155-S445 WeakPolarHBondContact CB-O 3.37Å; A155-D447 HydrophobicContact CB-CB 4.03Å
156	V	82.8	Confident	72.2	Confident	1 Å²	1	58.2 Å²	58.2	1%	0.006	28%	0.28	C	S	.	.	H	α-helix	trans	-61.7	-45.3	173.8	173.5	0	0	0	0	110.6	V152 D153 E154 R159 G160 P180 I184 W187 F274	V152-V156 WeakPolarHBondContact O-CG2 3.37Å; V152-V156 PolarHBondContact O-N 3.35Å; D153-V156 WeakPolarHBondContact O-CB 3.31Å; D153-V156 PolarHBondContact O-N 3.06Å; E154-V156 VanDerWaalsContact C-N 3.34Å; E154-V156 PolarHBondContact O-N 2.73Å; V156-R159 PolarHBondContact O-N 2.97Å; V156-G160 PolarHBondContact O-N 3.47Å; V156-P180 HydrophobicContact CB-CB 4.43Å; V156-P180 HydrophobicContact CG1-CB 4.39Å; V156-P180 WeakPolarHBondContact CG1-O 3.49Å; V156-I184 HydrophobicContact CG1-CB 4.03Å; V156-W187 HydrophobicContact CG1-CZ2 4.42Å; V156-W187 PolarHBondContact O-NE1 3.43Å; V156-F274 HydrophobicContact CG2-CD2 3.88Å; V156-F274 HydrophobicContact CG2-CE2 3.39Å
157	C	79.7	Confident	70.9	Confident	31 Å²	31	62.8 Å²	62.8	21%	0.209	30%	0.302	C	S	.	.	H	α-helix	trans	-62.9	-42.1	177.2	-72.4	0	0	0	0	113	D153 E154 A155 R159 G160 C178	D153-C157 PolarHBondContact O-N 3.29Å; D153-C157 PolarHBondContact O-SG 3.06Å; E154-C157 WeakPolarHBondContact O-CB 3.31Å; E154-C157 PolarHBondContact O-N 3.34Å; A155-C157 VanDerWaalsContact C-N 3.32Å; C157-R159 VanDerWaalsContact C-N 3.3Å; C157-R159 PolarHBondContact O-N 3.47Å; C157-G160 PolarHBondContact O-N 3.31Å; C157-C178 WeakPolarHBondContact CA-SG 3.37Å; C157-C178 HydrophobicContact CB-CB 3.44Å; C157-C178 VanDerWaalsContact CB-CB 3.44Å; C157-C178 WeakPolarHBondContact CB-SG 3.44Å; C157-C178 WeakPolarHBondContact SG-CB 3.02Å; C157-C178 CovalentContact SG-SG 2Å; C157-C178 PolarHBondContact SG-SG 3.28Å
158	R	76.8	Confident	69.6	Low	108 Å²	108	67.8 Å²	67.8	41%	0.408	32%	0.324	S	S	.	.	H	α-helix	trans	-64.9	-33.2	178.3	178.6	170	54.8	96.2	-3.9	112.5	E154 A155 S445 D447	E154-R158 VanDerWaalsContact O-CB 3.31Å; E154-R158 WeakPolarHBondContact O-CB 3.18Å; E154-R158 PolarHBondContact O-N 3.28Å; A155-R158 PolarHBondContact O-N 3.03Å; R158-S445 PolarHBondContact NH2-O 2.96Å; R158-D447 IonicContact CZ-OD2 3.15Å; R158-D447 IonicContact NH1-OD2 2.66Å; R158-D447 IonicContact NH2-OD1 3.89Å; R158-D447 PolarHBondContact NH2-OD1 3.4Å; R158-D447 VanDerWaalsContact NH2-OD1 3.15Å; R158-D447 IonicContact NH2-OD2 3.13Å; R158-D447 PolarHBondContact NH2-OD2 3.29Å
159	R	72.4	Confident	68.4	Low	59 Å²	59	67.9 Å²	67.9	22%	0.223	33%	0.327	C	S	.	.	H	α-helix	trans	-85.4	-27.4	176.9	-78	-174.2	172	70.6	-0.3	114.3	A155 V156 C157 W187 A277 D447	A155-R159 PolarHBondContact O-N 3.49Å; A155-R159 VanDerWaalsContact O-N 3.09Å; V156-R159 PolarHBondContact O-N 2.97Å; C157-R159 VanDerWaalsContact C-N 3.3Å; C157-R159 PolarHBondContact O-N 3.47Å; R159-W187 HydrophobicContact CB-CH2 3.98Å; R159-W187 HydrophobicContact CB-CZ2 3.42Å; R159-W187 VanDerWaalsContact CB-CZ2 3.42Å; R159-W187 HydrophobicContact CG-CH2 4.34Å; R159-W187 HydrophobicContact CG-CZ2 4.2Å; R159-A277 PolarHBondContact NH2-O 3.11Å; R159-D447 IonicContact CZ-OD2 3.86Å; R159-D447 VanDerWaalsContact NH1-CG 3.26Å; R159-D447 IonicContact NH1-OD2 2.78Å; R159-D447 PolarHBondContact NH1-OD2 3.23Å; R159-D447 IonicContact NH2-OD2 3.18Å; R159-D447 PolarHBondContact NH2-OD2 2.65Å
160	G	65.4	Low	67.1	Low	11 Å²	11	72 Å²	72	11%	0.113	35%	0.354	C	S	.	.	S	Bend	trans	-59.1	141.8	175.9	0	0	0	0	0	111.5	V156 C157 R162	V156-G160 PolarHBondContact O-N 3.47Å; C157-G160 PolarHBondContact O-N 3.31Å; G160-R162 PolarHBondContact O-N 3.44Å
161	L	58.4	Low	65.8	Low	70 Å²	70	67.4 Å²	67.4	37%	0.366	35%	0.346	S	S	.	.			trans	-41.5	119.4	-166.8	-77.1	164.7	0	0	0	115.8	Q163 R186 L188	L161-Q163 VanDerWaalsContact C-N 3.33Å; L161-Q163 HydrophobicContact CD2-CB 3.75Å; L161-Q163 HydrophobicContact CD2-CG 3.49Å; L161-Q163 VanDerWaalsContact CD2-CG 3.49Å; L161-R186 HydrophobicContact CD1-CB 4.47Å; L161-R186 WeakPolarHBondContact CD1-O 3.33Å; L161-R186 WeakPolarHBondContact CG-O 3.37Å; L161-L188 HydrophobicContact CD1-CB 4.05Å; L161-L188 HydrophobicContact CD1-CD1 3.34Å; L161-L188 HydrophobicContact CD1-CG 3.62Å; L161-L188 HydrophobicContact CD2-CB 4.01Å; L161-L188 HydrophobicContact CD2-CD1 4.01Å; L161-L188 HydrophobicContact CD2-CG 4.4Å; L161-L188 HydrophobicContact CG-CB 4.31Å; L161-L188 HydrophobicContact CG-CD1 4.25Å; L161-L188 HydrophobicContact CG-CG 4.41Å
162	R	50.4	Low	64.5	Low	179 Å²	179	71 Å²	71	68%	0.675	36%	0.364	S	S	*	.			trans	-90	10.9	155.1	-67.8	-176.2	174.2	-177.1	-2.8	112.5	G160 G164 S165	G160-R162 PolarHBondContact O-N 3.44Å; R162-G164 PolarHBondContact O-N 3.03Å; R162-G164 VanDerWaalsContact O-N 3.15Å; R162-S165 WeakPolarHBondContact O-CB 3.4Å; R162-S165 PolarHBondContact O-N 2.91Å; R162-S165 PolarHBondContact O-OG 3.15Å; R162-S165 VanDerWaalsContact O-OG 3.05Å
163	Q	44.5	Very low	63.1	Low	93 Å²	93	74 Å²	74	44%	0.435	38%	0.38	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64.7	118.4	176.1	-76.1	-179.6	-6	0	0	109.3	L161	L161-Q163 VanDerWaalsContact C-N 3.33Å; L161-Q163 HydrophobicContact CD2-CB 3.75Å; L161-Q163 HydrophobicContact CD2-CG 3.49Å; L161-Q163 VanDerWaalsContact CD2-CG 3.49Å
164	G	44.9	Very low	61.6	Low	22 Å²	22	76.9 Å²	76.9	23%	0.227	41%	0.407	C	S	.	.	T	Hydrogen-bonded Turn	trans	98	-3	-170.7	0	0	0	0	0	115.4	R162 H166 L167 F168	R162-G164 PolarHBondContact O-N 3.03Å; R162-G164 VanDerWaalsContact O-N 3.15Å; G164-H166 PolarHBondContact O-N 3.25Å; G164-L167 WeakPolarHBondContact O-CB 3.29Å; G164-L167 PolarHBondContact O-N 3Å; G164-F168 WeakPolarHBondContact O-CD2 3.3Å
165	S	48	Very low	60.1	Low	42 Å²	42	77.3 Å²	77.3	29%	0.294	41%	0.413	S	S	.	.	G	3₁₀ helix	trans	-62.8	-16.9	-179.1	69.3	0	0	0	0	114.4	R162 L167 F168 L173	R162-S165 WeakPolarHBondContact O-CB 3.4Å; R162-S165 PolarHBondContact O-N 2.91Å; R162-S165 PolarHBondContact O-OG 3.15Å; R162-S165 VanDerWaalsContact O-OG 3.05Å; S165-L167 PolarHBondContact O-N 2.87Å; S165-F168 PolarHBondContact O-N 3.07Å; S165-L173 WeakPolarHBondContact O-CD1 3.43Å
166	H	50.6	Low	58.9	Low	159 Å²	159	82.6 Å²	82.6	74%	0.736	44%	0.441	S	S	*	.	G	3₁₀ helix	trans	-69.6	-16.8	173.7	59.5	-90	0	0	0	113	G164	G164-H166 PolarHBondContact O-N 3.25Å
167	L	51.6	Low	58	Low	134 Å²	134	87.6 Å²	87.6	70%	0.702	48%	0.476	S	S	*	.	G	3₁₀ helix	trans	-88.8	-11.5	176.9	-73.1	151.6	0	0	0	113.2	G164 S165	G164-L167 WeakPolarHBondContact O-CB 3.29Å; G164-L167 PolarHBondContact O-N 3Å; S165-L167 PolarHBondContact O-N 2.87Å
168	F	55.5	Low	57.5	Low	104 Å²	104	88.6 Å²	88.6	46%	0.456	48%	0.482	S	S	.	.	S	Bend	trans	-110.2	138.3	-176.3	-62.7	-70.8	0	0	0	110.8	G164 S165 L172 L173	G164-F168 WeakPolarHBondContact O-CD2 3.3Å; S165-F168 PolarHBondContact O-N 3.07Å; F168-L172 HydrophobicContact CD1-CD2 3.87Å; F168-L172 HydrophobicContact CE1-CD2 4.42Å; F168-L173 HydrophobicContact CB-CD1 3.84Å; F168-L173 HydrophobicContact CB-CG 4.09Å
169	S	59.1	Low	57.3	Low	53 Å²	53	87.1 Å²	87.1	37%	0.371	48%	0.482	S	S	.	.			trans	-62.6	150.5	173	65.3	0	0	0	0	110.2	S171 L172 L173	S169-S171 PolarHBondContact O-N 3.3Å; S169-S171 PolarHBondContact OG-OG 2.97Å; S169-L172 PolarHBondContact O-N 2.7Å; S169-L172 WeakPolarHBondContact OG-CB 3.07Å; S169-L172 PolarHBondContact OG-N 3.04Å; S169-L173 PolarHBondContact O-N 3.15Å; S169-L173 VanDerWaalsContact O-N 3.1Å
170	P	57.9	Low	57	Low	115 Å²	115	85.8 Å²	85.8	75%	0.747	48%	0.481	S	S	*	.	H	α-helix	trans	-52.1	-31.8	174.6	-27.9	34.6	0	0	0	113.5	A174	P170-A174 WeakPolarHBondContact O-CB 3.28Å; P170-A174 PolarHBondContact O-N 3.3Å
171	S	57	Low	57.1	Low	75 Å²	75	89.4 Å²	89.4	52%	0.524	50%	0.495	S	S	.	.	H	α-helix	trans	-68.7	-35.4	175.4	51.3	0	0	0	0	113.8	S169 A174 N175	S169-S171 PolarHBondContact O-N 3.3Å; S169-S171 PolarHBondContact OG-OG 2.97Å; S171-A174 PolarHBondContact O-N 3.43Å; S171-N175 PolarHBondContact O-N 2.88Å
172	L	58.4	Low	57.5	Low	83 Å²	83	90.1 Å²	90.1	44%	0.435	50%	0.499	S	S	.	.	H	α-helix	trans	-78.7	-35.8	-179.4	-147.1	150.3	0	0	0	110.9	F168 S169 A174 N175 L176	F168-L172 HydrophobicContact CD1-CD2 3.87Å; F168-L172 HydrophobicContact CE1-CD2 4.42Å; S169-L172 PolarHBondContact O-N 2.7Å; S169-L172 WeakPolarHBondContact OG-CB 3.07Å; S169-L172 PolarHBondContact OG-N 3.04Å; L172-A174 VanDerWaalsContact C-N 3.34Å; L172-N175 PolarHBondContact O-N 3.48Å; L172-L176 HydrophobicContact CD2-CD1 4.27Å; L172-L176 PolarHBondContact O-N 2.83Å
173	L	57.5	Low	58.3	Low	65 Å²	65	82.5 Å²	82.5	34%	0.34	47%	0.473	S	S	.	.	H	α-helix	trans	-62.9	-36.9	168.7	-89	140.8	0	0	0	112.9	S165 F168 S169 N175	S165-L173 WeakPolarHBondContact O-CD1 3.43Å; F168-L173 HydrophobicContact CB-CD1 3.84Å; F168-L173 HydrophobicContact CB-CG 4.09Å; S169-L173 PolarHBondContact O-N 3.15Å; S169-L173 VanDerWaalsContact O-N 3.1Å; L173-N175 VanDerWaalsContact C-N 3.32Å
174	A	56	Low	59.4	Low	81 Å²	81	78.1 Å²	78.1	67%	0.669	45%	0.452	S	S	*	.	H	α-helix	trans	-70.3	-27.4	175.6	0	0	0	0	0	113.1	P170 S171 L172	P170-A174 WeakPolarHBondContact O-CB 3.28Å; P170-A174 PolarHBondContact O-N 3.3Å; S171-A174 PolarHBondContact O-N 3.43Å; L172-A174 VanDerWaalsContact C-N 3.34Å
175	N	52.7	Low	60.3	Low	139 Å²	139	82.8 Å²	82.8	74%	0.743	46%	0.463	S	S	*	.	H	α-helix	trans	-87.4	-16.6	-179.2	-81.4	-7.2	0	0	0	114.4	S171 L172 L173 S177	S171-N175 PolarHBondContact O-N 2.88Å; L172-N175 PolarHBondContact O-N 3.48Å; L173-N175 VanDerWaalsContact C-N 3.32Å; N175-S177 PolarHBondContact O-N 3.2Å
176	L	58	Low	60.9	Low	111 Å²	111	89.4 Å²	89.4	58%	0.581	48%	0.482	S	S	*	.	S	Bend	trans	-74.4	93.9	174.2	-76.9	163.1	0	0	0	108.9	L172 C178	L172-L176 HydrophobicContact CD2-CD1 4.27Å; L172-L176 PolarHBondContact O-N 2.83Å; L176-C178 PolarHBondContact O-N 2.91Å
177	S	62.7	Low	61.6	Low	106 Å²	106	82.5 Å²	82.5	74%	0.741	45%	0.449	S	S	*	.			trans	-61.5	111.8	172	56.4	0	0	0	0	108.8	N175 I179	N175-S177 PolarHBondContact O-N 3.2Å; S177-I179 PolarHBondContact O-N 3.45Å
178	C	69.9	Low	61.7	Low	51 Å²	51	79.6 Å²	79.6	35%	0.345	43%	0.434	S	S	.	.			trans	-65.9	133	173.4	170.5	0	0	0	0	109.4	C157 L176 P180 S183	C157-C178 WeakPolarHBondContact CA-SG 3.37Å; C157-C178 HydrophobicContact CB-CB 3.44Å; C157-C178 VanDerWaalsContact CB-CB 3.44Å; C157-C178 WeakPolarHBondContact CB-SG 3.44Å; C157-C178 WeakPolarHBondContact SG-CB 3.02Å; C157-C178 CovalentContact SG-SG 2Å; C157-C178 PolarHBondContact SG-SG 3.28Å; L176-C178 PolarHBondContact O-N 2.91Å; C178-P180 WeakPolarHBondContact O-CD 3.48Å; C178-S183 VanDerWaalsContact SG-CB 3.6Å; C178-S183 PolarHBondContact SG-OG 3.37Å
179	I	72.6	Confident	61.3	Low	78 Å²	78	75.4 Å²	75.4	40%	0.4	42%	0.417	S	S	.	.			trans	-104.1	101.8	170.5	-61.2	173.2	0	0	0	106.7	S177 H181 L182 S183	S177-I179 PolarHBondContact O-N 3.45Å; I179-H181 VanDerWaalsContact C-N 3.34Å; I179-H181 WeakPolarHBondContact CG2-CE1 3.29Å; I179-H181 WeakPolarHBondContact CG2-ND1 3.31Å; I179-H181 PolarHBondContact O-N 3.39Å; I179-L182 HydrophobicContact CB-CB 4.2Å; I179-L182 HydrophobicContact CB-CD1 4.04Å; I179-L182 HydrophobicContact CB-CG 4.23Å; I179-L182 HydrophobicContact CD1-CD1 3.93Å; I179-L182 HydrophobicContact CG2-CB 4.15Å; I179-L182 HydrophobicContact CG2-CD1 3.82Å; I179-L182 HydrophobicContact CG2-CG 3.76Å; I179-L182 WeakPolarHBondContact O-CA 2.99Å; I179-L182 PolarHBondContact O-N 2.9Å; I179-S183 PolarHBondContact O-N 2.89Å; I179-S183 PolarHBondContact O-OG 3.47Å
180	P	67	Low	60.5	Low	30 Å²	30	76 Å²	76	20%	0.195	42%	0.419	C	S	.	.	H	α-helix	trans	-53.5	-45.1	-166	-23.8	26.6	0	0	0	114.3	D153 V156 C178 L182 S183 I184	D153-P180 HydrophobicContact CB-CB 3.92Å; D153-P180 HydrophobicContact CB-CG 3.49Å; D153-P180 VanDerWaalsContact CB-CG 3.49Å; V156-P180 HydrophobicContact CB-CB 4.43Å; V156-P180 HydrophobicContact CG1-CB 4.39Å; V156-P180 WeakPolarHBondContact CG1-O 3.49Å; C178-P180 WeakPolarHBondContact O-CD 3.48Å; P180-L182 PolarHBondContact O-N 3.39Å; P180-S183 PolarHBondContact O-N 3.33Å; P180-I184 PolarHBondContact O-N 2.97Å
181	H	66	Low	59.6	Low	87 Å²	87	72.1 Å²	72.1	40%	0.403	39%	0.391	S	S	.	.	H	α-helix	trans	-69.6	-18.8	-179.4	76.5	-89.4	0	0	0	113.5	I179 I184 W185	I179-H181 VanDerWaalsContact C-N 3.34Å; I179-H181 WeakPolarHBondContact CG2-CE1 3.29Å; I179-H181 WeakPolarHBondContact CG2-ND1 3.31Å; I179-H181 PolarHBondContact O-N 3.39Å; H181-I184 WeakPolarHBondContact O-CG2 3.44Å; H181-W185 PolarHBondContact O-NE1 3.26Å
182	L	67.6	Low	58.7	Low	86 Å²	86	71.6 Å²	71.6	45%	0.45	39%	0.385	S	S	.	.	H	α-helix	trans	-91.1	-35.7	170.7	-63.1	-179.5	0	0	0	111.3	I179 P180 I184 W185	I179-L182 HydrophobicContact CB-CB 4.2Å; I179-L182 HydrophobicContact CB-CD1 4.04Å; I179-L182 HydrophobicContact CB-CG 4.23Å; I179-L182 HydrophobicContact CD1-CD1 3.93Å; I179-L182 HydrophobicContact CG2-CB 4.15Å; I179-L182 HydrophobicContact CG2-CD1 3.82Å; I179-L182 HydrophobicContact CG2-CG 3.76Å; I179-L182 WeakPolarHBondContact O-CA 2.99Å; I179-L182 PolarHBondContact O-N 2.9Å; P180-L182 PolarHBondContact O-N 3.39Å; L182-I184 VanDerWaalsContact C-N 3.32Å; L182-I184 PolarHBondContact O-N 2.88Å; L182-W185 WeakPolarHBondContact O-CB 3.29Å; L182-W185 PolarHBondContact O-N 2.97Å
183	S	66.6	Low	57.8	Low	19 Å²	19	74.4 Å²	74.4	13%	0.133	40%	0.401	C	S	.	.	H	α-helix	trans	-66.2	-33.5	-178.9	-66	0	0	0	0	112.8	C178 I179 P180 W185 R186 W187	C178-S183 VanDerWaalsContact SG-CB 3.6Å; C178-S183 PolarHBondContact SG-OG 3.37Å; I179-S183 PolarHBondContact O-N 2.89Å; I179-S183 PolarHBondContact O-OG 3.47Å; P180-S183 PolarHBondContact O-N 3.33Å; S183-W185 VanDerWaalsContact C-N 3.26Å; S183-W185 PolarHBondContact O-N 2.82Å; S183-R186 CarbonylContact O-C 3.55Å; S183-R186 WeakPolarHBondContact O-CA 3.32Å; S183-R186 WeakPolarHBondContact O-CB 3.5Å; S183-R186 PolarHBondContact O-N 3.32Å; S183-W187 VanDerWaalsContact O-CD1 3.3Å; S183-W187 PolarHBondContact O-N 3.29Å
184	I	68.5	Low	56.8	Low	1 Å²	1	77.6 Å²	77.6	1%	0.005	42%	0.418	C	S	.	.	G	3₁₀ helix	trans	-60	-36.3	174.7	-168.1	169.5	0	0	0	112.4	P85 G86 V156 P180 H181 L182 R186 W187 L270 F274	P85-I184 HydrophobicContact CB-CD1 4.45Å; P85-I184 HydrophobicContact CG-CD1 4.16Å; P85-I184 HydrophobicContact CG-CG1 4.38Å; P85-I184 HydrophobicContact CG-CG2 3.84Å; G86-I184 VanDerWaalsContact CA-CD1 3.4Å; V156-I184 HydrophobicContact CG1-CB 4.03Å; P180-I184 PolarHBondContact O-N 2.97Å; H181-I184 WeakPolarHBondContact O-CG2 3.44Å; L182-I184 VanDerWaalsContact C-N 3.32Å; L182-I184 PolarHBondContact O-N 2.88Å; I184-R186 PolarHBondContact O-N 2.93Å; I184-W187 HydrophobicContact CG1-CG 4.47Å; I184-W187 VanDerWaalsContact O-CB 3.32Å; I184-W187 WeakPolarHBondContact O-CB 3.18Å; I184-W187 PolarHBondContact O-N 2.86Å; I184-L270 HydrophobicContact CG1-CB 4.5Å; I184-L270 VanDerWaalsContact O-CD2 3.23Å; I184-L270 WeakPolarHBondContact O-CD2 3.35Å; I184-F274 HydrophobicContact CD1-CB 3.77Å; I184-F274 HydrophobicContact CD1-CD2 3.85Å; I184-F274 HydrophobicContact CD1-CG 3.9Å
185	W	62.9	Low	56.1	Low	120 Å²	120	82.1 Å²	82.1	46%	0.455	43%	0.425	S	S	.	.	G	3₁₀ helix	trans	-65	-21.4	175.6	-67.5	101.3	0	0	0	113.3	P85 H181 L182 S183 F267 L270	P85-W185 HydrophobicContact CG-CD2 4.27Å; P85-W185 HydrophobicContact CG-CZ2 3.99Å; H181-W185 PolarHBondContact O-NE1 3.26Å; L182-W185 WeakPolarHBondContact O-CB 3.29Å; L182-W185 PolarHBondContact O-N 2.97Å; S183-W185 VanDerWaalsContact C-N 3.26Å; S183-W185 PolarHBondContact O-N 2.82Å; W185-F267 HydrophobicContact CH2-CB 4.23Å; W185-F267 AromaticContact CH2-CD2 3.57Å; W185-F267 HydrophobicContact CH2-CD2 3.57Å; W185-F267 HydrophobicContact CH2-CE2 4.48Å; W185-F267 HydrophobicContact CH2-CG 4.38Å; W185-F267 AromaticContact CZ2-CD2 3.84Å; W185-F267 HydrophobicContact CZ2-CD2 3.84Å; W185-F267 HydrophobicContact CZ2-CE2 4.34Å; W185-L270 HydrophobicContact CD2-CD1 3.96Å; W185-L270 HydrophobicContact CE3-CD1 3.45Å; W185-L270 VanDerWaalsContact CE3-CD1 3.45Å; W185-L270 HydrophobicContact CG-CD1 4.44Å; W185-L270 HydrophobicContact CZ3-CD1 4.04Å
186	R	61.8	Low	55.4	Low	181 Å²	181	80.4 Å²	80.4	68%	0.683	42%	0.416	S	S	*	.	G	3₁₀ helix	trans	-91.6	5	173.8	-57.2	-178.2	179.2	-176.7	-0.7	112.8	L161 S183 I184 L188	L161-R186 HydrophobicContact CD1-CB 4.47Å; L161-R186 WeakPolarHBondContact CD1-O 3.33Å; L161-R186 WeakPolarHBondContact CG-O 3.37Å; S183-R186 CarbonylContact O-C 3.55Å; S183-R186 WeakPolarHBondContact O-CA 3.32Å; S183-R186 WeakPolarHBondContact O-CB 3.5Å; S183-R186 PolarHBondContact O-N 3.32Å; I184-R186 PolarHBondContact O-N 2.93Å; R186-L188 PolarHBondContact O-N 3.09Å; R186-L188 VanDerWaalsContact O-N 3.11Å
187	W	65.4	Low	54.6	Low	13 Å²	13	81.1 Å²	81.1	5%	0.049	43%	0.427	C	S	.	.	P	Polyproline II helix	trans	-64.6	117.1	171.1	-78.3	29.4	0	0	0	107.7	V156 R159 S183 I184 F233 R266 L270 L273 A277	V156-W187 HydrophobicContact CG1-CZ2 4.42Å; V156-W187 PolarHBondContact O-NE1 3.43Å; R159-W187 HydrophobicContact CB-CH2 3.98Å; R159-W187 HydrophobicContact CB-CZ2 3.42Å; R159-W187 VanDerWaalsContact CB-CZ2 3.42Å; R159-W187 HydrophobicContact CG-CH2 4.34Å; R159-W187 HydrophobicContact CG-CZ2 4.2Å; S183-W187 VanDerWaalsContact O-CD1 3.3Å; S183-W187 PolarHBondContact O-N 3.29Å; I184-W187 HydrophobicContact CG1-CG 4.47Å; I184-W187 VanDerWaalsContact O-CB 3.32Å; I184-W187 WeakPolarHBondContact O-CB 3.18Å; I184-W187 PolarHBondContact O-N 2.86Å; W187-F233 HydrophobicContact CE3-CZ 4.5Å; W187-F233 HydrophobicContact CZ3-CE2 4.29Å; W187-F233 AromaticContact CZ3-CZ 3.92Å; W187-F233 HydrophobicContact CZ3-CZ 3.92Å; W187-R266 PolarHBondContact O-NH2 3.46Å; W187-L270 HydrophobicContact CB-CD2 3.82Å; W187-L273 HydrophobicContact CE3-CB 4.42Å; W187-A277 HydrophobicContact CH2-CB 3.75Å; W187-A277 HydrophobicContact CZ3-CB 3.86Å
188	L	53.8	Low	53.4	Low	74 Å²	74	84.3 Å²	84.3	39%	0.387	43%	0.428	S	S	.	.	P	Polyproline II helix	trans	-99.1	153.2	167.8	-77	166	0	0	0	109.3	L161 R186 T190	L161-L188 HydrophobicContact CD1-CB 4.05Å; L161-L188 HydrophobicContact CD1-CD1 3.34Å; L161-L188 HydrophobicContact CD1-CG 3.62Å; L161-L188 HydrophobicContact CD2-CB 4.01Å; L161-L188 HydrophobicContact CD2-CD1 4.01Å; L161-L188 HydrophobicContact CD2-CG 4.4Å; L161-L188 HydrophobicContact CG-CB 4.31Å; L161-L188 HydrophobicContact CG-CD1 4.25Å; L161-L188 HydrophobicContact CG-CG 4.41Å; R186-L188 PolarHBondContact O-N 3.09Å; R186-L188 VanDerWaalsContact O-N 3.11Å; L188-T190 PolarHBondContact O-N 3.15Å
189	P	46.4	Very low	52	Low	16 Å²	16	85.4 Å²	85.4	10%	0.104	44%	0.436	C	S	.	.	P	Polyproline II helix	trans	-49.1	134.3	161.9	-29.1	38.4	0	0	0	112.2	N191 T192 V210	P189-N191 PolarHBondContact O-N 2.82Å; P189-T192 HydrophobicContact CB-CG2 4.41Å; P189-V210 HydrophobicContact CB-CB 3.8Å; P189-V210 HydrophobicContact CB-CG1 3.58Å; P189-V210 HydrophobicContact CB-CG2 3.45Å; P189-V210 VanDerWaalsContact CB-CG2 3.45Å; P189-V210 HydrophobicContact CG-CB 4.33Å; P189-V210 HydrophobicContact CG-CG1 3.97Å; P189-V210 HydrophobicContact CG-CG2 3.66Å
190	T	41.1	Very low	50.2	Low	66 Å²	66	88.9 Å²	88.9	41%	0.405	46%	0.456	S	S	.	.	T	Hydrogen-bonded Turn	trans	-73.3	1.5	-170.2	45.4	0	0	0	0	115.1	L188 V210	L188-T190 PolarHBondContact O-N 3.15Å; T190-V210 PolarHBondContact N-O 3.28Å; T190-V210 PolarHBondContact OG1-O 3.16Å; T190-V210 VanDerWaalsContact OG1-O 3.1Å
191	N	38.9	Very low	48.9	Very low	32 Å²	32	91.1 Å²	91.1	17%	0.171	47%	0.472	C	S	.	.	T	Hydrogen-bonded Turn	trans	-131.9	28.6	178.6	-47	-51.4	0	0	0	116.1	P189 D193 E209 A212 P214	P189-N191 PolarHBondContact O-N 2.82Å; N191-D193 VanDerWaalsContact C-N 3.32Å; N191-D193 PolarHBondContact O-N 3.5Å; N191-E209 WeakPolarHBondContact CB-O 3.39Å; N191-E209 VanDerWaalsContact CG-O 3.32Å; N191-E209 PolarHBondContact ND2-O 3.29Å; N191-A212 WeakPolarHBondContact ND2-CA 3.44Å; N191-A212 WeakPolarHBondContact ND2-CB 3.29Å; N191-A212 PolarHBondContact ND2-N 3.1Å; N191-A212 PolarHBondContact ND2-O 3.36Å; N191-A212 PolarHBondContact OD1-O 2.93Å; N191-A212 VanDerWaalsContact OD1-O 3.09Å; N191-P214 WeakPolarHBondContact OD1-CD 3.24Å; N191-P214 WeakPolarHBondContact OD1-CG 3.34Å
192	T	38.3	Very low	47.7	Very low	65 Å²	65	92.8 Å²	92.8	40%	0.399	49%	0.488	S	S	.	.			trans	-71.9	96.1	163.3	55.9	0	0	0	0	108.5	P189 N194	P189-T192 HydrophobicContact CB-CG2 4.41Å; T192-N194 PolarHBondContact O-N 2.83Å
193	D	41	Very low	46.3	Very low	141 Å²	141	95.3 Å²	95.3	75%	0.754	50%	0.497	S	S	*	.			trans	-56.1	120	163.9	-82.7	-28.6	0	0	0	108.1	N191 H195	N191-D193 VanDerWaalsContact C-N 3.32Å; N191-D193 PolarHBondContact O-N 3.5Å; D193-H195 PolarHBondContact O-N 3.1Å
194	N	36.4	Very low	44.9	Very low	133 Å²	133	98.9 Å²	98.9	71%	0.711	52%	0.522	S	S	*	.	S	Bend	trans	-64.1	89.4	179.6	-80.6	-30.6	0	0	0	110.2	T192	T192-N194 PolarHBondContact O-N 2.83Å
195	H	40.7	Very low	43.7	Very low	176 Å²	176	103.1 Å²	103.1	82%	0.815	55%	0.55	S	S	*	*	S	Bend	trans	-126.5	-4.3	166.2	-82.3	-53.8	0	0	0	115.8	D193	D193-H195 PolarHBondContact O-N 3.1Å
196	D	38.9	Very low	42.9	Very low	103 Å²	103	98.1 Å²	98.1	55%	0.551	53%	0.532	S	S	*	.			trans	-154.6	110.5	169.4	-150.8	-20.9	0	0	0	113.3	F198	D196-F198 PolarHBondContact O-N 3.07Å; D196-F198 PolarHBondContact OD1-N 2.73Å
197	P	39.7	Very low	42.3	Very low	125 Å²	125	91.3 Å²	91.3	81%	0.812	52%	0.519	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.9	-7.6	174.1	-13.6	27.9	0	0	0	113.8
198	F	38.6	Very low	41.3	Very low	173 Å²	173	92.5 Å²	92.5	76%	0.759	52%	0.523	S	S	*	.	T	Hydrogen-bonded Turn	trans	-119.1	8.5	-174.1	-67.6	-79.8	0	0	0	114.3	D196 N200	D196-F198 PolarHBondContact O-N 3.07Å; D196-F198 PolarHBondContact OD1-N 2.73Å; F198-N200 PolarHBondContact O-N 3.44Å
199	S	40.1	Very low	41.1	Very low	75 Å²	75	96.2 Å²	96.2	52%	0.524	54%	0.538	S	S	.	.			trans	-71.6	112.7	174.9	177.1	0	0	0	0	110.6	S201	S199-S201 PolarHBondContact O-N 3.4Å
200	N	34.1	Very low	41.2	Very low	151 Å²	151	96 Å²	96	81%	0.807	54%	0.537	S	S	*	.			trans	-69.9	52.4	175.8	-70.4	-32.4	0	0	0	112.5	F198 V202	F198-N200 PolarHBondContact O-N 3.44Å; N200-V202 PolarHBondContact O-N 2.95Å
201	S	39.4	Very low	41.8	Very low	77 Å²	77	92.9 Å²	92.9	54%	0.538	52%	0.518	S	S	.	.			trans	-76.6	14.7	-178.9	67.3	0	0	0	0	114.6	S199 E203 S204	S199-S201 PolarHBondContact O-N 3.4Å; S201-E203 PolarHBondContact O-N 2.96Å; S201-S204 PolarHBondContact O-N 3.27Å
202	V	40.9	Very low	42	Very low	121 Å²	121	92.2 Å²	92.2	73%	0.733	52%	0.516	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.2	-0.1	-172.7	-175.5	0	0	0	0	113.5	N200	N200-V202 PolarHBondContact O-N 2.95Å
203	E	38.9	Very low	42.4	Very low	139 Å²	139	91.7 Å²	91.7	65%	0.65	51%	0.513	S	S	*	.	T	Hydrogen-bonded Turn	trans	-121.2	-2.6	-176.3	-48.6	-154.3	138.6	0	0	114.9	S201 R263	S201-E203 PolarHBondContact O-N 2.96Å; E203-R263 VanDerWaalsContact CG-NH2 3.35Å; E203-R263 IonicContact OE1-CZ 3.88Å; E203-R263 IonicContact OE1-NH1 3.66Å; E203-R263 PolarHBondContact OE1-NH1 3.34Å; E203-R263 IonicContact OE1-NH2 3.21Å; E203-R263 PolarHBondContact OE1-NH2 2.85Å
204	S	37.8	Very low	42.2	Very low	94 Å²	94	89.2 Å²	89.2	66%	0.657	50%	0.504	S	S	*	.	S	Bend	trans	-82.3	127.9	179.2	-61.3	0	0	0	0	110.5	S201 L206	S201-S204 PolarHBondContact O-N 3.27Å; S204-L206 PolarHBondContact O-N 3.13Å
205	P	41.9	Very low	42.3	Very low	91 Å²	91	87.1 Å²	87.1	59%	0.591	49%	0.492	S	S	*	.	P	Polyproline II helix	trans	-56.4	141.7	169.6	22.9	-29.9	0	0	0	109.3	G207	P205-G207 PolarHBondContact O-N 3.09Å
206	L	46.3	Very low	42.1	Very low	15 Å²	15	83.9 Å²	83.9	8%	0.079	49%	0.487	C	S	.	.	P	Polyproline II helix	trans	-48.6	117.9	-179.5	-70.4	157	0	0	0	109.9	S204 V210 F245 W264 E269 F272	S204-L206 PolarHBondContact O-N 3.13Å; L206-V210 HydrophobicContact CB-CG2 4.3Å; L206-V210 HydrophobicContact CD2-CB 3.75Å; L206-V210 HydrophobicContact CD2-CG1 3.63Å; L206-V210 HydrophobicContact CD2-CG2 3.24Å; L206-V210 HydrophobicContact CG-CG2 4.43Å; L206-F245 HydrophobicContact CB-CE1 3.41Å; L206-F245 VanDerWaalsContact CB-CE1 3.41Å; L206-F245 HydrophobicContact CB-CZ 3.59Å; L206-F245 HydrophobicContact CD1-CE1 4.39Å; L206-F245 HydrophobicContact CD1-CZ 3.83Å; L206-F245 HydrophobicContact CG-CE1 4.48Å; L206-F245 HydrophobicContact CG-CZ 4.25Å; L206-F245 VanDerWaalsContact O-CE1 3.25Å; L206-F245 WeakPolarHBondContact O-CE1 3.4Å; L206-W264 HydrophobicContact CB-CE3 4.43Å; L206-W264 HydrophobicContact CB-CH2 4.29Å; L206-W264 HydrophobicContact CB-CZ3 3.59Å; L206-W264 HydrophobicContact CD1-CE3 4Å; L206-W264 HydrophobicContact CD1-CH2 3.14Å; L206-W264 HydrophobicContact CD1-CZ2 4.02Å; L206-W264 HydrophobicContact CD1-CZ3 3.12Å; L206-W264 HydrophobicContact CG-CE3 4.21Å; L206-W264 HydrophobicContact CG-CH2 4.09Å; L206-W264 HydrophobicContact CG-CZ3 3.54Å; L206-E269 HydrophobicContact CD1-CB 4.15Å; L206-E269 HydrophobicContact CD1-CG 3.56Å; L206-E269 HydrophobicContact CD2-CG 4.07Å; L206-E269 WeakPolarHBondContact CD2-OE1 3.49Å; L206-E269 HydrophobicContact CG-CG 4.03Å; L206-F272 HydrophobicContact CD1-CD1 4.37Å
207	G	49.5	Very low	41.7	Very low	38 Å²	38	84.9 Å²	84.9	39%	0.392	50%	0.502	S	S	.	.	P	Polyproline II helix	trans	-83.9	164.7	166.5	0	0	0	0	0	110.9	P205 E209 V210	P205-G207 PolarHBondContact O-N 3.09Å; G207-E209 PolarHBondContact O-N 3.33Å; G207-V210 WeakPolarHBondContact O-CG2 3.46Å; G207-V210 PolarHBondContact O-N 3.05Å
208	R	45.2	Very low	41.3	Very low	38 Å²	38	83 Å²	83	14%	0.143	49%	0.488	C	S	.	.	G	3₁₀ helix	trans	-52	-23.3	173.4	172.3	178.6	178.1	-163.1	-4.2	114.6	V210 L211 A212 K226 S227 V229 D242	R208-V210 PolarHBondContact O-N 2.9Å; R208-V210 VanDerWaalsContact O-N 3.07Å; R208-L211 PolarHBondContact O-N 2.91Å; R208-A212 PolarHBondContact O-N 3.36Å; R208-K226 PolarHBondContact NH2-O 2.99Å; R208-S227 PolarHBondContact NH1-O 3.13Å; R208-S227 PolarHBondContact NH2-O 3.45Å; R208-V229 VanDerWaalsContact NH2-N 3.18Å; R208-D242 WeakPolarHBondContact CB-OD1 3.41Å; R208-D242 VanDerWaalsContact CD-CG 3.41Å; R208-D242 WeakPolarHBondContact CD-OD1 3.2Å; R208-D242 VanDerWaalsContact CD-OD2 3.29Å; R208-D242 WeakPolarHBondContact CD-OD2 3.08Å; R208-D242 IonicContact CZ-OD2 3.52Å; R208-D242 IonicContact NE-OD2 2.7Å; R208-D242 IonicContact NH1-OD2 3.53Å; R208-D242 PolarHBondContact NH1-OD2 2.83Å
209	E	48.9	Very low	41	Very low	152 Å²	152	81.2 Å²	81.2	71%	0.71	49%	0.487	S	S	*	.	G	3₁₀ helix	trans	-54.5	-20.1	171.3	-65.2	178.5	-176.9	0	0	112.8	N191 G207	N191-E209 WeakPolarHBondContact CB-O 3.39Å; N191-E209 VanDerWaalsContact CG-O 3.32Å; N191-E209 PolarHBondContact ND2-O 3.29Å; G207-E209 PolarHBondContact O-N 3.33Å
210	V	49.7	Very low	40.8	Very low	12 Å²	12	86.1 Å²	86.1	7%	0.073	50%	0.501	C	S	.	.	G	3₁₀ helix	trans	-76.2	-26.2	177.6	174.4	0	0	0	0	113	P189 T190 L206 G207 R208 L273	P189-V210 HydrophobicContact CB-CB 3.8Å; P189-V210 HydrophobicContact CB-CG1 3.58Å; P189-V210 HydrophobicContact CB-CG2 3.45Å; P189-V210 VanDerWaalsContact CB-CG2 3.45Å; P189-V210 HydrophobicContact CG-CB 4.33Å; P189-V210 HydrophobicContact CG-CG1 3.97Å; P189-V210 HydrophobicContact CG-CG2 3.66Å; T190-V210 PolarHBondContact N-O 3.28Å; T190-V210 PolarHBondContact OG1-O 3.16Å; T190-V210 VanDerWaalsContact OG1-O 3.1Å; L206-V210 HydrophobicContact CB-CG2 4.3Å; L206-V210 HydrophobicContact CD2-CB 3.75Å; L206-V210 HydrophobicContact CD2-CG1 3.63Å; L206-V210 HydrophobicContact CD2-CG2 3.24Å; L206-V210 HydrophobicContact CG-CG2 4.43Å; G207-V210 WeakPolarHBondContact O-CG2 3.46Å; G207-V210 PolarHBondContact O-N 3.05Å; R208-V210 PolarHBondContact O-N 2.9Å; R208-V210 VanDerWaalsContact O-N 3.07Å; V210-L273 HydrophobicContact CG1-CD1 4.42Å; V210-L273 HydrophobicContact CG1-CD2 4.28Å
211	L	52	Low	40.8	Very low	0 Å²	0	88 Å²	88	0%	0	50%	0.502	C	S	.	.	T	Hydrogen-bonded Turn	trans	-108.7	-12.7	-172.6	-65.2	-172.1	0	0	0	114.7	R208 S231 F233 T237 F245 L273	R208-L211 PolarHBondContact O-N 2.91Å; L211-S231 VanDerWaalsContact O-CA 3.25Å; L211-S231 WeakPolarHBondContact O-CA 3.29Å; L211-S231 WeakPolarHBondContact O-CB 3.35Å; L211-S231 PolarHBondContact O-OG 3.35Å; L211-F233 HydrophobicContact CD2-CB 3.83Å; L211-F233 HydrophobicContact CD2-CD1 3.91Å; L211-F233 HydrophobicContact CD2-CD2 4.15Å; L211-F233 HydrophobicContact CD2-CG 3.69Å; L211-T237 HydrophobicContact CD1-CG2 3.82Å; L211-F245 HydrophobicContact CD1-CD2 3.18Å; L211-F245 HydrophobicContact CD1-CE2 3.35Å; L211-F245 HydrophobicContact CD1-CG 4.24Å; L211-F245 HydrophobicContact CD2-CE2 4.39Å; L211-F245 HydrophobicContact CG-CD2 4.02Å; L211-F245 HydrophobicContact CG-CE2 3.78Å; L211-L273 HydrophobicContact CD2-CD2 4.29Å
212	A	44.9	Very low	40.7	Very low	17 Å²	17	87 Å²	87	14%	0.14	50%	0.495	C	S	.	.	B	Isolated β-bridge	trans	-68.1	167.9	178.5	0	0	0	0	0	111.7	N191 R208 V229	N191-A212 WeakPolarHBondContact ND2-CA 3.44Å; N191-A212 WeakPolarHBondContact ND2-CB 3.29Å; N191-A212 PolarHBondContact ND2-N 3.1Å; N191-A212 PolarHBondContact ND2-O 3.36Å; N191-A212 PolarHBondContact OD1-O 2.93Å; N191-A212 VanDerWaalsContact OD1-O 3.09Å; R208-A212 PolarHBondContact O-N 3.36Å; A212-V229 HydrophobicContact CB-CG1 3.59Å
213	V	44.9	Very low	40.8	Very low	55 Å²	55	83.7 Å²	83.7	33%	0.333	48%	0.475	S	S	.	.			trans	-101.5	144.4	170.3	-178.9	0	0	0	0	108	I215 S232	V213-I215 PolarHBondContact O-N 3.27Å; V213-S232 VanDerWaalsContact CG2-CB 3.49Å; V213-S232 WeakPolarHBondContact CG2-OG 3.06Å
214	P	38.6	Very low	40.9	Very low	88 Å²	88	85.1 Å²	85.1	57%	0.571	48%	0.482	S	S	*	.			trans	-64.6	106.2	164.5	-11.8	26.7	0	0	0	108.1	N191	N191-P214 WeakPolarHBondContact OD1-CD 3.24Å; N191-P214 WeakPolarHBondContact OD1-CG 3.34Å
215	I	38.5	Very low	41.2	Very low	89 Å²	89	87 Å²	87	46%	0.456	48%	0.484	S	S	.	.			trans	-74.2	123.6	175.3	-58.2	175.7	0	0	0	107.2	V213 S217 V218 V223	V213-I215 PolarHBondContact O-N 3.27Å; I215-S217 PolarHBondContact O-N 3.07Å; I215-V218 HydrophobicContact CG2-CB 4.44Å; I215-V218 HydrophobicContact CG2-CG2 4.3Å; I215-V223 HydrophobicContact CD1-CG1 3.98Å; I215-V223 HydrophobicContact CD1-CG2 4.04Å
216	P	34.6	Very low	41.7	Very low	108 Å²	108	89.6 Å²	89.6	70%	0.701	49%	0.486	S	S	*	.			trans	-65.2	113.4	174.2	-7.3	20.6	0	0	0	109.3	V218	P216-V218 PolarHBondContact O-N 3.38Å
217	S	30.6	Very low	42.3	Very low	124 Å²	124	89.5 Å²	89.5	87%	0.867	49%	0.487	S	S	*	.	S	Bend	trans	38.1	47.7	156.5	68.5	0	0	0	0	118	I215	I215-S217 PolarHBondContact O-N 3.07Å
218	V	32.9	Very low	42.9	Very low	87 Å²	87	88.7 Å²	88.7	53%	0.527	47%	0.474	S	S	.	.	S	Bend	trans	-99.3	115.4	160.8	-179.2	0	0	0	0	106.5	I215 P216 Q220	I215-V218 HydrophobicContact CG2-CB 4.44Å; I215-V218 HydrophobicContact CG2-CG2 4.3Å; P216-V218 PolarHBondContact O-N 3.38Å; V218-Q220 PolarHBondContact O-N 3.19Å; V218-Q220 VanDerWaalsContact O-N 3.15Å
219	N	30.6	Very low	43.8	Very low	135 Å²	135	88 Å²	88	72%	0.722	48%	0.475	S	S	*	.			trans	-7.1	103.8	177.3	-78.2	-21.3	0	0	0	113.6	K221 S222	N219-K221 PolarHBondContact O-N 3.1Å; N219-S222 PolarHBondContact O-N 2.9Å; N219-S222 PolarHBondContact O-OG 3.3Å
220	Q	37.1	Very low	44.8	Very low	177 Å²	177	84.9 Å²	84.9	83%	0.827	46%	0.459	S	S	*	.	G	3₁₀ helix	trans	-46.8	-30.1	-177.2	-87.6	167.5	-33.4	0	0	113.2	V218 S222 V223	V218-Q220 PolarHBondContact O-N 3.19Å; V218-Q220 VanDerWaalsContact O-N 3.15Å; Q220-S222 PolarHBondContact O-N 3.48Å; Q220-S222 VanDerWaalsContact O-N 3.13Å; Q220-V223 PolarHBondContact O-N 2.76Å
221	K	32.8	Very low	45.7	Very low	190 Å²	190	84.3 Å²	84.3	83%	0.826	46%	0.455	S	S	*	.	G	3₁₀ helix	trans	-62.6	-13.9	174.8	-71.2	-174.4	174.8	-178.3	0	116	N219	N219-K221 PolarHBondContact O-N 3.1Å
222	S	37.9	Very low	46.4	Very low	57 Å²	57	87 Å²	87	40%	0.399	47%	0.474	S	S	.	.	G	3₁₀ helix	trans	-99.9	-17.3	179.1	70.6	0	0	0	0	114	N219 Q220	N219-S222 PolarHBondContact O-N 2.9Å; N219-S222 PolarHBondContact O-OG 3.3Å; Q220-S222 PolarHBondContact O-N 3.48Å; Q220-S222 VanDerWaalsContact O-N 3.13Å
223	V	43.4	Very low	47.9	Very low	51 Å²	51	87.3 Å²	87.3	31%	0.309	47%	0.472	S	S	.	.	T	Hydrogen-bonded Turn	trans	-85.6	-32.1	-176.7	-179.3	0	0	0	0	111.1	I215 Q220 N225 K226	I215-V223 HydrophobicContact CD1-CG1 3.98Å; I215-V223 HydrophobicContact CD1-CG2 4.04Å; Q220-V223 PolarHBondContact O-N 2.76Å; V223-N225 PolarHBondContact O-N 3.43Å; V223-K226 PolarHBondContact O-N 3.17Å
224	E	40.4	Very low	49.9	Very low	170 Å²	170	84.7 Å²	84.7	79%	0.794	46%	0.456	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.2	-21.9	175.4	-83.9	177	148.3	0	0	114.1
225	N	44.6	Very low	52.4	Low	132 Å²	132	80.5 Å²	80.5	71%	0.706	43%	0.429	S	S	*	.	T	Hydrogen-bonded Turn	trans	-91.3	1.2	-177.9	-84.6	-15	0	0	0	115	V223	V223-N225 PolarHBondContact O-N 3.43Å
226	K	52.1	Low	55	Low	147 Å²	147	76.3 Å²	76.3	64%	0.639	41%	0.407	S	S	*	.			trans	-102.7	108	176.4	-71.2	-174.6	-179.9	179	0	110.4	R208 V223 V228	R208-K226 PolarHBondContact NH2-O 2.99Å; V223-K226 PolarHBondContact O-N 3.17Å; K226-V228 VanDerWaalsContact C-N 3.26Å; K226-V228 PolarHBondContact O-N 3.02Å
227	S	59.6	Low	57.6	Low	13 Å²	13	71.2 Å²	71.2	9%	0.091	37%	0.374	C	S	.	.	S	Bend	trans	-70.6	-18.9	177.4	59.9	0	0	0	0	115	R208 T404 F408	R208-S227 PolarHBondContact NH1-O 3.13Å; R208-S227 PolarHBondContact NH2-O 3.45Å; S227-T404 VanDerWaalsContact OG-CG2 3.22Å; S227-T404 WeakPolarHBondContact OG-CG2 3.48Å; S227-F408 VanDerWaalsContact CB-CG 3.41Å; S227-F408 WeakPolarHBondContact OG-CB 3.18Å; S227-F408 WeakPolarHBondContact OG-CD2 3.37Å; S227-F408 WeakPolarHBondContact OG-CG 3.22Å
228	V	62.1	Low	60.4	Low	21 Å²	21	66.1 Å²	66.1	13%	0.127	34%	0.336	C	S	.	.	S	Bend	trans	-110.8	118.4	170.7	-177.5	0	0	0	0	108.4	K226 C239 S240 T404 L405	K226-V228 VanDerWaalsContact C-N 3.26Å; K226-V228 PolarHBondContact O-N 3.02Å; V228-C239 HydrophobicContact CG1-CB 4.03Å; V228-S240 CarbonylContact C-O 3.25Å; V228-S240 WeakPolarHBondContact CA-O 3.41Å; V228-T404 HydrophobicContact CG2-CG2 4.01Å; V228-L405 HydrophobicContact CB-CD2 4.15Å; V228-L405 HydrophobicContact CG2-CD2 3.58Å; V228-L405 HydrophobicContact CG2-CG 4.01Å
229	V	64.8	Low	63	Low	24 Å²	24	62 Å²	62	15%	0.145	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.2	139.2	176.7	161.2	0	0	0	0	110.2	R208 A212 S231 S240	R208-V229 VanDerWaalsContact NH2-N 3.18Å; A212-V229 HydrophobicContact CB-CG1 3.59Å; V229-S231 PolarHBondContact O-N 3.25Å; V229-S240 PolarHBondContact N-O 3.11Å; V229-S240 WeakPolarHBondContact O-CB 3.33Å; V229-S240 PolarHBondContact O-N 3.03Å
230	K	69	Low	65.6	Low	86 Å²	86	55.6 Å²	55.6	37%	0.374	28%	0.277	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-72	110.5	177.7	-83.2	174.9	-175.9	-177	0	110.6	R238 D462	K230-R238 VanDerWaalsContact CA-O 3.26Å; K230-R238 WeakPolarHBondContact CA-O 3.38Å; K230-R238 VanDerWaalsContact CB-NH1 3.31Å; K230-D462 VanDerWaalsContact CE-OD1 3.31Å; K230-D462 WeakPolarHBondContact CE-OD1 3.21Å; K230-D462 WeakPolarHBondContact CE-OD2 3.48Å; K230-D462 VanDerWaalsContact NZ-CB 3.34Å; K230-D462 IonicContact NZ-OD1 3.75Å; K230-D462 IonicContact NZ-OD2 3.69Å; K230-D462 PolarHBondContact NZ-OD2 3.3Å
231	S	67.9	Low	67.8	Low	0 Å²	0	47.2 Å²	47.2	0%	0	24%	0.238	C	C	.	.	B	Isolated β-bridge	trans	-85.1	152.1	176.9	-178	0	0	0	0	112.8	L211 V229 F233 T237 R238 N451	L211-S231 VanDerWaalsContact O-CA 3.25Å; L211-S231 WeakPolarHBondContact O-CA 3.29Å; L211-S231 WeakPolarHBondContact O-CB 3.35Å; L211-S231 PolarHBondContact O-OG 3.35Å; V229-S231 PolarHBondContact O-N 3.25Å; S231-F233 WeakPolarHBondContact OG-CB 3.07Å; S231-F233 PolarHBondContact OG-N 3.01Å; S231-T237 WeakPolarHBondContact CB-O 3.33Å; S231-T237 PolarHBondContact OG-OG1 2.79Å; S231-R238 PolarHBondContact N-O 2.04Å; S231-R238 WeakPolarHBondContact O-CD 3.46Å; S231-R238 PolarHBondContact O-NH1 3.17Å; S231-N451 PolarHBondContact O-ND2 3.44Å
232	S	67.4	Low	70	Confident	56 Å²	56	42.2 Å²	42.2	39%	0.392	22%	0.22	S	C	.	.	S	Bend	trans	-104.4	8.5	167.9	61.1	0	0	0	0	114.4	V213 N451	V213-S232 VanDerWaalsContact CG2-CB 3.49Å; V213-S232 WeakPolarHBondContact CG2-OG 3.06Å; S232-N451 WeakPolarHBondContact CA-ND2 3.48Å
233	F	76.6	Confident	72.3	Confident	24 Å²	24	41.3 Å²	41.3	11%	0.105	21%	0.208	C	C	.	.	S	Bend	trans	-83.5	-54.9	-169.3	-166.5	-99.2	0	0	0	113.5	W187 L211 S231 L273 L276 A277	W187-F233 HydrophobicContact CE3-CZ 4.5Å; W187-F233 HydrophobicContact CZ3-CE2 4.29Å; W187-F233 AromaticContact CZ3-CZ 3.92Å; W187-F233 HydrophobicContact CZ3-CZ 3.92Å; L211-F233 HydrophobicContact CD2-CB 3.83Å; L211-F233 HydrophobicContact CD2-CD1 3.91Å; L211-F233 HydrophobicContact CD2-CD2 4.15Å; L211-F233 HydrophobicContact CD2-CG 3.69Å; S231-F233 WeakPolarHBondContact OG-CB 3.07Å; S231-F233 PolarHBondContact OG-N 3.01Å; F233-L273 HydrophobicContact CE1-CD2 4.29Å; F233-L273 WeakPolarHBondContact CE1-O 3.48Å; F233-L273 HydrophobicContact CZ-CB 3.91Å; F233-L273 HydrophobicContact CZ-CD2 4Å; F233-L273 VanDerWaalsContact CZ-O 3.23Å; F233-L273 WeakPolarHBondContact CZ-O 3.49Å; F233-L276 HydrophobicContact CD1-CB 4.12Å; F233-L276 HydrophobicContact CE1-CB 3.64Å; F233-A277 HydrophobicContact CD1-CB 4.44Å; F233-A277 HydrophobicContact CE1-CB 3.66Å; F233-A277 HydrophobicContact CE2-CB 4.47Å; F233-A277 HydrophobicContact CZ-CB 3.68Å
234	A	87.1	Confident	74.4	Confident	0 Å²	0	38.9 Å²	38.9	0%	0	19%	0.193	C	C	.	.			trans	-151.6	159.9	-179.9	0	0	0	0	0	110.5	A236 T237 R238 L276	A234-A236 VanDerWaalsContact C-N 3.26Å; A234-A236 PolarHBondContact O-N 3.08Å; A234-T237 PolarHBondContact O-N 3.26Å; A234-T237 PolarHBondContact O-OG1 3.37Å; A234-R238 PolarHBondContact O-N 3.17Å; A234-L276 WeakPolarHBondContact CB-O 3.48Å
235	P	90.5	Very high	76.5	Confident	0 Å²	0	31 Å²	31	0%	0	16%	0.156	C	C	.	.	G	3₁₀ helix	trans	-58.6	-39.3	177	-24.2	36.7	0	0	0	112.2	T237 R238 A397 I398 G450 P453	P235-T237 PolarHBondContact O-N 3.49Å; P235-R238 WeakPolarHBondContact O-CB 3.36Å; P235-R238 PolarHBondContact O-N 3.06Å; P235-R238 VanDerWaalsContact O-N 3.08Å; P235-A397 CarbonylContact C-O 3.54Å; P235-A397 VanDerWaalsContact C-O 3.25Å; P235-I398 HydrophobicContact CB-CG1 4.49Å; P235-G450 VanDerWaalsContact CD-O 3.31Å; P235-G450 WeakPolarHBondContact CD-O 3.35Å; P235-P453 HydrophobicContact CB-CG 4.19Å
236	A	92.5	Very high	78.3	Confident	0 Å²	0	28.9 Å²	28.9	0%	0	14%	0.142	C	C	.	.	G	3₁₀ helix	trans	-59.6	-34.4	-179.2	0	0	0	0	0	113	A234 P280 I284 A397 I399	A234-A236 VanDerWaalsContact C-N 3.26Å; A234-A236 PolarHBondContact O-N 3.08Å; A236-P280 HydrophobicContact CB-CB 3.83Å; A236-P280 HydrophobicContact CB-CG 4.17Å; A236-I284 HydrophobicContact CB-CD1 4.12Å; A236-I284 HydrophobicContact CB-CG1 4.45Å; A236-A397 WeakPolarHBondContact CA-O 3.29Å; A236-A397 PolarHBondContact N-O 2.96Å; A236-I399 HydrophobicContact CB-CD1 4.15Å; A236-I399 WeakPolarHBondContact O-CB 3.24Å; A236-I399 PolarHBondContact O-N 2.63Å
237	T	90.3	Very high	80	Confident	1 Å²	1	22.2 Å²	22.2	1%	0.006	11%	0.113	C	C	.	.	G	3₁₀ helix	trans	-99.7	8.9	-178.9	62.2	0	0	0	0	112.7	L211 S231 A234 P235 C239 S240 L248 L276	L211-T237 HydrophobicContact CD1-CG2 3.82Å; S231-T237 WeakPolarHBondContact CB-O 3.33Å; S231-T237 PolarHBondContact OG-OG1 2.79Å; A234-T237 PolarHBondContact O-N 3.26Å; A234-T237 PolarHBondContact O-OG1 3.37Å; P235-T237 PolarHBondContact O-N 3.49Å; T237-C239 VanDerWaalsContact C-N 3.26Å; T237-C239 PolarHBondContact O-N 3.49Å; T237-S240 VanDerWaalsContact O-CB 3.32Å; T237-S240 WeakPolarHBondContact O-CB 3.47Å; T237-S240 PolarHBondContact O-N 3.34Å; T237-L248 HydrophobicContact CG2-CD1 4.24Å; T237-L276 HydrophobicContact CG2-CD1 4.19Å; T237-L276 HydrophobicContact CG2-CD2 4.1Å
238	R	88.4	Confident	81.5	Confident	17 Å²	17	21.6 Å²	21.6	6%	0.064	11%	0.109	C	C	.	.	T	Hydrogen-bonded Turn	trans	-56.5	-39.9	-175.4	177.8	56.7	-173.8	157.8	-2	112.4	K230 S231 A234 P235 S240 I398 N451 V461 D462	K230-R238 VanDerWaalsContact CA-O 3.26Å; K230-R238 WeakPolarHBondContact CA-O 3.38Å; K230-R238 VanDerWaalsContact CB-NH1 3.31Å; S231-R238 PolarHBondContact N-O 2.04Å; S231-R238 WeakPolarHBondContact O-CD 3.46Å; S231-R238 PolarHBondContact O-NH1 3.17Å; A234-R238 PolarHBondContact O-N 3.17Å; P235-R238 WeakPolarHBondContact O-CB 3.36Å; P235-R238 PolarHBondContact O-N 3.06Å; P235-R238 VanDerWaalsContact O-N 3.08Å; R238-S240 PolarHBondContact O-N 3.06Å; R238-I398 HydrophobicContact CB-CG2 4.39Å; R238-N451 PolarHBondContact NH1-ND2 3.35Å; R238-V461 HydrophobicContact CB-CG1 4.44Å; R238-V461 HydrophobicContact CG-CG1 3.5Å; R238-D462 IonicContact CZ-OD1 2.85Å; R238-D462 IonicContact NE-OD1 3.6Å; R238-D462 PolarHBondContact NE-OD1 2.92Å; R238-D462 IonicContact NH2-OD1 3.31Å; R238-D462 PolarHBondContact NH2-OD1 3.05Å; R238-D462 IonicContact NH2-OD2 2.66Å
239	C	88.9	Confident	82.6	Confident	0 Å²	0	22.1 Å²	22.1	0%	0	11%	0.11	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.2	57.8	176	-44.4	0	0	0	0	110.6	V228 T237 I399 V400 C465	V228-C239 HydrophobicContact CG1-CB 4.03Å; T237-C239 VanDerWaalsContact C-N 3.26Å; T237-C239 PolarHBondContact O-N 3.49Å; C239-I399 WeakPolarHBondContact CB-O 3.06Å; C239-V400 HydrophobicContact CB-CG2 4.04Å; C239-C465 VanDerWaalsContact CA-SG 3.52Å; C239-C465 HydrophobicContact CB-CB 3.62Å; C239-C465 WeakPolarHBondContact CB-SG 3.1Å; C239-C465 WeakPolarHBondContact SG-CA 3.36Å; C239-C465 WeakPolarHBondContact SG-CB 3.33Å; C239-C465 CovalentContact SG-SG 2.03Å; C239-C465 PolarHBondContact SG-SG 3.1Å
240	S	83.9	Confident	83.6	Confident	2 Å²	2	26.3 Å²	26.3	1%	0.014	13%	0.127	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.5	134.1	-171.7	-167	0	0	0	0	112.7	V228 V229 T237 R238	V228-S240 CarbonylContact C-O 3.25Å; V228-S240 WeakPolarHBondContact CA-O 3.41Å; V229-S240 PolarHBondContact N-O 3.11Å; V229-S240 WeakPolarHBondContact O-CB 3.33Å; V229-S240 PolarHBondContact O-N 3.03Å; T237-S240 VanDerWaalsContact O-CB 3.32Å; T237-S240 WeakPolarHBondContact O-CB 3.47Å; T237-S240 PolarHBondContact O-N 3.34Å; R238-S240 PolarHBondContact O-N 3.06Å
241	S	83.1	Confident	84.6	Confident	0 Å²	0	24.2 Å²	24.2	0%	0	12%	0.116	C	C	.	.			trans	-127.4	160.4	165.8	66.7	0	0	0	0	109.2	R243 L244 F245 D401	S241-R243 VanDerWaalsContact C-N 3.26Å; S241-R243 PolarHBondContact O-N 2.79Å; S241-L244 PolarHBondContact O-N 3.42Å; S241-L244 VanDerWaalsContact OG-CB 3.24Å; S241-L244 WeakPolarHBondContact OG-CB 3.34Å; S241-L244 PolarHBondContact OG-N 2.91Å; S241-F245 PolarHBondContact O-N 3.5Å; S241-D401 WeakPolarHBondContact OG-CB 3.29Å; S241-D401 PolarHBondContact OG-OD2 3.34Å
242	D	79.7	Confident	85.7	Confident	86 Å²	86	24.4 Å²	24.4	46%	0.46	12%	0.117	S	C	.	.	H	α-helix	trans	-56.7	-44.6	174.5	-63	-65.7	0	0	0	110.9	R208 L244 F245 E246	R208-D242 WeakPolarHBondContact CB-OD1 3.41Å; R208-D242 VanDerWaalsContact CD-CG 3.41Å; R208-D242 WeakPolarHBondContact CD-OD1 3.2Å; R208-D242 VanDerWaalsContact CD-OD2 3.29Å; R208-D242 WeakPolarHBondContact CD-OD2 3.08Å; R208-D242 IonicContact CZ-OD2 3.52Å; R208-D242 IonicContact NE-OD2 2.7Å; R208-D242 IonicContact NH1-OD2 3.53Å; R208-D242 PolarHBondContact NH1-OD2 2.83Å; D242-L244 PolarHBondContact O-N 3.24Å; D242-F245 PolarHBondContact O-N 2.96Å; D242-E246 WeakPolarHBondContact O-CB 3.44Å; D242-E246 PolarHBondContact O-N 3.35Å
243	R	85.4	Confident	86.7	Confident	37 Å²	37	26.8 Å²	26.8	14%	0.14	13%	0.125	C	C	.	.	H	α-helix	trans	-62.1	-42.5	176.7	169.7	-179.1	-177.7	-94.8	-10.1	112.6	S241 H247 S363 H365 G366 Y367 D401	S241-R243 VanDerWaalsContact C-N 3.26Å; S241-R243 PolarHBondContact O-N 2.79Å; R243-H247 VanDerWaalsContact O-CB 3.29Å; R243-H247 WeakPolarHBondContact O-CB 3.26Å; R243-H247 PolarHBondContact O-N 3.19Å; R243-H247 VanDerWaalsContact O-N 3.09Å; R243-S363 PolarHBondContact NH2-O 2.04Å; R243-H365 PolarHBondContact NH2-O 3.24Å; R243-G366 PolarHBondContact NH1-O 2.9Å; R243-G366 VanDerWaalsContact NH1-O 3.07Å; R243-Y367 WeakPolarHBondContact CG-OH 3.43Å; R243-Y367 VanDerWaalsContact CZ-CZ 3.43Å; R243-Y367 PolarHBondContact O-OH 2.85Å; R243-Y367 VanDerWaalsContact O-OH 3.07Å; R243-D401 WeakPolarHBondContact CB-OD2 3.24Å; R243-D401 WeakPolarHBondContact CD-OD2 3.12Å; R243-D401 WeakPolarHBondContact CG-OD2 3.43Å; R243-D401 IonicContact CZ-OD1 3.86Å; R243-D401 IonicContact NH1-OD1 3.12Å; R243-D401 PolarHBondContact NH1-OD1 2.89Å; R243-D401 IonicContact NH1-OD2 3.59Å
244	L	88.3	Confident	87.3	Confident	0 Å²	0	26 Å²	26	0%	0	12%	0.122	C	C	.	.	H	α-helix	trans	-62.2	-48.9	175.8	173.1	58.5	0	0	0	110.4	S241 D242 H247 L248 F288 Y367 I399 D401	S241-L244 PolarHBondContact O-N 3.42Å; S241-L244 VanDerWaalsContact OG-CB 3.24Å; S241-L244 WeakPolarHBondContact OG-CB 3.34Å; S241-L244 PolarHBondContact OG-N 2.91Å; D242-L244 PolarHBondContact O-N 3.24Å; L244-H247 WeakPolarHBondContact O-CB 3.07Å; L244-H247 PolarHBondContact O-N 2.79Å; L244-L248 HydrophobicContact CD1-CD1 4.13Å; L244-L248 HydrophobicContact CD1-CD2 4.31Å; L244-L248 HydrophobicContact CD1-CG 4Å; L244-L248 HydrophobicContact CG-CD1 4.21Å; L244-L248 HydrophobicContact CG-CG 4.44Å; L244-L248 WeakPolarHBondContact O-CG 3.26Å; L244-L248 PolarHBondContact O-N 3.47Å; L244-F288 HydrophobicContact CD1-CZ 4.42Å; L244-Y367 HydrophobicContact CB-CE1 4.09Å; L244-Y367 HydrophobicContact CD1-CD1 4.17Å; L244-Y367 HydrophobicContact CD1-CE1 3.79Å; L244-I399 HydrophobicContact CD1-CB 4.09Å; L244-I399 HydrophobicContact CD1-CD1 4.26Å; L244-I399 HydrophobicContact CD1-CG2 3.47Å; L244-I399 VanDerWaalsContact CD1-CG2 3.47Å; L244-I399 HydrophobicContact CD2-CB 4.08Å; L244-I399 HydrophobicContact CD2-CG2 4.14Å; L244-I399 HydrophobicContact CG-CG2 4.48Å; L244-D401 HydrophobicContact CB-CB 4.39Å
245	F	84.2	Confident	87	Confident	5 Å²	5	29.1 Å²	29.1	2%	0.022	13%	0.133	C	C	.	.	H	α-helix	trans	-65.8	-44.5	-175.4	-173.5	-99.7	0	0	0	112.3	L206 L211 S241 D242 H247 L248 Q249 F272	L206-F245 HydrophobicContact CB-CE1 3.41Å; L206-F245 VanDerWaalsContact CB-CE1 3.41Å; L206-F245 HydrophobicContact CB-CZ 3.59Å; L206-F245 HydrophobicContact CD1-CE1 4.39Å; L206-F245 HydrophobicContact CD1-CZ 3.83Å; L206-F245 HydrophobicContact CG-CE1 4.48Å; L206-F245 HydrophobicContact CG-CZ 4.25Å; L206-F245 VanDerWaalsContact O-CE1 3.25Å; L206-F245 WeakPolarHBondContact O-CE1 3.4Å; L211-F245 HydrophobicContact CD1-CD2 3.18Å; L211-F245 HydrophobicContact CD1-CE2 3.35Å; L211-F245 HydrophobicContact CD1-CG 4.24Å; L211-F245 HydrophobicContact CD2-CE2 4.39Å; L211-F245 HydrophobicContact CG-CD2 4.02Å; L211-F245 HydrophobicContact CG-CE2 3.78Å; S241-F245 PolarHBondContact O-N 3.5Å; D242-F245 PolarHBondContact O-N 2.96Å; F245-H247 VanDerWaalsContact C-N 3.28Å; F245-H247 PolarHBondContact O-N 3.17Å; F245-L248 PolarHBondContact O-N 3.25Å; F245-Q249 WeakPolarHBondContact O-CB 3.24Å; F245-Q249 PolarHBondContact O-N 3.18Å; F245-F272 HydrophobicContact CD2-CE1 4.49Å; F245-F272 AromaticContact CE2-CE1 3.66Å; F245-F272 HydrophobicContact CE2-CE1 3.66Å; F245-F272 HydrophobicContact CE2-CZ 4.27Å; F245-F272 AromaticContact CZ-CE1 3.87Å; F245-F272 HydrophobicContact CZ-CE1 3.87Å
246	E	82.6	Confident	86.2	Confident	87 Å²	87	31.8 Å²	31.8	41%	0.407	15%	0.15	S	C	.	.	H	α-helix	trans	-56	-43.5	173.1	-172.3	-170.2	167.6	0	0	111.2	D242 Q249 K250 H361	D242-E246 WeakPolarHBondContact O-CB 3.44Å; D242-E246 PolarHBondContact O-N 3.35Å; E246-Q249 PolarHBondContact O-N 3.33Å; E246-K250 WeakPolarHBondContact O-CB 3.49Å; E246-K250 PolarHBondContact O-N 3.22Å; E246-H361 IonicContact OE2-ND1 2.67Å
247	H	88.7	Confident	84.6	Confident	7 Å²	7	32.5 Å²	32.5	3%	0.032	16%	0.155	C	C	.	.	H	α-helix	trans	-63	-46.2	178.2	-176	84.9	0	0	0	112.5	R243 L244 F245 K250 R251 S287 F288 Y367	R243-H247 VanDerWaalsContact O-CB 3.29Å; R243-H247 WeakPolarHBondContact O-CB 3.26Å; R243-H247 PolarHBondContact O-N 3.19Å; R243-H247 VanDerWaalsContact O-N 3.09Å; L244-H247 WeakPolarHBondContact O-CB 3.07Å; L244-H247 PolarHBondContact O-N 2.79Å; F245-H247 VanDerWaalsContact C-N 3.28Å; F245-H247 PolarHBondContact O-N 3.17Å; H247-K250 PolarHBondContact O-N 2.92Å; H247-R251 PolarHBondContact CE1-NE 3.46Å; H247-R251 PolarHBondContact CE1-NH1 3.36Å; H247-R251 WeakPolarHBondContact O-CB 3.3Å; H247-R251 WeakPolarHBondContact O-CG 3.39Å; H247-R251 PolarHBondContact O-N 2.69Å; H247-R251 VanDerWaalsContact O-N 3.16Å; H247-S287 PolarHBondContact NE2-O 3.2Å; H247-F288 AromaticContact CD2-CE1 3.96Å; H247-F288 AromaticContact CD2-CZ 3.83Å; H247-F288 AromaticContact NE2-CE1 3.64Å; H247-F288 AromaticContact NE2-CZ 3.97Å; H247-Y367 VanDerWaalsContact CB-OH 3.25Å; H247-Y367 WeakPolarHBondContact CB-OH 3.07Å
248	L	90.4	Very high	83	Confident	0 Å²	0	40.3 Å²	40.3	0%	0	19%	0.189	C	C	.	.	H	α-helix	trans	-62.9	-47	177.6	-65.3	-179.7	0	0	0	111.7	T237 L244 F245 R251 F252 F272 L276 V283 S287 F288 I399	T237-L248 HydrophobicContact CG2-CD1 4.24Å; L244-L248 HydrophobicContact CD1-CD1 4.13Å; L244-L248 HydrophobicContact CD1-CD2 4.31Å; L244-L248 HydrophobicContact CD1-CG 4Å; L244-L248 HydrophobicContact CG-CD1 4.21Å; L244-L248 HydrophobicContact CG-CG 4.44Å; L244-L248 WeakPolarHBondContact O-CG 3.26Å; L244-L248 PolarHBondContact O-N 3.47Å; F245-L248 PolarHBondContact O-N 3.25Å; L248-R251 PolarHBondContact O-N 3.26Å; L248-F252 PolarHBondContact O-N 3.37Å; L248-F272 HydrophobicContact CB-CE2 4.08Å; L248-F272 HydrophobicContact CB-CZ 3.83Å; L248-L276 HydrophobicContact CD1-CD2 4.39Å; L248-V283 HydrophobicContact CB-CG1 4.35Å; L248-V283 HydrophobicContact CD2-CG1 4.25Å; L248-S287 WeakPolarHBondContact CD2-OG 3.13Å; L248-F288 HydrophobicContact CD2-CE2 3.9Å; L248-I399 HydrophobicContact CD1-CD1 4.36Å; L248-I399 HydrophobicContact CD2-CD1 4.03Å
249	Q	86.1	Confident	81	Confident	33 Å²	33	42.9 Å²	42.9	15%	0.154	22%	0.22	C	C	.	.	H	α-helix	trans	-59.8	-48.1	177.7	159.7	177.1	-5.4	0	0	111.6	F245 E246 R251 F252 W264 F272	F245-Q249 WeakPolarHBondContact O-CB 3.24Å; F245-Q249 PolarHBondContact O-N 3.18Å; E246-Q249 PolarHBondContact O-N 3.33Å; Q249-R251 VanDerWaalsContact C-N 3.28Å; Q249-R251 PolarHBondContact O-N 2.99Å; Q249-F252 PolarHBondContact O-N 2.96Å; Q249-W264 HydrophobicContact CB-CH2 3.57Å; Q249-W264 HydrophobicContact CB-CZ2 4.08Å; Q249-W264 HydrophobicContact CB-CZ3 4.2Å; Q249-W264 VanDerWaalsContact CD-CE3 3.43Å; Q249-W264 HydrophobicContact CG-CD2 4.31Å; Q249-W264 HydrophobicContact CG-CE3 4.03Å; Q249-W264 HydrophobicContact CG-CH2 3.16Å; Q249-W264 HydrophobicContact CG-CZ2 3.56Å; Q249-W264 HydrophobicContact CG-CZ3 3.44Å; Q249-W264 VanDerWaalsContact CG-CZ3 3.44Å; Q249-F272 HydrophobicContact CB-CZ 4.42Å
250	K	85.1	Confident	78.7	Confident	112 Å²	112	48.2 Å²	48.2	49%	0.487	26%	0.264	S	S	.	.	H	α-helix	trans	-64.7	-33	-176.2	-177.3	175.3	-171.2	164.5	0	112.5	E246 H247 N362	E246-K250 WeakPolarHBondContact O-CB 3.49Å; E246-K250 PolarHBondContact O-N 3.22Å; H247-K250 PolarHBondContact O-N 2.92Å; K250-N362 WeakPolarHBondContact CE-OD1 3.38Å; K250-N362 PolarHBondContact NZ-OD1 2.8Å
251	R	90.2	Very high	77.1	Confident	42 Å²	42	54 Å²	54	16%	0.158	29%	0.291	C	S	.	.	H	α-helix	trans	-93	-2.9	-177.8	-68.7	-170.1	170.9	-165.4	-8.9	114.4	H247 L248 Q249 L253 S287 E292	H247-R251 PolarHBondContact CE1-NE 3.46Å; H247-R251 PolarHBondContact CE1-NH1 3.36Å; H247-R251 WeakPolarHBondContact O-CB 3.3Å; H247-R251 WeakPolarHBondContact O-CG 3.39Å; H247-R251 PolarHBondContact O-N 2.69Å; H247-R251 VanDerWaalsContact O-N 3.16Å; L248-R251 PolarHBondContact O-N 3.26Å; Q249-R251 VanDerWaalsContact C-N 3.28Å; Q249-R251 PolarHBondContact O-N 2.99Å; R251-L253 PolarHBondContact O-N 2.85Å; R251-S287 WeakPolarHBondContact CD-O 3.16Å; R251-S287 PolarHBondContact NH1-O 2.82Å; R251-E292 IonicContact CZ-OE1 3.97Å; R251-E292 IonicContact CZ-OE2 2.76Å; R251-E292 IonicContact NH1-OE1 3.53Å; R251-E292 PolarHBondContact NH1-OE1 2.82Å; R251-E292 IonicContact NH1-OE2 3.74Å; R251-E292 PolarHBondContact NH1-OE2 2.64Å; R251-E292 IonicContact NH2-OE1 2.72Å; R251-E292 PolarHBondContact NH2-OE1 3.5Å; R251-E292 IonicContact NH2-OE2 3.3Å; R251-E292 PolarHBondContact NH2-OE2 3.06Å
252	F	90.3	Very high	75.8	Confident	3 Å²	3	60.7 Å²	60.7	1%	0.013	33%	0.333	C	S	.	.			trans	-69.7	115.5	174.2	-169.1	-111.7	0	0	0	110.7	L248 Q249 E254 R255 M271 F272 N275 V283	L248-F252 PolarHBondContact O-N 3.37Å; Q249-F252 PolarHBondContact O-N 2.96Å; F252-E254 HydrophobicContact CE1-CB 3.93Å; F252-E254 HydrophobicContact CZ-CB 3.87Å; F252-R255 HydrophobicContact CD1-CG 4.37Å; F252-R255 WeakPolarHBondContact O-CD 3.18Å; F252-R255 WeakPolarHBondContact O-CG 3.33Å; F252-M271 HydrophobicContact CE1-CE 4.25Å; F252-M271 HydrophobicContact CE1-CG 4.5Å; F252-M271 HydrophobicContact CZ-CG 4.27Å; F252-F272 HydrophobicContact CB-CD2 3.92Å; F252-F272 HydrophobicContact CB-CE2 4.31Å; F252-F272 HydrophobicContact CD1-CB 3.99Å; F252-F272 HydrophobicContact CD1-CD2 4.16Å; F252-F272 AromaticContact CD2-CD2 3.8Å; F252-F272 HydrophobicContact CD2-CD2 3.8Å; F252-F272 HydrophobicContact CE1-CB 3.98Å; F252-F272 HydrophobicContact CE2-CD2 4.34Å; F252-F272 HydrophobicContact CG-CB 4.39Å; F252-F272 AromaticContact CG-CD2 3.69Å; F252-F272 HydrophobicContact CG-CD2 3.69Å; F252-F272 HydrophobicContact CG-CE2 4.48Å; F252-F272 HydrophobicContact CG-CG 4.47Å; F252-F272 HydrophobicContact CZ-CB 4.38Å; F252-N275 HydrophobicContact CE2-CB 4.44Å; F252-V283 HydrophobicContact CD2-CG2 4.17Å; F252-V283 HydrophobicContact CE2-CG2 4.08Å
253	L	89.2	Confident	75.2	Confident	107 Å²	107	62.1 Å²	62.1	56%	0.56	33%	0.332	S	S	*	.			trans	-88.5	-23.1	-169.2	-59.7	179	0	0	0	114	R251 R255 Q286 Y299	R251-L253 PolarHBondContact O-N 2.85Å; L253-R255 PolarHBondContact O-N 3.42Å; L253-Q286 VanDerWaalsContact CB-OE1 3.3Å; L253-Q286 HydrophobicContact CD1-CG 4.2Å; L253-Q286 HydrophobicContact CG-CG 4.3Å; L253-Y299 HydrophobicContact CD1-CD1 4.19Å
254	E	89.3	Confident	74.6	Confident	8 Å²	8	62.1 Å²	62.1	4%	0.037	33%	0.331	C	S	.	.			trans	-76.8	28.1	-172.9	-66.3	-65.5	163.7	0	0	113.4	G89 Q90 S91 F252 M271 Y299 S302	G89-E254 WeakPolarHBondContact CA-OE2 3.47Å; Q90-E254 PolarHBondContact N-OE2 3.02Å; S91-E254 WeakPolarHBondContact CB-OE1 3.17Å; S91-E254 VanDerWaalsContact CB-OE2 3.28Å; S91-E254 WeakPolarHBondContact CB-OE2 3.3Å; S91-E254 PolarHBondContact N-OE2 2.81Å; S91-E254 VanDerWaalsContact OG-CD 3.28Å; S91-E254 PolarHBondContact OG-OE1 2.99Å; S91-E254 PolarHBondContact OG-OE2 3.08Å; F252-E254 HydrophobicContact CE1-CB 3.93Å; F252-E254 HydrophobicContact CZ-CB 3.87Å; E254-M271 HydrophobicContact CB-CE 3.88Å; E254-M271 WeakPolarHBondContact O-CE 3.23Å; E254-Y299 HydrophobicContact CG-CE1 4.42Å; E254-Y299 VanDerWaalsContact CG-OH 3.3Å; E254-Y299 WeakPolarHBondContact CG-OH 3.4Å; E254-Y299 PolarHBondContact OE1-OH 2.92Å; E254-S302 WeakPolarHBondContact CG-OG 3.33Å; E254-S302 PolarHBondContact OE1-N 3.1Å; E254-S302 PolarHBondContact OE1-OG 3.26Å; E254-S302 PolarHBondContact OE2-OG 3.23Å
255	R	81	Confident	74.2	Confident	64 Å²	64	65.2 Å²	65.2	24%	0.242	35%	0.348	C	S	.	.			trans	-74.5	142.7	-178.2	-64.3	175.7	61	-175	-3	111	F252 L253 R263 D268	F252-R255 HydrophobicContact CD1-CG 4.37Å; F252-R255 WeakPolarHBondContact O-CD 3.18Å; F252-R255 WeakPolarHBondContact O-CG 3.33Å; L253-R255 PolarHBondContact O-N 3.42Å; R255-R263 PolarHBondContact NH2-O 2.97Å; R255-D268 HydrophobicContact CG-CB 4.48Å; R255-D268 IonicContact NE-OD2 3.31Å
256	T	73.4	Confident	74	Confident	57 Å²	57	69 Å²	69	35%	0.35	36%	0.362	S	S	.	.	S	Bend	trans	-72.6	-31.6	175.4	50.7	0	0	0	0	112.2	F258 F267 D268	T256-F258 PolarHBondContact O-N 3.38Å; T256-F267 HydrophobicContact CG2-CD1 3.44Å; T256-F267 VanDerWaalsContact CG2-CD1 3.44Å; T256-F267 HydrophobicContact CG2-CE1 3.5Å; T256-F267 HydrophobicContact CG2-CG 4.48Å; T256-D268 WeakPolarHBondContact CB-OD1 3.45Å; T256-D268 PolarHBondContact N-OD1 3.3Å; T256-D268 PolarHBondContact OG1-OD1 2.78Å
257	S	59	Low	74	Confident	15 Å²	15	66.8 Å²	66.8	11%	0.105	35%	0.351	C	S	.	.			trans	-79.3	105.7	174	-66.9	0	0	0	0	111.2	E261	S257-E261 PolarHBondContact OG-OE2 3.35Å
258	F	56.1	Low	73.8	Confident	165 Å²	165	66.5 Å²	66.5	72%	0.724	35%	0.349	S	S	*	.			trans	-94.5	127.3	168.5	-75	-87.5	0	0	0	110.2	T256	T256-F258 PolarHBondContact O-N 3.38Å
259	G	47.4	Very low	73.4	Confident	70 Å²	70	67.6 Å²	67.6	72%	0.722	36%	0.355	S	S	*	.	S	Bend	trans	65.1	117.2	163.7	0	0	0	0	0	115.9	E261	G259-E261 VanDerWaalsContact C-N 3.28Å; G259-E261 PolarHBondContact O-N 2.73Å; G259-E261 VanDerWaalsContact O-N 3.13Å
260	A	39.5	Very low	73.3	Confident	112 Å²	112	66 Å²	66	93%	0.926	35%	0.347	S	S	*	.	S	Bend	trans	71.4	-21.9	175.8	0	0	0	0	0	118.5	T262	A260-T262 PolarHBondContact O-N 3.01Å
261	E	51.3	Low	73.5	Confident	123 Å²	123	60.8 Å²	60.8	58%	0.575	32%	0.324	S	S	*	.			trans	-82.4	102	169.9	-75	-178.4	179.4	0	0	110.9	S257 G259 R263	S257-E261 PolarHBondContact OG-OE2 3.35Å; G259-E261 VanDerWaalsContact C-N 3.28Å; G259-E261 PolarHBondContact O-N 2.73Å; G259-E261 VanDerWaalsContact O-N 3.13Å; E261-R263 PolarHBondContact O-N 3.25Å
262	T	55.8	Low	73.5	Confident	142 Å²	142	58.8 Å²	58.8	87%	0.871	32%	0.317	S	S	*	.			trans	-70.4	-10.1	173.6	51.3	0	0	0	0	112.9	A260	A260-T262 PolarHBondContact O-N 3.01Å
263	R	66.4	Low	73.3	Confident	116 Å²	116	58.8 Å²	58.8	44%	0.438	32%	0.317	S	S	.	.			trans	-73.3	137.3	-175.3	-167.6	172.9	179.7	139.8	0.7	111	E203 R255 E261	E203-R263 VanDerWaalsContact CG-NH2 3.35Å; E203-R263 IonicContact OE1-CZ 3.88Å; E203-R263 IonicContact OE1-NH1 3.66Å; E203-R263 PolarHBondContact OE1-NH1 3.34Å; E203-R263 IonicContact OE1-NH2 3.21Å; E203-R263 PolarHBondContact OE1-NH2 2.85Å; R255-R263 PolarHBondContact NH2-O 2.97Å; E261-R263 PolarHBondContact O-N 3.25Å
264	W	72.8	Confident	73.3	Confident	36 Å²	36	53.7 Å²	53.7	14%	0.136	29%	0.291	C	S	.	.			trans	-95.8	115.2	171.3	-152.2	14.7	0	0	0	108.6	L206 Q249 D268 F272	L206-W264 HydrophobicContact CB-CE3 4.43Å; L206-W264 HydrophobicContact CB-CH2 4.29Å; L206-W264 HydrophobicContact CB-CZ3 3.59Å; L206-W264 HydrophobicContact CD1-CE3 4Å; L206-W264 HydrophobicContact CD1-CH2 3.14Å; L206-W264 HydrophobicContact CD1-CZ2 4.02Å; L206-W264 HydrophobicContact CD1-CZ3 3.12Å; L206-W264 HydrophobicContact CG-CE3 4.21Å; L206-W264 HydrophobicContact CG-CH2 4.09Å; L206-W264 HydrophobicContact CG-CZ3 3.54Å; Q249-W264 HydrophobicContact CB-CH2 3.57Å; Q249-W264 HydrophobicContact CB-CZ2 4.08Å; Q249-W264 HydrophobicContact CB-CZ3 4.2Å; Q249-W264 VanDerWaalsContact CD-CE3 3.43Å; Q249-W264 HydrophobicContact CG-CD2 4.31Å; Q249-W264 HydrophobicContact CG-CE3 4.03Å; Q249-W264 HydrophobicContact CG-CH2 3.16Å; Q249-W264 HydrophobicContact CG-CZ2 3.56Å; Q249-W264 HydrophobicContact CG-CZ3 3.44Å; Q249-W264 VanDerWaalsContact CG-CZ3 3.44Å; W264-D268 VanDerWaalsContact CD1-CB 3.4Å; W264-F272 AromaticContact CH2-CD1 3.86Å; W264-F272 HydrophobicContact CH2-CD1 3.86Å; W264-F272 HydrophobicContact CH2-CE1 4.09Å; W264-F272 HydrophobicContact CZ2-CB 4.21Å; W264-F272 AromaticContact CZ2-CD1 3.83Å; W264-F272 HydrophobicContact CZ2-CD1 3.83Å; W264-F272 HydrophobicContact CZ2-CE1 4.39Å; W264-F272 HydrophobicContact CZ2-CG 4.08Å
265	L	80	Confident	73.5	Confident	65 Å²	65	53.3 Å²	53.3	34%	0.34	29%	0.289	S	S	.	.			trans	-78.4	150.1	-179.4	-63.7	176.8	0	0	0	110.1	F267 D268 E269	L265-F267 PolarHBondContact O-N 2.97Å; L265-F267 VanDerWaalsContact O-N 3.11Å; L265-D268 WeakPolarHBondContact O-CB 3.36Å; L265-D268 PolarHBondContact O-N 3.38Å; L265-E269 PolarHBondContact O-N 3.49Å; L265-E269 VanDerWaalsContact O-N 3.08Å
266	R	79.8	Confident	73.9	Confident	85 Å²	85	50.3 Å²	50.3	32%	0.321	28%	0.278	S	S	.	.	H	α-helix	trans	-54	-34.6	175.9	-176.4	56.2	174.3	-167.3	7	112.4	W187 E269 L270	W187-R266 PolarHBondContact O-NH2 3.46Å; R266-E269 WeakPolarHBondContact CD-OE2 3.08Å; R266-E269 IonicContact CZ-OE1 2.66Å; R266-E269 IonicContact CZ-OE2 2.73Å; R266-E269 IonicContact NE-OE2 3.56Å; R266-E269 IonicContact NH1-OE1 2.72Å; R266-E269 PolarHBondContact NH1-OE1 2.63Å; R266-E269 IonicContact NH1-OE2 3.53Å; R266-E269 PolarHBondContact NH1-OE2 2.94Å; R266-E269 PolarHBondContact O-N 3.46Å; R266-L270 HydrophobicContact CG-CD1 4.14Å; R266-L270 HydrophobicContact CG-CG 4.39Å; R266-L270 WeakPolarHBondContact O-CB 3.24Å; R266-L270 VanDerWaalsContact O-CG 3.24Å; R266-L270 WeakPolarHBondContact O-CG 3.44Å; R266-L270 PolarHBondContact O-N 3.36Å
267	F	82.6	Confident	74.6	Confident	41 Å²	41	47.6 Å²	47.6	18%	0.18	26%	0.261	C	S	.	.	H	α-helix	trans	-61.2	-46	175.5	-176.9	-87.4	0	0	0	112.3	C84 P85 W185 T256 L265 L270 M271	C84-F267 HydrophobicContact CB-CE2 4.26Å; C84-F267 HydrophobicContact CB-CZ 3.86Å; P85-F267 HydrophobicContact CB-CD2 3.84Å; P85-F267 HydrophobicContact CB-CE2 3.77Å; P85-F267 HydrophobicContact CB-CG 4.33Å; P85-F267 HydrophobicContact CB-CZ 4.19Å; P85-F267 HydrophobicContact CG-CD2 4.2Å; P85-F267 HydrophobicContact CG-CE2 4.29Å; W185-F267 HydrophobicContact CH2-CB 4.23Å; W185-F267 AromaticContact CH2-CD2 3.57Å; W185-F267 HydrophobicContact CH2-CD2 3.57Å; W185-F267 HydrophobicContact CH2-CE2 4.48Å; W185-F267 HydrophobicContact CH2-CG 4.38Å; W185-F267 AromaticContact CZ2-CD2 3.84Å; W185-F267 HydrophobicContact CZ2-CD2 3.84Å; W185-F267 HydrophobicContact CZ2-CE2 4.34Å; T256-F267 HydrophobicContact CG2-CD1 3.44Å; T256-F267 VanDerWaalsContact CG2-CD1 3.44Å; T256-F267 HydrophobicContact CG2-CE1 3.5Å; T256-F267 HydrophobicContact CG2-CG 4.48Å; L265-F267 PolarHBondContact O-N 2.97Å; L265-F267 VanDerWaalsContact O-N 3.11Å; F267-L270 PolarHBondContact O-N 3.41Å; F267-M271 HydrophobicContact CE1-CE 4.15Å; F267-M271 HydrophobicContact CE1-SD 4.37Å; F267-M271 WeakPolarHBondContact O-CB 3.37Å; F267-M271 PolarHBondContact O-N 3.45Å
268	D	84.6	Confident	76	Confident	0 Å²	0	46.9 Å²	46.9	0%	0	26%	0.256	C	S	.	.	H	α-helix	trans	-65.4	-42.3	179	-64.6	-15.6	0	0	0	111.2	R255 T256 W264 L265 M271 F272	R255-D268 HydrophobicContact CG-CB 4.48Å; R255-D268 IonicContact NE-OD2 3.31Å; T256-D268 WeakPolarHBondContact CB-OD1 3.45Å; T256-D268 PolarHBondContact N-OD1 3.3Å; T256-D268 PolarHBondContact OG1-OD1 2.78Å; W264-D268 VanDerWaalsContact CD1-CB 3.4Å; L265-D268 WeakPolarHBondContact O-CB 3.36Å; L265-D268 PolarHBondContact O-N 3.38Å; D268-M271 PolarHBondContact O-N 3.1Å; D268-F272 WeakPolarHBondContact O-CB 3.3Å; D268-F272 PolarHBondContact O-N 2.89Å
269	E	81	Confident	77.7	Confident	24 Å²	24	39.2 Å²	39.2	11%	0.112	22%	0.222	C	C	.	.	H	α-helix	trans	-57.9	-51.2	175.1	162.8	-179.1	-176.1	0	0	111.2	L206 L265 R266 M271 F272 L273	L206-E269 HydrophobicContact CD1-CB 4.15Å; L206-E269 HydrophobicContact CD1-CG 3.56Å; L206-E269 HydrophobicContact CD2-CG 4.07Å; L206-E269 WeakPolarHBondContact CD2-OE1 3.49Å; L206-E269 HydrophobicContact CG-CG 4.03Å; L265-E269 PolarHBondContact O-N 3.49Å; L265-E269 VanDerWaalsContact O-N 3.08Å; R266-E269 WeakPolarHBondContact CD-OE2 3.08Å; R266-E269 IonicContact CZ-OE1 2.66Å; R266-E269 IonicContact CZ-OE2 2.73Å; R266-E269 IonicContact NE-OE2 3.56Å; R266-E269 IonicContact NH1-OE1 2.72Å; R266-E269 PolarHBondContact NH1-OE1 2.63Å; R266-E269 IonicContact NH1-OE2 3.53Å; R266-E269 PolarHBondContact NH1-OE2 2.94Å; R266-E269 PolarHBondContact O-N 3.46Å; E269-M271 VanDerWaalsContact C-N 3.28Å; E269-M271 PolarHBondContact O-N 2.96Å; E269-F272 PolarHBondContact O-N 2.7Å; E269-L273 HydrophobicContact CG-CD1 3.91Å; E269-L273 HydrophobicContact CG-CG 4.43Å; E269-L273 WeakPolarHBondContact O-CB 3.48Å; E269-L273 WeakPolarHBondContact O-CG 3.44Å; E269-L273 PolarHBondContact O-N 3.26Å
270	L	85.1	Confident	79.8	Confident	0 Å²	0	35.9 Å²	35.9	0%	0	19%	0.188	C	C	.	.	H	α-helix	trans	-62.2	-39.7	-178.7	-73.5	175.2	0	0	0	111.6	P85 I184 W185 W187 R266 F267 F274	P85-L270 HydrophobicContact CB-CB 4.05Å; P85-L270 HydrophobicContact CG-CB 4.01Å; P85-L270 HydrophobicContact CG-CD1 4.12Å; I184-L270 HydrophobicContact CG1-CB 4.5Å; I184-L270 VanDerWaalsContact O-CD2 3.23Å; I184-L270 WeakPolarHBondContact O-CD2 3.35Å; W185-L270 HydrophobicContact CD2-CD1 3.96Å; W185-L270 HydrophobicContact CE3-CD1 3.45Å; W185-L270 VanDerWaalsContact CE3-CD1 3.45Å; W185-L270 HydrophobicContact CG-CD1 4.44Å; W185-L270 HydrophobicContact CZ3-CD1 4.04Å; W187-L270 HydrophobicContact CB-CD2 3.82Å; R266-L270 HydrophobicContact CG-CD1 4.14Å; R266-L270 HydrophobicContact CG-CG 4.39Å; R266-L270 WeakPolarHBondContact O-CB 3.24Å; R266-L270 VanDerWaalsContact O-CG 3.24Å; R266-L270 WeakPolarHBondContact O-CG 3.44Å; R266-L270 PolarHBondContact O-N 3.36Å; F267-L270 PolarHBondContact O-N 3.41Å; L270-F274 WeakPolarHBondContact O-CB 3.48Å; L270-F274 PolarHBondContact O-N 3.17Å
271	M	88.6	Confident	82.4	Confident	1 Å²	1	30.6 Å²	30.6	1%	0.005	14%	0.144	C	C	.	.	H	α-helix	trans	-67.4	-41.4	177	-170.7	161.6	58.5	0	0	112.1	P85 C87 F252 E254 F267 D268 E269 F274 N275	P85-M271 HydrophobicContact CB-CB 4.28Å; P85-M271 WeakPolarHBondContact O-CA 3.37Å; C87-M271 WeakPolarHBondContact O-CG 3.34Å; C87-M271 VanDerWaalsContact SG-SD 3.67Å; F252-M271 HydrophobicContact CE1-CE 4.25Å; F252-M271 HydrophobicContact CE1-CG 4.5Å; F252-M271 HydrophobicContact CZ-CG 4.27Å; E254-M271 HydrophobicContact CB-CE 3.88Å; E254-M271 WeakPolarHBondContact O-CE 3.23Å; F267-M271 HydrophobicContact CE1-CE 4.15Å; F267-M271 HydrophobicContact CE1-SD 4.37Å; F267-M271 WeakPolarHBondContact O-CB 3.37Å; F267-M271 PolarHBondContact O-N 3.45Å; D268-M271 PolarHBondContact O-N 3.1Å; E269-M271 VanDerWaalsContact C-N 3.28Å; E269-M271 PolarHBondContact O-N 2.96Å; M271-F274 PolarHBondContact O-N 3Å; M271-N275 PolarHBondContact O-N 3.39Å; M271-N275 PolarHBondContact O-ND2 3.22Å
272	F	89.5	Confident	84.4	Confident	0 Å²	0	25 Å²	25	0%	0	12%	0.118	C	C	.	.	H	α-helix	trans	-60.7	-50.5	174.5	171.8	-112.4	0	0	0	111.9	L206 F245 L248 Q249 F252 W264 D268 E269 F274 N275 L276 V283	L206-F272 HydrophobicContact CD1-CD1 4.37Å; F245-F272 HydrophobicContact CD2-CE1 4.49Å; F245-F272 AromaticContact CE2-CE1 3.66Å; F245-F272 HydrophobicContact CE2-CE1 3.66Å; F245-F272 HydrophobicContact CE2-CZ 4.27Å; F245-F272 AromaticContact CZ-CE1 3.87Å; F245-F272 HydrophobicContact CZ-CE1 3.87Å; L248-F272 HydrophobicContact CB-CE2 4.08Å; L248-F272 HydrophobicContact CB-CZ 3.83Å; Q249-F272 HydrophobicContact CB-CZ 4.42Å; F252-F272 HydrophobicContact CB-CD2 3.92Å; F252-F272 HydrophobicContact CB-CE2 4.31Å; F252-F272 HydrophobicContact CD1-CB 3.99Å; F252-F272 HydrophobicContact CD1-CD2 4.16Å; F252-F272 AromaticContact CD2-CD2 3.8Å; F252-F272 HydrophobicContact CD2-CD2 3.8Å; F252-F272 HydrophobicContact CE1-CB 3.98Å; F252-F272 HydrophobicContact CE2-CD2 4.34Å; F252-F272 HydrophobicContact CG-CB 4.39Å; F252-F272 AromaticContact CG-CD2 3.69Å; F252-F272 HydrophobicContact CG-CD2 3.69Å; F252-F272 HydrophobicContact CG-CE2 4.48Å; F252-F272 HydrophobicContact CG-CG 4.47Å; F252-F272 HydrophobicContact CZ-CB 4.38Å; W264-F272 AromaticContact CH2-CD1 3.86Å; W264-F272 HydrophobicContact CH2-CD1 3.86Å; W264-F272 HydrophobicContact CH2-CE1 4.09Å; W264-F272 HydrophobicContact CZ2-CB 4.21Å; W264-F272 AromaticContact CZ2-CD1 3.83Å; W264-F272 HydrophobicContact CZ2-CD1 3.83Å; W264-F272 HydrophobicContact CZ2-CE1 4.39Å; W264-F272 HydrophobicContact CZ2-CG 4.08Å; D268-F272 WeakPolarHBondContact O-CB 3.3Å; D268-F272 PolarHBondContact O-N 2.89Å; E269-F272 PolarHBondContact O-N 2.7Å; F272-F274 VanDerWaalsContact C-N 3.32Å; F272-F274 PolarHBondContact O-N 3.21Å; F272-N275 PolarHBondContact O-N 3.4Å; F272-L276 HydrophobicContact CD1-CD1 4.16Å; F272-L276 HydrophobicContact CE1-CD1 3.59Å; F272-L276 HydrophobicContact CE2-CD1 4.01Å; F272-L276 HydrophobicContact CE2-CG 4.26Å; F272-L276 HydrophobicContact CZ-CD1 3.51Å; F272-L276 HydrophobicContact CZ-CG 4.26Å; F272-L276 PolarHBondContact O-N 2.77Å; F272-V283 HydrophobicContact CD2-CG1 4.31Å; F272-V283 HydrophobicContact CD2-CG2 4.43Å; F272-V283 HydrophobicContact CE2-CG1 3.67Å
273	L	86.9	Confident	86.3	Confident	4 Å²	4	18.2 Å²	18.2	2%	0.021	8%	0.077	C	C	.	.	H	α-helix	trans	-61.6	-40.3	177.2	-70.1	178	0	0	0	111.7	W187 V210 L211 F233 E269 L276 A277	W187-L273 HydrophobicContact CE3-CB 4.42Å; V210-L273 HydrophobicContact CG1-CD1 4.42Å; V210-L273 HydrophobicContact CG1-CD2 4.28Å; L211-L273 HydrophobicContact CD2-CD2 4.29Å; F233-L273 HydrophobicContact CE1-CD2 4.29Å; F233-L273 WeakPolarHBondContact CE1-O 3.48Å; F233-L273 HydrophobicContact CZ-CB 3.91Å; F233-L273 HydrophobicContact CZ-CD2 4Å; F233-L273 VanDerWaalsContact CZ-O 3.23Å; F233-L273 WeakPolarHBondContact CZ-O 3.49Å; E269-L273 HydrophobicContact CG-CD1 3.91Å; E269-L273 HydrophobicContact CG-CG 4.43Å; E269-L273 WeakPolarHBondContact O-CB 3.48Å; E269-L273 WeakPolarHBondContact O-CG 3.44Å; E269-L273 PolarHBondContact O-N 3.26Å; L273-L276 PolarHBondContact O-N 3.44Å; L273-A277 WeakPolarHBondContact O-CB 3.4Å; L273-A277 PolarHBondContact O-N 3.28Å
274	F	89.9	Confident	87.7	Confident	0 Å²	0	12.7 Å²	12.7	0%	0	6%	0.056	C	C	.	.	H	α-helix	trans	-62.3	-46.3	176	171.9	-101.7	0	0	0	112.1	G86 C87 L143 V152 V156 I184 L270 M271 F272 L276 A277 I278	G86-F274 VanDerWaalsContact O-CE1 3.3Å; G86-F274 WeakPolarHBondContact O-CE1 3.17Å; G86-F274 VanDerWaalsContact O-CZ 3.26Å; G86-F274 WeakPolarHBondContact O-CZ 3.5Å; C87-F274 WeakPolarHBondContact O-CD1 3.36Å; L143-F274 HydrophobicContact CD2-CD1 3.88Å; L143-F274 HydrophobicContact CD2-CE1 3.05Å; L143-F274 HydrophobicContact CD2-CZ 3.59Å; V152-F274 HydrophobicContact CG1-CE2 4.35Å; V152-F274 HydrophobicContact CG1-CZ 4.14Å; V156-F274 HydrophobicContact CG2-CD2 3.88Å; V156-F274 HydrophobicContact CG2-CE2 3.39Å; I184-F274 HydrophobicContact CD1-CB 3.77Å; I184-F274 HydrophobicContact CD1-CD2 3.85Å; I184-F274 HydrophobicContact CD1-CG 3.9Å; L270-F274 WeakPolarHBondContact O-CB 3.48Å; L270-F274 PolarHBondContact O-N 3.17Å; M271-F274 PolarHBondContact O-N 3Å; F272-F274 VanDerWaalsContact C-N 3.32Å; F272-F274 PolarHBondContact O-N 3.21Å; F274-L276 PolarHBondContact O-N 2.95Å; F274-A277 PolarHBondContact O-N 3.3Å; F274-I278 HydrophobicContact CD2-CG1 3.62Å; F274-I278 HydrophobicContact CE2-CB 4.37Å; F274-I278 HydrophobicContact CE2-CD1 4.3Å; F274-I278 HydrophobicContact CE2-CG1 3.4Å; F274-I278 VanDerWaalsContact CE2-CG1 3.4Å; F274-I278 HydrophobicContact CG-CG1 4.32Å; F274-I278 HydrophobicContact CZ-CB 4.48Å; F274-I278 HydrophobicContact CZ-CG1 3.96Å; F274-I278 WeakPolarHBondContact O-CB 3.19Å; F274-I278 WeakPolarHBondContact O-CG1 3.49Å; F274-I278 PolarHBondContact O-N 3.44Å
275	N	92.3	Very high	88.8	Confident	0 Å²	0	11.1 Å²	11.1	0%	0	5%	0.05	C	C	.	.	H	α-helix	trans	-61.3	-46.4	176.3	-82.2	-93.9	0	0	0	111	C87 A88 F252 M271 F272 A277 D279 P280 S282 V283	C87-N275 PolarHBondContact O-ND2 3.23Å; A88-N275 WeakPolarHBondContact CA-OD1 3.5Å; A88-N275 PolarHBondContact O-ND2 3Å; F252-N275 HydrophobicContact CE2-CB 4.44Å; M271-N275 PolarHBondContact O-N 3.39Å; M271-N275 PolarHBondContact O-ND2 3.22Å; F272-N275 PolarHBondContact O-N 3.4Å; N275-A277 VanDerWaalsContact C-N 3.31Å; N275-A277 PolarHBondContact O-N 2.72Å; N275-D279 CarbonylContact O-C 3.58Å; N275-D279 PolarHBondContact O-N 2.68Å; N275-P280 WeakPolarHBondContact O-CA 3.33Å; N275-P280 VanDerWaalsContact O-N 3.17Å; N275-S282 PolarHBondContact OD1-OG 3.12Å; N275-V283 HydrophobicContact CB-CG2 3.61Å
276	L	90.6	Very high	89.5	Confident	1 Å²	1	8.5 Å²	8.5	1%	0.005	4%	0.036	C	C	.	.	H	α-helix	trans	-56.6	-43.1	176.1	-80.9	178.5	0	0	0	112.8	F233 A234 T237 L248 F272 L273 F274 P280 V283	F233-L276 HydrophobicContact CD1-CB 4.12Å; F233-L276 HydrophobicContact CE1-CB 3.64Å; A234-L276 WeakPolarHBondContact CB-O 3.48Å; T237-L276 HydrophobicContact CG2-CD1 4.19Å; T237-L276 HydrophobicContact CG2-CD2 4.1Å; L248-L276 HydrophobicContact CD1-CD2 4.39Å; F272-L276 HydrophobicContact CD1-CD1 4.16Å; F272-L276 HydrophobicContact CE1-CD1 3.59Å; F272-L276 HydrophobicContact CE2-CD1 4.01Å; F272-L276 HydrophobicContact CE2-CG 4.26Å; F272-L276 HydrophobicContact CZ-CD1 3.51Å; F272-L276 HydrophobicContact CZ-CG 4.26Å; F272-L276 PolarHBondContact O-N 2.77Å; L273-L276 PolarHBondContact O-N 3.44Å; F274-L276 PolarHBondContact O-N 2.95Å; L276-P280 HydrophobicContact CD2-CB 4.38Å; L276-V283 HydrophobicContact CD2-CB 4Å; L276-V283 HydrophobicContact CD2-CG1 3.75Å; L276-V283 HydrophobicContact CD2-CG2 4.11Å; L276-V283 HydrophobicContact CG-CG1 4.31Å; L276-V283 HydrophobicContact CG-CG2 4.14Å
277	A	87.1	Confident	90.2	Very high	0 Å²	0	4.5 Å²	4.5	0%	0	2%	0.021	C	C	.	.	H	α-helix	trans	-77.6	-37.2	-175.7	0	0	0	0	0	114.4	R159 W187 F233 L273 F274 N275 T448	R159-A277 PolarHBondContact NH2-O 3.11Å; W187-A277 HydrophobicContact CH2-CB 3.75Å; W187-A277 HydrophobicContact CZ3-CB 3.86Å; F233-A277 HydrophobicContact CD1-CB 4.44Å; F233-A277 HydrophobicContact CE1-CB 3.66Å; F233-A277 HydrophobicContact CE2-CB 4.47Å; F233-A277 HydrophobicContact CZ-CB 3.68Å; L273-A277 WeakPolarHBondContact O-CB 3.4Å; L273-A277 PolarHBondContact O-N 3.28Å; F274-A277 PolarHBondContact O-N 3.3Å; N275-A277 VanDerWaalsContact C-N 3.31Å; N275-A277 PolarHBondContact O-N 2.72Å; A277-T448 PolarHBondContact O-N 2.92Å; A277-T448 PolarHBondContact O-OG1 3.32Å
278	I	88.8	Confident	90.8	Very high	0 Å²	0	2.5 Å²	2.5	0%	0	1%	0.013	C	C	.	.	H	α-helix	trans	-90.5	-48.6	-173.4	-63.4	-50.5	0	0	0	111.1	L143 V152 A155 F274 D447 T448	L143-I278 HydrophobicContact CD2-CB 4.44Å; L143-I278 HydrophobicContact CD2-CG2 4.08Å; L143-I278 HydrophobicContact CG-CG2 4.08Å; V152-I278 HydrophobicContact CG1-CG2 3.89Å; A155-I278 HydrophobicContact CB-CD1 3.96Å; F274-I278 HydrophobicContact CD2-CG1 3.62Å; F274-I278 HydrophobicContact CE2-CB 4.37Å; F274-I278 HydrophobicContact CE2-CD1 4.3Å; F274-I278 HydrophobicContact CE2-CG1 3.4Å; F274-I278 VanDerWaalsContact CE2-CG1 3.4Å; F274-I278 HydrophobicContact CG-CG1 4.32Å; F274-I278 HydrophobicContact CZ-CB 4.48Å; F274-I278 HydrophobicContact CZ-CG1 3.96Å; F274-I278 WeakPolarHBondContact O-CB 3.19Å; F274-I278 WeakPolarHBondContact O-CG1 3.49Å; F274-I278 PolarHBondContact O-N 3.44Å; I278-D447 HydrophobicContact CD1-CB 3.88Å; I278-D447 CarbonylContact O-C 3.51Å; I278-T448 PolarHBondContact O-N 3.33Å
279	D	91	Very high	91.2	Very high	3 Å²	3	3.5 Å²	3.5	2%	0.016	2%	0.019	C	C	.	.			trans	-158.2	86.9	-177.6	-171.2	7.8	0	0	0	110	R141 L143 N275 Q281 R395	R141-D279 IonicContact CZ-OD1 3.28Å; R141-D279 IonicContact CZ-OD2 2.77Å; R141-D279 VanDerWaalsContact CZ-OD2 3.31Å; R141-D279 IonicContact NE-OD2 3.45Å; R141-D279 PolarHBondContact NE-OD2 2.87Å; R141-D279 VanDerWaalsContact NE-OD2 3.08Å; R141-D279 IonicContact NH2-OD1 3.05Å; R141-D279 PolarHBondContact NH2-OD1 2.99Å; R141-D279 IonicContact NH2-OD2 2.63Å; R141-D279 PolarHBondContact NH2-OD2 3.41Å; L143-D279 HydrophobicContact CD1-CB 3.66Å; L143-D279 HydrophobicContact CG-CB 4.03Å; N275-D279 CarbonylContact O-C 3.58Å; N275-D279 PolarHBondContact O-N 2.68Å; D279-Q281 PolarHBondContact O-N 2.79Å; D279-Q281 WeakPolarHBondContact OD1-CB 3.32Å; D279-R395 IonicContact OD1-CZ 2.69Å; D279-R395 IonicContact OD1-NE 3.08Å; D279-R395 PolarHBondContact OD1-NE 3.35Å; D279-R395 IonicContact OD1-NH2 3.31Å; D279-R395 IonicContact OD2-CZ 3.63Å; D279-R395 IonicContact OD2-NE 3.9Å; D279-R395 IonicContact OD2-NH2 3.83Å; D279-R395 PolarHBondContact OD2-NH2 3.41Å
280	P	93.3	Very high	91.8	Very high	0 Å²	0	5.7 Å²	5.7	0%	0	3%	0.026	C	C	.	.	T	Hydrogen-bonded Turn	trans	-66.5	-5.6	-172.3	26.6	-35.4	0	0	0	113.2	A236 N275 L276 S282 V283 I284 R395 T448	A236-P280 HydrophobicContact CB-CB 3.83Å; A236-P280 HydrophobicContact CB-CG 4.17Å; N275-P280 WeakPolarHBondContact O-CA 3.33Å; N275-P280 VanDerWaalsContact O-N 3.17Å; L276-P280 HydrophobicContact CD2-CB 4.38Å; P280-S282 VanDerWaalsContact C-N 3.3Å; P280-S282 PolarHBondContact O-N 3.37Å; P280-V283 PolarHBondContact O-N 3.18Å; P280-I284 HydrophobicContact CB-CD1 4.11Å; P280-I284 HydrophobicContact CB-CG1 4.5Å; P280-I284 HydrophobicContact CG-CD1 4.41Å; P280-I284 VanDerWaalsContact O-CG1 3.26Å; P280-I284 WeakPolarHBondContact O-CG1 3.34Å; P280-I284 PolarHBondContact O-N 3.24Å; P280-R395 VanDerWaalsContact CG-O 3.22Å; P280-R395 WeakPolarHBondContact CG-O 3.03Å; P280-T448 HydrophobicContact CG-CG2 4.03Å
281	Q	93.6	Very high	92.1	Very high	2 Å²	2	14.2 Å²	14.2	1%	0.009	6%	0.063	C	C	.	.	H	α-helix	trans	-49	-49.9	179.1	174.9	152.2	-24.6	0	0	112.2	R141 D279 V283 I284 I285 E309 S392	R141-Q281 VanDerWaalsContact NH2-OE1 3.1Å; D279-Q281 PolarHBondContact O-N 2.79Å; D279-Q281 WeakPolarHBondContact OD1-CB 3.32Å; Q281-V283 VanDerWaalsContact C-N 3.3Å; Q281-V283 PolarHBondContact O-N 2.95Å; Q281-I284 PolarHBondContact O-N 3.38Å; Q281-I285 WeakPolarHBondContact O-CG1 3.31Å; Q281-I285 PolarHBondContact O-N 3Å; Q281-E309 PolarHBondContact NE2-OE1 3.28Å; Q281-S392 PolarHBondContact NE2-O 3.18Å; Q281-S392 PolarHBondContact OE1-O 2.91Å
282	S	93.3	Very high	92.2	Very high	4 Å²	4	16.2 Å²	16.2	3%	0.028	7%	0.073	C	C	.	.	H	α-helix	trans	-59.8	-41	-179.3	61.6	0	0	0	0	111.8	N275 P280 I285 Q286	N275-S282 PolarHBondContact OD1-OG 3.12Å; P280-S282 VanDerWaalsContact C-N 3.3Å; P280-S282 PolarHBondContact O-N 3.37Å; S282-I285 WeakPolarHBondContact O-CG1 3.17Å; S282-Q286 WeakPolarHBondContact O-CB 3.18Å; S282-Q286 WeakPolarHBondContact O-CG 3.49Å; S282-Q286 PolarHBondContact O-N 2.97Å; S282-Q286 PolarHBondContact O-NE2 3.4Å
283	V	94.8	Very high	92.3	Very high	0 Å²	0	22.4 Å²	22.4	0%	0	11%	0.106	C	C	.	.	H	α-helix	trans	-68.5	-42.8	178.8	-177.2	0	0	0	0	110.6	L248 F252 F272 N275 L276 P280 Q281 S287	L248-V283 HydrophobicContact CB-CG1 4.35Å; L248-V283 HydrophobicContact CD2-CG1 4.25Å; F252-V283 HydrophobicContact CD2-CG2 4.17Å; F252-V283 HydrophobicContact CE2-CG2 4.08Å; F272-V283 HydrophobicContact CD2-CG1 4.31Å; F272-V283 HydrophobicContact CD2-CG2 4.43Å; F272-V283 HydrophobicContact CE2-CG1 3.67Å; N275-V283 HydrophobicContact CB-CG2 3.61Å; L276-V283 HydrophobicContact CD2-CB 4Å; L276-V283 HydrophobicContact CD2-CG1 3.75Å; L276-V283 HydrophobicContact CD2-CG2 4.11Å; L276-V283 HydrophobicContact CG-CG1 4.31Å; L276-V283 HydrophobicContact CG-CG2 4.14Å; P280-V283 PolarHBondContact O-N 3.18Å; Q281-V283 VanDerWaalsContact C-N 3.3Å; Q281-V283 PolarHBondContact O-N 2.95Å; V283-S287 WeakPolarHBondContact O-CB 3.11Å; V283-S287 PolarHBondContact O-N 2.83Å; V283-S287 PolarHBondContact O-OG 3.03Å
284	I	96	Very high	92.7	Very high	1 Å²	1	22.2 Å²	22.2	1%	0.005	11%	0.105	C	C	.	.	H	α-helix	trans	-63	-50.4	-179.5	-64.4	163.7	0	0	0	110.4	A236 P280 Q281 Q286 S287 F288 F296 I369 L394 A397 I399	A236-I284 HydrophobicContact CB-CD1 4.12Å; A236-I284 HydrophobicContact CB-CG1 4.45Å; P280-I284 HydrophobicContact CB-CD1 4.11Å; P280-I284 HydrophobicContact CB-CG1 4.5Å; P280-I284 HydrophobicContact CG-CD1 4.41Å; P280-I284 VanDerWaalsContact O-CG1 3.26Å; P280-I284 WeakPolarHBondContact O-CG1 3.34Å; P280-I284 PolarHBondContact O-N 3.24Å; Q281-I284 PolarHBondContact O-N 3.38Å; I284-Q286 VanDerWaalsContact C-N 3.31Å; I284-Q286 PolarHBondContact O-N 2.88Å; I284-S287 CarbonylContact O-C 3.58Å; I284-S287 PolarHBondContact O-N 2.79Å; I284-S287 VanDerWaalsContact O-N 3.1Å; I284-F288 HydrophobicContact CG2-CD2 4.09Å; I284-F288 WeakPolarHBondContact O-CB 3.3Å; I284-F288 WeakPolarHBondContact O-CD2 3.39Å; I284-F288 PolarHBondContact O-N 2.69Å; I284-F296 HydrophobicContact CG2-CD2 4.47Å; I284-F296 HydrophobicContact CG2-CE2 4.1Å; I284-I369 HydrophobicContact CG2-CD1 4.31Å; I284-L394 HydrophobicContact CB-CD1 4.4Å; I284-L394 HydrophobicContact CD1-CB 3.91Å; I284-L394 VanDerWaalsContact CD1-O 3.31Å; I284-L394 WeakPolarHBondContact CD1-O 3.46Å; I284-L394 HydrophobicContact CG2-CB 4.49Å; I284-L394 HydrophobicContact CG2-CD1 3.79Å; I284-A397 HydrophobicContact CD1-CB 4.01Å; I284-I399 HydrophobicContact CG1-CD1 4.2Å
285	I	95.6	Very high	93	Very high	2 Å²	2	22.6 Å²	22.6	1%	0.01	11%	0.107	C	C	.	.	H	α-helix	trans	-71	-26	-176	64.4	179.4	0	0	0	113.4	Q281 S282 P289 F296 Y299 E309 L394	Q281-I285 WeakPolarHBondContact O-CG1 3.31Å; Q281-I285 PolarHBondContact O-N 3Å; S282-I285 WeakPolarHBondContact O-CG1 3.17Å; I285-P289 WeakPolarHBondContact O-CA 3.48Å; I285-F296 HydrophobicContact CG2-CB 3.88Å; I285-F296 HydrophobicContact CG2-CD2 4.5Å; I285-F296 HydrophobicContact CG2-CG 4.38Å; I285-Y299 HydrophobicContact CD1-CD2 3.71Å; I285-Y299 HydrophobicContact CD1-CG 4.32Å; I285-Y299 HydrophobicContact CG1-CD2 4.07Å; I285-Y299 HydrophobicContact CG1-CG 4.41Å; I285-E309 HydrophobicContact CD1-CG 3.92Å; I285-L394 HydrophobicContact CG2-CD1 3.67Å
286	Q	94.6	Very high	93.2	Very high	11 Å²	11	22.6 Å²	22.6	5%	0.051	11%	0.107	C	C	.	.	H	α-helix	trans	-71.2	-40.2	169.2	-73.1	173.1	69.5	0	0	111.2	L253 S282 I284 Y299	L253-Q286 VanDerWaalsContact CB-OE1 3.3Å; L253-Q286 HydrophobicContact CD1-CG 4.2Å; L253-Q286 HydrophobicContact CG-CG 4.3Å; S282-Q286 WeakPolarHBondContact O-CB 3.18Å; S282-Q286 WeakPolarHBondContact O-CG 3.49Å; S282-Q286 PolarHBondContact O-N 2.97Å; S282-Q286 PolarHBondContact O-NE2 3.4Å; I284-Q286 VanDerWaalsContact C-N 3.31Å; I284-Q286 PolarHBondContact O-N 2.88Å; Q286-Y299 HydrophobicContact CG-CD1 3.48Å; Q286-Y299 VanDerWaalsContact CG-CD1 3.48Å; Q286-Y299 HydrophobicContact CG-CD2 4.19Å; Q286-Y299 HydrophobicContact CG-CE1 3.83Å; Q286-Y299 HydrophobicContact CG-CE2 4.49Å; Q286-Y299 HydrophobicContact CG-CG 3.64Å
287	S	94.4	Very high	93.4	Very high	0 Å²	0	22.5 Å²	22.5	0%	0	11%	0.107	C	C	.	.	H	α-helix	trans	-80.2	-24.1	-176.4	-55.5	0	0	0	0	113.9	H247 L248 R251 V283 I284	H247-S287 PolarHBondContact NE2-O 3.2Å; L248-S287 WeakPolarHBondContact CD2-OG 3.13Å; R251-S287 WeakPolarHBondContact CD-O 3.16Å; R251-S287 PolarHBondContact NH1-O 2.82Å; V283-S287 WeakPolarHBondContact O-CB 3.11Å; V283-S287 PolarHBondContact O-N 2.83Å; V283-S287 PolarHBondContact O-OG 3.03Å; I284-S287 CarbonylContact O-C 3.58Å; I284-S287 PolarHBondContact O-N 2.79Å; I284-S287 VanDerWaalsContact O-N 3.1Å
288	F	95.3	Very high	93.8	Very high	0 Å²	0	24.6 Å²	24.6	0%	0	12%	0.119	C	C	.	.	S	Bend	trans	-132.6	70	-178	-59.5	-76.3	0	0	0	109.2	L244 H247 L248 I284 W294 F296 Y367 I369 I399	L244-F288 HydrophobicContact CD1-CZ 4.42Å; H247-F288 AromaticContact CD2-CE1 3.96Å; H247-F288 AromaticContact CD2-CZ 3.83Å; H247-F288 AromaticContact NE2-CE1 3.64Å; H247-F288 AromaticContact NE2-CZ 3.97Å; L248-F288 HydrophobicContact CD2-CE2 3.9Å; I284-F288 HydrophobicContact CG2-CD2 4.09Å; I284-F288 WeakPolarHBondContact O-CB 3.3Å; I284-F288 WeakPolarHBondContact O-CD2 3.39Å; I284-F288 PolarHBondContact O-N 2.69Å; F288-W294 HydrophobicContact CB-CB 4.46Å; F288-W294 HydrophobicContact CB-CD2 3.82Å; F288-W294 HydrophobicContact CB-CG 3.76Å; F288-W294 HydrophobicContact CD1-CD2 4.35Å; F288-W294 AromaticContact CD1-CE2 3.61Å; F288-W294 HydrophobicContact CD1-CH2 4.29Å; F288-W294 AromaticContact CD1-CZ2 3.58Å; F288-W294 HydrophobicContact CD1-CZ2 3.58Å; F288-W294 AromaticContact CD1-NE1 3.78Å; F288-W294 HydrophobicContact CE1-CZ2 4.18Å; F288-W294 HydrophobicContact CG-CD2 4.44Å; F288-W294 HydrophobicContact CG-CZ2 4.38Å; F288-W294 WeakPolarHBondContact O-CB 3.34Å; F288-F296 HydrophobicContact CB-CD2 4.19Å; F288-F296 HydrophobicContact CB-CE2 3.88Å; F288-F296 VanDerWaalsContact O-CD2 3.3Å; F288-F296 WeakPolarHBondContact O-CD2 3.38Å; F288-Y367 AromaticContact CE1-CD2 3.74Å; F288-Y367 HydrophobicContact CE1-CD2 3.74Å; F288-Y367 HydrophobicContact CE1-CE2 4.33Å; F288-Y367 AromaticContact CE1-CG 3.86Å; F288-Y367 HydrophobicContact CE1-CG 3.86Å; F288-Y367 HydrophobicContact CZ-CD1 4.47Å; F288-Y367 HydrophobicContact CZ-CD2 4.35Å; F288-Y367 HydrophobicContact CZ-CG 4.2Å; F288-I369 HydrophobicContact CB-CD1 4.13Å; F288-I369 HydrophobicContact CD1-CD1 4.17Å; F288-I369 HydrophobicContact CD2-CD1 3.72Å; F288-I369 HydrophobicContact CE2-CD1 4.15Å; F288-I369 HydrophobicContact CG-CD1 3.73Å; F288-I399 HydrophobicContact CE2-CD1 3.8Å; F288-I399 HydrophobicContact CE2-CG1 4.32Å; F288-I399 HydrophobicContact CE2-CG2 4.23Å; F288-I399 HydrophobicContact CZ-CG2 3.93Å
289	P	94.5	Very high	94.2	Very high	21 Å²	21	25.7 Å²	25.7	14%	0.136	12%	0.124	C	C	.	.			trans	-75.4	151.4	-168.6	32.1	-37.4	0	0	0	112	I285 K291 E292	I285-P289 WeakPolarHBondContact O-CA 3.48Å; P289-K291 HydrophobicContact CB-CD 4.44Å; P289-K291 HydrophobicContact CB-CG 4.01Å; P289-K291 HydrophobicContact CG-CD 4.33Å; P289-K291 HydrophobicContact CG-CG 3.88Å; P289-K291 PolarHBondContact O-N 3.04Å; P289-K291 VanDerWaalsContact O-N 3.1Å; P289-E292 WeakPolarHBondContact CD-OE2 3.36Å; P289-E292 HydrophobicContact CG-CB 4.41Å; P289-E292 HydrophobicContact CG-CG 4Å; P289-E292 PolarHBondContact O-N 3.08Å
290	R	93	Very high	94.4	Very high	70 Å²	70	27.4 Å²	27.4	26%	0.264	13%	0.132	S	C	.	.	G	3₁₀ helix	trans	-53.8	-32.7	177.7	-165.7	-177.2	-168.6	110.8	-8.8	114.3	E292 N293 W294 F296 H312 T390	R290-E292 PolarHBondContact O-N 3.25Å; R290-E292 VanDerWaalsContact O-N 3.1Å; R290-N293 WeakPolarHBondContact O-CA 3.34Å; R290-N293 PolarHBondContact O-N 2.88Å; R290-W294 WeakPolarHBondContact CA-O 3.22Å; R290-F296 PolarHBondContact NH1-O 2.83Å; R290-H312 PolarHBondContact NH1-CE1 3.34Å; R290-H312 PolarHBondContact NH1-ND1 2.84Å; R290-H312 PolarHBondContact NH2-ND1 3.15Å; R290-T390 PolarHBondContact NH1-OG1 3.2Å; R290-T390 PolarHBondContact NH2-OG1 3.03Å
291	K	91.4	Very high	94.4	Very high	179 Å²	179	27.5 Å²	27.5	78%	0.778	13%	0.133	S	C	*	.	G	3₁₀ helix	trans	-60.3	-16.8	175.9	72.6	-173.7	178.4	176.1	0	113.8	P289	P289-K291 HydrophobicContact CB-CD 4.44Å; P289-K291 HydrophobicContact CB-CG 4.01Å; P289-K291 HydrophobicContact CG-CD 4.33Å; P289-K291 HydrophobicContact CG-CG 3.88Å; P289-K291 PolarHBondContact O-N 3.04Å; P289-K291 VanDerWaalsContact O-N 3.1Å
292	E	91	Very high	94.5	Very high	43 Å²	43	27.4 Å²	27.4	20%	0.201	13%	0.133	C	C	.	.	G	3₁₀ helix	trans	-105.1	28.1	174.6	-63.4	173.7	-177	0	0	111.4	R251 P289 R290 W294 P364	R251-E292 IonicContact CZ-OE1 3.97Å; R251-E292 IonicContact CZ-OE2 2.76Å; R251-E292 IonicContact NH1-OE1 3.53Å; R251-E292 PolarHBondContact NH1-OE1 2.82Å; R251-E292 IonicContact NH1-OE2 3.74Å; R251-E292 PolarHBondContact NH1-OE2 2.64Å; R251-E292 IonicContact NH2-OE1 2.72Å; R251-E292 PolarHBondContact NH2-OE1 3.5Å; R251-E292 IonicContact NH2-OE2 3.3Å; R251-E292 PolarHBondContact NH2-OE2 3.06Å; P289-E292 WeakPolarHBondContact CD-OE2 3.36Å; P289-E292 HydrophobicContact CG-CB 4.41Å; P289-E292 HydrophobicContact CG-CG 4Å; P289-E292 PolarHBondContact O-N 3.08Å; R290-E292 PolarHBondContact O-N 3.25Å; R290-E292 VanDerWaalsContact O-N 3.1Å; E292-W294 VanDerWaalsContact C-N 3.27Å; E292-W294 PolarHBondContact O-N 2.55Å; E292-P364 HydrophobicContact CB-CG 4.28Å; E292-P364 HydrophobicContact CG-CG 4.3Å; E292-P364 WeakPolarHBondContact OE2-CB 3.46Å; E292-P364 WeakPolarHBondContact OE2-CG 3.4Å
293	N	91.6	Very high	94.5	Very high	129 Å²	129	27.2 Å²	27.2	69%	0.69	13%	0.132	S	C	*	.	T	Hydrogen-bonded Turn	trans	67.8	10.5	177.4	-59.8	-38.7	0	0	0	116.8	R290	R290-N293 WeakPolarHBondContact O-CA 3.34Å; R290-N293 PolarHBondContact O-N 2.88Å
294	W	95	Very high	94.4	Very high	1 Å²	1	27.2 Å²	27.2	0%	0.004	13%	0.132	C	C	.	.			trans	-70.2	137.5	170.5	-67.2	96.3	0	0	0	111.4	F288 R290 E292 F296 H343 I369	F288-W294 HydrophobicContact CB-CB 4.46Å; F288-W294 HydrophobicContact CB-CD2 3.82Å; F288-W294 HydrophobicContact CB-CG 3.76Å; F288-W294 HydrophobicContact CD1-CD2 4.35Å; F288-W294 AromaticContact CD1-CE2 3.61Å; F288-W294 HydrophobicContact CD1-CH2 4.29Å; F288-W294 AromaticContact CD1-CZ2 3.58Å; F288-W294 HydrophobicContact CD1-CZ2 3.58Å; F288-W294 AromaticContact CD1-NE1 3.78Å; F288-W294 HydrophobicContact CE1-CZ2 4.18Å; F288-W294 HydrophobicContact CG-CD2 4.44Å; F288-W294 HydrophobicContact CG-CZ2 4.38Å; F288-W294 WeakPolarHBondContact O-CB 3.34Å; R290-W294 WeakPolarHBondContact CA-O 3.22Å; E292-W294 VanDerWaalsContact C-N 3.27Å; E292-W294 PolarHBondContact O-N 2.55Å; W294-F296 HydrophobicContact CB-CD2 3.72Å; W294-F296 HydrophobicContact CB-CE2 3.88Å; W294-F296 HydrophobicContact CB-CG 4.29Å; W294-F296 HydrophobicContact CD2-CE2 4.1Å; W294-F296 AromaticContact CE3-CE2 3.74Å; W294-F296 HydrophobicContact CE3-CE2 3.74Å; W294-F296 AromaticContact CE3-CZ 3.83Å; W294-F296 HydrophobicContact CE3-CZ 3.83Å; W294-F296 HydrophobicContact CG-CD2 4.41Å; W294-F296 HydrophobicContact CG-CE2 4.19Å; W294-F296 PolarHBondContact O-N 3.49Å; W294-H343 AromaticContact CD2-CE1 3.77Å; W294-H343 AromaticContact CD2-ND1 3.87Å; W294-H343 AromaticContact CE2-CE1 3.75Å; W294-H343 AromaticContact CE2-ND1 3.56Å; W294-H343 AromaticContact CE3-CE1 3.96Å; W294-H343 AromaticContact CE3-ND1 3.87Å; W294-H343 HydrophobicContact CH2-CB 4.3Å; W294-H343 AromaticContact CH2-ND1 3.32Å; W294-H343 VanDerWaalsContact CH2-ND1 3.32Å; W294-H343 WeakPolarHBondContact CH2-ND1 3.26Å; W294-H343 HydrophobicContact CZ2-CB 4.12Å; W294-H343 AromaticContact CZ2-CE1 3.97Å; W294-H343 AromaticContact CZ2-CG 3.81Å; W294-H343 AromaticContact CZ2-ND1 3.29Å; W294-H343 VanDerWaalsContact CZ2-ND1 3.29Å; W294-H343 WeakPolarHBondContact CZ2-ND1 3.12Å; W294-H343 AromaticContact CZ3-ND1 3.6Å; W294-I369 HydrophobicContact CD2-CD1 4.49Å; W294-I369 HydrophobicContact CE3-CD1 3.82Å; W294-I369 HydrophobicContact CE3-CG1 4.5Å; W294-I369 HydrophobicContact CH2-CD1 3.85Å; W294-I369 HydrophobicContact CH2-CG1 3.92Å; W294-I369 HydrophobicContact CZ3-CB 4.12Å; W294-I369 HydrophobicContact CZ3-CD1 3.47Å; W294-I369 VanDerWaalsContact CZ3-CD1 3.47Å; W294-I369 HydrophobicContact CZ3-CG1 3.68Å
295	P	96.1	Very high	94.2	Very high	7 Å²	7	27.3 Å²	27.3	5%	0.045	13%	0.132	C	C	.	.	S	Bend	trans	-82.3	41.9	-174.4	36.2	-37.5	0	0	0	112.3	L337 K340 L341 T390 I391	P295-L337 HydrophobicContact CB-CD2 3.77Å; P295-L337 HydrophobicContact CG-CD2 4.24Å; P295-K340 HydrophobicContact CB-CB 4.37Å; P295-K340 HydrophobicContact CB-CD 4.16Å; P295-K340 HydrophobicContact CG-CB 4.01Å; P295-L341 HydrophobicContact CG-CD2 4.07Å; P295-L341 HydrophobicContact CG-CG 4.41Å; P295-T390 WeakPolarHBondContact O-CG2 3.37Å; P295-I391 HydrophobicContact CG-CD1 3.8Å; P295-I391 HydrophobicContact CG-CG1 4.27Å; P295-I391 PolarHBondContact O-N 3.05Å
296	F	96.5	Very high	94	Very high	0 Å²	0	27.3 Å²	27.3	0%	0	13%	0.132	C	C	.	.	S	Bend	trans	-110.7	163.6	-173.4	-53	-31.5	0	0	0	111.9	I284 I285 F288 R290 W294 L341 I369 T390 I391 L394	I284-F296 HydrophobicContact CG2-CD2 4.47Å; I284-F296 HydrophobicContact CG2-CE2 4.1Å; I285-F296 HydrophobicContact CG2-CB 3.88Å; I285-F296 HydrophobicContact CG2-CD2 4.5Å; I285-F296 HydrophobicContact CG2-CG 4.38Å; F288-F296 HydrophobicContact CB-CD2 4.19Å; F288-F296 HydrophobicContact CB-CE2 3.88Å; F288-F296 VanDerWaalsContact O-CD2 3.3Å; F288-F296 WeakPolarHBondContact O-CD2 3.38Å; R290-F296 PolarHBondContact NH1-O 2.83Å; W294-F296 HydrophobicContact CB-CD2 3.72Å; W294-F296 HydrophobicContact CB-CE2 3.88Å; W294-F296 HydrophobicContact CB-CG 4.29Å; W294-F296 HydrophobicContact CD2-CE2 4.1Å; W294-F296 AromaticContact CE3-CE2 3.74Å; W294-F296 HydrophobicContact CE3-CE2 3.74Å; W294-F296 AromaticContact CE3-CZ 3.83Å; W294-F296 HydrophobicContact CE3-CZ 3.83Å; W294-F296 HydrophobicContact CG-CD2 4.41Å; W294-F296 HydrophobicContact CG-CE2 4.19Å; W294-F296 PolarHBondContact O-N 3.49Å; F296-L341 HydrophobicContact CE1-CD2 3.73Å; F296-L341 HydrophobicContact CZ-CD2 3.71Å; F296-I369 HydrophobicContact CE2-CD1 3.68Å; F296-I369 HydrophobicContact CZ-CD1 3.77Å; F296-I369 HydrophobicContact CZ-CG2 4.34Å; F296-T390 VanDerWaalsContact C-CG2 3.49Å; F296-I391 HydrophobicContact CD1-CB 4.1Å; F296-I391 HydrophobicContact CE1-CB 4.25Å; F296-I391 HydrophobicContact CE1-CD1 4.39Å; F296-I391 HydrophobicContact CE1-CG2 4.49Å; F296-L394 HydrophobicContact CB-CD1 4.32Å; F296-L394 HydrophobicContact CD1-CD1 3.6Å; F296-L394 HydrophobicContact CD1-CD2 4.13Å; F296-L394 HydrophobicContact CD1-CG 4.37Å; F296-L394 HydrophobicContact CD2-CD1 3.98Å; F296-L394 HydrophobicContact CE1-CD1 3.86Å; F296-L394 HydrophobicContact CE1-CD2 3.65Å; F296-L394 HydrophobicContact CE1-CG 4.36Å; F296-L394 HydrophobicContact CE2-CD1 4.22Å; F296-L394 HydrophobicContact CG-CD1 3.7Å; F296-L394 HydrophobicContact CZ-CD1 4.17Å; F296-L394 HydrophobicContact CZ-CD2 4.09Å
297	P	95.2	Very high	94	Very high	0 Å²	0	27 Å²	27	0%	0	13%	0.131	C	C	.	.	P	Polyproline II helix	trans	-63.2	149.3	169.4	-22	34	0	0	0	111.7	Y299 E309 T390 I391	P297-Y299 PolarHBondContact O-N 3.34Å; P297-E309 HydrophobicContact CB-CB 4.14Å; P297-E309 HydrophobicContact CB-CG 4.5Å; P297-E309 WeakPolarHBondContact CB-OE2 3.47Å; P297-T390 HydrophobicContact CG-CG2 3.9Å; P297-I391 WeakPolarHBondContact CD-O 3.17Å
298	T	95.6	Very high	94	Very high	44 Å²	44	27 Å²	27	27%	0.27	13%	0.131	S	C	.	.	P	Polyproline II helix	trans	-78.1	121.8	173.2	-48.4	0	0	0	0	109.2	L300 E309 E310 H312	T298-L300 HydrophobicContact CG2-CD2 4.36Å; T298-E309 CarbonylContact O-C 3.52Å; T298-E309 WeakPolarHBondContact O-CA 3.2Å; T298-E310 WeakPolarHBondContact CB-OE2 3.25Å; T298-E310 PolarHBondContact O-N 3.04Å; T298-E310 PolarHBondContact OG1-OE2 2.84Å; T298-H312 PolarHBondContact N-NE2 3.15Å; T298-H312 PolarHBondContact OG1-NE2 3.33Å
299	Y	95.6	Very high	94	Very high	23 Å²	23	27 Å²	27	9%	0.09	13%	0.131	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.4	127.8	172.7	-170.8	-104.1	0	0	0	110.9	L253 E254 I285 Q286 P297 G301 S302	L253-Y299 HydrophobicContact CD1-CD1 4.19Å; E254-Y299 HydrophobicContact CG-CE1 4.42Å; E254-Y299 VanDerWaalsContact CG-OH 3.3Å; E254-Y299 WeakPolarHBondContact CG-OH 3.4Å; E254-Y299 PolarHBondContact OE1-OH 2.92Å; I285-Y299 HydrophobicContact CD1-CD2 3.71Å; I285-Y299 HydrophobicContact CD1-CG 4.32Å; I285-Y299 HydrophobicContact CG1-CD2 4.07Å; I285-Y299 HydrophobicContact CG1-CG 4.41Å; Q286-Y299 HydrophobicContact CG-CD1 3.48Å; Q286-Y299 VanDerWaalsContact CG-CD1 3.48Å; Q286-Y299 HydrophobicContact CG-CD2 4.19Å; Q286-Y299 HydrophobicContact CG-CE1 3.83Å; Q286-Y299 HydrophobicContact CG-CE2 4.49Å; Q286-Y299 HydrophobicContact CG-CG 3.64Å; P297-Y299 PolarHBondContact O-N 3.34Å; Y299-G301 VanDerWaalsContact CE1-CA 3.46Å; Y299-S302 WeakPolarHBondContact OH-CB 3.45Å; Y299-S302 PolarHBondContact OH-OG 3.45Å
300	L	95.2	Very high	94	Very high	38 Å²	38	29.3 Å²	29.3	20%	0.199	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.8	-23.4	179.6	-59.1	179.9	0	0	0	112.8	I92 V138 T298 V308 E310	I92-L300 HydrophobicContact CD1-CB 4.32Å; I92-L300 WeakPolarHBondContact CD1-O 3.45Å; V138-L300 HydrophobicContact CB-CD1 4.41Å; V138-L300 HydrophobicContact CG1-CD1 3.62Å; T298-L300 HydrophobicContact CG2-CD2 4.36Å; L300-V308 HydrophobicContact CB-CB 4.35Å; L300-V308 HydrophobicContact CB-CG1 4.22Å; L300-V308 WeakPolarHBondContact CB-O 3.49Å; L300-V308 HydrophobicContact CD1-CG1 4.15Å; L300-V308 PolarHBondContact N-O 3.45Å; L300-E310 HydrophobicContact CD1-CB 4.29Å; L300-E310 HydrophobicContact CD2-CB 4.41Å; L300-E310 HydrophobicContact CG-CB 4.42Å
301	G	94.8	Very high	94.1	Very high	2 Å²	2	28.2 Å²	28.2	2%	0.021	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	144.9	-172.2	-179.4	0	0	0	0	0	111.5	S91 Y299 V308	S91-G301 WeakPolarHBondContact OG-CA 3.23Å; Y299-G301 VanDerWaalsContact CE1-CA 3.46Å; G301-V308 PolarHBondContact N-O 2.87Å; G301-V308 PolarHBondContact O-N 3.47Å
302	S	94.6	Very high	94.2	Very high	0 Å²	0	20.5 Å²	20.5	0%	0	10%	0.103	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151	162.6	178.1	56.1	0	0	0	0	112.6	A88 G89 Q90 S91 I92 E254 Y299 W306	A88-S302 VanDerWaalsContact C-OG 3.3Å; A88-S302 PolarHBondContact O-OG 3Å; G89-S302 WeakPolarHBondContact CA-OG 3.39Å; G89-S302 PolarHBondContact N-OG 2.85Å; G89-S302 VanDerWaalsContact N-OG 3.08Å; Q90-S302 CarbonylContact C-O 3.57Å; Q90-S302 WeakPolarHBondContact CA-O 3.33Å; Q90-S302 PolarHBondContact N-O 3.2Å; S91-S302 PolarHBondContact N-O 2.99Å; S91-S302 VanDerWaalsContact N-O 3.16Å; S91-S302 PolarHBondContact OG-N 2.98Å; S91-S302 VanDerWaalsContact OG-N 3.15Å; I92-S302 PolarHBondContact N-O 3.28Å; E254-S302 WeakPolarHBondContact CG-OG 3.33Å; E254-S302 PolarHBondContact OE1-N 3.1Å; E254-S302 PolarHBondContact OE1-OG 3.26Å; E254-S302 PolarHBondContact OE2-OG 3.23Å; Y299-S302 WeakPolarHBondContact OH-CB 3.45Å; Y299-S302 PolarHBondContact OH-OG 3.45Å; S302-W306 CarbonylContact C-O 3.46Å; S302-W306 WeakPolarHBondContact CA-O 3.49Å; S302-W306 WeakPolarHBondContact CB-O 3.27Å
303	C	93.8	Very high	94.3	Very high	0 Å²	0	18.6 Å²	18.6	0%	0	10%	0.095	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.6	120.6	171.4	-174	0	0	0	0	110.7	L79 G89 I92 C93 F96 R305 W306	L79-C303 HydrophobicContact CD2-CB 4.39Å; G89-C303 CarbonylContact O-C 3.6Å; G89-C303 VanDerWaalsContact O-CA 3.26Å; G89-C303 WeakPolarHBondContact O-CA 3.35Å; I92-C303 HydrophobicContact CG2-CB 4.44Å; C93-C303 WeakPolarHBondContact CA-SG 3.15Å; C93-C303 HydrophobicContact CB-CB 3.92Å; C93-C303 WeakPolarHBondContact CB-SG 3.49Å; C93-C303 WeakPolarHBondContact SG-CA 3.19Å; C93-C303 WeakPolarHBondContact SG-CB 3.47Å; C93-C303 CovalentContact SG-SG 2.04Å; C93-C303 PolarHBondContact SG-SG 2.72Å; F96-C303 HydrophobicContact CD2-CB 3.47Å; F96-C303 VanDerWaalsContact CD2-CB 3.47Å; F96-C303 HydrophobicContact CE2-CB 3.72Å; F96-C303 HydrophobicContact CG-CB 4.4Å; C303-R305 PolarHBondContact O-N 2.66Å; C303-W306 PolarHBondContact N-O 3.25Å; C303-W306 PolarHBondContact O-N 3.08Å; C303-W306 VanDerWaalsContact O-N 3.14Å
304	G	92.6	Very high	94.2	Very high	0 Å²	0	13.8 Å²	13.8	0%	0	7%	0.07	C	C	.	.	B	Isolated β-bridge	trans	56.5	-133.2	-174.7	0	0	0	0	0	110	L79 C87 A88 G89 W306	L79-G304 CarbonylContact O-C 3.58Å; L79-G304 VanDerWaalsContact O-CA 3.23Å; L79-G304 WeakPolarHBondContact O-CA 3.42Å; C87-G304 CarbonylContact C-O 3.59Å; C87-G304 WeakPolarHBondContact CB-O 3.33Å; A88-G304 WeakPolarHBondContact CA-O 3.39Å; A88-G304 WeakPolarHBondContact CB-O 3.43Å; A88-G304 PolarHBondContact N-O 3.46Å; G89-G304 PolarHBondContact N-O 3.15Å; G89-G304 PolarHBondContact O-N 3.11Å; G304-W306 PolarHBondContact O-N 3.09Å
305	R	90.9	Very high	93.9	Very high	4 Å²	4	14.9 Å²	14.9	2%	0.015	8%	0.078	C	C	.	.	T	Hydrogen-bonded Turn	trans	-82.6	18.4	179.5	-71.1	-163.5	170.6	171.3	-5.4	114.9	L79 E80 G86 R142 L143 P149 D153 C303	L79-R305 PolarHBondContact O-N 3.17Å; E80-R305 HydrophobicContact CB-CB 4.47Å; E80-R305 HydrophobicContact CB-CG 4.14Å; E80-R305 WeakPolarHBondContact OE2-CD 3.43Å; E80-R305 IonicContact OE2-CZ 3.93Å; E80-R305 IonicContact OE2-NE 3.84Å; E80-R305 IonicContact OE2-NH1 3.82Å; E80-R305 PolarHBondContact OE2-NH1 2.94Å; G86-R305 PolarHBondContact O-NE 2.82Å; R142-R305 CarbonylContact C-O 3.47Å; R142-R305 WeakPolarHBondContact CA-O 3.36Å; R142-R305 WeakPolarHBondContact CG-O 3.41Å; L143-R305 HydrophobicContact CB-CB 4.44Å; L143-R305 WeakPolarHBondContact CB-O 3.45Å; L143-R305 PolarHBondContact N-O 3.1Å; P149-R305 PolarHBondContact O-NH1 3.46Å; D153-R305 IonicContact OD1-CZ 2.63Å; D153-R305 IonicContact OD1-NH1 2.74Å; D153-R305 PolarHBondContact OD1-NH1 3.31Å; D153-R305 IonicContact OD1-NH2 2.83Å; D153-R305 PolarHBondContact OD1-NH2 2.86Å; C303-R305 PolarHBondContact O-N 2.66Å
306	W	92.7	Very high	93.6	Very high	1 Å²	1	14.6 Å²	14.6	0%	0.004	8%	0.075	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.2	129.2	-176.9	-67.5	75.5	0	0	0	111.4	L74 M78 L79 F96 F103 F120 L140 R141 R142 S302 C303 G304	L74-W306 HydrophobicContact CD1-CH2 3.87Å; L74-W306 HydrophobicContact CD1-CZ2 3.72Å; L74-W306 HydrophobicContact CD2-CD2 4.36Å; L74-W306 HydrophobicContact CD2-CZ2 4.21Å; M78-W306 PolarHBondContact O-NE1 3.11Å; L79-W306 HydrophobicContact CD2-CB 4.19Å; L79-W306 HydrophobicContact CD2-CG 4.01Å; F96-W306 HydrophobicContact CZ-CB 4.47Å; F103-W306 HydrophobicContact CZ-CH2 4.01Å; F103-W306 HydrophobicContact CZ-CZ3 4.14Å; F120-W306 AromaticContact CD1-CH2 4Å; F120-W306 HydrophobicContact CD1-CH2 4Å; F120-W306 HydrophobicContact CD1-CZ2 4.49Å; F120-W306 AromaticContact CE1-CH2 3.41Å; F120-W306 HydrophobicContact CE1-CH2 3.41Å; F120-W306 VanDerWaalsContact CE1-CH2 3.41Å; F120-W306 AromaticContact CE1-CZ2 3.69Å; F120-W306 HydrophobicContact CE1-CZ2 3.69Å; F120-W306 HydrophobicContact CE1-CZ3 4.35Å; F120-W306 HydrophobicContact CZ-CH2 4.36Å; F120-W306 HydrophobicContact CZ-CZ2 4.23Å; L140-W306 HydrophobicContact CB-CE3 4.04Å; L140-W306 HydrophobicContact CB-CZ3 3.99Å; R141-W306 CarbonylContact O-C 3.57Å; R141-W306 WeakPolarHBondContact O-CA 3.12Å; R142-W306 HydrophobicContact CB-CD2 4.41Å; R142-W306 HydrophobicContact CB-CE3 4.49Å; S302-W306 CarbonylContact C-O 3.46Å; S302-W306 WeakPolarHBondContact CA-O 3.49Å; S302-W306 WeakPolarHBondContact CB-O 3.27Å; C303-W306 PolarHBondContact N-O 3.25Å; C303-W306 PolarHBondContact O-N 3.08Å; C303-W306 VanDerWaalsContact O-N 3.14Å; G304-W306 PolarHBondContact O-N 3.09Å
307	S	93.8	Very high	93.1	Very high	4 Å²	4	16.1 Å²	16.1	3%	0.028	9%	0.086	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.5	145.8	166.1	57.5	0	0	0	0	110.4	R141	R141-S307 PolarHBondContact N-O 3.28Å; R141-S307 PolarHBondContact O-N 3.23Å; R141-S307 PolarHBondContact O-OG 2.97Å
308	V	95	Very high	92.7	Very high	0 Å²	0	24.1 Å²	24.1	0%	0	12%	0.117	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.3	123.4	173.7	-171.2	0	0	0	0	107.4	I92 F96 I101 M129 V138 L140 L300 G301	I92-V308 HydrophobicContact CD1-CB 4.36Å; I92-V308 HydrophobicContact CG2-CG2 3.76Å; F96-V308 HydrophobicContact CE2-CG2 3.8Å; F96-V308 HydrophobicContact CZ-CG2 3.93Å; I101-V308 HydrophobicContact CD1-CG2 4.14Å; M129-V308 HydrophobicContact SD-CG1 4.36Å; V138-V308 HydrophobicContact CB-CG1 3.86Å; V138-V308 HydrophobicContact CG1-CG1 4.13Å; V138-V308 HydrophobicContact CG2-CG1 3.96Å; L140-V308 HydrophobicContact CD2-CB 4.31Å; L140-V308 HydrophobicContact CD2-CG1 4.1Å; L140-V308 HydrophobicContact CD2-CG2 3.72Å; L300-V308 HydrophobicContact CB-CB 4.35Å; L300-V308 HydrophobicContact CB-CG1 4.22Å; L300-V308 WeakPolarHBondContact CB-O 3.49Å; L300-V308 HydrophobicContact CD1-CG1 4.15Å; L300-V308 PolarHBondContact N-O 3.45Å; G301-V308 PolarHBondContact N-O 2.87Å; G301-V308 PolarHBondContact O-N 3.47Å
309	E	95.5	Very high	92.5	Very high	1 Å²	1	23 Å²	23	1%	0.005	11%	0.109	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121	152.7	179.9	-62.6	170.1	-158.8	0	0	109	V138 L139 Q281 I285 P297 T298	V138-E309 CarbonylContact C-O 3.6Å; V138-E309 WeakPolarHBondContact CA-O 3.16Å; V138-E309 WeakPolarHBondContact CB-O 3.5Å; L139-E309 HydrophobicContact CB-CB 4.29Å; L139-E309 PolarHBondContact N-O 3.32Å; L139-E309 PolarHBondContact O-N 3.08Å; Q281-E309 PolarHBondContact NE2-OE1 3.28Å; I285-E309 HydrophobicContact CD1-CG 3.92Å; P297-E309 HydrophobicContact CB-CB 4.14Å; P297-E309 HydrophobicContact CB-CG 4.5Å; P297-E309 WeakPolarHBondContact CB-OE2 3.47Å; T298-E309 CarbonylContact O-C 3.52Å; T298-E309 WeakPolarHBondContact O-CA 3.2Å
310	E	94.8	Very high	92.1	Very high	69 Å²	69	22.5 Å²	22.5	32%	0.322	11%	0.109	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-64	142.6	171.5	-175.4	170.5	-144.9	0	0	110.2	T298 L300 H312	T298-E310 WeakPolarHBondContact CB-OE2 3.25Å; T298-E310 PolarHBondContact O-N 3.04Å; T298-E310 PolarHBondContact OG1-OE2 2.84Å; L300-E310 HydrophobicContact CD1-CB 4.29Å; L300-E310 HydrophobicContact CD2-CB 4.41Å; L300-E310 HydrophobicContact CG-CB 4.42Å; E310-H312 PolarHBondContact O-CD2 3.22Å; E310-H312 PolarHBondContact O-N 2.99Å; E310-H312 IonicContact OE2-CE1 3.77Å; E310-H312 IonicContact OE2-NE2 3.4Å; E310-H312 PolarHBondContact OE2-NE2 3.14Å
311	Y	94.5	Very high	91.7	Very high	47 Å²	47	28.8 Å²	28.8	18%	0.184	14%	0.142	C	C	.	.			trans	-74.8	116.5	-179.6	179.9	-101.3	0	0	0	111	K126 H137 G313 V314	K126-Y311 HydrophobicContact CB-CE2 4.44Å; K126-Y311 HydrophobicContact CD-CD2 4.46Å; K126-Y311 HydrophobicContact CD-CE2 3.82Å; K126-Y311 HydrophobicContact CG-CD2 4.12Å; K126-Y311 HydrophobicContact CG-CE2 3.88Å; H137-Y311 HydrophobicContact CB-CD1 4.04Å; H137-Y311 HydrophobicContact CB-CG 3.92Å; H137-Y311 WeakPolarHBondContact O-CB 2.88Å; H137-Y311 PolarHBondContact O-N 3.3Å; Y311-G313 WeakPolarHBondContact CE2-O 3.46Å; Y311-G313 PolarHBondContact OH-O 3.31Å; Y311-G313 VanDerWaalsContact OH-O 3.05Å; Y311-V314 VanDerWaalsContact OH-CG1 3.25Å; Y311-V314 WeakPolarHBondContact OH-CG1 3.29Å
312	H	94.2	Very high	91.6	Very high	17 Å²	17	29.6 Å²	29.6	8%	0.079	15%	0.148	C	C	.	.			trans	-114.3	28.2	-177.9	-76.6	-72.3	0	0	0	113.6	R290 T298 E310 T390	R290-H312 PolarHBondContact NH1-CE1 3.34Å; R290-H312 PolarHBondContact NH1-ND1 2.84Å; R290-H312 PolarHBondContact NH2-ND1 3.15Å; T298-H312 PolarHBondContact N-NE2 3.15Å; T298-H312 PolarHBondContact OG1-NE2 3.33Å; E310-H312 PolarHBondContact O-CD2 3.22Å; E310-H312 PolarHBondContact O-N 2.99Å; E310-H312 IonicContact OE2-CE1 3.77Å; E310-H312 IonicContact OE2-NE2 3.4Å; E310-H312 PolarHBondContact OE2-NE2 3.14Å; H312-T390 HydrophobicContact CB-CG2 4.05Å
313	G	92.6	Very high	91.6	Very high	4 Å²	4	33 Å²	33	4%	0.041	17%	0.17	C	C	.	.			trans	109.5	-152.3	171.5	0	0	0	0	0	115.6	Y311 V382	Y311-G313 WeakPolarHBondContact CE2-O 3.46Å; Y311-G313 PolarHBondContact OH-O 3.31Å; Y311-G313 VanDerWaalsContact OH-O 3.05Å; G313-V382 VanDerWaalsContact CA-O 3.27Å; G313-V382 WeakPolarHBondContact CA-O 3.44Å
314	V	89.3	Confident	91.6	Very high	27 Å²	27	36.2 Å²	36.2	16%	0.164	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.5	157.6	-175.2	-62.7	0	0	0	0	111.3	Y311 Y318 F319 L381 V382	Y311-V314 VanDerWaalsContact OH-CG1 3.25Å; Y311-V314 WeakPolarHBondContact OH-CG1 3.29Å; V314-Y318 HydrophobicContact CB-CD1 4.38Å; V314-Y318 HydrophobicContact CB-CD2 4.08Å; V314-Y318 HydrophobicContact CB-CE2 4.47Å; V314-Y318 HydrophobicContact CB-CG 4.04Å; V314-Y318 HydrophobicContact CG2-CD1 4.23Å; V314-Y318 HydrophobicContact CG2-CD2 4.25Å; V314-Y318 HydrophobicContact CG2-CG 3.8Å; V314-F319 HydrophobicContact CG2-CE2 3.58Å; V314-F319 HydrophobicContact CG2-CZ 4.17Å; V314-L381 CarbonylContact O-C 3.2Å; V314-L381 WeakPolarHBondContact O-CA 3.49Å; V314-V382 PolarHBondContact N-O 3.34Å; V314-V382 PolarHBondContact O-N 3.32Å
315	P	88.9	Confident	91.7	Very high	25 Å²	25	42.7 Å²	42.7	16%	0.162	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-52	146.9	174.6	-30.1	37.6	0	0	0	113.5	V123 S317 Y318 L381	V123-P315 HydrophobicContact CG2-CG 4.36Å; P315-S317 PolarHBondContact O-N 2.79Å; P315-S317 VanDerWaalsContact O-N 3.08Å; P315-Y318 HydrophobicContact CB-CD2 4.23Å; P315-Y318 HydrophobicContact CB-CE2 4.5Å; P315-Y318 HydrophobicContact CG-CD2 4.48Å; P315-Y318 HydrophobicContact CG-CE2 4.33Å; P315-Y318 WeakPolarHBondContact O-CB 3.32Å; P315-Y318 WeakPolarHBondContact O-CD2 3.48Å; P315-Y318 PolarHBondContact O-N 2.64Å; P315-Y318 VanDerWaalsContact O-N 3.09Å; P315-L381 HydrophobicContact CG-CD2 4.29Å
316	L	89.4	Confident	91.9	Very high	0 Å²	0	43.4 Å²	43.4	0%	0	22%	0.215	C	C	.	.	G	3₁₀ helix	trans	-53.4	-33	-178.3	-176.2	62.9	0	0	0	113.9	Y318 F319 I330 I334 L376 F380 V382 F498	L316-Y318 PolarHBondContact O-N 3.25Å; L316-Y318 VanDerWaalsContact O-N 3.08Å; L316-F319 PolarHBondContact O-N 2.74Å; L316-I330 HydrophobicContact CD1-CG2 3.46Å; L316-I330 VanDerWaalsContact CD1-CG2 3.46Å; L316-I334 HydrophobicContact CD1-CD1 4.13Å; L316-I334 HydrophobicContact CD2-CD1 3.74Å; L316-L376 HydrophobicContact CD2-CD1 3.63Å; L316-L376 HydrophobicContact CD2-CD2 3.99Å; L316-L376 HydrophobicContact CD2-CG 3.74Å; L316-F380 HydrophobicContact CB-CB 4.4Å; L316-F380 HydrophobicContact CD2-CD2 4.28Å; L316-F380 PolarHBondContact N-O 2.86Å; L316-V382 HydrophobicContact CB-CG2 4.47Å; L316-V382 HydrophobicContact CD1-CG2 3.71Å; L316-F498 HydrophobicContact CD1-CD2 4.19Å; L316-F498 HydrophobicContact CD1-CE1 4.13Å; L316-F498 HydrophobicContact CD1-CE2 3.72Å; L316-F498 HydrophobicContact CD1-CZ 3.7Å; L316-F498 HydrophobicContact CD2-CD1 4.02Å; L316-F498 HydrophobicContact CD2-CD2 4.43Å; L316-F498 HydrophobicContact CD2-CE1 4.19Å; L316-F498 HydrophobicContact CD2-CG 4.14Å; L316-F498 HydrophobicContact CG-CD2 4.08Å; L316-F498 HydrophobicContact CG-CE2 4.13Å; L316-F498 HydrophobicContact CG-CG 4.29Å; L316-F498 HydrophobicContact CG-CZ 4.36Å
317	S	85.1	Confident	92	Very high	32 Å²	32	43.8 Å²	43.8	22%	0.224	22%	0.217	C	C	.	.	G	3₁₀ helix	trans	-55.2	-26.5	178.6	36.5	0	0	0	0	114.5	P315 F319 C320 N377	P315-S317 PolarHBondContact O-N 2.79Å; P315-S317 VanDerWaalsContact O-N 3.08Å; S317-F319 PolarHBondContact O-N 3.07Å; S317-F319 VanDerWaalsContact O-N 3.17Å; S317-C320 PolarHBondContact O-N 3.47Å; S317-N377 WeakPolarHBondContact CB-OD1 3.03Å; S317-N377 PolarHBondContact OG-OD1 2.63Å
318	Y	87.4	Confident	92.2	Very high	168 Å²	168	43.7 Å²	43.7	66%	0.659	22%	0.216	S	C	*	.	G	3₁₀ helix	trans	-61.5	-22.1	175.6	-81.6	-107.9	0	0	0	112.7	V314 P315 L316	V314-Y318 HydrophobicContact CB-CD1 4.38Å; V314-Y318 HydrophobicContact CB-CD2 4.08Å; V314-Y318 HydrophobicContact CB-CE2 4.47Å; V314-Y318 HydrophobicContact CB-CG 4.04Å; V314-Y318 HydrophobicContact CG2-CD1 4.23Å; V314-Y318 HydrophobicContact CG2-CD2 4.25Å; V314-Y318 HydrophobicContact CG2-CG 3.8Å; P315-Y318 HydrophobicContact CB-CD2 4.23Å; P315-Y318 HydrophobicContact CB-CE2 4.5Å; P315-Y318 HydrophobicContact CG-CD2 4.48Å; P315-Y318 HydrophobicContact CG-CE2 4.33Å; P315-Y318 WeakPolarHBondContact O-CB 3.32Å; P315-Y318 WeakPolarHBondContact O-CD2 3.48Å; P315-Y318 PolarHBondContact O-N 2.64Å; P315-Y318 VanDerWaalsContact O-N 3.09Å; L316-Y318 PolarHBondContact O-N 3.25Å; L316-Y318 VanDerWaalsContact O-N 3.08Å
319	F	91.2	Very high	92.2	Very high	21 Å²	21	46.3 Å²	46.3	9%	0.092	23%	0.228	C	C	.	.	G	3₁₀ helix	trans	-100	4.2	-177.2	-63.5	-89.7	0	0	0	113.8	V314 L316 S317 L321 A322 I326 R327 I330 V382 P384 Y387 F498	V314-F319 HydrophobicContact CG2-CE2 3.58Å; V314-F319 HydrophobicContact CG2-CZ 4.17Å; L316-F319 PolarHBondContact O-N 2.74Å; S317-F319 PolarHBondContact O-N 3.07Å; S317-F319 VanDerWaalsContact O-N 3.17Å; F319-L321 VanDerWaalsContact C-N 3.26Å; F319-L321 PolarHBondContact O-N 3.41Å; F319-A322 HydrophobicContact CB-CB 4.24Å; F319-A322 HydrophobicContact CD1-CB 4.35Å; F319-A322 WeakPolarHBondContact O-CB 3.38Å; F319-A322 PolarHBondContact O-N 3.26Å; F319-I326 HydrophobicContact CD1-CG2 3.99Å; F319-R327 VanDerWaalsContact O-CD 3.3Å; F319-R327 WeakPolarHBondContact O-CD 3.44Å; F319-R327 WeakPolarHBondContact O-CG 3.48Å; F319-I330 HydrophobicContact CB-CD1 3.65Å; F319-I330 HydrophobicContact CD1-CD1 3.47Å; F319-I330 VanDerWaalsContact CD1-CD1 3.47Å; F319-I330 HydrophobicContact CD2-CD1 4.09Å; F319-I330 HydrophobicContact CE1-CD1 4.12Å; F319-I330 HydrophobicContact CG-CD1 3.45Å; F319-I330 VanDerWaalsContact CG-CD1 3.45Å; F319-V382 HydrophobicContact CD2-CB 3.98Å; F319-V382 HydrophobicContact CD2-CG1 4.07Å; F319-V382 HydrophobicContact CD2-CG2 4.31Å; F319-V382 HydrophobicContact CE1-CG1 4.36Å; F319-V382 HydrophobicContact CE2-CB 3.5Å; F319-V382 HydrophobicContact CE2-CG1 3.58Å; F319-V382 HydrophobicContact CE2-CG2 4.3Å; F319-V382 HydrophobicContact CZ-CB 4.12Å; F319-V382 HydrophobicContact CZ-CG1 3.73Å; F319-P384 HydrophobicContact CZ-CB 4.14Å; F319-Y387 HydrophobicContact CE1-CD1 4.08Å; F319-Y387 HydrophobicContact CE1-CE1 4.04Å; F319-F498 HydrophobicContact CB-CE2 4.16Å
320	C	87	Confident	92.3	Very high	13 Å²	13	46.3 Å²	46.3	9%	0.088	23%	0.228	C	C	.	.	T	Hydrogen-bonded Turn	trans	-66.1	-28.3	-176.8	-69.6	0	0	0	0	114.3	S317 C495	S317-C320 PolarHBondContact O-N 3.47Å; C320-C495 HydrophobicContact CB-CB 3.44Å; C320-C495 VanDerWaalsContact CB-CB 3.44Å; C320-C495 WeakPolarHBondContact CB-SG 3.19Å; C320-C495 WeakPolarHBondContact SG-CB 3.37Å; C320-C495 CovalentContact SG-SG 1.98Å; C320-C495 PolarHBondContact SG-SG 3.46Å
321	L	87.8	Confident	92.4	Very high	170 Å²	170	43 Å²	43	89%	0.89	21%	0.213	S	C	*	.	T	Hydrogen-bonded Turn	trans	-96.6	7.6	173.7	-57.7	-179.3	0	0	0	112.7	F319	F319-L321 VanDerWaalsContact C-N 3.26Å; F319-L321 PolarHBondContact O-N 3.41Å
322	A	92.1	Very high	92.5	Very high	18 Å²	18	42 Å²	42	15%	0.149	21%	0.21	C	C	.	.	S	Bend	trans	-69.8	152.9	177.5	0	0	0	0	0	111.2	F319 I326 R327	F319-A322 HydrophobicContact CB-CB 4.24Å; F319-A322 HydrophobicContact CD1-CB 4.35Å; F319-A322 WeakPolarHBondContact O-CB 3.38Å; F319-A322 PolarHBondContact O-N 3.26Å; A322-I326 HydrophobicContact CB-CB 4.17Å; A322-I326 HydrophobicContact CB-CG2 3.98Å; A322-R327 HydrophobicContact CB-CG 4.11Å; A322-R327 WeakPolarHBondContact O-CD 3.39Å; A322-R327 PolarHBondContact O-NE 2.86Å; A322-R327 VanDerWaalsContact O-NE 3.08Å
323	P	94.3	Very high	92.7	Very high	72 Å²	72	42.5 Å²	42.5	47%	0.468	21%	0.214	S	C	.	.			trans	-46.1	145.9	169.6	-29.7	33.8	0	0	0	113.1	W325 I326 R327	P323-W325 VanDerWaalsContact C-N 3.28Å; P323-W325 PolarHBondContact O-N 3.27Å; P323-I326 HydrophobicContact CG-CD1 4.37Å; P323-I326 PolarHBondContact O-N 3Å; P323-R327 PolarHBondContact O-N 3.49Å
324	L	94.5	Very high	92.9	Very high	67 Å²	67	42.3 Å²	42.3	35%	0.351	21%	0.212	S	C	.	.	H	α-helix	trans	-52.2	-44.7	-175.7	177.2	61.8	0	0	0	112.6	I326 R327 L328 I502	L324-I326 VanDerWaalsContact C-N 3.31Å; L324-I326 PolarHBondContact O-N 3.18Å; L324-R327 PolarHBondContact O-N 3.03Å; L324-R327 VanDerWaalsContact O-N 3.11Å; L324-L328 HydrophobicContact CD1-CD1 4.26Å; L324-L328 HydrophobicContact CD1-CD2 4.37Å; L324-L328 HydrophobicContact CD1-CG 3.99Å; L324-L328 HydrophobicContact CD2-CD1 4.47Å; L324-L328 HydrophobicContact CG-CD1 3.95Å; L324-L328 HydrophobicContact CG-CG 4.13Å; L324-L328 WeakPolarHBondContact O-CB 3.34Å; L324-L328 WeakPolarHBondContact O-CG 3.4Å; L324-L328 PolarHBondContact O-N 2.84Å; L324-I502 HydrophobicContact CD1-CD1 3.72Å
325	W	94.4	Very high	93.2	Very high	137 Å²	137	41.1 Å²	41.1	52%	0.519	20%	0.204	S	C	.	.	H	α-helix	trans	-61.1	-36.1	-178.9	69.9	-94	0	0	0	113	P323 L328 Q329 Y387	P323-W325 VanDerWaalsContact C-N 3.28Å; P323-W325 PolarHBondContact O-N 3.27Å; W325-L328 PolarHBondContact O-N 3.16Å; W325-Q329 WeakPolarHBondContact O-CB 3.45Å; W325-Q329 PolarHBondContact O-N 3.07Å; W325-Y387 HydrophobicContact CH2-CE2 4.35Å; W325-Y387 HydrophobicContact CZ3-CE2 4.18Å
326	I	95.4	Very high	93.6	Very high	18 Å²	18	41 Å²	41	9%	0.092	20%	0.204	C	C	.	.	H	α-helix	trans	-66.9	-45.5	174.1	-66.8	180	0	0	0	110	F319 A322 P323 L324 L328 Q329 I330 Y387	F319-I326 HydrophobicContact CD1-CG2 3.99Å; A322-I326 HydrophobicContact CB-CB 4.17Å; A322-I326 HydrophobicContact CB-CG2 3.98Å; P323-I326 HydrophobicContact CG-CD1 4.37Å; P323-I326 PolarHBondContact O-N 3Å; L324-I326 VanDerWaalsContact C-N 3.31Å; L324-I326 PolarHBondContact O-N 3.18Å; I326-L328 VanDerWaalsContact C-N 3.31Å; I326-L328 PolarHBondContact O-N 3.44Å; I326-Q329 PolarHBondContact O-N 3.36Å; I326-I330 HydrophobicContact CG2-CD1 3.76Å; I326-I330 HydrophobicContact CG2-CG1 4.43Å; I326-I330 WeakPolarHBondContact O-CG1 3.32Å; I326-I330 PolarHBondContact O-N 2.7Å; I326-Y387 HydrophobicContact CD1-CE1 4.42Å; I326-Y387 WeakPolarHBondContact CD1-OH 3.47Å; I326-Y387 HydrophobicContact CG1-CE2 4.46Å; I326-Y387 HydrophobicContact CG2-CD1 4.01Å; I326-Y387 HydrophobicContact CG2-CE1 3.77Å
327	R	95.4	Very high	93.9	Very high	9 Å²	9	41 Å²	41	3%	0.034	20%	0.204	C	C	.	.	H	α-helix	trans	-64	-37.6	178.8	-63.7	-170	-68.1	130.1	-5.5	111.7	F319 A322 P323 L324 I330 L331 F498 Y500	F319-R327 VanDerWaalsContact O-CD 3.3Å; F319-R327 WeakPolarHBondContact O-CD 3.44Å; F319-R327 WeakPolarHBondContact O-CG 3.48Å; A322-R327 HydrophobicContact CB-CG 4.11Å; A322-R327 WeakPolarHBondContact O-CD 3.39Å; A322-R327 PolarHBondContact O-NE 2.86Å; A322-R327 VanDerWaalsContact O-NE 3.08Å; P323-R327 PolarHBondContact O-N 3.49Å; L324-R327 PolarHBondContact O-N 3.03Å; L324-R327 VanDerWaalsContact O-N 3.11Å; R327-I330 PolarHBondContact O-N 2.95Å; R327-L331 WeakPolarHBondContact O-CB 3.37Å; R327-L331 VanDerWaalsContact O-CG 3.27Å; R327-L331 WeakPolarHBondContact O-CG 3.46Å; R327-L331 PolarHBondContact O-N 3.36Å; R327-F498 HydrophobicContact CB-CE2 4.26Å; R327-F498 HydrophobicContact CB-CZ 4.11Å; R327-F498 HydrophobicContact CG-CE2 3.98Å; R327-F498 HydrophobicContact CG-CZ 4.33Å; R327-F498 PolarHBondContact NH1-O 3.19Å; R327-Y500 VanDerWaalsContact CZ-O 3.29Å; R327-Y500 PolarHBondContact NH1-O 2.89Å; R327-Y500 PolarHBondContact NH2-O 3.4Å
328	L	96.7	Very high	94.4	Very high	2 Å²	2	39.8 Å²	39.8	1%	0.01	20%	0.195	C	C	.	.	H	α-helix	trans	-64.1	-44.4	172.7	-71.1	178.9	0	0	0	111.7	L324 W325 I326 I330 L331 L332 I502 L506 I533 N536 I537	L324-L328 HydrophobicContact CD1-CD1 4.26Å; L324-L328 HydrophobicContact CD1-CD2 4.37Å; L324-L328 HydrophobicContact CD1-CG 3.99Å; L324-L328 HydrophobicContact CD2-CD1 4.47Å; L324-L328 HydrophobicContact CG-CD1 3.95Å; L324-L328 HydrophobicContact CG-CG 4.13Å; L324-L328 WeakPolarHBondContact O-CB 3.34Å; L324-L328 WeakPolarHBondContact O-CG 3.4Å; L324-L328 PolarHBondContact O-N 2.84Å; W325-L328 PolarHBondContact O-N 3.16Å; I326-L328 VanDerWaalsContact C-N 3.31Å; I326-L328 PolarHBondContact O-N 3.44Å; L328-I330 PolarHBondContact O-N 3.1Å; L328-L331 HydrophobicContact CD2-CD1 4.46Å; L328-L331 WeakPolarHBondContact O-CB 3.22Å; L328-L331 PolarHBondContact O-N 3.42Å; L328-L332 PolarHBondContact O-N 3.26Å; L328-I502 HydrophobicContact CD2-CD1 3.99Å; L328-L506 HydrophobicContact CD2-CD2 3.66Å; L328-I533 HydrophobicContact CB-CG2 4.04Å; L328-I533 HydrophobicContact CD2-CG1 4.22Å; L328-I533 WeakPolarHBondContact O-CG2 3.49Å; L328-N536 HydrophobicContact CD1-CB 4.19Å; L328-I537 HydrophobicContact CB-CD1 3.98Å; L328-I537 HydrophobicContact CB-CG1 3.81Å; L328-I537 HydrophobicContact CD1-CG1 4.41Å
329	Q	96.5	Very high	94.6	Very high	56 Å²	56	36.9 Å²	36.9	26%	0.262	19%	0.188	S	C	.	.	H	α-helix	trans	-60.5	-44.5	175.8	-178.5	63	16.6	0	0	111.8	W325 I326 L332 N333 Y387 I537	W325-Q329 WeakPolarHBondContact O-CB 3.45Å; W325-Q329 PolarHBondContact O-N 3.07Å; I326-Q329 PolarHBondContact O-N 3.36Å; Q329-L332 WeakPolarHBondContact O-CB 3.45Å; Q329-L332 PolarHBondContact O-N 3.2Å; Q329-N333 PolarHBondContact O-N 2.75Å; Q329-N333 VanDerWaalsContact O-N 3.12Å; Q329-Y387 HydrophobicContact CG-CD2 4.16Å; Q329-I537 HydrophobicContact CB-CD1 4.16Å
330	I	96.8	Very high	94.7	Very high	0 Å²	0	39.9 Å²	39.9	0%	0	20%	0.201	C	C	.	.	H	α-helix	trans	-64.2	-43.2	175.8	-65.9	165.3	0	0	0	110.8	L316 F319 I326 R327 L328 L332 N333 I334 V382 Y387 V389 F498	L316-I330 HydrophobicContact CD1-CG2 3.46Å; L316-I330 VanDerWaalsContact CD1-CG2 3.46Å; F319-I330 HydrophobicContact CB-CD1 3.65Å; F319-I330 HydrophobicContact CD1-CD1 3.47Å; F319-I330 VanDerWaalsContact CD1-CD1 3.47Å; F319-I330 HydrophobicContact CD2-CD1 4.09Å; F319-I330 HydrophobicContact CE1-CD1 4.12Å; F319-I330 HydrophobicContact CG-CD1 3.45Å; F319-I330 VanDerWaalsContact CG-CD1 3.45Å; I326-I330 HydrophobicContact CG2-CD1 3.76Å; I326-I330 HydrophobicContact CG2-CG1 4.43Å; I326-I330 WeakPolarHBondContact O-CG1 3.32Å; I326-I330 PolarHBondContact O-N 2.7Å; R327-I330 PolarHBondContact O-N 2.95Å; L328-I330 PolarHBondContact O-N 3.1Å; I330-L332 VanDerWaalsContact C-N 3.31Å; I330-L332 PolarHBondContact O-N 3.45Å; I330-N333 PolarHBondContact O-N 3.18Å; I330-I334 HydrophobicContact CG2-CD1 3.94Å; I330-I334 HydrophobicContact CG2-CG1 4.35Å; I330-I334 WeakPolarHBondContact O-CG1 3.45Å; I330-I334 PolarHBondContact O-N 3.35Å; I330-V382 HydrophobicContact CD1-CG1 3.91Å; I330-V382 HydrophobicContact CG1-CG1 3.94Å; I330-V382 HydrophobicContact CG2-CG2 4.06Å; I330-Y387 HydrophobicContact CD1-CD1 4.45Å; I330-Y387 HydrophobicContact CG1-CD1 4.44Å; I330-Y387 HydrophobicContact CG1-CG 4.47Å; I330-V389 HydrophobicContact CG2-CG2 4.16Å; I330-F498 HydrophobicContact CB-CZ 4.18Å; I330-F498 HydrophobicContact CG2-CZ 3.93Å
331	L	96.8	Very high	95.1	Very high	1 Å²	1	39.3 Å²	39.3	1%	0.005	20%	0.197	C	C	.	.	H	α-helix	trans	-58.6	-42.7	175	-79.6	171.2	0	0	0	111.6	R327 L328 N333 I334 L335 L481 F498 L499 I502 L506 I533	R327-L331 WeakPolarHBondContact O-CB 3.37Å; R327-L331 VanDerWaalsContact O-CG 3.27Å; R327-L331 WeakPolarHBondContact O-CG 3.46Å; R327-L331 PolarHBondContact O-N 3.36Å; L328-L331 HydrophobicContact CD2-CD1 4.46Å; L328-L331 WeakPolarHBondContact O-CB 3.22Å; L328-L331 PolarHBondContact O-N 3.42Å; L331-N333 VanDerWaalsContact C-N 3.29Å; L331-N333 PolarHBondContact O-N 2.88Å; L331-I334 PolarHBondContact O-N 3.06Å; L331-L335 WeakPolarHBondContact O-CB 3.28Å; L331-L335 VanDerWaalsContact O-CG 3.22Å; L331-L335 WeakPolarHBondContact O-CG 3.37Å; L331-L335 PolarHBondContact O-N 3.21Å; L331-L481 HydrophobicContact CD2-CD1 3.96Å; L331-L481 HydrophobicContact CD2-CD2 3.81Å; L331-F498 HydrophobicContact CD1-CE1 4.45Å; L331-F498 HydrophobicContact CD2-CD1 4.08Å; L331-F498 HydrophobicContact CD2-CE1 3.61Å; L331-F498 HydrophobicContact CG-CD1 4.48Å; L331-F498 HydrophobicContact CG-CE1 3.67Å; L331-F498 HydrophobicContact CG-CZ 4.43Å; L331-L499 HydrophobicContact CD1-CD2 4.06Å; L331-L499 HydrophobicContact CD2-CD2 3.81Å; L331-I502 HydrophobicContact CD1-CD1 3.59Å; L331-I502 HydrophobicContact CD1-CG1 4.16Å; L331-L506 HydrophobicContact CD1-CD2 4.24Å; L331-I533 HydrophobicContact CB-CD1 3.98Å
332	L	97.4	Very high	95.2	Very high	25 Å²	25	32.6 Å²	32.6	13%	0.131	16%	0.161	C	C	.	.	H	α-helix	trans	-58.7	-44.5	176.4	-176	61.4	0	0	0	111.2	L328 Q329 I330 L335 S336 R530 I533 K534	L328-L332 PolarHBondContact O-N 3.26Å; Q329-L332 WeakPolarHBondContact O-CB 3.45Å; Q329-L332 PolarHBondContact O-N 3.2Å; I330-L332 VanDerWaalsContact C-N 3.31Å; I330-L332 PolarHBondContact O-N 3.45Å; L332-L335 PolarHBondContact O-N 2.84Å; L332-S336 PolarHBondContact O-N 3.44Å; L332-S336 VanDerWaalsContact O-N 3.16Å; L332-R530 HydrophobicContact CD1-CB 3.88Å; L332-R530 HydrophobicContact CD1-CG 4.02Å; L332-I533 HydrophobicContact CB-CG2 3.9Å; L332-I533 HydrophobicContact CD1-CG2 4.45Å; L332-I533 HydrophobicContact CD2-CG2 4.48Å; L332-K534 HydrophobicContact CD1-CG 4.28Å; L332-K534 HydrophobicContact CD2-CG 4.01Å
333	N	96.9	Very high	94.7	Very high	27 Å²	27	33.1 Å²	33.1	14%	0.144	16%	0.16	C	C	.	.	H	α-helix	trans	-65.9	-42.2	177.8	-73.7	-14	0	0	0	111.9	Q329 I330 L331 S336 Y387 V389	Q329-N333 PolarHBondContact O-N 2.75Å; Q329-N333 VanDerWaalsContact O-N 3.12Å; I330-N333 PolarHBondContact O-N 3.18Å; L331-N333 VanDerWaalsContact C-N 3.29Å; L331-N333 PolarHBondContact O-N 2.88Å; N333-S336 PolarHBondContact O-N 2.9Å; N333-S336 PolarHBondContact O-OG 2.81Å; N333-Y387 PolarHBondContact ND2-O 2.86Å; N333-V389 HydrophobicContact CB-CB 4.31Å; N333-V389 HydrophobicContact CB-CG2 3.61Å
334	I	97.1	Very high	93.4	Very high	0 Å²	0	35.6 Å²	35.6	0%	0	17%	0.166	C	C	.	.	H	α-helix	trans	-59	-48.6	173.2	-69.8	171.9	0	0	0	110.6	L316 I330 L331 S336 L337 F380 V389 I477 L481 F498	L316-I334 HydrophobicContact CD1-CD1 4.13Å; L316-I334 HydrophobicContact CD2-CD1 3.74Å; I330-I334 HydrophobicContact CG2-CD1 3.94Å; I330-I334 HydrophobicContact CG2-CG1 4.35Å; I330-I334 WeakPolarHBondContact O-CG1 3.45Å; I330-I334 PolarHBondContact O-N 3.35Å; L331-I334 PolarHBondContact O-N 3.06Å; I334-S336 PolarHBondContact O-N 3.24Å; I334-S336 VanDerWaalsContact O-N 3.15Å; I334-L337 WeakPolarHBondContact O-CB 3.4Å; I334-L337 WeakPolarHBondContact O-CG 3.42Å; I334-L337 PolarHBondContact O-N 2.85Å; I334-L337 VanDerWaalsContact O-N 3.07Å; I334-F380 HydrophobicContact CD1-CD2 4.3Å; I334-F380 HydrophobicContact CG2-CE2 4.25Å; I334-F380 HydrophobicContact CG2-CZ 4.09Å; I334-V389 HydrophobicContact CG1-CB 4.47Å; I334-V389 HydrophobicContact CG1-CG1 3.99Å; I334-V389 HydrophobicContact CG1-CG2 3.94Å; I334-I477 HydrophobicContact CG2-CG2 3.49Å; I334-I477 VanDerWaalsContact CG2-CG2 3.49Å; I334-I477 WeakPolarHBondContact O-CD1 3.33Å; I334-L481 HydrophobicContact CD1-CD2 4.09Å; I334-L481 HydrophobicContact CG2-CD1 4.15Å; I334-L481 HydrophobicContact CG2-CD2 4.46Å; I334-L481 HydrophobicContact CG2-CG 4.5Å; I334-F498 HydrophobicContact CD1-CE1 4.49Å
335	L	97.1	Very high	91.8	Very high	2 Å²	2	32.6 Å²	32.6	1%	0.01	15%	0.15	C	C	.	.	H	α-helix	trans	-67.5	-13.4	-178.5	-67	177	0	0	0	113.7	L331 L332 I477 L481 I526 A529 R530 I533	L331-L335 WeakPolarHBondContact O-CB 3.28Å; L331-L335 VanDerWaalsContact O-CG 3.22Å; L331-L335 WeakPolarHBondContact O-CG 3.37Å; L331-L335 PolarHBondContact O-N 3.21Å; L332-L335 PolarHBondContact O-N 2.84Å; L335-I477 HydrophobicContact CD2-CG2 4.19Å; L335-L481 HydrophobicContact CD2-CD1 4.43Å; L335-I526 HydrophobicContact CB-CG2 4.47Å; L335-I526 HydrophobicContact CD2-CD1 4.07Å; L335-I526 HydrophobicContact CD2-CG1 4.3Å; L335-A529 HydrophobicContact CD1-CB 3.93Å; L335-R530 HydrophobicContact CB-CG 3.94Å; L335-R530 HydrophobicContact CD1-CG 4.27Å; L335-I533 HydrophobicContact CD1-CD1 3.74Å
336	S	95.6	Very high	89.8	Confident	23 Å²	23	28.3 Å²	28.3	16%	0.161	14%	0.141	C	C	.	.	H	α-helix	trans	-87.4	-14.2	173.6	77.2	0	0	0	0	114	L332 N333 I334 E339	L332-S336 PolarHBondContact O-N 3.44Å; L332-S336 VanDerWaalsContact O-N 3.16Å; N333-S336 PolarHBondContact O-N 2.9Å; N333-S336 PolarHBondContact O-OG 2.81Å; I334-S336 PolarHBondContact O-N 3.24Å; I334-S336 VanDerWaalsContact O-N 3.15Å; S336-E339 PolarHBondContact O-N 3.03Å
337	L	96.1	Very high	87.6	Confident	1 Å²	1	30.6 Å²	30.6	1%	0.005	15%	0.154	C	C	.	.	H	α-helix	trans	-60.5	-35.2	-175.9	-66.7	174.7	0	0	0	115.3	P295 I334 E339 K340 L341 F380 V389 I391 I477	P295-L337 HydrophobicContact CB-CD2 3.77Å; P295-L337 HydrophobicContact CG-CD2 4.24Å; I334-L337 WeakPolarHBondContact O-CB 3.4Å; I334-L337 WeakPolarHBondContact O-CG 3.42Å; I334-L337 PolarHBondContact O-N 2.85Å; I334-L337 VanDerWaalsContact O-N 3.07Å; L337-E339 PolarHBondContact O-N 2.72Å; L337-K340 HydrophobicContact CD2-CD 4.47Å; L337-K340 PolarHBondContact O-N 2.86Å; L337-L341 WeakPolarHBondContact O-CG 3.3Å; L337-L341 PolarHBondContact O-N 3.36Å; L337-L341 VanDerWaalsContact O-N 3.13Å; L337-F380 HydrophobicContact CD1-CD1 3.8Å; L337-F380 HydrophobicContact CD1-CE1 3.36Å; L337-F380 HydrophobicContact CD1-CZ 4.31Å; L337-V389 HydrophobicContact CD1-CG1 3.95Å; L337-I391 HydrophobicContact CB-CD1 4.45Å; L337-I391 HydrophobicContact CD1-CD1 4.17Å; L337-I391 HydrophobicContact CD1-CG1 3.94Å; L337-I391 HydrophobicContact CD2-CD1 4.38Å; L337-I391 HydrophobicContact CD2-CG1 4.32Å; L337-I477 HydrophobicContact CB-CD1 3.9Å
338	P	95.4	Very high	85.3	Confident	5 Å²	5	36.2 Å²	36.2	3%	0.032	18%	0.18	C	C	.	.	H	α-helix	trans	-56.3	-39.1	179.3	-28.2	38	0	0	0	113	K340 L341 E342 N473 I474 I477	P338-K340 VanDerWaalsContact C-N 3.31Å; P338-K340 PolarHBondContact O-N 3.38Å; P338-L341 PolarHBondContact O-N 3.16Å; P338-E342 PolarHBondContact O-N 2.88Å; P338-N473 HydrophobicContact CB-CB 4.16Å; P338-N473 HydrophobicContact CG-CB 4.48Å; P338-I474 HydrophobicContact CB-CG1 3.85Å; P338-I474 HydrophobicContact CG-CG1 3.87Å; P338-I477 VanDerWaalsContact CD-CD1 3.44Å; P338-I477 HydrophobicContact CG-CD1 3.51Å
339	E	92	Very high	82.9	Confident	108 Å²	108	43 Å²	43	51%	0.505	22%	0.216	S	C	.	.	H	α-helix	trans	-66	-35	177.7	-64.4	169.4	173	0	0	111.6	S336 L337 L341 E342 R530	S336-E339 PolarHBondContact O-N 3.03Å; L337-E339 PolarHBondContact O-N 2.72Å; E339-L341 VanDerWaalsContact C-N 3.27Å; E339-L341 PolarHBondContact O-N 3.42Å; E339-E342 PolarHBondContact O-N 2.8Å; E339-R530 IonicContact OE1-CZ 3.21Å; E339-R530 IonicContact OE1-NH1 2.73Å; E339-R530 PolarHBondContact OE1-NH1 2.96Å; E339-R530 IonicContact OE1-NH2 2.8Å; E339-R530 PolarHBondContact OE1-NH2 2.93Å; E339-R530 IonicContact OE2-NH1 3.06Å; E339-R530 PolarHBondContact OE2-NH1 3.05Å
340	K	93.3	Very high	80.1	Confident	84 Å²	84	45.9 Å²	45.9	37%	0.365	23%	0.233	S	C	.	.	H	α-helix	trans	-75.4	-14.6	176.5	-59.1	-173.8	-178.2	179.6	0	113.4	P295 L337 P338 H343	P295-K340 HydrophobicContact CB-CB 4.37Å; P295-K340 HydrophobicContact CB-CD 4.16Å; P295-K340 HydrophobicContact CG-CB 4.01Å; L337-K340 HydrophobicContact CD2-CD 4.47Å; L337-K340 PolarHBondContact O-N 2.86Å; P338-K340 VanDerWaalsContact C-N 3.31Å; P338-K340 PolarHBondContact O-N 3.38Å; K340-H343 PolarHBondContact O-CE1 2.83Å; K340-H343 PolarHBondContact O-ND1 2.88Å
341	L	95.1	Very high	77.5	Confident	0 Å²	0	54 Å²	54	0%	0	27%	0.27	C	S	.	.	H	α-helix	trans	-96.7	-9	178.2	-71.2	173.4	0	0	0	113.1	P295 F296 L337 P338 E339 T368 I369 L371 I391 N473	P295-L341 HydrophobicContact CG-CD2 4.07Å; P295-L341 HydrophobicContact CG-CG 4.41Å; F296-L341 HydrophobicContact CE1-CD2 3.73Å; F296-L341 HydrophobicContact CZ-CD2 3.71Å; L337-L341 WeakPolarHBondContact O-CG 3.3Å; L337-L341 PolarHBondContact O-N 3.36Å; L337-L341 VanDerWaalsContact O-N 3.13Å; P338-L341 PolarHBondContact O-N 3.16Å; E339-L341 VanDerWaalsContact C-N 3.27Å; E339-L341 PolarHBondContact O-N 3.42Å; L341-T368 WeakPolarHBondContact O-CA 3.49Å; L341-I369 HydrophobicContact CD2-CB 4.24Å; L341-I369 PolarHBondContact O-N 2.71Å; L341-L371 HydrophobicContact CD1-CD1 3.97Å; L341-L371 HydrophobicContact CD1-CD2 4Å; L341-L371 HydrophobicContact CD1-CG 3.83Å; L341-I391 HydrophobicContact CD1-CD1 3.71Å; L341-I391 HydrophobicContact CD2-CD1 3.91Å; L341-I391 HydrophobicContact CG-CD1 4.04Å; L341-N473 WeakPolarHBondContact CB-ND2 3.31Å; L341-N473 HydrophobicContact CD1-CB 4.38Å
342	E	90.7	Very high	74.7	Confident	30 Å²	30	61.4 Å²	61.4	14%	0.14	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.8	85.9	-177.8	-73.3	173.6	-159.4	0	0	109.2	P338 E339 Q344 T368 R523	P338-E342 PolarHBondContact O-N 2.88Å; E339-E342 PolarHBondContact O-N 2.8Å; E342-Q344 PolarHBondContact O-N 2.88Å; E342-T368 HydrophobicContact CG-CG2 3.69Å; E342-R523 IonicContact OE1-NH2 3.4Å; E342-R523 IonicContact OE2-CZ 3.79Å; E342-R523 IonicContact OE2-NH1 3.79Å; E342-R523 PolarHBondContact OE2-NH1 3.05Å; E342-R523 IonicContact OE2-NH2 2.69Å; E342-R523 PolarHBondContact OE2-NH2 3.33Å
343	H	81.8	Confident	72	Confident	29 Å²	29	64.2 Å²	64.2	13%	0.134	33%	0.332	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.3	100.1	176.7	-75.5	81.4	0	0	0	110.1	W294 K340 G366 Y367	W294-H343 AromaticContact CD2-CE1 3.77Å; W294-H343 AromaticContact CD2-ND1 3.87Å; W294-H343 AromaticContact CE2-CE1 3.75Å; W294-H343 AromaticContact CE2-ND1 3.56Å; W294-H343 AromaticContact CE3-CE1 3.96Å; W294-H343 AromaticContact CE3-ND1 3.87Å; W294-H343 HydrophobicContact CH2-CB 4.3Å; W294-H343 AromaticContact CH2-ND1 3.32Å; W294-H343 VanDerWaalsContact CH2-ND1 3.32Å; W294-H343 WeakPolarHBondContact CH2-ND1 3.26Å; W294-H343 HydrophobicContact CZ2-CB 4.12Å; W294-H343 AromaticContact CZ2-CE1 3.97Å; W294-H343 AromaticContact CZ2-CG 3.81Å; W294-H343 AromaticContact CZ2-ND1 3.29Å; W294-H343 VanDerWaalsContact CZ2-ND1 3.29Å; W294-H343 WeakPolarHBondContact CZ2-ND1 3.12Å; W294-H343 AromaticContact CZ3-ND1 3.6Å; K340-H343 PolarHBondContact O-CE1 2.83Å; K340-H343 PolarHBondContact O-ND1 2.88Å; H343-G366 WeakPolarHBondContact O-CA 3.26Å; H343-G366 PolarHBondContact O-N 2.79Å; H343-Y367 PolarHBondContact N-O 3.43Å; H343-Y367 PolarHBondContact O-N 2.78Å
344	Q	67.3	Low	69.3	Low	123 Å²	123	72 Å²	72	58%	0.575	37%	0.365	S	S	*	.			trans	-60.6	149.4	177	-70	-179	-30.7	0	0	111.8	E342 H365	E342-Q344 PolarHBondContact O-N 2.88Å; Q344-H365 WeakPolarHBondContact O-CB 3.39Å
345	S	59.2	Low	66.9	Low	4 Å²	4	78.7 Å²	78.7	3%	0.028	40%	0.399	C	S	.	.			trans	-63.2	135.2	174.7	50.3	0	0	0	0	110.4	D347 E348	S345-D347 PolarHBondContact O-N 3.4Å; S345-E348 PolarHBondContact O-N 3.43Å
346	S	52.3	Low	64.4	Low	47 Å²	47	87.9 Å²	87.9	33%	0.329	44%	0.442	S	S	.	.	G	3₁₀ helix	trans	-56.8	-14.5	175.1	52.8	0	0	0	0	114.1	E348 L349	S346-E348 VanDerWaalsContact C-N 3.25Å; S346-E348 PolarHBondContact O-N 3.08Å; S346-L349 PolarHBondContact O-N 2.77Å; S346-L349 VanDerWaalsContact O-N 3.16Å
347	D	49.2	Very low	61.9	Low	67 Å²	67	91.6 Å²	91.6	36%	0.358	46%	0.46	S	S	.	.	G	3₁₀ helix	trans	-70.9	-14.7	178.6	-65.3	-22.5	0	0	0	114.2	S345 L349 K360 Q403	S345-D347 PolarHBondContact O-N 3.4Å; D347-L349 VanDerWaalsContact C-N 3.29Å; D347-K360 WeakPolarHBondContact OD1-CE 3.27Å; D347-K360 IonicContact OD1-NZ 2.87Å; D347-K360 PolarHBondContact OD1-NZ 3.46Å; D347-K360 WeakPolarHBondContact OD2-CE 3.27Å; D347-K360 IonicContact OD2-NZ 2.68Å; D347-K360 PolarHBondContact OD2-NZ 3.28Å; D347-Q403 PolarHBondContact OD2-NE2 3.41Å
348	E	47.5	Very low	59.4	Low	126 Å²	126	99.6 Å²	99.6	59%	0.589	50%	0.499	S	S	*	.	G	3₁₀ helix	trans	-82.1	-7.8	171.4	-71.4	-169.9	151.1	0	0	112.9	S345 S346	S345-E348 PolarHBondContact O-N 3.43Å; S346-E348 VanDerWaalsContact C-N 3.25Å; S346-E348 PolarHBondContact O-N 3.08Å
349	L	46.3	Very low	57.1	Low	144 Å²	144	105.9 Å²	105.9	75%	0.754	53%	0.528	S	S	*	.	S	Bend	trans	-105	-11	-177.8	-84.4	143.3	0	0	0	114.8	S346 D347	S346-L349 PolarHBondContact O-N 2.77Å; S346-L349 VanDerWaalsContact O-N 3.16Å; D347-L349 VanDerWaalsContact C-N 3.29Å
350	N	37.2	Very low	55	Low	117 Å²	117	105.4 Å²	105.4	63%	0.626	52%	0.524	S	S	*	.			trans	-147.1	95.8	176.6	-80.5	-39.1	0	0	0	111.5	D352	N350-D352 PolarHBondContact O-N 3.27Å
351	H	42.4	Very low	53	Low	170 Å²	170	106.2 Å²	106.2	79%	0.787	53%	0.529	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73.7	-1.6	172.7	-153.5	18.9	0	0	0	113.2
352	D	39.8	Very low	50.8	Low	158 Å²	158	110 Å²	110	85%	0.845	55%	0.549	S	S	*	.	T	Hydrogen-bonded Turn	trans	-111.9	8.2	-166.6	-77.1	-15.8	0	0	0	116.2	N350	N350-D352 PolarHBondContact O-N 3.27Å
353	S	40.7	Very low	49.4	Very low	84 Å²	84	109.8 Å²	109.8	59%	0.587	55%	0.551	S	S	*	*			trans	-122.1	79.7	176.3	74.2	0	0	0	0	113.3	I355	S353-I355 PolarHBondContact O-N 2.95Å
354	F	38.8	Very low	48.6	Very low	189 Å²	189	109.4 Å²	109.4	83%	0.829	55%	0.551	S	S	*	*			trans	-71.5	72.6	158.8	-82.3	-93.3	0	0	0	109.9
355	I	46.5	Very low	49.1	Very low	142 Å²	142	107 Å²	107	73%	0.728	54%	0.54	S	S	*	.			trans	-123.8	110.2	159.5	-61.7	-175	0	0	0	106.2	S353 D357	S353-I355 PolarHBondContact O-N 2.95Å; I355-D357 PolarHBondContact O-N 3.02Å
356	H	44.8	Very low	50.5	Low	194 Å²	194	106.8 Å²	106.8	90%	0.898	54%	0.539	S	S	*	.			trans	-62.8	86.8	170.4	-86.8	-76.4	0	0	0	108.9
357	D	42.9	Very low	52.4	Low	101 Å²	101	104.6 Å²	104.6	54%	0.54	52%	0.523	S	S	.	.			trans	-91.1	117.7	171	-155.5	-10.3	0	0	0	109.4	I355 H359 K360	I355-D357 PolarHBondContact O-N 3.02Å; D357-H359 PolarHBondContact O-N 3.34Å; D357-H359 IonicContact OD1-CD2 3.3Å; D357-H359 PolarHBondContact OD1-CD2 3.03Å; D357-H359 VanDerWaalsContact OD1-CD2 3.31Å; D357-H359 IonicContact OD1-CG 3.73Å; D357-K360 PolarHBondContact O-N 3.23Å
358	M	45	Very low	54.6	Low	170 Å²	170	101.7 Å²	101.7	84%	0.837	51%	0.508	S	S	*	.	G	3₁₀ helix	trans	-64.1	-6	-179.1	-148.2	-168.5	166.2	0	0	112.1
359	H	46	Very low	56.9	Low	136 Å²	136	95.7 Å²	95.7	63%	0.63	48%	0.48	S	S	*	.	G	3₁₀ helix	trans	-81.6	-2.9	175.3	-70.4	-60	0	0	0	115.6	D357 H361 N362	D357-H359 PolarHBondContact O-N 3.34Å; D357-H359 IonicContact OD1-CD2 3.3Å; D357-H359 PolarHBondContact OD1-CD2 3.03Å; D357-H359 VanDerWaalsContact OD1-CD2 3.31Å; D357-H359 IonicContact OD1-CG 3.73Å; H359-H361 PolarHBondContact O-N 3.45Å; H359-H361 VanDerWaalsContact O-N 3.15Å; H359-N362 PolarHBondContact O-N 3.23Å
360	K	48.9	Very low	59.3	Low	99 Å²	99	88.9 Å²	88.9	43%	0.43	44%	0.444	S	S	.	.	G	3₁₀ helix	trans	-62.8	-21.1	-179.1	-159.3	171.9	-174.3	173.3	0	114.7	D347 D357 N362 S363	D347-K360 WeakPolarHBondContact OD1-CE 3.27Å; D347-K360 IonicContact OD1-NZ 2.87Å; D347-K360 PolarHBondContact OD1-NZ 3.46Å; D347-K360 WeakPolarHBondContact OD2-CE 3.27Å; D347-K360 IonicContact OD2-NZ 2.68Å; D347-K360 PolarHBondContact OD2-NZ 3.28Å; D357-K360 PolarHBondContact O-N 3.23Å; K360-N362 PolarHBondContact O-N 3.35Å; K360-N362 VanDerWaalsContact O-N 3.14Å; K360-S363 PolarHBondContact O-N 3.17Å
361	H	49.8	Very low	62.1	Low	101 Å²	101	83.4 Å²	83.4	47%	0.468	42%	0.415	S	S	.	.	G	3₁₀ helix	trans	-66.2	-11.4	179.5	-71.9	-86.1	0	0	0	114.7	E246 H359	E246-H361 IonicContact OE2-ND1 2.67Å; H359-H361 PolarHBondContact O-N 3.45Å; H359-H361 VanDerWaalsContact O-N 3.15Å
362	N	50.5	Low	64.4	Low	79 Å²	79	75.4 Å²	75.4	42%	0.422	38%	0.378	S	S	.	.	G	3₁₀ helix	trans	-95.5	-1.1	-179.8	-72.9	-16.2	0	0	0	114.6	K250 H359 K360	K250-N362 WeakPolarHBondContact CE-OD1 3.38Å; K250-N362 PolarHBondContact NZ-OD1 2.8Å; H359-N362 PolarHBondContact O-N 3.23Å; K360-N362 PolarHBondContact O-N 3.35Å; K360-N362 VanDerWaalsContact O-N 3.14Å
363	S	59.6	Low	66.7	Low	26 Å²	26	68 Å²	68	18%	0.182	34%	0.339	C	S	.	.			trans	-78.9	127.4	-173.5	-175.2	0	0	0	0	111.5	R243 K360 H365	R243-S363 PolarHBondContact NH2-O 2.04Å; K360-S363 PolarHBondContact O-N 3.17Å; S363-H365 PolarHBondContact O-N 2.88Å; S363-H365 WeakPolarHBondContact OG-CB 3.34Å; S363-H365 PolarHBondContact OG-CD2 3.36Å; S363-H365 PolarHBondContact OG-N 3.14Å
364	P	65.1	Low	69	Low	21 Å²	21	64 Å²	64	14%	0.136	31%	0.311	C	S	.	.			trans	-72.7	-2	173.8	32.7	-35.7	0	0	0	113.3	E292	E292-P364 HydrophobicContact CB-CG 4.28Å; E292-P364 HydrophobicContact CG-CG 4.3Å; E292-P364 WeakPolarHBondContact OE2-CB 3.46Å; E292-P364 WeakPolarHBondContact OE2-CG 3.4Å
365	H	79.4	Confident	71.1	Confident	72 Å²	72	55.5 Å²	55.5	33%	0.333	27%	0.274	S	S	.	.			trans	-71.7	157.5	176.6	-62.1	-57.2	0	0	0	111.7	R243 Q344 S363	R243-H365 PolarHBondContact NH2-O 3.24Å; Q344-H365 WeakPolarHBondContact O-CB 3.39Å; S363-H365 PolarHBondContact O-N 2.88Å; S363-H365 WeakPolarHBondContact OG-CB 3.34Å; S363-H365 PolarHBondContact OG-CD2 3.36Å; S363-H365 PolarHBondContact OG-N 3.14Å
366	G	87.6	Confident	72.9	Confident	0 Å²	0	48.9 Å²	48.9	0%	0	24%	0.24	C	C	.	.	S	Bend	trans	74.9	29.1	177.4	0	0	0	0	0	113.8	R243 H343 T402 Q403	R243-G366 PolarHBondContact NH1-O 2.9Å; R243-G366 VanDerWaalsContact NH1-O 3.07Å; H343-G366 WeakPolarHBondContact O-CA 3.26Å; H343-G366 PolarHBondContact O-N 2.79Å; G366-T402 WeakPolarHBondContact CA-OG1 3Å; G366-T402 PolarHBondContact O-N 2.79Å; G366-T402 PolarHBondContact O-OG1 2.72Å; G366-Q403 PolarHBondContact O-N 3.48Å
367	Y	92.6	Very high	74.5	Confident	1 Å²	1	41.1 Å²	41.1	0%	0.004	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.7	140.7	168.3	-64.2	-74.7	0	0	0	110.1	R243 L244 H247 F288 H343 I399 V400 D401	R243-Y367 WeakPolarHBondContact CG-OH 3.43Å; R243-Y367 VanDerWaalsContact CZ-CZ 3.43Å; R243-Y367 PolarHBondContact O-OH 2.85Å; R243-Y367 VanDerWaalsContact O-OH 3.07Å; L244-Y367 HydrophobicContact CB-CE1 4.09Å; L244-Y367 HydrophobicContact CD1-CD1 4.17Å; L244-Y367 HydrophobicContact CD1-CE1 3.79Å; H247-Y367 VanDerWaalsContact CB-OH 3.25Å; H247-Y367 WeakPolarHBondContact CB-OH 3.07Å; F288-Y367 AromaticContact CE1-CD2 3.74Å; F288-Y367 HydrophobicContact CE1-CD2 3.74Å; F288-Y367 HydrophobicContact CE1-CE2 4.33Å; F288-Y367 AromaticContact CE1-CG 3.86Å; F288-Y367 HydrophobicContact CE1-CG 3.86Å; F288-Y367 HydrophobicContact CZ-CD1 4.47Å; F288-Y367 HydrophobicContact CZ-CD2 4.35Å; F288-Y367 HydrophobicContact CZ-CG 4.2Å; H343-Y367 PolarHBondContact N-O 3.43Å; H343-Y367 PolarHBondContact O-N 2.78Å; Y367-I399 HydrophobicContact CD1-CG2 4.21Å; Y367-V400 CarbonylContact C-O 3.43Å; Y367-V400 VanDerWaalsContact CA-O 3.32Å; Y367-V400 WeakPolarHBondContact CA-O 3.22Å; Y367-D401 HydrophobicContact CD1-CB 4.07Å; Y367-D401 HydrophobicContact CE1-CB 3.89Å
368	T	94.6	Very high	76.5	Confident	6 Å²	6	36.5 Å²	36.5	4%	0.037	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.9	133.8	169.5	-64.1	0	0	0	0	108.9	L341 E342 Y370 V400 T402	L341-T368 WeakPolarHBondContact O-CA 3.49Å; E342-T368 HydrophobicContact CG-CG2 3.69Å; T368-Y370 HydrophobicContact CG2-CD1 4.06Å; T368-Y370 HydrophobicContact CG2-CD2 4.37Å; T368-Y370 HydrophobicContact CG2-CE1 3.54Å; T368-Y370 HydrophobicContact CG2-CE2 3.92Å; T368-Y370 HydrophobicContact CG2-CG 4.44Å; T368-Y370 VanDerWaalsContact CG2-CZ 3.46Å; T368-V400 PolarHBondContact N-O 3.32Å; T368-V400 PolarHBondContact O-N 3.19Å; T368-T402 WeakPolarHBondContact OG1-CG2 3.48Å
369	I	96.3	Very high	78.6	Confident	0 Å²	0	28.4 Å²	28.4	0%	0	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.6	113.1	177.7	-59.8	179.6	0	0	0	108.7	I284 F288 W294 F296 L341 A397 I398 I399 N473	I284-I369 HydrophobicContact CG2-CD1 4.31Å; F288-I369 HydrophobicContact CB-CD1 4.13Å; F288-I369 HydrophobicContact CD1-CD1 4.17Å; F288-I369 HydrophobicContact CD2-CD1 3.72Å; F288-I369 HydrophobicContact CE2-CD1 4.15Å; F288-I369 HydrophobicContact CG-CD1 3.73Å; W294-I369 HydrophobicContact CD2-CD1 4.49Å; W294-I369 HydrophobicContact CE3-CD1 3.82Å; W294-I369 HydrophobicContact CE3-CG1 4.5Å; W294-I369 HydrophobicContact CH2-CD1 3.85Å; W294-I369 HydrophobicContact CH2-CG1 3.92Å; W294-I369 HydrophobicContact CZ3-CB 4.12Å; W294-I369 HydrophobicContact CZ3-CD1 3.47Å; W294-I369 VanDerWaalsContact CZ3-CD1 3.47Å; W294-I369 HydrophobicContact CZ3-CG1 3.68Å; F296-I369 HydrophobicContact CE2-CD1 3.68Å; F296-I369 HydrophobicContact CZ-CD1 3.77Å; F296-I369 HydrophobicContact CZ-CG2 4.34Å; L341-I369 HydrophobicContact CD2-CB 4.24Å; L341-I369 PolarHBondContact O-N 2.71Å; I369-A397 HydrophobicContact CG2-CB 3.95Å; I369-I398 WeakPolarHBondContact CA-O 3.44Å; I369-I399 HydrophobicContact CG1-CG1 4.33Å; I369-I399 HydrophobicContact CG1-CG2 4.37Å; I369-N473 PolarHBondContact O-ND2 3.05Å
370	Y	96.9	Very high	80.8	Confident	1 Å²	1	22 Å²	22	0%	0.004	11%	0.111	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.8	130.1	177.5	-67.5	-57.2	0	0	0	111.2	T368 A397 I398 V400 L464 S470 H472 N473	T368-Y370 HydrophobicContact CG2-CD1 4.06Å; T368-Y370 HydrophobicContact CG2-CD2 4.37Å; T368-Y370 HydrophobicContact CG2-CE1 3.54Å; T368-Y370 HydrophobicContact CG2-CE2 3.92Å; T368-Y370 HydrophobicContact CG2-CG 4.44Å; T368-Y370 VanDerWaalsContact CG2-CZ 3.46Å; Y370-A397 CarbonylContact O-C 3.54Å; Y370-A397 VanDerWaalsContact O-CA 3.27Å; Y370-A397 WeakPolarHBondContact O-CA 3.45Å; Y370-I398 PolarHBondContact N-O 2.99Å; Y370-I398 PolarHBondContact O-N 3.3Å; Y370-V400 HydrophobicContact CD2-CG2 3.64Å; Y370-V400 HydrophobicContact CE2-CB 4.27Å; Y370-V400 HydrophobicContact CE2-CG2 3.61Å; Y370-L464 HydrophobicContact CD2-CB 3.87Å; Y370-L464 HydrophobicContact CD2-CD1 4.01Å; Y370-L464 HydrophobicContact CD2-CD2 4.16Å; Y370-L464 HydrophobicContact CD2-CG 4.23Å; Y370-L464 HydrophobicContact CE1-CD2 4.46Å; Y370-L464 HydrophobicContact CE2-CB 3.93Å; Y370-L464 HydrophobicContact CE2-CD2 4.07Å; Y370-L464 HydrophobicContact CE2-CG 4.44Å; Y370-L464 HydrophobicContact CG-CD1 4.09Å; Y370-L464 HydrophobicContact CG-CD2 4.38Å; Y370-S470 WeakPolarHBondContact OH-CB 3.31Å; Y370-S470 PolarHBondContact OH-N 3.03Å; Y370-H472 HydrophobicContact CD1-CB 3.88Å; Y370-H472 AromaticContact CD1-CD2 3.75Å; Y370-H472 HydrophobicContact CE1-CB 4.13Å; Y370-H472 AromaticContact CG-CD2 3.97Å; Y370-N473 VanDerWaalsContact CA-OD1 3.32Å; Y370-N473 WeakPolarHBondContact CA-OD1 3.12Å
371	L	95.4	Very high	83	Confident	2 Å²	2	17.4 Å²	17.4	1%	0.01	9%	0.091	C	C	.	.			trans	-73.3	138	178	-57.8	178.9	0	0	0	111	L341 L379 I391 L394 H472 N473 V476	L341-L371 HydrophobicContact CD1-CD1 3.97Å; L341-L371 HydrophobicContact CD1-CD2 4Å; L341-L371 HydrophobicContact CD1-CG 3.83Å; L371-L379 HydrophobicContact CD1-CD1 4.41Å; L371-L379 HydrophobicContact CD1-CD2 4.42Å; L371-I391 HydrophobicContact CD1-CD1 4.28Å; L371-I391 HydrophobicContact CD2-CD1 4.11Å; L371-I391 HydrophobicContact CD2-CG2 3.92Å; L371-L394 HydrophobicContact CD2-CD2 4.31Å; L371-H472 PolarHBondContact O-NE2 2.72Å; L371-N473 PolarHBondContact N-OD1 3.42Å; L371-V476 HydrophobicContact CB-CB 4.49Å; L371-V476 HydrophobicContact CB-CG1 3.93Å; L371-V476 HydrophobicContact CD1-CG1 4.29Å
372	G	91.6	Very high	85.1	Confident	2 Å²	2	12.6 Å²	12.6	2%	0.021	7%	0.069	C	C	.	.			trans	-116.4	-2.1	177	0	0	0	0	0	114.7	H396	G372-H396 VanDerWaalsContact CA-O 3.31Å; G372-H396 WeakPolarHBondContact CA-O 3.43Å; G372-H396 PolarHBondContact N-O 2.97Å
373	D	87.6	Confident	87.3	Confident	3 Å²	3	10.9 Å²	10.9	2%	0.016	6%	0.06	C	C	.	.			trans	-104.4	151.7	176.7	-148.3	-36.7	0	0	0	110.4	D375 N393 F439 V476	D373-D375 PolarHBondContact OD1-N 3.18Å; D373-D375 VanDerWaalsContact OD1-N 3.17Å; D373-N393 PolarHBondContact OD2-ND2 3.43Å; D373-F439 WeakPolarHBondContact OD2-CD1 3.22Å; D373-F439 WeakPolarHBondContact OD2-CE1 3.31Å; D373-V476 WeakPolarHBondContact O-CG1 3.14Å
374	F	88.9	Confident	88.9	Confident	0 Å²	0	12.5 Å²	12.5	0%	0	7%	0.07	C	C	.	.			trans	-125.3	-8	-176.4	-67.1	-91.5	0	0	0	113.2	L376 V429 L433 C455 L456 W475 V476 T479 S480 G484	F374-L376 PolarHBondContact O-N 3.48Å; F374-V429 HydrophobicContact CB-CG1 4.26Å; F374-V429 HydrophobicContact CD1-CG1 3.66Å; F374-V429 HydrophobicContact CD1-CG2 4.45Å; F374-V429 HydrophobicContact CD2-CG1 4.04Å; F374-V429 HydrophobicContact CD2-CG2 4.39Å; F374-V429 HydrophobicContact CE1-CG1 3.91Å; F374-V429 HydrophobicContact CE1-CG2 3.87Å; F374-V429 HydrophobicContact CE2-CG1 4.3Å; F374-V429 HydrophobicContact CE2-CG2 3.84Å; F374-V429 HydrophobicContact CG-CG1 3.71Å; F374-V429 HydrophobicContact CZ-CG1 4.23Å; F374-V429 HydrophobicContact CZ-CG2 3.54Å; F374-L433 HydrophobicContact CB-CD1 4.41Å; F374-L433 HydrophobicContact CB-CD2 3.93Å; F374-L433 HydrophobicContact CB-CG 4.45Å; F374-C455 HydrophobicContact CD2-CB 4.05Å; F374-C455 HydrophobicContact CE2-CB 3.97Å; F374-L456 HydrophobicContact CE2-CD2 4.1Å; F374-L456 HydrophobicContact CZ-CD2 3.96Å; F374-W475 HydrophobicContact CE1-CE3 4.34Å; F374-W475 HydrophobicContact CE1-CH2 4.17Å; F374-W475 AromaticContact CE1-CZ3 3.87Å; F374-W475 HydrophobicContact CE1-CZ3 3.87Å; F374-W475 HydrophobicContact CZ-CE3 4.43Å; F374-W475 HydrophobicContact CZ-CH2 4.02Å; F374-W475 AromaticContact CZ-CZ3 3.64Å; F374-W475 HydrophobicContact CZ-CZ3 3.64Å; F374-V476 HydrophobicContact CD1-CG1 4.15Å; F374-V476 HydrophobicContact CE1-CB 4.18Å; F374-V476 HydrophobicContact CE1-CG1 4.09Å; F374-V476 HydrophobicContact CE1-CG2 3.8Å; F374-V476 HydrophobicContact CZ-CG2 3.91Å; F374-T479 HydrophobicContact CD1-CG2 3.87Å; F374-T479 HydrophobicContact CE1-CG2 4.05Å; F374-S480 VanDerWaalsContact CA-OG 3.3Å; F374-S480 WeakPolarHBondContact CA-OG 3.31Å; F374-S480 WeakPolarHBondContact O-CB 3.22Å; F374-S480 PolarHBondContact O-OG 2.84Å; F374-G484 WeakPolarHBondContact O-CA 3.28Å
375	D	83.5	Confident	90.3	Very high	9 Å²	9	18.2 Å²	18.2	5%	0.048	10%	0.098	C	C	.	.			trans	-72.4	122	-179.1	172.6	70.8	0	0	0	112.1	D373 N377 S378 L379 F439 S487	D373-D375 PolarHBondContact OD1-N 3.18Å; D373-D375 VanDerWaalsContact OD1-N 3.17Å; D375-N377 VanDerWaalsContact C-N 3.32Å; D375-N377 PolarHBondContact O-N 2.78Å; D375-N377 PolarHBondContact OD2-N 3.25Å; D375-S378 WeakPolarHBondContact OD2-CB 3.01Å; D375-S378 PolarHBondContact OD2-N 3.14Å; D375-S378 PolarHBondContact OD2-OG 2.83Å; D375-L379 WeakPolarHBondContact O-CB 3.23Å; D375-L379 PolarHBondContact O-N 3.29Å; D375-F439 HydrophobicContact CB-CD2 4.45Å; D375-F439 HydrophobicContact CB-CE1 3.92Å; D375-F439 HydrophobicContact CB-CE2 3.42Å; D375-F439 VanDerWaalsContact CB-CE2 3.42Å; D375-F439 HydrophobicContact CB-CZ 3.14Å; D375-F439 VanDerWaalsContact OD2-CZ 3.23Å; D375-F439 WeakPolarHBondContact OD2-CZ 3.43Å; D375-S487 WeakPolarHBondContact OD1-CB 3.24Å
376	L	84	Confident	91.1	Very high	3 Å²	3	18 Å²	18	2%	0.016	10%	0.101	C	C	.	.	H	α-helix	trans	-67.9	-34.4	-171.1	-168.1	68.2	0	0	0	112.3	L316 F374 F380 L481 G484 F498	L316-L376 HydrophobicContact CD2-CD1 3.63Å; L316-L376 HydrophobicContact CD2-CD2 3.99Å; L316-L376 HydrophobicContact CD2-CG 3.74Å; F374-L376 PolarHBondContact O-N 3.48Å; L376-F380 HydrophobicContact CD1-CD2 3.91Å; L376-F380 HydrophobicContact CD1-CE2 3.99Å; L376-L481 HydrophobicContact CD1-CD2 4.21Å; L376-G484 PolarHBondContact N-O 3.23Å; L376-F498 HydrophobicContact CD2-CB 4.11Å
377	N	78.8	Confident	91.5	Very high	31 Å²	31	20.3 Å²	20.3	17%	0.166	11%	0.11	C	C	.	.	H	α-helix	trans	-78.9	-26.4	-173.6	-74.3	-43.8	0	0	0	113.5	S317 D375 D485	S317-N377 WeakPolarHBondContact CB-OD1 3.03Å; S317-N377 PolarHBondContact OG-OD1 2.63Å; D375-N377 VanDerWaalsContact C-N 3.32Å; D375-N377 PolarHBondContact O-N 2.78Å; D375-N377 PolarHBondContact OD2-N 3.25Å; N377-D485 PolarHBondContact ND2-OD1 2.7Å
378	S	83.7	Confident	91.7	Very high	4 Å²	4	23.5 Å²	23.5	3%	0.028	13%	0.127	C	C	.	.	H	α-helix	trans	-99.7	-21.1	177.2	67.5	0	0	0	0	114.1	D375 S392 N393 F439	D375-S378 WeakPolarHBondContact OD2-CB 3.01Å; D375-S378 PolarHBondContact OD2-N 3.14Å; D375-S378 PolarHBondContact OD2-OG 2.83Å; S378-S392 PolarHBondContact O-OG 2.76Å; S378-N393 VanDerWaalsContact O-CB 3.26Å; S378-N393 WeakPolarHBondContact O-CB 3.4Å; S378-N393 PolarHBondContact OG-ND2 2.03Å; S378-F439 VanDerWaalsContact OG-CE1 3.22Å; S378-F439 WeakPolarHBondContact OG-CE1 3.48Å; S378-F439 WeakPolarHBondContact OG-CZ 3.37Å
379	L	90.1	Very high	91.8	Very high	1 Å²	1	23.5 Å²	23.5	1%	0.005	13%	0.127	C	C	.	.	H	α-helix	trans	-78.4	-38.1	-175.7	-174.7	61	0	0	0	113	L371 D375 I391 S392	L371-L379 HydrophobicContact CD1-CD1 4.41Å; L371-L379 HydrophobicContact CD1-CD2 4.42Å; D375-L379 WeakPolarHBondContact O-CB 3.23Å; D375-L379 PolarHBondContact O-N 3.29Å; L379-I391 HydrophobicContact CD1-CG2 3.96Å; L379-I391 CarbonylContact O-C 3.4Å; L379-I391 WeakPolarHBondContact O-CA 2.98Å; L379-S392 PolarHBondContact O-N 3.14Å; L379-S392 PolarHBondContact O-OG 3.38Å
380	F	92.8	Very high	91.8	Very high	0 Å²	0	23.5 Å²	23.5	0%	0	13%	0.128	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.7	125.6	-174.8	-55.6	-57.3	0	0	0	113	L316 I334 L337 L376 V389 I391 I477	L316-F380 HydrophobicContact CB-CB 4.4Å; L316-F380 HydrophobicContact CD2-CD2 4.28Å; L316-F380 PolarHBondContact N-O 2.86Å; I334-F380 HydrophobicContact CD1-CD2 4.3Å; I334-F380 HydrophobicContact CG2-CE2 4.25Å; I334-F380 HydrophobicContact CG2-CZ 4.09Å; L337-F380 HydrophobicContact CD1-CD1 3.8Å; L337-F380 HydrophobicContact CD1-CE1 3.36Å; L337-F380 HydrophobicContact CD1-CZ 4.31Å; L376-F380 HydrophobicContact CD1-CD2 3.91Å; L376-F380 HydrophobicContact CD1-CE2 3.99Å; F380-V389 HydrophobicContact CB-CG1 4Å; F380-V389 HydrophobicContact CD1-CG1 3.78Å; F380-V389 HydrophobicContact CG-CG1 4.13Å; F380-I391 HydrophobicContact CD1-CG1 4.49Å; F380-I391 HydrophobicContact CE1-CG1 4.4Å; F380-I477 HydrophobicContact CZ-CG1 4.29Å
381	L	93.8	Very high	91.8	Very high	3 Å²	3	23.5 Å²	23.5	2%	0.016	13%	0.127	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.3	141.4	161	-66.2	173.8	0	0	0	109.6	V123 L139 V314 P315 V389 T390	V123-L381 HydrophobicContact CB-CD2 4.44Å; V123-L381 HydrophobicContact CG1-CD2 4.37Å; L139-L381 HydrophobicContact CD2-CD1 4.05Å; V314-L381 CarbonylContact O-C 3.2Å; V314-L381 WeakPolarHBondContact O-CA 3.49Å; P315-L381 HydrophobicContact CG-CD2 4.29Å; L381-V389 CarbonylContact O-C 3.54Å; L381-V389 WeakPolarHBondContact O-CA 2.81Å; L381-T390 PolarHBondContact N-O 3.08Å; L381-T390 PolarHBondContact O-N 3.37Å
382	V	95.3	Very high	91.6	Very high	0 Å²	0	23.5 Å²	23.5	0%	0	13%	0.128	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.6	125.3	179.9	-177.8	0	0	0	0	109.1	G313 V314 L316 F319 I330 P384 D388 V389	G313-V382 VanDerWaalsContact CA-O 3.27Å; G313-V382 WeakPolarHBondContact CA-O 3.44Å; V314-V382 PolarHBondContact N-O 3.34Å; V314-V382 PolarHBondContact O-N 3.32Å; L316-V382 HydrophobicContact CB-CG2 4.47Å; L316-V382 HydrophobicContact CD1-CG2 3.71Å; F319-V382 HydrophobicContact CD2-CB 3.98Å; F319-V382 HydrophobicContact CD2-CG1 4.07Å; F319-V382 HydrophobicContact CD2-CG2 4.31Å; F319-V382 HydrophobicContact CE1-CG1 4.36Å; F319-V382 HydrophobicContact CE2-CB 3.5Å; F319-V382 HydrophobicContact CE2-CG1 3.58Å; F319-V382 HydrophobicContact CE2-CG2 4.3Å; F319-V382 HydrophobicContact CZ-CB 4.12Å; F319-V382 HydrophobicContact CZ-CG1 3.73Å; I330-V382 HydrophobicContact CD1-CG1 3.91Å; I330-V382 HydrophobicContact CG1-CG1 3.94Å; I330-V382 HydrophobicContact CG2-CG2 4.06Å; V382-P384 WeakPolarHBondContact O-CD 3.34Å; V382-D388 WeakPolarHBondContact CA-O 3.06Å; V382-V389 HydrophobicContact CG2-CG2 4.35Å
383	D	95.8	Very high	91.5	Very high	43 Å²	43	23.7 Å²	23.7	23%	0.23	13%	0.128	C	C	.	.			trans	-66.1	121.2	170.3	-172	-57	0	0	0	109.4	I385 T386 Y387 D388	D383-I385 PolarHBondContact O-N 3.04Å; D383-I385 WeakPolarHBondContact OD1-CA 3.45Å; D383-I385 WeakPolarHBondContact OD1-CB 3.11Å; D383-I385 PolarHBondContact OD1-N 3.46Å; D383-T386 WeakPolarHBondContact CB-OG1 3.26Å; D383-T386 PolarHBondContact OD1-N 3.24Å; D383-Y387 WeakPolarHBondContact O-CA 3.46Å; D383-Y387 PolarHBondContact O-N 3.27Å; D383-D388 HydrophobicContact CB-CB 4.42Å; D383-D388 PolarHBondContact N-O 3.25Å
384	P	94	Very high	91.8	Very high	60 Å²	60	23.6 Å²	23.6	39%	0.39	13%	0.128	S	C	.	.	T	Hydrogen-bonded Turn	trans	-70.9	-11.1	-176.7	29.3	-35.2	0	0	0	115	F319 V382 Y387	F319-P384 HydrophobicContact CZ-CB 4.14Å; V382-P384 WeakPolarHBondContact O-CD 3.34Å; P384-Y387 WeakPolarHBondContact O-CE1 3.38Å
385	I	94.3	Very high	91.9	Very high	142 Å²	142	23.7 Å²	23.7	73%	0.728	13%	0.128	S	C	*	.	T	Hydrogen-bonded Turn	trans	-99.8	-51.7	-179.7	-56.3	175.8	0	0	0	110.1	D383	D383-I385 PolarHBondContact O-N 3.04Å; D383-I385 WeakPolarHBondContact OD1-CA 3.45Å; D383-I385 WeakPolarHBondContact OD1-CB 3.11Å; D383-I385 PolarHBondContact OD1-N 3.46Å
386	T	95.8	Very high	92.3	Very high	66 Å²	66	23.3 Å²	23.3	41%	0.405	13%	0.126	S	C	.	.	T	Hydrogen-bonded Turn	trans	-93.4	-15.5	-175.7	69.7	0	0	0	0	113.5	D383 D388	D383-T386 WeakPolarHBondContact CB-OG1 3.26Å; D383-T386 PolarHBondContact OD1-N 3.24Å; T386-D388 WeakPolarHBondContact CB-OD2 3.41Å; T386-D388 PolarHBondContact O-N 3.24Å; T386-D388 WeakPolarHBondContact OG1-CB 3.11Å; T386-D388 PolarHBondContact OG1-N 3.32Å; T386-D388 PolarHBondContact OG1-OD2 2.86Å
387	Y	96.1	Very high	92.8	Very high	49 Å²	49	23.2 Å²	23.2	19%	0.192	13%	0.126	C	C	.	.			trans	61	16.5	-170.2	-47.8	-57.2	0	0	0	113.9	F319 W325 I326 Q329 I330 N333 D383 P384	F319-Y387 HydrophobicContact CE1-CD1 4.08Å; F319-Y387 HydrophobicContact CE1-CE1 4.04Å; W325-Y387 HydrophobicContact CH2-CE2 4.35Å; W325-Y387 HydrophobicContact CZ3-CE2 4.18Å; I326-Y387 HydrophobicContact CD1-CE1 4.42Å; I326-Y387 WeakPolarHBondContact CD1-OH 3.47Å; I326-Y387 HydrophobicContact CG1-CE2 4.46Å; I326-Y387 HydrophobicContact CG2-CD1 4.01Å; I326-Y387 HydrophobicContact CG2-CE1 3.77Å; Q329-Y387 HydrophobicContact CG-CD2 4.16Å; I330-Y387 HydrophobicContact CD1-CD1 4.45Å; I330-Y387 HydrophobicContact CG1-CD1 4.44Å; I330-Y387 HydrophobicContact CG1-CG 4.47Å; N333-Y387 PolarHBondContact ND2-O 2.86Å; D383-Y387 WeakPolarHBondContact O-CA 3.46Å; D383-Y387 PolarHBondContact O-N 3.27Å; P384-Y387 WeakPolarHBondContact O-CE1 3.38Å
388	D	95.8	Very high	93.6	Very high	68 Å²	68	21.7 Å²	21.7	36%	0.364	12%	0.118	S	C	.	.			trans	-65.4	139.1	173.6	-73.4	-39	0	0	0	110.7	V382 D383 T386	V382-D388 WeakPolarHBondContact CA-O 3.06Å; D383-D388 HydrophobicContact CB-CB 4.42Å; D383-D388 PolarHBondContact N-O 3.25Å; T386-D388 WeakPolarHBondContact CB-OD2 3.41Å; T386-D388 PolarHBondContact O-N 3.24Å; T386-D388 WeakPolarHBondContact OG1-CB 3.11Å; T386-D388 PolarHBondContact OG1-N 3.32Å; T386-D388 PolarHBondContact OG1-OD2 2.86Å
389	V	96.9	Very high	94.1	Very high	6 Å²	6	21.5 Å²	21.5	4%	0.036	12%	0.116	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105	128.4	-176.8	-176.5	0	0	0	0	109.5	I330 N333 I334 L337 F380 L381 V382	I330-V389 HydrophobicContact CG2-CG2 4.16Å; N333-V389 HydrophobicContact CB-CB 4.31Å; N333-V389 HydrophobicContact CB-CG2 3.61Å; I334-V389 HydrophobicContact CG1-CB 4.47Å; I334-V389 HydrophobicContact CG1-CG1 3.99Å; I334-V389 HydrophobicContact CG1-CG2 3.94Å; L337-V389 HydrophobicContact CD1-CG1 3.95Å; F380-V389 HydrophobicContact CB-CG1 4Å; F380-V389 HydrophobicContact CD1-CG1 3.78Å; F380-V389 HydrophobicContact CG-CG1 4.13Å; L381-V389 CarbonylContact O-C 3.54Å; L381-V389 WeakPolarHBondContact O-CA 2.81Å; V382-V389 HydrophobicContact CG2-CG2 4.35Å
390	T	96.6	Very high	94.2	Very high	1 Å²	1	21.5 Å²	21.5	1%	0.006	12%	0.116	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.2	135.3	176.6	-57.2	0	0	0	0	109.3	R290 P295 F296 P297 H312 L381 S392	R290-T390 PolarHBondContact NH1-OG1 3.2Å; R290-T390 PolarHBondContact NH2-OG1 3.03Å; P295-T390 WeakPolarHBondContact O-CG2 3.37Å; F296-T390 VanDerWaalsContact C-CG2 3.49Å; P297-T390 HydrophobicContact CG-CG2 3.9Å; H312-T390 HydrophobicContact CB-CG2 4.05Å; L381-T390 PolarHBondContact N-O 3.08Å; L381-T390 PolarHBondContact O-N 3.37Å; T390-S392 PolarHBondContact O-N 3.37Å
391	I	96.2	Very high	94.1	Very high	0 Å²	0	21.5 Å²	21.5	0%	0	12%	0.116	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.5	112.1	175	-59.6	177.2	0	0	0	108.4	P295 F296 P297 L337 L341 L371 L379 F380 L394	P295-I391 HydrophobicContact CG-CD1 3.8Å; P295-I391 HydrophobicContact CG-CG1 4.27Å; P295-I391 PolarHBondContact O-N 3.05Å; F296-I391 HydrophobicContact CD1-CB 4.1Å; F296-I391 HydrophobicContact CE1-CB 4.25Å; F296-I391 HydrophobicContact CE1-CD1 4.39Å; F296-I391 HydrophobicContact CE1-CG2 4.49Å; P297-I391 WeakPolarHBondContact CD-O 3.17Å; L337-I391 HydrophobicContact CB-CD1 4.45Å; L337-I391 HydrophobicContact CD1-CD1 4.17Å; L337-I391 HydrophobicContact CD1-CG1 3.94Å; L337-I391 HydrophobicContact CD2-CD1 4.38Å; L337-I391 HydrophobicContact CD2-CG1 4.32Å; L341-I391 HydrophobicContact CD1-CD1 3.71Å; L341-I391 HydrophobicContact CD2-CD1 3.91Å; L341-I391 HydrophobicContact CG-CD1 4.04Å; L371-I391 HydrophobicContact CD1-CD1 4.28Å; L371-I391 HydrophobicContact CD2-CD1 4.11Å; L371-I391 HydrophobicContact CD2-CG2 3.92Å; L379-I391 HydrophobicContact CD1-CG2 3.96Å; L379-I391 CarbonylContact O-C 3.4Å; L379-I391 WeakPolarHBondContact O-CA 2.98Å; F380-I391 HydrophobicContact CD1-CG1 4.49Å; F380-I391 HydrophobicContact CE1-CG1 4.4Å; I391-L394 HydrophobicContact CG2-CD2 3.78Å; I391-L394 HydrophobicContact CG2-CG 4.4Å
392	S	92.5	Very high	93.9	Very high	3 Å²	3	21.7 Å²	21.7	2%	0.021	12%	0.117	C	C	.	.			trans	-99.2	-16	-168.8	43.5	0	0	0	0	115.7	Q281 S378 L379 T390	Q281-S392 PolarHBondContact NE2-O 3.18Å; Q281-S392 PolarHBondContact OE1-O 2.91Å; S378-S392 PolarHBondContact O-OG 2.76Å; L379-S392 PolarHBondContact O-N 3.14Å; L379-S392 PolarHBondContact O-OG 3.38Å; T390-S392 PolarHBondContact O-N 3.37Å
393	N	89.8	Confident	93.4	Very high	5 Å²	5	22.4 Å²	22.4	3%	0.027	12%	0.121	C	C	.	.			trans	-125.6	107.5	-178	-177.3	8.1	0	0	0	110.7	V122 D373 S378 R395	V122-N393 HydrophobicContact CG1-CB 4.3Å; V122-N393 WeakPolarHBondContact CG1-ND2 3.18Å; D373-N393 PolarHBondContact OD2-ND2 3.43Å; S378-N393 VanDerWaalsContact O-CB 3.26Å; S378-N393 WeakPolarHBondContact O-CB 3.4Å; S378-N393 PolarHBondContact OG-ND2 2.03Å; N393-R395 PolarHBondContact OD1-N 3.47Å
394	L	93.4	Very high	92.8	Very high	1 Å²	1	21 Å²	21	1%	0.005	11%	0.114	C	C	.	.			trans	-114.4	11.5	-176	-65.3	167.1	0	0	0	112.7	I284 I285 F296 L371 I391 H396 A397	I284-L394 HydrophobicContact CB-CD1 4.4Å; I284-L394 HydrophobicContact CD1-CB 3.91Å; I284-L394 VanDerWaalsContact CD1-O 3.31Å; I284-L394 WeakPolarHBondContact CD1-O 3.46Å; I284-L394 HydrophobicContact CG2-CB 4.49Å; I284-L394 HydrophobicContact CG2-CD1 3.79Å; I285-L394 HydrophobicContact CG2-CD1 3.67Å; F296-L394 HydrophobicContact CB-CD1 4.32Å; F296-L394 HydrophobicContact CD1-CD1 3.6Å; F296-L394 HydrophobicContact CD1-CD2 4.13Å; F296-L394 HydrophobicContact CD1-CG 4.37Å; F296-L394 HydrophobicContact CD2-CD1 3.98Å; F296-L394 HydrophobicContact CE1-CD1 3.86Å; F296-L394 HydrophobicContact CE1-CD2 3.65Å; F296-L394 HydrophobicContact CE1-CG 4.36Å; F296-L394 HydrophobicContact CE2-CD1 4.22Å; F296-L394 HydrophobicContact CG-CD1 3.7Å; F296-L394 HydrophobicContact CZ-CD1 4.17Å; F296-L394 HydrophobicContact CZ-CD2 4.09Å; L371-L394 HydrophobicContact CD2-CD2 4.31Å; I391-L394 HydrophobicContact CG2-CD2 3.78Å; I391-L394 HydrophobicContact CG2-CG 4.4Å; L394-H396 VanDerWaalsContact C-N 3.26Å; L394-H396 PolarHBondContact O-N 3.15Å; L394-A397 HydrophobicContact CB-CB 4.23Å; L394-A397 HydrophobicContact CD2-CB 4.13Å; L394-A397 VanDerWaalsContact O-CB 3.27Å; L394-A397 WeakPolarHBondContact O-CB 3.41Å; L394-A397 PolarHBondContact O-N 3.1Å
395	R	90.4	Very high	92.3	Very high	2 Å²	2	18.4 Å²	18.4	1%	0.008	10%	0.097	C	C	.	.	T	Hydrogen-bonded Turn	trans	-57.3	-39.3	-174.9	178	170.2	-69.3	-157.8	16.3	113.5	G144 S145 D279 P280 N393 I442 T448	G144-R395 VanDerWaalsContact CA-NH2 3.28Å; G144-R395 PolarHBondContact O-NH1 2.78Å; G144-R395 VanDerWaalsContact O-NH1 3.14Å; G144-R395 PolarHBondContact O-NH2 3.37Å; S145-R395 PolarHBondContact O-NH1 2.98Å; S145-R395 PolarHBondContact O-NH2 2.71Å; D279-R395 IonicContact OD1-CZ 2.69Å; D279-R395 IonicContact OD1-NE 3.08Å; D279-R395 PolarHBondContact OD1-NE 3.35Å; D279-R395 IonicContact OD1-NH2 3.31Å; D279-R395 IonicContact OD2-CZ 3.63Å; D279-R395 IonicContact OD2-NE 3.9Å; D279-R395 IonicContact OD2-NH2 3.83Å; D279-R395 PolarHBondContact OD2-NH2 3.41Å; P280-R395 VanDerWaalsContact CG-O 3.22Å; P280-R395 WeakPolarHBondContact CG-O 3.03Å; N393-R395 PolarHBondContact OD1-N 3.47Å; R395-I442 HydrophobicContact CG-CD1 4.49Å; R395-T448 HydrophobicContact CG-CG2 4.09Å
396	H	91.6	Very high	91.6	Very high	1 Å²	1	13.3 Å²	13.3	1%	0.005	7%	0.071	C	C	.	.	T	Hydrogen-bonded Turn	trans	-102.8	15.3	178.6	-59.4	129.5	0	0	0	112.8	G372 L394 F439 P453	G372-H396 VanDerWaalsContact CA-O 3.31Å; G372-H396 WeakPolarHBondContact CA-O 3.43Å; G372-H396 PolarHBondContact N-O 2.97Å; L394-H396 VanDerWaalsContact C-N 3.26Å; L394-H396 PolarHBondContact O-N 3.15Å; H396-F439 PolarHBondContact CE1-O 3.45Å; H396-F439 VanDerWaalsContact CE1-O 3.23Å; H396-P453 HydrophobicContact CB-CB 3.98Å; H396-P453 HydrophobicContact CB-CG 4.12Å; H396-P453 VanDerWaalsContact O-CG 3.28Å; H396-P453 WeakPolarHBondContact O-CG 3.39Å
397	A	95.1	Very high	90.7	Very high	1 Å²	1	14.4 Å²	14.4	1%	0.008	7%	0.074	C	C	.	.			trans	-64.6	148	175.4	0	0	0	0	0	110.6	P235 A236 I284 I369 Y370 L394	P235-A397 CarbonylContact C-O 3.54Å; P235-A397 VanDerWaalsContact C-O 3.25Å; A236-A397 WeakPolarHBondContact CA-O 3.29Å; A236-A397 PolarHBondContact N-O 2.96Å; I284-A397 HydrophobicContact CD1-CB 4.01Å; I369-A397 HydrophobicContact CG2-CB 3.95Å; Y370-A397 CarbonylContact O-C 3.54Å; Y370-A397 VanDerWaalsContact O-CA 3.27Å; Y370-A397 WeakPolarHBondContact O-CA 3.45Å; L394-A397 HydrophobicContact CB-CB 4.23Å; L394-A397 HydrophobicContact CD2-CB 4.13Å; L394-A397 VanDerWaalsContact O-CB 3.27Å; L394-A397 WeakPolarHBondContact O-CB 3.41Å; L394-A397 PolarHBondContact O-N 3.1Å
398	I	95	Very high	89.4	Confident	0 Å²	0	18.1 Å²	18.1	0%	0	9%	0.091	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116	126.5	175.7	-61.4	152.6	0	0	0	107.2	P235 R238 I369 Y370 V400 P453 L456 V461 L464	P235-I398 HydrophobicContact CB-CG1 4.49Å; R238-I398 HydrophobicContact CB-CG2 4.39Å; I369-I398 WeakPolarHBondContact CA-O 3.44Å; Y370-I398 PolarHBondContact N-O 2.99Å; Y370-I398 PolarHBondContact O-N 3.3Å; I398-V400 HydrophobicContact CG2-CG2 4.27Å; I398-P453 HydrophobicContact CD1-CG 3.77Å; I398-P453 HydrophobicContact CG1-CG 4.05Å; I398-L456 HydrophobicContact CD1-CD1 4.2Å; I398-V461 HydrophobicContact CD1-CB 4.42Å; I398-V461 HydrophobicContact CD1-CG1 3.71Å; I398-V461 HydrophobicContact CD1-CG2 3.96Å; I398-V461 HydrophobicContact CG1-CG1 4.39Å; I398-L464 HydrophobicContact CD1-CD1 4.09Å
399	I	95.1	Very high	87.9	Confident	0 Å²	0	18.7 Å²	18.7	0%	0	9%	0.092	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100	132.4	177.5	-51	158.6	0	0	0	108.8	A236 C239 L244 L248 I284 F288 Y367 I369	A236-I399 HydrophobicContact CB-CD1 4.15Å; A236-I399 WeakPolarHBondContact O-CB 3.24Å; A236-I399 PolarHBondContact O-N 2.63Å; C239-I399 WeakPolarHBondContact CB-O 3.06Å; L244-I399 HydrophobicContact CD1-CB 4.09Å; L244-I399 HydrophobicContact CD1-CD1 4.26Å; L244-I399 HydrophobicContact CD1-CG2 3.47Å; L244-I399 VanDerWaalsContact CD1-CG2 3.47Å; L244-I399 HydrophobicContact CD2-CB 4.08Å; L244-I399 HydrophobicContact CD2-CG2 4.14Å; L244-I399 HydrophobicContact CG-CG2 4.48Å; L248-I399 HydrophobicContact CD1-CD1 4.36Å; L248-I399 HydrophobicContact CD2-CD1 4.03Å; I284-I399 HydrophobicContact CG1-CD1 4.2Å; F288-I399 HydrophobicContact CE2-CD1 3.8Å; F288-I399 HydrophobicContact CE2-CG1 4.32Å; F288-I399 HydrophobicContact CE2-CG2 4.23Å; F288-I399 HydrophobicContact CZ-CG2 3.93Å; Y367-I399 HydrophobicContact CD1-CG2 4.21Å; I369-I399 HydrophobicContact CG1-CG1 4.33Å; I369-I399 HydrophobicContact CG1-CG2 4.37Å
400	V	92.6	Very high	85.7	Confident	0 Å²	0	26.9 Å²	26.9	0%	0	13%	0.127	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.6	124.2	177.9	-174.6	0	0	0	0	109.4	C239 Y367 T368 Y370 I398 T402 L405	C239-V400 HydrophobicContact CB-CG2 4.04Å; Y367-V400 CarbonylContact C-O 3.43Å; Y367-V400 VanDerWaalsContact CA-O 3.32Å; Y367-V400 WeakPolarHBondContact CA-O 3.22Å; T368-V400 PolarHBondContact N-O 3.32Å; T368-V400 PolarHBondContact O-N 3.19Å; Y370-V400 HydrophobicContact CD2-CG2 3.64Å; Y370-V400 HydrophobicContact CE2-CB 4.27Å; Y370-V400 HydrophobicContact CE2-CG2 3.61Å; I398-V400 HydrophobicContact CG2-CG2 4.27Å; V400-T402 HydrophobicContact CG1-CG2 4.29Å; V400-T402 PolarHBondContact O-N 3.37Å; V400-L405 HydrophobicContact CG1-CD1 3.46Å; V400-L405 VanDerWaalsContact CG1-CD1 3.46Å
401	D	90.2	Very high	83.3	Confident	1 Å²	1	36.5 Å²	36.5	1%	0.005	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.7	88.3	171.9	-177.6	-6.6	0	0	0	110	S241 R243 L244 Y367 Q403 T404 L405	S241-D401 WeakPolarHBondContact OG-CB 3.29Å; S241-D401 PolarHBondContact OG-OD2 3.34Å; R243-D401 WeakPolarHBondContact CB-OD2 3.24Å; R243-D401 WeakPolarHBondContact CD-OD2 3.12Å; R243-D401 WeakPolarHBondContact CG-OD2 3.43Å; R243-D401 IonicContact CZ-OD1 3.86Å; R243-D401 IonicContact NH1-OD1 3.12Å; R243-D401 PolarHBondContact NH1-OD1 2.89Å; R243-D401 IonicContact NH1-OD2 3.59Å; L244-D401 HydrophobicContact CB-CB 4.39Å; Y367-D401 HydrophobicContact CD1-CB 4.07Å; Y367-D401 HydrophobicContact CE1-CB 3.89Å; D401-Q403 VanDerWaalsContact C-N 3.3Å; D401-Q403 PolarHBondContact O-N 3.32Å; D401-Q403 PolarHBondContact OD1-N 3.45Å; D401-T404 PolarHBondContact O-N 2.95Å; D401-T404 PolarHBondContact OD1-N 3.24Å; D401-T404 PolarHBondContact OD1-OG1 2.75Å; D401-T404 WeakPolarHBondContact OD2-CB 3.48Å; D401-T404 PolarHBondContact OD2-OG1 3.41Å; D401-L405 PolarHBondContact O-N 3.27Å; D401-L405 VanDerWaalsContact O-N 3.08Å
402	T	88.9	Confident	80.7	Confident	6 Å²	6	40.5 Å²	40.5	4%	0.037	20%	0.197	C	C	.	.	H	α-helix	trans	-68.5	-30.4	-177.3	53.6	0	0	0	0	112	G366 T368 V400 L405 I406 Q468	G366-T402 WeakPolarHBondContact CA-OG1 3Å; G366-T402 PolarHBondContact O-N 2.79Å; G366-T402 PolarHBondContact O-OG1 2.72Å; T368-T402 WeakPolarHBondContact OG1-CG2 3.48Å; V400-T402 HydrophobicContact CG1-CG2 4.29Å; V400-T402 PolarHBondContact O-N 3.37Å; T402-L405 PolarHBondContact O-N 3.27Å; T402-I406 WeakPolarHBondContact O-CB 3.32Å; T402-I406 WeakPolarHBondContact O-CD1 3.47Å; T402-I406 WeakPolarHBondContact O-CG1 3.38Å; T402-I406 PolarHBondContact O-N 2.97Å; T402-Q468 WeakPolarHBondContact CG2-O 3.47Å
403	Q	85.6	Confident	78.3	Confident	15 Å²	15	45.9 Å²	45.9	7%	0.07	23%	0.23	C	C	.	.	H	α-helix	trans	-60.1	-48.8	173.2	-177.4	90.9	46.9	0	0	110.9	D347 G366 D401 L405 I406 N407	D347-Q403 PolarHBondContact OD2-NE2 3.41Å; G366-Q403 PolarHBondContact O-N 3.48Å; D401-Q403 VanDerWaalsContact C-N 3.3Å; D401-Q403 PolarHBondContact O-N 3.32Å; D401-Q403 PolarHBondContact OD1-N 3.45Å; Q403-L405 VanDerWaalsContact C-N 3.31Å; Q403-L405 PolarHBondContact O-N 3.28Å; Q403-I406 PolarHBondContact O-N 2.6Å; Q403-N407 WeakPolarHBondContact O-CB 3.22Å; Q403-N407 VanDerWaalsContact O-CG 3.24Å; Q403-N407 PolarHBondContact O-N 3.27Å
404	T	83.6	Confident	76	Confident	14 Å²	14	51.6 Å²	51.6	9%	0.086	27%	0.265	C	S	.	.	H	α-helix	trans	-66.2	-34.4	178	-66.5	0	0	0	0	111.4	S227 V228 D401 F408	S227-T404 VanDerWaalsContact OG-CG2 3.22Å; S227-T404 WeakPolarHBondContact OG-CG2 3.48Å; V228-T404 HydrophobicContact CG2-CG2 4.01Å; D401-T404 PolarHBondContact O-N 2.95Å; D401-T404 PolarHBondContact OD1-N 3.24Å; D401-T404 PolarHBondContact OD1-OG1 2.75Å; D401-T404 WeakPolarHBondContact OD2-CB 3.48Å; D401-T404 PolarHBondContact OD2-OG1 3.41Å; T404-F408 HydrophobicContact CG2-CD2 4.03Å; T404-F408 HydrophobicContact CG2-CE2 4.07Å; T404-F408 WeakPolarHBondContact O-CD2 3.37Å; T404-F408 PolarHBondContact O-N 3.08Å
405	L	82.3	Confident	73.9	Confident	5 Å²	5	60 Å²	60	3%	0.026	30%	0.304	C	S	.	.	H	α-helix	trans	-63.5	-47	171.4	-70.7	175.6	0	0	0	112.2	V228 V400 D401 T402 Q403 N407 F408 H409 C465 Y467	V228-L405 HydrophobicContact CB-CD2 4.15Å; V228-L405 HydrophobicContact CG2-CD2 3.58Å; V228-L405 HydrophobicContact CG2-CG 4.01Å; V400-L405 HydrophobicContact CG1-CD1 3.46Å; V400-L405 VanDerWaalsContact CG1-CD1 3.46Å; D401-L405 PolarHBondContact O-N 3.27Å; D401-L405 VanDerWaalsContact O-N 3.08Å; T402-L405 PolarHBondContact O-N 3.27Å; Q403-L405 VanDerWaalsContact C-N 3.31Å; Q403-L405 PolarHBondContact O-N 3.28Å; L405-N407 PolarHBondContact O-N 3.46Å; L405-F408 PolarHBondContact O-N 3.34Å; L405-H409 WeakPolarHBondContact O-CB 3.12Å; L405-H409 PolarHBondContact O-CD2 3.13Å; L405-H409 VanDerWaalsContact O-CD2 3.26Å; L405-H409 PolarHBondContact O-N 2.97Å; L405-C465 WeakPolarHBondContact CD2-O 3.06Å; L405-Y467 WeakPolarHBondContact CD1-O 3.49Å
406	I	79.8	Confident	72.2	Confident	36 Å²	36	64.4 Å²	64.4	19%	0.185	33%	0.328	C	S	.	.	H	α-helix	trans	-59.7	-48.2	179.9	-69.6	161.6	0	0	0	110.8	T402 Q403 F408 H409 Q468	T402-I406 WeakPolarHBondContact O-CB 3.32Å; T402-I406 WeakPolarHBondContact O-CD1 3.47Å; T402-I406 WeakPolarHBondContact O-CG1 3.38Å; T402-I406 PolarHBondContact O-N 2.97Å; Q403-I406 PolarHBondContact O-N 2.6Å; I406-F408 VanDerWaalsContact C-N 3.27Å; I406-F408 PolarHBondContact O-N 3.26Å; I406-H409 PolarHBondContact O-N 2.98Å; I406-Q468 HydrophobicContact CG1-CG 3.99Å
407	N	77.5	Confident	71.3	Confident	89 Å²	89	72.3 Å²	72.3	48%	0.476	36%	0.362	S	S	.	.	H	α-helix	trans	-62	-33.4	-176.7	-71.2	-8.2	0	0	0	112.8	Q403 L405	Q403-N407 WeakPolarHBondContact O-CB 3.22Å; Q403-N407 VanDerWaalsContact O-CG 3.24Å; Q403-N407 PolarHBondContact O-N 3.27Å; L405-N407 PolarHBondContact O-N 3.46Å
408	F	68.8	Low	70.9	Confident	126 Å²	126	73.2 Å²	73.2	55%	0.553	37%	0.367	S	S	*	.	H	α-helix	trans	-93.6	-25.2	-177.1	-77.4	-97.8	0	0	0	113.8	S227 T404 L405 I406 F410	S227-F408 VanDerWaalsContact CB-CG 3.41Å; S227-F408 WeakPolarHBondContact OG-CB 3.18Å; S227-F408 WeakPolarHBondContact OG-CD2 3.37Å; S227-F408 WeakPolarHBondContact OG-CG 3.22Å; T404-F408 HydrophobicContact CG2-CD2 4.03Å; T404-F408 HydrophobicContact CG2-CE2 4.07Å; T404-F408 WeakPolarHBondContact O-CD2 3.37Å; T404-F408 PolarHBondContact O-N 3.08Å; L405-F408 PolarHBondContact O-N 3.34Å; I406-F408 VanDerWaalsContact C-N 3.27Å; I406-F408 PolarHBondContact O-N 3.26Å; F408-F410 PolarHBondContact O-N 3.18Å
409	H	63.8	Low	70.8	Confident	81 Å²	81	74 Å²	74	38%	0.375	37%	0.37	S	S	.	.			trans	-79.3	4.5	175.8	-83.1	-76.7	0	0	0	114.5	L405 I406 K411 S412	L405-H409 WeakPolarHBondContact O-CB 3.12Å; L405-H409 PolarHBondContact O-CD2 3.13Å; L405-H409 VanDerWaalsContact O-CD2 3.26Å; L405-H409 PolarHBondContact O-N 2.97Å; I406-H409 PolarHBondContact O-N 2.98Å; H409-K411 PolarHBondContact O-N 3.34Å; H409-S412 PolarHBondContact O-N 3.29Å
410	F	51.1	Low	70.7	Confident	178 Å²	178	75.3 Å²	75.3	78%	0.781	38%	0.379	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60	5.3	-179.7	-126.7	-89.2	0	0	0	115.6	F408	F408-F410 PolarHBondContact O-N 3.18Å
411	K	45.7	Very low	70.8	Confident	202 Å²	202	75.3 Å²	75.3	88%	0.878	38%	0.379	S	S	*	.	T	Hydrogen-bonded Turn	trans	-125.9	2.6	173.1	-80.7	-178.2	175.4	176.6	0	115.5	H409 T413	H409-K411 PolarHBondContact O-N 3.34Å; K411-T413 PolarHBondContact O-N 3.37Å
412	S	42.2	Very low	71	Confident	84 Å²	84	77.9 Å²	77.9	59%	0.587	40%	0.398	S	S	*	.			trans	-93.8	96	178.1	-179.7	0	0	0	0	110.4	H409 T414	H409-S412 PolarHBondContact O-N 3.29Å; S412-T414 PolarHBondContact O-N 2.88Å
413	T	42	Very low	71	Confident	117 Å²	117	80.4 Å²	80.4	72%	0.718	41%	0.413	S	S	*	.			trans	-36.4	123.6	167.1	43.2	0	0	0	0	113.5	K411 E415	K411-T413 PolarHBondContact O-N 3.37Å; T413-E415 PolarHBondContact O-N 3.24Å
414	T	42.1	Very low	71.2	Confident	125 Å²	125	85 Å²	85	77%	0.767	44%	0.438	S	S	*	.	S	Bend	trans	31.5	83.6	137.4	54.2	0	0	0	0	116.2	S412	S412-T414 PolarHBondContact O-N 2.88Å
415	E	48.7	Very low	71.6	Confident	176 Å²	176	84.9 Å²	84.9	82%	0.822	44%	0.439	S	S	*	.	S	Bend	trans	168.4	119.9	140.4	-92.1	162.8	-162.2	0	0	109	T413	T413-E415 PolarHBondContact O-N 3.24Å
416	N	54.2	Low	72.1	Confident	96 Å²	96	85.2 Å²	85.2	51%	0.513	44%	0.44	S	S	.	.			trans	83.7	75.8	169.6	-46.7	-34.3	0	0	0	117.9	E418 Y467	N416-E418 VanDerWaalsContact C-N 3.29Å; N416-E418 PolarHBondContact O-N 3.09Å; N416-Y467 HydrophobicContact CB-CE1 4.09Å; N416-Y467 WeakPolarHBondContact O-CD1 3.34Å; N416-Y467 WeakPolarHBondContact O-CE1 3.34Å
417	K	73.2	Confident	72.6	Confident	166 Å²	166	88 Å²	88	72%	0.722	46%	0.456	S	S	*	.	S	Bend	trans	-69.3	-20.4	172.6	-67.7	-172.8	176.4	-172.6	0	114.7	T469	K417-T469 PolarHBondContact O-N 2.87Å; K417-T469 PolarHBondContact O-OG1 2.79Å
418	E	86.9	Confident	73.2	Confident	21 Å²	21	86.6 Å²	86.6	10%	0.098	45%	0.445	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.2	129.1	-174.3	-176	173.9	-152	0	0	111	N416 S420 T469 I519 G520 R523	N416-E418 VanDerWaalsContact C-N 3.29Å; N416-E418 PolarHBondContact O-N 3.09Å; E418-S420 PolarHBondContact O-N 3.49Å; E418-T469 CarbonylContact C-O 3.55Å; E418-T469 WeakPolarHBondContact CA-O 3.32Å; E418-T469 WeakPolarHBondContact CA-OG1 3.43Å; E418-T469 WeakPolarHBondContact CB-OG1 3.26Å; E418-I519 HydrophobicContact CB-CG2 4.4Å; E418-G520 PolarHBondContact OE2-N 2.9Å; E418-G520 VanDerWaalsContact OE2-N 3.11Å; E418-R523 IonicContact OE1-CZ 3.62Å; E418-R523 IonicContact OE1-NE 3.04Å; E418-R523 PolarHBondContact OE1-NE 3.46Å; E418-R523 IonicContact OE1-NH2 3.38Å; E418-R523 PolarHBondContact OE1-NH2 3.41Å; E418-R523 VanDerWaalsContact OE1-NH2 3.12Å
419	H	91.7	Very high	74.2	Confident	16 Å²	16	80.6 Å²	80.6	7%	0.074	42%	0.419	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.2	109.5	167	177.6	56.7	0	0	0	110.2	Y467 T469 S470 D471	H419-Y467 HydrophobicContact CB-CD1 3.96Å; H419-Y467 HydrophobicContact CB-CD2 3.92Å; H419-Y467 HydrophobicContact CB-CE1 4.48Å; H419-Y467 HydrophobicContact CB-CE2 4.43Å; H419-Y467 HydrophobicContact CB-CG 3.64Å; H419-T469 PolarHBondContact N-O 3.39Å; H419-S470 PolarHBondContact CD2-OG 3.18Å; H419-S470 WeakPolarHBondContact O-CA 3.45Å; H419-S470 WeakPolarHBondContact O-CB 3.44Å; H419-S470 PolarHBondContact O-OG 3Å; H419-D471 PolarHBondContact O-N 2.98Å
420	S	94.4	Very high	75.3	Confident	28 Å²	28	78.9 Å²	78.9	20%	0.196	41%	0.412	C	S	.	.	P	Polyproline II helix	trans	-86	125.6	169.5	169.2	0	0	0	0	110.7	E418 S422 D471 G518	E418-S420 PolarHBondContact O-N 3.49Å; S420-S422 PolarHBondContact O-N 2.98Å; S420-D471 WeakPolarHBondContact CA-OD1 3.35Å; S420-G518 PolarHBondContact OG-N 3.31Å
421	V	94.9	Very high	76.9	Confident	0 Å²	0	74.9 Å²	74.9	0%	0	40%	0.399	C	S	.	.	P	Polyproline II helix	trans	-63.2	127.7	175.3	176.9	0	0	0	0	110.7	A425 D471 H472 W475 S517 R522	V421-A425 HydrophobicContact CG1-CB 3.73Å; V421-D471 WeakPolarHBondContact CG2-OD1 3.33Å; V421-D471 PolarHBondContact N-OD1 3.02Å; V421-H472 HydrophobicContact CG2-CB 4Å; V421-W475 HydrophobicContact CB-CB 4.32Å; V421-W475 HydrophobicContact CB-CD2 4.25Å; V421-W475 HydrophobicContact CB-CG 4.13Å; V421-W475 HydrophobicContact CG1-CD2 3.61Å; V421-W475 HydrophobicContact CG1-CE3 3.85Å; V421-W475 HydrophobicContact CG1-CG 3.94Å; V421-W475 HydrophobicContact CG1-CH2 4.37Å; V421-W475 HydrophobicContact CG1-CZ2 4.21Å; V421-W475 HydrophobicContact CG1-CZ3 4.2Å; V421-W475 HydrophobicContact CG2-CB 4.27Å; V421-W475 HydrophobicContact CG2-CD2 4.43Å; V421-W475 HydrophobicContact CG2-CE3 4.3Å; V421-W475 HydrophobicContact CG2-CG 4.43Å; V421-S517 VanDerWaalsContact O-CB 3.31Å; V421-S517 WeakPolarHBondContact O-CB 2.93Å; V421-R522 PolarHBondContact O-NH1 2.97Å; V421-R522 PolarHBondContact O-NH2 2.96Å
422	S	93.1	Very high	78.6	Confident	55 Å²	55	65.7 Å²	65.7	39%	0.385	36%	0.362	S	S	.	.	P	Polyproline II helix	trans	-68.3	143.5	176.2	177.8	0	0	0	0	111.4	S420 N424 A425	S420-S422 PolarHBondContact O-N 2.98Å; S422-N424 PolarHBondContact O-N 3.49Å; S422-N424 VanDerWaalsContact O-N 3.17Å; S422-N424 PolarHBondContact OG-N 3.23Å; S422-A425 VanDerWaalsContact O-CB 3.24Å; S422-A425 WeakPolarHBondContact O-CB 3.24Å; S422-A425 PolarHBondContact O-N 2.92Å
423	T	88.7	Confident	80.3	Confident	58 Å²	58	62.3 Å²	62.3	36%	0.356	34%	0.337	S	S	.	.	T	Hydrogen-bonded Turn	trans	-56.8	-29	173.5	53.6	0	0	0	0	113.1	A425 L426 H515	T423-A425 PolarHBondContact O-N 2.6Å; T423-L426 WeakPolarHBondContact O-CB 3.33Å; T423-L426 PolarHBondContact O-N 2.97Å; T423-H515 WeakPolarHBondContact CG2-O 3.42Å
424	N	91.1	Very high	81.8	Confident	112 Å²	112	63.2 Å²	63.2	60%	0.599	33%	0.333	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.4	-21	177.3	-69.3	-19.1	0	0	0	113.5	S422 L426 N427	S422-N424 PolarHBondContact O-N 3.49Å; S422-N424 VanDerWaalsContact O-N 3.17Å; S422-N424 PolarHBondContact OG-N 3.23Å; N424-L426 PolarHBondContact O-N 3.32Å; N424-N427 PolarHBondContact O-N 3.26Å
425	A	91.7	Very high	83.1	Confident	12 Å²	12	62.6 Å²	62.6	10%	0.099	32%	0.324	C	S	.	.	H	α-helix	trans	-61.9	-27.7	178.1	0	0	0	0	0	112.2	V421 S422 T423 N427 K428 W475	V421-A425 HydrophobicContact CG1-CB 3.73Å; S422-A425 VanDerWaalsContact O-CB 3.24Å; S422-A425 WeakPolarHBondContact O-CB 3.24Å; S422-A425 PolarHBondContact O-N 2.92Å; T423-A425 PolarHBondContact O-N 2.6Å; A425-N427 VanDerWaalsContact C-N 3.29Å; A425-N427 PolarHBondContact O-N 3.32Å; A425-K428 PolarHBondContact O-N 3.42Å; A425-W475 HydrophobicContact CB-CH2 3.73Å; A425-W475 HydrophobicContact CB-CZ2 3.78Å
426	L	92.2	Very high	83.9	Confident	11 Å²	11	56.6 Å²	56.6	6%	0.058	30%	0.296	C	S	.	.	H	α-helix	trans	-61.1	-35.6	-179.1	-176.3	62.5	0	0	0	112.6	T423 N424 K428 V429 L430 T479 Y483 V514 H515	T423-L426 WeakPolarHBondContact O-CB 3.33Å; T423-L426 PolarHBondContact O-N 2.97Å; N424-L426 PolarHBondContact O-N 3.32Å; L426-K428 VanDerWaalsContact C-N 3.29Å; L426-K428 PolarHBondContact O-N 3.23Å; L426-V429 PolarHBondContact O-N 3.37Å; L426-V429 VanDerWaalsContact O-N 3.14Å; L426-L430 HydrophobicContact CD1-CD1 4.21Å; L426-L430 HydrophobicContact CD1-CD2 4.16Å; L426-L430 HydrophobicContact CD1-CG 3.86Å; L426-L430 HydrophobicContact CD2-CD1 4.07Å; L426-L430 HydrophobicContact CG-CD1 3.74Å; L426-L430 HydrophobicContact CG-CG 3.87Å; L426-L430 WeakPolarHBondContact O-CG 3.38Å; L426-L430 PolarHBondContact O-N 2.92Å; L426-T479 HydrophobicContact CD1-CG2 3.99Å; L426-Y483 HydrophobicContact CD1-CD2 4.32Å; L426-Y483 HydrophobicContact CD1-CE2 4.15Å; L426-V514 HydrophobicContact CD1-CG1 3.88Å; L426-V514 HydrophobicContact CD2-CG1 3.94Å; L426-V514 HydrophobicContact CG-CG1 4.48Å; L426-H515 WeakPolarHBondContact CD2-CE1 3.44Å
427	N	90.8	Very high	84.7	Confident	96 Å²	96	55.7 Å²	55.7	51%	0.513	29%	0.291	S	S	.	.	H	α-helix	trans	-59.2	-40.8	-177.2	-69	-21.5	0	0	0	112.1	N424 A425 N431	N424-N427 PolarHBondContact O-N 3.26Å; A425-N427 VanDerWaalsContact C-N 3.29Å; A425-N427 PolarHBondContact O-N 3.32Å; N427-N431 WeakPolarHBondContact O-CB 3.09Å; N427-N431 PolarHBondContact O-N 3.44Å; N427-N431 VanDerWaalsContact O-N 3.1Å; N427-N431 PolarHBondContact O-ND2 2.03Å
428	K	89.8	Confident	84.9	Confident	59 Å²	59	47.9 Å²	47.9	26%	0.257	26%	0.258	S	S	.	.	H	α-helix	trans	-69.6	-39.7	178.1	-175.6	169.8	179.8	172.9	0	112	A425 L426 G432 P454 C455 L456 H457	A425-K428 PolarHBondContact O-N 3.42Å; L426-K428 VanDerWaalsContact C-N 3.29Å; L426-K428 PolarHBondContact O-N 3.23Å; K428-G432 PolarHBondContact O-N 3.34Å; K428-P454 WeakPolarHBondContact CE-O 3.05Å; K428-C455 WeakPolarHBondContact CG-O 3.38Å; K428-L456 WeakPolarHBondContact CE-O 3.46Å; K428-L456 PolarHBondContact NZ-O 2.92Å; K428-H457 WeakPolarHBondContact CB-NE2 3.47Å; K428-H457 WeakPolarHBondContact CD-NE2 3.11Å
429	V	89.5	Confident	84.1	Confident	0 Å²	0	48.4 Å²	48.4	0%	0	26%	0.26	C	S	.	.	H	α-helix	trans	-64.9	-48.2	177.1	179.4	0	0	0	0	110.8	F374 L426 N431 G432 L433 C455 W475 T479	F374-V429 HydrophobicContact CB-CG1 4.26Å; F374-V429 HydrophobicContact CD1-CG1 3.66Å; F374-V429 HydrophobicContact CD1-CG2 4.45Å; F374-V429 HydrophobicContact CD2-CG1 4.04Å; F374-V429 HydrophobicContact CD2-CG2 4.39Å; F374-V429 HydrophobicContact CE1-CG1 3.91Å; F374-V429 HydrophobicContact CE1-CG2 3.87Å; F374-V429 HydrophobicContact CE2-CG1 4.3Å; F374-V429 HydrophobicContact CE2-CG2 3.84Å; F374-V429 HydrophobicContact CG-CG1 3.71Å; F374-V429 HydrophobicContact CZ-CG1 4.23Å; F374-V429 HydrophobicContact CZ-CG2 3.54Å; L426-V429 PolarHBondContact O-N 3.37Å; L426-V429 VanDerWaalsContact O-N 3.14Å; V429-N431 PolarHBondContact O-N 3.2Å; V429-G432 CarbonylContact O-C 3.53Å; V429-G432 PolarHBondContact O-N 3.16Å; V429-G432 VanDerWaalsContact O-N 3.15Å; V429-L433 HydrophobicContact CG1-CD1 3.72Å; V429-L433 HydrophobicContact CG1-CG 4.07Å; V429-L433 WeakPolarHBondContact O-CB 3.32Å; V429-L433 WeakPolarHBondContact O-CG 3.2Å; V429-L433 PolarHBondContact O-N 3.43Å; V429-C455 HydrophobicContact CG2-CB 4.29Å; V429-W475 HydrophobicContact CG2-CH2 3.5Å; V429-W475 VanDerWaalsContact CG2-CH2 3.5Å; V429-W475 HydrophobicContact CG2-CZ2 4.15Å; V429-W475 HydrophobicContact CG2-CZ3 4.35Å; V429-T479 HydrophobicContact CG1-CG2 3.84Å
430	L	87.7	Confident	83	Confident	44 Å²	44	48 Å²	48	23%	0.23	26%	0.26	C	S	.	.	H	α-helix	trans	-61	-45.2	179.5	-68.7	179.3	0	0	0	111.8	L426 G432 L433 Q434 Y483	L426-L430 HydrophobicContact CD1-CD1 4.21Å; L426-L430 HydrophobicContact CD1-CD2 4.16Å; L426-L430 HydrophobicContact CD1-CG 3.86Å; L426-L430 HydrophobicContact CD2-CD1 4.07Å; L426-L430 HydrophobicContact CG-CD1 3.74Å; L426-L430 HydrophobicContact CG-CG 3.87Å; L426-L430 WeakPolarHBondContact O-CG 3.38Å; L426-L430 PolarHBondContact O-N 2.92Å; L430-G432 VanDerWaalsContact C-N 3.3Å; L430-G432 PolarHBondContact O-N 3.14Å; L430-L433 PolarHBondContact O-N 2.81Å; L430-Q434 WeakPolarHBondContact O-CB 3.33Å; L430-Q434 VanDerWaalsContact O-CG 3.29Å; L430-Q434 WeakPolarHBondContact O-CG 3.47Å; L430-Q434 PolarHBondContact O-N 2.9Å; L430-Y483 HydrophobicContact CD2-CD1 3.78Å; L430-Y483 HydrophobicContact CD2-CD2 3.92Å; L430-Y483 HydrophobicContact CD2-CE1 4.12Å; L430-Y483 HydrophobicContact CD2-CE2 4.25Å; L430-Y483 HydrophobicContact CD2-CG 3.67Å
431	N	83.9	Confident	81.9	Confident	95 Å²	95	50.3 Å²	50.3	51%	0.508	27%	0.27	S	S	.	.	H	α-helix	trans	-60.4	-41.6	175.3	-71.7	-13.2	0	0	0	111.5	N427 V429 L435	N427-N431 WeakPolarHBondContact O-CB 3.09Å; N427-N431 PolarHBondContact O-N 3.44Å; N427-N431 VanDerWaalsContact O-N 3.1Å; N427-N431 PolarHBondContact O-ND2 2.03Å; V429-N431 PolarHBondContact O-N 3.2Å; N431-L435 WeakPolarHBondContact O-CB 3.42Å; N431-L435 VanDerWaalsContact O-CG 3.29Å; N431-L435 WeakPolarHBondContact O-CG 2.76Å; N431-L435 PolarHBondContact O-N 3.29Å
432	G	81.4	Confident	80.7	Confident	9 Å²	9	50.6 Å²	50.6	9%	0.093	27%	0.271	C	S	.	.	H	α-helix	trans	-70.6	-38.6	178.2	0	0	0	0	0	113.4	K428 V429 L430 L435 H436 N437 C438 C455	K428-G432 PolarHBondContact O-N 3.34Å; V429-G432 CarbonylContact O-C 3.53Å; V429-G432 PolarHBondContact O-N 3.16Å; V429-G432 VanDerWaalsContact O-N 3.15Å; L430-G432 VanDerWaalsContact C-N 3.3Å; L430-G432 PolarHBondContact O-N 3.14Å; G432-L435 CarbonylContact O-C 3.56Å; G432-L435 PolarHBondContact O-N 3.12Å; G432-H436 CarbonylContact O-C 3.58Å; G432-H436 WeakPolarHBondContact O-CA 3.03Å; G432-H436 PolarHBondContact O-N 3.17Å; G432-N437 PolarHBondContact O-N 2.98Å; G432-C438 VanDerWaalsContact C-SG 3.54Å; G432-C438 PolarHBondContact O-N 3.34Å; G432-C455 VanDerWaalsContact CA-SG 3.58Å
433	L	78.9	Confident	79.6	Confident	13 Å²	13	51 Å²	51	7%	0.068	27%	0.274	C	S	.	.	H	α-helix	trans	-66.6	-43.3	176.5	-74.2	174.5	0	0	0	111.6	F374 V429 L430 L435 H436 C438	F374-L433 HydrophobicContact CB-CD1 4.41Å; F374-L433 HydrophobicContact CB-CD2 3.93Å; F374-L433 HydrophobicContact CB-CG 4.45Å; V429-L433 HydrophobicContact CG1-CD1 3.72Å; V429-L433 HydrophobicContact CG1-CG 4.07Å; V429-L433 WeakPolarHBondContact O-CB 3.32Å; V429-L433 WeakPolarHBondContact O-CG 3.2Å; V429-L433 PolarHBondContact O-N 3.43Å; L430-L433 PolarHBondContact O-N 2.81Å; L433-L435 PolarHBondContact O-N 3.43Å; L433-H436 PolarHBondContact O-N 2.99Å; L433-H436 VanDerWaalsContact O-N 3.08Å; L433-H436 PolarHBondContact O-ND1 3.29Å; L433-C438 HydrophobicContact CD2-CB 4.21Å; L433-C438 PolarHBondContact N-SG 3.4Å
434	Q	72.5	Confident	79	Confident	135 Å²	135	51.9 Å²	51.9	63%	0.631	28%	0.28	S	S	*	.	H	α-helix	trans	-60.2	-34.2	175.8	-75.6	177.4	-8.1	0	0	112.7	L430	L430-Q434 WeakPolarHBondContact O-CB 3.33Å; L430-Q434 VanDerWaalsContact O-CG 3.29Å; L430-Q434 WeakPolarHBondContact O-CG 3.47Å; L430-Q434 PolarHBondContact O-N 2.9Å
435	L	70.2	Confident	78.3	Confident	113 Å²	113	47.3 Å²	47.3	59%	0.592	26%	0.257	S	S	*	.	T	Hydrogen-bonded Turn	trans	-93	1.2	178.2	-62.2	172.2	0	0	0	113.2	N431 G432 L433 N437	N431-L435 WeakPolarHBondContact O-CB 3.42Å; N431-L435 VanDerWaalsContact O-CG 3.29Å; N431-L435 WeakPolarHBondContact O-CG 2.76Å; N431-L435 PolarHBondContact O-N 3.29Å; G432-L435 CarbonylContact O-C 3.56Å; G432-L435 PolarHBondContact O-N 3.12Å; L433-L435 PolarHBondContact O-N 3.43Å; L435-N437 HydrophobicContact CB-CB 4.2Å; L435-N437 WeakPolarHBondContact CB-ND2 3.43Å; L435-N437 PolarHBondContact O-N 3.25Å; L435-N437 PolarHBondContact O-OD1 3.08Å
436	H	65.8	Low	77.7	Confident	49 Å²	49	46.8 Å²	46.8	23%	0.227	25%	0.252	C	S	.	.	T	Hydrogen-bonded Turn	trans	51.8	26.7	-168.5	-41.3	-61.6	0	0	0	114.7	G432 L433 N486 K488	G432-H436 CarbonylContact O-C 3.58Å; G432-H436 WeakPolarHBondContact O-CA 3.03Å; G432-H436 PolarHBondContact O-N 3.17Å; L433-H436 PolarHBondContact O-N 2.99Å; L433-H436 VanDerWaalsContact O-N 3.08Å; L433-H436 PolarHBondContact O-ND1 3.29Å; H436-N486 PolarHBondContact CE1-O 2.66Å; H436-N486 PolarHBondContact ND1-O 3.24Å; H436-K488 VanDerWaalsContact CD2-CD 3.49Å; H436-K488 WeakPolarHBondContact CD2-CD 3.36Å; H436-K488 WeakPolarHBondContact NE2-CD 3.25Å; H436-K488 VanDerWaalsContact NE2-CE 3.33Å; H436-K488 WeakPolarHBondContact NE2-CE 3.49Å; H436-K488 VanDerWaalsContact NE2-CG 3.33Å; H436-K488 WeakPolarHBondContact NE2-CG 3.3Å
437	N	71.3	Confident	77.3	Confident	77 Å²	77	46.2 Å²	46.2	41%	0.412	25%	0.249	S	C	.	.			trans	-92.2	2.7	-178.3	-73.7	-18.5	0	0	0	113.2	G432 L435 F439 G440 P454	G432-N437 PolarHBondContact O-N 2.98Å; L435-N437 HydrophobicContact CB-CB 4.2Å; L435-N437 WeakPolarHBondContact CB-ND2 3.43Å; L435-N437 PolarHBondContact O-N 3.25Å; L435-N437 PolarHBondContact O-OD1 3.08Å; N437-F439 VanDerWaalsContact C-N 3.3Å; N437-G440 VanDerWaalsContact C-N 3.28Å; N437-G440 WeakPolarHBondContact O-CA 3.18Å; N437-G440 PolarHBondContact O-N 3.43Å; N437-P454 WeakPolarHBondContact O-CB 3.46Å
438	C	77.4	Confident	76.8	Confident	2 Å²	2	41.7 Å²	41.7	1%	0.014	23%	0.225	C	C	.	.	T	Hydrogen-bonded Turn	trans	-71.5	-27.6	173.1	-70.1	0	0	0	0	113.2	G432 L433 G440 C455	G432-C438 VanDerWaalsContact C-SG 3.54Å; G432-C438 PolarHBondContact O-N 3.34Å; L433-C438 HydrophobicContact CD2-CB 4.21Å; L433-C438 PolarHBondContact N-SG 3.4Å; C438-G440 PolarHBondContact O-N 2.86Å; C438-C455 WeakPolarHBondContact CA-SG 3.4Å; C438-C455 HydrophobicContact CB-CB 3.86Å; C438-C455 WeakPolarHBondContact CB-SG 3.4Å; C438-C455 WeakPolarHBondContact SG-CB 3.44Å; C438-C455 CovalentContact SG-SG 2.03Å; C438-C455 PolarHBondContact SG-SG 3.45Å
439	F	69.5	Low	76.1	Confident	32 Å²	32	42.2 Å²	42.2	14%	0.14	23%	0.231	C	C	.	.	T	Hydrogen-bonded Turn	trans	-66.3	-8.9	159.5	-67	-72.9	0	0	0	112.4	V122 D373 D375 S378 H396 N437 I442	V122-F439 HydrophobicContact CG1-CE1 4.4Å; V122-F439 HydrophobicContact CG2-CE1 4.08Å; D373-F439 WeakPolarHBondContact OD2-CD1 3.22Å; D373-F439 WeakPolarHBondContact OD2-CE1 3.31Å; D375-F439 HydrophobicContact CB-CD2 4.45Å; D375-F439 HydrophobicContact CB-CE1 3.92Å; D375-F439 HydrophobicContact CB-CE2 3.42Å; D375-F439 VanDerWaalsContact CB-CE2 3.42Å; D375-F439 HydrophobicContact CB-CZ 3.14Å; D375-F439 VanDerWaalsContact OD2-CZ 3.23Å; D375-F439 WeakPolarHBondContact OD2-CZ 3.43Å; S378-F439 VanDerWaalsContact OG-CE1 3.22Å; S378-F439 WeakPolarHBondContact OG-CE1 3.48Å; S378-F439 WeakPolarHBondContact OG-CZ 3.37Å; H396-F439 PolarHBondContact CE1-O 3.45Å; H396-F439 VanDerWaalsContact CE1-O 3.23Å; N437-F439 VanDerWaalsContact C-N 3.3Å; F439-I442 HydrophobicContact CB-CD1 4.37Å; F439-I442 WeakPolarHBondContact O-CD1 3.1Å; F439-I442 WeakPolarHBondContact O-CG1 3.4Å
440	G	68.5	Low	75.4	Confident	8 Å²	8	43.3 Å²	43.3	8%	0.082	24%	0.242	C	C	.	.	T	Hydrogen-bonded Turn	trans	67.5	-174.9	-165.7	0	0	0	0	0	110.7	N437 C438 I442	N437-G440 VanDerWaalsContact C-N 3.28Å; N437-G440 WeakPolarHBondContact O-CA 3.18Å; N437-G440 PolarHBondContact O-N 3.43Å; C438-G440 PolarHBondContact O-N 2.86Å; G440-I442 PolarHBondContact O-N 3.45Å; G440-I442 VanDerWaalsContact O-N 3.07Å
441	N	71.4	Confident	74.8	Confident	77 Å²	77	42.9 Å²	42.9	41%	0.412	24%	0.24	S	C	.	.	T	Hydrogen-bonded Turn	trans	-85.4	38.5	176.4	-156.9	-4.6	0	0	0	110.7	S443 T444 S445	N441-S443 PolarHBondContact O-N 2.81Å; N441-S443 VanDerWaalsContact O-N 3.15Å; N441-T444 PolarHBondContact ND2-OG1 3.41Å; N441-T444 CarbonylContact O-C 3.58Å; N441-T444 PolarHBondContact O-N 3.05Å; N441-T444 PolarHBondContact O-OG1 3.35Å; N441-T444 WeakPolarHBondContact OD1-CG2 3.31Å; N441-T444 PolarHBondContact OD1-OG1 3.24Å; N441-S445 WeakPolarHBondContact O-CB 3.35Å; N441-S445 PolarHBondContact O-N 3.09Å; N441-S445 PolarHBondContact O-OG 3.5Å
442	I	69.9	Low	74.9	Confident	5 Å²	5	39.9 Å²	39.9	3%	0.026	22%	0.224	C	C	.	.	H	α-helix	trans	-51.5	-43.7	-172.7	-75.1	163.9	0	0	0	111.2	G144 A147 R395 F439 G440 T444 S445 G446 D447	G144-I442 WeakPolarHBondContact O-CG2 3.5Å; A147-I442 HydrophobicContact CB-CG2 4.14Å; A147-I442 WeakPolarHBondContact CB-O 3.35Å; R395-I442 HydrophobicContact CG-CD1 4.49Å; F439-I442 HydrophobicContact CB-CD1 4.37Å; F439-I442 WeakPolarHBondContact O-CD1 3.1Å; F439-I442 WeakPolarHBondContact O-CG1 3.4Å; G440-I442 PolarHBondContact O-N 3.45Å; G440-I442 VanDerWaalsContact O-N 3.07Å; I442-T444 PolarHBondContact O-N 3.14Å; I442-S445 WeakPolarHBondContact CA-OG 3.02Å; I442-S445 PolarHBondContact O-N 3.25Å; I442-G446 PolarHBondContact O-N 3.34Å; I442-D447 WeakPolarHBondContact CG1-O 2.99Å
443	S	69.1	Low	75.3	Confident	63 Å²	63	39.5 Å²	39.5	44%	0.441	22%	0.219	S	C	.	.	H	α-helix	trans	-52.3	-29.4	-178.1	53.4	0	0	0	0	112.5	N441	N441-S443 PolarHBondContact O-N 2.81Å; N441-S443 VanDerWaalsContact O-N 3.15Å
444	T	76	Confident	75.7	Confident	77 Å²	77	40.2 Å²	40.2	47%	0.472	23%	0.225	S	C	.	.	H	α-helix	trans	-106.2	-34.7	176.4	67.7	0	0	0	0	113.6	N441 I442	N441-T444 PolarHBondContact ND2-OG1 3.41Å; N441-T444 CarbonylContact O-C 3.58Å; N441-T444 PolarHBondContact O-N 3.05Å; N441-T444 PolarHBondContact O-OG1 3.35Å; N441-T444 WeakPolarHBondContact OD1-CG2 3.31Å; N441-T444 PolarHBondContact OD1-OG1 3.24Å; I442-T444 PolarHBondContact O-N 3.14Å
445	S	76.6	Confident	76.6	Confident	17 Å²	17	33.9 Å²	33.9	12%	0.119	20%	0.196	C	C	.	.	H	α-helix	trans	-78.1	-22.9	-172	78.6	0	0	0	0	113.4	A155 R158 N441 I442 D447	A155-S445 VanDerWaalsContact CB-O 3.25Å; A155-S445 WeakPolarHBondContact CB-O 3.37Å; R158-S445 PolarHBondContact NH2-O 2.96Å; N441-S445 WeakPolarHBondContact O-CB 3.35Å; N441-S445 PolarHBondContact O-N 3.09Å; N441-S445 PolarHBondContact O-OG 3.5Å; I442-S445 WeakPolarHBondContact CA-OG 3.02Å; I442-S445 PolarHBondContact O-N 3.25Å; S445-D447 VanDerWaalsContact C-N 3.27Å; S445-D447 WeakPolarHBondContact CB-OD1 3.3Å; S445-D447 PolarHBondContact O-N 2.98Å; S445-D447 PolarHBondContact OG-OD1 3.41Å
446	G	79.8	Confident	77.6	Confident	0 Å²	0	28.7 Å²	28.7	0%	0	17%	0.168	C	C	.	.			trans	74.8	6.4	175.5	0	0	0	0	0	115.9	A151 I442	A151-G446 WeakPolarHBondContact O-CA 3.06Å; I442-G446 PolarHBondContact O-N 3.34Å
447	D	83	Confident	78.8	Confident	0 Å²	0	30.3 Å²	30.3	0%	0	18%	0.176	C	C	.	.	S	Bend	trans	-150.3	-169.8	-169.8	68.1	-18.8	0	0	0	112.4	A155 R158 R159 I278 I442 S445 N449	A155-D447 HydrophobicContact CB-CB 4.03Å; R158-D447 IonicContact CZ-OD2 3.15Å; R158-D447 IonicContact NH1-OD2 2.66Å; R158-D447 IonicContact NH2-OD1 3.89Å; R158-D447 PolarHBondContact NH2-OD1 3.4Å; R158-D447 VanDerWaalsContact NH2-OD1 3.15Å; R158-D447 IonicContact NH2-OD2 3.13Å; R158-D447 PolarHBondContact NH2-OD2 3.29Å; R159-D447 IonicContact CZ-OD2 3.86Å; R159-D447 VanDerWaalsContact NH1-CG 3.26Å; R159-D447 IonicContact NH1-OD2 2.78Å; R159-D447 PolarHBondContact NH1-OD2 3.23Å; R159-D447 IonicContact NH2-OD2 3.18Å; R159-D447 PolarHBondContact NH2-OD2 2.65Å; I278-D447 HydrophobicContact CD1-CB 3.88Å; I278-D447 CarbonylContact O-C 3.51Å; I442-D447 WeakPolarHBondContact CG1-O 2.99Å; S445-D447 VanDerWaalsContact C-N 3.27Å; S445-D447 WeakPolarHBondContact CB-OD1 3.3Å; S445-D447 PolarHBondContact O-N 2.98Å; S445-D447 PolarHBondContact OG-OD1 3.41Å; D447-N449 PolarHBondContact O-N 3.23Å; D447-N449 VanDerWaalsContact O-N 3.08Å; D447-N449 VanDerWaalsContact OD1-CA 3.3Å; D447-N449 WeakPolarHBondContact OD1-CA 3.26Å; D447-N449 PolarHBondContact OD1-N 3.12Å
448	T	80.3	Confident	79.6	Confident	0 Å²	0	30 Å²	30	0%	0	18%	0.177	C	C	.	.			trans	-68.5	4.3	171.7	62.2	0	0	0	0	114.7	A277 I278 P280 R395 G450	A277-T448 PolarHBondContact O-N 2.92Å; A277-T448 PolarHBondContact O-OG1 3.32Å; I278-T448 PolarHBondContact O-N 3.33Å; P280-T448 HydrophobicContact CG-CG2 4.03Å; R395-T448 HydrophobicContact CG-CG2 4.09Å; T448-G450 PolarHBondContact O-N 2.04Å; T448-G450 PolarHBondContact OG1-O 3.18Å
449	N	74.9	Confident	80.2	Confident	71 Å²	71	35 Å²	35	38%	0.38	20%	0.203	S	C	.	.	S	Bend	trans	53.3	34.5	-176.7	-162.8	36.7	0	0	0	114.5	D447	D447-N449 PolarHBondContact O-N 3.23Å; D447-N449 VanDerWaalsContact O-N 3.08Å; D447-N449 VanDerWaalsContact OD1-CA 3.3Å; D447-N449 WeakPolarHBondContact OD1-CA 3.26Å; D447-N449 PolarHBondContact OD1-N 3.12Å
450	G	75.5	Confident	81.3	Confident	23 Å²	23	34.1 Å²	34.1	24%	0.237	20%	0.2	C	C	.	.	S	Bend	trans	115.3	-161.8	178.9	0	0	0	0	0	113.6	P235 T448	P235-G450 VanDerWaalsContact CD-O 3.31Å; P235-G450 WeakPolarHBondContact CD-O 3.35Å; T448-G450 PolarHBondContact O-N 2.04Å; T448-G450 PolarHBondContact OG1-O 3.18Å
451	N	75.7	Confident	82.4	Confident	34 Å²	34	33.8 Å²	33.8	18%	0.182	20%	0.196	C	C	.	.	S	Bend	trans	-103.5	2.8	-175	66.6	-35.9	0	0	0	114.3	S231 S232 R238	S231-N451 PolarHBondContact O-ND2 3.44Å; S232-N451 WeakPolarHBondContact CA-ND2 3.48Å; R238-N451 PolarHBondContact NH1-ND2 3.35Å
452	I	86.1	Confident	83.2	Confident	33 Å²	33	31.4 Å²	31.4	17%	0.169	18%	0.183	C	C	.	.	S	Bend	trans	-128.3	130.2	-176.9	-62.8	165.5	0	0	0	106.6	L456 T458 V461	I452-L456 WeakPolarHBondContact CG2-O 3.16Å; I452-T458 HydrophobicContact CD1-CG2 3.75Å; I452-T458 VanDerWaalsContact CD1-OG1 3.31Å; I452-T458 WeakPolarHBondContact CD1-OG1 3.49Å; I452-V461 HydrophobicContact CG2-CG2 4.09Å
453	P	89.7	Confident	84.2	Confident	0 Å²	0	34 Å²	34	0%	0	20%	0.197	C	C	.	.			trans	-53.5	134.5	173.5	-31.2	40.7	0	0	0	111.3	P235 H396 I398 C455 L456	P235-P453 HydrophobicContact CB-CG 4.19Å; H396-P453 HydrophobicContact CB-CB 3.98Å; H396-P453 HydrophobicContact CB-CG 4.12Å; H396-P453 VanDerWaalsContact O-CG 3.28Å; H396-P453 WeakPolarHBondContact O-CG 3.39Å; I398-P453 HydrophobicContact CD1-CG 3.77Å; I398-P453 HydrophobicContact CG1-CG 4.05Å; P453-C455 PolarHBondContact O-N 3.49Å; P453-L456 HydrophobicContact CB-CB 4.22Å; P453-L456 HydrophobicContact CB-CD1 3.9Å; P453-L456 HydrophobicContact CB-CG 3.98Å; P453-L456 HydrophobicContact CG-CD1 3.94Å; P453-L456 PolarHBondContact O-N 3.08Å
454	P	87.4	Confident	85.3	Confident	28 Å²	28	31 Å²	31	18%	0.182	18%	0.176	C	C	.	.	T	Hydrogen-bonded Turn	trans	-52.3	-35.7	-172.1	-31.5	37	0	0	0	114.8	K428 N437	K428-P454 WeakPolarHBondContact CE-O 3.05Å; N437-P454 WeakPolarHBondContact O-CB 3.46Å
455	C	89.6	Confident	85.9	Confident	3 Å²	3	27.5 Å²	27.5	2%	0.02	16%	0.155	C	C	.	.	T	Hydrogen-bonded Turn	trans	-93.3	6.2	-179.3	-82.3	0	0	0	0	115.6	F374 K428 V429 G432 C438 P453	F374-C455 HydrophobicContact CD2-CB 4.05Å; F374-C455 HydrophobicContact CE2-CB 3.97Å; K428-C455 WeakPolarHBondContact CG-O 3.38Å; V429-C455 HydrophobicContact CG2-CB 4.29Å; G432-C455 VanDerWaalsContact CA-SG 3.58Å; C438-C455 WeakPolarHBondContact CA-SG 3.4Å; C438-C455 HydrophobicContact CB-CB 3.86Å; C438-C455 WeakPolarHBondContact CB-SG 3.4Å; C438-C455 WeakPolarHBondContact SG-CB 3.44Å; C438-C455 CovalentContact SG-SG 2.03Å; C438-C455 PolarHBondContact SG-SG 3.45Å; P453-C455 PolarHBondContact O-N 3.49Å
456	L	91.7	Very high	86.4	Confident	3 Å²	3	29.2 Å²	29.2	2%	0.016	17%	0.167	C	C	.	.	S	Bend	trans	-113.1	143.5	177.3	-59.5	-177	0	0	0	111.4	F374 I398 K428 I452 P453 V461 W475	F374-L456 HydrophobicContact CE2-CD2 4.1Å; F374-L456 HydrophobicContact CZ-CD2 3.96Å; I398-L456 HydrophobicContact CD1-CD1 4.2Å; K428-L456 WeakPolarHBondContact CE-O 3.46Å; K428-L456 PolarHBondContact NZ-O 2.92Å; I452-L456 WeakPolarHBondContact CG2-O 3.16Å; P453-L456 HydrophobicContact CB-CB 4.22Å; P453-L456 HydrophobicContact CB-CD1 3.9Å; P453-L456 HydrophobicContact CB-CG 3.98Å; P453-L456 HydrophobicContact CG-CD1 3.94Å; P453-L456 PolarHBondContact O-N 3.08Å; L456-V461 HydrophobicContact CB-CG2 3.71Å; L456-V461 HydrophobicContact CD1-CG2 4.01Å; L456-W475 HydrophobicContact CD2-CZ3 4.1Å
457	H	90.5	Very high	86.8	Confident	84 Å²	84	32.4 Å²	32.4	39%	0.389	18%	0.179	S	C	.	.			trans	-79.3	152	173.8	-68.6	-85.8	0	0	0	111.2	K428 N459 H460 V461	K428-H457 WeakPolarHBondContact CB-NE2 3.47Å; K428-H457 WeakPolarHBondContact CD-NE2 3.11Å; H457-N459 VanDerWaalsContact C-N 3.31Å; H457-N459 WeakPolarHBondContact CB-OD1 3.18Å; H457-N459 PolarHBondContact O-N 3.35Å; H457-H460 HydrophobicContact CB-CB 4.37Å; H457-H460 WeakPolarHBondContact O-CB 3.26Å; H457-H460 PolarHBondContact O-N 3.22Å; H457-H460 VanDerWaalsContact O-N 3.14Å; H457-V461 PolarHBondContact O-N 3.04Å; H457-V461 VanDerWaalsContact O-N 3.09Å
458	T	89.5	Confident	86.8	Confident	71 Å²	71	35.2 Å²	35.2	44%	0.436	19%	0.192	S	C	.	.	H	α-helix	trans	-55.4	-45.1	178.6	-46.7	0	0	0	0	112.2	I452 H460 V461 D462	I452-T458 HydrophobicContact CD1-CG2 3.75Å; I452-T458 VanDerWaalsContact CD1-OG1 3.31Å; I452-T458 WeakPolarHBondContact CD1-OG1 3.49Å; T458-H460 VanDerWaalsContact C-N 3.34Å; T458-H460 PolarHBondContact O-N 2.72Å; T458-V461 PolarHBondContact O-N 3.11Å; T458-D462 VanDerWaalsContact O-CB 3.26Å; T458-D462 WeakPolarHBondContact O-CB 3.32Å; T458-D462 PolarHBondContact O-N 2.92Å
459	N	89.5	Confident	87.2	Confident	106 Å²	106	37.2 Å²	37.2	57%	0.567	21%	0.205	S	C	*	.	H	α-helix	trans	-63.1	-38.4	178.8	62.3	-19.1	0	0	0	112.6	H457 D462 N463	H457-N459 VanDerWaalsContact C-N 3.31Å; H457-N459 WeakPolarHBondContact CB-OD1 3.18Å; H457-N459 PolarHBondContact O-N 3.35Å; N459-D462 PolarHBondContact O-N 3.19Å; N459-N463 PolarHBondContact O-N 2.69Å; N459-N463 PolarHBondContact O-ND2 3.23Å
460	H	92.4	Very high	88.1	Confident	14 Å²	14	33.9 Å²	33.9	7%	0.065	19%	0.187	C	C	.	.	H	α-helix	trans	-60.4	-52.2	175	-179.3	106.9	0	0	0	110.6	H457 T458 D462 N463 L464 H472	H457-H460 HydrophobicContact CB-CB 4.37Å; H457-H460 WeakPolarHBondContact O-CB 3.26Å; H457-H460 PolarHBondContact O-N 3.22Å; H457-H460 VanDerWaalsContact O-N 3.14Å; T458-H460 VanDerWaalsContact C-N 3.34Å; T458-H460 PolarHBondContact O-N 2.72Å; H460-D462 VanDerWaalsContact C-N 3.3Å; H460-D462 PolarHBondContact O-N 3.01Å; H460-N463 WeakPolarHBondContact O-CB 3.3Å; H460-N463 PolarHBondContact O-N 3.35Å; H460-L464 PolarHBondContact O-N 3Å; H460-L464 VanDerWaalsContact O-N 3.12Å; H460-H472 AromaticContact CE1-ND1 3.58Å; H460-H472 AromaticContact NE2-CE1 3.38Å; H460-H472 PolarHBondContact NE2-CE1 2.93Å; H460-H472 AromaticContact NE2-ND1 2.86Å; H460-H472 PolarHBondContact NE2-ND1 2.76Å
461	V	91.1	Very high	89	Confident	0 Å²	0	32.8 Å²	32.8	0%	0	18%	0.176	C	C	.	.	H	α-helix	trans	-64.8	-36.9	179.5	178.8	0	0	0	0	111.7	R238 I398 I452 L456 H457 T458 N463 L464 C465	R238-V461 HydrophobicContact CB-CG1 4.44Å; R238-V461 HydrophobicContact CG-CG1 3.5Å; I398-V461 HydrophobicContact CD1-CB 4.42Å; I398-V461 HydrophobicContact CD1-CG1 3.71Å; I398-V461 HydrophobicContact CD1-CG2 3.96Å; I398-V461 HydrophobicContact CG1-CG1 4.39Å; I452-V461 HydrophobicContact CG2-CG2 4.09Å; L456-V461 HydrophobicContact CB-CG2 3.71Å; L456-V461 HydrophobicContact CD1-CG2 4.01Å; H457-V461 PolarHBondContact O-N 3.04Å; H457-V461 VanDerWaalsContact O-N 3.09Å; T458-V461 PolarHBondContact O-N 3.11Å; V461-N463 VanDerWaalsContact C-N 3.29Å; V461-N463 PolarHBondContact O-N 3.04Å; V461-L464 WeakPolarHBondContact O-CB 3.29Å; V461-L464 PolarHBondContact O-N 2.64Å; V461-L464 VanDerWaalsContact O-N 3.14Å; V461-C465 PolarHBondContact O-N 3.41Å; V461-C465 VanDerWaalsContact O-N 3.16Å; V461-C465 PolarHBondContact O-SG 3.07Å; V461-C465 VanDerWaalsContact O-SG 3.42Å
462	D	89.2	Confident	90	Very high	27 Å²	27	31.2 Å²	31.2	14%	0.144	17%	0.167	C	C	.	.	H	α-helix	trans	-63.4	-35.6	175.5	-76.4	-4	0	0	0	112.8	K230 R238 T458 N459 H460 C465 S466	K230-D462 VanDerWaalsContact CE-OD1 3.31Å; K230-D462 WeakPolarHBondContact CE-OD1 3.21Å; K230-D462 WeakPolarHBondContact CE-OD2 3.48Å; K230-D462 VanDerWaalsContact NZ-CB 3.34Å; K230-D462 IonicContact NZ-OD1 3.75Å; K230-D462 IonicContact NZ-OD2 3.69Å; K230-D462 PolarHBondContact NZ-OD2 3.3Å; R238-D462 IonicContact CZ-OD1 2.85Å; R238-D462 IonicContact NE-OD1 3.6Å; R238-D462 PolarHBondContact NE-OD1 2.92Å; R238-D462 IonicContact NH2-OD1 3.31Å; R238-D462 PolarHBondContact NH2-OD1 3.05Å; R238-D462 IonicContact NH2-OD2 2.66Å; T458-D462 VanDerWaalsContact O-CB 3.26Å; T458-D462 WeakPolarHBondContact O-CB 3.32Å; T458-D462 PolarHBondContact O-N 2.92Å; N459-D462 PolarHBondContact O-N 3.19Å; H460-D462 VanDerWaalsContact C-N 3.3Å; H460-D462 PolarHBondContact O-N 3.01Å; D462-C465 PolarHBondContact O-N 3.07Å; D462-S466 PolarHBondContact O-N 2.95Å; D462-S466 PolarHBondContact O-OG 2.77Å
463	N	90.8	Very high	90.5	Very high	59 Å²	59	29.6 Å²	29.6	32%	0.316	16%	0.159	S	C	.	.	H	α-helix	trans	-66.8	-40.8	172.3	-67.5	-25.2	0	0	0	110.7	N459 H460 V461 C465 S466 Y467	N459-N463 PolarHBondContact O-N 2.69Å; N459-N463 PolarHBondContact O-ND2 3.23Å; H460-N463 WeakPolarHBondContact O-CB 3.3Å; H460-N463 PolarHBondContact O-N 3.35Å; V461-N463 VanDerWaalsContact C-N 3.29Å; V461-N463 PolarHBondContact O-N 3.04Å; N463-C465 PolarHBondContact O-N 3.18Å; N463-S466 PolarHBondContact O-N 3.15Å; N463-Y467 HydrophobicContact CB-CD2 4.4Å; N463-Y467 HydrophobicContact CB-CE2 4.26Å; N463-Y467 WeakPolarHBondContact O-CD2 3.38Å; N463-Y467 PolarHBondContact O-N 2.96Å
464	L	92.1	Very high	90.9	Very high	0 Å²	0	29.9 Å²	29.9	0%	0	16%	0.16	C	C	.	.	H	α-helix	trans	-57.5	-34.9	174.3	-59.5	178.1	0	0	0	112.5	Y370 I398 H460 V461 S466 S470 H472	Y370-L464 HydrophobicContact CD2-CB 3.87Å; Y370-L464 HydrophobicContact CD2-CD1 4.01Å; Y370-L464 HydrophobicContact CD2-CD2 4.16Å; Y370-L464 HydrophobicContact CD2-CG 4.23Å; Y370-L464 HydrophobicContact CE1-CD2 4.46Å; Y370-L464 HydrophobicContact CE2-CB 3.93Å; Y370-L464 HydrophobicContact CE2-CD2 4.07Å; Y370-L464 HydrophobicContact CE2-CG 4.44Å; Y370-L464 HydrophobicContact CG-CD1 4.09Å; Y370-L464 HydrophobicContact CG-CD2 4.38Å; I398-L464 HydrophobicContact CD1-CD1 4.09Å; H460-L464 PolarHBondContact O-N 3Å; H460-L464 VanDerWaalsContact O-N 3.12Å; V461-L464 WeakPolarHBondContact O-CB 3.29Å; V461-L464 PolarHBondContact O-N 2.64Å; V461-L464 VanDerWaalsContact O-N 3.14Å; L464-S466 VanDerWaalsContact C-N 3.25Å; L464-S466 PolarHBondContact O-N 2.74Å; L464-S470 WeakPolarHBondContact CD2-OG 3.47Å; L464-H472 HydrophobicContact CD2-CB 3.66Å
465	C	89.3	Confident	91.3	Very high	5 Å²	5	28.6 Å²	28.6	3%	0.034	15%	0.152	C	C	.	.	T	Hydrogen-bonded Turn	trans	-74.5	-8.6	175.5	-56.5	0	0	0	0	114.8	C239 L405 V461 D462 N463	C239-C465 VanDerWaalsContact CA-SG 3.52Å; C239-C465 HydrophobicContact CB-CB 3.62Å; C239-C465 WeakPolarHBondContact CB-SG 3.1Å; C239-C465 WeakPolarHBondContact SG-CA 3.36Å; C239-C465 WeakPolarHBondContact SG-CB 3.33Å; C239-C465 CovalentContact SG-SG 2.03Å; C239-C465 PolarHBondContact SG-SG 3.1Å; L405-C465 WeakPolarHBondContact CD2-O 3.06Å; V461-C465 PolarHBondContact O-N 3.41Å; V461-C465 VanDerWaalsContact O-N 3.16Å; V461-C465 PolarHBondContact O-SG 3.07Å; V461-C465 VanDerWaalsContact O-SG 3.42Å; D462-C465 PolarHBondContact O-N 3.07Å; N463-C465 PolarHBondContact O-N 3.18Å
466	S	86.9	Confident	91.6	Very high	52 Å²	52	28.4 Å²	28.4	36%	0.364	15%	0.151	S	C	.	.	T	Hydrogen-bonded Turn	trans	-116.8	-6.1	-168.7	-52.6	0	0	0	0	113.8	D462 N463 L464	D462-S466 PolarHBondContact O-N 2.95Å; D462-S466 PolarHBondContact O-OG 2.77Å; N463-S466 PolarHBondContact O-N 3.15Å; L464-S466 VanDerWaalsContact C-N 3.25Å; L464-S466 PolarHBondContact O-N 2.74Å
467	Y	86.9	Confident	91.8	Very high	68 Å²	68	28.3 Å²	28.3	27%	0.267	15%	0.15	S	C	.	.			trans	-119.8	148.7	-176.9	-73.7	-107.1	0	0	0	110.7	L405 N416 H419 N463	L405-Y467 WeakPolarHBondContact CD1-O 3.49Å; N416-Y467 HydrophobicContact CB-CE1 4.09Å; N416-Y467 WeakPolarHBondContact O-CD1 3.34Å; N416-Y467 WeakPolarHBondContact O-CE1 3.34Å; H419-Y467 HydrophobicContact CB-CD1 3.96Å; H419-Y467 HydrophobicContact CB-CD2 3.92Å; H419-Y467 HydrophobicContact CB-CE1 4.48Å; H419-Y467 HydrophobicContact CB-CE2 4.43Å; H419-Y467 HydrophobicContact CB-CG 3.64Å; N463-Y467 HydrophobicContact CB-CD2 4.4Å; N463-Y467 HydrophobicContact CB-CE2 4.26Å; N463-Y467 WeakPolarHBondContact O-CD2 3.38Å; N463-Y467 PolarHBondContact O-N 2.96Å
468	Q	83.2	Confident	92.1	Very high	58 Å²	58	24.3 Å²	24.3	27%	0.271	13%	0.132	S	C	.	.	S	Bend	trans	-70.1	-35.8	-179.6	-66.5	176.2	-13.2	0	0	112.2	T402 I406	T402-Q468 WeakPolarHBondContact CG2-O 3.47Å; I406-Q468 HydrophobicContact CG1-CG 3.99Å
469	T	89.1	Confident	92.3	Very high	43 Å²	43	21 Å²	21	26%	0.264	11%	0.111	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.1	158.9	180	60	0	0	0	0	110.1	K417 E418 H419	K417-T469 PolarHBondContact O-N 2.87Å; K417-T469 PolarHBondContact O-OG1 2.79Å; E418-T469 CarbonylContact C-O 3.55Å; E418-T469 WeakPolarHBondContact CA-O 3.32Å; E418-T469 WeakPolarHBondContact CA-OG1 3.43Å; E418-T469 WeakPolarHBondContact CB-OG1 3.26Å; H419-T469 PolarHBondContact N-O 3.39Å
470	S	93.3	Very high	92.4	Very high	0 Å²	0	15.9 Å²	15.9	0%	0	8%	0.084	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-153	150.6	174	-178.2	0	0	0	0	110.2	Y370 H419 L464 H472 R523	Y370-S470 WeakPolarHBondContact OH-CB 3.31Å; Y370-S470 PolarHBondContact OH-N 3.03Å; H419-S470 PolarHBondContact CD2-OG 3.18Å; H419-S470 WeakPolarHBondContact O-CA 3.45Å; H419-S470 WeakPolarHBondContact O-CB 3.44Å; H419-S470 PolarHBondContact O-OG 3Å; L464-S470 WeakPolarHBondContact CD2-OG 3.47Å; S470-H472 PolarHBondContact O-N 3.18Å; S470-H472 WeakPolarHBondContact OG-CB 3.34Å; S470-H472 PolarHBondContact OG-N 3.5Å; S470-R523 PolarHBondContact O-NH2 3.4Å
471	D	95.5	Very high	92.4	Very high	1 Å²	1	15.4 Å²	15.4	1%	0.005	8%	0.082	C	C	.	.	S	Bend	trans	-84.6	13	170.4	70.3	-7.4	0	0	0	113.2	H419 S420 V421 N473 I474 W475 R522	H419-D471 PolarHBondContact O-N 2.98Å; S420-D471 WeakPolarHBondContact CA-OD1 3.35Å; V421-D471 WeakPolarHBondContact CG2-OD1 3.33Å; V421-D471 PolarHBondContact N-OD1 3.02Å; D471-N473 PolarHBondContact O-N 2.66Å; D471-I474 WeakPolarHBondContact O-CB 3.34Å; D471-I474 PolarHBondContact O-N 3.11Å; D471-W475 PolarHBondContact O-N 2.89Å; D471-R522 HydrophobicContact CB-CB 4.29Å; D471-R522 IonicContact OD1-NH1 3.47Å; D471-R522 VanDerWaalsContact OD2-CD 3.24Å; D471-R522 WeakPolarHBondContact OD2-CD 3.44Å; D471-R522 WeakPolarHBondContact OD2-CG 3.27Å; D471-R522 IonicContact OD2-CZ 3.68Å; D471-R522 IonicContact OD2-NE 3.34Å; D471-R522 IonicContact OD2-NH1 2.63Å; D471-R522 PolarHBondContact OD2-NH1 3.39Å
472	H	96.8	Very high	92.4	Very high	0 Å²	0	16.9 Å²	16.9	0%	0	9%	0.09	C	C	.	.	H	α-helix	trans	-56.3	-47.6	-176.3	176.8	82.8	0	0	0	113.7	Y370 L371 V421 H460 L464 S470 I474 W475 V476	Y370-H472 HydrophobicContact CD1-CB 3.88Å; Y370-H472 AromaticContact CD1-CD2 3.75Å; Y370-H472 HydrophobicContact CE1-CB 4.13Å; Y370-H472 AromaticContact CG-CD2 3.97Å; L371-H472 PolarHBondContact O-NE2 2.72Å; V421-H472 HydrophobicContact CG2-CB 4Å; H460-H472 AromaticContact CE1-ND1 3.58Å; H460-H472 AromaticContact NE2-CE1 3.38Å; H460-H472 PolarHBondContact NE2-CE1 2.93Å; H460-H472 AromaticContact NE2-ND1 2.86Å; H460-H472 PolarHBondContact NE2-ND1 2.76Å; L464-H472 HydrophobicContact CD2-CB 3.66Å; S470-H472 PolarHBondContact O-N 3.18Å; S470-H472 WeakPolarHBondContact OG-CB 3.34Å; S470-H472 PolarHBondContact OG-N 3.5Å; H472-I474 VanDerWaalsContact C-N 3.28Å; H472-I474 PolarHBondContact O-N 3.08Å; H472-W475 PolarHBondContact O-N 3.5Å; H472-V476 VanDerWaalsContact NE2-CG2 3.34Å; H472-V476 WeakPolarHBondContact NE2-CG2 3.38Å; H472-V476 WeakPolarHBondContact O-CG2 3.45Å; H472-V476 PolarHBondContact O-N 3.34Å
473	N	96.8	Very high	92.4	Very high	0 Å²	0	18.6 Å²	18.6	0%	0	10%	0.095	C	C	.	.	H	α-helix	trans	-64.2	-35.6	179.7	-78.1	-21.9	0	0	0	112.2	P338 L341 I369 Y370 L371 D471 I477	P338-N473 HydrophobicContact CB-CB 4.16Å; P338-N473 HydrophobicContact CG-CB 4.48Å; L341-N473 WeakPolarHBondContact CB-ND2 3.31Å; L341-N473 HydrophobicContact CD1-CB 4.38Å; I369-N473 PolarHBondContact O-ND2 3.05Å; Y370-N473 VanDerWaalsContact CA-OD1 3.32Å; Y370-N473 WeakPolarHBondContact CA-OD1 3.12Å; L371-N473 PolarHBondContact N-OD1 3.42Å; D471-N473 PolarHBondContact O-N 2.66Å; N473-I477 VanDerWaalsContact O-CG1 3.29Å; N473-I477 WeakPolarHBondContact O-CG1 2.97Å; N473-I477 PolarHBondContact O-N 2.95Å
474	I	97.4	Very high	91.9	Very high	6 Å²	6	15.9 Å²	15.9	3%	0.031	8%	0.08	C	C	.	.	H	α-helix	trans	-62.4	-49.5	173.3	-63.9	178.2	0	0	0	110	P338 D471 H472 V476 I477 C478 C513 R522 R523 I526	P338-I474 HydrophobicContact CB-CG1 3.85Å; P338-I474 HydrophobicContact CG-CG1 3.87Å; D471-I474 WeakPolarHBondContact O-CB 3.34Å; D471-I474 PolarHBondContact O-N 3.11Å; H472-I474 VanDerWaalsContact C-N 3.28Å; H472-I474 PolarHBondContact O-N 3.08Å; I474-V476 PolarHBondContact O-N 3.24Å; I474-I477 PolarHBondContact O-N 2.9Å; I474-C478 PolarHBondContact O-N 2.99Å; I474-C478 PolarHBondContact O-SG 3.38Å; I474-C478 VanDerWaalsContact O-SG 3.35Å; I474-C513 VanDerWaalsContact CG2-SG 3.56Å; I474-R522 HydrophobicContact CB-CB 4.49Å; I474-R522 HydrophobicContact CG2-CB 3.6Å; I474-R523 HydrophobicContact CD1-CB 4.34Å; I474-R523 HydrophobicContact CD1-CG 3.51Å; I474-I526 HydrophobicContact CB-CD1 3.94Å; I474-I526 HydrophobicContact CD1-CD1 4.45Å; I474-I526 HydrophobicContact CG1-CD1 3.9Å; I474-I526 HydrophobicContact CG2-CD1 3.33Å; I474-I526 HydrophobicContact CG2-CG1 3.73Å
475	W	96.8	Very high	90.9	Very high	0 Å²	0	16.4 Å²	16.4	0%	0	8%	0.083	C	C	.	.	H	α-helix	trans	-61.9	-43.2	179.4	175.3	73.8	0	0	0	112.3	F374 V421 A425 V429 L456 D471 H472 C478 T479	F374-W475 HydrophobicContact CE1-CE3 4.34Å; F374-W475 HydrophobicContact CE1-CH2 4.17Å; F374-W475 AromaticContact CE1-CZ3 3.87Å; F374-W475 HydrophobicContact CE1-CZ3 3.87Å; F374-W475 HydrophobicContact CZ-CE3 4.43Å; F374-W475 HydrophobicContact CZ-CH2 4.02Å; F374-W475 AromaticContact CZ-CZ3 3.64Å; F374-W475 HydrophobicContact CZ-CZ3 3.64Å; V421-W475 HydrophobicContact CB-CB 4.32Å; V421-W475 HydrophobicContact CB-CD2 4.25Å; V421-W475 HydrophobicContact CB-CG 4.13Å; V421-W475 HydrophobicContact CG1-CD2 3.61Å; V421-W475 HydrophobicContact CG1-CE3 3.85Å; V421-W475 HydrophobicContact CG1-CG 3.94Å; V421-W475 HydrophobicContact CG1-CH2 4.37Å; V421-W475 HydrophobicContact CG1-CZ2 4.21Å; V421-W475 HydrophobicContact CG1-CZ3 4.2Å; V421-W475 HydrophobicContact CG2-CB 4.27Å; V421-W475 HydrophobicContact CG2-CD2 4.43Å; V421-W475 HydrophobicContact CG2-CE3 4.3Å; V421-W475 HydrophobicContact CG2-CG 4.43Å; A425-W475 HydrophobicContact CB-CH2 3.73Å; A425-W475 HydrophobicContact CB-CZ2 3.78Å; V429-W475 HydrophobicContact CG2-CH2 3.5Å; V429-W475 VanDerWaalsContact CG2-CH2 3.5Å; V429-W475 HydrophobicContact CG2-CZ2 4.15Å; V429-W475 HydrophobicContact CG2-CZ3 4.35Å; L456-W475 HydrophobicContact CD2-CZ3 4.1Å; D471-W475 PolarHBondContact O-N 2.89Å; H472-W475 PolarHBondContact O-N 3.5Å; W475-C478 PolarHBondContact O-N 3.47Å; W475-T479 PolarHBondContact NE1-OG1 2.91Å; W475-T479 WeakPolarHBondContact O-CB 3.26Å; W475-T479 PolarHBondContact O-N 2.63Å; W475-T479 PolarHBondContact O-OG1 3.4Å
476	V	95.5	Very high	89.3	Confident	0 Å²	0	20.9 Å²	20.9	0%	0	11%	0.107	C	C	.	.	H	α-helix	trans	-58.1	-50.2	175.1	171.7	0	0	0	0	110.8	L371 D373 F374 H472 I474 C478 T479 S480	L371-V476 HydrophobicContact CB-CB 4.49Å; L371-V476 HydrophobicContact CB-CG1 3.93Å; L371-V476 HydrophobicContact CD1-CG1 4.29Å; D373-V476 WeakPolarHBondContact O-CG1 3.14Å; F374-V476 HydrophobicContact CD1-CG1 4.15Å; F374-V476 HydrophobicContact CE1-CB 4.18Å; F374-V476 HydrophobicContact CE1-CG1 4.09Å; F374-V476 HydrophobicContact CE1-CG2 3.8Å; F374-V476 HydrophobicContact CZ-CG2 3.91Å; H472-V476 VanDerWaalsContact NE2-CG2 3.34Å; H472-V476 WeakPolarHBondContact NE2-CG2 3.38Å; H472-V476 WeakPolarHBondContact O-CG2 3.45Å; H472-V476 PolarHBondContact O-N 3.34Å; I474-V476 PolarHBondContact O-N 3.24Å; V476-C478 PolarHBondContact O-N 2.93Å; V476-T479 PolarHBondContact O-N 3.29Å; V476-T479 VanDerWaalsContact O-N 3.17Å; V476-S480 WeakPolarHBondContact O-CB 3.49Å; V476-S480 PolarHBondContact O-N 3.39Å; V476-S480 PolarHBondContact O-OG 3.06Å
477	I	95.5	Very high	87.6	Confident	0 Å²	0	19.7 Å²	19.7	0%	0	10%	0.098	C	C	.	.	H	α-helix	trans	-59.8	-50.1	-179.3	-72.3	176.2	0	0	0	111.6	I334 L335 L337 P338 F380 N473 I474 T479 S480 L481	I334-I477 HydrophobicContact CG2-CG2 3.49Å; I334-I477 VanDerWaalsContact CG2-CG2 3.49Å; I334-I477 WeakPolarHBondContact O-CD1 3.33Å; L335-I477 HydrophobicContact CD2-CG2 4.19Å; L337-I477 HydrophobicContact CB-CD1 3.9Å; P338-I477 VanDerWaalsContact CD-CD1 3.44Å; P338-I477 HydrophobicContact CG-CD1 3.51Å; F380-I477 HydrophobicContact CZ-CG1 4.29Å; N473-I477 VanDerWaalsContact O-CG1 3.29Å; N473-I477 WeakPolarHBondContact O-CG1 2.97Å; N473-I477 PolarHBondContact O-N 2.95Å; I474-I477 PolarHBondContact O-N 2.9Å; I477-T479 PolarHBondContact O-N 2.64Å; I477-S480 PolarHBondContact O-N 2.89Å; I477-L481 HydrophobicContact CG2-CD1 3.94Å; I477-L481 WeakPolarHBondContact O-CB 3.33Å; I477-L481 WeakPolarHBondContact O-CG 3.23Å; I477-L481 PolarHBondContact O-N 3.41Å
478	C	96	Very high	85.8	Confident	1 Å²	1	24.3 Å²	24.3	1%	0.007	12%	0.12	C	C	.	.	H	α-helix	trans	-61.2	-36.8	178.7	-66.1	0	0	0	0	111.5	I474 W475 V476 L482 I510 C513 V514	I474-C478 PolarHBondContact O-N 2.99Å; I474-C478 PolarHBondContact O-SG 3.38Å; I474-C478 VanDerWaalsContact O-SG 3.35Å; W475-C478 PolarHBondContact O-N 3.47Å; V476-C478 PolarHBondContact O-N 2.93Å; C478-L482 WeakPolarHBondContact O-CG 3.39Å; C478-L482 PolarHBondContact O-N 2.83Å; C478-I510 HydrophobicContact CB-CG2 4.47Å; C478-C513 HydrophobicContact CB-CB 3.7Å; C478-C513 WeakPolarHBondContact CB-SG 3.23Å; C478-C513 WeakPolarHBondContact SG-CB 3.21Å; C478-C513 CovalentContact SG-SG 2.04Å; C478-C513 PolarHBondContact SG-SG 3.31Å; C478-V514 HydrophobicContact CB-CG2 3.6Å; C478-V514 WeakPolarHBondContact O-CG2 3.32Å
479	T	94.3	Very high	84.2	Confident	0 Å²	0	28.5 Å²	28.5	0%	0	14%	0.144	C	C	.	.	H	α-helix	trans	-70.7	-44.9	178.8	-59.2	0	0	0	0	111.6	F374 L426 V429 W475 V476 I477 L482 Y483	F374-T479 HydrophobicContact CD1-CG2 3.87Å; F374-T479 HydrophobicContact CE1-CG2 4.05Å; L426-T479 HydrophobicContact CD1-CG2 3.99Å; V429-T479 HydrophobicContact CG1-CG2 3.84Å; W475-T479 PolarHBondContact NE1-OG1 2.91Å; W475-T479 WeakPolarHBondContact O-CB 3.26Å; W475-T479 PolarHBondContact O-N 2.63Å; W475-T479 PolarHBondContact O-OG1 3.4Å; V476-T479 PolarHBondContact O-N 3.29Å; V476-T479 VanDerWaalsContact O-N 3.17Å; I477-T479 PolarHBondContact O-N 2.64Å; T479-L482 PolarHBondContact O-N 3.44Å; T479-Y483 HydrophobicContact CG2-CD2 4.19Å; T479-Y483 PolarHBondContact O-N 2.87Å
480	S	91.8	Very high	82	Confident	0 Å²	0	28.8 Å²	28.8	0%	0	14%	0.144	C	C	.	.	H	α-helix	trans	-61.3	-42.5	175.5	-71.1	0	0	0	0	112.4	F374 V476 I477 L482 G484	F374-S480 VanDerWaalsContact CA-OG 3.3Å; F374-S480 WeakPolarHBondContact CA-OG 3.31Å; F374-S480 WeakPolarHBondContact O-CB 3.22Å; F374-S480 PolarHBondContact O-OG 2.84Å; V476-S480 WeakPolarHBondContact O-CB 3.49Å; V476-S480 PolarHBondContact O-N 3.39Å; V476-S480 PolarHBondContact O-OG 3.06Å; I477-S480 PolarHBondContact O-N 2.89Å; S480-L482 VanDerWaalsContact C-N 3.32Å; S480-L482 PolarHBondContact O-N 2.67Å; S480-G484 VanDerWaalsContact O-CA 3.24Å; S480-G484 WeakPolarHBondContact O-CA 3.48Å; S480-G484 PolarHBondContact O-N 2.97Å
481	L	92.8	Very high	79.7	Confident	4 Å²	4	35.7 Å²	35.7	2%	0.021	18%	0.181	C	C	.	.	H	α-helix	trans	-64	-35.1	177.6	-73.8	171.1	0	0	0	113	L331 I334 L335 L376 I477 F498 L499 I510	L331-L481 HydrophobicContact CD2-CD1 3.96Å; L331-L481 HydrophobicContact CD2-CD2 3.81Å; I334-L481 HydrophobicContact CD1-CD2 4.09Å; I334-L481 HydrophobicContact CG2-CD1 4.15Å; I334-L481 HydrophobicContact CG2-CD2 4.46Å; I334-L481 HydrophobicContact CG2-CG 4.5Å; L335-L481 HydrophobicContact CD2-CD1 4.43Å; L376-L481 HydrophobicContact CD1-CD2 4.21Å; I477-L481 HydrophobicContact CG2-CD1 3.94Å; I477-L481 WeakPolarHBondContact O-CB 3.33Å; I477-L481 WeakPolarHBondContact O-CG 3.23Å; I477-L481 PolarHBondContact O-N 3.41Å; L481-F498 HydrophobicContact CD2-CD1 4.11Å; L481-L499 HydrophobicContact CB-CD1 4.25Å; L481-L499 WeakPolarHBondContact O-CD1 3.24Å; L481-I510 HydrophobicContact CB-CG2 4.48Å
482	L	91.3	Very high	77.3	Confident	31 Å²	31	42.7 Å²	42.7	16%	0.162	22%	0.218	C	C	.	.	H	α-helix	trans	-84.7	-35.3	-179.8	-70.8	176.9	0	0	0	113.8	C478 T479 S480 L499 Y507 I510 K511 V514	C478-L482 WeakPolarHBondContact O-CG 3.39Å; C478-L482 PolarHBondContact O-N 2.83Å; T479-L482 PolarHBondContact O-N 3.44Å; S480-L482 VanDerWaalsContact C-N 3.32Å; S480-L482 PolarHBondContact O-N 2.67Å; L482-L499 HydrophobicContact CD2-CD1 3.69Å; L482-L499 HydrophobicContact CG-CD1 4.46Å; L482-Y507 HydrophobicContact CD2-CE2 3.9Å; L482-I510 HydrophobicContact CD1-CG2 4.23Å; L482-I510 HydrophobicContact CD2-CG2 3.99Å; L482-I510 HydrophobicContact CG-CG2 3.83Å; L482-K511 HydrophobicContact CD1-CB 4.47Å; L482-V514 HydrophobicContact CD1-CB 4.09Å; L482-V514 HydrophobicContact CD1-CG2 3.49Å; L482-V514 VanDerWaalsContact CD1-CG2 3.49Å; L482-V514 HydrophobicContact CG-CG2 4.45Å
483	Y	88.9	Confident	75	Confident	63 Å²	63	50.8 Å²	50.8	25%	0.247	26%	0.261	C	S	.	.	H	α-helix	trans	-128.4	-10.3	-166	-58	-66.4	0	0	0	114.7	L426 L430 T479 D485 V514 H515	L426-Y483 HydrophobicContact CD1-CD2 4.32Å; L426-Y483 HydrophobicContact CD1-CE2 4.15Å; L430-Y483 HydrophobicContact CD2-CD1 3.78Å; L430-Y483 HydrophobicContact CD2-CD2 3.92Å; L430-Y483 HydrophobicContact CD2-CE1 4.12Å; L430-Y483 HydrophobicContact CD2-CE2 4.25Å; L430-Y483 HydrophobicContact CD2-CG 3.67Å; T479-Y483 HydrophobicContact CG2-CD2 4.19Å; T479-Y483 PolarHBondContact O-N 2.87Å; Y483-D485 VanDerWaalsContact C-N 3.28Å; Y483-D485 PolarHBondContact O-N 2.63Å; Y483-V514 HydrophobicContact CE2-CG1 4.21Å; Y483-H515 PolarHBondContact OH-NE2 2Å
484	G	80.5	Confident	73	Confident	1 Å²	1	52.3 Å²	52.3	1%	0.01	28%	0.277	C	S	.	.	T	Hydrogen-bonded Turn	trans	-76.3	-2.2	-169.5	0	0	0	0	0	116	F374 L376 S480	F374-G484 WeakPolarHBondContact O-CA 3.28Å; L376-G484 PolarHBondContact N-O 3.23Å; S480-G484 VanDerWaalsContact O-CA 3.24Å; S480-G484 WeakPolarHBondContact O-CA 3.48Å; S480-G484 PolarHBondContact O-N 2.97Å
485	D	71	Confident	71.4	Confident	12 Å²	12	52.6 Å²	52.6	6%	0.064	28%	0.28	C	S	.	.	T	Hydrogen-bonded Turn	trans	-90.6	-0.4	-175.4	-151.9	10.4	0	0	0	113.8	N377 Y483 S487 C495 N496 N497	N377-D485 PolarHBondContact ND2-OD1 2.7Å; Y483-D485 VanDerWaalsContact C-N 3.28Å; Y483-D485 PolarHBondContact O-N 2.63Å; D485-S487 PolarHBondContact O-N 3.31Å; D485-C495 VanDerWaalsContact CG-O 3.28Å; D485-C495 PolarHBondContact OD2-SG 3.07Å; D485-N496 WeakPolarHBondContact OD2-CA 3.42Å; D485-N496 PolarHBondContact OD2-N 3.15Å; D485-N497 PolarHBondContact OD2-N 2.88Å
486	N	55.5	Low	69.9	Low	98 Å²	98	58.7 Å²	58.7	52%	0.524	31%	0.312	S	S	.	.			trans	-73.6	15.8	-176	-77.9	-30.1	0	0	0	114.3	H436	H436-N486 PolarHBondContact CE1-O 2.66Å; H436-N486 PolarHBondContact ND1-O 3.24Å
487	S	51.1	Low	69.2	Low	27 Å²	27	61.9 Å²	61.9	19%	0.189	33%	0.329	C	S	.	.			trans	-73.5	139.1	-177.9	-171.6	0	0	0	0	112.7	D375 D485 D489	D375-S487 WeakPolarHBondContact OD1-CB 3.24Å; D485-S487 PolarHBondContact O-N 3.31Å; S487-D489 PolarHBondContact O-N 2.98Å
488	K	49	Very low	68.9	Low	165 Å²	165	61.9 Å²	61.9	72%	0.717	33%	0.33	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.3	2.3	-170.2	-108.1	170.8	-169	177.6	0	117.5	H436 N490	H436-K488 VanDerWaalsContact CD2-CD 3.49Å; H436-K488 WeakPolarHBondContact CD2-CD 3.36Å; H436-K488 WeakPolarHBondContact NE2-CD 3.25Å; H436-K488 VanDerWaalsContact NE2-CE 3.33Å; H436-K488 WeakPolarHBondContact NE2-CE 3.49Å; H436-K488 VanDerWaalsContact NE2-CG 3.33Å; H436-K488 WeakPolarHBondContact NE2-CG 3.3Å; K488-N490 VanDerWaalsContact C-N 3.31Å; K488-N490 PolarHBondContact O-N 3.24Å
489	D	49.3	Very low	68.7	Low	146 Å²	146	62.1 Å²	62.1	78%	0.781	33%	0.33	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.2	3.3	-178.8	-79.5	-19.8	0	0	0	114.1	S487 N491	S487-D489 PolarHBondContact O-N 2.98Å; D489-N491 PolarHBondContact O-N 2.95Å
490	N	43.7	Very low	68.4	Low	50 Å²	50	68.6 Å²	68.6	27%	0.267	36%	0.356	S	S	.	.			trans	-74.9	24.7	-177.4	-75.6	-4.8	0	0	0	115.9	K488 N492 C495 N496	K488-N490 VanDerWaalsContact C-N 3.31Å; K488-N490 PolarHBondContact O-N 3.24Å; N490-N492 VanDerWaalsContact C-N 3.28Å; N490-N492 PolarHBondContact O-N 3.48Å; N490-C495 PolarHBondContact ND2-O 3.49Å; N490-C495 VanDerWaalsContact ND2-O 3.13Å; N490-N496 PolarHBondContact ND2-OD1 3.25Å; N490-N496 VanDerWaalsContact ND2-OD1 3.09Å
491	N	43.9	Very low	68.2	Low	144 Å²	144	75 Å²	75	77%	0.77	39%	0.386	S	S	*	.	S	Bend	trans	-77.4	0.2	-179.7	-99.1	-7.4	0	0	0	115.5	D489	D489-N491 PolarHBondContact O-N 2.95Å
492	N	44.4	Very low	68.3	Low	148 Å²	148	75.5 Å²	75.5	79%	0.791	39%	0.388	S	S	*	.	S	Bend	trans	-160.5	109.5	167.5	-82.2	-47.7	0	0	0	110.7	N490 G494	N490-N492 VanDerWaalsContact C-N 3.28Å; N490-N492 PolarHBondContact O-N 3.48Å; N492-G494 VanDerWaalsContact C-N 3.31Å; N492-G494 PolarHBondContact O-N 3.21Å; N492-G494 VanDerWaalsContact O-N 3.09Å
493	N	49.7	Very low	68.5	Low	170 Å²	170	75.6 Å²	75.6	91%	0.909	39%	0.391	S	S	*	.	S	Bend	trans	62.6	9.9	164.3	-62.6	-16.8	0	0	0	119.5
494	G	54.1	Low	68.8	Low	32 Å²	32	78.2 Å²	78.2	33%	0.33	41%	0.409	S	S	.	.			trans	-86	145.9	-179.8	0	0	0	0	0	112.8	N492	N492-G494 VanDerWaalsContact C-N 3.31Å; N492-G494 PolarHBondContact O-N 3.21Å; N492-G494 VanDerWaalsContact O-N 3.09Å
495	C	63.9	Low	69.5	Low	13 Å²	13	84 Å²	84	9%	0.088	44%	0.436	C	S	.	.			trans	-37.4	133	176	-168.7	0	0	0	0	115	C320 D485 N490 F498	C320-C495 HydrophobicContact CB-CB 3.44Å; C320-C495 VanDerWaalsContact CB-CB 3.44Å; C320-C495 WeakPolarHBondContact CB-SG 3.19Å; C320-C495 WeakPolarHBondContact SG-CB 3.37Å; C320-C495 CovalentContact SG-SG 1.98Å; C320-C495 PolarHBondContact SG-SG 3.46Å; D485-C495 VanDerWaalsContact CG-O 3.28Å; D485-C495 PolarHBondContact OD2-SG 3.07Å; N490-C495 PolarHBondContact ND2-O 3.49Å; N490-C495 VanDerWaalsContact ND2-O 3.13Å; C495-F498 PolarHBondContact SG-N 3.01Å
496	N	66.1	Low	70.8	Confident	127 Å²	127	83.4 Å²	83.4	68%	0.679	43%	0.433	S	S	*	.	S	Bend	trans	-107	-15.1	169.4	-72.2	-25.9	0	0	0	113	D485 N490	D485-N496 WeakPolarHBondContact OD2-CA 3.42Å; D485-N496 PolarHBondContact OD2-N 3.15Å; N490-N496 PolarHBondContact ND2-OD1 3.25Å; N490-N496 VanDerWaalsContact ND2-OD1 3.09Å
497	N	80.5	Confident	72.7	Confident	67 Å²	67	83 Å²	83	36%	0.358	42%	0.424	S	S	.	.			trans	-165.8	99.8	-177.5	-175.7	0.1	0	0	0	110.7	D485 L499 Y500	D485-N497 PolarHBondContact OD2-N 2.88Å; N497-L499 PolarHBondContact O-N 2.66Å; N497-L499 WeakPolarHBondContact OD1-CA 3.42Å; N497-L499 WeakPolarHBondContact OD1-CB 3.48Å; N497-L499 PolarHBondContact OD1-N 2.86Å; N497-Y500 VanDerWaalsContact O-CB 3.22Å; N497-Y500 WeakPolarHBondContact O-CB 3.38Å; N497-Y500 PolarHBondContact O-N 3.48Å; N497-Y500 VanDerWaalsContact O-N 3.07Å; N497-Y500 PolarHBondContact OD1-N 3.01Å
498	F	88.8	Confident	74.9	Confident	1 Å²	1	84.3 Å²	84.3	0%	0.004	43%	0.432	C	S	.	.	T	Hydrogen-bonded Turn	trans	-59.1	-28.3	175.1	-178.8	-112.9	0	0	0	113	L316 F319 R327 I330 L331 I334 L376 L481 C495 Y500	L316-F498 HydrophobicContact CD1-CD2 4.19Å; L316-F498 HydrophobicContact CD1-CE1 4.13Å; L316-F498 HydrophobicContact CD1-CE2 3.72Å; L316-F498 HydrophobicContact CD1-CZ 3.7Å; L316-F498 HydrophobicContact CD2-CD1 4.02Å; L316-F498 HydrophobicContact CD2-CD2 4.43Å; L316-F498 HydrophobicContact CD2-CE1 4.19Å; L316-F498 HydrophobicContact CD2-CG 4.14Å; L316-F498 HydrophobicContact CG-CD2 4.08Å; L316-F498 HydrophobicContact CG-CE2 4.13Å; L316-F498 HydrophobicContact CG-CG 4.29Å; L316-F498 HydrophobicContact CG-CZ 4.36Å; F319-F498 HydrophobicContact CB-CE2 4.16Å; R327-F498 HydrophobicContact CB-CE2 4.26Å; R327-F498 HydrophobicContact CB-CZ 4.11Å; R327-F498 HydrophobicContact CG-CE2 3.98Å; R327-F498 HydrophobicContact CG-CZ 4.33Å; R327-F498 PolarHBondContact NH1-O 3.19Å; I330-F498 HydrophobicContact CB-CZ 4.18Å; I330-F498 HydrophobicContact CG2-CZ 3.93Å; L331-F498 HydrophobicContact CD1-CE1 4.45Å; L331-F498 HydrophobicContact CD2-CD1 4.08Å; L331-F498 HydrophobicContact CD2-CE1 3.61Å; L331-F498 HydrophobicContact CG-CD1 4.48Å; L331-F498 HydrophobicContact CG-CE1 3.67Å; L331-F498 HydrophobicContact CG-CZ 4.43Å; I334-F498 HydrophobicContact CD1-CE1 4.49Å; L376-F498 HydrophobicContact CD2-CB 4.11Å; L481-F498 HydrophobicContact CD2-CD1 4.11Å; C495-F498 PolarHBondContact SG-N 3.01Å; F498-Y500 VanDerWaalsContact C-N 3.27Å; F498-Y500 PolarHBondContact O-N 3.31Å
499	L	91.6	Very high	77.3	Confident	5 Å²	5	77.6 Å²	77.6	3%	0.026	40%	0.403	C	S	.	.	T	Hydrogen-bonded Turn	trans	-84.1	7.1	178.8	-57	177.2	0	0	0	113.9	L331 L481 L482 N497 Q501 I502 Y507 I510	L331-L499 HydrophobicContact CD1-CD2 4.06Å; L331-L499 HydrophobicContact CD2-CD2 3.81Å; L481-L499 HydrophobicContact CB-CD1 4.25Å; L481-L499 WeakPolarHBondContact O-CD1 3.24Å; L482-L499 HydrophobicContact CD2-CD1 3.69Å; L482-L499 HydrophobicContact CG-CD1 4.46Å; N497-L499 PolarHBondContact O-N 2.66Å; N497-L499 WeakPolarHBondContact OD1-CA 3.42Å; N497-L499 WeakPolarHBondContact OD1-CB 3.48Å; N497-L499 PolarHBondContact OD1-N 2.86Å; L499-Q501 PolarHBondContact O-N 3.34Å; L499-I502 HydrophobicContact CB-CG1 4.25Å; L499-I502 HydrophobicContact CD2-CG1 4.22Å; L499-I502 WeakPolarHBondContact O-CB 3.25Å; L499-I502 WeakPolarHBondContact O-CG1 2.93Å; L499-I502 PolarHBondContact O-N 2.74Å; L499-Y507 HydrophobicContact CB-CD2 4.36Å; L499-Y507 HydrophobicContact CD1-CD2 4.31Å; L499-Y507 HydrophobicContact CD1-CE2 4.44Å; L499-I510 HydrophobicContact CD1-CD1 4.26Å; L499-I510 HydrophobicContact CD1-CG2 4.3Å; L499-I510 HydrophobicContact CD2-CD1 3.89Å
500	Y	88.4	Confident	79.5	Confident	136 Å²	136	70.8 Å²	70.8	53%	0.533	37%	0.367	S	S	.	.	T	Hydrogen-bonded Turn	trans	-56.9	129.9	177.3	-179.8	-110.1	0	0	0	111.7	R327 N497 F498 I502	R327-Y500 VanDerWaalsContact CZ-O 3.29Å; R327-Y500 PolarHBondContact NH1-O 2.89Å; R327-Y500 PolarHBondContact NH2-O 3.4Å; N497-Y500 VanDerWaalsContact O-CB 3.22Å; N497-Y500 WeakPolarHBondContact O-CB 3.38Å; N497-Y500 PolarHBondContact O-N 3.48Å; N497-Y500 VanDerWaalsContact O-N 3.07Å; N497-Y500 PolarHBondContact OD1-N 3.01Å; F498-Y500 VanDerWaalsContact C-N 3.27Å; F498-Y500 PolarHBondContact O-N 3.31Å; Y500-I502 PolarHBondContact O-N 3.48Å; Y500-I502 VanDerWaalsContact O-N 3.16Å
501	Q	88.9	Confident	82	Confident	135 Å²	135	73.4 Å²	73.4	63%	0.631	38%	0.376	S	S	*	.	T	Hydrogen-bonded Turn	trans	59.4	18.6	-177.8	-60.3	173.1	-15.6	0	0	115.7	L499	L499-Q501 PolarHBondContact O-N 3.34Å
502	I	93.5	Very high	84.6	Confident	14 Å²	14	70.9 Å²	70.9	7%	0.072	36%	0.356	C	S	.	.			trans	-67.9	144.5	166.5	-71	-64.1	0	0	0	109.4	L324 L328 L331 L499 Y500 N504 L506	L324-I502 HydrophobicContact CD1-CD1 3.72Å; L328-I502 HydrophobicContact CD2-CD1 3.99Å; L331-I502 HydrophobicContact CD1-CD1 3.59Å; L331-I502 HydrophobicContact CD1-CG1 4.16Å; L499-I502 HydrophobicContact CB-CG1 4.25Å; L499-I502 HydrophobicContact CD2-CG1 4.22Å; L499-I502 WeakPolarHBondContact O-CB 3.25Å; L499-I502 WeakPolarHBondContact O-CG1 2.93Å; L499-I502 PolarHBondContact O-N 2.74Å; Y500-I502 PolarHBondContact O-N 3.48Å; Y500-I502 VanDerWaalsContact O-N 3.16Å; I502-N504 PolarHBondContact O-N 2.75Å; I502-L506 HydrophobicContact CG2-CB 3.82Å; I502-L506 HydrophobicContact CG2-CD2 3.69Å; I502-L506 HydrophobicContact CG2-CG 3.79Å
503	P	95.7	Very high	87.1	Confident	33 Å²	33	64 Å²	64	21%	0.214	32%	0.319	C	S	.	.			trans	-49.4	134.5	175.4	-31.3	36.4	0	0	0	112.9	E505 L506 Y507 F532	P503-E505 PolarHBondContact O-N 3.07Å; P503-E505 VanDerWaalsContact O-N 3.15Å; P503-L506 WeakPolarHBondContact O-CB 3.09Å; P503-L506 PolarHBondContact O-N 3Å; P503-Y507 PolarHBondContact O-N 3.03Å; P503-F532 HydrophobicContact CB-CE1 3.63Å; P503-F532 HydrophobicContact CB-CZ 3.66Å; P503-F532 HydrophobicContact CG-CE1 3.95Å; P503-F532 HydrophobicContact CG-CZ 4.25Å
504	N	95.3	Very high	89.3	Confident	118 Å²	118	55.9 Å²	55.9	63%	0.631	28%	0.276	S	S	*	.	H	α-helix	trans	-58.8	-32.6	-172.6	-176.8	58.6	0	0	0	113	I502 Y507 T508	I502-N504 PolarHBondContact O-N 2.75Å; N504-Y507 PolarHBondContact O-N 2.73Å; N504-T508 VanDerWaalsContact O-CB 3.29Å; N504-T508 WeakPolarHBondContact O-CB 3.37Å; N504-T508 PolarHBondContact O-N 2.66Å; N504-T508 PolarHBondContact O-OG1 3.04Å
505	E	96.1	Very high	91.4	Very high	123 Å²	123	58.3 Å²	58.3	58%	0.575	28%	0.278	S	S	*	.	H	α-helix	trans	-62.2	-47.2	175.2	-69.2	151.2	161.3	0	0	111.2	P503 T508 L509 F532	P503-E505 PolarHBondContact O-N 3.07Å; P503-E505 VanDerWaalsContact O-N 3.15Å; E505-T508 PolarHBondContact O-N 2.95Å; E505-L509 WeakPolarHBondContact O-CG 3.45Å; E505-L509 PolarHBondContact O-N 3.1Å; E505-F532 HydrophobicContact CB-CD2 4.39Å; E505-F532 HydrophobicContact CB-CE2 3.89Å; E505-F532 HydrophobicContact CB-CZ 4.12Å; E505-F532 WeakPolarHBondContact OE2-CE2 3.21Å; E505-F532 WeakPolarHBondContact OE2-CZ 3.43Å
506	L	96.8	Very high	92.9	Very high	0 Å²	0	60.7 Å²	60.7	0%	0	29%	0.288	C	S	.	.	H	α-helix	trans	-65.3	-44.4	176.2	-178.8	55.5	0	0	0	111.9	L328 L331 I502 P503 T508 L509 I510 A529 F532 I533	L328-L506 HydrophobicContact CD2-CD2 3.66Å; L331-L506 HydrophobicContact CD1-CD2 4.24Å; I502-L506 HydrophobicContact CG2-CB 3.82Å; I502-L506 HydrophobicContact CG2-CD2 3.69Å; I502-L506 HydrophobicContact CG2-CG 3.79Å; P503-L506 WeakPolarHBondContact O-CB 3.09Å; P503-L506 PolarHBondContact O-N 3Å; L506-T508 VanDerWaalsContact C-N 3.27Å; L506-T508 PolarHBondContact O-N 3.27Å; L506-L509 PolarHBondContact O-N 3.47Å; L506-I510 HydrophobicContact CD1-CD1 4.32Å; L506-I510 HydrophobicContact CD1-CG1 4.43Å; L506-I510 HydrophobicContact CG-CD1 4.25Å; L506-I510 WeakPolarHBondContact O-CG1 3.44Å; L506-I510 PolarHBondContact O-N 3.3Å; L506-A529 HydrophobicContact CD1-CB 3.61Å; L506-F532 HydrophobicContact CB-CD1 3.77Å; L506-F532 HydrophobicContact CB-CE1 3.84Å; L506-F532 HydrophobicContact CD2-CD1 4.34Å; L506-F532 HydrophobicContact CG-CD1 4.44Å; L506-I533 HydrophobicContact CD1-CD1 4.13Å; L506-I533 HydrophobicContact CD1-CG1 4.1Å; L506-I533 HydrophobicContact CD2-CD1 3.92Å; L506-I533 HydrophobicContact CD2-CG1 3.5Å; L506-I533 HydrophobicContact CG-CG1 4.49Å
507	Y	96.4	Very high	94.2	Very high	88 Å²	88	57.4 Å²	57.4	35%	0.345	28%	0.275	S	S	.	.	H	α-helix	trans	-58.2	-41.5	174.9	-178.6	-96	0	0	0	111.7	L482 L499 P503 N504 I510 K511	L482-Y507 HydrophobicContact CD2-CE2 3.9Å; L499-Y507 HydrophobicContact CB-CD2 4.36Å; L499-Y507 HydrophobicContact CD1-CD2 4.31Å; L499-Y507 HydrophobicContact CD1-CE2 4.44Å; P503-Y507 PolarHBondContact O-N 3.03Å; N504-Y507 PolarHBondContact O-N 2.73Å; Y507-I510 PolarHBondContact O-N 3.09Å; Y507-K511 HydrophobicContact CE1-CD 4.39Å; Y507-K511 WeakPolarHBondContact O-CB 3.1Å; Y507-K511 PolarHBondContact O-N 3.19Å
508	T	97.4	Very high	94.8	Very high	56 Å²	56	55.3 Å²	55.3	34%	0.344	27%	0.269	S	S	.	.	H	α-helix	trans	-64.1	-41.3	177	-61	0	0	0	0	111.6	N504 E505 L506 K511 R512	N504-T508 VanDerWaalsContact O-CB 3.29Å; N504-T508 WeakPolarHBondContact O-CB 3.37Å; N504-T508 PolarHBondContact O-N 2.66Å; N504-T508 PolarHBondContact O-OG1 3.04Å; E505-T508 PolarHBondContact O-N 2.95Å; L506-T508 VanDerWaalsContact C-N 3.27Å; L506-T508 PolarHBondContact O-N 3.27Å; T508-K511 PolarHBondContact O-N 3.39Å; T508-R512 HydrophobicContact CG2-CG 4.34Å; T508-R512 WeakPolarHBondContact O-CB 3.37Å; T508-R512 WeakPolarHBondContact O-CG 3.24Å; T508-R512 PolarHBondContact O-N 3.23Å
509	L	98	Very high	94.9	Very high	23 Å²	23	60.1 Å²	60.1	12%	0.12	29%	0.294	C	S	.	.	H	α-helix	trans	-62.5	-44.5	175.9	-69.8	168.9	0	0	0	112.1	E505 L506 R512 C513 L525 K528 A529	E505-L509 WeakPolarHBondContact O-CG 3.45Å; E505-L509 PolarHBondContact O-N 3.1Å; L506-L509 PolarHBondContact O-N 3.47Å; L509-R512 PolarHBondContact O-N 3.44Å; L509-C513 WeakPolarHBondContact O-CB 3.25Å; L509-C513 PolarHBondContact O-N 3.36Å; L509-L525 HydrophobicContact CD2-CD2 4Å; L509-K528 HydrophobicContact CD1-CB 4.04Å; L509-K528 HydrophobicContact CD2-CB 3.98Å; L509-K528 HydrophobicContact CD2-CD 4.41Å; L509-A529 HydrophobicContact CB-CB 4.24Å; L509-A529 HydrophobicContact CD1-CB 4.21Å
510	I	96.8	Very high	94.9	Very high	3 Å²	3	60.8 Å²	60.8	2%	0.015	30%	0.302	C	S	.	.	H	α-helix	trans	-64.7	-42.9	176.7	-62.8	170.5	0	0	0	110.6	C478 L481 L482 L499 L506 Y507 R512 C513 V514	C478-I510 HydrophobicContact CB-CG2 4.47Å; L481-I510 HydrophobicContact CB-CG2 4.48Å; L482-I510 HydrophobicContact CD1-CG2 4.23Å; L482-I510 HydrophobicContact CD2-CG2 3.99Å; L482-I510 HydrophobicContact CG-CG2 3.83Å; L499-I510 HydrophobicContact CD1-CD1 4.26Å; L499-I510 HydrophobicContact CD1-CG2 4.3Å; L499-I510 HydrophobicContact CD2-CD1 3.89Å; L506-I510 HydrophobicContact CD1-CD1 4.32Å; L506-I510 HydrophobicContact CD1-CG1 4.43Å; L506-I510 HydrophobicContact CG-CD1 4.25Å; L506-I510 WeakPolarHBondContact O-CG1 3.44Å; L506-I510 PolarHBondContact O-N 3.3Å; Y507-I510 PolarHBondContact O-N 3.09Å; I510-R512 PolarHBondContact O-N 3.06Å; I510-C513 VanDerWaalsContact O-CB 3.31Å; I510-C513 WeakPolarHBondContact O-CB 3.46Å; I510-C513 PolarHBondContact O-N 3.09Å; I510-V514 PolarHBondContact O-N 2.95Å
511	K	96.7	Very high	95.3	Very high	106 Å²	106	56.3 Å²	56.3	46%	0.461	29%	0.288	S	S	.	.	H	α-helix	trans	-59.3	-47.1	175.7	-172.9	178.3	179.8	-177	0	111.7	L482 Y507 T508 C513 V514 H515	L482-K511 HydrophobicContact CD1-CB 4.47Å; Y507-K511 HydrophobicContact CE1-CD 4.39Å; Y507-K511 WeakPolarHBondContact O-CB 3.1Å; Y507-K511 PolarHBondContact O-N 3.19Å; T508-K511 PolarHBondContact O-N 3.39Å; K511-C513 VanDerWaalsContact C-N 3.31Å; K511-C513 PolarHBondContact O-N 3.43Å; K511-V514 PolarHBondContact O-N 2.91Å; K511-H515 PolarHBondContact O-CD2 3.36Å; K511-H515 VanDerWaalsContact O-CD2 3.26Å; K511-H515 PolarHBondContact O-N 3.15Å
512	R	97.7	Very high	95.6	Very high	91 Å²	91	49.9 Å²	49.9	34%	0.343	26%	0.258	S	S	.	.	H	α-helix	trans	-62.4	-38.3	176.3	-70.6	173	64.3	-163.9	-5.6	111.8	T508 L509 I510 V514 H515 E516 L525	T508-R512 HydrophobicContact CG2-CG 4.34Å; T508-R512 WeakPolarHBondContact O-CB 3.37Å; T508-R512 WeakPolarHBondContact O-CG 3.24Å; T508-R512 PolarHBondContact O-N 3.23Å; L509-R512 PolarHBondContact O-N 3.44Å; I510-R512 PolarHBondContact O-N 3.06Å; R512-V514 PolarHBondContact O-N 3.18Å; R512-H515 PolarHBondContact O-N 3.25Å; R512-E516 HydrophobicContact CB-CG 4.37Å; R512-E516 WeakPolarHBondContact CB-OE1 3.35Å; R512-E516 VanDerWaalsContact CG-OE1 3.31Å; R512-E516 WeakPolarHBondContact CG-OE1 3.44Å; R512-E516 IonicContact CZ-OE1 3.19Å; R512-E516 IonicContact CZ-OE2 3.44Å; R512-E516 IonicContact NE-OE1 3.73Å; R512-E516 PolarHBondContact NE-OE1 3.4Å; R512-E516 IonicContact NE-OE2 2.7Å; R512-E516 IonicContact NH2-OE1 3.01Å; R512-E516 PolarHBondContact NH2-OE1 2.8Å; R512-E516 IonicContact NH2-OE2 3.3Å; R512-E516 PolarHBondContact NH2-OE2 2.91Å; R512-E516 VanDerWaalsContact O-CB 3.29Å; R512-E516 WeakPolarHBondContact O-CB 3.18Å; R512-E516 PolarHBondContact O-N 3.32Å; R512-L525 HydrophobicContact CB-CD1 3.95Å; R512-L525 HydrophobicContact CB-CD2 4.11Å
513	C	97.2	Very high	95.7	Very high	2 Å²	2	52.7 Å²	52.7	1%	0.014	27%	0.268	C	S	.	.	H	α-helix	trans	-57.1	-32.1	176.7	176.2	0	0	0	0	112.8	I474 C478 L509 I510 K511 R522 L525	I474-C513 VanDerWaalsContact CG2-SG 3.56Å; C478-C513 HydrophobicContact CB-CB 3.7Å; C478-C513 WeakPolarHBondContact CB-SG 3.23Å; C478-C513 WeakPolarHBondContact SG-CB 3.21Å; C478-C513 CovalentContact SG-SG 2.04Å; C478-C513 PolarHBondContact SG-SG 3.31Å; L509-C513 WeakPolarHBondContact O-CB 3.25Å; L509-C513 PolarHBondContact O-N 3.36Å; I510-C513 VanDerWaalsContact O-CB 3.31Å; I510-C513 WeakPolarHBondContact O-CB 3.46Å; I510-C513 PolarHBondContact O-N 3.09Å; K511-C513 VanDerWaalsContact C-N 3.31Å; K511-C513 PolarHBondContact O-N 3.43Å; C513-R522 WeakPolarHBondContact O-CD 3.31Å; C513-R522 PolarHBondContact O-NE 2.72Å; C513-L525 HydrophobicContact CB-CB 4.42Å; C513-L525 HydrophobicContact CB-CD1 4.45Å
514	V	96.3	Very high	95.7	Very high	1 Å²	1	57 Å²	57	1%	0.006	29%	0.285	C	S	.	.	H	α-helix	trans	-78.4	-46.6	175.4	178.4	0	0	0	0	112.4	L426 C478 L482 Y483 I510 K511 R512	L426-V514 HydrophobicContact CD1-CG1 3.88Å; L426-V514 HydrophobicContact CD2-CG1 3.94Å; L426-V514 HydrophobicContact CG-CG1 4.48Å; C478-V514 HydrophobicContact CB-CG2 3.6Å; C478-V514 WeakPolarHBondContact O-CG2 3.32Å; L482-V514 HydrophobicContact CD1-CB 4.09Å; L482-V514 HydrophobicContact CD1-CG2 3.49Å; L482-V514 VanDerWaalsContact CD1-CG2 3.49Å; L482-V514 HydrophobicContact CG-CG2 4.45Å; Y483-V514 HydrophobicContact CE2-CG1 4.21Å; I510-V514 PolarHBondContact O-N 2.95Å; K511-V514 PolarHBondContact O-N 2.91Å; R512-V514 PolarHBondContact O-N 3.18Å
515	H	96.5	Very high	95.9	Very high	82 Å²	82	51.5 Å²	51.5	38%	0.38	26%	0.256	S	S	.	.	H	α-helix	trans	-91.3	-19.2	-167.7	-69.6	-73.3	0	0	0	114.8	T423 L426 Y483 K511 R512	T423-H515 WeakPolarHBondContact CG2-O 3.42Å; L426-H515 WeakPolarHBondContact CD2-CE1 3.44Å; Y483-H515 PolarHBondContact OH-NE2 2Å; K511-H515 PolarHBondContact O-CD2 3.36Å; K511-H515 VanDerWaalsContact O-CD2 3.26Å; K511-H515 PolarHBondContact O-N 3.15Å; R512-H515 PolarHBondContact O-N 3.25Å
516	E	95.9	Very high	95.9	Very high	64 Å²	64	46 Å²	46	30%	0.299	23%	0.23	S	C	.	.			trans	-92.6	135.2	174.7	-65.4	178.1	-158.8	0	0	109.9	R512 V521 R522 L525	R512-E516 HydrophobicContact CB-CG 4.37Å; R512-E516 WeakPolarHBondContact CB-OE1 3.35Å; R512-E516 VanDerWaalsContact CG-OE1 3.31Å; R512-E516 WeakPolarHBondContact CG-OE1 3.44Å; R512-E516 IonicContact CZ-OE1 3.19Å; R512-E516 IonicContact CZ-OE2 3.44Å; R512-E516 IonicContact NE-OE1 3.73Å; R512-E516 PolarHBondContact NE-OE1 3.4Å; R512-E516 IonicContact NE-OE2 2.7Å; R512-E516 IonicContact NH2-OE1 3.01Å; R512-E516 PolarHBondContact NH2-OE1 2.8Å; R512-E516 IonicContact NH2-OE2 3.3Å; R512-E516 PolarHBondContact NH2-OE2 2.91Å; R512-E516 VanDerWaalsContact O-CB 3.29Å; R512-E516 WeakPolarHBondContact O-CB 3.18Å; R512-E516 PolarHBondContact O-N 3.32Å; E516-V521 HydrophobicContact CB-CG1 3.98Å; E516-R522 PolarHBondContact O-NE 3.02Å; E516-R522 VanDerWaalsContact O-NE 3.11Å; E516-R522 PolarHBondContact O-NH2 3.25Å; E516-L525 HydrophobicContact CB-CD1 4.37Å
517	S	93.6	Very high	95.9	Very high	58 Å²	58	50.1 Å²	50.1	41%	0.406	25%	0.25	S	C	.	.			trans	-124.1	149.2	174.4	63.5	0	0	0	0	110.2	V421	V421-S517 VanDerWaalsContact O-CB 3.31Å; V421-S517 WeakPolarHBondContact O-CB 2.93Å
518	G	92.4	Very high	96	Very high	22 Å²	22	51.2 Å²	51.2	23%	0.227	26%	0.256	C	S	.	.	S	Bend	trans	152	151.1	178.2	0	0	0	0	0	110.4	S420 G520 V521	S420-G518 PolarHBondContact OG-N 3.31Å; G518-G520 PolarHBondContact O-N 3.2Å; G518-V521 WeakPolarHBondContact O-CB 2.84Å; G518-V521 PolarHBondContact O-N 2.84Å; G518-V521 VanDerWaalsContact O-N 3.08Å
519	I	91.4	Very high	96	Very high	102 Å²	102	48.7 Å²	48.7	52%	0.523	24%	0.241	S	C	.	.	T	Hydrogen-bonded Turn	trans	-55.1	126.8	179.1	-61.8	171.4	0	0	0	109.2	E418 V521	E418-I519 HydrophobicContact CB-CG2 4.4Å; I519-V521 PolarHBondContact O-N 3.13Å
520	G	91.9	Very high	96	Very high	19 Å²	19	48.9 Å²	48.9	20%	0.196	24%	0.24	C	C	.	.	T	Hydrogen-bonded Turn	trans	67.1	-9.1	-178.3	0	0	0	0	0	117.2	E418 G518 R523 Q524	E418-G520 PolarHBondContact OE2-N 2.9Å; E418-G520 VanDerWaalsContact OE2-N 3.11Å; G518-G520 PolarHBondContact O-N 3.2Å; G520-R523 PolarHBondContact O-N 2.65Å; G520-Q524 WeakPolarHBondContact O-CG 3.19Å; G520-Q524 PolarHBondContact O-N 3Å
521	V	95.9	Very high	96	Very high	42 Å²	42	54 Å²	54	26%	0.255	26%	0.264	S	S	.	.	H	α-helix	trans	-62.1	-50.7	-175.5	174.4	0	0	0	0	110.9	E516 G518 I519 R523 Q524 L525	E516-V521 HydrophobicContact CB-CG1 3.98Å; G518-V521 WeakPolarHBondContact O-CB 2.84Å; G518-V521 PolarHBondContact O-N 2.84Å; G518-V521 VanDerWaalsContact O-N 3.08Å; I519-V521 PolarHBondContact O-N 3.13Å; V521-R523 VanDerWaalsContact C-N 3.33Å; V521-R523 PolarHBondContact O-N 2.72Å; V521-Q524 PolarHBondContact O-N 3.11Å; V521-L525 HydrophobicContact CG1-CD1 4.07Å; V521-L525 WeakPolarHBondContact O-CG 3.37Å; V521-L525 PolarHBondContact O-N 3.23Å
522	R	96.5	Very high	96	Very high	0 Å²	0	50.3 Å²	50.3	0%	0	25%	0.248	C	C	.	.	H	α-helix	trans	-67.2	-33.7	-179.6	-62.9	-167.4	176	93.2	-3.4	112.9	V421 D471 I474 C513 E516 L525 I526	V421-R522 PolarHBondContact O-NH1 2.97Å; V421-R522 PolarHBondContact O-NH2 2.96Å; D471-R522 HydrophobicContact CB-CB 4.29Å; D471-R522 IonicContact OD1-NH1 3.47Å; D471-R522 VanDerWaalsContact OD2-CD 3.24Å; D471-R522 WeakPolarHBondContact OD2-CD 3.44Å; D471-R522 WeakPolarHBondContact OD2-CG 3.27Å; D471-R522 IonicContact OD2-CZ 3.68Å; D471-R522 IonicContact OD2-NE 3.34Å; D471-R522 IonicContact OD2-NH1 2.63Å; D471-R522 PolarHBondContact OD2-NH1 3.39Å; I474-R522 HydrophobicContact CB-CB 4.49Å; I474-R522 HydrophobicContact CG2-CB 3.6Å; C513-R522 WeakPolarHBondContact O-CD 3.31Å; C513-R522 PolarHBondContact O-NE 2.72Å; E516-R522 PolarHBondContact O-NE 3.02Å; E516-R522 VanDerWaalsContact O-NE 3.11Å; E516-R522 PolarHBondContact O-NH2 3.25Å; R522-L525 PolarHBondContact O-N 2.85Å; R522-I526 PolarHBondContact O-N 3.25Å
523	R	95	Very high	96	Very high	73 Å²	73	46 Å²	46	28%	0.275	23%	0.231	S	C	.	.	H	α-helix	trans	-59.6	-49.4	172.6	-66.6	-174.1	-172.2	-89.8	-5.5	110.6	E342 E418 S470 I474 G520 V521 L525 I526 E527	E342-R523 IonicContact OE1-NH2 3.4Å; E342-R523 IonicContact OE2-CZ 3.79Å; E342-R523 IonicContact OE2-NH1 3.79Å; E342-R523 PolarHBondContact OE2-NH1 3.05Å; E342-R523 IonicContact OE2-NH2 2.69Å; E342-R523 PolarHBondContact OE2-NH2 3.33Å; E418-R523 IonicContact OE1-CZ 3.62Å; E418-R523 IonicContact OE1-NE 3.04Å; E418-R523 PolarHBondContact OE1-NE 3.46Å; E418-R523 IonicContact OE1-NH2 3.38Å; E418-R523 PolarHBondContact OE1-NH2 3.41Å; E418-R523 VanDerWaalsContact OE1-NH2 3.12Å; S470-R523 PolarHBondContact O-NH2 3.4Å; I474-R523 HydrophobicContact CD1-CB 4.34Å; I474-R523 HydrophobicContact CD1-CG 3.51Å; G520-R523 PolarHBondContact O-N 2.65Å; V521-R523 VanDerWaalsContact C-N 3.33Å; V521-R523 PolarHBondContact O-N 2.72Å; R523-L525 VanDerWaalsContact C-N 3.3Å; R523-L525 PolarHBondContact O-N 3.01Å; R523-I526 PolarHBondContact O-N 2.64Å; R523-E527 WeakPolarHBondContact O-CG 3.22Å; R523-E527 PolarHBondContact O-N 3.41Å
524	Q	96.8	Very high	95.9	Very high	123 Å²	123	52.3 Å²	52.3	58%	0.575	26%	0.259	S	S	*	.	H	α-helix	trans	-61	-36.9	176.4	-69.3	178.2	6.5	0	0	113.2	G520 V521 E527 K528	G520-Q524 WeakPolarHBondContact O-CG 3.19Å; G520-Q524 PolarHBondContact O-N 3Å; V521-Q524 PolarHBondContact O-N 3.11Å; Q524-E527 PolarHBondContact O-N 2.94Å; Q524-K528 WeakPolarHBondContact O-CG 3.47Å; Q524-K528 PolarHBondContact O-N 3.28Å; Q524-K528 VanDerWaalsContact O-N 3.09Å
525	L	97.8	Very high	95.8	Very high	4 Å²	4	58.2 Å²	58.2	2%	0.021	29%	0.286	C	S	.	.	H	α-helix	trans	-67.9	-42.5	177.9	-70.3	169.8	0	0	0	112.1	L509 R512 C513 E516 V521 R522 R523 K528 A529	L509-L525 HydrophobicContact CD2-CD2 4Å; R512-L525 HydrophobicContact CB-CD1 3.95Å; R512-L525 HydrophobicContact CB-CD2 4.11Å; C513-L525 HydrophobicContact CB-CB 4.42Å; C513-L525 HydrophobicContact CB-CD1 4.45Å; E516-L525 HydrophobicContact CB-CD1 4.37Å; V521-L525 HydrophobicContact CG1-CD1 4.07Å; V521-L525 WeakPolarHBondContact O-CG 3.37Å; V521-L525 PolarHBondContact O-N 3.23Å; R522-L525 PolarHBondContact O-N 2.85Å; R523-L525 VanDerWaalsContact C-N 3.3Å; R523-L525 PolarHBondContact O-N 3.01Å; L525-K528 PolarHBondContact O-N 2.9Å; L525-A529 WeakPolarHBondContact O-CB 3.46Å; L525-A529 PolarHBondContact O-N 2.83Å
526	I	96.5	Very high	95.5	Very high	6 Å²	6	58.2 Å²	58.2	3%	0.031	29%	0.289	C	S	.	.	H	α-helix	trans	-62.4	-44.4	172.7	-78.6	-160.3	0	0	0	110.9	L335 I474 R522 R523 K528 A529 R530	L335-I526 HydrophobicContact CB-CG2 4.47Å; L335-I526 HydrophobicContact CD2-CD1 4.07Å; L335-I526 HydrophobicContact CD2-CG1 4.3Å; I474-I526 HydrophobicContact CB-CD1 3.94Å; I474-I526 HydrophobicContact CD1-CD1 4.45Å; I474-I526 HydrophobicContact CG1-CD1 3.9Å; I474-I526 HydrophobicContact CG2-CD1 3.33Å; I474-I526 HydrophobicContact CG2-CG1 3.73Å; R522-I526 PolarHBondContact O-N 3.25Å; R523-I526 PolarHBondContact O-N 2.64Å; I526-K528 VanDerWaalsContact C-N 3.32Å; I526-K528 PolarHBondContact O-N 3.06Å; I526-A529 WeakPolarHBondContact O-CB 3.44Å; I526-A529 PolarHBondContact O-N 3.19Å; I526-A529 VanDerWaalsContact O-N 3.07Å; I526-R530 HydrophobicContact CG2-CG 4.1Å; I526-R530 WeakPolarHBondContact O-CG 2.86Å; I526-R530 PolarHBondContact O-N 3.15Å
527	E	97	Very high	95.1	Very high	87 Å²	87	60.2 Å²	60.2	41%	0.407	30%	0.3	S	S	.	.	H	α-helix	trans	-56.5	-46.1	177.1	-70	-38.3	116.6	0	0	112.7	R523 Q524 A529 R530 H531	R523-E527 WeakPolarHBondContact O-CG 3.22Å; R523-E527 PolarHBondContact O-N 3.41Å; Q524-E527 PolarHBondContact O-N 2.94Å; E527-A529 VanDerWaalsContact C-N 3.32Å; E527-A529 PolarHBondContact O-N 3.41Å; E527-R530 PolarHBondContact O-N 3.03Å; E527-R530 IonicContact OE1-CZ 3.12Å; E527-R530 IonicContact OE1-NE 3.37Å; E527-R530 PolarHBondContact OE1-NE 2.95Å; E527-R530 IonicContact OE1-NH2 2.64Å; E527-R530 PolarHBondContact OE1-NH2 3.15Å; E527-R530 IonicContact OE2-CZ 3.4Å; E527-R530 IonicContact OE2-NE 3.37Å; E527-R530 PolarHBondContact OE2-NE 3.06Å; E527-R530 IonicContact OE2-NH2 2.72Å; E527-R530 PolarHBondContact OE2-NH2 2.99Å; E527-H531 WeakPolarHBondContact O-CB 3.49Å; E527-H531 PolarHBondContact O-N 3.21Å
528	K	97.8	Very high	95.2	Very high	112 Å²	112	60.3 Å²	60.3	49%	0.487	30%	0.295	S	S	.	.	H	α-helix	trans	-61.4	-41.4	176.2	-72.4	174.8	-177.4	178.4	0	111.6	L509 Q524 L525 I526 H531 F532	L509-K528 HydrophobicContact CD1-CB 4.04Å; L509-K528 HydrophobicContact CD2-CB 3.98Å; L509-K528 HydrophobicContact CD2-CD 4.41Å; Q524-K528 WeakPolarHBondContact O-CG 3.47Å; Q524-K528 PolarHBondContact O-N 3.28Å; Q524-K528 VanDerWaalsContact O-N 3.09Å; L525-K528 PolarHBondContact O-N 2.9Å; I526-K528 VanDerWaalsContact C-N 3.32Å; I526-K528 PolarHBondContact O-N 3.06Å; K528-H531 PolarHBondContact O-N 3.06Å; K528-F532 WeakPolarHBondContact O-CB 3.4Å; K528-F532 PolarHBondContact O-N 3.5Å
529	A	97.9	Very high	95.3	Very high	2 Å²	2	62.3 Å²	62.3	2%	0.017	30%	0.299	C	S	.	.	H	α-helix	trans	-64.4	-44.9	177.9	0	0	0	0	0	111.7	L335 L506 L509 L525 I526 E527 F532 I533	L335-A529 HydrophobicContact CD1-CB 3.93Å; L506-A529 HydrophobicContact CD1-CB 3.61Å; L509-A529 HydrophobicContact CB-CB 4.24Å; L509-A529 HydrophobicContact CD1-CB 4.21Å; L525-A529 WeakPolarHBondContact O-CB 3.46Å; L525-A529 PolarHBondContact O-N 2.83Å; I526-A529 WeakPolarHBondContact O-CB 3.44Å; I526-A529 PolarHBondContact O-N 3.19Å; I526-A529 VanDerWaalsContact O-N 3.07Å; E527-A529 VanDerWaalsContact C-N 3.32Å; E527-A529 PolarHBondContact O-N 3.41Å; A529-F532 PolarHBondContact O-N 3.22Å; A529-I533 VanDerWaalsContact O-CG1 3.28Å; A529-I533 WeakPolarHBondContact O-CG1 3.14Å; A529-I533 PolarHBondContact O-N 3.21Å
530	R	97.6	Very high	95.5	Very high	28 Å²	28	60.1 Å²	60.1	11%	0.106	29%	0.286	C	S	.	.	H	α-helix	trans	-63.3	-43.5	176.7	-65	-170.9	-53.5	179.8	11.4	111.8	L332 L335 E339 I526 E527 I533 K534	L332-R530 HydrophobicContact CD1-CB 3.88Å; L332-R530 HydrophobicContact CD1-CG 4.02Å; L335-R530 HydrophobicContact CB-CG 3.94Å; L335-R530 HydrophobicContact CD1-CG 4.27Å; E339-R530 IonicContact OE1-CZ 3.21Å; E339-R530 IonicContact OE1-NH1 2.73Å; E339-R530 PolarHBondContact OE1-NH1 2.96Å; E339-R530 IonicContact OE1-NH2 2.8Å; E339-R530 PolarHBondContact OE1-NH2 2.93Å; E339-R530 IonicContact OE2-NH1 3.06Å; E339-R530 PolarHBondContact OE2-NH1 3.05Å; I526-R530 HydrophobicContact CG2-CG 4.1Å; I526-R530 WeakPolarHBondContact O-CG 2.86Å; I526-R530 PolarHBondContact O-N 3.15Å; E527-R530 PolarHBondContact O-N 3.03Å; E527-R530 IonicContact OE1-CZ 3.12Å; E527-R530 IonicContact OE1-NE 3.37Å; E527-R530 PolarHBondContact OE1-NE 2.95Å; E527-R530 IonicContact OE1-NH2 2.64Å; E527-R530 PolarHBondContact OE1-NH2 3.15Å; E527-R530 IonicContact OE2-CZ 3.4Å; E527-R530 IonicContact OE2-NE 3.37Å; E527-R530 PolarHBondContact OE2-NE 3.06Å; E527-R530 IonicContact OE2-NH2 2.72Å; E527-R530 PolarHBondContact OE2-NH2 2.99Å; R530-I533 PolarHBondContact O-N 2.88Å; R530-K534 WeakPolarHBondContact O-CG 3.46Å; R530-K534 PolarHBondContact O-N 3.37Å
531	H	97.5	Very high	95.7	Very high	111 Å²	111	62.5 Å²	62.5	51%	0.514	29%	0.292	S	S	.	.	H	α-helix	trans	-61.4	-46	176.5	-175.3	69.2	0	0	0	111.6	E527 K528 I533 K534 Q535	E527-H531 WeakPolarHBondContact O-CB 3.49Å; E527-H531 PolarHBondContact O-N 3.21Å; K528-H531 PolarHBondContact O-N 3.06Å; H531-I533 PolarHBondContact O-N 3.19Å; H531-K534 PolarHBondContact O-N 3.28Å; H531-Q535 PolarHBondContact NE2-NE2 3.07Å; H531-Q535 WeakPolarHBondContact O-CG 3.5Å; H531-Q535 PolarHBondContact O-N 2.92Å
532	F	97.2	Very high	95.7	Very high	28 Å²	28	63.8 Å²	63.8	12%	0.123	29%	0.294	C	S	.	.	H	α-helix	trans	-58.6	-46.1	176.1	-178.2	-88.7	0	0	0	112	P503 E505 L506 K528 A529 K534 Q535 N536	P503-F532 HydrophobicContact CB-CE1 3.63Å; P503-F532 HydrophobicContact CB-CZ 3.66Å; P503-F532 HydrophobicContact CG-CE1 3.95Å; P503-F532 HydrophobicContact CG-CZ 4.25Å; E505-F532 HydrophobicContact CB-CD2 4.39Å; E505-F532 HydrophobicContact CB-CE2 3.89Å; E505-F532 HydrophobicContact CB-CZ 4.12Å; E505-F532 WeakPolarHBondContact OE2-CE2 3.21Å; E505-F532 WeakPolarHBondContact OE2-CZ 3.43Å; L506-F532 HydrophobicContact CB-CD1 3.77Å; L506-F532 HydrophobicContact CB-CE1 3.84Å; L506-F532 HydrophobicContact CD2-CD1 4.34Å; L506-F532 HydrophobicContact CG-CD1 4.44Å; K528-F532 WeakPolarHBondContact O-CB 3.4Å; K528-F532 PolarHBondContact O-N 3.5Å; A529-F532 PolarHBondContact O-N 3.22Å; F532-K534 PolarHBondContact O-N 3.1Å; F532-Q535 PolarHBondContact O-N 3.34Å; F532-N536 WeakPolarHBondContact CZ-ND2 3.39Å; F532-N536 PolarHBondContact O-N 3.38Å; F532-N536 PolarHBondContact O-ND2 3.18Å
533	I	97.2	Very high	95.7	Very high	0 Å²	0	68.1 Å²	68.1	0%	0	31%	0.314	C	S	.	.	H	α-helix	trans	-59.7	-47.4	177.7	-69.2	164.7	0	0	0	111	L328 L331 L332 L335 L506 A529 R530 H531 Q535 N536 I537	L328-I533 HydrophobicContact CB-CG2 4.04Å; L328-I533 HydrophobicContact CD2-CG1 4.22Å; L328-I533 WeakPolarHBondContact O-CG2 3.49Å; L331-I533 HydrophobicContact CB-CD1 3.98Å; L332-I533 HydrophobicContact CB-CG2 3.9Å; L332-I533 HydrophobicContact CD1-CG2 4.45Å; L332-I533 HydrophobicContact CD2-CG2 4.48Å; L335-I533 HydrophobicContact CD1-CD1 3.74Å; L506-I533 HydrophobicContact CD1-CD1 4.13Å; L506-I533 HydrophobicContact CD1-CG1 4.1Å; L506-I533 HydrophobicContact CD2-CD1 3.92Å; L506-I533 HydrophobicContact CD2-CG1 3.5Å; L506-I533 HydrophobicContact CG-CG1 4.49Å; A529-I533 VanDerWaalsContact O-CG1 3.28Å; A529-I533 WeakPolarHBondContact O-CG1 3.14Å; A529-I533 PolarHBondContact O-N 3.21Å; R530-I533 PolarHBondContact O-N 2.88Å; H531-I533 PolarHBondContact O-N 3.19Å; I533-Q535 PolarHBondContact O-N 3.07Å; I533-Q535 VanDerWaalsContact O-N 3.15Å; I533-N536 CarbonylContact O-C 3.59Å; I533-N536 PolarHBondContact O-N 2.99Å; I533-I537 HydrophobicContact CG2-CD1 3.43Å; I533-I537 VanDerWaalsContact CG2-CD1 3.43Å; I533-I537 HydrophobicContact CG2-CG1 4.03Å; I533-I537 PolarHBondContact O-N 2.78Å; I533-I537 VanDerWaalsContact O-N 3.13Å
534	K	96	Very high	95.7	Very high	135 Å²	135	67.7 Å²	67.7	59%	0.587	32%	0.316	S	S	*	.	H	α-helix	trans	-61.9	-21.2	179.6	-72.1	175.9	-179	-179	0	114	L332 R530 H531 F532	L332-K534 HydrophobicContact CD1-CG 4.28Å; L332-K534 HydrophobicContact CD2-CG 4.01Å; R530-K534 WeakPolarHBondContact O-CG 3.46Å; R530-K534 PolarHBondContact O-N 3.37Å; H531-K534 PolarHBondContact O-N 3.28Å; F532-K534 PolarHBondContact O-N 3.1Å
535	Q	94	Very high	95.6	Very high	124 Å²	124	63.5 Å²	63.5	58%	0.579	30%	0.296	S	S	*	.	H	α-helix	trans	-85.5	-14.4	174.9	-70.6	175.8	-29.9	0	0	113.4	H531 F532 I533	H531-Q535 PolarHBondContact NE2-NE2 3.07Å; H531-Q535 WeakPolarHBondContact O-CG 3.5Å; H531-Q535 PolarHBondContact O-N 2.92Å; F532-Q535 PolarHBondContact O-N 3.34Å; I533-Q535 PolarHBondContact O-N 3.07Å; I533-Q535 VanDerWaalsContact O-N 3.15Å
536	N	89.8	Confident	95.5	Very high	82 Å²	82	68.4 Å²	68.4	44%	0.439	32%	0.319	S	S	.	.	H	α-helix	trans	-119.2	5.3	-172.5	-72.6	-87.5	0	0	0	113.5	L328 F532 I533	L328-N536 HydrophobicContact CD1-CB 4.19Å; F532-N536 WeakPolarHBondContact CZ-ND2 3.39Å; F532-N536 PolarHBondContact O-N 3.38Å; F532-N536 PolarHBondContact O-ND2 3.18Å; I533-N536 CarbonylContact O-C 3.59Å; I533-N536 PolarHBondContact O-N 2.99Å
537	I	87	Confident	95.4	Very high	106 Å²	106	74.1 Å²	74.1	54%	0.544	35%	0.346	S	S	.	.			trans	-103.5	0	165	-62.5	173.7	0	0	0	106.4	L328 Q329 I533	L328-I537 HydrophobicContact CB-CD1 3.98Å; L328-I537 HydrophobicContact CB-CG1 3.81Å; L328-I537 HydrophobicContact CD1-CG1 4.41Å; Q329-I537 HydrophobicContact CB-CD1 4.16Å; I533-I537 HydrophobicContact CG2-CD1 3.43Å; I533-I537 VanDerWaalsContact CG2-CD1 3.43Å; I533-I537 HydrophobicContact CG2-CG1 4.03Å; I533-I537 PolarHBondContact O-N 2.78Å; I533-I537 VanDerWaalsContact O-N 3.13Å

Retrieved 537 of 537 residues in 1159.8 ms (Link to these results)

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