A0A096LWP4_POEFO Loading...

tryptophan 5-monooxygenase

Oxidizes L-tryptophan to 5-hydroxy-l-tryptophan in the rate-determining step of serotonin biosynthesis.

AlphaFold DB , UniProt , Accession A0A096LWP4, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 480 aa.

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	33.7	Very low	32.6	Very low	241 Å²	241	142.7 Å²	142.7	100%	1.187	72%	0.723	S	S	*	*				0	103	0	-79.6	174.7	169.4	0	0	107.4
2	Y	23.1	Very low	32.8	Very low	232 Å²	232	136.6 Å²	136.6	91%	0.91	72%	0.722	S	S	*	*			trans	-75.4	123.9	-179.7	-78.6	-89.9	0	0	0	109.2	N4	Y2-N4 PolarHBondContact O-N 3.14Å
3	S	27.2	Very low	32.4	Very low	113 Å²	113	143.2 Å²	143.2	79%	0.79	73%	0.731	S	S	*	*			trans	-82	111.6	173.4	-173.8	0	0	0	0	108.6	K5	S3-K5 PolarHBondContact O-N 3.19Å
4	N	27	Very low	32.1	Very low	147 Å²	147	138.5 Å²	138.5	79%	0.786	72%	0.717	S	S	*	*			trans	-70.1	106.2	171	-78	-20.7	0	0	0	108.6	Y2 V6	Y2-N4 PolarHBondContact O-N 3.14Å; N4-V6 PolarHBondContact O-N 2.93Å
5	K	30.4	Very low	32	Very low	206 Å²	206	140.7 Å²	140.7	90%	0.896	72%	0.72	S	S	*	*			trans	-69.9	109.1	162.8	-83.2	-171.9	173.6	-171.1	0	107.9	S3	S3-K5 PolarHBondContact O-N 3.19Å
6	V	30.7	Very low	31.8	Very low	131 Å²	131	141.4 Å²	141.4	79%	0.794	73%	0.725	S	S	*	*			trans	-74.9	124.1	167.2	178.8	0	0	0	0	106.9	N4 G8	N4-V6 PolarHBondContact O-N 2.93Å; V6-G8 PolarHBondContact O-N 3.36Å
7	E	33.9	Very low	31.7	Very low	152 Å²	152	138.2 Å²	138.2	71%	0.71	72%	0.719	S	S	*	*			trans	-60.9	115.9	169.2	-78.3	-171	124.1	0	0	108.7	R10	E7-R10 IonicContact OE1-CZ 3.59Å; E7-R10 IonicContact OE1-NH2 2.77Å; E7-R10 PolarHBondContact OE1-NH2 3.14Å
8	G	36.1	Very low	31.5	Very low	51 Å²	51	138.9 Å²	138.9	53%	0.526	72%	0.72	S	S	.	*	P	Polyproline II helix	trans	-66.2	161.3	174.5	0	0	0	0	0	112.3	V6 R10	V6-G8 PolarHBondContact O-N 3.36Å; G8-R10 PolarHBondContact O-N 2.88Å
9	P	35.7	Very low	31.4	Very low	86 Å²	86	139.6 Å²	139.6	56%	0.558	73%	0.725	S	S	*	*	P	Polyproline II helix	trans	-61.6	120.9	180	23.8	-30.9	0	0	0	110.8
10	R	38.4	Very low	31.1	Very low	172 Å²	172	141.6 Å²	141.6	65%	0.649	74%	0.735	S	S	*	*	P	Polyproline II helix	trans	-70.9	138	172.1	-61.2	-176.4	-172.4	-177.1	3.1	109.3	E7 G8 G12	E7-R10 IonicContact OE1-CZ 3.59Å; E7-R10 IonicContact OE1-NH2 2.77Å; E7-R10 PolarHBondContact OE1-NH2 3.14Å; G8-R10 PolarHBondContact O-N 2.88Å; R10-G12 PolarHBondContact O-N 3.45Å
11	R	43	Very low	30.8	Very low	39 Å²	39	138.2 Å²	138.2	15%	0.147	74%	0.735	C	S	.	*	T	Hydrogen-bonded Turn	trans	-55.6	112	172.1	-70	178.2	-175.3	-166.8	6.1	107.9	Y300 E376 T404 F405	R11-Y300 HydrophobicContact CB-CD2 3.79Å; R11-Y300 HydrophobicContact CB-CE2 3.69Å; R11-Y300 HydrophobicContact CG-CD2 4.37Å; R11-Y300 HydrophobicContact CG-CE2 4.13Å; R11-E376 IonicContact CZ-OE2 3.47Å; R11-E376 IonicContact NE-OE2 2.65Å; R11-E376 IonicContact NH1-OE2 3.07Å; R11-E376 IonicContact NH2-OE1 2.74Å; R11-E376 PolarHBondContact NH2-OE1 3.13Å; R11-E376 IonicContact NH2-OE2 3.43Å; R11-E376 PolarHBondContact NH2-OE2 3.4Å; R11-T404 VanDerWaalsContact NE-C 3.34Å; R11-T404 PolarHBondContact NE-O 3.14Å; R11-T404 PolarHBondContact NH2-O 3.49Å; R11-F405 HydrophobicContact CG-CD1 3.73Å; R11-F405 HydrophobicContact CG-CE1 3.43Å; R11-F405 VanDerWaalsContact CG-CE1 3.43Å; R11-F405 HydrophobicContact CG-CZ 4.01Å
12	G	34.9	Very low	30.4	Very low	69 Å²	69	136.8 Å²	136.8	71%	0.711	72%	0.722	S	S	*	*	T	Hydrogen-bonded Turn	trans	134	-0.2	177.7	0	0	0	0	0	117.9	R10	R10-G12 PolarHBondContact O-N 3.45Å
13	R	27.8	Very low	30.5	Very low	223 Å²	223	134.5 Å²	134.5	84%	0.842	72%	0.72	S	S	*	*			trans	-100.1	126.6	170.1	-73.4	-168.9	179.7	-173.8	1.5	112
14	S	27.2	Very low	30.3	Very low	77 Å²	77	137.3 Å²	137.3	54%	0.538	72%	0.721	S	S	.	*			trans	-57.7	133.8	171.1	175.3	0	0	0	0	110.8	D16 S17	S14-D16 PolarHBondContact O-N 3.46Å; S14-D16 VanDerWaalsContact O-N 3.15Å; S14-D16 PolarHBondContact OG-N 3.05Å; S14-S17 PolarHBondContact O-OG 2.91Å
15	F	31.2	Very low	30.2	Very low	171 Å²	171	139.6 Å²	139.6	75%	0.75	72%	0.724	S	S	*	*	G	3₁₀ helix	trans	-61.5	-18.1	179.4	-129.4	-97	0	0	0	112.9	S17	F15-S17 PolarHBondContact O-N 3.44Å
16	D	29.4	Very low	29.9	Very low	152 Å²	152	137.9 Å²	137.9	81%	0.813	72%	0.723	S	S	*	*	G	3₁₀ helix	trans	-76.3	-1.1	-174.1	-66.9	-27.3	0	0	0	114.8	S14	S14-D16 PolarHBondContact O-N 3.46Å; S14-D16 VanDerWaalsContact O-N 3.15Å; S14-D16 PolarHBondContact OG-N 3.05Å
17	S	29.5	Very low	29.5	Very low	87 Å²	87	139.1 Å²	139.1	61%	0.608	72%	0.724	S	S	*	*	G	3₁₀ helix	trans	-103.6	7.1	-176.5	52.9	0	0	0	0	115.1	S14 F15 N19	S14-S17 PolarHBondContact O-OG 2.91Å; F15-S17 PolarHBondContact O-N 3.44Å; S17-N19 PolarHBondContact O-N 3.06Å
18	M	28.2	Very low	29.1	Very low	152 Å²	152	137.9 Å²	137.9	75%	0.749	72%	0.723	S	S	*	*			trans	-90.8	15.8	-174.8	-90.8	-168.8	168.9	0	0	116.4
19	N	28.7	Very low	28.5	Very low	152 Å²	152	141.9 Å²	141.9	81%	0.813	73%	0.732	S	S	*	*	S	Bend	trans	-132.9	94.8	168.5	-92.6	-25.8	0	0	0	109.7	S17	S17-N19 PolarHBondContact O-N 3.06Å
20	I	26	Very low	27.9	Very low	178 Å²	178	146.4 Å²	146.4	91%	0.913	75%	0.746	S	S	*	*	S	Bend	trans	174.9	125	145.1	-85.4	146.4	0	0	0	107.5
21	G	24.8	Very low	27.2	Very low	72 Å²	72	145.7 Å²	145.7	74%	0.742	75%	0.753	S	S	*	*			trans	101.2	73.8	152.5	0	0	0	0	0	117.4
22	F	25.3	Very low	26.4	Very low	211 Å²	211	151.2 Å²	151.2	93%	0.925	79%	0.786	S	S	*	*			trans	-69.2	122.9	143.9	-98.1	-98.2	0	0	0	108
23	E	24.6	Very low	25.8	Very low	184 Å²	184	158 Å²	158	86%	0.86	80%	0.796	S	S	*	*			trans	144.3	140.2	145.4	-80.8	-178.7	166	0	0	112.9
24	E	23.9	Very low	25.7	Very low	172 Å²	172	153 Å²	153	80%	0.804	79%	0.794	S	S	*	*			trans	74.7	98.2	166.9	-65.2	-166.6	156.8	0	0	119.9
25	K	25.5	Very low	25.5	Very low	195 Å²	195	154.9 Å²	154.9	85%	0.848	80%	0.803	S	S	*	*				175.3	103.4	101.1	-94.6	166.2	-173	175.5	0	112.1
26	L	22.8	Very low	25.1	Very low	169 Å²	169	157 Å²	157	89%	0.885	81%	0.813	S	S	*	*			trans	-75.2	125	148.3	-81.7	150.6	0	0	0	107.7
27	L	23.4	Very low	24.9	Very low	157 Å²	157	155.2 Å²	155.2	82%	0.822	81%	0.807	S	S	*	*			trans	166.2	129.1	133.9	-93.7	144.9	0	0	0	111.8
28	N	23.8	Very low	24.6	Very low	126 Å²	126	161 Å²	161	67%	0.674	82%	0.821	S	S	*	*			trans	99	105.3	153.2	-67.1	-2.5	0	0	0	120.9
29	N	24.1	Very low	24.5	Very low	136 Å²	136	161.6 Å²	161.6	73%	0.727	83%	0.826	S	S	*	*			trans	82.1	100.2	131.4	-61.2	-2.8	0	0	0	116.6
30	E	23	Very low	24.3	Very low	180 Å²	180	163.2 Å²	163.2	84%	0.841	83%	0.828	S	S	*	*				45.8	110.8	75.6	-70.2	-162.6	163.1	0	0	113.4
31	I	25.2	Very low	24.4	Very low	157 Å²	157	164 Å²	164	81%	0.805	83%	0.828	S	S	*	*				-172.1	133.7	125.3	-90.4	153.5	0	0	0	109.1
32	N	24.6	Very low	24.4	Very low	155 Å²	155	168.2 Å²	168.2	83%	0.829	83%	0.834	S	S	*	*			trans	85.4	75.1	165.4	-63.4	-15.9	0	0	0	120.4
33	K	22.8	Very low	24.8	Very low	213 Å²	213	165 Å²	165	93%	0.926	83%	0.831	S	S	*	*			trans	-97.7	128.7	142.3	-96.8	178.2	175.8	172.2	0	109.1
34	S	24.7	Very low	24.8	Very low	116 Å²	116	164 Å²	164	81%	0.811	83%	0.827	S	S	*	*			trans	-124.3	92.5	163.6	63.4	0	0	0	0	110.6
35	T	24.3	Very low	25.4	Very low	117 Å²	117	166 Å²	166	72%	0.718	83%	0.833	S	S	*	*			trans	26.2	113.1	136	-35.8	0	0	0	0	119.5
36	F	23.1	Very low	25.5	Very low	217 Å²	217	165.3 Å²	165.3	95%	0.952	83%	0.83	S	S	*	*			trans	-92.1	114	151.3	-108.4	-93.2	0	0	0	108.4
37	T	24.1	Very low	25.9	Very low	113 Å²	113	165.6 Å²	165.6	69%	0.693	83%	0.832	S	S	*	*			trans	-88.8	127.2	175.9	-19.3	0	0	0	0	109.3
38	K	23.8	Very low	26.2	Very low	209 Å²	209	163.4 Å²	163.4	91%	0.909	83%	0.83	S	S	*	*			trans	-65.1	133.2	164.8	-76.9	175.9	171.5	-179.3	0	109
39	I	26.4	Very low	27	Very low	165 Å²	165	161.1 Å²	161.1	85%	0.846	82%	0.824	S	S	*	*			trans	-121.6	134.9	164.2	-67.3	176.3	0	0	0	107.7
40	E	24.4	Very low	27.9	Very low	185 Å²	185	163.3 Å²	163.3	86%	0.864	83%	0.83	S	S	*	*			trans	-68.1	154.4	-169.8	-66.2	169.7	148.8	0	0	113.9
41	E	27.2	Very low	29.2	Very low	195 Å²	195	163 Å²	163	91%	0.911	83%	0.826	S	S	*	*			trans	-60.1	131	172.6	-69.4	174.8	146.8	0	0	111.5
42	N	25.6	Very low	30.9	Very low	161 Å²	161	157.3 Å²	157.3	86%	0.861	81%	0.805	S	S	*	*			trans	-126.3	116.6	158.1	-112.3	-17.1	0	0	0	108.8	E44	N42-E44 PolarHBondContact O-N 3.45Å
43	T	32.6	Very low	33.3	Very low	142 Å²	142	159.9 Å²	159.9	87%	0.871	80%	0.804	S	S	*	*			trans	-63.9	110.1	174.4	33.7	0	0	0	0	111.6
44	E	26.2	Very low	35.9	Very low	165 Å²	165	150.6 Å²	150.6	77%	0.771	77%	0.766	S	S	*	*			trans	-133.3	124.5	157.4	-75.6	-168	168.6	0	0	110	N42 K46	N42-E44 PolarHBondContact O-N 3.45Å; E44-K46 PolarHBondContact O-N 3.26Å
45	K	35.9	Very low	38.4	Very low	214 Å²	214	148.5 Å²	148.5	93%	0.93	75%	0.749	S	S	*	*			trans	-57.3	114.1	172.6	-75.5	174.1	173.5	176.1	0	110.2
46	K	27.5	Very low	41.1	Very low	180 Å²	180	142.9 Å²	142.9	78%	0.783	71%	0.714	S	S	*	*			trans	-139	124.2	161.5	-83.8	-177.4	178.1	166.7	0	110.4	E44 S48	E44-K46 PolarHBondContact O-N 3.26Å; K46-S48 PolarHBondContact O-N 2.95Å; K46-S48 VanDerWaalsContact O-N 3.1Å
47	N	30.4	Very low	43.9	Very low	174 Å²	174	134.7 Å²	134.7	93%	0.93	68%	0.68	S	S	*	*			trans	-52.2	109.8	167.9	-70	-19.6	0	0	0	109.4
48	S	30.7	Very low	46.7	Very low	111 Å²	111	129.4 Å²	129.4	78%	0.776	65%	0.647	S	S	*	*			trans	-91.5	105.4	171.6	55	0	0	0	0	108.9	K46	K46-S48 PolarHBondContact O-N 2.95Å; K46-S48 VanDerWaalsContact O-N 3.1Å
49	S	40.7	Very low	49.5	Very low	78 Å²	78	119.9 Å²	119.9	55%	0.545	61%	0.607	S	S	.	*			trans	-66.5	129.6	157.4	65.3	0	0	0	0	107.8	K51	S49-K51 PolarHBondContact O-N 3.46Å
50	E	42	Very low	52.2	Low	183 Å²	183	112.7 Å²	112.7	86%	0.855	57%	0.57	S	S	*	*			trans	-57.8	124.7	176.5	-77.8	177.8	141.9	0	0	109.4	G52	E50-G52 PolarHBondContact O-N 3.4Å
51	K	50.4	Low	54.8	Low	174 Å²	174	109.2 Å²	109.2	76%	0.757	55%	0.552	S	S	*	*			trans	-76.6	105.1	170.5	-74.2	-177.2	174.7	-175.3	0	107.8	S49	S49-K51 PolarHBondContact O-N 3.46Å
52	G	62.3	Low	57.1	Low	36 Å²	36	105.6 Å²	105.6	37%	0.371	54%	0.539	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-84	156.4	173.1	0	0	0	0	0	111.5	E50 S104	E50-G52 PolarHBondContact O-N 3.4Å; G52-S104 CarbonylContact C-O 3.56Å; G52-S104 PolarHBondContact N-O 3.05Å; G52-S104 PolarHBondContact O-N 2.83Å
53	R	74.6	Confident	59.7	Low	210 Å²	210	103.7 Å²	103.7	79%	0.792	53%	0.525	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-89.8	132.1	165.7	-72.4	-178.5	177.7	175.4	1.2	108.4	I82 C102 D103	R53-I82 HydrophobicContact CG-CD1 4.09Å; R53-C102 WeakPolarHBondContact CA-O 3.43Å; R53-D103 WeakPolarHBondContact CG-OD1 3.35Å
54	A	76.4	Confident	61.7	Low	17 Å²	17	104.3 Å²	104.3	14%	0.14	53%	0.528	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.6	142.7	178.1	0	0	0	0	0	110.2	D101 C102 L109	A54-D101 WeakPolarHBondContact O-CA 3.24Å; A54-C102 PolarHBondContact N-O 2.86Å; A54-C102 PolarHBondContact O-N 3.36Å; A54-L109 HydrophobicContact CB-CD1 3.76Å; A54-L109 HydrophobicContact CB-CD2 3.77Å; A54-L109 HydrophobicContact CB-CG 4.42Å
55	T	78.5	Confident	64.2	Low	72 Å²	72	98.1 Å²	98.1	44%	0.442	51%	0.509	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.8	124.5	172.6	-56.5	0	0	0	0	108.7	I57 V100 D101	T55-I57 HydrophobicContact CG2-CG1 4.35Å; T55-V100 CarbonylContact C-O 3.55Å; T55-V100 WeakPolarHBondContact CA-O 3.46Å; T55-D101 WeakPolarHBondContact CB-OD1 3.4Å; T55-D101 VanDerWaalsContact CG2-OD1 3.23Å; T55-D101 WeakPolarHBondContact CG2-OD1 3.48Å; T55-D101 PolarHBondContact OG1-OD1 3.16Å
56	I	80.9	Confident	66.3	Low	0 Å²	0	88.7 Å²	88.7	0%	0	47%	0.472	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.4	129.8	175.7	-46.6	-171.7	0	0	0	108.5	F58 F74 V100 L109 I112 L116 V123 M125	I56-F58 HydrophobicContact CG2-CD1 4.15Å; I56-F74 HydrophobicContact CD1-CE1 3.65Å; I56-F74 HydrophobicContact CD1-CZ 3.89Å; I56-V100 PolarHBondContact N-O 3.42Å; I56-V100 PolarHBondContact O-N 3.02Å; I56-L109 HydrophobicContact CD1-CD1 3.44Å; I56-L109 VanDerWaalsContact CD1-CD1 3.44Å; I56-L109 HydrophobicContact CG1-CD1 3.85Å; I56-I112 HydrophobicContact CD1-CG2 4.2Å; I56-L116 HydrophobicContact CG2-CD1 4.25Å; I56-V123 HydrophobicContact CG2-CG1 4.26Å; I56-M125 HydrophobicContact CB-CE 4.43Å; I56-M125 HydrophobicContact CD1-CE 4.13Å; I56-M125 HydrophobicContact CG1-CE 3.79Å; I56-M125 HydrophobicContact CG2-CE 4.23Å
57	I	81.1	Confident	68.9	Low	45 Å²	45	83.4 Å²	83.4	23%	0.231	45%	0.452	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.3	124.9	175.6	-53.4	172.2	0	0	0	108.5	T55 I98 F99 D124	T55-I57 HydrophobicContact CG2-CG1 4.35Å; I57-I98 WeakPolarHBondContact CA-O 3.25Å; I57-F99 HydrophobicContact CD1-CD1 3.8Å; I57-F99 HydrophobicContact CD1-CE1 3.61Å; I57-F99 HydrophobicContact CG1-CD1 3.7Å; I57-F99 HydrophobicContact CG1-CE1 3.94Å; I57-F99 HydrophobicContact CG2-CD1 4.34Å; I57-F99 HydrophobicContact CG2-CE1 4.11Å; I57-F99 HydrophobicContact CG2-CZ 4.31Å; I57-D124 HydrophobicContact CB-CB 4.49Å; I57-D124 PolarHBondContact N-O 2.96Å; I57-D124 PolarHBondContact O-N 2.92Å
58	F	84	Confident	71.5	Confident	1 Å²	1	79.2 Å²	79.2	0%	0.004	43%	0.433	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.9	149.2	175.5	61.7	-90.3	0	0	0	113.6	I56 L60 A70 F74 I98 V100 L116 V120 V122 V123	I56-F58 HydrophobicContact CG2-CD1 4.15Å; F58-L60 HydrophobicContact CD2-CD1 4.4Å; F58-L60 HydrophobicContact CD2-CD2 4.21Å; F58-L60 HydrophobicContact CD2-CG 3.86Å; F58-L60 HydrophobicContact CE2-CD1 3.74Å; F58-L60 HydrophobicContact CE2-CD2 4.14Å; F58-L60 HydrophobicContact CE2-CG 3.7Å; F58-A70 HydrophobicContact CE2-CB 3.7Å; F58-A70 HydrophobicContact CZ-CB 3.86Å; F58-F74 HydrophobicContact CE1-CE2 4.17Å; F58-F74 HydrophobicContact CE1-CZ 4.26Å; F58-I98 HydrophobicContact CD2-CB 4.29Å; F58-I98 HydrophobicContact CD2-CG1 4.44Å; F58-I98 HydrophobicContact CE1-CB 4.24Å; F58-I98 HydrophobicContact CE1-CG2 4.24Å; F58-I98 HydrophobicContact CE2-CB 3.89Å; F58-I98 HydrophobicContact CE2-CG1 3.96Å; F58-I98 HydrophobicContact CE2-CG2 4.34Å; F58-I98 HydrophobicContact CZ-CB 3.86Å; F58-I98 HydrophobicContact CZ-CG1 4.34Å; F58-I98 HydrophobicContact CZ-CG2 3.86Å; F58-I98 PolarHBondContact N-O 3.36Å; F58-I98 PolarHBondContact O-N 2.99Å; F58-V100 HydrophobicContact CE1-CG2 3.66Å; F58-V100 HydrophobicContact CZ-CG2 4.2Å; F58-L116 HydrophobicContact CD1-CD1 4.18Å; F58-L116 HydrophobicContact CE1-CD1 4.35Å; F58-L116 HydrophobicContact CE1-CD2 4.45Å; F58-L116 HydrophobicContact CZ-CD2 4.41Å; F58-V120 HydrophobicContact CB-CB 4.48Å; F58-V120 HydrophobicContact CB-CG2 3.87Å; F58-V120 HydrophobicContact CD2-CB 4.31Å; F58-V120 HydrophobicContact CD2-CG1 3.85Å; F58-V120 HydrophobicContact CD2-CG2 4.48Å; F58-V120 HydrophobicContact CE2-CG1 4.41Å; F58-V120 HydrophobicContact CG-CG2 4.49Å; F58-V122 CarbonylContact C-O 3.51Å; F58-V122 WeakPolarHBondContact CA-O 3.39Å; F58-V122 WeakPolarHBondContact CB-O 3.37Å; F58-V123 HydrophobicContact CB-CG2 4.18Å
59	S	82.2	Confident	74	Confident	9 Å²	9	80.7 Å²	80.7	6%	0.063	43%	0.425	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.4	123.9	-179.3	-58.5	0	0	0	0	112	F96 N121 V122	S59-F96 CarbonylContact C-O 3.49Å; S59-F96 VanDerWaalsContact CA-O 3.3Å; S59-F96 WeakPolarHBondContact CA-O 3.42Å; S59-N121 PolarHBondContact O-N 3.18Å; S59-V122 PolarHBondContact N-O 3.22Å
60	L	82.8	Confident	76.1	Confident	14 Å²	14	77.1 Å²	77.1	7%	0.073	40%	0.4	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.1	140.4	175.6	-72.7	179	0	0	0	111.6	F58 L67 A70 E95 F96 I98 V120	F58-L60 HydrophobicContact CD2-CD1 4.4Å; F58-L60 HydrophobicContact CD2-CD2 4.21Å; F58-L60 HydrophobicContact CD2-CG 3.86Å; F58-L60 HydrophobicContact CE2-CD1 3.74Å; F58-L60 HydrophobicContact CE2-CD2 4.14Å; F58-L60 HydrophobicContact CE2-CG 3.7Å; L60-L67 HydrophobicContact CD1-CB 4.14Å; L60-L67 HydrophobicContact CD1-CD1 4.01Å; L60-A70 HydrophobicContact CD1-CB 4.15Å; L60-A70 HydrophobicContact CD2-CB 4.43Å; L60-E95 CarbonylContact O-C 3.54Å; L60-E95 WeakPolarHBondContact O-CA 3.32Å; L60-F96 PolarHBondContact N-O 3.39Å; L60-F96 PolarHBondContact O-N 3.19Å; L60-I98 HydrophobicContact CD1-CG1 3.94Å; L60-I98 HydrophobicContact CG-CG1 4.31Å; L60-V120 HydrophobicContact CD2-CB 4.16Å; L60-V120 HydrophobicContact CD2-CG1 3.44Å; L60-V120 VanDerWaalsContact CD2-CG1 3.44Å; L60-V120 HydrophobicContact CG-CG1 4.47Å
61	K	79.1	Confident	78.2	Confident	112 Å²	112	70.5 Å²	70.5	49%	0.487	37%	0.371	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.5	146.5	165.5	-67.6	-175.9	-176	177.8	0	110.1	E63 E95 N121	K61-E63 VanDerWaalsContact C-N 3.26Å; K61-E63 HydrophobicContact CB-CG 4.09Å; K61-E63 PolarHBondContact O-N 3.26Å; K61-E95 HydrophobicContact CG-CG 4.32Å; K61-N121 WeakPolarHBondContact CE-ND2 3.46Å
62	N	76.1	Confident	79.8	Confident	119 Å²	119	67.3 Å²	67.3	64%	0.636	36%	0.357	S	S	*	.	S	Bend	trans	-71.8	80.2	175.4	-172.9	25.9	0	0	0	111.5	S94 F96	N62-S94 PolarHBondContact N-O 2.93Å; N62-S94 VanDerWaalsContact N-O 3.12Å; N62-F96 HydrophobicContact CB-CD2 4.12Å; N62-F96 HydrophobicContact CB-CE2 3.82Å
63	E	79.6	Confident	80.9	Confident	122 Å²	122	66.5 Å²	66.5	57%	0.57	34%	0.344	S	S	*	.			trans	-124.7	144.3	-179.9	-65	178.3	-165.1	0	0	110.8	K61 G65 G66	K61-E63 VanDerWaalsContact C-N 3.26Å; K61-E63 HydrophobicContact CB-CG 4.09Å; K61-E63 PolarHBondContact O-N 3.26Å; E63-G65 PolarHBondContact O-N 2.78Å; E63-G65 VanDerWaalsContact O-N 3.12Å; E63-G66 PolarHBondContact O-N 3.32Å
64	V	75	Confident	81.5	Confident	155 Å²	155	56.5 Å²	56.5	94%	0.939	31%	0.306	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.5	118.8	-179.7	-179.4	0	0	0	0	109.9	G66	V64-G66 VanDerWaalsContact C-N 3.34Å
65	G	77.7	Confident	81.8	Confident	35 Å²	35	62.7 Å²	62.7	36%	0.361	33%	0.332	S	S	.	.	T	Hydrogen-bonded Turn	trans	80	5.3	179.7	0	0	0	0	0	115.5	E63 V68 K69	E63-G65 PolarHBondContact O-N 2.78Å; E63-G65 VanDerWaalsContact O-N 3.12Å; G65-V68 PolarHBondContact O-N 2.83Å; G65-K69 WeakPolarHBondContact O-CG 3.39Å; G65-K69 PolarHBondContact O-N 3.47Å
66	G	80.5	Confident	82.2	Confident	16 Å²	16	65.5 Å²	65.5	17%	0.165	34%	0.34	C	S	.	.	H	α-helix	trans	-59.6	-46.6	178.3	0	0	0	0	0	113.2	E63 V64 V68 K69 A70	E63-G66 PolarHBondContact O-N 3.32Å; V64-G66 VanDerWaalsContact C-N 3.34Å; G66-V68 PolarHBondContact O-N 3.27Å; G66-K69 PolarHBondContact O-N 3.5Å; G66-A70 PolarHBondContact O-N 3Å; G66-A70 VanDerWaalsContact O-N 3.17Å
67	L	82.6	Confident	82.3	Confident	68 Å²	68	66.9 Å²	66.9	36%	0.356	35%	0.348	S	S	.	.	H	α-helix	trans	-63.9	-41.1	176.6	-179.1	60.6	0	0	0	112.3	L60 K69 A70 L71 I98	L60-L67 HydrophobicContact CD1-CB 4.14Å; L60-L67 HydrophobicContact CD1-CD1 4.01Å; L67-K69 VanDerWaalsContact C-N 3.3Å; L67-K69 PolarHBondContact O-N 3.18Å; L67-A70 PolarHBondContact O-N 3.31Å; L67-A70 VanDerWaalsContact O-N 3.16Å; L67-L71 HydrophobicContact CD1-CD1 4.21Å; L67-L71 HydrophobicContact CD1-CD2 4.47Å; L67-L71 HydrophobicContact CD1-CG 4.1Å; L67-L71 HydrophobicContact CG-CD1 4.09Å; L67-L71 HydrophobicContact CG-CG 4.34Å; L67-L71 WeakPolarHBondContact O-CG 3.35Å; L67-L71 PolarHBondContact O-N 3.35Å; L67-I98 HydrophobicContact CD1-CD1 3.99Å; L67-I98 HydrophobicContact CD1-CG1 4Å; L67-I98 HydrophobicContact CD1-CG2 4.05Å
68	V	84.1	Confident	82.4	Confident	87 Å²	87	72.4 Å²	72.4	53%	0.527	37%	0.372	S	S	.	.	H	α-helix	trans	-62.6	-39.6	178.9	178.6	0	0	0	0	111	G65 G66 K72	G65-V68 PolarHBondContact O-N 2.83Å; G66-V68 PolarHBondContact O-N 3.27Å; V68-K72 WeakPolarHBondContact O-CG 3.41Å; V68-K72 PolarHBondContact O-N 2.87Å
69	K	83.1	Confident	82.3	Confident	141 Å²	141	72.7 Å²	72.7	61%	0.613	37%	0.374	S	S	*	.	H	α-helix	trans	-63.4	-41.3	174.6	-71	174.6	-177	177.2	0	111.9	G65 G66 L67	G65-K69 WeakPolarHBondContact O-CG 3.39Å; G65-K69 PolarHBondContact O-N 3.47Å; G66-K69 PolarHBondContact O-N 3.5Å; L67-K69 VanDerWaalsContact C-N 3.3Å; L67-K69 PolarHBondContact O-N 3.18Å
70	A	84.5	Confident	82.2	Confident	3 Å²	3	77.3 Å²	77.3	3%	0.025	40%	0.398	C	S	.	.	H	α-helix	trans	-65.7	-45	178	0	0	0	0	0	112	F58 L60 G66 L67 K72 L73 F74 L116	F58-A70 HydrophobicContact CE2-CB 3.7Å; F58-A70 HydrophobicContact CZ-CB 3.86Å; L60-A70 HydrophobicContact CD1-CB 4.15Å; L60-A70 HydrophobicContact CD2-CB 4.43Å; G66-A70 PolarHBondContact O-N 3Å; G66-A70 VanDerWaalsContact O-N 3.17Å; L67-A70 PolarHBondContact O-N 3.31Å; L67-A70 VanDerWaalsContact O-N 3.16Å; A70-K72 VanDerWaalsContact C-N 3.33Å; A70-K72 PolarHBondContact O-N 2.85Å; A70-L73 WeakPolarHBondContact O-CB 3.49Å; A70-L73 PolarHBondContact O-N 3.27Å; A70-F74 WeakPolarHBondContact O-CD2 3.39Å; A70-L116 HydrophobicContact CB-CD2 4.22Å
71	L	85.7	Confident	82.3	Confident	44 Å²	44	79.5 Å²	79.5	23%	0.23	41%	0.409	C	S	.	.	H	α-helix	trans	-69	-29.4	179.9	-63.7	-178.7	0	0	0	113.2	L67 L73 F74 Q75 L81 I84	L67-L71 HydrophobicContact CD1-CD1 4.21Å; L67-L71 HydrophobicContact CD1-CD2 4.47Å; L67-L71 HydrophobicContact CD1-CG 4.1Å; L67-L71 HydrophobicContact CG-CD1 4.09Å; L67-L71 HydrophobicContact CG-CG 4.34Å; L67-L71 WeakPolarHBondContact O-CG 3.35Å; L67-L71 PolarHBondContact O-N 3.35Å; L71-L73 PolarHBondContact O-N 3.17Å; L71-F74 PolarHBondContact O-N 3.26Å; L71-F74 VanDerWaalsContact O-N 3.17Å; L71-Q75 PolarHBondContact O-N 3.23Å; L71-L81 HydrophobicContact CD2-CD1 3.8Å; L71-I84 HydrophobicContact CD1-CD1 4.04Å; L71-I84 HydrophobicContact CD2-CD1 3.85Å
72	K	84.9	Confident	82.4	Confident	108 Å²	108	78 Å²	78	47%	0.47	41%	0.406	S	S	.	.	H	α-helix	trans	-58.9	-33.2	172.4	-82.8	-179.6	177.5	-170.4	0	112.8	V68 A70 F74 Q75 E76	V68-K72 WeakPolarHBondContact O-CG 3.41Å; V68-K72 PolarHBondContact O-N 2.87Å; A70-K72 VanDerWaalsContact C-N 3.33Å; A70-K72 PolarHBondContact O-N 2.85Å; K72-F74 VanDerWaalsContact C-N 3.3Å; K72-F74 PolarHBondContact O-N 2.87Å; K72-Q75 WeakPolarHBondContact O-CB 3.3Å; K72-Q75 PolarHBondContact O-N 3.35Å; K72-E76 WeakPolarHBondContact O-CB 3.43Å; K72-E76 WeakPolarHBondContact O-CG 3.48Å; K72-E76 PolarHBondContact O-N 3.46Å
73	L	85.3	Confident	82.5	Confident	18 Å²	18	76.8 Å²	76.8	9%	0.094	40%	0.396	C	S	.	.	H	α-helix	trans	-62.9	-38.5	177.3	-63.1	171.1	0	0	0	111.7	A70 L71 N77 L115 L116	A70-L73 WeakPolarHBondContact O-CB 3.49Å; A70-L73 PolarHBondContact O-N 3.27Å; L71-L73 PolarHBondContact O-N 3.17Å; L73-N77 WeakPolarHBondContact O-CB 3.49Å; L73-N77 PolarHBondContact O-N 3.12Å; L73-N77 VanDerWaalsContact O-N 3.14Å; L73-N77 PolarHBondContact O-ND2 2.87Å; L73-L115 HydrophobicContact CD1-CB 4.28Å; L73-L115 HydrophobicContact CD2-CB 4.26Å; L73-L116 HydrophobicContact CD1-CD2 3.78Å; L73-L116 HydrophobicContact CD1-CG 4.2Å
74	F	86.8	Confident	82.7	Confident	1 Å²	1	74.3 Å²	74.3	0%	0.004	39%	0.386	C	S	.	.	H	α-helix	trans	-68.6	-39	175.7	-67.2	-96.7	0	0	0	111.5	I56 F58 A70 L71 K72 N77 H78 V79 L81 V100 I112 L116	I56-F74 HydrophobicContact CD1-CE1 3.65Å; I56-F74 HydrophobicContact CD1-CZ 3.89Å; F58-F74 HydrophobicContact CE1-CE2 4.17Å; F58-F74 HydrophobicContact CE1-CZ 4.26Å; A70-F74 WeakPolarHBondContact O-CD2 3.39Å; L71-F74 PolarHBondContact O-N 3.26Å; L71-F74 VanDerWaalsContact O-N 3.17Å; K72-F74 VanDerWaalsContact C-N 3.3Å; K72-F74 PolarHBondContact O-N 2.87Å; F74-N77 PolarHBondContact O-N 2.96Å; F74-H78 PolarHBondContact O-N 3.49Å; F74-V79 HydrophobicContact CD1-CB 4.31Å; F74-V79 HydrophobicContact CD1-CG1 3.83Å; F74-V79 PolarHBondContact O-N 2.74Å; F74-L81 HydrophobicContact CB-CD1 4.16Å; F74-L81 HydrophobicContact CB-CD2 3.87Å; F74-L81 HydrophobicContact CB-CG 4.23Å; F74-L81 HydrophobicContact CD1-CD2 3.49Å; F74-L81 VanDerWaalsContact CD1-CD2 3.49Å; F74-L81 HydrophobicContact CE1-CD2 4.09Å; F74-L81 HydrophobicContact CG-CD1 4.43Å; F74-L81 HydrophobicContact CG-CD2 3.76Å; F74-V100 HydrophobicContact CD1-CG1 4.47Å; F74-V100 HydrophobicContact CE1-CG1 3.94Å; F74-V100 HydrophobicContact CZ-CB 4.36Å; F74-V100 HydrophobicContact CZ-CG1 4.03Å; F74-V100 HydrophobicContact CZ-CG2 4.5Å; F74-I112 HydrophobicContact CD1-CD1 4.06Å; F74-I112 HydrophobicContact CD1-CG2 4.09Å; F74-I112 HydrophobicContact CE1-CG2 3.75Å; F74-I112 HydrophobicContact CE2-CG2 4.27Å; F74-I112 HydrophobicContact CZ-CG2 3.85Å; F74-L116 HydrophobicContact CE2-CD1 3.89Å; F74-L116 HydrophobicContact CE2-CD2 4.24Å; F74-L116 HydrophobicContact CZ-CD1 3.75Å
75	Q	83.9	Confident	83.1	Confident	147 Å²	147	70.1 Å²	70.1	69%	0.687	36%	0.356	S	S	*	.	H	α-helix	trans	-64.2	-45.1	176	-175.5	-178.9	-7.9	0	0	112.2	L71 K72 N77 H78	L71-Q75 PolarHBondContact O-N 3.23Å; K72-Q75 WeakPolarHBondContact O-CB 3.3Å; K72-Q75 PolarHBondContact O-N 3.35Å; Q75-N77 VanDerWaalsContact C-N 3.29Å; Q75-N77 PolarHBondContact O-N 3.21Å; Q75-H78 PolarHBondContact O-N 2.91Å
76	E	85.9	Confident	83.3	Confident	131 Å²	131	71.4 Å²	71.4	61%	0.612	36%	0.36	S	S	*	.	H	α-helix	trans	-66.7	-30.2	179.6	-73.2	170.5	-173.4	0	0	112.4	K72 H78	K72-E76 WeakPolarHBondContact O-CB 3.43Å; K72-E76 WeakPolarHBondContact O-CG 3.48Å; K72-E76 PolarHBondContact O-N 3.46Å; E76-H78 VanDerWaalsContact C-N 3.35Å
77	N	83.2	Confident	83.3	Confident	29 Å²	29	76.4 Å²	76.4	16%	0.155	37%	0.374	C	S	.	.	T	Hydrogen-bonded Turn	trans	-93.4	13	177.9	-71	-82.2	0	0	0	113.6	L73 F74 Q75 V79 I112 L115	L73-N77 WeakPolarHBondContact O-CB 3.49Å; L73-N77 PolarHBondContact O-N 3.12Å; L73-N77 VanDerWaalsContact O-N 3.14Å; L73-N77 PolarHBondContact O-ND2 2.87Å; F74-N77 PolarHBondContact O-N 2.96Å; Q75-N77 VanDerWaalsContact C-N 3.29Å; Q75-N77 PolarHBondContact O-N 3.21Å; N77-V79 PolarHBondContact O-N 3.15Å; N77-I112 HydrophobicContact CB-CD1 3.87Å; N77-I112 HydrophobicContact CB-CG1 3.78Å; N77-L115 WeakPolarHBondContact ND2-CD1 3.19Å
78	H	82.5	Confident	83	Confident	160 Å²	160	81.2 Å²	81.2	74%	0.741	39%	0.392	S	S	*	.	T	Hydrogen-bonded Turn	trans	54.4	36.6	178.7	-60.4	-68	0	0	0	114.5	F74 Q75 E76	F74-H78 PolarHBondContact O-N 3.49Å; Q75-H78 PolarHBondContact O-N 2.91Å; E76-H78 VanDerWaalsContact C-N 3.35Å
79	V	83.6	Confident	82.4	Confident	8 Å²	8	77.4 Å²	77.4	5%	0.048	37%	0.369	C	S	.	.	P	Polyproline II helix	trans	-97.9	122.8	176.6	166	0	0	0	0	110.7	F74 N77 L81 C102 S104 Q108 I112	F74-V79 HydrophobicContact CD1-CB 4.31Å; F74-V79 HydrophobicContact CD1-CG1 3.83Å; F74-V79 PolarHBondContact O-N 2.74Å; N77-V79 PolarHBondContact O-N 3.15Å; V79-L81 HydrophobicContact CG1-CD2 4.39Å; V79-C102 HydrophobicContact CG1-CB 3.43Å; V79-C102 VanDerWaalsContact CG1-CB 3.43Å; V79-S104 WeakPolarHBondContact CG1-OG 3.42Å; V79-S104 VanDerWaalsContact CG2-OG 3.27Å; V79-S104 WeakPolarHBondContact CG2-OG 3.38Å; V79-Q108 HydrophobicContact CG2-CB 4.37Å; V79-I112 HydrophobicContact CB-CD1 3.69Å; V79-I112 HydrophobicContact CG1-CD1 4.18Å; V79-I112 HydrophobicContact CG2-CD1 3.26Å
80	N	80.2	Confident	81.6	Confident	105 Å²	105	80.5 Å²	80.5	56%	0.561	38%	0.383	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-79	124.3	179.2	-74.9	-12	0	0	0	110	C102 D103	N80-C102 CarbonylContact O-C 3.58Å; N80-C102 WeakPolarHBondContact O-CA 3.18Å; N80-C102 VanDerWaalsContact O-CB 3.23Å; N80-C102 WeakPolarHBondContact O-CB 3.5Å; N80-D103 HydrophobicContact CB-CB 4.49Å; N80-D103 PolarHBondContact O-N 2.87Å
81	L	83.1	Confident	80.7	Confident	60 Å²	60	89.4 Å²	89.4	31%	0.314	42%	0.416	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89	125.3	174.8	-55.1	-176.2	0	0	0	109.1	L71 F74 V79 I84 V100 C102	L71-L81 HydrophobicContact CD2-CD1 3.8Å; F74-L81 HydrophobicContact CB-CD1 4.16Å; F74-L81 HydrophobicContact CB-CD2 3.87Å; F74-L81 HydrophobicContact CB-CG 4.23Å; F74-L81 HydrophobicContact CD1-CD2 3.49Å; F74-L81 VanDerWaalsContact CD1-CD2 3.49Å; F74-L81 HydrophobicContact CE1-CD2 4.09Å; F74-L81 HydrophobicContact CG-CD1 4.43Å; F74-L81 HydrophobicContact CG-CD2 3.76Å; V79-L81 HydrophobicContact CG1-CD2 4.39Å; L81-I84 HydrophobicContact CB-CD1 4.22Å; L81-I84 HydrophobicContact CB-CG1 4.32Å; L81-I84 HydrophobicContact CD1-CD1 3.56Å; L81-I84 HydrophobicContact CD1-CG1 4.21Å; L81-V100 HydrophobicContact CD1-CG1 4.49Å; L81-V100 HydrophobicContact CD2-CG1 3.34Å; L81-V100 HydrophobicContact CG-CG1 4.39Å; L81-C102 HydrophobicContact CD2-CB 3.83Å
82	I	81.7	Confident	79.8	Confident	82 Å²	82	94.2 Å²	94.2	42%	0.421	43%	0.431	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.2	-43.7	179.7	-52.7	171.6	0	0	0	109.4	R53 D101 D103	R53-I82 HydrophobicContact CG-CD1 4.09Å; I82-D101 HydrophobicContact CB-CB 4.33Å; I82-D101 PolarHBondContact N-O 2.79Å; I82-D103 VanDerWaalsContact CD1-OD1 3.24Å; I82-D103 WeakPolarHBondContact CD1-OD1 3.4Å
83	H	79.4	Confident	78.7	Confident	92 Å²	92	97.3 Å²	97.3	43%	0.426	45%	0.452	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.5	141.2	-178	-171.9	70	0	0	0	110.3	V100 D101	H83-V100 WeakPolarHBondContact O-CA 3.35Å; H83-D101 HydrophobicContact CB-CB 3.93Å; H83-D101 WeakPolarHBondContact CB-OD2 3.49Å; H83-D101 IonicContact CD2-OD2 2.84Å; H83-D101 IonicContact CG-OD2 2.78Å; H83-D101 PolarHBondContact N-O 3.42Å; H83-D101 PolarHBondContact O-N 3.11Å
84	I	83.1	Confident	77.8	Confident	71 Å²	71	100.9 Å²	100.9	36%	0.364	48%	0.479	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.6	121.3	175.6	-54.2	167.8	0	0	0	107.6	L71 L81 I98 F99 V100	L71-I84 HydrophobicContact CD1-CD1 4.04Å; L71-I84 HydrophobicContact CD2-CD1 3.85Å; L81-I84 HydrophobicContact CB-CD1 4.22Å; L81-I84 HydrophobicContact CB-CG1 4.32Å; L81-I84 HydrophobicContact CD1-CD1 3.56Å; L81-I84 HydrophobicContact CD1-CG1 4.21Å; I84-I98 HydrophobicContact CG2-CG2 4.07Å; I84-F99 CarbonylContact C-O 3.6Å; I84-F99 VanDerWaalsContact CA-O 3.29Å; I84-F99 WeakPolarHBondContact CA-O 3.32Å; I84-V100 HydrophobicContact CG2-CG2 4.43Å
85	E	82.9	Confident	77.4	Confident	66 Å²	66	101.5 Å²	101.5	31%	0.308	48%	0.482	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.5	139.3	174.7	-162	-175.6	167.1	0	0	110.1	R87 I98 F99	E85-R87 VanDerWaalsContact CD-NE 3.28Å; E85-R87 HydrophobicContact CG-CG 4.44Å; E85-R87 IonicContact OE1-CZ 3.43Å; E85-R87 IonicContact OE1-NE 2.6Å; E85-R87 PolarHBondContact OE1-NE 3.3Å; E85-R87 IonicContact OE1-NH2 3.85Å; E85-R87 PolarHBondContact OE1-NH2 3.4Å; E85-R87 IonicContact OE2-CZ 3.23Å; E85-R87 IonicContact OE2-NE 2.99Å; E85-R87 PolarHBondContact OE2-NE 2.9Å; E85-R87 IonicContact OE2-NH2 3.87Å; E85-R87 PolarHBondContact OE2-NH2 3.14Å; E85-I98 CarbonylContact O-C 3.35Å; E85-I98 WeakPolarHBondContact O-CA 3.36Å; E85-F99 HydrophobicContact CB-CB 4.15Å; E85-F99 PolarHBondContact N-O 3.27Å; E85-F99 PolarHBondContact O-N 3.31Å
86	S	82.2	Confident	77.1	Confident	63 Å²	63	97.4 Å²	97.4	44%	0.441	46%	0.462	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.6	126.5	174	173.4	0	0	0	0	109.7	I98	S86-I98 WeakPolarHBondContact OG-CD1 3.46Å
87	R	81.2	Confident	77	Confident	121 Å²	121	92.8 Å²	92.8	46%	0.457	44%	0.44	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.6	147.8	177.1	-62.3	-173.5	176.4	165.6	6.2	110.1	E85 S89 F96 E97 F99	E85-R87 VanDerWaalsContact CD-NE 3.28Å; E85-R87 HydrophobicContact CG-CG 4.44Å; E85-R87 IonicContact OE1-CZ 3.43Å; E85-R87 IonicContact OE1-NE 2.6Å; E85-R87 PolarHBondContact OE1-NE 3.3Å; E85-R87 IonicContact OE1-NH2 3.85Å; E85-R87 PolarHBondContact OE1-NH2 3.4Å; E85-R87 IonicContact OE2-CZ 3.23Å; E85-R87 IonicContact OE2-NE 2.99Å; E85-R87 PolarHBondContact OE2-NE 2.9Å; E85-R87 IonicContact OE2-NH2 3.87Å; E85-R87 PolarHBondContact OE2-NH2 3.14Å; R87-S89 PolarHBondContact O-N 2.92Å; R87-F96 CarbonylContact O-C 3.5Å; R87-F96 VanDerWaalsContact O-CA 3.3Å; R87-F96 WeakPolarHBondContact O-CA 3.36Å; R87-E97 PolarHBondContact N-O 3.35Å; R87-E97 PolarHBondContact O-N 2.91Å; R87-F99 HydrophobicContact CB-CE2 4.25Å; R87-F99 HydrophobicContact CG-CD2 4.43Å; R87-F99 HydrophobicContact CG-CE2 4.05Å
88	K	76	Confident	77	Confident	168 Å²	168	91.5 Å²	91.5	73%	0.73	43%	0.433	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-64.1	130.2	168.2	-78.9	-178.9	177	176.2	0	108.8	K90 F96	K88-K90 PolarHBondContact O-N 2.66Å; K88-F96 HydrophobicContact CG-CD1 4.24Å; K88-F96 HydrophobicContact CG-CE1 3.72Å; K88-F96 HydrophobicContact CG-CZ 4.36Å
89	S	71.3	Confident	77	Confident	7 Å²	7	85.9 Å²	85.9	5%	0.049	41%	0.407	C	S	.	.			trans	-63.8	136.3	178.9	-179	0	0	0	0	110.4	R87 R91 E95 E97	R87-S89 PolarHBondContact O-N 2.92Å; S89-R91 VanDerWaalsContact C-N 3.28Å; S89-R91 PolarHBondContact OG-N 3.34Å; S89-R91 VanDerWaalsContact OG-N 3.12Å; S89-E95 VanDerWaalsContact CB-O 3.29Å; S89-E95 WeakPolarHBondContact CB-O 3.29Å; S89-E95 PolarHBondContact N-O 3.26Å; S89-E97 WeakPolarHBondContact CB-OE1 3.46Å; S89-E97 PolarHBondContact OG-OE1 3.32Å
90	K	67.3	Low	77.1	Confident	206 Å²	206	85.5 Å²	85.5	90%	0.896	41%	0.405	S	S	*	.	S	Bend	trans	-78	-16.1	171.9	-64.6	-174.9	-178.9	178.6	0	112.4	K88	K88-K90 PolarHBondContact O-N 2.66Å
91	R	65.5	Low	77.1	Confident	191 Å²	191	83 Å²	83	72%	0.721	39%	0.391	S	S	*	.	S	Bend	trans	-89	-35	-176.1	-59.3	-176.3	-175.9	-172.2	5.1	112.1	S89	S89-R91 VanDerWaalsContact C-N 3.28Å; S89-R91 PolarHBondContact OG-N 3.34Å; S89-R91 VanDerWaalsContact OG-N 3.12Å
92	R	66.8	Low	77.1	Confident	145 Å²	145	80.1 Å²	80.1	55%	0.547	38%	0.376	S	S	.	.			trans	-144.3	127.1	-178.8	-68.9	178.5	179.1	172.3	2.8	111.8	S94 E95	R92-S94 PolarHBondContact O-N 2.63Å; R92-S94 VanDerWaalsContact O-N 3.09Å; R92-E95 HydrophobicContact CB-CB 4.35Å; R92-E95 HydrophobicContact CB-CG 4.26Å; R92-E95 WeakPolarHBondContact CD-OE1 3.05Å; R92-E95 IonicContact CZ-OE1 3.93Å; R92-E95 IonicContact NH1-OE1 2.95Å; R92-E95 PolarHBondContact NH1-OE1 3.37Å; R92-E95 IonicContact NH1-OE2 3.99Å; R92-E95 PolarHBondContact O-N 2.76Å
93	N	61.8	Low	76.9	Confident	173 Å²	173	78.9 Å²	78.9	93%	0.925	37%	0.37	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.2	-16.1	-177.4	-84.4	-3.9	0	0	0	115.5
94	S	64.6	Low	76.7	Confident	92 Å²	92	74.8 Å²	74.8	64%	0.643	35%	0.352	S	S	*	.	T	Hydrogen-bonded Turn	trans	-105.6	9.3	-176.5	-49.9	0	0	0	0	113.8	N62 R92	N62-S94 PolarHBondContact N-O 2.93Å; N62-S94 VanDerWaalsContact N-O 3.12Å; R92-S94 PolarHBondContact O-N 2.63Å; R92-S94 VanDerWaalsContact O-N 3.09Å
95	E	78.6	Confident	76.4	Confident	15 Å²	15	73 Å²	73	7%	0.07	34%	0.343	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.1	149.5	-177.4	-64.7	179.3	-175.6	0	0	111.5	L60 K61 S89 R92 N121	L60-E95 CarbonylContact O-C 3.54Å; L60-E95 WeakPolarHBondContact O-CA 3.32Å; K61-E95 HydrophobicContact CG-CG 4.32Å; S89-E95 VanDerWaalsContact CB-O 3.29Å; S89-E95 WeakPolarHBondContact CB-O 3.29Å; S89-E95 PolarHBondContact N-O 3.26Å; R92-E95 HydrophobicContact CB-CB 4.35Å; R92-E95 HydrophobicContact CB-CG 4.26Å; R92-E95 WeakPolarHBondContact CD-OE1 3.05Å; R92-E95 IonicContact CZ-OE1 3.93Å; R92-E95 IonicContact NH1-OE1 2.95Å; R92-E95 PolarHBondContact NH1-OE1 3.37Å; R92-E95 IonicContact NH1-OE2 3.99Å; R92-E95 PolarHBondContact O-N 2.76Å; E95-N121 PolarHBondContact OE1-ND2 3.22Å
96	F	78.1	Confident	75.7	Confident	60 Å²	60	77.2 Å²	77.2	26%	0.263	36%	0.363	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.1	138.8	171.4	-72.2	-90	0	0	0	109.6	S59 L60 N62 R87 K88 I98	S59-F96 CarbonylContact C-O 3.49Å; S59-F96 VanDerWaalsContact CA-O 3.3Å; S59-F96 WeakPolarHBondContact CA-O 3.42Å; L60-F96 PolarHBondContact N-O 3.39Å; L60-F96 PolarHBondContact O-N 3.19Å; N62-F96 HydrophobicContact CB-CD2 4.12Å; N62-F96 HydrophobicContact CB-CE2 3.82Å; R87-F96 CarbonylContact O-C 3.5Å; R87-F96 VanDerWaalsContact O-CA 3.3Å; R87-F96 WeakPolarHBondContact O-CA 3.36Å; K88-F96 HydrophobicContact CG-CD1 4.24Å; K88-F96 HydrophobicContact CG-CE1 3.72Å; K88-F96 HydrophobicContact CG-CZ 4.36Å; F96-I98 HydrophobicContact CB-CD1 4.19Å
97	E	83.8	Confident	75.3	Confident	34 Å²	34	82 Å²	82	16%	0.159	38%	0.378	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.6	122.1	169	-77.9	162.7	-158.1	0	0	108.2	R87 S89 F99	R87-E97 PolarHBondContact N-O 3.35Å; R87-E97 PolarHBondContact O-N 2.91Å; S89-E97 WeakPolarHBondContact CB-OE1 3.46Å; S89-E97 PolarHBondContact OG-OE1 3.32Å; E97-F99 HydrophobicContact CB-CE2 4.02Å
98	I	83.4	Confident	75	Confident	3 Å²	3	79.4 Å²	79.4	2%	0.015	37%	0.371	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.3	126.7	178.7	-49	-58.7	0	0	0	108.2	I57 F58 L60 L67 I84 E85 S86 F96 V100	I57-I98 WeakPolarHBondContact CA-O 3.25Å; F58-I98 HydrophobicContact CD2-CB 4.29Å; F58-I98 HydrophobicContact CD2-CG1 4.44Å; F58-I98 HydrophobicContact CE1-CB 4.24Å; F58-I98 HydrophobicContact CE1-CG2 4.24Å; F58-I98 HydrophobicContact CE2-CB 3.89Å; F58-I98 HydrophobicContact CE2-CG1 3.96Å; F58-I98 HydrophobicContact CE2-CG2 4.34Å; F58-I98 HydrophobicContact CZ-CB 3.86Å; F58-I98 HydrophobicContact CZ-CG1 4.34Å; F58-I98 HydrophobicContact CZ-CG2 3.86Å; F58-I98 PolarHBondContact N-O 3.36Å; F58-I98 PolarHBondContact O-N 2.99Å; L60-I98 HydrophobicContact CD1-CG1 3.94Å; L60-I98 HydrophobicContact CG-CG1 4.31Å; L67-I98 HydrophobicContact CD1-CD1 3.99Å; L67-I98 HydrophobicContact CD1-CG1 4Å; L67-I98 HydrophobicContact CD1-CG2 4.05Å; I84-I98 HydrophobicContact CG2-CG2 4.07Å; E85-I98 CarbonylContact O-C 3.35Å; E85-I98 WeakPolarHBondContact O-CA 3.36Å; S86-I98 WeakPolarHBondContact OG-CD1 3.46Å; F96-I98 HydrophobicContact CB-CD1 4.19Å; I98-V100 HydrophobicContact CG2-CG2 3.76Å
99	F	82.9	Confident	75.1	Confident	42 Å²	42	72.1 Å²	72.1	18%	0.184	34%	0.34	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.8	124.4	174.4	-60.6	-101.9	0	0	0	107.3	I57 I84 E85 R87 E97	I57-F99 HydrophobicContact CD1-CD1 3.8Å; I57-F99 HydrophobicContact CD1-CE1 3.61Å; I57-F99 HydrophobicContact CG1-CD1 3.7Å; I57-F99 HydrophobicContact CG1-CE1 3.94Å; I57-F99 HydrophobicContact CG2-CD1 4.34Å; I57-F99 HydrophobicContact CG2-CE1 4.11Å; I57-F99 HydrophobicContact CG2-CZ 4.31Å; I84-F99 CarbonylContact C-O 3.6Å; I84-F99 VanDerWaalsContact CA-O 3.29Å; I84-F99 WeakPolarHBondContact CA-O 3.32Å; E85-F99 HydrophobicContact CB-CB 4.15Å; E85-F99 PolarHBondContact N-O 3.27Å; E85-F99 PolarHBondContact O-N 3.31Å; R87-F99 HydrophobicContact CB-CE2 4.25Å; R87-F99 HydrophobicContact CG-CD2 4.43Å; R87-F99 HydrophobicContact CG-CE2 4.05Å; E97-F99 HydrophobicContact CB-CE2 4.02Å
100	V	84.8	Confident	75.4	Confident	0 Å²	0	76.7 Å²	76.7	0%	0	36%	0.364	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.9	112.3	-178.5	-177.4	0	0	0	0	109.1	T55 I56 F58 F74 L81 H83 I84 I98	T55-V100 CarbonylContact C-O 3.55Å; T55-V100 WeakPolarHBondContact CA-O 3.46Å; I56-V100 PolarHBondContact N-O 3.42Å; I56-V100 PolarHBondContact O-N 3.02Å; F58-V100 HydrophobicContact CE1-CG2 3.66Å; F58-V100 HydrophobicContact CZ-CG2 4.2Å; F74-V100 HydrophobicContact CD1-CG1 4.47Å; F74-V100 HydrophobicContact CE1-CG1 3.94Å; F74-V100 HydrophobicContact CZ-CB 4.36Å; F74-V100 HydrophobicContact CZ-CG1 4.03Å; F74-V100 HydrophobicContact CZ-CG2 4.5Å; L81-V100 HydrophobicContact CD1-CG1 4.49Å; L81-V100 HydrophobicContact CD2-CG1 3.34Å; L81-V100 HydrophobicContact CG-CG1 4.39Å; H83-V100 WeakPolarHBondContact O-CA 3.35Å; I84-V100 HydrophobicContact CG2-CG2 4.43Å; I98-V100 HydrophobicContact CG2-CG2 3.76Å
101	D	81.3	Confident	76	Confident	51 Å²	51	72.1 Å²	72.1	27%	0.273	35%	0.346	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.4	126.1	168.7	-61.6	-32.2	0	0	0	108.7	A54 T55 I82 H83	A54-D101 WeakPolarHBondContact O-CA 3.24Å; T55-D101 WeakPolarHBondContact CB-OD1 3.4Å; T55-D101 VanDerWaalsContact CG2-OD1 3.23Å; T55-D101 WeakPolarHBondContact CG2-OD1 3.48Å; T55-D101 PolarHBondContact OG1-OD1 3.16Å; I82-D101 HydrophobicContact CB-CB 4.33Å; I82-D101 PolarHBondContact N-O 2.79Å; H83-D101 HydrophobicContact CB-CB 3.93Å; H83-D101 WeakPolarHBondContact CB-OD2 3.49Å; H83-D101 IonicContact CD2-OD2 2.84Å; H83-D101 IonicContact CG-OD2 2.78Å; H83-D101 PolarHBondContact N-O 3.42Å; H83-D101 PolarHBondContact O-N 3.11Å
102	C	81.6	Confident	76.9	Confident	0 Å²	0	63 Å²	63	0%	0	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.7	150.5	-178.8	65.6	0	0	0	0	113.3	R53 A54 V79 N80 L81 S104	R53-C102 WeakPolarHBondContact CA-O 3.43Å; A54-C102 PolarHBondContact N-O 2.86Å; A54-C102 PolarHBondContact O-N 3.36Å; V79-C102 HydrophobicContact CG1-CB 3.43Å; V79-C102 VanDerWaalsContact CG1-CB 3.43Å; N80-C102 CarbonylContact O-C 3.58Å; N80-C102 WeakPolarHBondContact O-CA 3.18Å; N80-C102 VanDerWaalsContact O-CB 3.23Å; N80-C102 WeakPolarHBondContact O-CB 3.5Å; L81-C102 HydrophobicContact CD2-CB 3.83Å; C102-S104 PolarHBondContact SG-OG 3.47Å
103	D	79.4	Confident	77.4	Confident	57 Å²	57	56.8 Å²	56.8	31%	0.305	29%	0.289	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.6	112.9	168.8	-73.7	-36.6	0	0	0	107.9	R53 N80 I82	R53-D103 WeakPolarHBondContact CG-OD1 3.35Å; N80-D103 HydrophobicContact CB-CB 4.49Å; N80-D103 PolarHBondContact O-N 2.87Å; I82-D103 VanDerWaalsContact CD1-OD1 3.24Å; I82-D103 WeakPolarHBondContact CD1-OD1 3.4Å
104	S	74	Confident	78.3	Confident	6 Å²	6	53.9 Å²	53.9	4%	0.042	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-152.8	152.1	-176	-62.4	0	0	0	0	112	G52 V79 C102	G52-S104 CarbonylContact C-O 3.56Å; G52-S104 PolarHBondContact N-O 3.05Å; G52-S104 PolarHBondContact O-N 2.83Å; V79-S104 WeakPolarHBondContact CG1-OG 3.42Å; V79-S104 VanDerWaalsContact CG2-OG 3.27Å; V79-S104 WeakPolarHBondContact CG2-OG 3.38Å; C102-S104 PolarHBondContact SG-OG 3.47Å
105	N	76.1	Confident	79.1	Confident	33 Å²	33	51.7 Å²	51.7	18%	0.176	25%	0.25	C	C	.	.			trans	-88.8	164.5	165.7	65	36.2	0	0	0	110.6	E107 Q108 L109	N105-E107 VanDerWaalsContact C-N 3.26Å; N105-E107 PolarHBondContact O-N 3.25Å; N105-E107 PolarHBondContact OD1-N 3.24Å; N105-Q108 PolarHBondContact ND2-OE1 2.97Å; N105-Q108 PolarHBondContact O-N 2.77Å; N105-Q108 VanDerWaalsContact OD1-CB 3.3Å; N105-Q108 WeakPolarHBondContact OD1-CB 3.34Å; N105-Q108 WeakPolarHBondContact OD1-CG 3.28Å; N105-Q108 PolarHBondContact OD1-N 3.02Å; N105-Q108 PolarHBondContact OD1-OE1 3.13Å; N105-L109 WeakPolarHBondContact O-CB 3.5Å; N105-L109 PolarHBondContact O-N 2.63Å
106	H	69.9	Low	79.2	Confident	155 Å²	155	51 Å²	51	72%	0.718	25%	0.247	S	C	*	.	H	α-helix	trans	-58.4	-32.5	-176.5	-89.3	-72.7	0	0	0	114.2	N110	H106-N110 PolarHBondContact O-N 3.04Å; H106-N110 PolarHBondContact O-ND2 3.15Å
107	E	73.1	Confident	79.2	Confident	164 Å²	164	56.3 Å²	56.3	77%	0.766	27%	0.265	S	S	*	.	H	α-helix	trans	-72.7	-48.2	-179	-67.2	-179.1	174.2	0	0	111.6	N105 L109 N110 E111	N105-E107 VanDerWaalsContact C-N 3.26Å; N105-E107 PolarHBondContact O-N 3.25Å; N105-E107 PolarHBondContact OD1-N 3.24Å; E107-L109 VanDerWaalsContact C-N 3.28Å; E107-L109 PolarHBondContact O-N 2.92Å; E107-N110 PolarHBondContact O-N 2.92Å; E107-E111 PolarHBondContact O-N 2.8Å
108	Q	74.9	Confident	78.8	Confident	66 Å²	66	61.2 Å²	61.2	31%	0.308	29%	0.286	S	S	.	.	H	α-helix	trans	-62	-38.2	176.1	-71.5	174.1	-38.6	0	0	111.8	V79 N105 E111 I112	V79-Q108 HydrophobicContact CG2-CB 4.37Å; N105-Q108 PolarHBondContact ND2-OE1 2.97Å; N105-Q108 PolarHBondContact O-N 2.77Å; N105-Q108 VanDerWaalsContact OD1-CB 3.3Å; N105-Q108 WeakPolarHBondContact OD1-CB 3.34Å; N105-Q108 WeakPolarHBondContact OD1-CG 3.28Å; N105-Q108 PolarHBondContact OD1-N 3.02Å; N105-Q108 PolarHBondContact OD1-OE1 3.13Å; Q108-E111 PolarHBondContact O-N 2.81Å; Q108-I112 WeakPolarHBondContact O-CG1 3.44Å; Q108-I112 PolarHBondContact O-N 3.01Å; Q108-I112 VanDerWaalsContact O-N 3.08Å
109	L	77.7	Confident	78.2	Confident	15 Å²	15	66.9 Å²	66.9	8%	0.079	31%	0.312	C	S	.	.	H	α-helix	trans	-63.3	-45.9	178.3	-169.4	69.8	0	0	0	111.3	A54 I56 N105 E107 E111 I112 I113 M125	A54-L109 HydrophobicContact CB-CD1 3.76Å; A54-L109 HydrophobicContact CB-CD2 3.77Å; A54-L109 HydrophobicContact CB-CG 4.42Å; I56-L109 HydrophobicContact CD1-CD1 3.44Å; I56-L109 VanDerWaalsContact CD1-CD1 3.44Å; I56-L109 HydrophobicContact CG1-CD1 3.85Å; N105-L109 WeakPolarHBondContact O-CB 3.5Å; N105-L109 PolarHBondContact O-N 2.63Å; E107-L109 VanDerWaalsContact C-N 3.28Å; E107-L109 PolarHBondContact O-N 2.92Å; L109-E111 VanDerWaalsContact C-N 3.32Å; L109-E111 PolarHBondContact O-N 3.4Å; L109-I112 PolarHBondContact O-N 3.18Å; L109-I113 HydrophobicContact CG-CD1 4.37Å; L109-I113 WeakPolarHBondContact O-CD1 3.44Å; L109-I113 WeakPolarHBondContact O-CG1 3.45Å; L109-I113 PolarHBondContact O-N 3.44Å; L109-M125 HydrophobicContact CD1-CE 3.93Å; L109-M125 HydrophobicContact CD2-CE 3.88Å; L109-M125 HydrophobicContact CD2-SD 4.25Å; L109-M125 HydrophobicContact CG-CE 3.8Å
110	N	77.1	Confident	77.7	Confident	102 Å²	102	65.6 Å²	65.6	55%	0.545	31%	0.307	S	S	.	.	H	α-helix	trans	-62.5	-37.8	177.8	-80.9	-30.8	0	0	0	112.8	H106 E107 H114	H106-N110 PolarHBondContact O-N 3.04Å; H106-N110 PolarHBondContact O-ND2 3.15Å; E107-N110 PolarHBondContact O-N 2.92Å; N110-H114 PolarHBondContact O-N 3.11Å; N110-H114 VanDerWaalsContact O-N 3.12Å
111	E	81.6	Confident	76.5	Confident	111 Å²	111	69.3 Å²	69.3	52%	0.519	33%	0.327	S	S	.	.	H	α-helix	trans	-64.3	-46.2	176	-172.4	167.6	-162.2	0	0	111.7	E107 Q108 L109 I113 H114 L115	E107-E111 PolarHBondContact O-N 2.8Å; Q108-E111 PolarHBondContact O-N 2.81Å; L109-E111 VanDerWaalsContact C-N 3.32Å; L109-E111 PolarHBondContact O-N 3.4Å; E111-I113 PolarHBondContact O-N 3.32Å; E111-H114 WeakPolarHBondContact O-CB 3.37Å; E111-H114 PolarHBondContact O-N 2.9Å; E111-L115 HydrophobicContact CG-CD1 4.45Å; E111-L115 WeakPolarHBondContact O-CG 3.45Å; E111-L115 PolarHBondContact O-N 3.49Å
112	I	82.9	Confident	75.5	Confident	0 Å²	0	69.6 Å²	69.6	0%	0	33%	0.331	C	S	.	.	H	α-helix	trans	-63.5	-40.4	178.3	-71.1	170.5	0	0	0	111.7	I56 F74 N77 V79 Q108 L109 H114 L115 L116	I56-I112 HydrophobicContact CD1-CG2 4.2Å; F74-I112 HydrophobicContact CD1-CD1 4.06Å; F74-I112 HydrophobicContact CD1-CG2 4.09Å; F74-I112 HydrophobicContact CE1-CG2 3.75Å; F74-I112 HydrophobicContact CE2-CG2 4.27Å; F74-I112 HydrophobicContact CZ-CG2 3.85Å; N77-I112 HydrophobicContact CB-CD1 3.87Å; N77-I112 HydrophobicContact CB-CG1 3.78Å; V79-I112 HydrophobicContact CB-CD1 3.69Å; V79-I112 HydrophobicContact CG1-CD1 4.18Å; V79-I112 HydrophobicContact CG2-CD1 3.26Å; Q108-I112 WeakPolarHBondContact O-CG1 3.44Å; Q108-I112 PolarHBondContact O-N 3.01Å; Q108-I112 VanDerWaalsContact O-N 3.08Å; L109-I112 PolarHBondContact O-N 3.18Å; I112-H114 VanDerWaalsContact C-N 3.32Å; I112-H114 PolarHBondContact O-N 3.28Å; I112-L115 PolarHBondContact O-N 2.92Å; I112-L116 HydrophobicContact CG2-CD1 3.64Å; I112-L116 HydrophobicContact CG2-CG 4.15Å; I112-L116 WeakPolarHBondContact O-CB 3.42Å; I112-L116 WeakPolarHBondContact O-CG 3.47Å; I112-L116 PolarHBondContact O-N 3.39Å
113	I	77.9	Confident	74.4	Confident	14 Å²	14	70.8 Å²	70.8	7%	0.072	34%	0.338	C	S	.	.	H	α-helix	trans	-59.7	-45.7	174.8	-66.1	161.7	0	0	0	110.7	L109 E111 L115 L116 R117 V123 M125	L109-I113 HydrophobicContact CG-CD1 4.37Å; L109-I113 WeakPolarHBondContact O-CD1 3.44Å; L109-I113 WeakPolarHBondContact O-CG1 3.45Å; L109-I113 PolarHBondContact O-N 3.44Å; E111-I113 PolarHBondContact O-N 3.32Å; I113-L115 PolarHBondContact O-N 3.46Å; I113-L116 PolarHBondContact O-N 2.92Å; I113-R117 HydrophobicContact CG2-CG 4.3Å; I113-R117 WeakPolarHBondContact O-CB 3.45Å; I113-R117 WeakPolarHBondContact O-CG 3.49Å; I113-R117 PolarHBondContact O-N 3.27Å; I113-V123 HydrophobicContact CG2-CG1 4.26Å; I113-M125 HydrophobicContact CD1-CE 3.19Å; I113-M125 HydrophobicContact CD1-CG 4.04Å; I113-M125 HydrophobicContact CD1-SD 3.3Å; I113-M125 WeakPolarHBondContact CD1-SD 3.36Å; I113-M125 HydrophobicContact CG1-CE 3.5Å; I113-M125 HydrophobicContact CG1-SD 4.2Å
114	H	80.9	Confident	73.2	Confident	112 Å²	112	72.1 Å²	72.1	52%	0.519	35%	0.345	S	S	.	.	H	α-helix	trans	-61.3	-38	-179.7	-173.9	78.6	0	0	0	111.4	N110 E111 I112 K118	N110-H114 PolarHBondContact O-N 3.11Å; N110-H114 VanDerWaalsContact O-N 3.12Å; E111-H114 WeakPolarHBondContact O-CB 3.37Å; E111-H114 PolarHBondContact O-N 2.9Å; I112-H114 VanDerWaalsContact C-N 3.32Å; I112-H114 PolarHBondContact O-N 3.28Å; H114-K118 WeakPolarHBondContact NE2-CE 3.31Å; H114-K118 PolarHBondContact NE2-NZ 3.43Å
115	L	82	Confident	71.9	Confident	45 Å²	45	73.7 Å²	73.7	24%	0.236	35%	0.352	C	S	.	.	H	α-helix	trans	-72	-40	176.1	-66.2	173	0	0	0	112.8	L73 N77 E111 I112 I113 K118 H119	L73-L115 HydrophobicContact CD1-CB 4.28Å; L73-L115 HydrophobicContact CD2-CB 4.26Å; N77-L115 WeakPolarHBondContact ND2-CD1 3.19Å; E111-L115 HydrophobicContact CG-CD1 4.45Å; E111-L115 WeakPolarHBondContact O-CG 3.45Å; E111-L115 PolarHBondContact O-N 3.49Å; I112-L115 PolarHBondContact O-N 2.92Å; I113-L115 PolarHBondContact O-N 3.46Å; L115-K118 PolarHBondContact O-N 2.97Å; L115-H119 PolarHBondContact O-ND1 3.28Å
116	L	80.7	Confident	70.3	Confident	0 Å²	0	79.7 Å²	79.7	0%	0	39%	0.385	C	S	.	.	H	α-helix	trans	-66.1	-41.9	177.5	-77.1	169.7	0	0	0	111.6	I56 F58 A70 L73 F74 I112 I113 K118 H119 V120 V123	I56-L116 HydrophobicContact CG2-CD1 4.25Å; F58-L116 HydrophobicContact CD1-CD1 4.18Å; F58-L116 HydrophobicContact CE1-CD1 4.35Å; F58-L116 HydrophobicContact CE1-CD2 4.45Å; F58-L116 HydrophobicContact CZ-CD2 4.41Å; A70-L116 HydrophobicContact CB-CD2 4.22Å; L73-L116 HydrophobicContact CD1-CD2 3.78Å; L73-L116 HydrophobicContact CD1-CG 4.2Å; F74-L116 HydrophobicContact CE2-CD1 3.89Å; F74-L116 HydrophobicContact CE2-CD2 4.24Å; F74-L116 HydrophobicContact CZ-CD1 3.75Å; I112-L116 HydrophobicContact CG2-CD1 3.64Å; I112-L116 HydrophobicContact CG2-CG 4.15Å; I112-L116 WeakPolarHBondContact O-CB 3.42Å; I112-L116 WeakPolarHBondContact O-CG 3.47Å; I112-L116 PolarHBondContact O-N 3.39Å; I113-L116 PolarHBondContact O-N 2.92Å; L116-K118 PolarHBondContact O-N 3.31Å; L116-H119 PolarHBondContact O-N 2.89Å; L116-V120 HydrophobicContact CB-CG2 4.36Å; L116-V120 HydrophobicContact CD2-CG1 4.26Å; L116-V120 VanDerWaalsContact O-CG2 3.24Å; L116-V120 WeakPolarHBondContact O-CG2 3.48Å; L116-V120 PolarHBondContact O-N 3.46Å; L116-V123 HydrophobicContact CB-CG2 4.22Å
117	R	78	Confident	68.8	Low	172 Å²	172	75.9 Å²	75.9	65%	0.649	37%	0.373	S	S	*	.	H	α-helix	trans	-55.9	-24.5	176.6	-79.1	-177.7	179.1	-169.4	1.4	113.7	I113 H119 V123	I113-R117 HydrophobicContact CG2-CG 4.3Å; I113-R117 WeakPolarHBondContact O-CB 3.45Å; I113-R117 WeakPolarHBondContact O-CG 3.49Å; I113-R117 PolarHBondContact O-N 3.27Å; R117-H119 VanDerWaalsContact C-N 3.33Å; R117-V123 HydrophobicContact CG-CB 4.33Å; R117-V123 HydrophobicContact CG-CG2 3.92Å
118	K	75.4	Confident	67.1	Low	137 Å²	137	72.4 Å²	72.4	60%	0.596	37%	0.365	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76.5	-19.4	175.5	-66.1	177.5	-176.6	173.2	0	113.4	H114 L115 L116	H114-K118 WeakPolarHBondContact NE2-CE 3.31Å; H114-K118 PolarHBondContact NE2-NZ 3.43Å; L115-K118 PolarHBondContact O-N 2.97Å; L116-K118 PolarHBondContact O-N 3.31Å
119	H	68.9	Low	65.2	Low	123 Å²	123	75.9 Å²	75.9	57%	0.569	39%	0.386	S	S	*	.	T	Hydrogen-bonded Turn	trans	-120.4	-12.6	-170.5	-63.9	90.9	0	0	0	114	L115 L116 R117	L115-H119 PolarHBondContact O-ND1 3.28Å; L116-H119 PolarHBondContact O-N 2.89Å; R117-H119 VanDerWaalsContact C-N 3.33Å
120	V	73.9	Confident	62.9	Low	14 Å²	14	80.7 Å²	80.7	9%	0.085	41%	0.412	C	S	.	.			trans	-130.8	150.6	-172.5	-43.4	0	0	0	0	111.4	F58 L60 L116 V123	F58-V120 HydrophobicContact CB-CB 4.48Å; F58-V120 HydrophobicContact CB-CG2 3.87Å; F58-V120 HydrophobicContact CD2-CB 4.31Å; F58-V120 HydrophobicContact CD2-CG1 3.85Å; F58-V120 HydrophobicContact CD2-CG2 4.48Å; F58-V120 HydrophobicContact CE2-CG1 4.41Å; F58-V120 HydrophobicContact CG-CG2 4.49Å; L60-V120 HydrophobicContact CD2-CB 4.16Å; L60-V120 HydrophobicContact CD2-CG1 3.44Å; L60-V120 VanDerWaalsContact CD2-CG1 3.44Å; L60-V120 HydrophobicContact CG-CG1 4.47Å; L116-V120 HydrophobicContact CB-CG2 4.36Å; L116-V120 HydrophobicContact CD2-CG1 4.26Å; L116-V120 VanDerWaalsContact O-CG2 3.24Å; L116-V120 WeakPolarHBondContact O-CG2 3.48Å; L116-V120 PolarHBondContact O-N 3.46Å; V120-V123 HydrophobicContact CG2-CG2 3.23Å
121	N	60	Low	60.6	Low	78 Å²	78	81 Å²	81	42%	0.417	42%	0.421	S	S	.	.	S	Bend	trans	-79.4	-32.7	-168.7	-77.1	-16.6	0	0	0	113.7	S59 K61 E95	S59-N121 PolarHBondContact O-N 3.18Å; K61-N121 WeakPolarHBondContact CE-ND2 3.46Å; E95-N121 PolarHBondContact OE1-ND2 3.22Å
122	V	59.1	Low	58	Low	58 Å²	58	80.9 Å²	80.9	35%	0.352	43%	0.432	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.1	124.7	-178.3	-177.8	0	0	0	0	106.6	F58 S59	F58-V122 CarbonylContact C-O 3.51Å; F58-V122 WeakPolarHBondContact CA-O 3.39Å; F58-V122 WeakPolarHBondContact CB-O 3.37Å; S59-V122 PolarHBondContact N-O 3.22Å
123	V	58.5	Low	55.7	Low	24 Å²	24	89.3 Å²	89.3	15%	0.145	48%	0.476	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.3	108.1	167.4	-177.4	0	0	0	0	105.2	I56 F58 I113 L116 R117 V120	I56-V123 HydrophobicContact CG2-CG1 4.26Å; F58-V123 HydrophobicContact CB-CG2 4.18Å; I113-V123 HydrophobicContact CG2-CG1 4.26Å; L116-V123 HydrophobicContact CB-CG2 4.22Å; R117-V123 HydrophobicContact CG-CB 4.33Å; R117-V123 HydrophobicContact CG-CG2 3.92Å; V120-V123 HydrophobicContact CG2-CG2 3.23Å
124	D	54.9	Low	53.6	Low	85 Å²	85	97.1 Å²	97.1	46%	0.455	52%	0.517	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.2	128.2	169.2	-136	-1.7	0	0	0	106.9	I57	I57-D124 HydrophobicContact CB-CB 4.49Å; I57-D124 PolarHBondContact N-O 2.96Å; I57-D124 PolarHBondContact O-N 2.92Å
125	M	46.8	Very low	51.4	Low	40 Å²	40	95.9 Å²	95.9	20%	0.197	51%	0.512	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.1	152.7	157.2	-73	-130.4	136.2	0	0	105.6	I56 L109 I113 P127	I56-M125 HydrophobicContact CB-CE 4.43Å; I56-M125 HydrophobicContact CD1-CE 4.13Å; I56-M125 HydrophobicContact CG1-CE 3.79Å; I56-M125 HydrophobicContact CG2-CE 4.23Å; L109-M125 HydrophobicContact CD1-CE 3.93Å; L109-M125 HydrophobicContact CD2-CE 3.88Å; L109-M125 HydrophobicContact CD2-SD 4.25Å; L109-M125 HydrophobicContact CG-CE 3.8Å; I113-M125 HydrophobicContact CD1-CE 3.19Å; I113-M125 HydrophobicContact CD1-CG 4.04Å; I113-M125 HydrophobicContact CD1-SD 3.3Å; I113-M125 WeakPolarHBondContact CD1-SD 3.36Å; I113-M125 HydrophobicContact CG1-CE 3.5Å; I113-M125 HydrophobicContact CG1-SD 4.2Å; M125-P127 HydrophobicContact CB-CB 4.49Å; M125-P127 HydrophobicContact CB-CG 4.38Å; M125-P127 WeakPolarHBondContact O-CD 3.13Å
126	D	41.6	Very low	49	Very low	159 Å²	159	102.7 Å²	102.7	85%	0.85	54%	0.542	S	S	*	.			trans	-80.9	93.8	139.3	-94.2	-26.8	0	0	0	105.7
127	P	38.6	Very low	47.1	Very low	74 Å²	74	109.2 Å²	109.2	48%	0.481	58%	0.577	S	S	.	*			trans	-81.7	163.5	156.8	37.6	-32.6	0	0	0	108.8	M125 D129	M125-P127 HydrophobicContact CB-CB 4.49Å; M125-P127 HydrophobicContact CB-CG 4.38Å; M125-P127 WeakPolarHBondContact O-CD 3.13Å; P127-D129 PolarHBondContact O-N 3.07Å
128	P	38.3	Very low	45.6	Very low	92 Å²	92	103.6 Å²	103.6	60%	0.597	56%	0.559	S	S	*	*			trans	-63	109.1	172	-2.5	18.4	0	0	0	107.8	N130 Y139	P128-N130 PolarHBondContact O-N 3.5Å; P128-Y139 VanDerWaalsContact C-CD1 3.43Å; P128-Y139 HydrophobicContact CB-CD1 3Å; P128-Y139 HydrophobicContact CB-CD2 4.21Å; P128-Y139 HydrophobicContact CB-CE1 3.62Å; P128-Y139 HydrophobicContact CB-CG 3.37Å; P128-Y139 HydrophobicContact CG-CD1 4.48Å
129	D	33.4	Very low	44.2	Very low	139 Å²	139	101.1 Å²	101.1	74%	0.743	55%	0.546	S	S	*	.			trans	-64.3	87.7	-167.5	-146.6	10.7	0	0	0	115.4	P127 Y139	P127-D129 PolarHBondContact O-N 3.07Å; D129-Y139 VanDerWaalsContact C-CE1 3.41Å; D129-Y139 HydrophobicContact CB-CE1 4.47Å; D129-Y139 WeakPolarHBondContact O-CE1 3.38Å; D129-Y139 PolarHBondContact O-OH 2.91Å
130	N	30	Very low	44.2	Very low	116 Å²	116	103.1 Å²	103.1	62%	0.62	56%	0.561	S	S	*	*			trans	-97.2	92.4	178.7	-132.5	-3.2	0	0	0	112.5	P128 Y139	P128-N130 PolarHBondContact O-N 3.5Å; N130-Y139 WeakPolarHBondContact CA-OH 3.4Å; N130-Y139 WeakPolarHBondContact CB-OH 3.43Å; N130-Y139 PolarHBondContact N-OH 3.24Å; N130-Y139 VanDerWaalsContact N-OH 3.11Å; N130-Y139 PolarHBondContact OD1-OH 3.18Å
131	S	29.3	Very low	44.6	Very low	107 Å²	107	104 Å²	104	75%	0.748	57%	0.567	S	S	*	*			trans	-163.9	74.7	145.1	53.8	0	0	0	0	114
132	C	27.8	Very low	46	Very low	110 Å²	110	102.2 Å²	102.2	74%	0.743	56%	0.559	S	S	*	*	S	Bend	trans	-152.3	120.5	136.2	-103.8	0	0	0	0	107.1	L134	C132-L134 PolarHBondContact O-N 3.29Å
133	L	33.6	Very low	47.4	Very low	177 Å²	177	105.4 Å²	105.4	93%	0.927	57%	0.565	S	S	*	*	S	Bend	trans	-55.3	133.3	-172.3	-69.4	159.1	0	0	0	111.9
134	L	33.5	Very low	49.1	Very low	177 Å²	177	105.1 Å²	105.1	93%	0.927	56%	0.562	S	S	*	*	S	Bend	trans	93.5	53.2	-179.3	-54.6	171.6	0	0	0	117.1	C132	C132-L134 PolarHBondContact O-N 3.29Å
135	E	36.1	Very low	50.9	Low	87 Å²	87	101.1 Å²	101.1	41%	0.407	54%	0.541	S	S	.	.			trans	-147.2	68.3	165.3	-67.1	-168.3	172.9	0	0	112	D137 K448	E135-D137 VanDerWaalsContact C-N 3.26Å; E135-D137 PolarHBondContact O-N 3.44Å; E135-K448 IonicContact OE1-NZ 3.56Å; E135-K448 PolarHBondContact OE1-NZ 3.45Å
136	E	31.3	Very low	53	Low	187 Å²	187	104.9 Å²	104.9	87%	0.874	56%	0.556	S	S	*	*	T	Hydrogen-bonded Turn	trans	-77.9	-5.1	172.4	-82.1	-175.1	167.4	0	0	113.8
137	D	39.5	Very low	55.5	Low	138 Å²	138	103.4 Å²	103.4	74%	0.738	54%	0.542	S	S	*	.	T	Hydrogen-bonded Turn	trans	-109.1	6	-173	-70.7	-33.8	0	0	0	115.7	E135	E135-D137 VanDerWaalsContact C-N 3.26Å; E135-D137 PolarHBondContact O-N 3.44Å
138	M	46.9	Very low	58.2	Low	53 Å²	53	100.4 Å²	100.4	26%	0.261	52%	0.521	S	S	.	.			trans	-114.6	-2.5	-170.4	-69.9	-160.4	68.7	0	0	117.1	D140 F433 K448	M138-D140 VanDerWaalsContact C-N 3.32Å; M138-D140 PolarHBondContact O-N 3.49Å; M138-F433 HydrophobicContact CE-CD1 4.08Å; M138-F433 HydrophobicContact CE-CE1 3.89Å; M138-K448 HydrophobicContact SD-CD 3.9Å
139	Y	46.6	Very low	60.8	Low	85 Å²	85	98.4 Å²	98.4	33%	0.333	51%	0.51	S	S	.	.	T	Hydrogen-bonded Turn	trans	-69.1	-22.8	-175.6	-76.3	-58.5	0	0	0	116.2	P128 D129 N130	P128-Y139 VanDerWaalsContact C-CD1 3.43Å; P128-Y139 HydrophobicContact CB-CD1 3Å; P128-Y139 HydrophobicContact CB-CD2 4.21Å; P128-Y139 HydrophobicContact CB-CE1 3.62Å; P128-Y139 HydrophobicContact CB-CG 3.37Å; P128-Y139 HydrophobicContact CG-CD1 4.48Å; D129-Y139 VanDerWaalsContact C-CE1 3.41Å; D129-Y139 HydrophobicContact CB-CE1 4.47Å; D129-Y139 WeakPolarHBondContact O-CE1 3.38Å; D129-Y139 PolarHBondContact O-OH 2.91Å; N130-Y139 WeakPolarHBondContact CA-OH 3.4Å; N130-Y139 WeakPolarHBondContact CB-OH 3.43Å; N130-Y139 PolarHBondContact N-OH 3.24Å; N130-Y139 VanDerWaalsContact N-OH 3.11Å; N130-Y139 PolarHBondContact OD1-OH 3.18Å
140	D	69.2	Low	63.6	Low	165 Å²	165	93.1 Å²	93.1	88%	0.882	48%	0.481	S	S	*	.	T	Hydrogen-bonded Turn	trans	-98.6	7.5	-176.1	-90.9	-14.6	0	0	0	114	M138 P142	M138-D140 VanDerWaalsContact C-N 3.32Å; M138-D140 PolarHBondContact O-N 3.49Å; D140-P142 WeakPolarHBondContact O-CD 3.35Å
141	V	81.2	Confident	66.7	Low	33 Å²	33	87.7 Å²	87.7	20%	0.2	45%	0.452	C	S	.	.	P	Polyproline II helix	trans	-87	120.8	-176.3	-179.5	0	0	0	0	110.1	W143 F144 P432 F433	V141-W143 PolarHBondContact O-N 3.12Å; V141-F144 HydrophobicContact CG1-CE1 4.45Å; V141-P432 HydrophobicContact CG2-CG 3.46Å; V141-P432 VanDerWaalsContact CG2-CG 3.46Å; V141-F433 HydrophobicContact CB-CE1 4.32Å; V141-F433 HydrophobicContact CG1-CE1 3.61Å; V141-F433 HydrophobicContact CG1-CZ 3.52Å; V141-F433 HydrophobicContact CG2-CE1 3.94Å
142	P	88.9	Confident	69.6	Low	40 Å²	40	84.2 Å²	84.2	26%	0.26	43%	0.426	S	S	.	.	P	Polyproline II helix	trans	-57.8	136.8	175.3	-26.5	37.1	0	0	0	111.8	D140	D140-P142 WeakPolarHBondContact O-CD 3.35Å
143	W	89.7	Confident	72.4	Confident	125 Å²	125	84.8 Å²	84.8	47%	0.473	42%	0.416	S	S	.	.	P	Polyproline II helix	trans	-55.4	143.6	177	179.8	91.1	0	0	0	111.8	V141 P145 D150 K153	V141-W143 PolarHBondContact O-N 3.12Å; W143-P145 HydrophobicContact CH2-CB 4.09Å; W143-D150 HydrophobicContact CZ2-CB 4.49Å; W143-K153 HydrophobicContact CH2-CB 4.32Å; W143-K153 HydrophobicContact CH2-CD 4.31Å; W143-K153 HydrophobicContact CZ2-CD 4.01Å
144	F	93.6	Very high	74.7	Confident	18 Å²	18	76.4 Å²	76.4	8%	0.079	37%	0.371	C	S	.	.			trans	-145.5	151.8	172.3	63.1	-86.3	0	0	0	110.8	V141 K146 L334 F433 V435 V444 V446	V141-F144 HydrophobicContact CG1-CE1 4.45Å; F144-K146 HydrophobicContact CE2-CG 4.32Å; F144-L334 HydrophobicContact CB-CB 4.27Å; F144-L334 HydrophobicContact CB-CD2 4.06Å; F144-L334 HydrophobicContact CD2-CB 3.82Å; F144-L334 HydrophobicContact CD2-CD1 4.18Å; F144-L334 HydrophobicContact CD2-CD2 4.27Å; F144-L334 HydrophobicContact CD2-CG 4.31Å; F144-L334 HydrophobicContact CE2-CB 4.31Å; F144-L334 HydrophobicContact CG-CB 4Å; F144-L334 HydrophobicContact CG-CD2 4.5Å; F144-F433 AromaticContact CE1-CE2 3.98Å; F144-F433 HydrophobicContact CE1-CE2 3.98Å; F144-F433 AromaticContact CE1-CZ 3.58Å; F144-F433 HydrophobicContact CE1-CZ 3.58Å; F144-F433 AromaticContact CZ-CE2 3.97Å; F144-F433 HydrophobicContact CZ-CE2 3.97Å; F144-F433 AromaticContact CZ-CZ 3.98Å; F144-F433 HydrophobicContact CZ-CZ 3.98Å; F144-V435 HydrophobicContact CE2-CG1 4.44Å; F144-V435 HydrophobicContact CZ-CG1 4.42Å; F144-V444 HydrophobicContact CE2-CG1 4.21Å; F144-V446 HydrophobicContact CE2-CG2 4.25Å; F144-V446 HydrophobicContact CZ-CG2 3.85Å
145	P	93.3	Very high	76.8	Confident	2 Å²	2	68.2 Å²	68.2	1%	0.013	33%	0.329	C	S	.	.			trans	-63.2	135.2	177.4	24.4	-33	0	0	0	111	W143 D150 L151 A279 F283	W143-P145 HydrophobicContact CH2-CB 4.09Å; P145-D150 HydrophobicContact CB-CB 3.58Å; P145-L151 HydrophobicContact CB-CD2 4.27Å; P145-L151 HydrophobicContact CG-CD2 3.88Å; P145-A279 HydrophobicContact CG-CB 3.94Å; P145-F283 HydrophobicContact CB-CE2 4.09Å; P145-F283 HydrophobicContact CB-CZ 4.26Å; P145-F283 HydrophobicContact CG-CE2 3.8Å; P145-F283 HydrophobicContact CG-CZ 4.42Å; P145-F283 WeakPolarHBondContact O-CZ 3.43Å
146	K	90.8	Very high	78.7	Confident	118 Å²	118	66.5 Å²	66.5	51%	0.513	32%	0.323	S	S	.	.	S	Bend	trans	-101.9	-25.1	177.8	-66.5	-175.7	-178.3	178.4	0	112.1	F144 D150 S443 V444	F144-K146 HydrophobicContact CE2-CG 4.32Å; K146-D150 PolarHBondContact N-OD2 3.05Å; K146-D150 VanDerWaalsContact N-OD2 3.14Å; K146-S443 CarbonylContact O-C 3.58Å; K146-S443 VanDerWaalsContact O-CA 3.24Å; K146-S443 WeakPolarHBondContact O-CA 3.36Å; K146-S443 WeakPolarHBondContact O-CB 3.38Å; K146-V444 PolarHBondContact O-N 2.78Å
147	K	93.3	Very high	81	Confident	129 Å²	129	64.2 Å²	64.2	56%	0.561	31%	0.306	S	S	*	.	B	Isolated β-bridge	trans	-120	152.3	173.3	-63	-176.6	178.9	-176.5	0	110.2	S149 D150 F283	K147-S149 PolarHBondContact O-N 2.88Å; K147-S149 VanDerWaalsContact O-N 3.16Å; K147-D150 PolarHBondContact N-OD2 3.11Å; K147-D150 VanDerWaalsContact O-CB 3.26Å; K147-D150 WeakPolarHBondContact O-CB 3.31Å; K147-D150 PolarHBondContact O-N 3.2Å; K147-F283 VanDerWaalsContact C-CE1 3.44Å
148	I	95.3	Very high	82.7	Confident	10 Å²	10	59.7 Å²	59.7	5%	0.051	28%	0.284	C	S	.	.	G	3₁₀ helix	trans	-55.5	-33.6	177	-169.9	167.6	0	0	0	113	D150 L151 F283 V285 Q442	I148-D150 VanDerWaalsContact C-N 3.27Å; I148-D150 PolarHBondContact O-N 3.14Å; I148-L151 HydrophobicContact CG1-CD1 4.26Å; I148-L151 WeakPolarHBondContact O-CB 3.3Å; I148-L151 VanDerWaalsContact O-CG 3.29Å; I148-L151 WeakPolarHBondContact O-CG 3.27Å; I148-L151 PolarHBondContact O-N 3.05Å; I148-F283 HydrophobicContact CB-CB 4.49Å; I148-F283 HydrophobicContact CB-CD1 3.76Å; I148-F283 HydrophobicContact CB-CE1 4.46Å; I148-F283 HydrophobicContact CB-CG 4.38Å; I148-F283 HydrophobicContact CD1-CB 4.37Å; I148-F283 HydrophobicContact CG1-CB 4.12Å; I148-F283 HydrophobicContact CG1-CD1 4.31Å; I148-F283 HydrophobicContact CG1-CG 4.46Å; I148-V285 HydrophobicContact CD1-CG2 3.67Å; I148-V285 HydrophobicContact CG1-CG2 3.87Å; I148-Q442 HydrophobicContact CB-CB 4.13Å; I148-Q442 HydrophobicContact CG2-CB 3.67Å; I148-Q442 PolarHBondContact N-O 3.48Å
149	S	93.8	Very high	84	Confident	50 Å²	50	62.8 Å²	62.8	35%	0.35	30%	0.301	S	S	.	.	G	3₁₀ helix	trans	-70.1	-20.4	176.4	58.1	0	0	0	0	113.8	K147 L151 D152	K147-S149 PolarHBondContact O-N 2.88Å; K147-S149 VanDerWaalsContact O-N 3.16Å; S149-L151 PolarHBondContact O-N 3.03Å; S149-D152 WeakPolarHBondContact O-CB 3.47Å; S149-D152 PolarHBondContact O-N 3.03Å; S149-D152 VanDerWaalsContact O-N 3.16Å
150	D	92.8	Very high	85.3	Confident	28 Å²	28	62.9 Å²	62.9	15%	0.15	31%	0.305	C	S	.	.	G	3₁₀ helix	trans	-66.3	-15.8	175.2	-69.4	-44.8	0	0	0	112.3	W143 P145 K146 K147 I148 D152 K153	W143-D150 HydrophobicContact CZ2-CB 4.49Å; P145-D150 HydrophobicContact CB-CB 3.58Å; K146-D150 PolarHBondContact N-OD2 3.05Å; K146-D150 VanDerWaalsContact N-OD2 3.14Å; K147-D150 PolarHBondContact N-OD2 3.11Å; K147-D150 VanDerWaalsContact O-CB 3.26Å; K147-D150 WeakPolarHBondContact O-CB 3.31Å; K147-D150 PolarHBondContact O-N 3.2Å; I148-D150 VanDerWaalsContact C-N 3.27Å; I148-D150 PolarHBondContact O-N 3.14Å; D150-D152 PolarHBondContact O-N 2.86Å; D150-K153 HydrophobicContact CB-CD 4.43Å; D150-K153 VanDerWaalsContact O-CB 3.29Å; D150-K153 WeakPolarHBondContact O-CB 3.37Å; D150-K153 PolarHBondContact O-N 2.79Å; D150-K153 IonicContact OD1-NZ 3.73Å; D150-K153 PolarHBondContact OD1-NZ 3.3Å
151	L	93.4	Very high	85.4	Confident	2 Å²	2	56.5 Å²	56.5	1%	0.01	27%	0.269	C	S	.	.	G	3₁₀ helix	trans	-60.4	-22.1	173.1	-63.5	176.2	0	0	0	112.5	P145 I148 S149 K153 C154 A155 F283 V285	P145-L151 HydrophobicContact CB-CD2 4.27Å; P145-L151 HydrophobicContact CG-CD2 3.88Å; I148-L151 HydrophobicContact CG1-CD1 4.26Å; I148-L151 WeakPolarHBondContact O-CB 3.3Å; I148-L151 VanDerWaalsContact O-CG 3.29Å; I148-L151 WeakPolarHBondContact O-CG 3.27Å; I148-L151 PolarHBondContact O-N 3.05Å; S149-L151 PolarHBondContact O-N 3.03Å; L151-K153 PolarHBondContact O-N 3.24Å; L151-C154 PolarHBondContact O-N 2.71Å; L151-C154 PolarHBondContact O-SG 3.19Å; L151-C154 VanDerWaalsContact O-SG 3.36Å; L151-A155 VanDerWaalsContact O-CB 3.29Å; L151-A155 WeakPolarHBondContact O-CB 3.38Å; L151-A155 PolarHBondContact O-N 3Å; L151-F283 HydrophobicContact CD1-CB 4.28Å; L151-F283 HydrophobicContact CD1-CD2 4.42Å; L151-F283 HydrophobicContact CD1-CG 4.45Å; L151-F283 HydrophobicContact CD2-CD2 4.34Å; L151-V285 HydrophobicContact CD1-CB 3.71Å; L151-V285 HydrophobicContact CD1-CG1 3.94Å; L151-V285 HydrophobicContact CD1-CG2 3.65Å
152	D	91.2	Very high	85.1	Confident	35 Å²	35	55.5 Å²	55.5	19%	0.187	27%	0.265	C	S	.	.	G	3₁₀ helix	trans	-59	-26.1	171.4	-75.1	-24.8	0	0	0	113	S149 D150 R192 H193 R266	S149-D152 WeakPolarHBondContact O-CB 3.47Å; S149-D152 PolarHBondContact O-N 3.03Å; S149-D152 VanDerWaalsContact O-N 3.16Å; D150-D152 PolarHBondContact O-N 2.86Å; D152-R192 WeakPolarHBondContact OD1-CA 3.44Å; D152-H193 PolarHBondContact OD1-N 3.44Å; D152-H193 PolarHBondContact OD2-N 3.4Å; D152-H193 VanDerWaalsContact OD2-N 3.08Å; D152-R266 IonicContact OD1-CZ 3.61Å; D152-R266 IonicContact OD1-NH1 2.68Å; D152-R266 PolarHBondContact OD1-NH1 2.88Å; D152-R266 IonicContact OD1-NH2 3.94Å; D152-R266 PolarHBondContact OD1-NH2 2.92Å
153	K	85.6	Confident	84.3	Confident	122 Å²	122	56.1 Å²	56.1	53%	0.53	27%	0.271	S	S	.	.	G	3₁₀ helix	trans	-77.1	-26.3	-178.9	-62	168.9	178	162.8	0	112.7	W143 D150 L151	W143-K153 HydrophobicContact CH2-CB 4.32Å; W143-K153 HydrophobicContact CH2-CD 4.31Å; W143-K153 HydrophobicContact CZ2-CD 4.01Å; D150-K153 HydrophobicContact CB-CD 4.43Å; D150-K153 VanDerWaalsContact O-CB 3.29Å; D150-K153 WeakPolarHBondContact O-CB 3.37Å; D150-K153 PolarHBondContact O-N 2.79Å; D150-K153 IonicContact OD1-NZ 3.73Å; D150-K153 PolarHBondContact OD1-NZ 3.3Å; L151-K153 PolarHBondContact O-N 3.24Å
154	C	82.9	Confident	83.7	Confident	0 Å²	0	57.6 Å²	57.6	0%	0	28%	0.283	C	S	.	.	T	Hydrogen-bonded Turn	trans	-109.5	-23.3	-176.4	60.3	0	0	0	0	114.1	L151 N156 R157 D276	L151-C154 PolarHBondContact O-N 2.71Å; L151-C154 PolarHBondContact O-SG 3.19Å; L151-C154 VanDerWaalsContact O-SG 3.36Å; C154-N156 PolarHBondContact O-N 3.48Å; C154-R157 WeakPolarHBondContact O-CB 3.38Å; C154-R157 PolarHBondContact O-N 3.38Å; C154-D276 HydrophobicContact CB-CB 3.88Å; C154-D276 WeakPolarHBondContact CB-OD1 3.49Å
155	A	77.8	Confident	83.1	Confident	5 Å²	5	57.3 Å²	57.3	4%	0.041	28%	0.282	C	S	.	.	T	Hydrogen-bonded Turn	trans	-61.3	-15.7	-177	0	0	0	0	0	115.4	L151 L272	L151-A155 VanDerWaalsContact O-CB 3.29Å; L151-A155 WeakPolarHBondContact O-CB 3.38Å; L151-A155 PolarHBondContact O-N 3Å; A155-L272 WeakPolarHBondContact O-CD2 3.43Å
156	N	75.4	Confident	82.4	Confident	52 Å²	52	60.6 Å²	60.6	28%	0.278	30%	0.299	S	S	.	.	T	Hydrogen-bonded Turn	trans	-95.8	0	179.2	-68.2	-14.4	0	0	0	113.4	C154 V158 M189	C154-N156 PolarHBondContact O-N 3.48Å; N156-V158 VanDerWaalsContact C-N 3.29Å; N156-V158 PolarHBondContact O-N 3.12Å; N156-V158 VanDerWaalsContact O-N 3.12Å; N156-M189 HydrophobicContact CB-CE 3.63Å; N156-M189 HydrophobicContact CB-SD 3.78Å; N156-M189 PolarHBondContact OD1-SD 3.5Å; N156-M189 VanDerWaalsContact OD1-SD 3.37Å
157	R	79.5	Confident	82	Confident	138 Å²	138	58.8 Å²	58.8	52%	0.521	31%	0.307	S	S	.	.			trans	-87.8	65.9	-179.8	-62.4	178.9	-177.3	-179.6	-4.9	110.8	C154	C154-R157 WeakPolarHBondContact O-CB 3.38Å; C154-R157 PolarHBondContact O-N 3.38Å
158	V	75.5	Confident	81.4	Confident	44 Å²	44	59.5 Å²	59.5	27%	0.267	32%	0.317	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.8	125.1	-179.7	-178	0	0	0	0	110.3	N156 M160 A269 Y271 L272	N156-V158 VanDerWaalsContact C-N 3.29Å; N156-V158 PolarHBondContact O-N 3.12Å; N156-V158 VanDerWaalsContact O-N 3.12Å; V158-M160 WeakPolarHBondContact CG1-O 3.35Å; V158-A269 HydrophobicContact CG2-CB 4.01Å; V158-Y271 CarbonylContact C-O 3.01Å; V158-Y271 WeakPolarHBondContact CA-O 3.45Å; V158-L272 HydrophobicContact CG2-CD2 4.35Å
159	L	74.8	Confident	80.8	Confident	117 Å²	117	59.6 Å²	59.6	61%	0.613	32%	0.317	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-87.9	-42.6	178.5	-66.5	179.5	0	0	0	112.7	Y271	L159-Y271 PolarHBondContact N-O 3.02Å
160	M	72.6	Confident	80.4	Confident	87 Å²	87	60.3 Å²	60.3	43%	0.429	32%	0.32	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.1	161.1	-171.9	-59.4	-175.7	74.5	0	0	111.4	V158 G162 Y271	V158-M160 WeakPolarHBondContact CG1-O 3.35Å; M160-G162 PolarHBondContact O-N 3.34Å; M160-G162 VanDerWaalsContact O-N 3.14Å; M160-Y271 PolarHBondContact O-N 3.07Å
161	Y	73	Confident	80.2	Confident	31 Å²	31	59 Å²	59	12%	0.122	31%	0.313	C	S	.	.	S	Bend	trans	56	33.2	171.9	-51.2	-63.7	0	0	0	113.9	D166 R181 Y271 E303	Y161-D166 WeakPolarHBondContact CE1-OD2 3.37Å; Y161-R181 PolarHBondContact O-NH2 2.91Å; Y161-Y271 AromaticContact CD2-CD2 3.33Å; Y161-Y271 HydrophobicContact CD2-CD2 3.33Å; Y161-Y271 AromaticContact CD2-CE2 3.49Å; Y161-Y271 HydrophobicContact CD2-CE2 3.49Å; Y161-Y271 VanDerWaalsContact CD2-CE2 3.49Å; Y161-Y271 HydrophobicContact CD2-CG 4.31Å; Y161-Y271 HydrophobicContact CE2-CD2 4.08Å; Y161-Y271 AromaticContact CE2-CE2 3.88Å; Y161-Y271 HydrophobicContact CE2-CE2 3.88Å; Y161-Y271 HydrophobicContact CG-CD2 4.24Å; Y161-Y271 HydrophobicContact CG-CE2 4.47Å; Y161-E303 WeakPolarHBondContact CB-OE1 3.43Å; Y161-E303 HydrophobicContact CD1-CG 3.52Å; Y161-E303 WeakPolarHBondContact CD1-OE1 3.39Å; Y161-E303 HydrophobicContact CE1-CG 3.97Å; Y161-E303 HydrophobicContact CG-CG 3.79Å
162	G	73.1	Confident	79.9	Confident	12 Å²	12	62.2 Å²	62.2	12%	0.124	33%	0.327	C	S	.	.	S	Bend	trans	-80.3	-120.6	175	0	0	0	0	0	111.7	M160 R181	M160-G162 PolarHBondContact O-N 3.34Å; M160-G162 VanDerWaalsContact O-N 3.14Å; G162-R181 PolarHBondContact O-NH2 3.14Å
163	S	73.8	Confident	79.9	Confident	53 Å²	53	69.4 Å²	69.4	37%	0.371	36%	0.357	S	S	.	.	S	Bend	trans	-84.9	-19.2	176.1	63.8	0	0	0	0	113.9
164	E	76.8	Confident	80.3	Confident	156 Å²	156	66.1 Å²	66.1	73%	0.729	35%	0.345	S	S	*	.	S	Bend	trans	-100.1	139.6	176	-61.7	-170.8	172.3	0	0	109.8
165	L	79.4	Confident	80.8	Confident	12 Å²	12	71.4 Å²	71.4	6%	0.063	37%	0.374	C	S	.	.			trans	-113	144.7	-178.2	-55.3	178	0	0	0	109.1	H169 F172 Y177 R178 R181	L165-H169 HydrophobicContact CB-CB 4.07Å; L165-F172 HydrophobicContact CB-CD2 4.48Å; L165-F172 VanDerWaalsContact O-CD2 3.32Å; L165-F172 WeakPolarHBondContact O-CD2 3.39Å; L165-F172 WeakPolarHBondContact O-CE2 3.45Å; L165-Y177 HydrophobicContact CD1-CD1 3.86Å; L165-Y177 HydrophobicContact CD1-CE1 3.97Å; L165-R178 HydrophobicContact CD1-CG 3.9Å; L165-R181 VanDerWaalsContact CD2-CZ 3.49Å; L165-R181 VanDerWaalsContact CD2-NH1 3.28Å
166	D	80.6	Confident	81.7	Confident	71 Å²	71	76.6 Å²	76.6	38%	0.38	40%	0.404	S	S	.	.			trans	-66.1	155.6	173.6	-65.4	-37.1	0	0	0	111.4	Y161 D168 H169 F172	Y161-D166 WeakPolarHBondContact CE1-OD2 3.37Å; D166-D168 WeakPolarHBondContact CB-OD1 3.35Å; D166-D168 PolarHBondContact O-N 3.33Å; D166-H169 WeakPolarHBondContact O-CB 3.47Å; D166-H169 PolarHBondContact O-N 2.88Å; D166-F172 WeakPolarHBondContact O-CB 3.13Å; D166-F172 VanDerWaalsContact O-CD2 3.24Å; D166-F172 WeakPolarHBondContact O-CD2 3.13Å
167	A	81.4	Confident	82.6	Confident	81 Å²	81	75.2 Å²	75.2	67%	0.669	40%	0.395	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.3	-24	-173.9	0	0	0	0	0	114	F172	A167-F172 HydrophobicContact CB-CE1 4.42Å; A167-F172 HydrophobicContact CB-CE2 4.44Å; A167-F172 HydrophobicContact CB-CZ 4.33Å
168	D	80.8	Confident	83.3	Confident	143 Å²	143	73.3 Å²	73.3	77%	0.765	39%	0.388	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88.8	-6.8	176.5	63.1	-26.4	0	0	0	113.1	D166	D166-D168 WeakPolarHBondContact CB-OD1 3.35Å; D166-D168 PolarHBondContact O-N 3.33Å
169	H	83.8	Confident	84.2	Confident	12 Å²	12	78.9 Å²	78.9	6%	0.056	41%	0.409	C	S	.	.	S	Bend	trans	-65.3	134.2	175.8	-171.3	-79.3	0	0	0	110.7	L165 D166 G171 F172 Y177 E303	L165-H169 HydrophobicContact CB-CB 4.07Å; D166-H169 WeakPolarHBondContact O-CB 3.47Å; D166-H169 PolarHBondContact O-N 2.88Å; H169-G171 PolarHBondContact ND1-N 2.68Å; H169-G171 PolarHBondContact O-N 3.49Å; H169-G171 VanDerWaalsContact O-N 3.14Å; H169-F172 HydrophobicContact CB-CB 4.5Å; H169-F172 WeakPolarHBondContact O-CB 3.35Å; H169-F172 PolarHBondContact O-N 3.48Å; H169-Y177 AromaticContact CE1-CE1 3.6Å; H169-E303 IonicContact CD2-OE1 3.33Å; H169-E303 IonicContact CD2-OE2 3.72Å; H169-E303 IonicContact NE2-OE1 3.37Å; H169-E303 IonicContact NE2-OE2 3.54Å; H169-E303 PolarHBondContact NE2-OE2 3.44Å
170	P	85.1	Confident	85.3	Confident	65 Å²	65	75.8 Å²	75.8	42%	0.422	39%	0.389	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57.6	-35	-176.6	20.7	-33	0	0	0	113.2	F172 H294	P170-F172 PolarHBondContact O-N 3.27Å; P170-H294 HydrophobicContact CB-CB 4.2Å; P170-H294 HydrophobicContact CG-CB 3.9Å
171	G	87.5	Confident	86.3	Confident	0 Å²	0	71.8 Å²	71.8	0%	0	37%	0.369	C	S	.	.	T	Hydrogen-bonded Turn	trans	-81.4	3.4	175.2	0	0	0	0	0	116.2	H169 K173 D174	H169-G171 PolarHBondContact ND1-N 2.68Å; H169-G171 PolarHBondContact O-N 3.49Å; H169-G171 VanDerWaalsContact O-N 3.14Å; G171-K173 VanDerWaalsContact C-N 3.29Å; G171-K173 PolarHBondContact O-N 3.08Å; G171-D174 PolarHBondContact O-N 3.06Å; G171-D174 VanDerWaalsContact O-N 3.11Å
172	F	88	Confident	87.3	Confident	70 Å²	70	75.1 Å²	75.1	31%	0.307	38%	0.384	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60.1	-38	-175.3	-179.8	-102.8	0	0	0	113.2	L165 D166 A167 H169 P170 R178	L165-F172 HydrophobicContact CB-CD2 4.48Å; L165-F172 VanDerWaalsContact O-CD2 3.32Å; L165-F172 WeakPolarHBondContact O-CD2 3.39Å; L165-F172 WeakPolarHBondContact O-CE2 3.45Å; D166-F172 WeakPolarHBondContact O-CB 3.13Å; D166-F172 VanDerWaalsContact O-CD2 3.24Å; D166-F172 WeakPolarHBondContact O-CD2 3.13Å; A167-F172 HydrophobicContact CB-CE1 4.42Å; A167-F172 HydrophobicContact CB-CE2 4.44Å; A167-F172 HydrophobicContact CB-CZ 4.33Å; H169-F172 HydrophobicContact CB-CB 4.5Å; H169-F172 WeakPolarHBondContact O-CB 3.35Å; H169-F172 PolarHBondContact O-N 3.48Å; P170-F172 PolarHBondContact O-N 3.27Å; F172-R178 VanDerWaalsContact O-CD 3.3Å; F172-R178 WeakPolarHBondContact O-CD 3.17Å
173	K	90.7	Very high	88.5	Confident	186 Å²	186	78.9 Å²	78.9	81%	0.809	40%	0.395	S	S	*	.	T	Hydrogen-bonded Turn	trans	-90.7	-5.5	178.6	-66	-176.8	-179.7	175.8	0	113.4	G171 N175	G171-K173 VanDerWaalsContact C-N 3.29Å; G171-K173 PolarHBondContact O-N 3.08Å; K173-N175 PolarHBondContact O-N 2.95Å
174	D	93.3	Very high	89.5	Confident	54 Å²	54	76.6 Å²	76.6	29%	0.289	38%	0.379	S	S	.	.			trans	-90.3	104.8	179	-173.5	-21.4	0	0	0	110.4	G171 V176 Y177 R178 H294	G171-D174 PolarHBondContact O-N 3.06Å; G171-D174 VanDerWaalsContact O-N 3.11Å; D174-V176 VanDerWaalsContact C-N 3.29Å; D174-V176 PolarHBondContact O-N 3.17Å; D174-V176 WeakPolarHBondContact OD1-CA 3.09Å; D174-V176 WeakPolarHBondContact OD1-CB 3.36Å; D174-V176 PolarHBondContact OD1-N 2.91Å; D174-Y177 PolarHBondContact O-N 3.39Å; D174-Y177 PolarHBondContact OD1-N 2.89Å; D174-R178 WeakPolarHBondContact O-CB 3.42Å; D174-R178 VanDerWaalsContact O-CG 3.31Å; D174-R178 WeakPolarHBondContact O-CG 3.49Å; D174-R178 PolarHBondContact O-N 2.83Å; D174-H294 IonicContact OD2-NE2 3.46Å; D174-H294 PolarHBondContact OD2-NE2 3.5Å
175	N	94.3	Very high	90.4	Very high	111 Å²	111	69.5 Å²	69.5	59%	0.594	35%	0.347	S	S	*	.	H	α-helix	trans	-67.1	-28.3	178.9	-69.7	-40.9	0	0	0	113.4	K173 K179	K173-N175 PolarHBondContact O-N 2.95Å; N175-K179 VanDerWaalsContact O-CG 3.28Å; N175-K179 WeakPolarHBondContact O-CG 3.45Å; N175-K179 PolarHBondContact O-N 2.98Å
176	V	95.8	Very high	91.1	Very high	113 Å²	113	72.8 Å²	72.8	69%	0.685	36%	0.364	S	S	*	.	H	α-helix	trans	-72.1	-48.8	176.9	-180	0	0	0	0	108.7	D174 R178 K179 R180	D174-V176 VanDerWaalsContact C-N 3.29Å; D174-V176 PolarHBondContact O-N 3.17Å; D174-V176 WeakPolarHBondContact OD1-CA 3.09Å; D174-V176 WeakPolarHBondContact OD1-CB 3.36Å; D174-V176 PolarHBondContact OD1-N 2.91Å; V176-R178 PolarHBondContact O-N 3.06Å; V176-K179 PolarHBondContact O-N 2.78Å; V176-R180 WeakPolarHBondContact O-CB 3.13Å; V176-R180 PolarHBondContact O-N 3Å
177	Y	94.8	Very high	91.8	Very high	24 Å²	24	71.1 Å²	71.1	9%	0.094	36%	0.355	C	S	.	.	H	α-helix	trans	-60.1	-43.4	177	-170.5	-99.9	0	0	0	112.3	L165 H169 D174 K179 R180 R181 V292 H294	L165-Y177 HydrophobicContact CD1-CD1 3.86Å; L165-Y177 HydrophobicContact CD1-CE1 3.97Å; H169-Y177 AromaticContact CE1-CE1 3.6Å; D174-Y177 PolarHBondContact O-N 3.39Å; D174-Y177 PolarHBondContact OD1-N 2.89Å; Y177-K179 PolarHBondContact O-N 2.69Å; Y177-R180 CarbonylContact O-C 3.58Å; Y177-R180 WeakPolarHBondContact O-CB 2.93Å; Y177-R180 PolarHBondContact O-N 3.47Å; Y177-R180 VanDerWaalsContact O-N 3.16Å; Y177-R181 HydrophobicContact CD1-CG 4.02Å; Y177-R181 HydrophobicContact CE1-CG 3.6Å; Y177-R181 PolarHBondContact O-N 2.87Å; Y177-V292 WeakPolarHBondContact CE2-O 3.44Å; Y177-V292 PolarHBondContact OH-O 2.91Å; Y177-H294 AromaticContact CD2-CD2 3.72Å; Y177-H294 HydrophobicContact CE2-CB 4.24Å; Y177-H294 AromaticContact CG-CD2 3.66Å
178	R	93.7	Very high	92.5	Very high	97 Å²	97	67.5 Å²	67.5	37%	0.366	33%	0.325	S	S	.	.	H	α-helix	trans	-61.6	-42.7	176.3	-74.4	-179.9	66.1	175.4	3.6	113.1	L165 F172 D174 V176 R180 R181 K182	L165-R178 HydrophobicContact CD1-CG 3.9Å; F172-R178 VanDerWaalsContact O-CD 3.3Å; F172-R178 WeakPolarHBondContact O-CD 3.17Å; D174-R178 WeakPolarHBondContact O-CB 3.42Å; D174-R178 VanDerWaalsContact O-CG 3.31Å; D174-R178 WeakPolarHBondContact O-CG 3.49Å; D174-R178 PolarHBondContact O-N 2.83Å; V176-R178 PolarHBondContact O-N 3.06Å; R178-R180 VanDerWaalsContact C-N 3.3Å; R178-R180 PolarHBondContact O-N 3.01Å; R178-R181 PolarHBondContact O-N 3.05Å; R178-K182 PolarHBondContact O-N 2.92Å
179	K	95.6	Very high	93	Very high	162 Å²	162	64.2 Å²	64.2	70%	0.704	31%	0.306	S	S	*	.	H	α-helix	trans	-63.3	-39.8	174.2	-75.7	175.9	-177.2	-179.2	0	111.2	N175 V176 Y177 K182 Y183	N175-K179 VanDerWaalsContact O-CG 3.28Å; N175-K179 WeakPolarHBondContact O-CG 3.45Å; N175-K179 PolarHBondContact O-N 2.98Å; V176-K179 PolarHBondContact O-N 2.78Å; Y177-K179 PolarHBondContact O-N 2.69Å; K179-K182 PolarHBondContact O-N 2.89Å; K179-Y183 PolarHBondContact O-N 3.43Å
180	R	96.3	Very high	93.5	Very high	51 Å²	51	66.9 Å²	66.9	19%	0.192	33%	0.33	C	S	.	.	H	α-helix	trans	-65.4	-41.4	177.5	-171.6	57.7	169	-179.1	-4.1	112	V176 Y177 R178 Y183 F184 E201 E206	V176-R180 WeakPolarHBondContact O-CB 3.13Å; V176-R180 PolarHBondContact O-N 3Å; Y177-R180 CarbonylContact O-C 3.58Å; Y177-R180 WeakPolarHBondContact O-CB 2.93Å; Y177-R180 PolarHBondContact O-N 3.47Å; Y177-R180 VanDerWaalsContact O-N 3.16Å; R178-R180 VanDerWaalsContact C-N 3.3Å; R178-R180 PolarHBondContact O-N 3.01Å; R180-Y183 WeakPolarHBondContact O-CB 3.38Å; R180-Y183 PolarHBondContact O-N 2.63Å; R180-F184 HydrophobicContact CG-CD2 4.32Å; R180-F184 HydrophobicContact CG-CE2 3.76Å; R180-F184 WeakPolarHBondContact O-CD2 3.48Å; R180-F184 PolarHBondContact O-N 2.6Å; R180-E201 PolarHBondContact NH2-O 3.49Å; R180-E206 WeakPolarHBondContact CG-OE1 3.43Å; R180-E206 IonicContact CZ-OE1 3.41Å; R180-E206 IonicContact CZ-OE2 3.86Å; R180-E206 IonicContact NE-OE1 3.18Å; R180-E206 PolarHBondContact NE-OE1 2.71Å; R180-E206 IonicContact NE-OE2 3.15Å; R180-E206 IonicContact NH2-OE1 2.94Å; R180-E206 IonicContact NH2-OE2 3.99Å; R180-E206 PolarHBondContact NH2-OE2 3.06Å
181	R	94.8	Very high	94	Very high	3 Å²	3	64.5 Å²	64.5	1%	0.011	31%	0.314	C	S	.	.	H	α-helix	trans	-62	-43.1	172	-76.7	-69.5	-68.5	-85.9	0.4	112.9	Y161 G162 L165 Y177 R178 Y183 F184 A185 Y291 E303	Y161-R181 PolarHBondContact O-NH2 2.91Å; G162-R181 PolarHBondContact O-NH2 3.14Å; L165-R181 VanDerWaalsContact CD2-CZ 3.49Å; L165-R181 VanDerWaalsContact CD2-NH1 3.28Å; Y177-R181 HydrophobicContact CD1-CG 4.02Å; Y177-R181 HydrophobicContact CE1-CG 3.6Å; Y177-R181 PolarHBondContact O-N 2.87Å; R178-R181 PolarHBondContact O-N 3.05Å; R181-Y183 VanDerWaalsContact C-N 3.31Å; R181-Y183 PolarHBondContact O-N 3.41Å; R181-F184 PolarHBondContact O-N 3.04Å; R181-A185 PolarHBondContact O-N 3.29Å; R181-Y291 VanDerWaalsContact CD-CG 3.47Å; R181-E303 IonicContact CZ-OE1 2.73Å; R181-E303 IonicContact CZ-OE2 3.63Å; R181-E303 VanDerWaalsContact NH1-CD 3.31Å; R181-E303 IonicContact NH1-OE1 3.66Å; R181-E303 PolarHBondContact NH1-OE1 2.64Å; R181-E303 VanDerWaalsContact NH1-OE1 3.13Å; R181-E303 IonicContact NH1-OE2 3.55Å; R181-E303 PolarHBondContact NH1-OE2 2.75Å; R181-E303 IonicContact NH2-OE1 3.75Å; R181-E303 PolarHBondContact NH2-OE1 3.2Å; R181-E303 IonicContact NH2-OE2 2.82Å
182	K	94.6	Very high	94.4	Very high	101 Å²	101	69.3 Å²	69.3	44%	0.439	33%	0.332	S	S	.	.	H	α-helix	trans	-59.4	-42.1	174	-177.2	172.8	171.2	48.2	0	112	R178 K179 F184 A185 D186	R178-K182 PolarHBondContact O-N 2.92Å; K179-K182 PolarHBondContact O-N 2.89Å; K182-F184 PolarHBondContact O-N 3.38Å; K182-A185 PolarHBondContact O-N 3.21Å; K182-D186 WeakPolarHBondContact CE-OD2 3.4Å; K182-D186 IonicContact NZ-OD1 2.7Å; K182-D186 PolarHBondContact NZ-OD1 2.95Å; K182-D186 IonicContact NZ-OD2 3.48Å; K182-D186 PolarHBondContact NZ-OD2 2.91Å; K182-D186 VanDerWaalsContact NZ-OD2 3.15Å; K182-D186 WeakPolarHBondContact O-CB 3.37Å; K182-D186 PolarHBondContact O-N 2.9Å
183	Y	96.6	Very high	94.7	Very high	91 Å²	91	69.6 Å²	69.6	36%	0.357	33%	0.334	S	S	.	.	H	α-helix	trans	-56.7	-48.1	175.3	164	-100.2	0	0	0	112.3	K179 R180 R181 A185 D186 L187 I200	K179-Y183 PolarHBondContact O-N 3.43Å; R180-Y183 WeakPolarHBondContact O-CB 3.38Å; R180-Y183 PolarHBondContact O-N 2.63Å; R181-Y183 VanDerWaalsContact C-N 3.31Å; R181-Y183 PolarHBondContact O-N 3.41Å; Y183-A185 PolarHBondContact O-N 3.06Å; Y183-D186 PolarHBondContact O-N 3.07Å; Y183-L187 HydrophobicContact CD1-CD1 4.34Å; Y183-L187 HydrophobicContact CE1-CD1 3.73Å; Y183-L187 HydrophobicContact CE2-CD1 3.93Å; Y183-L187 HydrophobicContact CE2-CG 4.26Å; Y183-L187 WeakPolarHBondContact O-CG 3.19Å; Y183-L187 PolarHBondContact O-N 3.19Å; Y183-L187 VanDerWaalsContact O-N 3.11Å; Y183-I200 HydrophobicContact CE1-CD1 4.14Å
184	F	96.4	Very high	94.9	Very high	6 Å²	6	63.9 Å²	63.9	3%	0.026	33%	0.328	C	S	.	.	H	α-helix	trans	-62	-42.7	175.7	-70.6	-64.7	0	0	0	112.8	R180 R181 K182 L187 A188 I200 F202 Q290 Y291	R180-F184 HydrophobicContact CG-CD2 4.32Å; R180-F184 HydrophobicContact CG-CE2 3.76Å; R180-F184 WeakPolarHBondContact O-CD2 3.48Å; R180-F184 PolarHBondContact O-N 2.6Å; R181-F184 PolarHBondContact O-N 3.04Å; K182-F184 PolarHBondContact O-N 3.38Å; F184-L187 PolarHBondContact O-N 2.79Å; F184-A188 PolarHBondContact O-N 2.9Å; F184-I200 HydrophobicContact CD1-CD1 4.13Å; F184-I200 HydrophobicContact CE1-CB 4.4Å; F184-I200 HydrophobicContact CE1-CD1 3.89Å; F184-I200 HydrophobicContact CE1-CG1 3.96Å; F184-I200 HydrophobicContact CE1-CG2 3.59Å; F184-I200 HydrophobicContact CZ-CG2 3.97Å; F184-F202 HydrophobicContact CE1-CE1 4.34Å; F184-F202 HydrophobicContact CZ-CD1 4.49Å; F184-F202 HydrophobicContact CZ-CE1 4.12Å; F184-Q290 HydrophobicContact CD1-CB 3.64Å; F184-Q290 HydrophobicContact CE1-CB 3.98Å; F184-Q290 WeakPolarHBondContact CE1-O 3.31Å; F184-Y291 VanDerWaalsContact CD2-CB 3.49Å
185	A	94.1	Very high	95	Very high	7 Å²	7	65.5 Å²	65.5	6%	0.058	34%	0.337	C	S	.	.	H	α-helix	trans	-62.9	-45.5	178	0	0	0	0	0	111.7	R181 K182 Y183 L187 A188 M189 A269	R181-A185 PolarHBondContact O-N 3.29Å; K182-A185 PolarHBondContact O-N 3.21Å; Y183-A185 PolarHBondContact O-N 3.06Å; A185-L187 VanDerWaalsContact C-N 3.3Å; A185-L187 PolarHBondContact O-N 3.04Å; A185-A188 PolarHBondContact O-N 3.24Å; A185-M189 WeakPolarHBondContact O-CB 3.35Å; A185-M189 WeakPolarHBondContact O-CG 3.35Å; A185-M189 PolarHBondContact O-N 3.19Å; A185-A269 HydrophobicContact CB-CB 3.82Å
186	D	94.9	Very high	95.2	Very high	80 Å²	80	64.7 Å²	64.7	43%	0.428	34%	0.338	S	S	.	.	H	α-helix	trans	-62.4	-37.7	179.7	-67.3	-17.1	0	0	0	110.9	K182 Y183 A190	K182-D186 WeakPolarHBondContact CE-OD2 3.4Å; K182-D186 IonicContact NZ-OD1 2.7Å; K182-D186 PolarHBondContact NZ-OD1 2.95Å; K182-D186 IonicContact NZ-OD2 3.48Å; K182-D186 PolarHBondContact NZ-OD2 2.91Å; K182-D186 VanDerWaalsContact NZ-OD2 3.15Å; K182-D186 WeakPolarHBondContact O-CB 3.37Å; K182-D186 PolarHBondContact O-N 2.9Å; Y183-D186 PolarHBondContact O-N 3.07Å; D186-A190 WeakPolarHBondContact O-CB 3.4Å; D186-A190 PolarHBondContact O-N 3.2Å; D186-A190 VanDerWaalsContact O-N 3.14Å
187	L	95.8	Very high	95.3	Very high	37 Å²	37	59.9 Å²	59.9	19%	0.194	31%	0.308	C	S	.	.	H	α-helix	trans	-63.5	-49.2	173.5	-72.9	177.9	0	0	0	112.8	Y183 F184 A185 M189 A190 H191 P198 I200	Y183-L187 HydrophobicContact CD1-CD1 4.34Å; Y183-L187 HydrophobicContact CE1-CD1 3.73Å; Y183-L187 HydrophobicContact CE2-CD1 3.93Å; Y183-L187 HydrophobicContact CE2-CG 4.26Å; Y183-L187 WeakPolarHBondContact O-CG 3.19Å; Y183-L187 PolarHBondContact O-N 3.19Å; Y183-L187 VanDerWaalsContact O-N 3.11Å; F184-L187 PolarHBondContact O-N 2.79Å; A185-L187 VanDerWaalsContact C-N 3.3Å; A185-L187 PolarHBondContact O-N 3.04Å; L187-M189 VanDerWaalsContact C-N 3.31Å; L187-M189 PolarHBondContact O-N 3.4Å; L187-A190 PolarHBondContact O-N 3.34Å; L187-H191 PolarHBondContact O-N 2.99Å; L187-H191 VanDerWaalsContact O-N 3.12Å; L187-P198 HydrophobicContact CD1-CB 4.28Å; L187-P198 HydrophobicContact CD2-CB 4.13Å; L187-P198 HydrophobicContact CD2-CG 4.36Å; L187-I200 HydrophobicContact CD1-CD1 3.38Å
188	A	94.8	Very high	95.4	Very high	4 Å²	4	60.5 Å²	60.5	3%	0.033	32%	0.315	C	S	.	.	H	α-helix	trans	-62.8	-39	-179.8	0	0	0	0	0	112	F184 A185 A190 H191 P267 A269	F184-A188 PolarHBondContact O-N 2.9Å; A185-A188 PolarHBondContact O-N 3.24Å; A188-A190 VanDerWaalsContact C-N 3.3Å; A188-A190 PolarHBondContact O-N 3.17Å; A188-H191 PolarHBondContact O-N 3.24Å; A188-P267 HydrophobicContact CB-CB 4.18Å; A188-A269 HydrophobicContact CB-CB 4.07Å
189	M	91.3	Very high	95.6	Very high	75 Å²	75	62 Å²	62	37%	0.369	33%	0.325	S	S	.	.	H	α-helix	trans	-69.3	-27.4	177.9	-65.8	-70.6	-71.6	0	0	112.9	N156 A185 L187 R192 A269	N156-M189 HydrophobicContact CB-CE 3.63Å; N156-M189 HydrophobicContact CB-SD 3.78Å; N156-M189 PolarHBondContact OD1-SD 3.5Å; N156-M189 VanDerWaalsContact OD1-SD 3.37Å; A185-M189 WeakPolarHBondContact O-CB 3.35Å; A185-M189 WeakPolarHBondContact O-CG 3.35Å; A185-M189 PolarHBondContact O-N 3.19Å; L187-M189 VanDerWaalsContact C-N 3.31Å; L187-M189 PolarHBondContact O-N 3.4Å; M189-R192 PolarHBondContact O-NH1 2.85Å; M189-A269 HydrophobicContact CG-CB 4.29Å; M189-A269 HydrophobicContact SD-CB 4.48Å
190	A	95.3	Very high	95.7	Very high	68 Å²	68	54.3 Å²	54.3	56%	0.562	29%	0.292	S	S	*	.	H	α-helix	trans	-79.1	-30.4	176.7	0	0	0	0	0	112.9	D186 L187 A188 R192	D186-A190 WeakPolarHBondContact O-CB 3.4Å; D186-A190 PolarHBondContact O-N 3.2Å; D186-A190 VanDerWaalsContact O-N 3.14Å; L187-A190 PolarHBondContact O-N 3.34Å; A188-A190 VanDerWaalsContact C-N 3.3Å; A188-A190 PolarHBondContact O-N 3.17Å; A190-R192 PolarHBondContact O-NH1 3.38Å
191	H	96.1	Very high	95.7	Very high	15 Å²	15	59.5 Å²	59.5	7%	0.069	32%	0.319	C	S	.	.			trans	-60.1	138.4	-177.4	177.7	-84.8	0	0	0	113	L187 A188 R266 P267	L187-H191 PolarHBondContact O-N 2.99Å; L187-H191 VanDerWaalsContact O-N 3.12Å; A188-H191 PolarHBondContact O-N 3.24Å; H191-R266 PolarHBondContact O-NH2 3.22Å; H191-P267 HydrophobicContact CB-CG 3.75Å
192	R	95.4	Very high	95.9	Very high	101 Å²	101	61.1 Å²	61.1	38%	0.381	33%	0.326	S	S	.	.			trans	-124.4	157.7	172.8	-62.9	-66.3	177.8	-89.1	-4.2	111.4	D152 M189 A190 G194 D195	D152-R192 WeakPolarHBondContact OD1-CA 3.44Å; M189-R192 PolarHBondContact O-NH1 2.85Å; A190-R192 PolarHBondContact O-NH1 3.38Å; R192-G194 PolarHBondContact O-N 3.37Å; R192-D195 WeakPolarHBondContact CB-OD2 3.48Å; R192-D195 PolarHBondContact N-OD2 3.47Å; R192-D195 WeakPolarHBondContact O-CB 2.82Å; R192-D195 PolarHBondContact O-N 2.94Å
193	H	94.3	Very high	96.1	Very high	75 Å²	75	59.2 Å²	59.2	35%	0.347	32%	0.323	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60.8	127.6	176.7	174.4	78.1	0	0	0	110.6	D152	D152-H193 PolarHBondContact OD1-N 3.44Å; D152-H193 PolarHBondContact OD2-N 3.4Å; D152-H193 VanDerWaalsContact OD2-N 3.08Å
194	G	93.8	Very high	96.1	Very high	67 Å²	67	63.4 Å²	63.4	69%	0.691	35%	0.346	S	S	*	.	T	Hydrogen-bonded Turn	trans	102.1	-18.8	-179.1	0	0	0	0	0	113.7	R192	R192-G194 PolarHBondContact O-N 3.37Å
195	D	96.7	Very high	96.2	Very high	88 Å²	88	68.5 Å²	68.5	47%	0.471	37%	0.369	S	S	.	.	S	Bend	trans	-73.5	148.6	171.6	-62.5	-26.8	0	0	0	110.3	R192	R192-D195 WeakPolarHBondContact CB-OD2 3.48Å; R192-D195 PolarHBondContact N-OD2 3.47Å; R192-D195 WeakPolarHBondContact O-CB 2.82Å; R192-D195 PolarHBondContact O-N 2.94Å
196	P	97.5	Very high	96.4	Very high	94 Å²	94	69 Å²	69	61%	0.61	37%	0.37	S	S	*	.	P	Polyproline II helix	trans	-65.1	144	166.4	28.7	-33.6	0	0	0	110.2
197	I	98.1	Very high	96.6	Very high	11 Å²	11	66.8 Å²	66.8	6%	0.056	36%	0.36	C	S	.	.	P	Polyproline II helix	trans	-68	130.1	178.7	-55.6	173	0	0	0	109	H199 L250 E251 I265 P267	I197-H199 PolarHBondContact O-N 2.99Å; I197-L250 HydrophobicContact CB-CB 4.46Å; I197-L250 HydrophobicContact CD1-CB 3.98Å; I197-L250 HydrophobicContact CG2-CB 3.77Å; I197-L250 HydrophobicContact CG2-CD1 4.41Å; I197-E251 HydrophobicContact CB-CB 4.17Å; I197-E251 WeakPolarHBondContact CG1-OE2 3.37Å; I197-E251 PolarHBondContact N-OE2 3.24Å; I197-I265 HydrophobicContact CD1-CB 4.07Å; I197-I265 HydrophobicContact CD1-CG2 4.08Å; I197-I265 WeakPolarHBondContact CD1-O 3.49Å; I197-P267 HydrophobicContact CG2-CB 4.29Å; I197-P267 HydrophobicContact CG2-CG 4.03Å
198	P	97.1	Very high	96.7	Very high	38 Å²	38	72.7 Å²	72.7	25%	0.247	38%	0.384	C	S	.	.	P	Polyproline II helix	trans	-56.8	128.4	-177.6	-27.5	35	0	0	0	112.8	L187 Q290	L187-P198 HydrophobicContact CD1-CB 4.28Å; L187-P198 HydrophobicContact CD2-CB 4.13Å; L187-P198 HydrophobicContact CD2-CG 4.36Å; P198-Q290 PolarHBondContact O-NE2 3.33Å; P198-Q290 VanDerWaalsContact O-NE2 3.14Å
199	H	97.3	Very high	96.8	Very high	127 Å²	127	73 Å²	73	59%	0.588	39%	0.385	S	S	*	.	P	Polyproline II helix	trans	-69.9	137.4	173.6	-174.9	-79.6	0	0	0	110.6	I197 Q249	I197-H199 PolarHBondContact O-N 2.99Å; H199-Q249 VanDerWaalsContact CD2-CD 3.44Å; H199-Q249 VanDerWaalsContact CD2-CG 3.49Å; H199-Q249 WeakPolarHBondContact CD2-CG 3.23Å; H199-Q249 WeakPolarHBondContact NE2-CG 3.27Å
200	I	97.8	Very high	97.1	Very high	1 Å²	1	69.4 Å²	69.4	1%	0.005	37%	0.368	C	S	.	.			trans	-111.4	124.1	-179.8	-53.2	-59	0	0	0	110	Y183 F184 L187 F202 Q249	Y183-I200 HydrophobicContact CE1-CD1 4.14Å; F184-I200 HydrophobicContact CD1-CD1 4.13Å; F184-I200 HydrophobicContact CE1-CB 4.4Å; F184-I200 HydrophobicContact CE1-CD1 3.89Å; F184-I200 HydrophobicContact CE1-CG1 3.96Å; F184-I200 HydrophobicContact CE1-CG2 3.59Å; F184-I200 HydrophobicContact CZ-CG2 3.97Å; L187-I200 HydrophobicContact CD1-CD1 3.38Å; I200-F202 HydrophobicContact CB-CD2 4.25Å; I200-F202 HydrophobicContact CB-CE1 4.32Å; I200-F202 HydrophobicContact CB-CE2 3.89Å; I200-F202 HydrophobicContact CB-CZ 3.93Å; I200-F202 HydrophobicContact CG1-CZ 4.41Å; I200-F202 HydrophobicContact CG2-CD1 3.78Å; I200-F202 HydrophobicContact CG2-CD2 4.09Å; I200-F202 HydrophobicContact CG2-CE1 3.71Å; I200-F202 HydrophobicContact CG2-CE2 4.04Å; I200-F202 HydrophobicContact CG2-CG 3.97Å; I200-F202 HydrophobicContact CG2-CZ 3.85Å; I200-F202 PolarHBondContact O-N 2.68Å; I200-Q249 PolarHBondContact O-NE2 3.25Å
201	E	97.6	Very high	97.3	Very high	161 Å²	161	66.4 Å²	66.4	75%	0.752	34%	0.343	S	S	*	.			trans	-80.5	97	161.9	-67.1	-178.8	179.9	0	0	108.5	R180	R180-E201 PolarHBondContact NH2-O 3.49Å
202	F	98.1	Very high	97.3	Very high	36 Å²	36	67.4 Å²	67.4	16%	0.158	35%	0.351	C	S	.	.			trans	-71.4	142.7	175.8	-68.3	-76.2	0	0	0	110.9	F184 I200 E206 V207 I247 V292	F184-F202 HydrophobicContact CE1-CE1 4.34Å; F184-F202 HydrophobicContact CZ-CD1 4.49Å; F184-F202 HydrophobicContact CZ-CE1 4.12Å; I200-F202 HydrophobicContact CB-CD2 4.25Å; I200-F202 HydrophobicContact CB-CE1 4.32Å; I200-F202 HydrophobicContact CB-CE2 3.89Å; I200-F202 HydrophobicContact CB-CZ 3.93Å; I200-F202 HydrophobicContact CG1-CZ 4.41Å; I200-F202 HydrophobicContact CG2-CD1 3.78Å; I200-F202 HydrophobicContact CG2-CD2 4.09Å; I200-F202 HydrophobicContact CG2-CE1 3.71Å; I200-F202 HydrophobicContact CG2-CE2 4.04Å; I200-F202 HydrophobicContact CG2-CG 3.97Å; I200-F202 HydrophobicContact CG2-CZ 3.85Å; I200-F202 PolarHBondContact O-N 2.68Å; F202-E206 VanDerWaalsContact CA-OE2 3.29Å; F202-E206 WeakPolarHBondContact CA-OE2 3.32Å; F202-E206 HydrophobicContact CB-CB 4.29Å; F202-E206 HydrophobicContact CD1-CB 4.31Å; F202-V207 HydrophobicContact CB-CG2 3.93Å; F202-I247 HydrophobicContact CB-CD1 4.16Å; F202-I247 HydrophobicContact CD1-CD1 3.79Å; F202-I247 HydrophobicContact CD2-CB 3.78Å; F202-I247 HydrophobicContact CD2-CD1 4.13Å; F202-I247 HydrophobicContact CD2-CG1 4.42Å; F202-I247 HydrophobicContact CD2-CG2 4.14Å; F202-I247 HydrophobicContact CE1-CD1 4.16Å; F202-I247 HydrophobicContact CE1-CG2 4.36Å; F202-I247 HydrophobicContact CE2-CB 3.75Å; F202-I247 HydrophobicContact CE2-CD1 4.47Å; F202-I247 HydrophobicContact CE2-CG2 3.6Å; F202-I247 HydrophobicContact CG-CB 4.32Å; F202-I247 HydrophobicContact CG-CD1 3.77Å; F202-I247 HydrophobicContact CG-CG1 4.49Å; F202-I247 HydrophobicContact CZ-CB 4.29Å; F202-I247 HydrophobicContact CZ-CD1 4.48Å; F202-I247 HydrophobicContact CZ-CG2 3.73Å; F202-V292 HydrophobicContact CD1-CG2 4.04Å; F202-V292 HydrophobicContact CE1-CG2 3.92Å
203	T	98.3	Very high	97.3	Very high	61 Å²	61	62.6 Å²	62.6	37%	0.374	33%	0.333	S	S	.	.			trans	-74.2	160	176.3	72.9	0	0	0	0	110.9	E205 E206 V207	T203-E205 PolarHBondContact O-N 3.06Å; T203-E205 PolarHBondContact OG1-N 3.47Å; T203-E206 PolarHBondContact N-OE2 3.4Å; T203-E206 WeakPolarHBondContact O-CB 3.31Å; T203-E206 PolarHBondContact O-N 3.14Å; T203-E206 VanDerWaalsContact O-N 3.13Å; T203-E206 WeakPolarHBondContact OG1-CG 3.14Å; T203-E206 PolarHBondContact OG1-N 3.16Å; T203-E206 VanDerWaalsContact OG1-N 3.15Å; T203-V207 WeakPolarHBondContact O-CG2 3.49Å; T203-V207 PolarHBondContact O-N 2.88Å
204	E	98.1	Very high	97.5	Very high	180 Å²	180	60.4 Å²	60.4	84%	0.841	32%	0.322	S	S	*	.	H	α-helix	trans	-57.2	-34.1	174.5	-64.4	-178.6	179.3	0	0	112.4	K208	E204-K208 VanDerWaalsContact O-CB 3.23Å; E204-K208 WeakPolarHBondContact O-CB 3.4Å; E204-K208 PolarHBondContact O-N 3.24Å
205	E	97.8	Very high	97.6	Very high	112 Å²	112	61.9 Å²	61.9	52%	0.523	31%	0.306	S	S	.	.	H	α-helix	trans	-69.3	-41	176.8	-176.4	175.7	-161.5	0	0	112.4	T203 K208 T209 S295	T203-E205 PolarHBondContact O-N 3.06Å; T203-E205 PolarHBondContact OG1-N 3.47Å; E205-K208 PolarHBondContact O-N 3.43Å; E205-T209 WeakPolarHBondContact O-CB 3.3Å; E205-T209 PolarHBondContact O-N 3.15Å; E205-T209 PolarHBondContact O-OG1 2.85Å; E205-S295 VanDerWaalsContact OE1-CB 3.23Å; E205-S295 WeakPolarHBondContact OE1-CB 3.38Å; E205-S295 PolarHBondContact OE1-OG 3.23Å
206	E	98.4	Very high	97.6	Very high	17 Å²	17	60.4 Å²	60.4	8%	0.079	30%	0.296	C	S	.	.	H	α-helix	trans	-62.5	-48.2	175.1	-74.8	170.2	160.6	0	0	110.4	R180 F202 T203 K208 T209 W210 I247 V292	R180-E206 WeakPolarHBondContact CG-OE1 3.43Å; R180-E206 IonicContact CZ-OE1 3.41Å; R180-E206 IonicContact CZ-OE2 3.86Å; R180-E206 IonicContact NE-OE1 3.18Å; R180-E206 PolarHBondContact NE-OE1 2.71Å; R180-E206 IonicContact NE-OE2 3.15Å; R180-E206 IonicContact NH2-OE1 2.94Å; R180-E206 IonicContact NH2-OE2 3.99Å; R180-E206 PolarHBondContact NH2-OE2 3.06Å; F202-E206 VanDerWaalsContact CA-OE2 3.29Å; F202-E206 WeakPolarHBondContact CA-OE2 3.32Å; F202-E206 HydrophobicContact CB-CB 4.29Å; F202-E206 HydrophobicContact CD1-CB 4.31Å; T203-E206 PolarHBondContact N-OE2 3.4Å; T203-E206 WeakPolarHBondContact O-CB 3.31Å; T203-E206 PolarHBondContact O-N 3.14Å; T203-E206 VanDerWaalsContact O-N 3.13Å; T203-E206 WeakPolarHBondContact OG1-CG 3.14Å; T203-E206 PolarHBondContact OG1-N 3.16Å; T203-E206 VanDerWaalsContact OG1-N 3.15Å; E206-K208 VanDerWaalsContact C-N 3.35Å; E206-K208 PolarHBondContact O-N 3.18Å; E206-T209 WeakPolarHBondContact O-CB 3.34Å; E206-T209 PolarHBondContact O-N 3.38Å; E206-W210 PolarHBondContact O-N 3.44Å; E206-I247 HydrophobicContact CB-CD1 4.45Å; E206-V292 HydrophobicContact CB-CB 4.38Å; E206-V292 HydrophobicContact CB-CG2 3.98Å; E206-V292 HydrophobicContact CG-CB 4.21Å; E206-V292 HydrophobicContact CG-CG2 4.12Å
207	V	98.5	Very high	97.5	Very high	35 Å²	35	55.9 Å²	55.9	21%	0.212	27%	0.267	C	S	.	.	H	α-helix	trans	-62.3	-41.4	177.3	176.1	0	0	0	0	111.4	F202 T203 T209 W210 G211 D245 I247	F202-V207 HydrophobicContact CB-CG2 3.93Å; T203-V207 WeakPolarHBondContact O-CG2 3.49Å; T203-V207 PolarHBondContact O-N 2.88Å; V207-T209 PolarHBondContact O-N 2.97Å; V207-W210 WeakPolarHBondContact O-CB 3.43Å; V207-W210 PolarHBondContact O-N 2.88Å; V207-G211 PolarHBondContact O-N 3.22Å; V207-D245 VanDerWaalsContact CG1-O 3.27Å; V207-D245 WeakPolarHBondContact CG1-O 3.38Å; V207-I247 HydrophobicContact CG2-CD1 4.36Å; V207-I247 HydrophobicContact CG2-CG1 4.4Å
208	K	98.3	Very high	97.4	Very high	161 Å²	161	57.7 Å²	57.7	70%	0.7	28%	0.277	S	S	*	.	H	α-helix	trans	-63.8	-40.8	176.3	-175	-180	179.8	-176.7	0	112	E204 E205 E206 G211 V212	E204-K208 VanDerWaalsContact O-CB 3.23Å; E204-K208 WeakPolarHBondContact O-CB 3.4Å; E204-K208 PolarHBondContact O-N 3.24Å; E205-K208 PolarHBondContact O-N 3.43Å; E206-K208 VanDerWaalsContact C-N 3.35Å; E206-K208 PolarHBondContact O-N 3.18Å; K208-G211 PolarHBondContact O-N 3.45Å; K208-V212 WeakPolarHBondContact O-CG2 3.47Å; K208-V212 PolarHBondContact O-N 3Å; K208-V212 VanDerWaalsContact O-N 3.12Å
209	T	97.6	Very high	97.4	Very high	9 Å²	9	61.9 Å²	61.9	6%	0.055	29%	0.291	C	S	.	.	H	α-helix	trans	-62.6	-47.3	177.1	-60	0	0	0	0	110.5	E205 E206 V207 G211 V212 V213 V292 R293 S295 P298	E205-T209 WeakPolarHBondContact O-CB 3.3Å; E205-T209 PolarHBondContact O-N 3.15Å; E205-T209 PolarHBondContact O-OG1 2.85Å; E206-T209 WeakPolarHBondContact O-CB 3.34Å; E206-T209 PolarHBondContact O-N 3.38Å; V207-T209 PolarHBondContact O-N 2.97Å; T209-G211 PolarHBondContact O-N 3.25Å; T209-V212 PolarHBondContact O-N 3.43Å; T209-V213 PolarHBondContact O-N 2.88Å; T209-V292 HydrophobicContact CG2-CG1 4.07Å; T209-R293 HydrophobicContact CG2-CG 3.86Å; T209-S295 WeakPolarHBondContact OG1-CB 3.47Å; T209-P298 HydrophobicContact CG2-CB 4.1Å
210	W	97.9	Very high	97.4	Very high	0 Å²	0	56.7 Å²	56.7	0%	0	27%	0.268	C	S	.	.	H	α-helix	trans	-55	-49.4	171.8	164.7	-92.1	0	0	0	112.2	E206 V207 V212 V213 Y214 R243 N246 I247 P248 T306 C307 L310 L311	E206-W210 PolarHBondContact O-N 3.44Å; V207-W210 WeakPolarHBondContact O-CB 3.43Å; V207-W210 PolarHBondContact O-N 2.88Å; W210-V212 VanDerWaalsContact C-N 3.28Å; W210-V212 PolarHBondContact O-N 2.67Å; W210-V213 PolarHBondContact O-N 3.46Å; W210-Y214 AromaticContact CZ2-CD2 3.88Å; W210-Y214 HydrophobicContact CZ2-CD2 3.88Å; W210-Y214 WeakPolarHBondContact O-CB 3.39Å; W210-Y214 PolarHBondContact O-N 2.84Å; W210-R243 PolarHBondContact NE1-O 3.37Å; W210-N246 PolarHBondContact NE1-O 3.28Å; W210-I247 HydrophobicContact CB-CD1 3.8Å; W210-I247 HydrophobicContact CB-CG1 3.65Å; W210-I247 HydrophobicContact CD2-CG1 3.93Å; W210-I247 HydrophobicContact CE3-CG1 4.38Å; W210-I247 HydrophobicContact CE3-CG2 4.32Å; W210-I247 HydrophobicContact CG-CD1 4.26Å; W210-I247 HydrophobicContact CG-CG1 3.57Å; W210-P248 HydrophobicContact CZ2-CG 4.47Å; W210-T306 HydrophobicContact CE3-CG2 4.48Å; W210-C307 HydrophobicContact CE3-CB 4.36Å; W210-C307 HydrophobicContact CZ3-CB 4.47Å; W210-L310 HydrophobicContact CH2-CB 3.85Å; W210-L310 HydrophobicContact CH2-CD1 4.04Å; W210-L310 HydrophobicContact CZ3-CB 4.01Å; W210-L310 HydrophobicContact CZ3-CD1 3.99Å; W210-L311 HydrophobicContact CH2-CD1 4.06Å; W210-L311 HydrophobicContact CH2-CD2 3.66Å; W210-L311 HydrophobicContact CH2-CG 3.65Å; W210-L311 HydrophobicContact CZ2-CD2 4Å; W210-L311 HydrophobicContact CZ2-CG 4.35Å; W210-L311 HydrophobicContact CZ3-CD1 4.16Å; W210-L311 HydrophobicContact CZ3-CD2 4.5Å; W210-L311 HydrophobicContact CZ3-CG 4.01Å
211	G	98	Very high	97.4	Very high	5 Å²	5	56.8 Å²	56.8	5%	0.052	27%	0.268	C	S	.	.	H	α-helix	trans	-59.9	-36.3	-177.9	0	0	0	0	0	113.4	V207 K208 T209 R215 E244	V207-G211 PolarHBondContact O-N 3.22Å; K208-G211 PolarHBondContact O-N 3.45Å; T209-G211 PolarHBondContact O-N 3.25Å; G211-R215 VanDerWaalsContact O-CB 3.23Å; G211-R215 WeakPolarHBondContact O-CB 3.43Å; G211-R215 PolarHBondContact O-N 2.94Å; G211-E244 WeakPolarHBondContact CA-O 3.38Å
212	V	97	Very high	97.3	Very high	36 Å²	36	53.2 Å²	53.2	22%	0.218	26%	0.259	C	S	.	.	H	α-helix	trans	-61.4	-49.3	173	172.7	0	0	0	0	111	K208 T209 W210 E216 P298 L299	K208-V212 WeakPolarHBondContact O-CG2 3.47Å; K208-V212 PolarHBondContact O-N 3Å; K208-V212 VanDerWaalsContact O-N 3.12Å; T209-V212 PolarHBondContact O-N 3.43Å; W210-V212 VanDerWaalsContact C-N 3.28Å; W210-V212 PolarHBondContact O-N 2.67Å; V212-E216 WeakPolarHBondContact O-CG 3.42Å; V212-E216 PolarHBondContact O-N 3.15Å; V212-P298 HydrophobicContact CB-CB 4.44Å; V212-P298 HydrophobicContact CG1-CB 4.11Å; V212-P298 HydrophobicContact CG1-CG 4.06Å; V212-L299 HydrophobicContact CG1-CD2 3.8Å
213	V	95.9	Very high	97.2	Very high	1 Å²	1	55.5 Å²	55.5	1%	0.006	28%	0.276	C	S	.	.	H	α-helix	trans	-64.2	-48.4	-179.7	177.6	0	0	0	0	111.1	T209 W210 R215 E216 L217 P298 C307 L311	T209-V213 PolarHBondContact O-N 2.88Å; W210-V213 PolarHBondContact O-N 3.46Å; V213-R215 VanDerWaalsContact C-N 3.34Å; V213-R215 PolarHBondContact O-N 3.43Å; V213-E216 PolarHBondContact O-N 3.36Å; V213-L217 HydrophobicContact CG1-CD1 3.57Å; V213-L217 HydrophobicContact CG1-CG 4.35Å; V213-L217 WeakPolarHBondContact O-CB 3.47Å; V213-L217 WeakPolarHBondContact O-CG 3.5Å; V213-L217 PolarHBondContact O-N 2.86Å; V213-P298 HydrophobicContact CG2-CB 4.44Å; V213-P298 WeakPolarHBondContact CG2-O 3.35Å; V213-C307 HydrophobicContact CG1-CB 4.12Å; V213-L311 HydrophobicContact CG1-CD1 4.17Å
214	Y	97.3	Very high	97.1	Very high	29 Å²	29	54.2 Å²	54.2	11%	0.114	27%	0.266	C	S	.	.	H	α-helix	trans	-53.9	-50.9	178.4	-176.4	-85.5	0	0	0	111.1	W210 N218 C242 E244 L311	W210-Y214 AromaticContact CZ2-CD2 3.88Å; W210-Y214 HydrophobicContact CZ2-CD2 3.88Å; W210-Y214 WeakPolarHBondContact O-CB 3.39Å; W210-Y214 PolarHBondContact O-N 2.84Å; Y214-N218 WeakPolarHBondContact CD1-ND2 3.43Å; Y214-N218 VanDerWaalsContact CE1-ND2 3.27Å; Y214-N218 WeakPolarHBondContact CE1-ND2 3.21Å; Y214-N218 WeakPolarHBondContact O-CB 3.49Å; Y214-N218 PolarHBondContact O-N 3.23Å; Y214-N218 PolarHBondContact O-ND2 3.38Å; Y214-C242 PolarHBondContact OH-O 2.79Å; Y214-E244 HydrophobicContact CD1-CB 3.74Å; Y214-E244 HydrophobicContact CD1-CG 4.26Å; Y214-E244 HydrophobicContact CE1-CB 4.15Å; Y214-E244 HydrophobicContact CG-CB 4.5Å; Y214-L311 HydrophobicContact CD2-CD1 4.5Å; Y214-L311 HydrophobicContact CD2-CD2 3.88Å; Y214-L311 HydrophobicContact CE2-CD2 4.25Å
215	R	97.4	Very high	97.1	Very high	98 Å²	98	45.7 Å²	45.7	37%	0.37	23%	0.226	S	C	.	.	H	α-helix	trans	-63.7	-45.5	-177.4	-178.4	174.8	58.7	-130.1	-2.7	112.6	G211 V213 K219 E244	G211-R215 VanDerWaalsContact O-CB 3.23Å; G211-R215 WeakPolarHBondContact O-CB 3.43Å; G211-R215 PolarHBondContact O-N 2.94Å; V213-R215 VanDerWaalsContact C-N 3.34Å; V213-R215 PolarHBondContact O-N 3.43Å; R215-K219 WeakPolarHBondContact O-CG 3.23Å; R215-K219 PolarHBondContact O-N 3.13Å; R215-E244 HydrophobicContact CB-CG 4.48Å; R215-E244 IonicContact CZ-OE1 3.2Å; R215-E244 IonicContact NE-OE1 2.85Å; R215-E244 IonicContact NH1-OE1 3.65Å; R215-E244 PolarHBondContact NH1-OE1 3.4Å
216	E	95.9	Very high	97.1	Very high	56 Å²	56	40.3 Å²	40.3	26%	0.262	20%	0.201	S	C	.	.	H	α-helix	trans	-69.9	-37.6	-177.7	-67.3	-47.7	128.7	0	0	112.5	V212 V213 K219 L299 I374	V212-E216 WeakPolarHBondContact O-CG 3.42Å; V212-E216 PolarHBondContact O-N 3.15Å; V213-E216 PolarHBondContact O-N 3.36Å; E216-K219 PolarHBondContact O-N 2.65Å; E216-K219 IonicContact OE1-NZ 3.5Å; E216-K219 PolarHBondContact OE1-NZ 3.02Å; E216-K219 IonicContact OE2-NZ 3.2Å; E216-K219 PolarHBondContact OE2-NZ 3.27Å; E216-L299 HydrophobicContact CG-CD2 4.49Å; E216-I374 HydrophobicContact CB-CD1 3.44Å; E216-I374 VanDerWaalsContact CB-CD1 3.44Å; E216-I374 HydrophobicContact CB-CG1 4.09Å; E216-I374 HydrophobicContact CG-CD1 4.22Å
217	L	95.8	Very high	97	Very high	0 Å²	0	47 Å²	47	0%	0	23%	0.225	C	C	.	.	H	α-helix	trans	-69.9	-39.8	176.5	-70.9	170.8	0	0	0	112.4	V213 K219 L220 Y221 L311 L371 I374	V213-L217 HydrophobicContact CG1-CD1 3.57Å; V213-L217 HydrophobicContact CG1-CG 4.35Å; V213-L217 WeakPolarHBondContact O-CB 3.47Å; V213-L217 WeakPolarHBondContact O-CG 3.5Å; V213-L217 PolarHBondContact O-N 2.86Å; L217-K219 PolarHBondContact O-N 3.42Å; L217-L220 WeakPolarHBondContact O-CA 3.33Å; L217-L220 PolarHBondContact O-N 2.94Å; L217-Y221 HydrophobicContact CB-CE1 3.92Å; L217-Y221 HydrophobicContact CB-CE2 3.93Å; L217-Y221 VanDerWaalsContact CB-CZ 3.47Å; L217-Y221 WeakPolarHBondContact CB-OH 3.45Å; L217-Y221 WeakPolarHBondContact CD1-OH 3.35Å; L217-Y221 HydrophobicContact CD2-CE1 4.47Å; L217-Y221 PolarHBondContact O-N 3.41Å; L217-L311 HydrophobicContact CD1-CD1 3.99Å; L217-L371 WeakPolarHBondContact CD1-O 3.47Å; L217-L371 WeakPolarHBondContact CD2-O 3.21Å; L217-I374 HydrophobicContact CD2-CG1 3.6Å; L217-I374 HydrophobicContact CG-CG1 3.96Å
218	N	96.5	Very high	96.9	Very high	48 Å²	48	46.8 Å²	46.8	26%	0.257	22%	0.222	S	C	.	.	H	α-helix	trans	-61.7	-25.5	177.5	-87.7	-84.2	0	0	0	113.6	Y214 L220 Y221 P222	Y214-N218 WeakPolarHBondContact CD1-ND2 3.43Å; Y214-N218 VanDerWaalsContact CE1-ND2 3.27Å; Y214-N218 WeakPolarHBondContact CE1-ND2 3.21Å; Y214-N218 WeakPolarHBondContact O-CB 3.49Å; Y214-N218 PolarHBondContact O-N 3.23Å; Y214-N218 PolarHBondContact O-ND2 3.38Å; N218-L220 VanDerWaalsContact C-N 3.29Å; N218-L220 PolarHBondContact O-N 3.46Å; N218-Y221 HydrophobicContact CB-CD2 4.41Å; N218-P222 WeakPolarHBondContact O-CD 3.21Å
219	K	97	Very high	96.8	Very high	126 Å²	126	39.1 Å²	39.1	55%	0.548	19%	0.189	S	C	.	.	H	α-helix	trans	-67.4	-29	170.9	-66.5	169.3	-172.1	170.4	0	112.7	R215 E216 L217	R215-K219 WeakPolarHBondContact O-CG 3.23Å; R215-K219 PolarHBondContact O-N 3.13Å; E216-K219 PolarHBondContact O-N 2.65Å; E216-K219 IonicContact OE1-NZ 3.5Å; E216-K219 PolarHBondContact OE1-NZ 3.02Å; E216-K219 IonicContact OE2-NZ 3.2Å; E216-K219 PolarHBondContact OE2-NZ 3.27Å; L217-K219 PolarHBondContact O-N 3.42Å
220	L	96.4	Very high	96.8	Very high	19 Å²	19	41.6 Å²	41.6	10%	0.099	20%	0.201	C	C	.	.	H	α-helix	trans	-92.8	-33.5	-175.2	-61.4	-179	0	0	0	113.2	L217 N218 P222 T223 H224 I374 L377 K378	L217-L220 WeakPolarHBondContact O-CA 3.33Å; L217-L220 PolarHBondContact O-N 2.94Å; N218-L220 VanDerWaalsContact C-N 3.29Å; N218-L220 PolarHBondContact O-N 3.46Å; L220-P222 VanDerWaalsContact C-CD 3.42Å; L220-T223 PolarHBondContact O-N 3.1Å; L220-T223 VanDerWaalsContact O-N 3.15Å; L220-T223 PolarHBondContact O-OG1 3.34Å; L220-T223 VanDerWaalsContact O-OG1 3.13Å; L220-H224 WeakPolarHBondContact O-CB 3.35Å; L220-H224 PolarHBondContact O-N 3.43Å; L220-H224 PolarHBondContact O-ND1 3.34Å; L220-I374 HydrophobicContact CD1-CB 4.49Å; L220-I374 HydrophobicContact CD1-CG2 3.98Å; L220-L377 HydrophobicContact CB-CD2 3.97Å; L220-L377 HydrophobicContact CD1-CD2 4.11Å; L220-K378 HydrophobicContact CD1-CG 4.16Å; L220-K378 HydrophobicContact CD2-CG 4.44Å
221	Y	97.5	Very high	96.8	Very high	2 Å²	2	47.3 Å²	47.3	1%	0.008	23%	0.226	C	C	.	.	H	α-helix	trans	-51.6	-44.1	-173.4	-62.7	-36.1	0	0	0	115.2	L217 N218 T223 H224 A225 Y229 L233 L371	L217-Y221 HydrophobicContact CB-CE1 3.92Å; L217-Y221 HydrophobicContact CB-CE2 3.93Å; L217-Y221 VanDerWaalsContact CB-CZ 3.47Å; L217-Y221 WeakPolarHBondContact CB-OH 3.45Å; L217-Y221 WeakPolarHBondContact CD1-OH 3.35Å; L217-Y221 HydrophobicContact CD2-CE1 4.47Å; L217-Y221 PolarHBondContact O-N 3.41Å; N218-Y221 HydrophobicContact CB-CD2 4.41Å; Y221-T223 PolarHBondContact O-N 3.42Å; Y221-H224 PolarHBondContact O-N 2.9Å; Y221-A225 HydrophobicContact CD1-CB 4.17Å; Y221-A225 WeakPolarHBondContact O-CB 3.43Å; Y221-A225 PolarHBondContact O-N 2.84Å; Y221-Y229 AromaticContact CD1-CE1 3.85Å; Y221-Y229 HydrophobicContact CD1-CE1 3.85Å; Y221-Y229 AromaticContact CD2-CE1 3.91Å; Y221-Y229 HydrophobicContact CD2-CE1 3.91Å; Y221-Y229 AromaticContact CE1-CE1 3.94Å; Y221-Y229 HydrophobicContact CE1-CE1 3.94Å; Y221-Y229 AromaticContact CE1-CZ 3.97Å; Y221-Y229 AromaticContact CE2-CE1 4Å; Y221-Y229 HydrophobicContact CE2-CE1 4Å; Y221-Y229 WeakPolarHBondContact CE2-OH 3.3Å; Y221-Y229 AromaticContact CG-CE1 3.84Å; Y221-Y229 HydrophobicContact CG-CE1 3.84Å; Y221-Y229 AromaticContact CZ-CE1 3.99Å; Y221-Y229 AromaticContact CZ-CZ 3.84Å; Y221-Y229 PolarHBondContact OH-OH 3.03Å; Y221-Y229 VanDerWaalsContact OH-OH 3.04Å; Y221-L233 HydrophobicContact CD2-CD2 3.58Å; Y221-L233 HydrophobicContact CE2-CD2 3.86Å; Y221-L371 HydrophobicContact CD1-CD2 4.19Å; Y221-L371 HydrophobicContact CE1-CB 4.5Å; Y221-L371 HydrophobicContact CE1-CD2 4.12Å; Y221-L371 WeakPolarHBondContact CE1-O 3.31Å; Y221-L371 PolarHBondContact OH-O 3.17Å; Y221-L371 VanDerWaalsContact OH-O 3.07Å
222	P	96.3	Very high	96.8	Very high	87 Å²	87	47.1 Å²	47.1	57%	0.565	22%	0.224	S	C	*	.	H	α-helix	trans	-57	-29	-176.8	-27.2	36.2	0	0	0	114.4	N218 L220	N218-P222 WeakPolarHBondContact O-CD 3.21Å; L220-P222 VanDerWaalsContact C-CD 3.42Å
223	T	94.9	Very high	96.8	Very high	83 Å²	83	46 Å²	46	51%	0.509	22%	0.216	S	C	.	.	H	α-helix	trans	-104.3	-23.1	-178.3	49.9	0	0	0	0	113.4	L220 Y221 R364	L220-T223 PolarHBondContact O-N 3.1Å; L220-T223 VanDerWaalsContact O-N 3.15Å; L220-T223 PolarHBondContact O-OG1 3.34Å; L220-T223 VanDerWaalsContact O-OG1 3.13Å; Y221-T223 PolarHBondContact O-N 3.42Å; T223-R364 PolarHBondContact O-NH1 3.29Å
224	H	96.8	Very high	96.8	Very high	34 Å²	34	49.6 Å²	49.6	16%	0.157	24%	0.24	C	C	.	.	H	α-helix	trans	-108.2	-34.8	-171.2	-64.3	68.5	0	0	0	113.7	L220 Y221 R364 A365 L377 L381	L220-H224 WeakPolarHBondContact O-CB 3.35Å; L220-H224 PolarHBondContact O-N 3.43Å; L220-H224 PolarHBondContact O-ND1 3.34Å; Y221-H224 PolarHBondContact O-N 2.9Å; H224-R364 CarbonylContact O-C 3.54Å; H224-R364 WeakPolarHBondContact O-CA 3.45Å; H224-A365 PolarHBondContact O-N 3.48Å; H224-L377 HydrophobicContact CB-CD1 3.88Å; H224-L377 HydrophobicContact CB-CD2 3.85Å; H224-L377 HydrophobicContact CB-CG 3.81Å; H224-L381 HydrophobicContact CB-CD1 3.68Å; H224-L381 WeakPolarHBondContact O-CD1 3.13Å
225	A	97.7	Very high	96.8	Very high	1 Å²	1	50.4 Å²	50.4	1%	0.008	25%	0.246	C	C	.	.	B	Isolated β-bridge	trans	-84.2	150.7	-173.1	0	0	0	0	0	112.6	Y221 Y229 L230 R364 L371	Y221-A225 HydrophobicContact CD1-CB 4.17Å; Y221-A225 WeakPolarHBondContact O-CB 3.43Å; Y221-A225 PolarHBondContact O-N 2.84Å; A225-Y229 HydrophobicContact CB-CD1 3.58Å; A225-Y229 HydrophobicContact CB-CE1 4.23Å; A225-Y229 HydrophobicContact CB-CG 4.1Å; A225-L230 HydrophobicContact CB-CD2 4.25Å; A225-L230 HydrophobicContact CB-CG 4.27Å; A225-R364 WeakPolarHBondContact O-CD 3.35Å; A225-L371 HydrophobicContact CB-CD2 3.64Å
226	C	97	Very high	96.7	Very high	0 Å²	0	46 Å²	46	0%	0	23%	0.23	C	C	.	.			trans	-65.8	157.2	174.9	66.7	0	0	0	0	112.6	E228 Y229 L230 C357 R364 A365	C226-E228 VanDerWaalsContact C-N 3.29Å; C226-E228 PolarHBondContact O-N 3.04Å; C226-Y229 WeakPolarHBondContact O-CB 3.44Å; C226-Y229 PolarHBondContact O-N 2.95Å; C226-L230 PolarHBondContact O-N 2.99Å; C226-L230 VanDerWaalsContact O-N 3.11Å; C226-C357 VanDerWaalsContact CB-SG 3.54Å; C226-R364 HydrophobicContact CB-CB 4.11Å; C226-A365 PolarHBondContact N-O 3.27Å
227	R	96.6	Very high	96.6	Very high	157 Å²	157	45.3 Å²	45.3	59%	0.592	23%	0.231	S	C	*	.	H	α-helix	trans	-58.1	-38.1	-177.4	-177.7	176.4	61.3	-179.7	-1.1	113.3	Y229 L230 K231	R227-Y229 VanDerWaalsContact C-N 3.35Å; R227-L230 PolarHBondContact O-N 3.15Å; R227-K231 WeakPolarHBondContact O-CB 3.42Å; R227-K231 PolarHBondContact O-N 3.34Å
228	E	96.5	Very high	96.6	Very high	31 Å²	31	52.1 Å²	52.1	15%	0.145	26%	0.261	C	S	.	.	H	α-helix	trans	-65.5	-40.4	-179.9	-65.2	76.7	-167.2	0	0	111.1	C226 K231 N232 L316 E319 Q359 F415	C226-E228 VanDerWaalsContact C-N 3.29Å; C226-E228 PolarHBondContact O-N 3.04Å; E228-K231 PolarHBondContact O-N 3.12Å; E228-N232 PolarHBondContact O-N 3.19Å; E228-N232 PolarHBondContact O-ND2 2.7Å; E228-L316 HydrophobicContact CB-CD2 4.27Å; E228-E319 HydrophobicContact CB-CB 4.48Å; E228-E319 HydrophobicContact CB-CG 3.96Å; E228-E319 HydrophobicContact CG-CG 3.96Å; E228-Q359 PolarHBondContact OE1-NE2 3.14Å; E228-Q359 PolarHBondContact OE2-NE2 2.65Å; E228-F415 HydrophobicContact CB-CE2 3.98Å; E228-F415 HydrophobicContact CG-CD2 4.35Å; E228-F415 HydrophobicContact CG-CE2 3.74Å
229	Y	97.8	Very high	96.6	Very high	0 Å²	0	56 Å²	56	0%	0	27%	0.273	C	S	.	.	H	α-helix	trans	-60.6	-51.1	172.1	-177.5	-84.9	0	0	0	111.3	Y221 A225 C226 R227 K231 N232 L233 L311 P315 L316 L371	Y221-Y229 AromaticContact CD1-CE1 3.85Å; Y221-Y229 HydrophobicContact CD1-CE1 3.85Å; Y221-Y229 AromaticContact CD2-CE1 3.91Å; Y221-Y229 HydrophobicContact CD2-CE1 3.91Å; Y221-Y229 AromaticContact CE1-CE1 3.94Å; Y221-Y229 HydrophobicContact CE1-CE1 3.94Å; Y221-Y229 AromaticContact CE1-CZ 3.97Å; Y221-Y229 AromaticContact CE2-CE1 4Å; Y221-Y229 HydrophobicContact CE2-CE1 4Å; Y221-Y229 WeakPolarHBondContact CE2-OH 3.3Å; Y221-Y229 AromaticContact CG-CE1 3.84Å; Y221-Y229 HydrophobicContact CG-CE1 3.84Å; Y221-Y229 AromaticContact CZ-CE1 3.99Å; Y221-Y229 AromaticContact CZ-CZ 3.84Å; Y221-Y229 PolarHBondContact OH-OH 3.03Å; Y221-Y229 VanDerWaalsContact OH-OH 3.04Å; A225-Y229 HydrophobicContact CB-CD1 3.58Å; A225-Y229 HydrophobicContact CB-CE1 4.23Å; A225-Y229 HydrophobicContact CB-CG 4.1Å; C226-Y229 WeakPolarHBondContact O-CB 3.44Å; C226-Y229 PolarHBondContact O-N 2.95Å; R227-Y229 VanDerWaalsContact C-N 3.35Å; Y229-K231 VanDerWaalsContact C-N 3.26Å; Y229-K231 PolarHBondContact O-N 2.92Å; Y229-N232 PolarHBondContact O-N 3.12Å; Y229-L233 HydrophobicContact CE1-CB 4.24Å; Y229-L233 HydrophobicContact CE1-CD1 4.46Å; Y229-L233 HydrophobicContact CE1-CD2 3.97Å; Y229-L233 HydrophobicContact CE1-CG 4.46Å; Y229-L233 PolarHBondContact O-N 2.99Å; Y229-L311 WeakPolarHBondContact CE2-O 3.28Å; Y229-L311 VanDerWaalsContact CZ-O 3.31Å; Y229-L311 PolarHBondContact OH-O 3.48Å; Y229-P315 HydrophobicContact CD2-CB 3.53Å; Y229-P315 HydrophobicContact CD2-CG 3.95Å; Y229-P315 HydrophobicContact CE2-CB 3.57Å; Y229-P315 HydrophobicContact CE2-CG 3.41Å; Y229-P315 VanDerWaalsContact CE2-CG 3.41Å; Y229-P315 HydrophobicContact CG-CB 4.2Å; Y229-L316 HydrophobicContact CD2-CG 4.33Å; Y229-L371 HydrophobicContact CD2-CD1 3.45Å; Y229-L371 VanDerWaalsContact CD2-CD1 3.45Å; Y229-L371 HydrophobicContact CD2-CD2 4.34Å; Y229-L371 HydrophobicContact CD2-CG 4.42Å; Y229-L371 HydrophobicContact CE1-CD2 4.48Å; Y229-L371 HydrophobicContact CE2-CB 4.26Å; Y229-L371 HydrophobicContact CE2-CD1 3.63Å; Y229-L371 HydrophobicContact CE2-CD2 4.3Å; Y229-L371 HydrophobicContact CE2-CG 4.29Å; Y229-L371 HydrophobicContact CG-CD1 4.17Å; Y229-L371 HydrophobicContact CG-CD2 4.45Å
230	L	97.4	Very high	96.6	Very high	61 Å²	61	50.1 Å²	50.1	32%	0.319	25%	0.247	S	C	.	.	H	α-helix	trans	-62.7	-30.9	-179.6	-67.9	176.2	0	0	0	113.3	A225 C226 R227 P234	A225-L230 HydrophobicContact CB-CD2 4.25Å; A225-L230 HydrophobicContact CB-CG 4.27Å; C226-L230 PolarHBondContact O-N 2.99Å; C226-L230 VanDerWaalsContact O-N 3.11Å; R227-L230 PolarHBondContact O-N 3.15Å; L230-P234 WeakPolarHBondContact O-CD 3.42Å
231	K	97.4	Very high	96.5	Very high	120 Å²	120	54.1 Å²	54.1	52%	0.522	27%	0.266	S	S	.	.	H	α-helix	trans	-68.5	-38.3	173.8	174.6	-170.6	164.8	-156	0	112	R227 E228 Y229 E319	R227-K231 WeakPolarHBondContact O-CB 3.42Å; R227-K231 PolarHBondContact O-N 3.34Å; E228-K231 PolarHBondContact O-N 3.12Å; Y229-K231 VanDerWaalsContact C-N 3.26Å; Y229-K231 PolarHBondContact O-N 2.92Å; K231-E319 IonicContact NZ-OE1 3.83Å; K231-E319 IonicContact NZ-OE2 2.76Å; K231-E319 PolarHBondContact NZ-OE2 3.13Å
232	N	97.7	Very high	96.5	Very high	0 Å²	0	54.1 Å²	54.1	0%	0	27%	0.266	C	S	.	.	H	α-helix	trans	-91.2	-28.7	-173.1	-70.9	-35.5	0	0	0	113.9	E228 Y229 L235 L236 R260 P315 A318 E319	E228-N232 PolarHBondContact O-N 3.19Å; E228-N232 PolarHBondContact O-ND2 2.7Å; Y229-N232 PolarHBondContact O-N 3.12Å; N232-L235 VanDerWaalsContact O-CB 3.31Å; N232-L235 WeakPolarHBondContact O-CB 3.22Å; N232-L235 PolarHBondContact O-N 3.45Å; N232-L236 PolarHBondContact O-N 2.83Å; N232-R260 PolarHBondContact OD1-NH2 3.49Å; N232-P315 HydrophobicContact CB-CB 4.32Å; N232-P315 WeakPolarHBondContact CB-O 3.45Å; N232-P315 PolarHBondContact ND2-O 3.17Å; N232-A318 HydrophobicContact CB-CB 4.31Å; N232-E319 PolarHBondContact ND2-OE2 2.93Å
233	L	96.2	Very high	96.5	Very high	12 Å²	12	54.2 Å²	54.2	6%	0.063	26%	0.255	C	S	.	.	H	α-helix	trans	-54.6	-47.3	-179.1	-179.7	70.3	0	0	0	113.7	Y221 Y229 L235 L236 P315	Y221-L233 HydrophobicContact CD2-CD2 3.58Å; Y221-L233 HydrophobicContact CE2-CD2 3.86Å; Y229-L233 HydrophobicContact CE1-CB 4.24Å; Y229-L233 HydrophobicContact CE1-CD1 4.46Å; Y229-L233 HydrophobicContact CE1-CD2 3.97Å; Y229-L233 HydrophobicContact CE1-CG 4.46Å; Y229-L233 PolarHBondContact O-N 2.99Å; L233-L235 PolarHBondContact O-N 3.46Å; L233-L235 VanDerWaalsContact O-N 3.14Å; L233-L236 WeakPolarHBondContact O-CB 3.41Å; L233-L236 PolarHBondContact O-N 3.12Å; L233-P315 HydrophobicContact CD1-CG 4.35Å
234	P	96.7	Very high	96.6	Very high	77 Å²	77	54 Å²	54	50%	0.5	25%	0.248	S	C	.	.	H	α-helix	trans	-62.8	-23.6	178.8	-23.1	34.8	0	0	0	113.8	L230 L236 S237 K238	L230-P234 WeakPolarHBondContact O-CD 3.42Å; P234-L236 VanDerWaalsContact C-N 3.34Å; P234-S237 PolarHBondContact O-N 2.88Å; P234-K238 PolarHBondContact O-N 3.3Å; P234-K238 VanDerWaalsContact O-N 3.14Å
235	L	97.1	Very high	96.7	Very high	47 Å²	47	57.5 Å²	57.5	25%	0.246	27%	0.268	C	S	.	.	H	α-helix	trans	-73.1	-30.9	178.7	-53.3	175.6	0	0	0	110.6	N232 L233 K238 Y239 F256	N232-L235 VanDerWaalsContact O-CB 3.31Å; N232-L235 WeakPolarHBondContact O-CB 3.22Å; N232-L235 PolarHBondContact O-N 3.45Å; L233-L235 PolarHBondContact O-N 3.46Å; L233-L235 VanDerWaalsContact O-N 3.14Å; L235-K238 PolarHBondContact O-N 3.18Å; L235-Y239 HydrophobicContact CB-CD2 4.16Å; L235-Y239 HydrophobicContact CB-CE2 4.41Å; L235-Y239 HydrophobicContact CD2-CE2 4.17Å; L235-Y239 WeakPolarHBondContact O-CB 3.38Å; L235-Y239 WeakPolarHBondContact O-CD2 3.12Å; L235-Y239 PolarHBondContact O-N 3.12Å; L235-F256 HydrophobicContact CB-CE2 4.05Å; L235-F256 HydrophobicContact CB-CZ 3.93Å
236	L	95.4	Very high	96.7	Very high	5 Å²	5	59.7 Å²	59.7	3%	0.026	28%	0.28	C	S	.	.	H	α-helix	trans	-66	-39.2	172	-61	-177.3	0	0	0	111.8	N232 L233 P234 K238 C240 E241 C242 F256 V314 P315	N232-L236 PolarHBondContact O-N 2.83Å; L233-L236 WeakPolarHBondContact O-CB 3.41Å; L233-L236 PolarHBondContact O-N 3.12Å; P234-L236 VanDerWaalsContact C-N 3.34Å; L236-K238 VanDerWaalsContact C-N 3.28Å; L236-K238 PolarHBondContact O-N 3.13Å; L236-C240 CarbonylContact O-C 3.6Å; L236-C240 VanDerWaalsContact O-CA 3.31Å; L236-C240 WeakPolarHBondContact O-CA 3.24Å; L236-C240 VanDerWaalsContact O-CB 3.3Å; L236-C240 WeakPolarHBondContact O-CB 3.42Å; L236-C240 PolarHBondContact O-N 3.44Å; L236-E241 PolarHBondContact O-N 3Å; L236-C242 HydrophobicContact CB-CB 3.77Å; L236-C242 PolarHBondContact O-N 3.3Å; L236-F256 HydrophobicContact CD2-CD1 3.63Å; L236-F256 HydrophobicContact CD2-CE1 3.33Å; L236-F256 HydrophobicContact CD2-CZ 4.02Å; L236-F256 HydrophobicContact CG-CE1 4.47Å; L236-V314 HydrophobicContact CD1-CB 4.28Å; L236-V314 HydrophobicContact CD1-CG1 3.71Å; L236-V314 HydrophobicContact CD2-CG1 3.59Å; L236-V314 HydrophobicContact CG-CG1 4.31Å; L236-P315 HydrophobicContact CD1-CG 3.71Å
237	S	93.9	Very high	96.8	Very high	42 Å²	42	59.8 Å²	59.8	29%	0.294	28%	0.28	S	S	.	.	H	α-helix	trans	-63.5	-36.8	173.4	-58.2	0	0	0	0	112	P234 C242	P234-S237 PolarHBondContact O-N 2.88Å; S237-C242 WeakPolarHBondContact CA-O 3.3Å; S237-C242 VanDerWaalsContact CB-O 3.3Å; S237-C242 WeakPolarHBondContact CB-O 3.33Å; S237-C242 PolarHBondContact OG-O 3.35Å
238	K	95.7	Very high	96.8	Very high	143 Å²	143	52.5 Å²	52.5	62%	0.622	25%	0.253	S	S	*	.	H	α-helix	trans	-75.4	-41.6	-178.3	-174.9	177.6	177	-167.2	0	113.9	P234 L235 L236	P234-K238 PolarHBondContact O-N 3.3Å; P234-K238 VanDerWaalsContact O-N 3.14Å; L235-K238 PolarHBondContact O-N 3.18Å; L236-K238 VanDerWaalsContact C-N 3.28Å; L236-K238 PolarHBondContact O-N 3.13Å
239	Y	96.6	Very high	96.9	Very high	130 Å²	130	52 Å²	52	51%	0.51	25%	0.251	S	S	.	.	H	α-helix	trans	-110.3	-20.4	-169.5	-63.1	-72.4	0	0	0	114.1	L235 F256	L235-Y239 HydrophobicContact CB-CD2 4.16Å; L235-Y239 HydrophobicContact CB-CE2 4.41Å; L235-Y239 HydrophobicContact CD2-CE2 4.17Å; L235-Y239 WeakPolarHBondContact O-CB 3.38Å; L235-Y239 WeakPolarHBondContact O-CD2 3.12Å; L235-Y239 PolarHBondContact O-N 3.12Å; Y239-F256 HydrophobicContact CD2-CD2 4.21Å; Y239-F256 AromaticContact CD2-CE2 3.94Å; Y239-F256 HydrophobicContact CD2-CE2 3.94Å; Y239-F256 HydrophobicContact CG-CD2 4.28Å; Y239-F256 HydrophobicContact CG-CE2 4.47Å
240	C	96.7	Very high	96.9	Very high	1 Å²	1	52.2 Å²	52.2	1%	0.007	25%	0.252	C	S	.	.	S	Bend	trans	-121.4	9.8	-176.2	-51.7	0	0	0	0	112.4	L236 C242 P248 V253 F256	L236-C240 CarbonylContact O-C 3.6Å; L236-C240 VanDerWaalsContact O-CA 3.31Å; L236-C240 WeakPolarHBondContact O-CA 3.24Å; L236-C240 VanDerWaalsContact O-CB 3.3Å; L236-C240 WeakPolarHBondContact O-CB 3.42Å; L236-C240 PolarHBondContact O-N 3.44Å; C240-C242 PolarHBondContact O-N 3.35Å; C240-C242 VanDerWaalsContact O-N 3.1Å; C240-P248 HydrophobicContact CB-CB 4.47Å; C240-P248 WeakPolarHBondContact O-CB 3.49Å; C240-V253 HydrophobicContact CB-CG2 3.95Å; C240-F256 VanDerWaalsContact SG-CB 3.51Å
241	E	95.3	Very high	97	Very high	104 Å²	104	52 Å²	52	49%	0.486	25%	0.249	S	C	.	.			trans	54.4	31	-178.7	-63.3	-158.4	-156.6	0	0	114.7	L236 R243 N246	L236-E241 PolarHBondContact O-N 3Å; E241-R243 PolarHBondContact O-N 2.74Å; E241-R243 IonicContact OE2-CZ 2.86Å; E241-R243 IonicContact OE2-NH1 2.71Å; E241-R243 PolarHBondContact OE2-NH1 3.3Å; E241-R243 IonicContact OE2-NH2 2.68Å; E241-R243 PolarHBondContact OE2-NH2 2.86Å; E241-N246 WeakPolarHBondContact CB-ND2 3.4Å; E241-N246 PolarHBondContact O-ND2 3.29Å
242	C	96.4	Very high	97	Very high	1 Å²	1	48.6 Å²	48.6	1%	0.007	24%	0.237	C	C	.	.			trans	-72.2	96.9	177.3	-170.5	0	0	0	0	110.9	Y214 L236 S237 C240 P248	Y214-C242 PolarHBondContact OH-O 2.79Å; L236-C242 HydrophobicContact CB-CB 3.77Å; L236-C242 PolarHBondContact O-N 3.3Å; S237-C242 WeakPolarHBondContact CA-O 3.3Å; S237-C242 VanDerWaalsContact CB-O 3.3Å; S237-C242 WeakPolarHBondContact CB-O 3.33Å; S237-C242 PolarHBondContact OG-O 3.35Å; C240-C242 PolarHBondContact O-N 3.35Å; C240-C242 VanDerWaalsContact O-N 3.1Å; C242-P248 HydrophobicContact CB-CG 3.52Å
243	R	97.1	Very high	97.1	Very high	89 Å²	89	48.7 Å²	48.7	34%	0.336	24%	0.237	S	C	.	.	B	Isolated β-bridge	trans	-133.7	166.4	-176.3	-58.7	-172.7	-55.9	-90.9	-1.4	110.3	W210 E241 D245 N246	W210-R243 PolarHBondContact NE1-O 3.37Å; E241-R243 PolarHBondContact O-N 2.74Å; E241-R243 IonicContact OE2-CZ 2.86Å; E241-R243 IonicContact OE2-NH1 2.71Å; E241-R243 PolarHBondContact OE2-NH1 3.3Å; E241-R243 IonicContact OE2-NH2 2.68Å; E241-R243 PolarHBondContact OE2-NH2 2.86Å; R243-D245 WeakPolarHBondContact CB-OD1 3.05Å; R243-D245 IonicContact CZ-OD1 3.98Å; R243-D245 IonicContact NE-OD1 2.67Å; R243-D245 PolarHBondContact NE-OD1 2.63Å; R243-D245 IonicContact NH2-OD1 2.89Å; R243-D245 PolarHBondContact O-N 2.81Å; R243-N246 HydrophobicContact CB-CB 4.45Å; R243-N246 PolarHBondContact N-O 3.47Å; R243-N246 PolarHBondContact O-N 3.42Å
244	E	97.6	Very high	97.2	Very high	80 Å²	80	48.7 Å²	48.7	37%	0.374	24%	0.238	S	C	.	.	T	Hydrogen-bonded Turn	trans	-60.2	-31.8	176.2	-172.1	175.4	154.1	0	0	112.5	G211 Y214 R215	G211-E244 WeakPolarHBondContact CA-O 3.38Å; Y214-E244 HydrophobicContact CD1-CB 3.74Å; Y214-E244 HydrophobicContact CD1-CG 4.26Å; Y214-E244 HydrophobicContact CE1-CB 4.15Å; Y214-E244 HydrophobicContact CG-CB 4.5Å; R215-E244 HydrophobicContact CB-CG 4.48Å; R215-E244 IonicContact CZ-OE1 3.2Å; R215-E244 IonicContact NE-OE1 2.85Å; R215-E244 IonicContact NH1-OE1 3.65Å; R215-E244 PolarHBondContact NH1-OE1 3.4Å
245	D	97.8	Very high	97.3	Very high	107 Å²	107	51.6 Å²	51.6	57%	0.572	24%	0.239	S	C	*	.	T	Hydrogen-bonded Turn	trans	-98.1	5.2	-176	67.3	-20.1	0	0	0	114.1	V207 R243	V207-D245 VanDerWaalsContact CG1-O 3.27Å; V207-D245 WeakPolarHBondContact CG1-O 3.38Å; R243-D245 WeakPolarHBondContact CB-OD1 3.05Å; R243-D245 IonicContact CZ-OD1 3.98Å; R243-D245 IonicContact NE-OD1 2.67Å; R243-D245 PolarHBondContact NE-OD1 2.63Å; R243-D245 IonicContact NH2-OD1 2.89Å; R243-D245 PolarHBondContact O-N 2.81Å
246	N	97.9	Very high	97.3	Very high	47 Å²	47	49.9 Å²	49.9	25%	0.251	23%	0.229	S	C	.	.	B	Isolated β-bridge	trans	-149.9	127.6	-175.8	-174.5	65.1	0	0	0	112.5	W210 E241 R243 P248	W210-N246 PolarHBondContact NE1-O 3.28Å; E241-N246 WeakPolarHBondContact CB-ND2 3.4Å; E241-N246 PolarHBondContact O-ND2 3.29Å; R243-N246 HydrophobicContact CB-CB 4.45Å; R243-N246 PolarHBondContact N-O 3.47Å; R243-N246 PolarHBondContact O-N 3.42Å; N246-P248 WeakPolarHBondContact O-CD 3.23Å
247	I	98.4	Very high	97.5	Very high	2 Å²	2	49.6 Å²	49.6	1%	0.01	23%	0.228	C	C	.	.	P	Polyproline II helix	trans	-85.7	122.5	173.6	-54.1	178.2	0	0	0	108.4	F202 E206 V207 W210 V292 T306 L310	F202-I247 HydrophobicContact CB-CD1 4.16Å; F202-I247 HydrophobicContact CD1-CD1 3.79Å; F202-I247 HydrophobicContact CD2-CB 3.78Å; F202-I247 HydrophobicContact CD2-CD1 4.13Å; F202-I247 HydrophobicContact CD2-CG1 4.42Å; F202-I247 HydrophobicContact CD2-CG2 4.14Å; F202-I247 HydrophobicContact CE1-CD1 4.16Å; F202-I247 HydrophobicContact CE1-CG2 4.36Å; F202-I247 HydrophobicContact CE2-CB 3.75Å; F202-I247 HydrophobicContact CE2-CD1 4.47Å; F202-I247 HydrophobicContact CE2-CG2 3.6Å; F202-I247 HydrophobicContact CG-CB 4.32Å; F202-I247 HydrophobicContact CG-CD1 3.77Å; F202-I247 HydrophobicContact CG-CG1 4.49Å; F202-I247 HydrophobicContact CZ-CB 4.29Å; F202-I247 HydrophobicContact CZ-CD1 4.48Å; F202-I247 HydrophobicContact CZ-CG2 3.73Å; E206-I247 HydrophobicContact CB-CD1 4.45Å; V207-I247 HydrophobicContact CG2-CD1 4.36Å; V207-I247 HydrophobicContact CG2-CG1 4.4Å; W210-I247 HydrophobicContact CB-CD1 3.8Å; W210-I247 HydrophobicContact CB-CG1 3.65Å; W210-I247 HydrophobicContact CD2-CG1 3.93Å; W210-I247 HydrophobicContact CE3-CG1 4.38Å; W210-I247 HydrophobicContact CE3-CG2 4.32Å; W210-I247 HydrophobicContact CG-CD1 4.26Å; W210-I247 HydrophobicContact CG-CG1 3.57Å; I247-V292 HydrophobicContact CD1-CG2 3.86Å; I247-T306 HydrophobicContact CG2-CG2 4.1Å; I247-L310 HydrophobicContact CG2-CD1 4.21Å
248	P	97.9	Very high	97.7	Very high	3 Å²	3	53.5 Å²	53.5	2%	0.019	24%	0.24	C	C	.	.	P	Polyproline II helix	trans	-57.4	141.6	175.9	-26.6	34.2	0	0	0	113.4	W210 C240 C242 N246 V253 L310	W210-P248 HydrophobicContact CZ2-CG 4.47Å; C240-P248 HydrophobicContact CB-CB 4.47Å; C240-P248 WeakPolarHBondContact O-CB 3.49Å; C242-P248 HydrophobicContact CB-CG 3.52Å; N246-P248 WeakPolarHBondContact O-CD 3.23Å; P248-V253 HydrophobicContact CB-CG2 3.73Å; P248-L310 HydrophobicContact CB-CD1 4Å; P248-L310 HydrophobicContact CG-CD1 4.07Å
249	Q	98.3	Very high	97.8	Very high	22 Å²	22	54.9 Å²	54.9	10%	0.103	25%	0.248	C	C	.	.	P	Polyproline II helix	trans	-80.4	137.4	170.4	-61.7	-65.8	-35.5	0	0	110.1	H199 I200 E251 D252 V253	H199-Q249 VanDerWaalsContact CD2-CD 3.44Å; H199-Q249 VanDerWaalsContact CD2-CG 3.49Å; H199-Q249 WeakPolarHBondContact CD2-CG 3.23Å; H199-Q249 WeakPolarHBondContact NE2-CG 3.27Å; I200-Q249 PolarHBondContact O-NE2 3.25Å; Q249-E251 PolarHBondContact O-N 3.47Å; Q249-D252 PolarHBondContact O-N 2.98Å; Q249-V253 WeakPolarHBondContact O-CG2 3.41Å; Q249-V253 PolarHBondContact O-N 3.42Å
250	L	98.4	Very high	97.8	Very high	3 Å²	3	52.3 Å²	52.3	2%	0.016	24%	0.238	C	C	.	.	H	α-helix	trans	-61.3	-30.9	-177.5	-66.5	-164.6	0	0	0	112.9	I197 V253 S254 I265 C288 Q290 L310	I197-L250 HydrophobicContact CB-CB 4.46Å; I197-L250 HydrophobicContact CD1-CB 3.98Å; I197-L250 HydrophobicContact CG2-CB 3.77Å; I197-L250 HydrophobicContact CG2-CD1 4.41Å; L250-V253 PolarHBondContact O-N 2.81Å; L250-S254 WeakPolarHBondContact O-CB 3.46Å; L250-S254 PolarHBondContact O-N 3.37Å; L250-I265 HydrophobicContact CB-CG2 4.18Å; L250-I265 HydrophobicContact CD1-CG2 3.88Å; L250-I265 HydrophobicContact CD2-CD1 4.41Å; L250-I265 HydrophobicContact CD2-CG2 4.46Å; L250-I265 HydrophobicContact CG-CG2 4.4Å; L250-C288 HydrophobicContact CD1-CB 4.08Å; L250-C288 VanDerWaalsContact CD2-SG 3.55Å; L250-Q290 HydrophobicContact CD1-CG 3.24Å; L250-Q290 HydrophobicContact CG-CG 3.86Å; L250-L310 HydrophobicContact CD2-CD2 3.83Å
251	E	98.2	Very high	97.9	Very high	56 Å²	56	52.7 Å²	52.7	26%	0.262	24%	0.24	S	C	.	.	H	α-helix	trans	-62	-45.4	176.7	-177.9	57.7	-153.1	0	0	111.6	I197 Q249 S254 R255	I197-E251 HydrophobicContact CB-CB 4.17Å; I197-E251 WeakPolarHBondContact CG1-OE2 3.37Å; I197-E251 PolarHBondContact N-OE2 3.24Å; Q249-E251 PolarHBondContact O-N 3.47Å; E251-S254 WeakPolarHBondContact O-CB 3.33Å; E251-S254 PolarHBondContact O-N 3.18Å; E251-R255 WeakPolarHBondContact O-CG 3.46Å; E251-R255 PolarHBondContact O-N 3Å
252	D	98.3	Very high	98	Very high	50 Å²	50	49.5 Å²	49.5	27%	0.267	24%	0.235	S	C	.	.	H	α-helix	trans	-65.8	-42.2	178.9	-62.4	-35.2	0	0	0	111.3	Q249 R255 F256	Q249-D252 PolarHBondContact O-N 2.98Å; D252-R255 PolarHBondContact O-N 2.95Å; D252-R255 IonicContact OD1-CZ 3.07Å; D252-R255 IonicContact OD1-NE 2.7Å; D252-R255 IonicContact OD1-NH2 3.87Å; D252-R255 PolarHBondContact OD1-NH2 3.07Å; D252-F256 WeakPolarHBondContact O-CB 3.16Å; D252-F256 PolarHBondContact O-N 3.4Å
253	V	98.6	Very high	98.1	Very high	2 Å²	2	49.4 Å²	49.4	1%	0.012	24%	0.235	C	C	.	.	H	α-helix	trans	-64.8	-40.5	176	-177.7	0	0	0	0	111.2	C240 P248 Q249 L250 F256 L257 I265 L310 V314	C240-V253 HydrophobicContact CB-CG2 3.95Å; P248-V253 HydrophobicContact CB-CG2 3.73Å; Q249-V253 WeakPolarHBondContact O-CG2 3.41Å; Q249-V253 PolarHBondContact O-N 3.42Å; L250-V253 PolarHBondContact O-N 2.81Å; V253-F256 PolarHBondContact O-N 3.01Å; V253-L257 HydrophobicContact CG1-CD1 4.18Å; V253-L257 HydrophobicContact CG1-CG 4.38Å; V253-L257 WeakPolarHBondContact O-CB 3.4Å; V253-L257 WeakPolarHBondContact O-CG 3.49Å; V253-L257 PolarHBondContact O-N 2.83Å; V253-I265 HydrophobicContact CB-CD1 3.85Å; V253-I265 HydrophobicContact CG1-CD1 3.43Å; V253-I265 VanDerWaalsContact CG1-CD1 3.43Å; V253-L310 HydrophobicContact CG1-CD2 4.4Å; V253-L310 HydrophobicContact CG2-CD2 4.09Å; V253-V314 HydrophobicContact CG1-CB 4.3Å; V253-V314 HydrophobicContact CG1-CG1 3.45Å; V253-V314 VanDerWaalsContact CG1-CG1 3.45Å; V253-V314 HydrophobicContact CG1-CG2 3.78Å
254	S	98.6	Very high	98.2	Very high	11 Å²	11	46.4 Å²	46.4	8%	0.077	23%	0.226	C	C	.	.	H	α-helix	trans	-61.1	-45.9	176.5	-168.1	0	0	0	0	111.3	L250 E251 L257 K258 I265	L250-S254 WeakPolarHBondContact O-CB 3.46Å; L250-S254 PolarHBondContact O-N 3.37Å; E251-S254 WeakPolarHBondContact O-CB 3.33Å; E251-S254 PolarHBondContact O-N 3.18Å; S254-L257 PolarHBondContact O-N 3.03Å; S254-K258 WeakPolarHBondContact O-CB 3.48Å; S254-K258 PolarHBondContact O-N 3.2Å; S254-I265 PolarHBondContact OG-N 3.4Å
255	R	98.4	Very high	98.2	Very high	138 Å²	138	43 Å²	43	52%	0.521	21%	0.21	S	C	.	.	H	α-helix	trans	-62.3	-45.8	175.9	-70.1	-171.4	-63.7	159.3	-3.6	111.7	E251 D252 K258 E259	E251-R255 WeakPolarHBondContact O-CG 3.46Å; E251-R255 PolarHBondContact O-N 3Å; D252-R255 PolarHBondContact O-N 2.95Å; D252-R255 IonicContact OD1-CZ 3.07Å; D252-R255 IonicContact OD1-NE 2.7Å; D252-R255 IonicContact OD1-NH2 3.87Å; D252-R255 PolarHBondContact OD1-NH2 3.07Å; R255-K258 WeakPolarHBondContact O-CB 3.41Å; R255-K258 PolarHBondContact O-N 3.41Å; R255-E259 PolarHBondContact O-N 3.21Å; R255-E259 VanDerWaalsContact O-N 3.13Å
256	F	98.4	Very high	98.2	Very high	11 Å²	11	38.3 Å²	38.3	5%	0.048	19%	0.185	C	C	.	.	H	α-helix	trans	-58.8	-48.8	176	167.6	-100	0	0	0	112.4	L235 L236 Y239 C240 D252 V253 K258 E259 R260 A318	L235-F256 HydrophobicContact CB-CE2 4.05Å; L235-F256 HydrophobicContact CB-CZ 3.93Å; L236-F256 HydrophobicContact CD2-CD1 3.63Å; L236-F256 HydrophobicContact CD2-CE1 3.33Å; L236-F256 HydrophobicContact CD2-CZ 4.02Å; L236-F256 HydrophobicContact CG-CE1 4.47Å; Y239-F256 HydrophobicContact CD2-CD2 4.21Å; Y239-F256 AromaticContact CD2-CE2 3.94Å; Y239-F256 HydrophobicContact CD2-CE2 3.94Å; Y239-F256 HydrophobicContact CG-CD2 4.28Å; Y239-F256 HydrophobicContact CG-CE2 4.47Å; C240-F256 VanDerWaalsContact SG-CB 3.51Å; D252-F256 WeakPolarHBondContact O-CB 3.16Å; D252-F256 PolarHBondContact O-N 3.4Å; V253-F256 PolarHBondContact O-N 3.01Å; F256-K258 VanDerWaalsContact C-N 3.28Å; F256-K258 PolarHBondContact O-N 3.45Å; F256-E259 PolarHBondContact O-N 2.88Å; F256-R260 HydrophobicContact CD2-CG 4.2Å; F256-R260 HydrophobicContact CE1-CG 4.33Å; F256-R260 HydrophobicContact CE2-CG 3.86Å; F256-R260 HydrophobicContact CZ-CG 3.95Å; F256-R260 WeakPolarHBondContact O-CG 3.44Å; F256-R260 PolarHBondContact O-N 3.11Å; F256-A318 HydrophobicContact CE1-CB 3.75Å; F256-A318 HydrophobicContact CZ-CB 4.16Å
257	L	98.6	Very high	98.2	Very high	0 Å²	0	36.1 Å²	36.1	0%	0	17%	0.173	C	C	.	.	H	α-helix	trans	-62.5	-36.9	178	-73.5	177.5	0	0	0	111.8	V253 S254 E259 R260 T261 G262 F263 I265 V314 L317 A318	V253-L257 HydrophobicContact CG1-CD1 4.18Å; V253-L257 HydrophobicContact CG1-CG 4.38Å; V253-L257 WeakPolarHBondContact O-CB 3.4Å; V253-L257 WeakPolarHBondContact O-CG 3.49Å; V253-L257 PolarHBondContact O-N 2.83Å; S254-L257 PolarHBondContact O-N 3.03Å; L257-E259 PolarHBondContact O-N 2.87Å; L257-R260 PolarHBondContact O-N 3.18Å; L257-R260 VanDerWaalsContact O-N 3.15Å; L257-T261 PolarHBondContact O-N 2.84Å; L257-T261 PolarHBondContact O-OG1 3.37Å; L257-G262 PolarHBondContact O-N 3.1Å; L257-F263 CarbonylContact C-O 3.58Å; L257-F263 HydrophobicContact CB-CB 4.06Å; L257-F263 WeakPolarHBondContact CB-O 3.34Å; L257-I265 HydrophobicContact CD1-CD1 4.09Å; L257-I265 HydrophobicContact CD1-CG1 4Å; L257-V314 HydrophobicContact CD1-CG1 4.36Å; L257-V314 HydrophobicContact CD2-CG1 4.27Å; L257-V314 HydrophobicContact CG-CG1 4.43Å; L257-L317 HydrophobicContact CD1-CB 4.26Å; L257-L317 HydrophobicContact CD1-CD1 4.39Å; L257-L317 HydrophobicContact CD2-CB 3.83Å; L257-A318 HydrophobicContact CD2-CB 3.87Å
258	K	98.3	Very high	98.1	Very high	124 Å²	124	36.6 Å²	36.6	54%	0.539	18%	0.176	S	C	.	.	H	α-helix	trans	-63.2	-43.5	-179.9	-170.6	177.3	-179	178.9	0	111.3	S254 R255 F256 R260 G262 F263 T264	S254-K258 WeakPolarHBondContact O-CB 3.48Å; S254-K258 PolarHBondContact O-N 3.2Å; R255-K258 WeakPolarHBondContact O-CB 3.41Å; R255-K258 PolarHBondContact O-N 3.41Å; F256-K258 VanDerWaalsContact C-N 3.28Å; F256-K258 PolarHBondContact O-N 3.45Å; K258-R260 VanDerWaalsContact C-N 3.29Å; K258-R260 PolarHBondContact O-N 2.85Å; K258-G262 VanDerWaalsContact O-CA 3.23Å; K258-G262 WeakPolarHBondContact O-CA 3.45Å; K258-G262 PolarHBondContact O-N 3.24Å; K258-F263 WeakPolarHBondContact CA-O 3.36Å; K258-F263 PolarHBondContact N-O 3.01Å; K258-T264 HydrophobicContact CB-CG2 4.06Å; K258-T264 HydrophobicContact CD-CG2 4.01Å; K258-T264 HydrophobicContact CG-CG2 4.08Å
259	E	97.9	Very high	97.8	Very high	171 Å²	171	36.8 Å²	36.8	80%	0.799	18%	0.178	S	C	*	.	H	α-helix	trans	-67.5	-29.1	176.4	-69.8	180	-174.2	0	0	113	R255 F256 L257	R255-E259 PolarHBondContact O-N 3.21Å; R255-E259 VanDerWaalsContact O-N 3.13Å; F256-E259 PolarHBondContact O-N 2.88Å; L257-E259 PolarHBondContact O-N 2.87Å
260	R	97.1	Very high	97.3	Very high	76 Å²	76	35.9 Å²	35.9	29%	0.287	17%	0.174	S	C	.	.	H	α-helix	trans	-87	-47.8	-174.6	-70.5	-64.8	-58.2	-79.8	-7.1	113.6	N232 F256 L257 K258 A318	N232-R260 PolarHBondContact OD1-NH2 3.49Å; F256-R260 HydrophobicContact CD2-CG 4.2Å; F256-R260 HydrophobicContact CE1-CG 4.33Å; F256-R260 HydrophobicContact CE2-CG 3.86Å; F256-R260 HydrophobicContact CZ-CG 3.95Å; F256-R260 WeakPolarHBondContact O-CG 3.44Å; F256-R260 PolarHBondContact O-N 3.11Å; L257-R260 PolarHBondContact O-N 3.18Å; L257-R260 VanDerWaalsContact O-N 3.15Å; K258-R260 VanDerWaalsContact C-N 3.29Å; K258-R260 PolarHBondContact O-N 2.85Å; R260-A318 PolarHBondContact NH2-O 2.8Å
261	T	98	Very high	96.7	Very high	10 Å²	10	40.4 Å²	40.4	6%	0.061	19%	0.192	C	C	.	.	H	α-helix	trans	-139.3	4.6	-172.3	60.8	0	0	0	0	112.4	L257 F263 R284 L317 P320 A323	L257-T261 PolarHBondContact O-N 2.84Å; L257-T261 PolarHBondContact O-OG1 3.37Å; T261-F263 PolarHBondContact O-N 3.33Å; T261-R284 WeakPolarHBondContact O-CD 3.32Å; T261-R284 PolarHBondContact O-NH1 3.1Å; T261-L317 WeakPolarHBondContact CB-O 3.38Å; T261-L317 VanDerWaalsContact CG2-O 3.27Å; T261-L317 WeakPolarHBondContact CG2-O 3.27Å; T261-L317 PolarHBondContact OG1-O 2.89Å; T261-P320 HydrophobicContact CG2-CG 4.29Å; T261-A323 HydrophobicContact CG2-CB 3.87Å
262	G	98	Very high	96.2	Very high	36 Å²	36	38.4 Å²	38.4	37%	0.371	18%	0.183	S	C	.	.	S	Bend	trans	71.3	5.6	-174	0	0	0	0	0	113.9	L257 K258	L257-G262 PolarHBondContact O-N 3.1Å; K258-G262 VanDerWaalsContact O-CA 3.23Å; K258-G262 WeakPolarHBondContact O-CA 3.45Å; K258-G262 PolarHBondContact O-N 3.24Å
263	F	98.6	Very high	95.9	Very high	0 Å²	0	37.1 Å²	37.1	0%	0	18%	0.178	C	C	.	.			trans	-71.1	143	171.3	-100.7	-98.3	0	0	0	111	L257 K258 T261 L281 R284 F286 L317 A323	L257-F263 CarbonylContact C-O 3.58Å; L257-F263 HydrophobicContact CB-CB 4.06Å; L257-F263 WeakPolarHBondContact CB-O 3.34Å; K258-F263 WeakPolarHBondContact CA-O 3.36Å; K258-F263 PolarHBondContact N-O 3.01Å; T261-F263 PolarHBondContact O-N 3.33Å; F263-L281 HydrophobicContact CE1-CD2 4.3Å; F263-R284 CarbonylContact C-O 3.55Å; F263-R284 WeakPolarHBondContact CA-O 3.49Å; F263-R284 HydrophobicContact CB-CB 4.4Å; F263-R284 VanDerWaalsContact CD1-C 3.5Å; F263-R284 HydrophobicContact CD1-CB 4.08Å; F263-R284 WeakPolarHBondContact CD1-O 3.21Å; F263-R284 HydrophobicContact CD2-CB 3.54Å; F263-R284 HydrophobicContact CD2-CG 3.78Å; F263-R284 HydrophobicContact CE1-CB 4.19Å; F263-R284 HydrophobicContact CE2-CB 3.65Å; F263-R284 HydrophobicContact CE2-CG 3.56Å; F263-R284 HydrophobicContact CG-CB 3.76Å; F263-R284 HydrophobicContact CG-CG 4.49Å; F263-R284 WeakPolarHBondContact CG-O 3.36Å; F263-R284 HydrophobicContact CZ-CB 3.99Å; F263-R284 HydrophobicContact CZ-CG 4.14Å; F263-F286 HydrophobicContact CD1-CB 4.26Å; F263-F286 HydrophobicContact CE1-CB 4.47Å; F263-L317 HydrophobicContact CD1-CD1 4.37Å; F263-L317 HydrophobicContact CD1-CD2 3.93Å; F263-L317 HydrophobicContact CE1-CD2 3.74Å; F263-L317 HydrophobicContact CE2-CD2 4.48Å; F263-L317 HydrophobicContact CG-CD2 4.39Å; F263-L317 HydrophobicContact CZ-CD2 4.04Å; F263-A323 HydrophobicContact CD2-CB 3.72Å; F263-A323 HydrophobicContact CE2-CB 3.68Å; F263-A323 WeakPolarHBondContact CE2-O 3.28Å
264	T	98.5	Very high	95.5	Very high	26 Å²	26	39.3 Å²	39.3	16%	0.16	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.9	159.6	170.2	58.4	0	0	0	0	110	K258 R284 V285 F286	K258-T264 HydrophobicContact CB-CG2 4.06Å; K258-T264 HydrophobicContact CD-CG2 4.01Å; K258-T264 HydrophobicContact CG-CG2 4.08Å; T264-R284 PolarHBondContact N-O 3.47Å; T264-V285 WeakPolarHBondContact O-CA 3.27Å; T264-F286 PolarHBondContact O-N 2.84Å
265	I	98.3	Very high	95.3	Very high	8 Å²	8	40.7 Å²	40.7	4%	0.041	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.6	145.8	175.1	-66.2	-178.4	0	0	0	109.5	I197 L250 V253 S254 L257 F286 C288 V314	I197-I265 HydrophobicContact CD1-CB 4.07Å; I197-I265 HydrophobicContact CD1-CG2 4.08Å; I197-I265 WeakPolarHBondContact CD1-O 3.49Å; L250-I265 HydrophobicContact CB-CG2 4.18Å; L250-I265 HydrophobicContact CD1-CG2 3.88Å; L250-I265 HydrophobicContact CD2-CD1 4.41Å; L250-I265 HydrophobicContact CD2-CG2 4.46Å; L250-I265 HydrophobicContact CG-CG2 4.4Å; V253-I265 HydrophobicContact CB-CD1 3.85Å; V253-I265 HydrophobicContact CG1-CD1 3.43Å; V253-I265 VanDerWaalsContact CG1-CD1 3.43Å; S254-I265 PolarHBondContact OG-N 3.4Å; L257-I265 HydrophobicContact CD1-CD1 4.09Å; L257-I265 HydrophobicContact CD1-CG1 4Å; I265-F286 WeakPolarHBondContact CA-O 3.36Å; I265-C288 HydrophobicContact CG2-CB 3.45Å; I265-C288 VanDerWaalsContact CG2-CB 3.45Å; I265-V314 HydrophobicContact CD1-CG2 4.38Å
266	R	97.9	Very high	95.1	Very high	8 Å²	8	34.4 Å²	34.4	3%	0.03	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.1	127.5	166.2	-177.1	-178.6	175.4	91.5	2.2	109.3	D152 H191 V268 V285 F286 H287 C288	D152-R266 IonicContact OD1-CZ 3.61Å; D152-R266 IonicContact OD1-NH1 2.68Å; D152-R266 PolarHBondContact OD1-NH1 2.88Å; D152-R266 IonicContact OD1-NH2 3.94Å; D152-R266 PolarHBondContact OD1-NH2 2.92Å; H191-R266 PolarHBondContact O-NH2 3.22Å; R266-V268 PolarHBondContact O-N 3.21Å; R266-V285 HydrophobicContact CB-CG1 3.68Å; R266-F286 PolarHBondContact N-O 3.44Å; R266-H287 CarbonylContact O-C 3.56Å; R266-H287 WeakPolarHBondContact O-CA 3.43Å; R266-C288 PolarHBondContact O-N 2.66Å
267	P	97.4	Very high	95	Very high	2 Å²	2	35.8 Å²	35.8	1%	0.013	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-63.7	136.9	175.6	28.8	-35.9	0	0	0	110.3	A188 H191 I197 C288	A188-P267 HydrophobicContact CB-CB 4.18Å; H191-P267 HydrophobicContact CB-CG 3.75Å; I197-P267 HydrophobicContact CG2-CB 4.29Å; I197-P267 HydrophobicContact CG2-CG 4.03Å; P267-C288 CarbonylContact C-O 3.58Å; P267-C288 WeakPolarHBondContact CA-O 3.3Å
268	V	95.8	Very high	94.9	Very high	11 Å²	11	35.9 Å²	35.9	7%	0.067	18%	0.179	C	C	.	.			trans	-129.6	143.1	175.8	75.1	0	0	0	0	110.6	R266 G270 L272 H287 C288 T289	R266-V268 PolarHBondContact O-N 3.21Å; V268-G270 VanDerWaalsContact C-N 3.34Å; V268-G270 WeakPolarHBondContact CG2-O 3.49Å; V268-L272 HydrophobicContact CG2-CD1 3.94Å; V268-L272 HydrophobicContact CG2-CD2 3.8Å; V268-L272 HydrophobicContact CG2-CG 3.73Å; V268-H287 HydrophobicContact CB-CB 4.05Å; V268-H287 HydrophobicContact CG1-CB 4.05Å; V268-H287 HydrophobicContact CG2-CB 4.49Å; V268-C288 PolarHBondContact N-O 2.98Å; V268-T289 HydrophobicContact CG1-CG2 4.04Å
269	A	91.2	Very high	94.8	Very high	7 Å²	7	30.1 Å²	30.1	6%	0.058	16%	0.155	C	C	.	.	S	Bend	trans	-75.3	-23	-176.8	0	0	0	0	0	113.2	V158 A185 A188 M189	V158-A269 HydrophobicContact CG2-CB 4.01Å; A185-A269 HydrophobicContact CB-CB 3.82Å; A188-A269 HydrophobicContact CB-CB 4.07Å; M189-A269 HydrophobicContact CG-CB 4.29Å; M189-A269 HydrophobicContact SD-CB 4.48Å
270	G	88.6	Confident	94.8	Very high	3 Å²	3	22 Å²	22	3%	0.031	12%	0.117	C	C	.	.	S	Bend	trans	-179.7	-157.6	-178.4	0	0	0	0	0	111.6	V268 L272	V268-G270 VanDerWaalsContact C-N 3.34Å; V268-G270 WeakPolarHBondContact CG2-O 3.49Å; G270-L272 PolarHBondContact O-N 3.2Å
271	Y	85.1	Confident	94.8	Very high	98 Å²	98	18.4 Å²	18.4	38%	0.384	10%	0.103	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.2	124.9	-179	-89.6	-97.1	0	0	0	112.2	V158 L159 M160 Y161 P304	V158-Y271 CarbonylContact C-O 3.01Å; V158-Y271 WeakPolarHBondContact CA-O 3.45Å; L159-Y271 PolarHBondContact N-O 3.02Å; M160-Y271 PolarHBondContact O-N 3.07Å; Y161-Y271 AromaticContact CD2-CD2 3.33Å; Y161-Y271 HydrophobicContact CD2-CD2 3.33Å; Y161-Y271 AromaticContact CD2-CE2 3.49Å; Y161-Y271 HydrophobicContact CD2-CE2 3.49Å; Y161-Y271 VanDerWaalsContact CD2-CE2 3.49Å; Y161-Y271 HydrophobicContact CD2-CG 4.31Å; Y161-Y271 HydrophobicContact CE2-CD2 4.08Å; Y161-Y271 AromaticContact CE2-CE2 3.88Å; Y161-Y271 HydrophobicContact CE2-CE2 3.88Å; Y161-Y271 HydrophobicContact CG-CD2 4.24Å; Y161-Y271 HydrophobicContact CG-CE2 4.47Å; Y271-P304 HydrophobicContact CD2-CG 4.03Å; Y271-P304 HydrophobicContact CE1-CG 4.47Å; Y271-P304 HydrophobicContact CE2-CG 3.45Å; Y271-P304 VanDerWaalsContact CE2-CG 3.45Å; Y271-P304 WeakPolarHBondContact OH-CD 3.24Å
272	L	88.9	Confident	94.8	Very high	14 Å²	14	18 Å²	18	7%	0.073	10%	0.101	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.1	165.7	170.6	-62.7	176.5	0	0	0	111.3	A155 V158 V268 G270 D276 F277 H287	A155-L272 WeakPolarHBondContact O-CD2 3.43Å; V158-L272 HydrophobicContact CG2-CD2 4.35Å; V268-L272 HydrophobicContact CG2-CD1 3.94Å; V268-L272 HydrophobicContact CG2-CD2 3.8Å; V268-L272 HydrophobicContact CG2-CG 3.73Å; G270-L272 PolarHBondContact O-N 3.2Å; L272-D276 HydrophobicContact CB-CB 4.32Å; L272-F277 HydrophobicContact CB-CB 4.2Å; L272-H287 HydrophobicContact CD1-CB 4.12Å
273	S	90.8	Very high	94.8	Very high	24 Å²	24	16.3 Å²	16.3	17%	0.168	8%	0.083	C	C	.	.	P	Polyproline II helix	trans	-58.3	146.6	165.6	81.2	0	0	0	0	110.5	R275 D276 F277	S273-R275 PolarHBondContact O-N 3.5Å; S273-R275 VanDerWaalsContact O-N 3.15Å; S273-D276 PolarHBondContact O-N 3.1Å; S273-D276 WeakPolarHBondContact OG-CB 3.09Å; S273-D276 PolarHBondContact OG-N 3.19Å; S273-D276 VanDerWaalsContact OG-N 3.16Å; S273-D276 PolarHBondContact OG-OD2 2.95Å; S273-F277 PolarHBondContact O-N 3.32Å
274	P	91.6	Very high	94.8	Very high	48 Å²	48	19.1 Å²	19.1	31%	0.312	9%	0.094	S	C	.	.	H	α-helix	trans	-54.8	-35.8	177.1	-27.6	34.7	0	0	0	112.8	L278 V341 A345	P274-L278 WeakPolarHBondContact O-CB 3.37Å; P274-L278 WeakPolarHBondContact O-CG 3.24Å; P274-L278 PolarHBondContact O-N 3.01Å; P274-V341 HydrophobicContact CB-CG1 4.04Å; P274-A345 HydrophobicContact CB-CB 3.81Å; P274-A345 HydrophobicContact CG-CB 4.46Å
275	R	94.3	Very high	94.8	Very high	39 Å²	39	18.1 Å²	18.1	15%	0.147	9%	0.088	C	C	.	.	H	α-helix	trans	-59.9	-50.9	175.5	180	175	-66.8	-73	-0.3	111.6	S273 A279 A336 D338 V341	S273-R275 PolarHBondContact O-N 3.5Å; S273-R275 VanDerWaalsContact O-N 3.15Å; R275-A279 WeakPolarHBondContact O-CB 3.41Å; R275-A279 PolarHBondContact O-N 3.2Å; R275-A336 VanDerWaalsContact CZ-O 3.27Å; R275-A336 PolarHBondContact NH1-O 3.24Å; R275-A336 PolarHBondContact NH2-O 2.92Å; R275-D338 IonicContact CZ-OD1 2.86Å; R275-D338 IonicContact NE-OD1 3.13Å; R275-D338 PolarHBondContact NE-OD1 3.19Å; R275-D338 IonicContact NH2-OD1 3.48Å; R275-D338 PolarHBondContact NH2-OD1 3.05Å; R275-V341 HydrophobicContact CB-CG1 4.08Å
276	D	93.4	Very high	94.8	Very high	7 Å²	7	17.9 Å²	17.9	4%	0.037	9%	0.086	C	C	.	.	H	α-helix	trans	-70.6	-41.4	-175.3	-64.1	-39.2	0	0	0	111.6	C154 L272 S273 A279 G280	C154-D276 HydrophobicContact CB-CB 3.88Å; C154-D276 WeakPolarHBondContact CB-OD1 3.49Å; L272-D276 HydrophobicContact CB-CB 4.32Å; S273-D276 PolarHBondContact O-N 3.1Å; S273-D276 WeakPolarHBondContact OG-CB 3.09Å; S273-D276 PolarHBondContact OG-N 3.19Å; S273-D276 VanDerWaalsContact OG-N 3.16Å; S273-D276 PolarHBondContact OG-OD2 2.95Å; D276-A279 PolarHBondContact O-N 2.8Å; D276-G280 PolarHBondContact O-N 2.85Å
277	F	95.8	Very high	94.8	Very high	39 Å²	39	17.6 Å²	17.6	17%	0.171	9%	0.085	C	C	.	.	H	α-helix	trans	-63.2	-51.6	176.8	-179	-97.6	0	0	0	111.6	L272 S273 A279 G280 L281 F286 H287 Y348	L272-F277 HydrophobicContact CB-CB 4.2Å; S273-F277 PolarHBondContact O-N 3.32Å; F277-A279 VanDerWaalsContact C-N 3.3Å; F277-A279 PolarHBondContact O-N 2.96Å; F277-G280 PolarHBondContact O-N 3.25Å; F277-G280 VanDerWaalsContact O-N 3.11Å; F277-L281 HydrophobicContact CE1-CD1 4.21Å; F277-F286 HydrophobicContact CE2-CE2 4.26Å; F277-F286 HydrophobicContact CZ-CD2 4.23Å; F277-F286 AromaticContact CZ-CE2 3.74Å; F277-F286 HydrophobicContact CZ-CE2 3.74Å; F277-F286 HydrophobicContact CZ-CZ 4.43Å; F277-H287 HydrophobicContact CD2-CB 4.03Å; F277-H287 HydrophobicContact CE2-CB 4.13Å; F277-Y348 AromaticContact CE1-CE1 3.8Å; F277-Y348 HydrophobicContact CE1-CE1 3.8Å; F277-Y348 HydrophobicContact CE1-CE2 4.05Å; F277-Y348 AromaticContact CE1-CZ 3.51Å; F277-Y348 WeakPolarHBondContact CE1-OH 3.48Å; F277-Y348 HydrophobicContact CZ-CE1 4.42Å; F277-Y348 WeakPolarHBondContact CZ-OH 3.38Å
278	L	96.8	Very high	94.8	Very high	2 Å²	2	17.5 Å²	17.5	1%	0.01	9%	0.085	C	C	.	.	H	α-helix	trans	-64.8	-35.7	-180	-66.8	179.2	0	0	0	111.6	P274 G280 L281 I329 G330 V341 L344 A345 Y348	P274-L278 WeakPolarHBondContact O-CB 3.37Å; P274-L278 WeakPolarHBondContact O-CG 3.24Å; P274-L278 PolarHBondContact O-N 3.01Å; L278-G280 PolarHBondContact O-N 2.94Å; L278-L281 HydrophobicContact CD2-CD1 3.83Å; L278-L281 WeakPolarHBondContact O-CB 3.15Å; L278-L281 PolarHBondContact O-N 3.21Å; L278-L281 VanDerWaalsContact O-N 3.09Å; L278-I329 HydrophobicContact CD2-CG2 3.89Å; L278-G330 WeakPolarHBondContact O-CA 3.5Å; L278-V341 HydrophobicContact CD1-CG1 4.45Å; L278-L344 HydrophobicContact CD1-CB 3.94Å; L278-A345 HydrophobicContact CD1-CB 4.3Å; L278-Y348 HydrophobicContact CD2-CD2 3.97Å; L278-Y348 HydrophobicContact CD2-CG 4.11Å
279	A	96.9	Very high	94.9	Very high	4 Å²	4	17 Å²	17	3%	0.033	8%	0.082	C	C	.	.	H	α-helix	trans	-58.8	-37	174.8	0	0	0	0	0	111.9	P145 R275 D276 F277 L281 A282 F283 L334	P145-A279 HydrophobicContact CG-CB 3.94Å; R275-A279 WeakPolarHBondContact O-CB 3.41Å; R275-A279 PolarHBondContact O-N 3.2Å; D276-A279 PolarHBondContact O-N 2.8Å; F277-A279 VanDerWaalsContact C-N 3.3Å; F277-A279 PolarHBondContact O-N 2.96Å; A279-L281 VanDerWaalsContact C-N 3.31Å; A279-L281 PolarHBondContact O-N 3.23Å; A279-A282 VanDerWaalsContact O-CB 3.27Å; A279-A282 WeakPolarHBondContact O-CB 3.13Å; A279-A282 PolarHBondContact O-N 3.44Å; A279-F283 WeakPolarHBondContact O-CD2 3.23Å; A279-L334 HydrophobicContact CB-CD2 3.87Å
280	G	97.8	Very high	95.1	Very high	0 Å²	0	17 Å²	17	0%	0	8%	0.081	C	C	.	.	H	α-helix	trans	-57.3	-41.8	173.2	0	0	0	0	0	113.2	D276 F277 L278 A282 F283 R284 V285	D276-G280 PolarHBondContact O-N 2.85Å; F277-G280 PolarHBondContact O-N 3.25Å; F277-G280 VanDerWaalsContact O-N 3.11Å; L278-G280 PolarHBondContact O-N 2.94Å; G280-A282 PolarHBondContact O-N 2.96Å; G280-F283 PolarHBondContact O-N 2.79Å; G280-R284 PolarHBondContact O-N 3.49Å; G280-V285 CarbonylContact C-O 3.07Å; G280-V285 PolarHBondContact O-N 3.31Å
281	L	98.1	Very high	95.5	Very high	1 Å²	1	17 Å²	17	1%	0.005	8%	0.08	C	C	.	.	H	α-helix	trans	-61.8	-29.2	179.9	-55.8	-179.6	0	0	0	112.6	F263 F277 L278 A279 F283 R284 V285 F286 Q327 Y348	F263-L281 HydrophobicContact CE1-CD2 4.3Å; F277-L281 HydrophobicContact CE1-CD1 4.21Å; L278-L281 HydrophobicContact CD2-CD1 3.83Å; L278-L281 WeakPolarHBondContact O-CB 3.15Å; L278-L281 PolarHBondContact O-N 3.21Å; L278-L281 VanDerWaalsContact O-N 3.09Å; A279-L281 VanDerWaalsContact C-N 3.31Å; A279-L281 PolarHBondContact O-N 3.23Å; L281-F283 PolarHBondContact O-N 2.9Å; L281-R284 PolarHBondContact O-N 3.2Å; L281-V285 PolarHBondContact N-O 2.87Å; L281-F286 HydrophobicContact CD2-CD2 4.11Å; L281-Q327 WeakPolarHBondContact O-CA 3.33Å; L281-Y348 HydrophobicContact CD1-CD2 3.86Å; L281-Y348 HydrophobicContact CD1-CE2 3.45Å; L281-Y348 VanDerWaalsContact CD1-CE2 3.45Å
282	A	97.5	Very high	96	Very high	0 Å²	0	12.5 Å²	12.5	0%	0	6%	0.062	C	C	.	.	H	α-helix	trans	-59.8	-32.4	176.1	0	0	0	0	0	112.1	A279 G280 R284 Q327 L331 L334	A279-A282 VanDerWaalsContact O-CB 3.27Å; A279-A282 WeakPolarHBondContact O-CB 3.13Å; A279-A282 PolarHBondContact O-N 3.44Å; G280-A282 PolarHBondContact O-N 2.96Å; A282-R284 VanDerWaalsContact C-N 3.33Å; A282-Q327 WeakPolarHBondContact O-CG 3.22Å; A282-Q327 PolarHBondContact O-NE2 3.39Å; A282-L331 HydrophobicContact CB-CD2 3.99Å; A282-L331 HydrophobicContact CB-CG 4.22Å; A282-L334 HydrophobicContact CB-CD1 3.8Å; A282-L334 HydrophobicContact CB-CD2 4.08Å; A282-L334 HydrophobicContact CB-CG 4.05Å
283	F	98.3	Very high	96.3	Very high	2 Å²	2	12.3 Å²	12.3	1%	0.009	6%	0.061	C	C	.	.	T	Hydrogen-bonded Turn	trans	-92.7	8.7	177.5	-63.6	-92	0	0	0	112.9	P145 K147 I148 L151 A279 G280 L281 V285 Y437 V444	P145-F283 HydrophobicContact CB-CE2 4.09Å; P145-F283 HydrophobicContact CB-CZ 4.26Å; P145-F283 HydrophobicContact CG-CE2 3.8Å; P145-F283 HydrophobicContact CG-CZ 4.42Å; P145-F283 WeakPolarHBondContact O-CZ 3.43Å; K147-F283 VanDerWaalsContact C-CE1 3.44Å; I148-F283 HydrophobicContact CB-CB 4.49Å; I148-F283 HydrophobicContact CB-CD1 3.76Å; I148-F283 HydrophobicContact CB-CE1 4.46Å; I148-F283 HydrophobicContact CB-CG 4.38Å; I148-F283 HydrophobicContact CD1-CB 4.37Å; I148-F283 HydrophobicContact CG1-CB 4.12Å; I148-F283 HydrophobicContact CG1-CD1 4.31Å; I148-F283 HydrophobicContact CG1-CG 4.46Å; L151-F283 HydrophobicContact CD1-CB 4.28Å; L151-F283 HydrophobicContact CD1-CD2 4.42Å; L151-F283 HydrophobicContact CD1-CG 4.45Å; L151-F283 HydrophobicContact CD2-CD2 4.34Å; A279-F283 WeakPolarHBondContact O-CD2 3.23Å; G280-F283 PolarHBondContact O-N 2.79Å; L281-F283 PolarHBondContact O-N 2.9Å; F283-V285 HydrophobicContact CB-CG2 3.94Å; F283-V285 PolarHBondContact O-N 3.36Å; F283-Y437 HydrophobicContact CB-CE2 4.38Å; F283-Y437 HydrophobicContact CD1-CD2 4.36Å; F283-Y437 AromaticContact CD1-CE2 3.69Å; F283-Y437 HydrophobicContact CD1-CE2 3.69Å; F283-Y437 HydrophobicContact CE1-CE2 4.3Å; F283-Y437 HydrophobicContact CG-CE2 4.3Å; F283-V444 HydrophobicContact CE1-CG2 3.81Å; F283-V444 HydrophobicContact CE2-CG2 4.01Å; F283-V444 HydrophobicContact CZ-CB 4.36Å; F283-V444 HydrophobicContact CZ-CG2 3.39Å
284	R	98.4	Very high	96.5	Very high	59 Å²	59	12.2 Å²	12.2	22%	0.223	6%	0.058	C	C	.	.	T	Hydrogen-bonded Turn	trans	54.6	35	-168.3	-58.1	-166.6	173.1	167	5.3	112.5	T261 F263 T264 G280 L281 A282 Q327	T261-R284 WeakPolarHBondContact O-CD 3.32Å; T261-R284 PolarHBondContact O-NH1 3.1Å; F263-R284 CarbonylContact C-O 3.55Å; F263-R284 WeakPolarHBondContact CA-O 3.49Å; F263-R284 HydrophobicContact CB-CB 4.4Å; F263-R284 VanDerWaalsContact CD1-C 3.5Å; F263-R284 HydrophobicContact CD1-CB 4.08Å; F263-R284 WeakPolarHBondContact CD1-O 3.21Å; F263-R284 HydrophobicContact CD2-CB 3.54Å; F263-R284 HydrophobicContact CD2-CG 3.78Å; F263-R284 HydrophobicContact CE1-CB 4.19Å; F263-R284 HydrophobicContact CE2-CB 3.65Å; F263-R284 HydrophobicContact CE2-CG 3.56Å; F263-R284 HydrophobicContact CG-CB 3.76Å; F263-R284 HydrophobicContact CG-CG 4.49Å; F263-R284 WeakPolarHBondContact CG-O 3.36Å; F263-R284 HydrophobicContact CZ-CB 3.99Å; F263-R284 HydrophobicContact CZ-CG 4.14Å; T264-R284 PolarHBondContact N-O 3.47Å; G280-R284 PolarHBondContact O-N 3.49Å; L281-R284 PolarHBondContact O-N 3.2Å; A282-R284 VanDerWaalsContact C-N 3.33Å; R284-Q327 HydrophobicContact CG-CB 4.33Å; R284-Q327 HydrophobicContact CG-CG 4.19Å; R284-Q327 VanDerWaalsContact CZ-OE1 3.27Å
285	V	98.6	Very high	96.6	Very high	5 Å²	5	11.9 Å²	11.9	3%	0.03	6%	0.056	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.1	118	174.4	179.7	0	0	0	0	108.7	I148 L151 T264 R266 G280 L281 F283	I148-V285 HydrophobicContact CD1-CG2 3.67Å; I148-V285 HydrophobicContact CG1-CG2 3.87Å; L151-V285 HydrophobicContact CD1-CB 3.71Å; L151-V285 HydrophobicContact CD1-CG1 3.94Å; L151-V285 HydrophobicContact CD1-CG2 3.65Å; T264-V285 WeakPolarHBondContact O-CA 3.27Å; R266-V285 HydrophobicContact CB-CG1 3.68Å; G280-V285 CarbonylContact C-O 3.07Å; G280-V285 PolarHBondContact O-N 3.31Å; L281-V285 PolarHBondContact N-O 2.87Å; F283-V285 HydrophobicContact CB-CG2 3.94Å; F283-V285 PolarHBondContact O-N 3.36Å
286	F	98.4	Very high	96.5	Very high	2 Å²	2	13.8 Å²	13.8	1%	0.009	8%	0.076	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.6	121.9	173.9	-173	-99.9	0	0	0	109.8	F263 T264 I265 R266 F277 L281 C288 E309 H313 L317	F263-F286 HydrophobicContact CD1-CB 4.26Å; F263-F286 HydrophobicContact CE1-CB 4.47Å; T264-F286 PolarHBondContact O-N 2.84Å; I265-F286 WeakPolarHBondContact CA-O 3.36Å; R266-F286 PolarHBondContact N-O 3.44Å; F277-F286 HydrophobicContact CE2-CE2 4.26Å; F277-F286 HydrophobicContact CZ-CD2 4.23Å; F277-F286 AromaticContact CZ-CE2 3.74Å; F277-F286 HydrophobicContact CZ-CE2 3.74Å; F277-F286 HydrophobicContact CZ-CZ 4.43Å; L281-F286 HydrophobicContact CD2-CD2 4.11Å; F286-C288 HydrophobicContact CD1-CB 4.1Å; F286-C288 HydrophobicContact CE1-CB 4.24Å; F286-E309 WeakPolarHBondContact CE1-OE2 3.48Å; F286-E309 VanDerWaalsContact CZ-OE2 3.28Å; F286-E309 WeakPolarHBondContact CZ-OE2 3.48Å; F286-H313 HydrophobicContact CE1-CB 4.14Å; F286-H313 HydrophobicContact CE2-CB 4.28Å; F286-H313 AromaticContact CE2-CG 3.86Å; F286-H313 AromaticContact CE2-ND1 3.79Å; F286-H313 HydrophobicContact CZ-CB 3.83Å; F286-H313 AromaticContact CZ-CD2 3.44Å; F286-H313 VanDerWaalsContact CZ-CD2 3.44Å; F286-H313 WeakPolarHBondContact CZ-CD2 3.38Å; F286-H313 AromaticContact CZ-CG 3.44Å; F286-H313 VanDerWaalsContact CZ-CG 3.44Å; F286-H313 AromaticContact CZ-ND1 3.81Å; F286-H313 AromaticContact CZ-NE2 3.81Å; F286-L317 HydrophobicContact CB-CD1 3.82Å; F286-L317 HydrophobicContact CD1-CD1 4.09Å; F286-L317 HydrophobicContact CD2-CD1 3.88Å; F286-L317 HydrophobicContact CG-CD1 3.64Å
287	H	97.6	Very high	96.2	Very high	2 Å²	2	16.4 Å²	16.4	1%	0.009	9%	0.089	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.4	120.3	175.6	-66.2	94	0	0	0	108.7	R266 V268 L272 F277	R266-H287 CarbonylContact O-C 3.56Å; R266-H287 WeakPolarHBondContact O-CA 3.43Å; V268-H287 HydrophobicContact CB-CB 4.05Å; V268-H287 HydrophobicContact CG1-CB 4.05Å; V268-H287 HydrophobicContact CG2-CB 4.49Å; L272-H287 HydrophobicContact CD1-CB 4.12Å; F277-H287 HydrophobicContact CD2-CB 4.03Å; F277-H287 HydrophobicContact CE2-CB 4.13Å
288	C	97.2	Very high	95.8	Very high	0 Å²	0	15.9 Å²	15.9	0%	0	9%	0.09	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.6	132.4	-169.4	-177.3	0	0	0	0	110.2	L250 I265 R266 P267 V268 F286 E309	L250-C288 HydrophobicContact CD1-CB 4.08Å; L250-C288 VanDerWaalsContact CD2-SG 3.55Å; I265-C288 HydrophobicContact CG2-CB 3.45Å; I265-C288 VanDerWaalsContact CG2-CB 3.45Å; R266-C288 PolarHBondContact O-N 2.66Å; P267-C288 CarbonylContact C-O 3.58Å; P267-C288 WeakPolarHBondContact CA-O 3.3Å; V268-C288 PolarHBondContact N-O 2.98Å; F286-C288 HydrophobicContact CD1-CB 4.1Å; F286-C288 HydrophobicContact CE1-CB 4.24Å; C288-E309 WeakPolarHBondContact SG-CB 3.42Å
289	T	96.6	Very high	95.3	Very high	2 Å²	2	19 Å²	19	1%	0.012	11%	0.107	C	C	.	.			trans	-75.7	157.6	172.1	71.6	0	0	0	0	111.4	V268 Y291 P304 E309	V268-T289 HydrophobicContact CG1-CG2 4.04Å; T289-Y291 HydrophobicContact CG2-CD1 4.44Å; T289-Y291 HydrophobicContact CG2-CE1 3.64Å; T289-P304 WeakPolarHBondContact CB-O 3.49Å; T289-P304 VanDerWaalsContact CG2-O 3.31Å; T289-P304 WeakPolarHBondContact CG2-O 3.37Å; T289-P304 PolarHBondContact OG1-O 2.65Å; T289-E309 PolarHBondContact N-OE1 2.68Å
290	Q	97	Very high	94.3	Very high	7 Å²	7	21.8 Å²	21.8	3%	0.033	12%	0.117	C	C	.	.			trans	-112.2	-11.5	177	-71.9	-173.8	-87.5	0	0	113.8	F184 P198 L250	F184-Q290 HydrophobicContact CD1-CB 3.64Å; F184-Q290 HydrophobicContact CE1-CB 3.98Å; F184-Q290 WeakPolarHBondContact CE1-O 3.31Å; P198-Q290 PolarHBondContact O-NE2 3.33Å; P198-Q290 VanDerWaalsContact O-NE2 3.14Å; L250-Q290 HydrophobicContact CD1-CG 3.24Å; L250-Q290 HydrophobicContact CG-CG 3.86Å
291	Y	96.4	Very high	93.4	Very high	3 Å²	3	22.9 Å²	22.9	1%	0.012	12%	0.123	C	C	.	.	P	Polyproline II helix	trans	-78.3	152.9	-178.2	60	-101.1	0	0	0	111.4	R181 F184 T289 E303 D305 T306	R181-Y291 VanDerWaalsContact CD-CG 3.47Å; F184-Y291 VanDerWaalsContact CD2-CB 3.49Å; T289-Y291 HydrophobicContact CG2-CD1 4.44Å; T289-Y291 HydrophobicContact CG2-CE1 3.64Å; Y291-E303 HydrophobicContact CE2-CB 4.24Å; Y291-D305 HydrophobicContact CD2-CB 4.03Å; Y291-D305 HydrophobicContact CE2-CB 3.93Å; Y291-D305 WeakPolarHBondContact O-CB 3.46Å; Y291-T306 PolarHBondContact O-N 3.07Å
292	V	96.2	Very high	92.2	Very high	3 Å²	3	24.6 Å²	24.6	2%	0.018	14%	0.135	C	C	.	.	P	Polyproline II helix	trans	-98.9	144.3	174.1	-171	0	0	0	0	109.1	Y177 F202 E206 T209 I247 T306	Y177-V292 WeakPolarHBondContact CE2-O 3.44Å; Y177-V292 PolarHBondContact OH-O 2.91Å; F202-V292 HydrophobicContact CD1-CG2 4.04Å; F202-V292 HydrophobicContact CE1-CG2 3.92Å; E206-V292 HydrophobicContact CB-CB 4.38Å; E206-V292 HydrophobicContact CB-CG2 3.98Å; E206-V292 HydrophobicContact CG-CB 4.21Å; E206-V292 HydrophobicContact CG-CG2 4.12Å; T209-V292 HydrophobicContact CG2-CG1 4.07Å; I247-V292 HydrophobicContact CD1-CG2 3.86Å; V292-T306 HydrophobicContact CG2-CG2 3.83Å
293	R	94.3	Very high	91.5	Very high	10 Å²	10	24.8 Å²	24.8	4%	0.038	14%	0.136	C	C	.	.	P	Polyproline II helix	trans	-55	157	171.7	66.2	-171.2	66.4	-178	-7.3	111.9	T209 P298 T301 D305	T209-R293 HydrophobicContact CG2-CG 3.86Å; R293-P298 WeakPolarHBondContact CD-O 3.19Å; R293-P298 PolarHBondContact NH1-O 3.37Å; R293-T301 HydrophobicContact CB-CG2 4.37Å; R293-T301 VanDerWaalsContact CZ-CG2 3.48Å; R293-D305 HydrophobicContact CB-CB 4.18Å; R293-D305 WeakPolarHBondContact CB-OD2 3.46Å; R293-D305 WeakPolarHBondContact CG-OD2 3.45Å; R293-D305 IonicContact CZ-OD1 3.2Å; R293-D305 IonicContact CZ-OD2 3.79Å; R293-D305 PolarHBondContact N-OD2 2.91Å; R293-D305 VanDerWaalsContact NE-CG 3.35Å; R293-D305 IonicContact NE-OD1 3.39Å; R293-D305 PolarHBondContact NE-OD1 3.05Å; R293-D305 IonicContact NE-OD2 2.65Å; R293-D305 PolarHBondContact NE-OD2 2.7Å; R293-D305 IonicContact NH2-OD1 3.54Å; R293-D305 PolarHBondContact NH2-OD1 3.12Å; R293-D305 IonicContact NH2-OD2 3.49Å
294	H	95	Very high	91.1	Very high	22 Å²	22	25.3 Å²	25.3	10%	0.102	14%	0.139	C	C	.	.	P	Polyproline II helix	trans	-65.4	137.2	179.9	-167.4	-94.5	0	0	0	111.8	P170 D174 Y177 S296 D297	P170-H294 HydrophobicContact CB-CB 4.2Å; P170-H294 HydrophobicContact CG-CB 3.9Å; D174-H294 IonicContact OD2-NE2 3.46Å; D174-H294 PolarHBondContact OD2-NE2 3.5Å; Y177-H294 AromaticContact CD2-CD2 3.72Å; Y177-H294 HydrophobicContact CE2-CB 4.24Å; Y177-H294 AromaticContact CG-CD2 3.66Å; H294-S296 WeakPolarHBondContact ND1-CB 3.21Å; H294-S296 PolarHBondContact ND1-N 3.19Å; H294-S296 PolarHBondContact ND1-OG 3.15Å; H294-S296 PolarHBondContact O-N 3.47Å; H294-D297 PolarHBondContact O-N 3.41Å
295	S	94.1	Very high	90.9	Very high	41 Å²	41	22.5 Å²	22.5	29%	0.287	13%	0.129	S	C	.	.	T	Hydrogen-bonded Turn	trans	-66.9	-19.5	-172.3	60.5	0	0	0	0	114.5	E205 T209 D297	E205-S295 VanDerWaalsContact OE1-CB 3.23Å; E205-S295 WeakPolarHBondContact OE1-CB 3.38Å; E205-S295 PolarHBondContact OE1-OG 3.23Å; T209-S295 WeakPolarHBondContact OG1-CB 3.47Å; S295-D297 VanDerWaalsContact C-N 3.26Å; S295-D297 PolarHBondContact O-N 3.04Å
296	S	92.8	Very high	90.8	Very high	79 Å²	79	22.3 Å²	22.3	55%	0.552	13%	0.127	S	C	*	.	T	Hydrogen-bonded Turn	trans	-67.3	-24.3	178.8	68.5	0	0	0	0	114	H294	H294-S296 WeakPolarHBondContact ND1-CB 3.21Å; H294-S296 PolarHBondContact ND1-N 3.19Å; H294-S296 PolarHBondContact ND1-OG 3.15Å; H294-S296 PolarHBondContact O-N 3.47Å
297	D	86.8	Confident	90.7	Very high	61 Å²	61	22.3 Å²	22.3	33%	0.326	13%	0.127	S	C	.	.			trans	-140.1	74	178.8	-165.9	-2.5	0	0	0	110.3	H294 S295 L299 Y300	H294-D297 PolarHBondContact O-N 3.41Å; S295-D297 VanDerWaalsContact C-N 3.26Å; S295-D297 PolarHBondContact O-N 3.04Å; D297-L299 PolarHBondContact O-N 3.44Å; D297-Y300 PolarHBondContact O-N 3.32Å
298	P	87.7	Confident	90.6	Very high	28 Å²	28	23 Å²	23	18%	0.182	13%	0.131	C	C	.	.	T	Hydrogen-bonded Turn	trans	-67.6	-24.6	-174	27	-33.9	0	0	0	112.3	T209 V212 V213 R293	T209-P298 HydrophobicContact CG2-CB 4.1Å; V212-P298 HydrophobicContact CB-CB 4.44Å; V212-P298 HydrophobicContact CG1-CB 4.11Å; V212-P298 HydrophobicContact CG1-CG 4.06Å; V213-P298 HydrophobicContact CG2-CB 4.44Å; V213-P298 WeakPolarHBondContact CG2-O 3.35Å; R293-P298 WeakPolarHBondContact CD-O 3.19Å; R293-P298 PolarHBondContact NH1-O 3.37Å
299	L	85.9	Confident	90.6	Very high	69 Å²	69	23.4 Å²	23.4	36%	0.361	13%	0.132	S	C	.	.	T	Hydrogen-bonded Turn	trans	-89.7	-3.7	-172.7	-49.7	-170	0	0	0	113.1	V212 E216 D297 I374	V212-L299 HydrophobicContact CG1-CD2 3.8Å; E216-L299 HydrophobicContact CG-CD2 4.49Å; D297-L299 PolarHBondContact O-N 3.44Å; L299-I374 HydrophobicContact CB-CD1 4.27Å; L299-I374 HydrophobicContact CD1-CD1 4.43Å; L299-I374 HydrophobicContact CD2-CD1 3.61Å; L299-I374 HydrophobicContact CG-CD1 4.29Å
300	Y	75.9	Confident	90.7	Very high	62 Å²	62	23.4 Å²	23.4	24%	0.243	13%	0.133	C	C	.	.			trans	-142.5	137.8	-179.7	171.2	-108.1	0	0	0	111.9	R11 D297	R11-Y300 HydrophobicContact CB-CD2 3.79Å; R11-Y300 HydrophobicContact CB-CE2 3.69Å; R11-Y300 HydrophobicContact CG-CD2 4.37Å; R11-Y300 HydrophobicContact CG-CE2 4.13Å; D297-Y300 PolarHBondContact O-N 3.32Å
301	T	79.2	Confident	90.7	Very high	23 Å²	23	23.1 Å²	23.1	14%	0.141	13%	0.131	C	C	.	.			trans	-150.6	136.2	167.4	175.5	0	0	0	0	108.4	R293 E303	R293-T301 HydrophobicContact CB-CG2 4.37Å; R293-T301 VanDerWaalsContact CZ-CG2 3.48Å; T301-E303 WeakPolarHBondContact CG2-O 3.18Å; T301-E303 PolarHBondContact OG1-N 2.8Å; T301-E303 PolarHBondContact OG1-O 3.34Å
302	P	72.4	Confident	90.7	Very high	37 Å²	37	23 Å²	23	24%	0.24	13%	0.13	C	C	.	.	S	Bend	trans	-77.6	-14.7	167.6	32.3	-32.5	0	0	0	112
303	E	83.6	Confident	90.8	Very high	4 Å²	4	23 Å²	23	2%	0.019	13%	0.13	C	C	.	.	S	Bend	trans	-98	145.9	-178.4	-55.6	-179.1	135.1	0	0	111.8	Y161 H169 R181 Y291 T301 D305	Y161-E303 WeakPolarHBondContact CB-OE1 3.43Å; Y161-E303 HydrophobicContact CD1-CG 3.52Å; Y161-E303 WeakPolarHBondContact CD1-OE1 3.39Å; Y161-E303 HydrophobicContact CE1-CG 3.97Å; Y161-E303 HydrophobicContact CG-CG 3.79Å; H169-E303 IonicContact CD2-OE1 3.33Å; H169-E303 IonicContact CD2-OE2 3.72Å; H169-E303 IonicContact NE2-OE1 3.37Å; H169-E303 IonicContact NE2-OE2 3.54Å; H169-E303 PolarHBondContact NE2-OE2 3.44Å; R181-E303 IonicContact CZ-OE1 2.73Å; R181-E303 IonicContact CZ-OE2 3.63Å; R181-E303 VanDerWaalsContact NH1-CD 3.31Å; R181-E303 IonicContact NH1-OE1 3.66Å; R181-E303 PolarHBondContact NH1-OE1 2.64Å; R181-E303 VanDerWaalsContact NH1-OE1 3.13Å; R181-E303 IonicContact NH1-OE2 3.55Å; R181-E303 PolarHBondContact NH1-OE2 2.75Å; R181-E303 IonicContact NH2-OE1 3.75Å; R181-E303 PolarHBondContact NH2-OE1 3.2Å; R181-E303 IonicContact NH2-OE2 2.82Å; Y291-E303 HydrophobicContact CE2-CB 4.24Å; T301-E303 WeakPolarHBondContact CG2-O 3.18Å; T301-E303 PolarHBondContact OG1-N 2.8Å; T301-E303 PolarHBondContact OG1-O 3.34Å; E303-D305 PolarHBondContact O-N 3.39Å
304	P	89.3	Confident	91	Very high	13 Å²	13	22.6 Å²	22.6	8%	0.084	13%	0.129	C	C	.	.			trans	-78.5	75.7	175.1	33.4	-34.8	0	0	0	108.5	Y271 T289 H308	Y271-P304 HydrophobicContact CD2-CG 4.03Å; Y271-P304 HydrophobicContact CE1-CG 4.47Å; Y271-P304 HydrophobicContact CE2-CG 3.45Å; Y271-P304 VanDerWaalsContact CE2-CG 3.45Å; Y271-P304 WeakPolarHBondContact OH-CD 3.24Å; T289-P304 WeakPolarHBondContact CB-O 3.49Å; T289-P304 VanDerWaalsContact CG2-O 3.31Å; T289-P304 WeakPolarHBondContact CG2-O 3.37Å; T289-P304 PolarHBondContact OG1-O 2.65Å; P304-H308 WeakPolarHBondContact CB-CD2 3.39Å
305	D	94.8	Very high	91.2	Very high	0 Å²	0	21.5 Å²	21.5	0%	0	12%	0.124	C	C	.	.			trans	-71.1	172.3	174.1	82.7	-46.8	0	0	0	111.4	Y291 R293 E303 C307 H308 E309	Y291-D305 HydrophobicContact CD2-CB 4.03Å; Y291-D305 HydrophobicContact CE2-CB 3.93Å; Y291-D305 WeakPolarHBondContact O-CB 3.46Å; R293-D305 HydrophobicContact CB-CB 4.18Å; R293-D305 WeakPolarHBondContact CB-OD2 3.46Å; R293-D305 WeakPolarHBondContact CG-OD2 3.45Å; R293-D305 IonicContact CZ-OD1 3.2Å; R293-D305 IonicContact CZ-OD2 3.79Å; R293-D305 PolarHBondContact N-OD2 2.91Å; R293-D305 VanDerWaalsContact NE-CG 3.35Å; R293-D305 IonicContact NE-OD1 3.39Å; R293-D305 PolarHBondContact NE-OD1 3.05Å; R293-D305 IonicContact NE-OD2 2.65Å; R293-D305 PolarHBondContact NE-OD2 2.7Å; R293-D305 IonicContact NH2-OD1 3.54Å; R293-D305 PolarHBondContact NH2-OD1 3.12Å; R293-D305 IonicContact NH2-OD2 3.49Å; E303-D305 PolarHBondContact O-N 3.39Å; D305-C307 PolarHBondContact O-N 3.33Å; D305-C307 WeakPolarHBondContact OD1-CB 3.47Å; D305-C307 WeakPolarHBondContact OD2-CB 3.4Å; D305-C307 PolarHBondContact OD2-SG 3.22Å; D305-H308 WeakPolarHBondContact O-CA 3.43Å; D305-H308 WeakPolarHBondContact O-CB 3.46Å; D305-H308 PolarHBondContact O-N 3.47Å; D305-H308 PolarHBondContact OD1-N 3.41Å; D305-E309 WeakPolarHBondContact O-CG 3.35Å; D305-E309 PolarHBondContact O-N 3.36Å; D305-E309 VanDerWaalsContact O-N 3.14Å
306	T	95.6	Very high	91.4	Very high	1 Å²	1	19.6 Å²	19.6	1%	0.006	11%	0.111	C	C	.	.	H	α-helix	trans	-56.4	-27.8	-177.9	-156.3	0	0	0	0	113.5	W210 I247 Y291 V292 E309 L310	W210-T306 HydrophobicContact CE3-CG2 4.48Å; I247-T306 HydrophobicContact CG2-CG2 4.1Å; Y291-T306 PolarHBondContact O-N 3.07Å; V292-T306 HydrophobicContact CG2-CG2 3.83Å; T306-E309 PolarHBondContact O-N 3.05Å; T306-L310 VanDerWaalsContact O-CB 3.26Å; T306-L310 WeakPolarHBondContact O-CB 3.46Å; T306-L310 VanDerWaalsContact O-CG 3.25Å; T306-L310 WeakPolarHBondContact O-CG 3.33Å; T306-L310 PolarHBondContact O-N 2.81Å; T306-L310 WeakPolarHBondContact OG1-CD1 3.37Å
307	C	96.4	Very high	91.6	Very high	1 Å²	1	16 Å²	16	1%	0.007	9%	0.085	C	C	.	.	H	α-helix	trans	-62.2	-45.5	172.8	-55.8	0	0	0	0	111.7	W210 V213 D305 L311	W210-C307 HydrophobicContact CE3-CB 4.36Å; W210-C307 HydrophobicContact CZ3-CB 4.47Å; V213-C307 HydrophobicContact CG1-CB 4.12Å; D305-C307 PolarHBondContact O-N 3.33Å; D305-C307 WeakPolarHBondContact OD1-CB 3.47Å; D305-C307 WeakPolarHBondContact OD2-CB 3.4Å; D305-C307 PolarHBondContact OD2-SG 3.22Å; C307-L311 WeakPolarHBondContact O-CB 3.46Å; C307-L311 PolarHBondContact O-N 3.3Å
308	H	96.5	Very high	92.1	Very high	17 Å²	17	13 Å²	13	8%	0.079	7%	0.069	C	C	.	.	H	α-helix	trans	-63	-45.6	176.2	170.7	78.8	0	0	0	112	P304 D305 G312 H313 E353 S372	P304-H308 WeakPolarHBondContact CB-CD2 3.39Å; D305-H308 WeakPolarHBondContact O-CA 3.43Å; D305-H308 WeakPolarHBondContact O-CB 3.46Å; D305-H308 PolarHBondContact O-N 3.47Å; D305-H308 PolarHBondContact OD1-N 3.41Å; H308-G312 WeakPolarHBondContact O-CA 3.35Å; H308-G312 PolarHBondContact O-N 3.06Å; H308-H313 AromaticContact CD2-CD2 3.98Å; H308-H313 AromaticContact CD2-NE2 3.92Å; H308-H313 AromaticContact CE1-NE2 3.79Å; H308-H313 AromaticContact NE2-CD2 3.66Å; H308-H313 AromaticContact NE2-NE2 3.17Å; H308-H313 PolarHBondContact NE2-NE2 2.85Å; H308-H313 VanDerWaalsContact NE2-NE2 3.17Å; H308-E353 IonicContact CE1-OE2 3.11Å; H308-E353 PolarHBondContact CE1-OE2 2.85Å; H308-E353 VanDerWaalsContact CE1-OE2 3.23Å; H308-E353 IonicContact NE2-OE2 3.87Å; H308-E353 PolarHBondContact NE2-OE2 3.42Å; H308-S372 PolarHBondContact ND1-OG 3.14Å
309	E	97.3	Very high	92.6	Very high	8 Å²	8	12.9 Å²	12.9	4%	0.037	7%	0.066	C	C	.	.	I	π-helix	trans	-64.4	-52.1	-178	-50.9	-68.3	-161.2	0	0	111.9	F286 C288 T289 D305 T306 H313 V314	F286-E309 WeakPolarHBondContact CE1-OE2 3.48Å; F286-E309 VanDerWaalsContact CZ-OE2 3.28Å; F286-E309 WeakPolarHBondContact CZ-OE2 3.48Å; C288-E309 WeakPolarHBondContact SG-CB 3.42Å; T289-E309 PolarHBondContact N-OE1 2.68Å; D305-E309 WeakPolarHBondContact O-CG 3.35Å; D305-E309 PolarHBondContact O-N 3.36Å; D305-E309 VanDerWaalsContact O-N 3.14Å; T306-E309 PolarHBondContact O-N 3.05Å; E309-H313 WeakPolarHBondContact O-CB 3.42Å; E309-H313 PolarHBondContact O-N 3.34Å; E309-H313 VanDerWaalsContact O-N 3.11Å; E309-H313 IonicContact OE2-CD2 2.64Å; E309-H313 PolarHBondContact OE2-CD2 3.12Å; E309-V314 WeakPolarHBondContact O-CG2 3.46Å; E309-V314 PolarHBondContact O-N 2.86Å
310	L	97.6	Very high	93	Very high	3 Å²	3	12.4 Å²	12.4	2%	0.016	7%	0.067	C	C	.	.	I	π-helix	trans	-77.6	-36.3	-172	-62.5	-178.8	0	0	0	113.2	W210 I247 P248 L250 V253 T306 V314	W210-L310 HydrophobicContact CH2-CB 3.85Å; W210-L310 HydrophobicContact CH2-CD1 4.04Å; W210-L310 HydrophobicContact CZ3-CB 4.01Å; W210-L310 HydrophobicContact CZ3-CD1 3.99Å; I247-L310 HydrophobicContact CG2-CD1 4.21Å; P248-L310 HydrophobicContact CB-CD1 4Å; P248-L310 HydrophobicContact CG-CD1 4.07Å; L250-L310 HydrophobicContact CD2-CD2 3.83Å; V253-L310 HydrophobicContact CG1-CD2 4.4Å; V253-L310 HydrophobicContact CG2-CD2 4.09Å; T306-L310 VanDerWaalsContact O-CB 3.26Å; T306-L310 WeakPolarHBondContact O-CB 3.46Å; T306-L310 VanDerWaalsContact O-CG 3.25Å; T306-L310 WeakPolarHBondContact O-CG 3.33Å; T306-L310 PolarHBondContact O-N 2.81Å; T306-L310 WeakPolarHBondContact OG1-CD1 3.37Å; L310-V314 HydrophobicContact CD2-CG2 4Å
311	L	97.1	Very high	93.8	Very high	0 Å²	0	10.9 Å²	10.9	0%	0	7%	0.065	C	C	.	.	I	π-helix	trans	-93.5	-25.2	-179.7	-57.1	174.7	0	0	0	112.5	W210 V213 Y214 L217 Y229 C307	W210-L311 HydrophobicContact CH2-CD1 4.06Å; W210-L311 HydrophobicContact CH2-CD2 3.66Å; W210-L311 HydrophobicContact CH2-CG 3.65Å; W210-L311 HydrophobicContact CZ2-CD2 4Å; W210-L311 HydrophobicContact CZ2-CG 4.35Å; W210-L311 HydrophobicContact CZ3-CD1 4.16Å; W210-L311 HydrophobicContact CZ3-CD2 4.5Å; W210-L311 HydrophobicContact CZ3-CG 4.01Å; V213-L311 HydrophobicContact CG1-CD1 4.17Å; Y214-L311 HydrophobicContact CD2-CD1 4.5Å; Y214-L311 HydrophobicContact CD2-CD2 3.88Å; Y214-L311 HydrophobicContact CE2-CD2 4.25Å; L217-L311 HydrophobicContact CD1-CD1 3.99Å; Y229-L311 WeakPolarHBondContact CE2-O 3.28Å; Y229-L311 VanDerWaalsContact CZ-O 3.31Å; Y229-L311 PolarHBondContact OH-O 3.48Å; C307-L311 WeakPolarHBondContact O-CB 3.46Å; C307-L311 PolarHBondContact O-N 3.3Å
312	G	96.8	Very high	94.6	Very high	0 Å²	0	9.8 Å²	9.8	0%	0	6%	0.059	C	C	.	.	I	π-helix	trans	-87.5	-63.7	177.9	0	0	0	0	0	112.6	H308	H308-G312 WeakPolarHBondContact O-CA 3.35Å; H308-G312 PolarHBondContact O-N 3.06Å
313	H	98.4	Very high	95.7	Very high	4 Å²	4	8.1 Å²	8.1	2%	0.019	5%	0.048	C	C	.	.	I	π-helix	trans	-83.4	-48	-168.7	-70.9	-79.5	0	0	0	114.2	F286 H308 E309 L316 L317 E353 A368	F286-H313 HydrophobicContact CE1-CB 4.14Å; F286-H313 HydrophobicContact CE2-CB 4.28Å; F286-H313 AromaticContact CE2-CG 3.86Å; F286-H313 AromaticContact CE2-ND1 3.79Å; F286-H313 HydrophobicContact CZ-CB 3.83Å; F286-H313 AromaticContact CZ-CD2 3.44Å; F286-H313 VanDerWaalsContact CZ-CD2 3.44Å; F286-H313 WeakPolarHBondContact CZ-CD2 3.38Å; F286-H313 AromaticContact CZ-CG 3.44Å; F286-H313 VanDerWaalsContact CZ-CG 3.44Å; F286-H313 AromaticContact CZ-ND1 3.81Å; F286-H313 AromaticContact CZ-NE2 3.81Å; H308-H313 AromaticContact CD2-CD2 3.98Å; H308-H313 AromaticContact CD2-NE2 3.92Å; H308-H313 AromaticContact CE1-NE2 3.79Å; H308-H313 AromaticContact NE2-CD2 3.66Å; H308-H313 AromaticContact NE2-NE2 3.17Å; H308-H313 PolarHBondContact NE2-NE2 2.85Å; H308-H313 VanDerWaalsContact NE2-NE2 3.17Å; E309-H313 WeakPolarHBondContact O-CB 3.42Å; E309-H313 PolarHBondContact O-N 3.34Å; E309-H313 VanDerWaalsContact O-N 3.11Å; E309-H313 IonicContact OE2-CD2 2.64Å; E309-H313 PolarHBondContact OE2-CD2 3.12Å; H313-L316 PolarHBondContact O-N 3.33Å; H313-L317 HydrophobicContact CB-CD1 4.24Å; H313-L317 PolarHBondContact O-N 2.88Å; H313-E353 IonicContact CE1-OE1 3.27Å; H313-E353 PolarHBondContact CE1-OE1 3.28Å; H313-E353 IonicContact CE1-OE2 3.71Å; H313-E353 IonicContact NE2-OE1 2.66Å; H313-E353 PolarHBondContact NE2-OE1 3.34Å; H313-E353 IonicContact NE2-OE2 3.49Å; H313-A368 HydrophobicContact CB-CB 4.44Å; H313-A368 VanDerWaalsContact CD2-CB 3.49Å; H313-A368 WeakPolarHBondContact CD2-CB 3.23Å; H313-A368 WeakPolarHBondContact CE1-CB 3.4Å; H313-A368 WeakPolarHBondContact ND1-CB 3.11Å; H313-A368 VanDerWaalsContact NE2-CB 3.34Å; H313-A368 WeakPolarHBondContact NE2-CB 3.4Å
314	V	98.3	Very high	96.2	Very high	1 Å²	1	11.8 Å²	11.8	1%	0.006	7%	0.065	C	C	.	.	H	α-helix	trans	-55.2	-44.7	-167	171.6	0	0	0	0	113.8	L236 V253 L257 I265 E309 L310 L316 L317 A318	L236-V314 HydrophobicContact CD1-CB 4.28Å; L236-V314 HydrophobicContact CD1-CG1 3.71Å; L236-V314 HydrophobicContact CD2-CG1 3.59Å; L236-V314 HydrophobicContact CG-CG1 4.31Å; V253-V314 HydrophobicContact CG1-CB 4.3Å; V253-V314 HydrophobicContact CG1-CG1 3.45Å; V253-V314 VanDerWaalsContact CG1-CG1 3.45Å; V253-V314 HydrophobicContact CG1-CG2 3.78Å; L257-V314 HydrophobicContact CD1-CG1 4.36Å; L257-V314 HydrophobicContact CD2-CG1 4.27Å; L257-V314 HydrophobicContact CG-CG1 4.43Å; I265-V314 HydrophobicContact CD1-CG2 4.38Å; E309-V314 WeakPolarHBondContact O-CG2 3.46Å; E309-V314 PolarHBondContact O-N 2.86Å; L310-V314 HydrophobicContact CD2-CG2 4Å; V314-L316 PolarHBondContact O-N 3.46Å; V314-L317 PolarHBondContact O-N 2.91Å; V314-A318 PolarHBondContact O-N 3.29Å; V314-A318 VanDerWaalsContact O-N 3.16Å
315	P	98.2	Very high	96.4	Very high	0 Å²	0	11.2 Å²	11.2	0%	0	6%	0.061	C	C	.	.	H	α-helix	trans	-59.2	-32.5	-179.9	-27	36.8	0	0	0	113.8	Y229 N232 L233 L236	Y229-P315 HydrophobicContact CD2-CB 3.53Å; Y229-P315 HydrophobicContact CD2-CG 3.95Å; Y229-P315 HydrophobicContact CE2-CB 3.57Å; Y229-P315 HydrophobicContact CE2-CG 3.41Å; Y229-P315 VanDerWaalsContact CE2-CG 3.41Å; Y229-P315 HydrophobicContact CG-CB 4.2Å; N232-P315 HydrophobicContact CB-CB 4.32Å; N232-P315 WeakPolarHBondContact CB-O 3.45Å; N232-P315 PolarHBondContact ND2-O 3.17Å; L233-P315 HydrophobicContact CD1-CG 4.35Å; L236-P315 HydrophobicContact CD1-CG 3.71Å
316	L	98	Very high	96.5	Very high	1 Å²	1	11.2 Å²	11.2	1%	0.005	6%	0.062	C	C	.	.	H	α-helix	trans	-86.3	-31.7	178.7	-72.6	171.4	0	0	0	112.8	E228 Y229 H313 V314 A318 E319 F322 Y366 L371 F415	E228-L316 HydrophobicContact CB-CD2 4.27Å; Y229-L316 HydrophobicContact CD2-CG 4.33Å; H313-L316 PolarHBondContact O-N 3.33Å; V314-L316 PolarHBondContact O-N 3.46Å; L316-A318 PolarHBondContact O-N 3.23Å; L316-E319 WeakPolarHBondContact O-CB 3.11Å; L316-E319 PolarHBondContact O-N 2.82Å; L316-F322 HydrophobicContact CB-CD1 3.62Å; L316-F322 HydrophobicContact CB-CD2 4.2Å; L316-F322 HydrophobicContact CB-CE1 3.71Å; L316-F322 HydrophobicContact CB-CE2 4.29Å; L316-F322 HydrophobicContact CB-CG 3.86Å; L316-F322 HydrophobicContact CB-CZ 4.03Å; L316-F322 HydrophobicContact CD1-CD2 4.48Å; L316-F322 HydrophobicContact CD1-CE2 4.14Å; L316-F322 HydrophobicContact CD1-CZ 4.24Å; L316-F322 WeakPolarHBondContact O-CB 3.25Å; L316-F322 VanDerWaalsContact O-CD1 3.31Å; L316-F322 WeakPolarHBondContact O-CD1 3.46Å; L316-Y366 HydrophobicContact CD1-CD2 4.25Å; L316-Y366 WeakPolarHBondContact CD1-O 3.5Å; L316-L371 HydrophobicContact CD1-CD1 4.22Å; L316-F415 HydrophobicContact CD2-CE2 4.36Å; L316-F415 HydrophobicContact CD2-CZ 4.01Å
317	L	98.3	Very high	96.5	Very high	2 Å²	2	12 Å²	12	1%	0.01	7%	0.065	C	C	.	.	H	α-helix	trans	-61.2	-23.7	169.9	-66.9	176.4	0	0	0	112.3	L257 T261 F263 F286 H313 V314 E319 F322	L257-L317 HydrophobicContact CD1-CB 4.26Å; L257-L317 HydrophobicContact CD1-CD1 4.39Å; L257-L317 HydrophobicContact CD2-CB 3.83Å; T261-L317 WeakPolarHBondContact CB-O 3.38Å; T261-L317 VanDerWaalsContact CG2-O 3.27Å; T261-L317 WeakPolarHBondContact CG2-O 3.27Å; T261-L317 PolarHBondContact OG1-O 2.89Å; F263-L317 HydrophobicContact CD1-CD1 4.37Å; F263-L317 HydrophobicContact CD1-CD2 3.93Å; F263-L317 HydrophobicContact CE1-CD2 3.74Å; F263-L317 HydrophobicContact CE2-CD2 4.48Å; F263-L317 HydrophobicContact CG-CD2 4.39Å; F263-L317 HydrophobicContact CZ-CD2 4.04Å; F286-L317 HydrophobicContact CB-CD1 3.82Å; F286-L317 HydrophobicContact CD1-CD1 4.09Å; F286-L317 HydrophobicContact CD2-CD1 3.88Å; F286-L317 HydrophobicContact CG-CD1 3.64Å; H313-L317 HydrophobicContact CB-CD1 4.24Å; H313-L317 PolarHBondContact O-N 2.88Å; V314-L317 PolarHBondContact O-N 2.91Å; L317-E319 VanDerWaalsContact C-N 3.29Å; L317-F322 HydrophobicContact CD2-CD1 4.39Å; L317-F322 HydrophobicContact CD2-CE1 4.21Å
318	A	97.9	Very high	96.3	Very high	0 Å²	0	13.9 Å²	13.9	0%	0	7%	0.074	C	C	.	.	T	Hydrogen-bonded Turn	trans	-78.8	-5.5	172	0	0	0	0	0	114.4	N232 F256 L257 R260 V314 L316	N232-A318 HydrophobicContact CB-CB 4.31Å; F256-A318 HydrophobicContact CE1-CB 3.75Å; F256-A318 HydrophobicContact CZ-CB 4.16Å; L257-A318 HydrophobicContact CD2-CB 3.87Å; R260-A318 PolarHBondContact NH2-O 2.8Å; V314-A318 PolarHBondContact O-N 3.29Å; V314-A318 VanDerWaalsContact O-N 3.16Å; L316-A318 PolarHBondContact O-N 3.23Å
319	E	97.1	Very high	96.2	Very high	24 Å²	24	13.1 Å²	13.1	11%	0.112	7%	0.07	C	C	.	.	S	Bend	trans	-95.3	120.9	175.9	-173.2	58.7	-145.8	0	0	110.8	E228 K231 N232 L316 L317 S321 F322 A323	E228-E319 HydrophobicContact CB-CB 4.48Å; E228-E319 HydrophobicContact CB-CG 3.96Å; E228-E319 HydrophobicContact CG-CG 3.96Å; K231-E319 IonicContact NZ-OE1 3.83Å; K231-E319 IonicContact NZ-OE2 2.76Å; K231-E319 PolarHBondContact NZ-OE2 3.13Å; N232-E319 PolarHBondContact ND2-OE2 2.93Å; L316-E319 WeakPolarHBondContact O-CB 3.11Å; L316-E319 PolarHBondContact O-N 2.82Å; L317-E319 VanDerWaalsContact C-N 3.29Å; E319-S321 PolarHBondContact O-N 3.14Å; E319-F322 HydrophobicContact CB-CB 4.19Å; E319-F322 PolarHBondContact O-N 3.43Å; E319-F322 VanDerWaalsContact O-N 3.12Å; E319-A323 PolarHBondContact O-N 2.96Å
320	P	95.4	Very high	96.1	Very high	60 Å²	60	12.8 Å²	12.8	39%	0.39	7%	0.069	S	C	.	.	H	α-helix	trans	-55.1	-42.4	-173.8	-30	36.1	0	0	0	115.4	T261 F322 Q324	T261-P320 HydrophobicContact CG2-CG 4.29Å; P320-F322 VanDerWaalsContact C-N 3.34Å; P320-F322 PolarHBondContact O-N 3.11Å; P320-Q324 VanDerWaalsContact O-CG 3.3Å; P320-Q324 WeakPolarHBondContact O-CG 3.26Å; P320-Q324 PolarHBondContact O-N 3.45Å
321	S	92.5	Very high	96	Very high	29 Å²	29	13.7 Å²	13.7	20%	0.203	7%	0.074	C	C	.	.	H	α-helix	trans	-66.8	-37.5	-179.7	57.4	0	0	0	0	112.1	E319 F325	E319-S321 PolarHBondContact O-N 3.14Å; S321-F325 WeakPolarHBondContact O-CB 3.2Å; S321-F325 PolarHBondContact O-N 3.33Å
322	F	95.2	Very high	95.9	Very high	1 Å²	1	13.9 Å²	13.9	0%	0.004	8%	0.075	C	C	.	.	H	α-helix	trans	-73.4	-42.2	178.4	-172.7	-88.8	0	0	0	111.3	L316 L317 E319 P320 Q324 F325 S326 V352 Y366 F415	L316-F322 HydrophobicContact CB-CD1 3.62Å; L316-F322 HydrophobicContact CB-CD2 4.2Å; L316-F322 HydrophobicContact CB-CE1 3.71Å; L316-F322 HydrophobicContact CB-CE2 4.29Å; L316-F322 HydrophobicContact CB-CG 3.86Å; L316-F322 HydrophobicContact CB-CZ 4.03Å; L316-F322 HydrophobicContact CD1-CD2 4.48Å; L316-F322 HydrophobicContact CD1-CE2 4.14Å; L316-F322 HydrophobicContact CD1-CZ 4.24Å; L316-F322 WeakPolarHBondContact O-CB 3.25Å; L316-F322 VanDerWaalsContact O-CD1 3.31Å; L316-F322 WeakPolarHBondContact O-CD1 3.46Å; L317-F322 HydrophobicContact CD2-CD1 4.39Å; L317-F322 HydrophobicContact CD2-CE1 4.21Å; E319-F322 HydrophobicContact CB-CB 4.19Å; E319-F322 PolarHBondContact O-N 3.43Å; E319-F322 VanDerWaalsContact O-N 3.12Å; P320-F322 VanDerWaalsContact C-N 3.34Å; P320-F322 PolarHBondContact O-N 3.11Å; F322-Q324 VanDerWaalsContact C-N 3.32Å; F322-Q324 PolarHBondContact O-N 3.4Å; F322-F325 HydrophobicContact CD2-CD1 4.4Å; F322-F325 HydrophobicContact CE2-CD1 4.37Å; F322-F325 WeakPolarHBondContact O-CB 3.47Å; F322-F325 PolarHBondContact O-N 3.09Å; F322-F325 VanDerWaalsContact O-N 3.11Å; F322-S326 WeakPolarHBondContact CE1-OG 3.44Å; F322-S326 PolarHBondContact O-N 3.24Å; F322-S326 PolarHBondContact O-OG 2.99Å; F322-V352 HydrophobicContact CE1-CG1 4.45Å; F322-V352 HydrophobicContact CE2-CG2 4.49Å; F322-V352 HydrophobicContact CZ-CB 4.28Å; F322-V352 HydrophobicContact CZ-CG1 3.92Å; F322-V352 HydrophobicContact CZ-CG2 3.95Å; F322-Y366 HydrophobicContact CD2-CD2 4.43Å; F322-Y366 AromaticContact CE2-CD2 3.71Å; F322-Y366 HydrophobicContact CE2-CD2 3.71Å; F322-Y366 AromaticContact CE2-CE2 3.87Å; F322-Y366 HydrophobicContact CE2-CE2 3.87Å; F322-F415 HydrophobicContact CD2-CD1 4.03Å; F322-F415 AromaticContact CD2-CE1 3.9Å; F322-F415 HydrophobicContact CD2-CE1 3.9Å; F322-F415 HydrophobicContact CD2-CZ 4.27Å; F322-F415 HydrophobicContact CE2-CE1 4.42Å
323	A	96.3	Very high	95.8	Very high	1 Å²	1	14 Å²	14	1%	0.008	8%	0.075	C	C	.	.	H	α-helix	trans	-57.4	-43.4	173.4	0	0	0	0	0	112.2	T261 F263 E319 S326 Q327	T261-A323 HydrophobicContact CG2-CB 3.87Å; F263-A323 HydrophobicContact CD2-CB 3.72Å; F263-A323 HydrophobicContact CE2-CB 3.68Å; F263-A323 WeakPolarHBondContact CE2-O 3.28Å; E319-A323 PolarHBondContact O-N 2.96Å; A323-S326 PolarHBondContact O-N 2.86Å; A323-Q327 WeakPolarHBondContact O-CB 3.14Å; A323-Q327 PolarHBondContact O-N 3.27Å
324	Q	93.7	Very high	95.7	Very high	82 Å²	82	13.8 Å²	13.8	38%	0.383	8%	0.075	S	C	.	.	H	α-helix	trans	-63	-43.6	173.9	-72.7	175.1	15.6	0	0	112	P320 F322 Q327 E328 K419	P320-Q324 VanDerWaalsContact O-CG 3.3Å; P320-Q324 WeakPolarHBondContact O-CG 3.26Å; P320-Q324 PolarHBondContact O-N 3.45Å; F322-Q324 VanDerWaalsContact C-N 3.32Å; F322-Q324 PolarHBondContact O-N 3.4Å; Q324-Q327 PolarHBondContact O-N 3.32Å; Q324-E328 PolarHBondContact O-N 3.49Å; Q324-K419 HydrophobicContact CB-CD 4.24Å
325	F	93.4	Very high	95.3	Very high	0 Å²	0	14 Å²	14	0%	0	8%	0.076	C	C	.	.	H	α-helix	trans	-58.1	-50.5	175.9	168	-110.3	0	0	0	111.9	S321 F322 Q327 E328 I329 T351 V352 A418 K419 M422	S321-F325 WeakPolarHBondContact O-CB 3.2Å; S321-F325 PolarHBondContact O-N 3.33Å; F322-F325 HydrophobicContact CD2-CD1 4.4Å; F322-F325 HydrophobicContact CE2-CD1 4.37Å; F322-F325 WeakPolarHBondContact O-CB 3.47Å; F322-F325 PolarHBondContact O-N 3.09Å; F322-F325 VanDerWaalsContact O-N 3.11Å; F325-Q327 VanDerWaalsContact C-N 3.31Å; F325-Q327 PolarHBondContact O-N 2.9Å; F325-E328 WeakPolarHBondContact O-CB 3.46Å; F325-E328 PolarHBondContact O-N 2.98Å; F325-I329 HydrophobicContact CE1-CD1 3.9Å; F325-I329 HydrophobicContact CE2-CD1 4.13Å; F325-I329 HydrophobicContact CE2-CG1 4.49Å; F325-I329 HydrophobicContact CZ-CD1 3.69Å; F325-I329 PolarHBondContact O-N 3.14Å; F325-T351 HydrophobicContact CZ-CG2 4.02Å; F325-T351 WeakPolarHBondContact CZ-OG1 3.31Å; F325-V352 HydrophobicContact CD1-CG2 4.37Å; F325-V352 HydrophobicContact CE1-CG2 3.8Å; F325-A418 HydrophobicContact CD2-CB 4.34Å; F325-A418 HydrophobicContact CE2-CB 3.91Å; F325-A418 HydrophobicContact CZ-CB 4.3Å; F325-K419 HydrophobicContact CB-CB 4.33Å; F325-K419 HydrophobicContact CD2-CB 4.12Å; F325-M422 HydrophobicContact CD2-CG 4.48Å; F325-M422 HydrophobicContact CE2-CB 4.16Å; F325-M422 HydrophobicContact CE2-CG 3.56Å; F325-M422 HydrophobicContact CZ-CG 4.27Å
326	S	95.8	Very high	95.1	Very high	1 Å²	1	14 Å²	14	1%	0.007	8%	0.076	C	C	.	.	H	α-helix	trans	-61	-39.8	177.6	-57.5	0	0	0	0	112.2	F322 A323 I329 G330	F322-S326 WeakPolarHBondContact CE1-OG 3.44Å; F322-S326 PolarHBondContact O-N 3.24Å; F322-S326 PolarHBondContact O-OG 2.99Å; A323-S326 PolarHBondContact O-N 2.86Å; S326-I329 PolarHBondContact O-N 3.26Å; S326-G330 PolarHBondContact O-N 3.28Å
327	Q	96	Very high	94.8	Very high	16 Å²	16	16.3 Å²	16.3	8%	0.075	9%	0.093	C	C	.	.	H	α-helix	trans	-66	-38.5	176.7	-174.1	177.9	27.9	0	0	112.6	L281 A282 R284 A323 Q324 F325 I329 G330 L331	L281-Q327 WeakPolarHBondContact O-CA 3.33Å; A282-Q327 WeakPolarHBondContact O-CG 3.22Å; A282-Q327 PolarHBondContact O-NE2 3.39Å; R284-Q327 HydrophobicContact CG-CB 4.33Å; R284-Q327 HydrophobicContact CG-CG 4.19Å; R284-Q327 VanDerWaalsContact CZ-OE1 3.27Å; A323-Q327 WeakPolarHBondContact O-CB 3.14Å; A323-Q327 PolarHBondContact O-N 3.27Å; Q324-Q327 PolarHBondContact O-N 3.32Å; F325-Q327 VanDerWaalsContact C-N 3.31Å; F325-Q327 PolarHBondContact O-N 2.9Å; Q327-I329 VanDerWaalsContact C-N 3.31Å; Q327-I329 PolarHBondContact O-N 3.47Å; Q327-G330 CarbonylContact O-C 3.57Å; Q327-G330 WeakPolarHBondContact O-CA 3.43Å; Q327-G330 PolarHBondContact O-N 2.99Å; Q327-G330 VanDerWaalsContact O-N 3.1Å; Q327-L331 HydrophobicContact CG-CD1 4.13Å; Q327-L331 HydrophobicContact CG-CG 4.37Å; Q327-L331 WeakPolarHBondContact O-CG 3.42Å; Q327-L331 PolarHBondContact O-N 3.16Å
328	E	92.5	Very high	94.5	Very high	42 Å²	42	21.9 Å²	21.9	20%	0.196	12%	0.123	C	C	.	.	H	α-helix	trans	-61.2	-40.4	177.2	-170	82.3	-136.7	0	0	111.2	Q324 F325 G330 L331 A332 R423	Q324-E328 PolarHBondContact O-N 3.49Å; F325-E328 WeakPolarHBondContact O-CB 3.46Å; F325-E328 PolarHBondContact O-N 2.98Å; E328-G330 VanDerWaalsContact C-N 3.32Å; E328-G330 PolarHBondContact O-N 2.9Å; E328-L331 PolarHBondContact O-N 3.46Å; E328-A332 WeakPolarHBondContact O-CB 3.27Å; E328-A332 PolarHBondContact O-N 3.4Å; E328-R423 HydrophobicContact CG-CB 4.5Å; E328-R423 IonicContact OE1-NE 2.96Å; E328-R423 IonicContact OE2-CZ 3.38Å; E328-R423 IonicContact OE2-NE 2.95Å; E328-R423 PolarHBondContact OE2-NE 3.46Å; E328-R423 IonicContact OE2-NH2 2.63Å; E328-R423 PolarHBondContact OE2-NH2 3.33Å
329	I	94.4	Very high	94.2	Very high	1 Å²	1	26.4 Å²	26.4	1%	0.005	15%	0.147	C	C	.	.	H	α-helix	trans	-60.4	-44.3	172.9	-58.9	177	0	0	0	110.3	L278 F325 S326 Q327 A332 S333 Y348 V352 M422	L278-I329 HydrophobicContact CD2-CG2 3.89Å; F325-I329 HydrophobicContact CE1-CD1 3.9Å; F325-I329 HydrophobicContact CE2-CD1 4.13Å; F325-I329 HydrophobicContact CE2-CG1 4.49Å; F325-I329 HydrophobicContact CZ-CD1 3.69Å; F325-I329 PolarHBondContact O-N 3.14Å; S326-I329 PolarHBondContact O-N 3.26Å; Q327-I329 VanDerWaalsContact C-N 3.31Å; Q327-I329 PolarHBondContact O-N 3.47Å; I329-A332 PolarHBondContact O-N 3.22Å; I329-S333 PolarHBondContact O-N 3.17Å; I329-Y348 HydrophobicContact CD1-CD2 4.22Å; I329-V352 HydrophobicContact CD1-CG2 4.42Å; I329-M422 HydrophobicContact CG1-CE 4.15Å
330	G	96.2	Very high	94.1	Very high	0 Å²	0	26 Å²	26	0%	0	15%	0.147	C	C	.	.	H	α-helix	trans	-63.4	-44	177.6	0	0	0	0	0	113.1	L278 S326 Q327 E328 A332 S333	L278-G330 WeakPolarHBondContact O-CA 3.5Å; S326-G330 PolarHBondContact O-N 3.28Å; Q327-G330 CarbonylContact O-C 3.57Å; Q327-G330 WeakPolarHBondContact O-CA 3.43Å; Q327-G330 PolarHBondContact O-N 2.99Å; Q327-G330 VanDerWaalsContact O-N 3.1Å; E328-G330 VanDerWaalsContact C-N 3.32Å; E328-G330 PolarHBondContact O-N 2.9Å; G330-A332 VanDerWaalsContact C-N 3.27Å; G330-A332 PolarHBondContact O-N 3.29Å; G330-S333 PolarHBondContact O-N 3.39Å; G330-S333 VanDerWaalsContact O-N 3.1Å; G330-S333 PolarHBondContact O-OG 2.9Å
331	L	95.1	Very high	94.1	Very high	23 Å²	23	23.4 Å²	23.4	12%	0.12	13%	0.13	C	C	.	.	H	α-helix	trans	-64.8	-32.5	177	-71.4	168.7	0	0	0	112.6	A282 Q327 E328 S333 L334 R431 V435	A282-L331 HydrophobicContact CB-CD2 3.99Å; A282-L331 HydrophobicContact CB-CG 4.22Å; Q327-L331 HydrophobicContact CG-CD1 4.13Å; Q327-L331 HydrophobicContact CG-CG 4.37Å; Q327-L331 WeakPolarHBondContact O-CG 3.42Å; Q327-L331 PolarHBondContact O-N 3.16Å; E328-L331 PolarHBondContact O-N 3.46Å; L331-S333 VanDerWaalsContact C-N 3.27Å; L331-S333 PolarHBondContact O-N 2.6Å; L331-L334 HydrophobicContact CD2-CD1 4.16Å; L331-R431 PolarHBondContact O-NH1 3.14Å; L331-V435 HydrophobicContact CB-CG2 4.32Å; L331-V435 HydrophobicContact CD2-CG2 4.14Å; L331-V435 WeakPolarHBondContact O-CG2 3.43Å
332	A	94.2	Very high	94.2	Very high	4 Å²	4	27 Å²	27	3%	0.033	14%	0.143	C	C	.	.	H	α-helix	trans	-68	-25.9	174.7	0	0	0	0	0	112.7	E328 I329 G330 L344 A426 I429	E328-A332 WeakPolarHBondContact O-CB 3.27Å; E328-A332 PolarHBondContact O-N 3.4Å; I329-A332 PolarHBondContact O-N 3.22Å; G330-A332 VanDerWaalsContact C-N 3.27Å; G330-A332 PolarHBondContact O-N 3.29Å; A332-L344 HydrophobicContact CB-CD1 3.9Å; A332-L344 HydrophobicContact CB-CD2 3.92Å; A332-A426 HydrophobicContact CB-CB 3.67Å; A332-I429 HydrophobicContact CB-CD1 4.17Å
333	S	95.8	Very high	94.2	Very high	1 Å²	1	30.2 Å²	30.2	1%	0.007	16%	0.157	C	C	.	.	H	α-helix	trans	-80.4	-23.9	-179.4	81.8	0	0	0	0	113.6	I329 G330 L331 G335 A336	I329-S333 PolarHBondContact O-N 3.17Å; G330-S333 PolarHBondContact O-N 3.39Å; G330-S333 VanDerWaalsContact O-N 3.1Å; G330-S333 PolarHBondContact O-OG 2.9Å; L331-S333 VanDerWaalsContact C-N 3.27Å; L331-S333 PolarHBondContact O-N 2.6Å; S333-G335 PolarHBondContact O-N 3.45Å; S333-A336 WeakPolarHBondContact O-CB 3.46Å; S333-A336 PolarHBondContact O-N 2.85Å; S333-A336 VanDerWaalsContact O-N 3.14Å
334	L	94.9	Very high	94.2	Very high	1 Å²	1	30.2 Å²	30.2	1%	0.005	16%	0.157	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64.6	119.7	-177.7	-55.9	-174.1	0	0	0	111.5	F144 A279 A282 L331 A336 R431 V435 V444	F144-L334 HydrophobicContact CB-CB 4.27Å; F144-L334 HydrophobicContact CB-CD2 4.06Å; F144-L334 HydrophobicContact CD2-CB 3.82Å; F144-L334 HydrophobicContact CD2-CD1 4.18Å; F144-L334 HydrophobicContact CD2-CD2 4.27Å; F144-L334 HydrophobicContact CD2-CG 4.31Å; F144-L334 HydrophobicContact CE2-CB 4.31Å; F144-L334 HydrophobicContact CG-CB 4Å; F144-L334 HydrophobicContact CG-CD2 4.5Å; A279-L334 HydrophobicContact CB-CD2 3.87Å; A282-L334 HydrophobicContact CB-CD1 3.8Å; A282-L334 HydrophobicContact CB-CD2 4.08Å; A282-L334 HydrophobicContact CB-CG 4.05Å; L331-L334 HydrophobicContact CD2-CD1 4.16Å; L334-A336 PolarHBondContact O-N 2.95Å; L334-R431 PolarHBondContact O-NH1 3.42Å; L334-V435 HydrophobicContact CB-CG2 4.45Å; L334-V435 HydrophobicContact CD1-CG2 4.34Å; L334-V444 HydrophobicContact CD1-CB 4.29Å; L334-V444 HydrophobicContact CD1-CG1 3.84Å; L334-V444 HydrophobicContact CD1-CG2 3.63Å
335	G	90.8	Very high	94.3	Very high	4 Å²	4	27.1 Å²	27.1	4%	0.041	15%	0.146	C	C	.	.	T	Hydrogen-bonded Turn	trans	69.6	8.8	-178.2	0	0	0	0	0	114.7	S333	S333-G335 PolarHBondContact O-N 3.45Å
336	A	93.4	Very high	94.4	Very high	0 Å²	0	27.5 Å²	27.5	0%	0	15%	0.148	C	C	.	.			trans	-78	151.1	177.8	0	0	0	0	0	111.3	R275 S333 L334 V341 I429	R275-A336 VanDerWaalsContact CZ-O 3.27Å; R275-A336 PolarHBondContact NH1-O 3.24Å; R275-A336 PolarHBondContact NH2-O 2.92Å; S333-A336 WeakPolarHBondContact O-CB 3.46Å; S333-A336 PolarHBondContact O-N 2.85Å; S333-A336 VanDerWaalsContact O-N 3.14Å; L334-A336 PolarHBondContact O-N 2.95Å; A336-V341 HydrophobicContact CB-CG2 4.07Å; A336-I429 HydrophobicContact CB-CG2 3.78Å
337	S	92.6	Very high	94.4	Very high	51 Å²	51	27.4 Å²	27.4	36%	0.357	15%	0.148	S	C	.	.			trans	-63.1	159.7	173.4	67.1	0	0	0	0	112.2	D339 S340 V341	S337-D339 VanDerWaalsContact C-N 3.31Å; S337-D339 PolarHBondContact O-N 3.46Å; S337-S340 WeakPolarHBondContact O-CB 3.32Å; S337-S340 PolarHBondContact O-N 3.26Å; S337-S340 PolarHBondContact OG-N 2.84Å; S337-S340 PolarHBondContact OG-OG 3.04Å; S337-V341 WeakPolarHBondContact O-CG2 3.2Å; S337-V341 PolarHBondContact O-N 3.28Å
338	D	90.6	Very high	94.5	Very high	119 Å²	119	27.4 Å²	27.4	64%	0.636	15%	0.147	S	C	*	.	H	α-helix	trans	-58.6	-40.7	179.7	-70.9	-21.5	0	0	0	112.8	R275 S340 V341 Q342	R275-D338 IonicContact CZ-OD1 2.86Å; R275-D338 IonicContact NE-OD1 3.13Å; R275-D338 PolarHBondContact NE-OD1 3.19Å; R275-D338 IonicContact NH2-OD1 3.48Å; R275-D338 PolarHBondContact NH2-OD1 3.05Å; D338-S340 VanDerWaalsContact C-N 3.32Å; D338-S340 PolarHBondContact O-N 2.93Å; D338-V341 PolarHBondContact O-N 3.17Å; D338-Q342 WeakPolarHBondContact O-CB 3.47Å; D338-Q342 PolarHBondContact O-N 3.34Å
339	D	92.9	Very high	94.6	Very high	95 Å²	95	26.9 Å²	26.9	51%	0.508	14%	0.144	S	C	.	.	H	α-helix	trans	-59.9	-41.4	173.7	169.8	72.4	0	0	0	112	S337 Q342 K343	S337-D339 VanDerWaalsContact C-N 3.31Å; S337-D339 PolarHBondContact O-N 3.46Å; D339-Q342 PolarHBondContact O-N 3.47Å; D339-K343 WeakPolarHBondContact O-CG 3.32Å; D339-K343 PolarHBondContact O-N 2.95Å; D339-K343 WeakPolarHBondContact OD1-CE 3.29Å; D339-K343 IonicContact OD1-NZ 3.86Å; D339-K343 PolarHBondContact OD1-NZ 2.73Å; D339-K343 WeakPolarHBondContact OD2-CE 3.35Å; D339-K343 IonicContact OD2-NZ 2.99Å; D339-K343 PolarHBondContact OD2-NZ 2.92Å
340	S	94.8	Very high	94.7	Very high	14 Å²	14	26.9 Å²	26.9	10%	0.098	14%	0.144	C	C	.	.	H	α-helix	trans	-68.8	-40.7	177.4	-58.4	0	0	0	0	111.6	S337 D338 Q342 K343 L344	S337-S340 WeakPolarHBondContact O-CB 3.32Å; S337-S340 PolarHBondContact O-N 3.26Å; S337-S340 PolarHBondContact OG-N 2.84Å; S337-S340 PolarHBondContact OG-OG 3.04Å; D338-S340 VanDerWaalsContact C-N 3.32Å; D338-S340 PolarHBondContact O-N 2.93Å; S340-Q342 VanDerWaalsContact C-N 3.33Å; S340-K343 PolarHBondContact O-N 3.18Å; S340-L344 WeakPolarHBondContact O-CG 3.18Å; S340-L344 PolarHBondContact O-N 2.68Å
341	V	94.9	Very high	94.7	Very high	6 Å²	6	26.9 Å²	26.9	4%	0.036	14%	0.144	C	C	.	.	H	α-helix	trans	-61.8	-42.4	174.7	170.1	0	0	0	0	110.7	P274 R275 L278 A336 S337 D338 K343 L344 A345	P274-V341 HydrophobicContact CB-CG1 4.04Å; R275-V341 HydrophobicContact CB-CG1 4.08Å; L278-V341 HydrophobicContact CD1-CG1 4.45Å; A336-V341 HydrophobicContact CB-CG2 4.07Å; S337-V341 WeakPolarHBondContact O-CG2 3.2Å; S337-V341 PolarHBondContact O-N 3.28Å; D338-V341 PolarHBondContact O-N 3.17Å; V341-K343 VanDerWaalsContact C-N 3.35Å; V341-K343 PolarHBondContact O-N 2.92Å; V341-L344 WeakPolarHBondContact O-CB 3.26Å; V341-L344 PolarHBondContact O-N 3.43Å; V341-A345 WeakPolarHBondContact O-CB 3.12Å; V341-A345 PolarHBondContact O-N 3.4Å
342	Q	94.4	Very high	94.7	Very high	104 Å²	104	25.9 Å²	25.9	49%	0.486	14%	0.139	S	C	.	.	H	α-helix	trans	-62.3	-43.3	177.2	-173	58.4	48.9	0	0	111.5	D338 D339 S340 L344 A345 T346	D338-Q342 WeakPolarHBondContact O-CB 3.47Å; D338-Q342 PolarHBondContact O-N 3.34Å; D339-Q342 PolarHBondContact O-N 3.47Å; S340-Q342 VanDerWaalsContact C-N 3.33Å; Q342-L344 VanDerWaalsContact C-N 3.35Å; Q342-L344 PolarHBondContact O-N 2.77Å; Q342-A345 WeakPolarHBondContact O-CB 3.41Å; Q342-A345 PolarHBondContact O-N 3.32Å; Q342-T346 PolarHBondContact O-N 2.96Å; Q342-T346 PolarHBondContact O-OG1 3.48Å; Q342-T346 VanDerWaalsContact O-OG1 3.12Å
343	K	95.9	Very high	94.8	Very high	70 Å²	70	27 Å²	27	30%	0.304	14%	0.143	S	C	.	.	H	α-helix	trans	-61.4	-42	174.7	-72.6	168.8	-179.6	160.6	0	112.4	D339 S340 V341 T346 C347 F425	D339-K343 WeakPolarHBondContact O-CG 3.32Å; D339-K343 PolarHBondContact O-N 2.95Å; D339-K343 WeakPolarHBondContact OD1-CE 3.29Å; D339-K343 IonicContact OD1-NZ 3.86Å; D339-K343 PolarHBondContact OD1-NZ 2.73Å; D339-K343 WeakPolarHBondContact OD2-CE 3.35Å; D339-K343 IonicContact OD2-NZ 2.99Å; D339-K343 PolarHBondContact OD2-NZ 2.92Å; S340-K343 PolarHBondContact O-N 3.18Å; V341-K343 VanDerWaalsContact C-N 3.35Å; V341-K343 PolarHBondContact O-N 2.92Å; K343-T346 PolarHBondContact O-N 3.2Å; K343-C347 PolarHBondContact O-N 3.23Å; K343-C347 PolarHBondContact O-SG 3.43Å; K343-F425 HydrophobicContact CB-CE1 4.42Å; K343-F425 HydrophobicContact CB-CZ 4.06Å
344	L	96.1	Very high	94.8	Very high	0 Å²	0	27.6 Å²	27.6	0%	0	15%	0.146	C	C	.	.	H	α-helix	trans	-63.9	-40.9	174.4	-73.7	173	0	0	0	111.8	L278 A332 S340 V341 Q342 T346 C347 Y348 M422 F425 I429	L278-L344 HydrophobicContact CD1-CB 3.94Å; A332-L344 HydrophobicContact CB-CD1 3.9Å; A332-L344 HydrophobicContact CB-CD2 3.92Å; S340-L344 WeakPolarHBondContact O-CG 3.18Å; S340-L344 PolarHBondContact O-N 2.68Å; V341-L344 WeakPolarHBondContact O-CB 3.26Å; V341-L344 PolarHBondContact O-N 3.43Å; Q342-L344 VanDerWaalsContact C-N 3.35Å; Q342-L344 PolarHBondContact O-N 2.77Å; L344-T346 VanDerWaalsContact C-N 3.35Å; L344-C347 PolarHBondContact O-N 2.93Å; L344-Y348 WeakPolarHBondContact O-CB 3.44Å; L344-Y348 PolarHBondContact O-N 2.91Å; L344-M422 HydrophobicContact CD2-CE 3.65Å; L344-F425 HydrophobicContact CD2-CD1 4.19Å; L344-F425 HydrophobicContact CD2-CE1 4.11Å; L344-I429 HydrophobicContact CD1-CD1 3.67Å; L344-I429 HydrophobicContact CD2-CD1 3.89Å; L344-I429 HydrophobicContact CG-CD1 3.85Å
345	A	95.3	Very high	94.9	Very high	17 Å²	17	27.6 Å²	27.6	14%	0.14	15%	0.146	C	C	.	.	H	α-helix	trans	-63.5	-40.5	176.4	0	0	0	0	0	111.5	P274 L278 V341 Q342 Y348 F349	P274-A345 HydrophobicContact CB-CB 3.81Å; P274-A345 HydrophobicContact CG-CB 4.46Å; L278-A345 HydrophobicContact CD1-CB 4.3Å; V341-A345 WeakPolarHBondContact O-CB 3.12Å; V341-A345 PolarHBondContact O-N 3.4Å; Q342-A345 WeakPolarHBondContact O-CB 3.41Å; Q342-A345 PolarHBondContact O-N 3.32Å; A345-Y348 WeakPolarHBondContact O-CB 3.04Å; A345-Y348 PolarHBondContact O-N 2.98Å; A345-F349 WeakPolarHBondContact O-CB 3.34Å; A345-F349 PolarHBondContact O-N 2.95Å
346	T	96.3	Very high	95.2	Very high	8 Å²	8	27.4 Å²	27.4	5%	0.049	14%	0.144	C	C	.	.	H	α-helix	trans	-63.2	-43.8	172.5	-58.6	0	0	0	0	111.6	Q342 K343 L344 Y348 F349 F350 T395 Q398	Q342-T346 PolarHBondContact O-N 2.96Å; Q342-T346 PolarHBondContact O-OG1 3.48Å; Q342-T346 VanDerWaalsContact O-OG1 3.12Å; K343-T346 PolarHBondContact O-N 3.2Å; L344-T346 VanDerWaalsContact C-N 3.35Å; T346-Y348 VanDerWaalsContact C-N 3.34Å; T346-Y348 PolarHBondContact O-N 3.01Å; T346-F349 PolarHBondContact O-N 3.06Å; T346-F350 HydrophobicContact CG2-CD2 3.81Å; T346-F350 HydrophobicContact CG2-CE2 3.95Å; T346-F350 WeakPolarHBondContact O-CD2 3.5Å; T346-F350 PolarHBondContact O-N 3.32Å; T346-T395 WeakPolarHBondContact CG2-O 3.44Å; T346-Q398 VanDerWaalsContact CG2-O 3.24Å; T346-Q398 WeakPolarHBondContact CG2-O 3.12Å
347	C	96.5	Very high	95.3	Very high	0 Å²	0	27.5 Å²	27.5	0%	0	15%	0.145	C	C	.	.	H	α-helix	trans	-62	-41.1	174	-72.4	0	0	0	0	112.1	K343 L344 T351 M422	K343-C347 PolarHBondContact O-N 3.23Å; K343-C347 PolarHBondContact O-SG 3.43Å; L344-C347 PolarHBondContact O-N 2.93Å; C347-T351 WeakPolarHBondContact O-CB 3.41Å; C347-T351 WeakPolarHBondContact O-CG2 3.46Å; C347-T351 PolarHBondContact O-N 2.88Å; C347-T351 VanDerWaalsContact O-N 3.12Å; C347-T351 PolarHBondContact O-OG1 3.45Å; C347-M422 HydrophobicContact CB-CE 3.83Å; C347-M422 HydrophobicContact CB-SD 3.79Å
348	Y	96.1	Very high	95.3	Very high	15 Å²	15	30.1 Å²	30.1	6%	0.059	15%	0.15	C	C	.	.	H	α-helix	trans	-59.2	-48.4	174	179.3	-86.4	0	0	0	110.8	F277 L278 L281 I329 L344 A345 T346 F350 T351 V352 E353	F277-Y348 AromaticContact CE1-CE1 3.8Å; F277-Y348 HydrophobicContact CE1-CE1 3.8Å; F277-Y348 HydrophobicContact CE1-CE2 4.05Å; F277-Y348 AromaticContact CE1-CZ 3.51Å; F277-Y348 WeakPolarHBondContact CE1-OH 3.48Å; F277-Y348 HydrophobicContact CZ-CE1 4.42Å; F277-Y348 WeakPolarHBondContact CZ-OH 3.38Å; L278-Y348 HydrophobicContact CD2-CD2 3.97Å; L278-Y348 HydrophobicContact CD2-CG 4.11Å; L281-Y348 HydrophobicContact CD1-CD2 3.86Å; L281-Y348 HydrophobicContact CD1-CE2 3.45Å; L281-Y348 VanDerWaalsContact CD1-CE2 3.45Å; I329-Y348 HydrophobicContact CD1-CD2 4.22Å; L344-Y348 WeakPolarHBondContact O-CB 3.44Å; L344-Y348 PolarHBondContact O-N 2.91Å; A345-Y348 WeakPolarHBondContact O-CB 3.04Å; A345-Y348 PolarHBondContact O-N 2.98Å; T346-Y348 VanDerWaalsContact C-N 3.34Å; T346-Y348 PolarHBondContact O-N 3.01Å; Y348-F350 PolarHBondContact O-N 2.94Å; Y348-T351 CarbonylContact O-C 3.1Å; Y348-T351 PolarHBondContact O-N 3.47Å; Y348-T351 VanDerWaalsContact O-N 3.13Å; Y348-T351 PolarHBondContact O-OG1 2.84Å; Y348-V352 HydrophobicContact CD1-CB 4.27Å; Y348-V352 HydrophobicContact CD2-CB 3.84Å; Y348-V352 HydrophobicContact CD2-CG1 4.34Å; Y348-V352 HydrophobicContact CD2-CG2 3.69Å; Y348-V352 HydrophobicContact CE1-CB 4.01Å; Y348-V352 HydrophobicContact CE1-CG1 4Å; Y348-V352 HydrophobicContact CE2-CB 3.55Å; Y348-V352 HydrophobicContact CE2-CG1 3.53Å; Y348-V352 HydrophobicContact CE2-CG2 3.6Å; Y348-V352 HydrophobicContact CG-CB 4.18Å; Y348-V352 HydrophobicContact CG-CG2 4.37Å; Y348-V352 WeakPolarHBondContact O-CA 3.42Å; Y348-V352 PolarHBondContact O-N 3.38Å; Y348-V352 VanDerWaalsContact OH-CG1 3.27Å; Y348-V352 WeakPolarHBondContact OH-CG1 3.47Å; Y348-E353 HydrophobicContact CD1-CG 4.22Å; Y348-E353 HydrophobicContact CE1-CG 3.93Å; Y348-E353 WeakPolarHBondContact CE1-OE1 3.21Å; Y348-E353 PolarHBondContact O-N 2.59Å
349	F	95.8	Very high	95.3	Very high	32 Å²	32	26.3 Å²	26.3	14%	0.14	13%	0.128	C	C	.	.	I	π-helix	trans	-58.2	-49.5	179	-169.9	-92.2	0	0	0	111.9	A345 T346 T351 E353 F354 C400 I402	A345-F349 WeakPolarHBondContact O-CB 3.34Å; A345-F349 PolarHBondContact O-N 2.95Å; T346-F349 PolarHBondContact O-N 3.06Å; F349-T351 PolarHBondContact O-N 3.16Å; F349-E353 HydrophobicContact CD2-CB 4.3Å; F349-E353 HydrophobicContact CD2-CG 4.16Å; F349-E353 VanDerWaalsContact O-CB 3.23Å; F349-E353 WeakPolarHBondContact O-CB 3.22Å; F349-E353 PolarHBondContact O-N 3.15Å; F349-F354 AromaticContact CD1-CD2 3.86Å; F349-F354 HydrophobicContact CD1-CD2 3.86Å; F349-F354 HydrophobicContact CD1-CE2 4.39Å; F349-F354 HydrophobicContact CD2-CD2 4.34Å; F349-F354 HydrophobicContact CD2-CE2 4.26Å; F349-F354 AromaticContact CE1-CD2 3.46Å; F349-F354 HydrophobicContact CE1-CD2 3.46Å; F349-F354 VanDerWaalsContact CE1-CD2 3.46Å; F349-F354 AromaticContact CE1-CE2 3.71Å; F349-F354 HydrophobicContact CE1-CE2 3.71Å; F349-F354 HydrophobicContact CE1-CG 4.48Å; F349-F354 AromaticContact CE2-CD2 4Å; F349-F354 HydrophobicContact CE2-CD2 4Å; F349-F354 AromaticContact CE2-CE2 3.57Å; F349-F354 HydrophobicContact CE2-CE2 3.57Å; F349-F354 HydrophobicContact CG-CD2 4.28Å; F349-F354 AromaticContact CZ-CD2 3.55Å; F349-F354 HydrophobicContact CZ-CD2 3.55Å; F349-F354 AromaticContact CZ-CE2 3.25Å; F349-F354 HydrophobicContact CZ-CE2 3.25Å; F349-F354 HydrophobicContact CZ-CZ 4.3Å; F349-F354 PolarHBondContact O-N 2.86Å; F349-C400 HydrophobicContact CD1-CB 3.77Å; F349-C400 VanDerWaalsContact CD1-SG 3.57Å; F349-C400 HydrophobicContact CD2-CB 4.3Å; F349-C400 HydrophobicContact CE1-CB 3.73Å; F349-C400 HydrophobicContact CE2-CB 4.26Å; F349-C400 HydrophobicContact CG-CB 4.05Å; F349-C400 HydrophobicContact CZ-CB 3.97Å; F349-I402 HydrophobicContact CE2-CG2 4.33Å
350	F	96.4	Very high	95.1	Very high	1 Å²	1	30.5 Å²	30.5	0%	0.004	14%	0.144	C	C	.	.	I	π-helix	trans	-79.8	3.6	-179.8	-74.8	-66.7	0	0	0	115	T346 Y348 T395 Q398 E399 V408 F410	T346-F350 HydrophobicContact CG2-CD2 3.81Å; T346-F350 HydrophobicContact CG2-CE2 3.95Å; T346-F350 WeakPolarHBondContact O-CD2 3.5Å; T346-F350 PolarHBondContact O-N 3.32Å; Y348-F350 PolarHBondContact O-N 2.94Å; F350-T395 HydrophobicContact CB-CG2 3.39Å; F350-T395 HydrophobicContact CD2-CG2 3.91Å; F350-T395 HydrophobicContact CG-CG2 3.92Å; F350-Q398 HydrophobicContact CD2-CB 4.15Å; F350-Q398 HydrophobicContact CD2-CG 4.23Å; F350-Q398 HydrophobicContact CE1-CG 4.08Å; F350-Q398 HydrophobicContact CE2-CB 3.6Å; F350-Q398 HydrophobicContact CE2-CG 3.39Å; F350-Q398 HydrophobicContact CZ-CB 4.08Å; F350-Q398 HydrophobicContact CZ-CG 3.31Å; F350-E399 WeakPolarHBondContact CZ-O 3.13Å; F350-V408 WeakPolarHBondContact CE1-O 3.43Å; F350-F410 HydrophobicContact CB-CD2 3.6Å; F350-F410 HydrophobicContact CB-CE2 4.13Å; F350-F410 HydrophobicContact CB-CG 4.4Å; F350-F410 AromaticContact CD1-CD2 3.53Å; F350-F410 HydrophobicContact CD1-CD2 3.53Å; F350-F410 AromaticContact CD1-CE2 3.7Å; F350-F410 HydrophobicContact CD1-CE2 3.7Å; F350-F410 HydrophobicContact CD2-CD2 4.48Å; F350-F410 HydrophobicContact CD2-CE2 4.19Å; F350-F410 HydrophobicContact CE1-CD2 4.37Å; F350-F410 HydrophobicContact CE1-CE2 4.18Å; F350-F410 AromaticContact CG-CD2 3.6Å; F350-F410 HydrophobicContact CG-CD2 3.6Å; F350-F410 AromaticContact CG-CE2 3.72Å; F350-F410 HydrophobicContact CG-CE2 3.72Å
351	T	95.4	Very high	94.7	Very high	0 Å²	0	32.4 Å²	32.4	0%	0	17%	0.166	C	C	.	.	I	π-helix	trans	-119.8	-72.7	173	55.3	0	0	0	0	111.2	F325 C347 Y348 F349 E353 G355 Y366 F390	F325-T351 HydrophobicContact CZ-CG2 4.02Å; F325-T351 WeakPolarHBondContact CZ-OG1 3.31Å; C347-T351 WeakPolarHBondContact O-CB 3.41Å; C347-T351 WeakPolarHBondContact O-CG2 3.46Å; C347-T351 PolarHBondContact O-N 2.88Å; C347-T351 VanDerWaalsContact O-N 3.12Å; C347-T351 PolarHBondContact O-OG1 3.45Å; Y348-T351 CarbonylContact O-C 3.1Å; Y348-T351 PolarHBondContact O-N 3.47Å; Y348-T351 VanDerWaalsContact O-N 3.13Å; Y348-T351 PolarHBondContact O-OG1 2.84Å; F349-T351 PolarHBondContact O-N 3.16Å; T351-E353 PolarHBondContact O-N 3.36Å; T351-G355 WeakPolarHBondContact O-CA 3.36Å; T351-G355 PolarHBondContact O-N 3.27Å; T351-Y366 WeakPolarHBondContact CA-OH 3.29Å; T351-Y366 WeakPolarHBondContact CB-OH 3.47Å; T351-Y366 WeakPolarHBondContact O-CE2 3.23Å; T351-F390 HydrophobicContact CG2-CD1 4.3Å; T351-F390 HydrophobicContact CG2-CD2 3.75Å; T351-F390 HydrophobicContact CG2-CE1 3.92Å; T351-F390 HydrophobicContact CG2-CE2 3.32Å; T351-F390 HydrophobicContact CG2-CG 4.22Å; T351-F390 HydrophobicContact CG2-CZ 3.4Å; T351-F390 VanDerWaalsContact CG2-CZ 3.4Å
352	V	96	Very high	94.6	Very high	2 Å²	2	37.5 Å²	37.5	1%	0.012	19%	0.19	C	C	.	.	I	π-helix	trans	-65.4	-34.8	-176.6	178.5	0	0	0	0	112.4	F322 F325 I329 Y348 G367 A368	F322-V352 HydrophobicContact CE1-CG1 4.45Å; F322-V352 HydrophobicContact CE2-CG2 4.49Å; F322-V352 HydrophobicContact CZ-CB 4.28Å; F322-V352 HydrophobicContact CZ-CG1 3.92Å; F322-V352 HydrophobicContact CZ-CG2 3.95Å; F325-V352 HydrophobicContact CD1-CG2 4.37Å; F325-V352 HydrophobicContact CE1-CG2 3.8Å; I329-V352 HydrophobicContact CD1-CG2 4.42Å; Y348-V352 HydrophobicContact CD1-CB 4.27Å; Y348-V352 HydrophobicContact CD2-CB 3.84Å; Y348-V352 HydrophobicContact CD2-CG1 4.34Å; Y348-V352 HydrophobicContact CD2-CG2 3.69Å; Y348-V352 HydrophobicContact CE1-CB 4.01Å; Y348-V352 HydrophobicContact CE1-CG1 4Å; Y348-V352 HydrophobicContact CE2-CB 3.55Å; Y348-V352 HydrophobicContact CE2-CG1 3.53Å; Y348-V352 HydrophobicContact CE2-CG2 3.6Å; Y348-V352 HydrophobicContact CG-CB 4.18Å; Y348-V352 HydrophobicContact CG-CG2 4.37Å; Y348-V352 WeakPolarHBondContact O-CA 3.42Å; Y348-V352 PolarHBondContact O-N 3.38Å; Y348-V352 VanDerWaalsContact OH-CG1 3.27Å; Y348-V352 WeakPolarHBondContact OH-CG1 3.47Å; V352-G367 CarbonylContact O-C 3.54Å; V352-G367 WeakPolarHBondContact O-CA 3.43Å; V352-A368 PolarHBondContact O-N 2.74Å
353	E	95.6	Very high	94.6	Very high	27 Å²	27	35.3 Å²	35.3	13%	0.126	18%	0.181	C	C	.	.	I	π-helix	trans	-88.7	-46.4	179	-61	-65.5	162.4	0	0	113.5	H308 H313 Y348 F349 T351 G367 A368 G369 L370	H308-E353 IonicContact CE1-OE2 3.11Å; H308-E353 PolarHBondContact CE1-OE2 2.85Å; H308-E353 VanDerWaalsContact CE1-OE2 3.23Å; H308-E353 IonicContact NE2-OE2 3.87Å; H308-E353 PolarHBondContact NE2-OE2 3.42Å; H313-E353 IonicContact CE1-OE1 3.27Å; H313-E353 PolarHBondContact CE1-OE1 3.28Å; H313-E353 IonicContact CE1-OE2 3.71Å; H313-E353 IonicContact NE2-OE1 2.66Å; H313-E353 PolarHBondContact NE2-OE1 3.34Å; H313-E353 IonicContact NE2-OE2 3.49Å; Y348-E353 HydrophobicContact CD1-CG 4.22Å; Y348-E353 HydrophobicContact CE1-CG 3.93Å; Y348-E353 WeakPolarHBondContact CE1-OE1 3.21Å; Y348-E353 PolarHBondContact O-N 2.59Å; F349-E353 HydrophobicContact CD2-CB 4.3Å; F349-E353 HydrophobicContact CD2-CG 4.16Å; F349-E353 VanDerWaalsContact O-CB 3.23Å; F349-E353 WeakPolarHBondContact O-CB 3.22Å; F349-E353 PolarHBondContact O-N 3.15Å; T351-E353 PolarHBondContact O-N 3.36Å; E353-G367 VanDerWaalsContact C-CA 3.45Å; E353-G367 CarbonylContact O-C 3.5Å; E353-G367 WeakPolarHBondContact O-CA 3.41Å; E353-A368 PolarHBondContact O-N 3.41Å; E353-A368 VanDerWaalsContact O-N 3.12Å; E353-G369 WeakPolarHBondContact O-CA 3.43Å; E353-G369 PolarHBondContact O-N 3.38Å; E353-L370 PolarHBondContact O-N 3.18Å
354	F	96.2	Very high	94.6	Very high	14 Å²	14	35 Å²	35	6%	0.061	18%	0.178	C	C	.	.	T	Hydrogen-bonded Turn	trans	-129.4	23.3	-170.8	-65.2	-78.2	0	0	0	114.1	F349 L370 E376 Q406 Y409	F349-F354 AromaticContact CD1-CD2 3.86Å; F349-F354 HydrophobicContact CD1-CD2 3.86Å; F349-F354 HydrophobicContact CD1-CE2 4.39Å; F349-F354 HydrophobicContact CD2-CD2 4.34Å; F349-F354 HydrophobicContact CD2-CE2 4.26Å; F349-F354 AromaticContact CE1-CD2 3.46Å; F349-F354 HydrophobicContact CE1-CD2 3.46Å; F349-F354 VanDerWaalsContact CE1-CD2 3.46Å; F349-F354 AromaticContact CE1-CE2 3.71Å; F349-F354 HydrophobicContact CE1-CE2 3.71Å; F349-F354 HydrophobicContact CE1-CG 4.48Å; F349-F354 AromaticContact CE2-CD2 4Å; F349-F354 HydrophobicContact CE2-CD2 4Å; F349-F354 AromaticContact CE2-CE2 3.57Å; F349-F354 HydrophobicContact CE2-CE2 3.57Å; F349-F354 HydrophobicContact CG-CD2 4.28Å; F349-F354 AromaticContact CZ-CD2 3.55Å; F349-F354 HydrophobicContact CZ-CD2 3.55Å; F349-F354 AromaticContact CZ-CE2 3.25Å; F349-F354 HydrophobicContact CZ-CE2 3.25Å; F349-F354 HydrophobicContact CZ-CZ 4.3Å; F349-F354 PolarHBondContact O-N 2.86Å; F354-L370 HydrophobicContact CD1-CD2 3.94Å; F354-L370 HydrophobicContact CD1-CG 4.03Å; F354-E376 WeakPolarHBondContact CE1-OE1 3.43Å; F354-E376 WeakPolarHBondContact CE1-OE2 3.29Å; F354-Q406 HydrophobicContact CB-CG 4.31Å; F354-Q406 HydrophobicContact CD1-CG 3.96Å; F354-Q406 HydrophobicContact CD2-CG 4.34Å; F354-Q406 HydrophobicContact CE1-CG 4.43Å; F354-Q406 HydrophobicContact CG-CG 3.93Å; F354-Y409 HydrophobicContact CB-CD1 4.26Å; F354-Y409 HydrophobicContact CB-CE1 4.41Å; F354-Y409 HydrophobicContact CD1-CE1 4.24Å
355	G	96.1	Very high	94.7	Very high	0 Å²	0	35 Å²	35	0%	0	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.6	144.6	-178.8	0	0	0	0	0	114.5	T351 Y366 G367	T351-G355 WeakPolarHBondContact O-CA 3.36Å; T351-G355 PolarHBondContact O-N 3.27Å; G355-Y366 VanDerWaalsContact C-CE1 3.41Å; G355-Y366 WeakPolarHBondContact O-CD1 3.49Å; G355-Y366 PolarHBondContact O-N 3.19Å; G355-Y366 VanDerWaalsContact O-N 3.14Å; G355-G367 PolarHBondContact O-N 2.94Å
356	L	97	Very high	94.8	Very high	0 Å²	0	34.3 Å²	34.3	0%	0	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.1	150.4	172.5	-61.2	177.6	0	0	0	110.3	R364 A365 Y366 L370 L381 I387 Y409 F410 V411 S412	L356-R364 CarbonylContact C-O 3.56Å; L356-R364 WeakPolarHBondContact CA-O 3.33Å; L356-A365 HydrophobicContact CD2-CB 4.14Å; L356-Y366 VanDerWaalsContact C-CE1 3.45Å; L356-Y366 VanDerWaalsContact O-CE1 3.28Å; L356-Y366 WeakPolarHBondContact O-CE1 3.47Å; L356-L370 HydrophobicContact CD2-CD1 3.51Å; L356-L370 HydrophobicContact CG-CD1 4.33Å; L356-L381 HydrophobicContact CD2-CD2 4.09Å; L356-I387 HydrophobicContact CD1-CD1 3.89Å; L356-I387 HydrophobicContact CD1-CG1 4.15Å; L356-I387 HydrophobicContact CD1-CG2 4.46Å; L356-Y409 HydrophobicContact CD1-CG 4.32Å; L356-F410 PolarHBondContact N-O 3.42Å; L356-V411 HydrophobicContact CB-CB 4.25Å; L356-V411 HydrophobicContact CB-CG2 4.3Å; L356-V411 VanDerWaalsContact O-CA 3.25Å; L356-V411 WeakPolarHBondContact O-CA 3.47Å; L356-S412 PolarHBondContact O-N 3.12Å
357	C	95.5	Very high	94.8	Very high	3 Å²	3	34 Å²	34	2%	0.02	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.3	159.8	170.2	67.7	0	0	0	0	112	C226 R364 Y366 S412	C226-C357 VanDerWaalsContact CB-SG 3.54Å; C357-R364 PolarHBondContact N-O 2.72Å; C357-R364 PolarHBondContact O-N 2.97Å; C357-Y366 HydrophobicContact CB-CD1 3.93Å; C357-Y366 HydrophobicContact CB-CE1 4.25Å; C357-S412 WeakPolarHBondContact CA-O 3.24Å
358	K	92.8	Very high	94.8	Very high	106 Å²	106	34 Å²	34	46%	0.461	17%	0.17	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.7	118.7	175.1	-165.2	173.6	-178.6	178.3	0	110.1	Q362 V411 S412	K358-Q362 CarbonylContact C-O 3.56Å; K358-Q362 WeakPolarHBondContact CA-O 3.42Å; K358-V411 HydrophobicContact CB-CG2 4.37Å; K358-S412 PolarHBondContact N-O 3.2Å; K358-S412 VanDerWaalsContact N-O 3.15Å
359	Q	90.9	Very high	94.7	Very high	38 Å²	38	33.6 Å²	33.6	18%	0.178	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.4	122.9	178.3	-67	-175.8	-36.3	0	0	108.8	E228 G361 Q362 R364	E228-Q359 PolarHBondContact OE1-NE2 3.14Å; E228-Q359 PolarHBondContact OE2-NE2 2.65Å; Q359-G361 PolarHBondContact O-N 3.18Å; Q359-G361 VanDerWaalsContact O-N 3.17Å; Q359-Q362 PolarHBondContact N-O 3.18Å; Q359-Q362 PolarHBondContact O-N 3.16Å; Q359-R364 HydrophobicContact CB-CG 4.35Å
360	E	88.5	Confident	94.7	Very high	183 Å²	183	32 Å²	32	86%	0.855	16%	0.163	S	C	*	.	T	Hydrogen-bonded Turn	trans	54.7	37	179	-58.9	172.7	-169.1	0	0	112.9	Q362	E360-Q362 PolarHBondContact O-N 3.18Å
361	G	87.1	Confident	94.7	Very high	54 Å²	54	32 Å²	32	56%	0.557	16%	0.163	S	C	*	.	T	Hydrogen-bonded Turn	trans	79.5	-6.7	-178.5	0	0	0	0	0	115	Q359	Q359-G361 PolarHBondContact O-N 3.18Å; Q359-G361 VanDerWaalsContact O-N 3.17Å
362	Q	92.3	Very high	94.6	Very high	113 Å²	113	32.5 Å²	32.5	53%	0.528	17%	0.167	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.6	148.5	-179.5	-60.6	-63.9	-35.7	0	0	111.6	K358 Q359 E360	K358-Q362 CarbonylContact C-O 3.56Å; K358-Q362 WeakPolarHBondContact CA-O 3.42Å; Q359-Q362 PolarHBondContact N-O 3.18Å; Q359-Q362 PolarHBondContact O-N 3.16Å; E360-Q362 PolarHBondContact O-N 3.18Å
363	L	95.1	Very high	94.4	Very high	59 Å²	59	33 Å²	33	31%	0.309	17%	0.171	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.4	139.1	171.5	-71.2	165.6	0	0	0	110.5	L381 I387 V411	L363-L381 HydrophobicContact CB-CD2 3.61Å; L363-I387 HydrophobicContact CD1-CD1 3.3Å; L363-I387 HydrophobicContact CD2-CD1 4.49Å; L363-I387 HydrophobicContact CG-CD1 4.5Å; L363-V411 HydrophobicContact CD2-CB 4.36Å; L363-V411 HydrophobicContact CD2-CG2 3.71Å
364	R	96.5	Very high	94.1	Very high	64 Å²	64	32.6 Å²	32.6	24%	0.242	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.4	149.7	176.1	-64.7	-63.2	-178.1	-106.7	4.2	110.1	T223 H224 A225 C226 L356 C357 Q359	T223-R364 PolarHBondContact O-NH1 3.29Å; H224-R364 CarbonylContact O-C 3.54Å; H224-R364 WeakPolarHBondContact O-CA 3.45Å; A225-R364 WeakPolarHBondContact O-CD 3.35Å; C226-R364 HydrophobicContact CB-CB 4.11Å; L356-R364 CarbonylContact C-O 3.56Å; L356-R364 WeakPolarHBondContact CA-O 3.33Å; C357-R364 PolarHBondContact N-O 2.72Å; C357-R364 PolarHBondContact O-N 2.97Å; Q359-R364 HydrophobicContact CB-CG 4.35Å
365	A	97.3	Very high	93.7	Very high	0 Å²	0	34.6 Å²	34.6	0%	0	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.5	138.6	175.9	0	0	0	0	0	111	H224 C226 L356 L370 L371 L377 L381	H224-A365 PolarHBondContact O-N 3.48Å; C226-A365 PolarHBondContact N-O 3.27Å; L356-A365 HydrophobicContact CD2-CB 4.14Å; A365-L370 HydrophobicContact CB-CB 4.07Å; A365-L370 HydrophobicContact CB-CD1 3.98Å; A365-L371 HydrophobicContact CB-CD2 4.3Å; A365-L377 HydrophobicContact CB-CD1 3.43Å; A365-L377 VanDerWaalsContact CB-CD1 3.43Å; A365-L381 HydrophobicContact CB-CD1 4.49Å
366	Y	97	Very high	93.5	Very high	2 Å²	2	34.6 Å²	34.6	1%	0.008	18%	0.184	C	C	.	.			trans	-129.5	-13.5	165.3	76.8	-98.5	0	0	0	111.8	L316 F322 T351 G355 L356 C357 A368 L371 F415	L316-Y366 HydrophobicContact CD1-CD2 4.25Å; L316-Y366 WeakPolarHBondContact CD1-O 3.5Å; F322-Y366 HydrophobicContact CD2-CD2 4.43Å; F322-Y366 AromaticContact CE2-CD2 3.71Å; F322-Y366 HydrophobicContact CE2-CD2 3.71Å; F322-Y366 AromaticContact CE2-CE2 3.87Å; F322-Y366 HydrophobicContact CE2-CE2 3.87Å; T351-Y366 WeakPolarHBondContact CA-OH 3.29Å; T351-Y366 WeakPolarHBondContact CB-OH 3.47Å; T351-Y366 WeakPolarHBondContact O-CE2 3.23Å; G355-Y366 VanDerWaalsContact C-CE1 3.41Å; G355-Y366 WeakPolarHBondContact O-CD1 3.49Å; G355-Y366 PolarHBondContact O-N 3.19Å; G355-Y366 VanDerWaalsContact O-N 3.14Å; L356-Y366 VanDerWaalsContact C-CE1 3.45Å; L356-Y366 VanDerWaalsContact O-CE1 3.28Å; L356-Y366 WeakPolarHBondContact O-CE1 3.47Å; C357-Y366 HydrophobicContact CB-CD1 3.93Å; C357-Y366 HydrophobicContact CB-CE1 4.25Å; Y366-A368 PolarHBondContact O-N 3.08Å; Y366-L371 WeakPolarHBondContact O-CD1 3.48Å; Y366-F415 AromaticContact CD1-CE1 3.83Å; Y366-F415 HydrophobicContact CD1-CE1 3.83Å; Y366-F415 HydrophobicContact CD1-CZ 4.49Å; Y366-F415 AromaticContact CD2-CE1 3.69Å; Y366-F415 HydrophobicContact CD2-CE1 3.69Å; Y366-F415 HydrophobicContact CD2-CZ 4.4Å; Y366-F415 HydrophobicContact CE1-CE1 4.16Å; Y366-F415 HydrophobicContact CE2-CE1 4.04Å; Y366-F415 AromaticContact CG-CE1 3.57Å; Y366-F415 HydrophobicContact CG-CE1 3.57Å; Y366-F415 HydrophobicContact CG-CZ 4.06Å
367	G	96.8	Very high	93.3	Very high	0 Å²	0	34.6 Å²	34.6	0%	0	18%	0.184	C	C	.	.			trans	-59.7	130.5	173.9	0	0	0	0	0	112.2	V352 E353 G355 G369 L370 L371	V352-G367 CarbonylContact O-C 3.54Å; V352-G367 WeakPolarHBondContact O-CA 3.43Å; E353-G367 VanDerWaalsContact C-CA 3.45Å; E353-G367 CarbonylContact O-C 3.5Å; E353-G367 WeakPolarHBondContact O-CA 3.41Å; G355-G367 PolarHBondContact O-N 2.94Å; G367-G369 PolarHBondContact O-N 3.33Å; G367-L370 WeakPolarHBondContact O-CB 3.36Å; G367-L370 PolarHBondContact O-N 2.58Å; G367-L370 VanDerWaalsContact O-N 3.12Å; G367-L371 WeakPolarHBondContact O-CG 3.47Å; G367-L371 PolarHBondContact O-N 2.73Å
368	A	96.6	Very high	93.1	Very high	1 Å²	1	39.8 Å²	39.8	1%	0.008	21%	0.207	C	C	.	.	H	α-helix	trans	-59.7	-43.8	-179.4	0	0	0	0	0	112.6	H313 V352 E353 Y366 L370 L371 S372	H313-A368 HydrophobicContact CB-CB 4.44Å; H313-A368 VanDerWaalsContact CD2-CB 3.49Å; H313-A368 WeakPolarHBondContact CD2-CB 3.23Å; H313-A368 WeakPolarHBondContact CE1-CB 3.4Å; H313-A368 WeakPolarHBondContact ND1-CB 3.11Å; H313-A368 VanDerWaalsContact NE2-CB 3.34Å; H313-A368 WeakPolarHBondContact NE2-CB 3.4Å; V352-A368 PolarHBondContact O-N 2.74Å; E353-A368 PolarHBondContact O-N 3.41Å; E353-A368 VanDerWaalsContact O-N 3.12Å; Y366-A368 PolarHBondContact O-N 3.08Å; A368-L370 PolarHBondContact O-N 2.8Å; A368-L371 CarbonylContact O-C 3.58Å; A368-L371 PolarHBondContact O-N 2.86Å; A368-L371 VanDerWaalsContact O-N 3.12Å; A368-S372 WeakPolarHBondContact O-CB 3.49Å; A368-S372 PolarHBondContact O-N 3.13Å; A368-S372 PolarHBondContact O-OG 2.89Å
369	G	94.3	Very high	93.1	Very high	6 Å²	6	37 Å²	37	6%	0.062	20%	0.195	C	C	.	.	H	α-helix	trans	-58.8	-33.4	174.5	0	0	0	0	0	113.4	E353 G367 S373	E353-G369 WeakPolarHBondContact O-CA 3.43Å; E353-G369 PolarHBondContact O-N 3.38Å; G367-G369 PolarHBondContact O-N 3.33Å; G369-S373 WeakPolarHBondContact O-CB 3.33Å; G369-S373 PolarHBondContact O-N 3.33Å
370	L	94.8	Very high	93.2	Very high	0 Å²	0	35.1 Å²	35.1	0%	0	19%	0.187	C	C	.	.	H	α-helix	trans	-72.3	-49.3	171.3	-63.2	177.2	0	0	0	111	E353 F354 L356 A365 G367 A368 S372 S373 E376 L377 A380 Y409	E353-L370 PolarHBondContact O-N 3.18Å; F354-L370 HydrophobicContact CD1-CD2 3.94Å; F354-L370 HydrophobicContact CD1-CG 4.03Å; L356-L370 HydrophobicContact CD2-CD1 3.51Å; L356-L370 HydrophobicContact CG-CD1 4.33Å; A365-L370 HydrophobicContact CB-CB 4.07Å; A365-L370 HydrophobicContact CB-CD1 3.98Å; G367-L370 WeakPolarHBondContact O-CB 3.36Å; G367-L370 PolarHBondContact O-N 2.58Å; G367-L370 VanDerWaalsContact O-N 3.12Å; A368-L370 PolarHBondContact O-N 2.8Å; L370-S372 PolarHBondContact O-N 2.67Å; L370-S373 PolarHBondContact O-N 3.07Å; L370-S373 VanDerWaalsContact O-N 3.13Å; L370-E376 HydrophobicContact CD2-CB 4.33Å; L370-E376 HydrophobicContact CD2-CG 3.75Å; L370-L377 HydrophobicContact CB-CD1 4.12Å; L370-L377 WeakPolarHBondContact O-CB 3.34Å; L370-A380 HydrophobicContact CD1-CB 4.3Å; L370-A380 HydrophobicContact CD2-CB 3.78Å; L370-Y409 HydrophobicContact CD1-CD1 4.46Å; L370-Y409 HydrophobicContact CD2-CD1 4.4Å; L370-Y409 HydrophobicContact CD2-CE1 3.76Å
371	L	96.4	Very high	93.5	Very high	0 Å²	0	28.4 Å²	28.4	0%	0	16%	0.156	C	C	.	.	H	α-helix	trans	-68.6	-15.5	-175.6	-69	166	0	0	0	113.3	L217 Y221 A225 Y229 L316 A365 Y366 G367 A368	L217-L371 WeakPolarHBondContact CD1-O 3.47Å; L217-L371 WeakPolarHBondContact CD2-O 3.21Å; Y221-L371 HydrophobicContact CD1-CD2 4.19Å; Y221-L371 HydrophobicContact CE1-CB 4.5Å; Y221-L371 HydrophobicContact CE1-CD2 4.12Å; Y221-L371 WeakPolarHBondContact CE1-O 3.31Å; Y221-L371 PolarHBondContact OH-O 3.17Å; Y221-L371 VanDerWaalsContact OH-O 3.07Å; A225-L371 HydrophobicContact CB-CD2 3.64Å; Y229-L371 HydrophobicContact CD2-CD1 3.45Å; Y229-L371 VanDerWaalsContact CD2-CD1 3.45Å; Y229-L371 HydrophobicContact CD2-CD2 4.34Å; Y229-L371 HydrophobicContact CD2-CG 4.42Å; Y229-L371 HydrophobicContact CE1-CD2 4.48Å; Y229-L371 HydrophobicContact CE2-CB 4.26Å; Y229-L371 HydrophobicContact CE2-CD1 3.63Å; Y229-L371 HydrophobicContact CE2-CD2 4.3Å; Y229-L371 HydrophobicContact CE2-CG 4.29Å; Y229-L371 HydrophobicContact CG-CD1 4.17Å; Y229-L371 HydrophobicContact CG-CD2 4.45Å; L316-L371 HydrophobicContact CD1-CD1 4.22Å; A365-L371 HydrophobicContact CB-CD2 4.3Å; Y366-L371 WeakPolarHBondContact O-CD1 3.48Å; G367-L371 WeakPolarHBondContact O-CG 3.47Å; G367-L371 PolarHBondContact O-N 2.73Å; A368-L371 CarbonylContact O-C 3.58Å; A368-L371 PolarHBondContact O-N 2.86Å; A368-L371 VanDerWaalsContact O-N 3.12Å
372	S	94.6	Very high	93.7	Very high	10 Å²	10	28.5 Å²	28.5	7%	0.07	15%	0.148	C	C	.	.	T	Hydrogen-bonded Turn	trans	-105	2.4	174.5	70.3	0	0	0	0	114.6	H308 A368 L370	H308-S372 PolarHBondContact ND1-OG 3.14Å; A368-S372 WeakPolarHBondContact O-CB 3.49Å; A368-S372 PolarHBondContact O-N 3.13Å; A368-S372 PolarHBondContact O-OG 2.89Å; L370-S372 PolarHBondContact O-N 2.67Å
373	S	91.1	Very high	93.5	Very high	14 Å²	14	26.2 Å²	26.2	10%	0.098	16%	0.156	C	C	.	.			trans	-128	104.5	-174.9	-179.8	0	0	0	0	111.1	G369 L370 S375 E376 L377	G369-S373 WeakPolarHBondContact O-CB 3.33Å; G369-S373 PolarHBondContact O-N 3.33Å; L370-S373 PolarHBondContact O-N 3.07Å; L370-S373 VanDerWaalsContact O-N 3.13Å; S373-S375 VanDerWaalsContact C-N 3.33Å; S373-S375 PolarHBondContact O-N 3.5Å; S373-E376 PolarHBondContact O-N 3.22Å; S373-E376 VanDerWaalsContact OG-CB 3.3Å; S373-E376 WeakPolarHBondContact OG-CB 3.41Å; S373-E376 PolarHBondContact OG-N 3.15Å; S373-L377 VanDerWaalsContact O-CB 3.22Å; S373-L377 WeakPolarHBondContact O-CB 3.37Å; S373-L377 PolarHBondContact O-N 2.76Å
374	I	89.4	Confident	93.3	Very high	17 Å²	17	29.8 Å²	29.8	9%	0.087	18%	0.175	C	C	.	.	H	α-helix	trans	-56.5	-47.5	-176.7	-64.2	154.5	0	0	0	111.5	E216 L217 L220 L299 K378	E216-I374 HydrophobicContact CB-CD1 3.44Å; E216-I374 VanDerWaalsContact CB-CD1 3.44Å; E216-I374 HydrophobicContact CB-CG1 4.09Å; E216-I374 HydrophobicContact CG-CD1 4.22Å; L217-I374 HydrophobicContact CD2-CG1 3.6Å; L217-I374 HydrophobicContact CG-CG1 3.96Å; L220-I374 HydrophobicContact CD1-CB 4.49Å; L220-I374 HydrophobicContact CD1-CG2 3.98Å; L299-I374 HydrophobicContact CB-CD1 4.27Å; L299-I374 HydrophobicContact CD1-CD1 4.43Å; L299-I374 HydrophobicContact CD2-CD1 3.61Å; L299-I374 HydrophobicContact CG-CD1 4.29Å; I374-K378 WeakPolarHBondContact O-CG 3.1Å; I374-K378 PolarHBondContact O-N 2.93Å
375	S	88.1	Confident	93.1	Very high	56 Å²	56	27.3 Å²	27.3	39%	0.392	17%	0.168	S	C	.	.	H	α-helix	trans	-71.7	-38.8	-174.8	-56.7	0	0	0	0	111.8	S373 H379	S373-S375 VanDerWaalsContact C-N 3.33Å; S373-S375 PolarHBondContact O-N 3.5Å; S375-H379 WeakPolarHBondContact O-CB 3.29Å; S375-H379 PolarHBondContact O-N 2.82Å; S375-H379 VanDerWaalsContact O-N 3.1Å
376	E	90.9	Very high	93	Very high	0 Å²	0	35 Å²	35	0%	0	20%	0.197	C	C	.	.	H	α-helix	trans	-76.9	-35.7	-178.8	-161.1	165.2	-166.6	0	0	112.3	R11 F354 L370 S373 K378 H379 A380 F405 Q406 Y409	R11-E376 IonicContact CZ-OE2 3.47Å; R11-E376 IonicContact NE-OE2 2.65Å; R11-E376 IonicContact NH1-OE2 3.07Å; R11-E376 IonicContact NH2-OE1 2.74Å; R11-E376 PolarHBondContact NH2-OE1 3.13Å; R11-E376 IonicContact NH2-OE2 3.43Å; R11-E376 PolarHBondContact NH2-OE2 3.4Å; F354-E376 WeakPolarHBondContact CE1-OE1 3.43Å; F354-E376 WeakPolarHBondContact CE1-OE2 3.29Å; L370-E376 HydrophobicContact CD2-CB 4.33Å; L370-E376 HydrophobicContact CD2-CG 3.75Å; S373-E376 PolarHBondContact O-N 3.22Å; S373-E376 VanDerWaalsContact OG-CB 3.3Å; S373-E376 WeakPolarHBondContact OG-CB 3.41Å; S373-E376 PolarHBondContact OG-N 3.15Å; E376-K378 VanDerWaalsContact C-N 3.33Å; E376-K378 PolarHBondContact O-N 2.71Å; E376-H379 PolarHBondContact O-N 2.77Å; E376-H379 VanDerWaalsContact O-N 3.17Å; E376-A380 WeakPolarHBondContact O-CB 3.36Å; E376-A380 PolarHBondContact O-N 2.82Å; E376-F405 HydrophobicContact CB-CD1 3.75Å; E376-F405 HydrophobicContact CB-CE1 3.65Å; E376-F405 HydrophobicContact CG-CD1 3.54Å; E376-F405 HydrophobicContact CG-CE1 4Å; E376-F405 HydrophobicContact CG-CG 4.31Å; E376-Q406 PolarHBondContact OE1-N 2.89Å; E376-Y409 WeakPolarHBondContact CG-OH 3.24Å; E376-Y409 PolarHBondContact OE1-OH 2.83Å
377	L	93.1	Very high	93	Very high	0 Å²	0	37.4 Å²	37.4	0%	0	21%	0.209	C	C	.	.	H	α-helix	trans	-57.7	-46.4	173.8	-172.3	56.1	0	0	0	111.8	L220 H224 A365 L370 S373 L381	L220-L377 HydrophobicContact CB-CD2 3.97Å; L220-L377 HydrophobicContact CD1-CD2 4.11Å; H224-L377 HydrophobicContact CB-CD1 3.88Å; H224-L377 HydrophobicContact CB-CD2 3.85Å; H224-L377 HydrophobicContact CB-CG 3.81Å; A365-L377 HydrophobicContact CB-CD1 3.43Å; A365-L377 VanDerWaalsContact CB-CD1 3.43Å; L370-L377 HydrophobicContact CB-CD1 4.12Å; L370-L377 WeakPolarHBondContact O-CB 3.34Å; S373-L377 VanDerWaalsContact O-CB 3.22Å; S373-L377 WeakPolarHBondContact O-CB 3.37Å; S373-L377 PolarHBondContact O-N 2.76Å; L377-L381 HydrophobicContact CD1-CD1 4.36Å; L377-L381 PolarHBondContact O-N 2.78Å
378	K	92.3	Very high	93	Very high	112 Å²	112	40 Å²	40	49%	0.487	22%	0.222	S	C	.	.	H	α-helix	trans	-63.4	-43.5	175.2	-72.6	179.2	179.7	-179.7	0	111.4	L220 I374 E376 S382	L220-K378 HydrophobicContact CD1-CG 4.16Å; L220-K378 HydrophobicContact CD2-CG 4.44Å; I374-K378 WeakPolarHBondContact O-CG 3.1Å; I374-K378 PolarHBondContact O-N 2.93Å; E376-K378 VanDerWaalsContact C-N 3.33Å; E376-K378 PolarHBondContact O-N 2.71Å; K378-S382 WeakPolarHBondContact O-CB 2.91Å; K378-S382 PolarHBondContact O-N 2.95Å
379	H	92.4	Very high	93	Very high	47 Å²	47	44.6 Å²	44.6	22%	0.218	25%	0.252	C	S	.	.	H	α-helix	trans	-63	-51.4	-179.8	177.9	68.3	0	0	0	112	S375 E376 L381 S382 F405	S375-H379 WeakPolarHBondContact O-CB 3.29Å; S375-H379 PolarHBondContact O-N 2.82Å; S375-H379 VanDerWaalsContact O-N 3.1Å; E376-H379 PolarHBondContact O-N 2.77Å; E376-H379 VanDerWaalsContact O-N 3.17Å; H379-L381 PolarHBondContact O-N 3.01Å; H379-L381 VanDerWaalsContact O-N 3.17Å; H379-S382 WeakPolarHBondContact O-CB 3.46Å; H379-S382 PolarHBondContact O-N 3.21Å; H379-S382 VanDerWaalsContact O-N 3.08Å; H379-S382 PolarHBondContact O-OG 2.94Å; H379-F405 HydrophobicContact CB-CD2 4.33Å; H379-F405 HydrophobicContact CB-CE2 4.29Å; H379-F405 AromaticContact CG-CD2 4Å
380	A	93.4	Very high	93.1	Very high	0 Å²	0	44.4 Å²	44.4	0%	0	25%	0.25	C	C	.	.	H	α-helix	trans	-59	-30.3	-177.1	0	0	0	0	0	112.9	L370 E376 Y409	L370-A380 HydrophobicContact CD1-CB 4.3Å; L370-A380 HydrophobicContact CD2-CB 3.78Å; E376-A380 WeakPolarHBondContact O-CB 3.36Å; E376-A380 PolarHBondContact O-N 2.82Å; A380-Y409 HydrophobicContact CB-CD1 4.29Å; A380-Y409 HydrophobicContact CB-CD2 4.32Å; A380-Y409 HydrophobicContact CB-CE1 4.03Å; A380-Y409 HydrophobicContact CB-CE2 4.04Å; A380-Y409 HydrophobicContact CB-CG 4.43Å
381	L	93.6	Very high	93.1	Very high	41 Å²	41	47.6 Å²	47.6	22%	0.215	27%	0.267	C	S	.	.	T	Hydrogen-bonded Turn	trans	-104.5	6.8	179.9	-62.4	179.5	0	0	0	114.2	H224 L356 L363 A365 L377 H379 G383	H224-L381 HydrophobicContact CB-CD1 3.68Å; H224-L381 WeakPolarHBondContact O-CD1 3.13Å; L356-L381 HydrophobicContact CD2-CD2 4.09Å; L363-L381 HydrophobicContact CB-CD2 3.61Å; A365-L381 HydrophobicContact CB-CD1 4.49Å; L377-L381 HydrophobicContact CD1-CD1 4.36Å; L377-L381 PolarHBondContact O-N 2.78Å; H379-L381 PolarHBondContact O-N 3.01Å; H379-L381 VanDerWaalsContact O-N 3.17Å; L381-G383 VanDerWaalsContact C-N 3.27Å; L381-G383 PolarHBondContact O-N 2.99Å
382	S	91.4	Very high	93.1	Very high	56 Å²	56	47.7 Å²	47.7	39%	0.392	27%	0.268	S	S	.	.	S	Bend	trans	-73.5	-13.5	-179.3	66	0	0	0	0	114.8	K378 H379 N384	K378-S382 WeakPolarHBondContact O-CB 2.91Å; K378-S382 PolarHBondContact O-N 2.95Å; H379-S382 WeakPolarHBondContact O-CB 3.46Å; H379-S382 PolarHBondContact O-N 3.21Å; H379-S382 VanDerWaalsContact O-N 3.08Å; H379-S382 PolarHBondContact O-OG 2.94Å; S382-N384 VanDerWaalsContact C-N 3.26Å; S382-N384 PolarHBondContact O-N 3.04Å; S382-N384 PolarHBondContact OG-N 3.2Å
383	G	88.9	Confident	93	Very high	66 Å²	66	53.5 Å²	53.5	68%	0.68	29%	0.292	S	S	*	.	S	Bend	trans	83.7	-9.5	-170	0	0	0	0	0	114.6	L381	L381-G383 VanDerWaalsContact C-N 3.27Å; L381-G383 PolarHBondContact O-N 2.99Å
384	N	89.4	Confident	93.3	Very high	134 Å²	134	56.3 Å²	56.3	72%	0.717	31%	0.308	S	S	*	.			trans	-88.2	-16	175.7	-62.2	-42	0	0	0	113.3	S382	S382-N384 VanDerWaalsContact C-N 3.26Å; S382-N384 PolarHBondContact O-N 3.04Å; S382-N384 PolarHBondContact OG-N 3.2Å
385	A	93	Very high	93.6	Very high	12 Å²	12	55.5 Å²	55.5	10%	0.099	30%	0.304	C	S	.	.	S	Bend	trans	-76	143.3	179.1	0	0	0	0	0	111	I387 Y409	A385-I387 PolarHBondContact O-N 3.41Å; A385-Y409 HydrophobicContact CB-CD2 3.85Å; A385-Y409 HydrophobicContact CB-CE2 3.85Å
386	R	95.6	Very high	93.9	Very high	160 Å²	160	53.4 Å²	53.4	60%	0.604	29%	0.289	S	S	*	.			trans	-77	124.8	173.9	-175.6	-177.9	172.6	-179.2	-3.8	109.3	D407 V408 Y409	R386-D407 WeakPolarHBondContact CB-O 3.36Å; R386-V408 HydrophobicContact CG-CB 4.46Å; R386-V408 HydrophobicContact CG-CG2 4.11Å; R386-V408 WeakPolarHBondContact O-CA 3.18Å; R386-Y409 PolarHBondContact O-N 3.41Å
387	I	96.4	Very high	94.1	Very high	53 Å²	53	61.6 Å²	61.6	27%	0.272	33%	0.325	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.1	132.4	-178.3	-58	175.5	0	0	0	109.4	L356 L363 A385 Y409 V411	L356-I387 HydrophobicContact CD1-CD1 3.89Å; L356-I387 HydrophobicContact CD1-CG1 4.15Å; L356-I387 HydrophobicContact CD1-CG2 4.46Å; L363-I387 HydrophobicContact CD1-CD1 3.3Å; L363-I387 HydrophobicContact CD2-CD1 4.49Å; L363-I387 HydrophobicContact CG-CD1 4.5Å; A385-I387 PolarHBondContact O-N 3.41Å; I387-Y409 WeakPolarHBondContact CA-O 3.39Å; I387-V411 HydrophobicContact CG2-CB 3.89Å; I387-V411 HydrophobicContact CG2-CG1 3.73Å
388	M	96.8	Very high	94.2	Very high	55 Å²	55	64.5 Å²	64.5	27%	0.271	34%	0.338	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.3	149.7	178	-69.6	-174.3	59.4	0	0	111.1	F390 V408 Y409 F410 V411	M388-F390 PolarHBondContact O-N 3.27Å; M388-V408 HydrophobicContact CB-CG2 4.18Å; M388-V408 HydrophobicContact CG-CG2 3.81Å; M388-V408 HydrophobicContact SD-CG2 3.95Å; M388-Y409 PolarHBondContact N-O 2.82Å; M388-F410 HydrophobicContact CB-CD1 4.04Å; M388-F410 HydrophobicContact CB-CE1 3.99Å; M388-F410 CarbonylContact O-C 3.59Å; M388-F410 VanDerWaalsContact O-CA 3.24Å; M388-F410 WeakPolarHBondContact O-CA 3.35Å; M388-V411 PolarHBondContact O-N 3.16Å
389	P	96.9	Very high	94.2	Very high	98 Å²	98	66.2 Å²	66.2	64%	0.636	35%	0.348	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-60.4	137.3	171.3	-21.4	33.1	0	0	0	110.8	D391	P389-D391 PolarHBondContact O-N 3.12Å
390	F	96.1	Very high	94.1	Very high	1 Å²	1	65.9 Å²	65.9	0%	0.004	35%	0.351	C	S	.	.			trans	-66.4	118.7	175.4	178	-120	0	0	0	110.4	T351 M388 P392 T395 F410 V411 S412 A418 K421 M422	T351-F390 HydrophobicContact CG2-CD1 4.3Å; T351-F390 HydrophobicContact CG2-CD2 3.75Å; T351-F390 HydrophobicContact CG2-CE1 3.92Å; T351-F390 HydrophobicContact CG2-CE2 3.32Å; T351-F390 HydrophobicContact CG2-CG 4.22Å; T351-F390 HydrophobicContact CG2-CZ 3.4Å; T351-F390 VanDerWaalsContact CG2-CZ 3.4Å; M388-F390 PolarHBondContact O-N 3.27Å; F390-P392 HydrophobicContact CE1-CG 3.91Å; F390-P392 HydrophobicContact CE2-CG 4.36Å; F390-P392 HydrophobicContact CZ-CG 3.69Å; F390-T395 HydrophobicContact CD2-CG2 4.18Å; F390-T395 HydrophobicContact CE2-CG2 4.01Å; F390-F410 HydrophobicContact CB-CB 4.18Å; F390-F410 HydrophobicContact CD2-CB 4.23Å; F390-V411 WeakPolarHBondContact CB-O 3.48Å; F390-V411 PolarHBondContact N-O 3.46Å; F390-S412 VanDerWaalsContact CB-OG 3.32Å; F390-S412 WeakPolarHBondContact CB-OG 3.2Å; F390-S412 WeakPolarHBondContact CD1-OG 3.2Å; F390-A418 HydrophobicContact CD1-CB 4.19Å; F390-A418 HydrophobicContact CE1-CB 4.15Å; F390-K421 HydrophobicContact CD1-CD 4.24Å; F390-K421 HydrophobicContact CE1-CB 4.37Å; F390-K421 WeakPolarHBondContact O-CD 3.17Å; F390-K421 WeakPolarHBondContact O-CE 3.41Å; F390-K421 PolarHBondContact O-NZ 3.34Å; F390-M422 HydrophobicContact CE1-CG 4.23Å; F390-M422 HydrophobicContact CE1-SD 4.44Å; F390-M422 HydrophobicContact CZ-CG 4.09Å; F390-M422 HydrophobicContact CZ-SD 3.8Å
391	D	96.1	Very high	93.7	Very high	67 Å²	67	67.2 Å²	67.2	36%	0.358	36%	0.357	S	S	.	.			trans	-137.7	110.4	169.7	174.7	-6	0	0	0	107.3	P389 K393 V394 T395	P389-D391 PolarHBondContact O-N 3.12Å; D391-K393 PolarHBondContact O-N 3.39Å; D391-K393 WeakPolarHBondContact OD1-CB 3.38Å; D391-K393 PolarHBondContact OD1-N 2.73Å; D391-V394 HydrophobicContact CB-CB 4.3Å; D391-V394 HydrophobicContact CB-CG2 4.23Å; D391-V394 PolarHBondContact O-N 3.44Å; D391-T395 WeakPolarHBondContact O-CB 3.42Å; D391-T395 PolarHBondContact O-N 3.32Å; D391-T395 PolarHBondContact O-OG1 3.19Å; D391-T395 VanDerWaalsContact O-OG1 3.06Å
392	P	94.9	Very high	93	Very high	3 Å²	3	69.6 Å²	69.6	2%	0.019	37%	0.369	C	S	.	.	H	α-helix	trans	-50.8	-32.1	-178.1	-28.7	34.4	0	0	0	114.6	F390 V394 S396 K421 M422 F425	F390-P392 HydrophobicContact CE1-CG 3.91Å; F390-P392 HydrophobicContact CE2-CG 4.36Å; F390-P392 HydrophobicContact CZ-CG 3.69Å; P392-V394 VanDerWaalsContact C-N 3.32Å; P392-V394 PolarHBondContact O-N 3.11Å; P392-S396 WeakPolarHBondContact O-CB 3.49Å; P392-S396 PolarHBondContact O-N 2.78Å; P392-S396 PolarHBondContact O-OG 3.27Å; P392-K421 HydrophobicContact CG-CB 3.98Å; P392-M422 HydrophobicContact CB-SD 3.87Å; P392-M422 HydrophobicContact CG-CG 4.47Å; P392-M422 HydrophobicContact CG-SD 3.62Å; P392-F425 HydrophobicContact CB-CB 3.58Å; P392-F425 HydrophobicContact CB-CD1 4.04Å; P392-F425 HydrophobicContact CB-CD2 3.63Å; P392-F425 HydrophobicContact CB-CE2 4.31Å; P392-F425 HydrophobicContact CB-CG 3.46Å; P392-F425 VanDerWaalsContact CB-CG 3.46Å; P392-F425 HydrophobicContact CG-CB 4.05Å; P392-F425 HydrophobicContact CG-CG 4.44Å
393	K	94.1	Very high	92.4	Very high	132 Å²	132	71.1 Å²	71.1	57%	0.574	38%	0.377	S	S	*	.	H	α-helix	trans	-70.7	-29.1	179.6	-66.1	-179.3	-178.5	175.7	0	113.1	D391 K397 F425	D391-K393 PolarHBondContact O-N 3.39Å; D391-K393 WeakPolarHBondContact OD1-CB 3.38Å; D391-K393 PolarHBondContact OD1-N 2.73Å; K393-K397 WeakPolarHBondContact O-CE 3.37Å; K393-F425 HydrophobicContact CG-CD2 4.23Å
394	V	95.6	Very high	92.1	Very high	72 Å²	72	70.4 Å²	70.4	44%	0.436	36%	0.359	S	S	.	.	H	α-helix	trans	-89.7	-50.6	176.3	179.1	0	0	0	0	109.5	D391 P392 S396 K397	D391-V394 HydrophobicContact CB-CB 4.3Å; D391-V394 HydrophobicContact CB-CG2 4.23Å; D391-V394 PolarHBondContact O-N 3.44Å; P392-V394 VanDerWaalsContact C-N 3.32Å; P392-V394 PolarHBondContact O-N 3.11Å; V394-S396 VanDerWaalsContact C-N 3.33Å; V394-S396 PolarHBondContact O-N 3.1Å; V394-K397 PolarHBondContact O-N 3.27Å; V394-K397 VanDerWaalsContact O-N 3.15Å
395	T	96	Very high	92	Very high	0 Å²	0	65.4 Å²	65.4	0%	0	33%	0.331	C	S	.	.	H	α-helix	trans	-58.7	-40.1	-177.3	-57.4	0	0	0	0	112.2	T346 F350 F390 D391 K397 Q398 F410	T346-T395 WeakPolarHBondContact CG2-O 3.44Å; F350-T395 HydrophobicContact CB-CG2 3.39Å; F350-T395 HydrophobicContact CD2-CG2 3.91Å; F350-T395 HydrophobicContact CG-CG2 3.92Å; F390-T395 HydrophobicContact CD2-CG2 4.18Å; F390-T395 HydrophobicContact CE2-CG2 4.01Å; D391-T395 WeakPolarHBondContact O-CB 3.42Å; D391-T395 PolarHBondContact O-N 3.32Å; D391-T395 PolarHBondContact O-OG1 3.19Å; D391-T395 VanDerWaalsContact O-OG1 3.06Å; T395-K397 PolarHBondContact O-N 2.8Å; T395-Q398 VanDerWaalsContact O-CB 3.28Å; T395-Q398 WeakPolarHBondContact O-CB 3.44Å; T395-Q398 PolarHBondContact O-N 2.99Å; T395-F410 HydrophobicContact CG2-CD1 4.38Å; T395-F410 HydrophobicContact CG2-CD2 3.9Å; T395-F410 HydrophobicContact CG2-CE1 4.34Å; T395-F410 HydrophobicContact CG2-CE2 3.84Å; T395-F410 HydrophobicContact CG2-CG 4.15Å; T395-F410 HydrophobicContact CG2-CZ 4.06Å; T395-F410 WeakPolarHBondContact OG1-CD1 3.32Å; T395-F410 WeakPolarHBondContact OG1-CE1 3.3Å
396	S	95.5	Very high	91.9	Very high	12 Å²	12	65.1 Å²	65.1	8%	0.084	33%	0.327	C	S	.	.	T	Hydrogen-bonded Turn	trans	-61.9	-12.1	179.5	56.3	0	0	0	0	115.3	P392 V394	P392-S396 WeakPolarHBondContact O-CB 3.49Å; P392-S396 PolarHBondContact O-N 2.78Å; P392-S396 PolarHBondContact O-OG 3.27Å; V394-S396 VanDerWaalsContact C-N 3.33Å; V394-S396 PolarHBondContact O-N 3.1Å
397	K	94.4	Very high	91.7	Very high	173 Å²	173	62.9 Å²	62.9	75%	0.752	33%	0.327	S	S	*	.	T	Hydrogen-bonded Turn	trans	-99.8	-5	177.2	-57.6	175.9	-174.8	174.2	0	112.9	K393 V394 T395	K393-K397 WeakPolarHBondContact O-CE 3.37Å; V394-K397 PolarHBondContact O-N 3.27Å; V394-K397 VanDerWaalsContact O-N 3.15Å; T395-K397 PolarHBondContact O-N 2.8Å
398	Q	95.5	Very high	91.6	Very high	60 Å²	60	60.5 Å²	60.5	28%	0.28	32%	0.315	S	S	.	.	S	Bend	trans	-75.4	137.5	-179.2	-177.3	59.2	42.5	0	0	110.2	T346 F350 T395 V408 F410	T346-Q398 VanDerWaalsContact CG2-O 3.24Å; T346-Q398 WeakPolarHBondContact CG2-O 3.12Å; F350-Q398 HydrophobicContact CD2-CB 4.15Å; F350-Q398 HydrophobicContact CD2-CG 4.23Å; F350-Q398 HydrophobicContact CE1-CG 4.08Å; F350-Q398 HydrophobicContact CE2-CB 3.6Å; F350-Q398 HydrophobicContact CE2-CG 3.39Å; F350-Q398 HydrophobicContact CZ-CB 4.08Å; F350-Q398 HydrophobicContact CZ-CG 3.31Å; T395-Q398 VanDerWaalsContact O-CB 3.28Å; T395-Q398 WeakPolarHBondContact O-CB 3.44Å; T395-Q398 PolarHBondContact O-N 2.99Å; Q398-V408 VanDerWaalsContact CD-CG1 3.45Å; Q398-V408 HydrophobicContact CG-CG1 3.78Å; Q398-F410 HydrophobicContact CB-CE2 4.28Å; Q398-F410 HydrophobicContact CB-CZ 4.31Å; Q398-F410 HydrophobicContact CG-CE2 4.14Å; Q398-F410 HydrophobicContact CG-CZ 4.43Å
399	E	91.9	Very high	91.6	Very high	148 Å²	148	57.9 Å²	57.9	69%	0.692	30%	0.302	S	S	*	.	P	Polyproline II helix	trans	-70.9	129.8	173.8	-175.8	175.5	-170.4	0	0	110.4	F350	F350-E399 WeakPolarHBondContact CZ-O 3.13Å
400	C	89.4	Confident	91.7	Very high	41 Å²	41	53.4 Å²	53.4	28%	0.277	27%	0.273	S	S	.	.	P	Polyproline II helix	trans	-87.8	117.4	176.3	-58.5	0	0	0	0	109.9	F349	F349-C400 HydrophobicContact CD1-CB 3.77Å; F349-C400 VanDerWaalsContact CD1-SG 3.57Å; F349-C400 HydrophobicContact CD2-CB 4.3Å; F349-C400 HydrophobicContact CE1-CB 3.73Å; F349-C400 HydrophobicContact CE2-CB 4.26Å; F349-C400 HydrophobicContact CG-CB 4.05Å; F349-C400 HydrophobicContact CZ-CB 3.97Å
401	I	85.6	Confident	91.7	Very high	27 Å²	27	54.6 Å²	54.6	14%	0.138	28%	0.28	C	S	.	.			trans	-97.2	114.9	-179.6	-56.9	173.2	0	0	0	108.9	T404 Q406 D407	I401-T404 WeakPolarHBondContact CG2-OG1 3.42Å; I401-Q406 PolarHBondContact O-NE2 3.25Å; I401-Q406 PolarHBondContact O-OE1 3.37Å; I401-D407 HydrophobicContact CD1-CB 4.32Å; I401-D407 WeakPolarHBondContact CD1-OD2 2.87Å
402	I	80.3	Confident	91.6	Very high	92 Å²	92	51.6 Å²	51.6	47%	0.472	26%	0.264	S	S	.	.	S	Bend	trans	-94.5	-18.6	-175.8	60.6	172.2	0	0	0	114	F349	F349-I402 HydrophobicContact CE2-CG2 4.33Å
403	T	77.1	Confident	91.3	Very high	88 Å²	88	56.5 Å²	56.5	54%	0.54	29%	0.291	S	S	.	.	S	Bend	trans	-102.3	-20.9	-172.8	54.5	0	0	0	0	114.6
404	T	82.9	Confident	91	Very high	50 Å²	50	52.7 Å²	52.7	31%	0.307	28%	0.281	S	S	.	.	S	Bend	trans	-130.2	179.3	-179.3	65.1	0	0	0	0	111.5	R11 I401	R11-T404 VanDerWaalsContact NE-C 3.34Å; R11-T404 PolarHBondContact NE-O 3.14Å; R11-T404 PolarHBondContact NH2-O 3.49Å; I401-T404 WeakPolarHBondContact CG2-OG1 3.42Å
405	F	88.5	Confident	90.5	Very high	29 Å²	29	49.9 Å²	49.9	13%	0.127	26%	0.262	C	S	.	.			trans	-61.2	152.4	171.4	-60.7	-32.7	0	0	0	111.1	R11 E376 H379	R11-F405 HydrophobicContact CG-CD1 3.73Å; R11-F405 HydrophobicContact CG-CE1 3.43Å; R11-F405 VanDerWaalsContact CG-CE1 3.43Å; R11-F405 HydrophobicContact CG-CZ 4.01Å; E376-F405 HydrophobicContact CB-CD1 3.75Å; E376-F405 HydrophobicContact CB-CE1 3.65Å; E376-F405 HydrophobicContact CG-CD1 3.54Å; E376-F405 HydrophobicContact CG-CE1 4Å; E376-F405 HydrophobicContact CG-CG 4.31Å; H379-F405 HydrophobicContact CB-CD2 4.33Å; H379-F405 HydrophobicContact CB-CE2 4.29Å; H379-F405 AromaticContact CG-CD2 4Å
406	Q	90.9	Very high	90.1	Very high	6 Å²	6	54 Å²	54	3%	0.028	28%	0.282	C	S	.	.			trans	-69.4	138.7	176.6	-51.4	-49.1	-48.4	0	0	111.1	F354 E376 I401 V408 Y409	F354-Q406 HydrophobicContact CB-CG 4.31Å; F354-Q406 HydrophobicContact CD1-CG 3.96Å; F354-Q406 HydrophobicContact CD2-CG 4.34Å; F354-Q406 HydrophobicContact CE1-CG 4.43Å; F354-Q406 HydrophobicContact CG-CG 3.93Å; E376-Q406 PolarHBondContact OE1-N 2.89Å; I401-Q406 PolarHBondContact O-NE2 3.25Å; I401-Q406 PolarHBondContact O-OE1 3.37Å; Q406-V408 PolarHBondContact O-N 3.25Å; Q406-Y409 HydrophobicContact CB-CD1 4.28Å; Q406-Y409 HydrophobicContact CB-CE1 3.73Å; Q406-Y409 HydrophobicContact CB-CE2 4.19Å; Q406-Y409 HydrophobicContact CG-CD1 4.4Å; Q406-Y409 HydrophobicContact CG-CE1 3.75Å; Q406-Y409 PolarHBondContact N-OH 3.03Å
407	D	90.3	Very high	89.8	Confident	113 Å²	113	55.8 Å²	55.8	60%	0.604	29%	0.289	S	S	*	.	S	Bend	trans	-70.3	-23.4	173.7	-72.8	-23.2	0	0	0	112.6	R386 I401	R386-D407 WeakPolarHBondContact CB-O 3.36Å; I401-D407 HydrophobicContact CD1-CB 4.32Å; I401-D407 WeakPolarHBondContact CD1-OD2 2.87Å
408	V	95.6	Very high	89.5	Confident	3 Å²	3	47.6 Å²	47.6	2%	0.018	25%	0.253	C	S	.	.			trans	-149.2	140.7	179.9	63.2	0	0	0	0	110.7	F350 R386 M388 Q398 Q406 F410	F350-V408 WeakPolarHBondContact CE1-O 3.43Å; R386-V408 HydrophobicContact CG-CB 4.46Å; R386-V408 HydrophobicContact CG-CG2 4.11Å; R386-V408 WeakPolarHBondContact O-CA 3.18Å; M388-V408 HydrophobicContact CB-CG2 4.18Å; M388-V408 HydrophobicContact CG-CG2 3.81Å; M388-V408 HydrophobicContact SD-CG2 3.95Å; Q398-V408 VanDerWaalsContact CD-CG1 3.45Å; Q398-V408 HydrophobicContact CG-CG1 3.78Å; Q406-V408 PolarHBondContact O-N 3.25Å; V408-F410 HydrophobicContact CG1-CE2 4Å; V408-F410 HydrophobicContact CG1-CZ 4.33Å; V408-F410 HydrophobicContact CG2-CE2 4.49Å
409	Y	96.8	Very high	89.1	Confident	1 Å²	1	45.3 Å²	45.3	0%	0.004	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.2	151.6	172	-59.5	-87.3	0	0	0	110	F354 L356 L370 E376 A380 A385 R386 I387 M388 Q406	F354-Y409 HydrophobicContact CB-CD1 4.26Å; F354-Y409 HydrophobicContact CB-CE1 4.41Å; F354-Y409 HydrophobicContact CD1-CE1 4.24Å; L356-Y409 HydrophobicContact CD1-CG 4.32Å; L370-Y409 HydrophobicContact CD1-CD1 4.46Å; L370-Y409 HydrophobicContact CD2-CD1 4.4Å; L370-Y409 HydrophobicContact CD2-CE1 3.76Å; E376-Y409 WeakPolarHBondContact CG-OH 3.24Å; E376-Y409 PolarHBondContact OE1-OH 2.83Å; A380-Y409 HydrophobicContact CB-CD1 4.29Å; A380-Y409 HydrophobicContact CB-CD2 4.32Å; A380-Y409 HydrophobicContact CB-CE1 4.03Å; A380-Y409 HydrophobicContact CB-CE2 4.04Å; A380-Y409 HydrophobicContact CB-CG 4.43Å; A385-Y409 HydrophobicContact CB-CD2 3.85Å; A385-Y409 HydrophobicContact CB-CE2 3.85Å; R386-Y409 PolarHBondContact O-N 3.41Å; I387-Y409 WeakPolarHBondContact CA-O 3.39Å; M388-Y409 PolarHBondContact N-O 2.82Å; Q406-Y409 HydrophobicContact CB-CD1 4.28Å; Q406-Y409 HydrophobicContact CB-CE1 3.73Å; Q406-Y409 HydrophobicContact CB-CE2 4.19Å; Q406-Y409 HydrophobicContact CG-CD1 4.4Å; Q406-Y409 HydrophobicContact CG-CE1 3.75Å; Q406-Y409 PolarHBondContact N-OH 3.03Å
410	F	97.3	Very high	89	Confident	3 Å²	3	41.4 Å²	41.4	1%	0.013	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.6	134.5	179	-67.7	-91.9	0	0	0	111.4	F350 L356 M388 F390 T395 Q398 V408	F350-F410 HydrophobicContact CB-CD2 3.6Å; F350-F410 HydrophobicContact CB-CE2 4.13Å; F350-F410 HydrophobicContact CB-CG 4.4Å; F350-F410 AromaticContact CD1-CD2 3.53Å; F350-F410 HydrophobicContact CD1-CD2 3.53Å; F350-F410 AromaticContact CD1-CE2 3.7Å; F350-F410 HydrophobicContact CD1-CE2 3.7Å; F350-F410 HydrophobicContact CD2-CD2 4.48Å; F350-F410 HydrophobicContact CD2-CE2 4.19Å; F350-F410 HydrophobicContact CE1-CD2 4.37Å; F350-F410 HydrophobicContact CE1-CE2 4.18Å; F350-F410 AromaticContact CG-CD2 3.6Å; F350-F410 HydrophobicContact CG-CD2 3.6Å; F350-F410 AromaticContact CG-CE2 3.72Å; F350-F410 HydrophobicContact CG-CE2 3.72Å; L356-F410 PolarHBondContact N-O 3.42Å; M388-F410 HydrophobicContact CB-CD1 4.04Å; M388-F410 HydrophobicContact CB-CE1 3.99Å; M388-F410 CarbonylContact O-C 3.59Å; M388-F410 VanDerWaalsContact O-CA 3.24Å; M388-F410 WeakPolarHBondContact O-CA 3.35Å; F390-F410 HydrophobicContact CB-CB 4.18Å; F390-F410 HydrophobicContact CD2-CB 4.23Å; T395-F410 HydrophobicContact CG2-CD1 4.38Å; T395-F410 HydrophobicContact CG2-CD2 3.9Å; T395-F410 HydrophobicContact CG2-CE1 4.34Å; T395-F410 HydrophobicContact CG2-CE2 3.84Å; T395-F410 HydrophobicContact CG2-CG 4.15Å; T395-F410 HydrophobicContact CG2-CZ 4.06Å; T395-F410 WeakPolarHBondContact OG1-CD1 3.32Å; T395-F410 WeakPolarHBondContact OG1-CE1 3.3Å; Q398-F410 HydrophobicContact CB-CE2 4.28Å; Q398-F410 HydrophobicContact CB-CZ 4.31Å; Q398-F410 HydrophobicContact CG-CE2 4.14Å; Q398-F410 HydrophobicContact CG-CZ 4.43Å; V408-F410 HydrophobicContact CG1-CE2 4Å; V408-F410 HydrophobicContact CG1-CZ 4.33Å; V408-F410 HydrophobicContact CG2-CE2 4.49Å
411	V	96.8	Very high	89.2	Confident	26 Å²	26	42.3 Å²	42.3	16%	0.158	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.6	136.4	-179.6	66.6	0	0	0	0	111.6	L356 K358 L363 I387 M388 F390	L356-V411 HydrophobicContact CB-CB 4.25Å; L356-V411 HydrophobicContact CB-CG2 4.3Å; L356-V411 VanDerWaalsContact O-CA 3.25Å; L356-V411 WeakPolarHBondContact O-CA 3.47Å; K358-V411 HydrophobicContact CB-CG2 4.37Å; L363-V411 HydrophobicContact CD2-CB 4.36Å; L363-V411 HydrophobicContact CD2-CG2 3.71Å; I387-V411 HydrophobicContact CG2-CB 3.89Å; I387-V411 HydrophobicContact CG2-CG1 3.73Å; M388-V411 PolarHBondContact O-N 3.16Å; F390-V411 WeakPolarHBondContact CB-O 3.48Å; F390-V411 PolarHBondContact N-O 3.46Å
412	S	93.4	Very high	89.3	Confident	4 Å²	4	41.1 Å²	41.1	3%	0.028	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.9	150	167.3	-55.8	0	0	0	0	110.6	L356 C357 K358 F390 S414	L356-S412 PolarHBondContact O-N 3.12Å; C357-S412 WeakPolarHBondContact CA-O 3.24Å; K358-S412 PolarHBondContact N-O 3.2Å; K358-S412 VanDerWaalsContact N-O 3.15Å; F390-S412 VanDerWaalsContact CB-OG 3.32Å; F390-S412 WeakPolarHBondContact CB-OG 3.2Å; F390-S412 WeakPolarHBondContact CD1-OG 3.2Å; S412-S414 VanDerWaalsContact C-N 3.33Å
413	D	89.7	Confident	89.7	Confident	107 Å²	107	41.2 Å²	41.2	57%	0.572	22%	0.216	S	C	*	.	S	Bend	trans	-73.4	-30.1	175.6	-68.7	-35.6	0	0	0	111.3	E417	D413-E417 WeakPolarHBondContact CA-OE2 3.3Å; D413-E417 VanDerWaalsContact CB-OE2 3.3Å; D413-E417 WeakPolarHBondContact CB-OE2 3.38Å; D413-E417 PolarHBondContact N-OE2 3.47Å
414	S	87.1	Confident	90.4	Very high	52 Å²	52	41.4 Å²	41.4	36%	0.364	21%	0.211	S	C	.	.			trans	-156.1	164.2	174.1	66.9	0	0	0	0	112.8	S412 E416 E417 A418	S412-S414 VanDerWaalsContact C-N 3.33Å; S414-E416 PolarHBondContact O-N 3.25Å; S414-E417 PolarHBondContact O-N 2.85Å; S414-E417 PolarHBondContact OG-N 3.4Å; S414-E417 VanDerWaalsContact OG-N 3.11Å; S414-A418 PolarHBondContact O-N 3.27Å; S414-A418 VanDerWaalsContact O-N 3.14Å
415	F	84.9	Confident	90.8	Very high	12 Å²	12	39.8 Å²	39.8	5%	0.053	20%	0.199	C	C	.	.	H	α-helix	trans	-62.8	-31.5	170.6	-59.4	-46.8	0	0	0	112.6	E228 L316 F322 Y366 A418 K419	E228-F415 HydrophobicContact CB-CE2 3.98Å; E228-F415 HydrophobicContact CG-CD2 4.35Å; E228-F415 HydrophobicContact CG-CE2 3.74Å; L316-F415 HydrophobicContact CD2-CE2 4.36Å; L316-F415 HydrophobicContact CD2-CZ 4.01Å; F322-F415 HydrophobicContact CD2-CD1 4.03Å; F322-F415 AromaticContact CD2-CE1 3.9Å; F322-F415 HydrophobicContact CD2-CE1 3.9Å; F322-F415 HydrophobicContact CD2-CZ 4.27Å; F322-F415 HydrophobicContact CE2-CE1 4.42Å; Y366-F415 AromaticContact CD1-CE1 3.83Å; Y366-F415 HydrophobicContact CD1-CE1 3.83Å; Y366-F415 HydrophobicContact CD1-CZ 4.49Å; Y366-F415 AromaticContact CD2-CE1 3.69Å; Y366-F415 HydrophobicContact CD2-CE1 3.69Å; Y366-F415 HydrophobicContact CD2-CZ 4.4Å; Y366-F415 HydrophobicContact CE1-CE1 4.16Å; Y366-F415 HydrophobicContact CE2-CE1 4.04Å; Y366-F415 AromaticContact CG-CE1 3.57Å; Y366-F415 HydrophobicContact CG-CE1 3.57Å; Y366-F415 HydrophobicContact CG-CZ 4.06Å; F415-A418 PolarHBondContact O-N 3.39Å; F415-K419 VanDerWaalsContact O-CB 3.31Å; F415-K419 WeakPolarHBondContact O-CB 3.34Å; F415-K419 PolarHBondContact O-N 3.28Å
416	E	87.6	Confident	90.7	Very high	87 Å²	87	39 Å²	39	41%	0.407	20%	0.199	S	C	.	.	H	α-helix	trans	-65.8	-42.7	176.7	-168.9	60.6	-154.5	0	0	111.2	S414 K419 V420	S414-E416 PolarHBondContact O-N 3.25Å; E416-K419 VanDerWaalsContact CD-CE 3.47Å; E416-K419 WeakPolarHBondContact O-CB 3.48Å; E416-K419 PolarHBondContact O-N 3.01Å; E416-K419 WeakPolarHBondContact OE1-CE 3.33Å; E416-K419 IonicContact OE1-NZ 2.63Å; E416-K419 PolarHBondContact OE1-NZ 2.97Å; E416-K419 VanDerWaalsContact OE2-CE 3.29Å; E416-K419 WeakPolarHBondContact OE2-CE 3.47Å; E416-K419 IonicContact OE2-NZ 2.66Å; E416-K419 PolarHBondContact OE2-NZ 3.48Å; E416-V420 WeakPolarHBondContact O-CG2 3.31Å; E416-V420 PolarHBondContact O-N 3.42Å
417	E	89.9	Confident	90.6	Very high	50 Å²	50	45.4 Å²	45.4	23%	0.234	23%	0.226	C	C	.	.	H	α-helix	trans	-61.3	-47.5	175.1	-170.8	-156.2	170.2	0	0	111.3	D413 S414 K419 V420 K421	D413-E417 WeakPolarHBondContact CA-OE2 3.3Å; D413-E417 VanDerWaalsContact CB-OE2 3.3Å; D413-E417 WeakPolarHBondContact CB-OE2 3.38Å; D413-E417 PolarHBondContact N-OE2 3.47Å; S414-E417 PolarHBondContact O-N 2.85Å; S414-E417 PolarHBondContact OG-N 3.4Å; S414-E417 VanDerWaalsContact OG-N 3.11Å; E417-K419 VanDerWaalsContact C-N 3.3Å; E417-K419 PolarHBondContact O-N 2.97Å; E417-V420 PolarHBondContact O-N 3.38Å; E417-K421 HydrophobicContact CG-CD 4.31Å; E417-K421 WeakPolarHBondContact O-CB 3.35Å; E417-K421 WeakPolarHBondContact O-CG 3.17Å; E417-K421 PolarHBondContact O-N 3.06Å; E417-K421 WeakPolarHBondContact OE1-CE 3.44Å; E417-K421 IonicContact OE1-NZ 3.85Å; E417-K421 PolarHBondContact OE1-NZ 3.22Å
418	A	88.4	Confident	90.6	Very high	0 Å²	0	43.8 Å²	43.8	0%	0	22%	0.22	C	C	.	.	H	α-helix	trans	-59.8	-40.9	177.1	0	0	0	0	0	111.7	F325 F390 S414 F415 K421 M422	F325-A418 HydrophobicContact CD2-CB 4.34Å; F325-A418 HydrophobicContact CE2-CB 3.91Å; F325-A418 HydrophobicContact CZ-CB 4.3Å; F390-A418 HydrophobicContact CD1-CB 4.19Å; F390-A418 HydrophobicContact CE1-CB 4.15Å; S414-A418 PolarHBondContact O-N 3.27Å; S414-A418 VanDerWaalsContact O-N 3.14Å; F415-A418 PolarHBondContact O-N 3.39Å; A418-K421 PolarHBondContact O-N 3.37Å; A418-M422 WeakPolarHBondContact O-CB 3.35Å; A418-M422 WeakPolarHBondContact O-CG 3.28Å; A418-M422 PolarHBondContact O-N 3.3Å
419	K	86.8	Confident	90.2	Very high	13 Å²	13	44.4 Å²	44.4	6%	0.057	22%	0.224	C	C	.	.	H	α-helix	trans	-62.7	-48.2	175.5	-172.2	-174.4	76.4	-168.3	0	112.5	Q324 F325 F415 E416 E417 K421 M422 R423	Q324-K419 HydrophobicContact CB-CD 4.24Å; F325-K419 HydrophobicContact CB-CB 4.33Å; F325-K419 HydrophobicContact CD2-CB 4.12Å; F415-K419 VanDerWaalsContact O-CB 3.31Å; F415-K419 WeakPolarHBondContact O-CB 3.34Å; F415-K419 PolarHBondContact O-N 3.28Å; E416-K419 VanDerWaalsContact CD-CE 3.47Å; E416-K419 WeakPolarHBondContact O-CB 3.48Å; E416-K419 PolarHBondContact O-N 3.01Å; E416-K419 WeakPolarHBondContact OE1-CE 3.33Å; E416-K419 IonicContact OE1-NZ 2.63Å; E416-K419 PolarHBondContact OE1-NZ 2.97Å; E416-K419 VanDerWaalsContact OE2-CE 3.29Å; E416-K419 WeakPolarHBondContact OE2-CE 3.47Å; E416-K419 IonicContact OE2-NZ 2.66Å; E416-K419 PolarHBondContact OE2-NZ 3.48Å; E417-K419 VanDerWaalsContact C-N 3.3Å; E417-K419 PolarHBondContact O-N 2.97Å; K419-K421 PolarHBondContact O-N 3.11Å; K419-M422 PolarHBondContact O-N 2.9Å; K419-R423 WeakPolarHBondContact O-CB 3.23Å; K419-R423 PolarHBondContact O-N 3.25Å
420	V	90.7	Very high	89.6	Confident	65 Å²	65	53.6 Å²	53.6	39%	0.394	26%	0.264	S	S	.	.	H	α-helix	trans	-60.9	-46.5	177.2	171.4	0	0	0	0	110.3	E416 E417 M422 R423 E424	E416-V420 WeakPolarHBondContact O-CG2 3.31Å; E416-V420 PolarHBondContact O-N 3.42Å; E417-V420 PolarHBondContact O-N 3.38Å; V420-M422 PolarHBondContact O-N 3Å; V420-R423 PolarHBondContact O-N 2.93Å; V420-E424 WeakPolarHBondContact O-CG 3.46Å; V420-E424 PolarHBondContact O-N 3.48Å
421	K	92.3	Very high	89.1	Confident	60 Å²	60	56.3 Å²	56.3	26%	0.261	27%	0.274	S	S	.	.	H	α-helix	trans	-59.3	-44.3	176.7	-76.7	177.2	169.5	174.5	0	112.4	F390 P392 E417 A418 K419 E424 F425	F390-K421 HydrophobicContact CD1-CD 4.24Å; F390-K421 HydrophobicContact CE1-CB 4.37Å; F390-K421 WeakPolarHBondContact O-CD 3.17Å; F390-K421 WeakPolarHBondContact O-CE 3.41Å; F390-K421 PolarHBondContact O-NZ 3.34Å; P392-K421 HydrophobicContact CG-CB 3.98Å; E417-K421 HydrophobicContact CG-CD 4.31Å; E417-K421 WeakPolarHBondContact O-CB 3.35Å; E417-K421 WeakPolarHBondContact O-CG 3.17Å; E417-K421 PolarHBondContact O-N 3.06Å; E417-K421 WeakPolarHBondContact OE1-CE 3.44Å; E417-K421 IonicContact OE1-NZ 3.85Å; E417-K421 PolarHBondContact OE1-NZ 3.22Å; A418-K421 PolarHBondContact O-N 3.37Å; K419-K421 PolarHBondContact O-N 3.11Å; K421-E424 PolarHBondContact O-N 3.14Å; K421-F425 WeakPolarHBondContact O-CB 3.43Å; K421-F425 PolarHBondContact O-N 2.81Å
422	M	89.2	Confident	88.5	Confident	3 Å²	3	58.5 Å²	58.5	2%	0.015	29%	0.289	C	S	.	.	H	α-helix	trans	-67	-36	176.9	-78.7	-52.8	-63.6	0	0	113	F325 I329 L344 C347 F390 P392 A418 K419 V420 F425 A426	F325-M422 HydrophobicContact CD2-CG 4.48Å; F325-M422 HydrophobicContact CE2-CB 4.16Å; F325-M422 HydrophobicContact CE2-CG 3.56Å; F325-M422 HydrophobicContact CZ-CG 4.27Å; I329-M422 HydrophobicContact CG1-CE 4.15Å; L344-M422 HydrophobicContact CD2-CE 3.65Å; C347-M422 HydrophobicContact CB-CE 3.83Å; C347-M422 HydrophobicContact CB-SD 3.79Å; F390-M422 HydrophobicContact CE1-CG 4.23Å; F390-M422 HydrophobicContact CE1-SD 4.44Å; F390-M422 HydrophobicContact CZ-CG 4.09Å; F390-M422 HydrophobicContact CZ-SD 3.8Å; P392-M422 HydrophobicContact CB-SD 3.87Å; P392-M422 HydrophobicContact CG-CG 4.47Å; P392-M422 HydrophobicContact CG-SD 3.62Å; A418-M422 WeakPolarHBondContact O-CB 3.35Å; A418-M422 WeakPolarHBondContact O-CG 3.28Å; A418-M422 PolarHBondContact O-N 3.3Å; K419-M422 PolarHBondContact O-N 2.9Å; V420-M422 PolarHBondContact O-N 3Å; M422-F425 HydrophobicContact CE-CD1 3.97Å; M422-F425 WeakPolarHBondContact O-CB 3.05Å; M422-F425 PolarHBondContact O-N 3.43Å; M422-F425 HydrophobicContact SD-CD1 4.41Å; M422-A426 WeakPolarHBondContact O-CB 3.4Å; M422-A426 PolarHBondContact O-N 2.84Å
423	R	87.7	Confident	88.3	Confident	93 Å²	93	58.8 Å²	58.8	35%	0.351	29%	0.289	S	S	.	.	H	α-helix	trans	-64	-44.1	174	-174.4	177.4	-65.2	148.7	1.6	111.8	E328 K419 V420 F425 A426 K427	E328-R423 HydrophobicContact CG-CB 4.5Å; E328-R423 IonicContact OE1-NE 2.96Å; E328-R423 IonicContact OE2-CZ 3.38Å; E328-R423 IonicContact OE2-NE 2.95Å; E328-R423 PolarHBondContact OE2-NE 3.46Å; E328-R423 IonicContact OE2-NH2 2.63Å; E328-R423 PolarHBondContact OE2-NH2 3.33Å; K419-R423 WeakPolarHBondContact O-CB 3.23Å; K419-R423 PolarHBondContact O-N 3.25Å; V420-R423 PolarHBondContact O-N 2.93Å; R423-F425 VanDerWaalsContact C-N 3.29Å; R423-F425 PolarHBondContact O-N 3.41Å; R423-A426 PolarHBondContact O-N 3.37Å; R423-K427 WeakPolarHBondContact O-CG 3.23Å; R423-K427 PolarHBondContact O-N 3.4Å
424	E	91.3	Very high	88.3	Confident	93 Å²	93	57.6 Å²	57.6	44%	0.435	29%	0.286	S	S	.	.	H	α-helix	trans	-64.3	-36.1	174.3	-66.3	-49.1	130.4	0	0	111.9	V420 K421 K427	V420-E424 WeakPolarHBondContact O-CG 3.46Å; V420-E424 PolarHBondContact O-N 3.48Å; K421-E424 PolarHBondContact O-N 3.14Å; E424-K427 PolarHBondContact O-N 2.98Å; E424-K427 IonicContact OE1-NZ 3.66Å; E424-K427 PolarHBondContact OE1-NZ 2.78Å; E424-K427 WeakPolarHBondContact OE2-CD 3.46Å; E424-K427 IonicContact OE2-NZ 3.26Å; E424-K427 PolarHBondContact OE2-NZ 3.04Å
425	F	91.1	Very high	88.5	Confident	15 Å²	15	55.7 Å²	55.7	7%	0.066	27%	0.272	C	S	.	.	H	α-helix	trans	-66.2	-42.3	173.1	-176	-108.2	0	0	0	112.2	K343 L344 P392 K393 K421 M422 R423 K427 T428	K343-F425 HydrophobicContact CB-CE1 4.42Å; K343-F425 HydrophobicContact CB-CZ 4.06Å; L344-F425 HydrophobicContact CD2-CD1 4.19Å; L344-F425 HydrophobicContact CD2-CE1 4.11Å; P392-F425 HydrophobicContact CB-CB 3.58Å; P392-F425 HydrophobicContact CB-CD1 4.04Å; P392-F425 HydrophobicContact CB-CD2 3.63Å; P392-F425 HydrophobicContact CB-CE2 4.31Å; P392-F425 HydrophobicContact CB-CG 3.46Å; P392-F425 VanDerWaalsContact CB-CG 3.46Å; P392-F425 HydrophobicContact CG-CB 4.05Å; P392-F425 HydrophobicContact CG-CG 4.44Å; K393-F425 HydrophobicContact CG-CD2 4.23Å; K421-F425 WeakPolarHBondContact O-CB 3.43Å; K421-F425 PolarHBondContact O-N 2.81Å; M422-F425 HydrophobicContact CE-CD1 3.97Å; M422-F425 WeakPolarHBondContact O-CB 3.05Å; M422-F425 PolarHBondContact O-N 3.43Å; M422-F425 HydrophobicContact SD-CD1 4.41Å; R423-F425 VanDerWaalsContact C-N 3.29Å; R423-F425 PolarHBondContact O-N 3.41Å; F425-K427 VanDerWaalsContact C-N 3.25Å; F425-K427 PolarHBondContact O-N 2.97Å; F425-T428 WeakPolarHBondContact O-CA 3.27Å; F425-T428 WeakPolarHBondContact O-CB 3.3Å; F425-T428 PolarHBondContact O-N 3.11Å; F425-T428 PolarHBondContact O-OG1 3.18Å
426	A	87.8	Confident	88.8	Confident	14 Å²	14	58 Å²	58	12%	0.116	28%	0.281	C	S	.	.	H	α-helix	trans	-60.7	-33.3	178.3	0	0	0	0	0	112.4	A332 M422 R423 T428 I429	A332-A426 HydrophobicContact CB-CB 3.67Å; M422-A426 WeakPolarHBondContact O-CB 3.4Å; M422-A426 PolarHBondContact O-N 2.84Å; R423-A426 PolarHBondContact O-N 3.37Å; A426-T428 PolarHBondContact O-N 3.39Å; A426-I429 WeakPolarHBondContact O-CB 3.29Å; A426-I429 PolarHBondContact O-N 2.88Å
427	K	88.3	Confident	89.2	Confident	140 Å²	140	55.4 Å²	55.4	61%	0.609	27%	0.267	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.8	-21.6	172.2	-66.8	173.8	-172.6	171.2	0	113.6	R423 E424 F425 I429	R423-K427 WeakPolarHBondContact O-CG 3.23Å; R423-K427 PolarHBondContact O-N 3.4Å; E424-K427 PolarHBondContact O-N 2.98Å; E424-K427 IonicContact OE1-NZ 3.66Å; E424-K427 PolarHBondContact OE1-NZ 2.78Å; E424-K427 WeakPolarHBondContact OE2-CD 3.46Å; E424-K427 IonicContact OE2-NZ 3.26Å; E424-K427 PolarHBondContact OE2-NZ 3.04Å; F425-K427 VanDerWaalsContact C-N 3.25Å; F425-K427 PolarHBondContact O-N 2.97Å; K427-I429 VanDerWaalsContact C-N 3.32Å
428	T	89.4	Confident	89.3	Confident	78 Å²	78	53.9 Å²	53.9	48%	0.479	26%	0.261	S	S	.	.	T	Hydrogen-bonded Turn	trans	-82.4	-12.2	176.9	74.6	0	0	0	0	113.1	F425 A426 K430	F425-T428 WeakPolarHBondContact O-CA 3.27Å; F425-T428 WeakPolarHBondContact O-CB 3.3Å; F425-T428 PolarHBondContact O-N 3.11Å; F425-T428 PolarHBondContact O-OG1 3.18Å; A426-T428 PolarHBondContact O-N 3.39Å; T428-K430 PolarHBondContact O-N 3.23Å
429	I	87.9	Confident	89.5	Confident	17 Å²	17	57.6 Å²	57.6	9%	0.087	29%	0.285	C	S	.	.	S	Bend	trans	-76.2	119	177.4	-59.8	178	0	0	0	108.5	A332 A336 L344 A426 K427 R431	A332-I429 HydrophobicContact CB-CD1 4.17Å; A336-I429 HydrophobicContact CB-CG2 3.78Å; L344-I429 HydrophobicContact CD1-CD1 3.67Å; L344-I429 HydrophobicContact CD2-CD1 3.89Å; L344-I429 HydrophobicContact CG-CD1 3.85Å; A426-I429 WeakPolarHBondContact O-CB 3.29Å; A426-I429 PolarHBondContact O-N 2.88Å; K427-I429 VanDerWaalsContact C-N 3.32Å; I429-R431 PolarHBondContact O-N 3.21Å
430	K	84.2	Confident	89.7	Confident	194 Å²	194	66.3 Å²	66.3	84%	0.843	32%	0.319	S	S	*	.			trans	-76.8	119.3	178.9	-65.1	-174.8	178.5	-176.3	0	109.9	T428	T428-K430 PolarHBondContact O-N 3.23Å
431	R	85.7	Confident	89.7	Confident	60 Å²	60	67.3 Å²	67.3	23%	0.226	33%	0.325	C	S	.	.			trans	-150.2	151.1	167.7	50.1	171.5	-175.9	-156.7	-2	109.4	L331 L334 I429 F433	L331-R431 PolarHBondContact O-NH1 3.14Å; L334-R431 PolarHBondContact O-NH1 3.42Å; I429-R431 PolarHBondContact O-N 3.21Å; R431-F433 VanDerWaalsContact CD-O 3.24Å; R431-F433 WeakPolarHBondContact CD-O 3.35Å; R431-F433 VanDerWaalsContact CG-O 3.23Å; R431-F433 WeakPolarHBondContact CG-O 3.22Å; R431-F433 PolarHBondContact NE-O 3.26Å; R431-F433 PolarHBondContact O-N 2.93Å
432	P	85.6	Confident	89.8	Confident	72 Å²	72	67.6 Å²	67.6	47%	0.468	33%	0.328	S	S	.	.	S	Bend	trans	-75	-2.5	-173.8	27.7	-31.7	0	0	0	114.1	V141	V141-P432 HydrophobicContact CG2-CG 3.46Å; V141-P432 VanDerWaalsContact CG2-CG 3.46Å
433	F	88.8	Confident	90.1	Very high	9 Å²	9	68.4 Å²	68.4	4%	0.039	33%	0.333	C	S	.	.	S	Bend	trans	-145.7	167.8	-177.8	51.3	-103.7	0	0	0	111.4	M138 V141 F144 R431 V435 V446 L447 K448	M138-F433 HydrophobicContact CE-CD1 4.08Å; M138-F433 HydrophobicContact CE-CE1 3.89Å; V141-F433 HydrophobicContact CB-CE1 4.32Å; V141-F433 HydrophobicContact CG1-CE1 3.61Å; V141-F433 HydrophobicContact CG1-CZ 3.52Å; V141-F433 HydrophobicContact CG2-CE1 3.94Å; F144-F433 AromaticContact CE1-CE2 3.98Å; F144-F433 HydrophobicContact CE1-CE2 3.98Å; F144-F433 AromaticContact CE1-CZ 3.58Å; F144-F433 HydrophobicContact CE1-CZ 3.58Å; F144-F433 AromaticContact CZ-CE2 3.97Å; F144-F433 HydrophobicContact CZ-CE2 3.97Å; F144-F433 AromaticContact CZ-CZ 3.98Å; F144-F433 HydrophobicContact CZ-CZ 3.98Å; R431-F433 VanDerWaalsContact CD-O 3.24Å; R431-F433 WeakPolarHBondContact CD-O 3.35Å; R431-F433 VanDerWaalsContact CG-O 3.23Å; R431-F433 WeakPolarHBondContact CG-O 3.22Å; R431-F433 PolarHBondContact NE-O 3.26Å; R431-F433 PolarHBondContact O-N 2.93Å; F433-V435 HydrophobicContact CD2-CG1 3.86Å; F433-V435 HydrophobicContact CE2-CG1 3.79Å; F433-V446 HydrophobicContact CB-CG1 3.85Å; F433-V446 HydrophobicContact CD1-CG1 4Å; F433-V446 HydrophobicContact CD2-CG1 3.77Å; F433-V446 HydrophobicContact CE2-CG1 4.37Å; F433-V446 HydrophobicContact CG-CG1 3.58Å; F433-L447 WeakPolarHBondContact CB-O 3.4Å; F433-K448 HydrophobicContact CB-CB 3.95Å
434	T	89.2	Confident	90.3	Very high	82 Å²	82	64.4 Å²	64.4	50%	0.503	32%	0.319	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.5	156.8	165	-64.7	0	0	0	0	109.8	L447	T434-L447 PolarHBondContact N-O 2.86Å; T434-L447 PolarHBondContact O-N 3.19Å
435	V	91.6	Very high	90.2	Very high	13 Å²	13	62 Å²	62	8%	0.079	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.3	145.5	176.7	-62.3	0	0	0	0	110.6	F144 L331 L334 F433 V444 D445	F144-V435 HydrophobicContact CE2-CG1 4.44Å; F144-V435 HydrophobicContact CZ-CG1 4.42Å; L331-V435 HydrophobicContact CB-CG2 4.32Å; L331-V435 HydrophobicContact CD2-CG2 4.14Å; L331-V435 WeakPolarHBondContact O-CG2 3.43Å; L334-V435 HydrophobicContact CB-CG2 4.45Å; L334-V435 HydrophobicContact CD1-CG2 4.34Å; F433-V435 HydrophobicContact CD2-CG1 3.86Å; F433-V435 HydrophobicContact CE2-CG1 3.79Å; V435-V444 HydrophobicContact CB-CG1 3.65Å; V435-V444 HydrophobicContact CG1-CG1 3.91Å; V435-D445 WeakPolarHBondContact CA-O 3.36Å
436	R	92.1	Very high	90.2	Very high	60 Å²	60	62.9 Å²	62.9	23%	0.226	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.3	137	171.2	173.6	178.4	172.3	-125.1	12	108.8	V444 D445 L447 E459	R436-V444 CarbonylContact O-C 3.54Å; R436-V444 WeakPolarHBondContact O-CA 3.21Å; R436-D445 PolarHBondContact N-O 3Å; R436-D445 IonicContact NH1-OD2 2.88Å; R436-D445 PolarHBondContact O-N 3.36Å; R436-L447 HydrophobicContact CB-CD1 4.18Å; R436-E459 IonicContact CZ-OE2 3.18Å; R436-E459 VanDerWaalsContact CZ-OE2 3.27Å; R436-E459 IonicContact NH1-OE2 2.73Å; R436-E459 PolarHBondContact NH1-OE2 3.45Å; R436-E459 IonicContact NH2-OE2 3.85Å; R436-E459 PolarHBondContact NH2-OE2 3.28Å
437	Y	94.9	Very high	90.2	Very high	32 Å²	32	63.7 Å²	63.7	13%	0.125	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.9	128.4	170.5	-176.5	-111.6	0	0	0	110.4	F283 P439 S443 V444	F283-Y437 HydrophobicContact CB-CE2 4.38Å; F283-Y437 HydrophobicContact CD1-CD2 4.36Å; F283-Y437 AromaticContact CD1-CE2 3.69Å; F283-Y437 HydrophobicContact CD1-CE2 3.69Å; F283-Y437 HydrophobicContact CE1-CE2 4.3Å; F283-Y437 HydrophobicContact CG-CE2 4.3Å; Y437-P439 HydrophobicContact CD1-CB 4.34Å; Y437-P439 HydrophobicContact CE1-CB 3.95Å; Y437-S443 WeakPolarHBondContact CD2-O 3.41Å; Y437-V444 HydrophobicContact CD2-CG2 4.37Å
438	N	92.9	Very high	90.1	Very high	18 Å²	18	61.4 Å²	61.4	10%	0.096	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.9	108.7	170.8	-171.6	-32.3	0	0	0	109.5	Y440 T441 Q442 S443	N438-Y440 VanDerWaalsContact C-N 3.3Å; N438-Y440 PolarHBondContact O-N 2.78Å; N438-Y440 WeakPolarHBondContact OD1-CB 3.33Å; N438-Y440 PolarHBondContact OD1-N 2.84Å; N438-T441 WeakPolarHBondContact CB-OG1 3.4Å; N438-T441 PolarHBondContact OD1-N 3.15Å; N438-T441 PolarHBondContact OD1-OG1 2.94Å; N438-Q442 VanDerWaalsContact O-CA 3.3Å; N438-Q442 WeakPolarHBondContact O-CA 3.42Å; N438-Q442 PolarHBondContact O-N 2.59Å; N438-S443 PolarHBondContact N-O 3.5Å; N438-S443 PolarHBondContact O-N 2.82Å
439	P	93.1	Very high	90	Very high	78 Å²	78	60.8 Å²	60.8	51%	0.506	30%	0.302	S	S	.	.	T	Hydrogen-bonded Turn	trans	-71.6	-22.9	-176.7	29.4	-35.1	0	0	0	113.5	Y437	Y437-P439 HydrophobicContact CD1-CB 4.34Å; Y437-P439 HydrophobicContact CE1-CB 3.95Å
440	Y	90.2	Very high	90	Very high	196 Å²	196	64.6 Å²	64.6	77%	0.769	33%	0.326	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74.4	-42.4	-178.6	-62.8	-74.9	0	0	0	111.7	N438	N438-Y440 VanDerWaalsContact C-N 3.3Å; N438-Y440 PolarHBondContact O-N 2.78Å; N438-Y440 WeakPolarHBondContact OD1-CB 3.33Å; N438-Y440 PolarHBondContact OD1-N 2.84Å
441	T	91	Very high	90.1	Very high	86 Å²	86	59.8 Å²	59.8	53%	0.528	32%	0.315	S	S	.	.	T	Hydrogen-bonded Turn	trans	-94.7	-7.2	179.1	55.4	0	0	0	0	112.9	N438 S443	N438-T441 WeakPolarHBondContact CB-OG1 3.4Å; N438-T441 PolarHBondContact OD1-N 3.15Å; N438-T441 PolarHBondContact OD1-OG1 2.94Å; T441-S443 PolarHBondContact O-N 2.7Å; T441-S443 PolarHBondContact OG1-OG 3.26Å
442	Q	94.5	Very high	90.2	Very high	67 Å²	67	58.2 Å²	58.2	31%	0.313	31%	0.313	S	S	.	.	T	Hydrogen-bonded Turn	trans	52.6	43	-174.9	-54.1	-176.2	-49.2	0	0	112.1	I148 N438	I148-Q442 HydrophobicContact CB-CB 4.13Å; I148-Q442 HydrophobicContact CG2-CB 3.67Å; I148-Q442 PolarHBondContact N-O 3.48Å; N438-Q442 VanDerWaalsContact O-CA 3.3Å; N438-Q442 WeakPolarHBondContact O-CA 3.42Å; N438-Q442 PolarHBondContact O-N 2.59Å
443	S	93.9	Very high	90.4	Very high	19 Å²	19	58.7 Å²	58.7	13%	0.133	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127	164.2	-177	63.6	0	0	0	0	112.3	K146 Y437 N438 T441	K146-S443 CarbonylContact O-C 3.58Å; K146-S443 VanDerWaalsContact O-CA 3.24Å; K146-S443 WeakPolarHBondContact O-CA 3.36Å; K146-S443 WeakPolarHBondContact O-CB 3.38Å; Y437-S443 WeakPolarHBondContact CD2-O 3.41Å; N438-S443 PolarHBondContact N-O 3.5Å; N438-S443 PolarHBondContact O-N 2.82Å; T441-S443 PolarHBondContact O-N 2.7Å; T441-S443 PolarHBondContact OG1-OG 3.26Å
444	V	92.9	Very high	90.4	Very high	9 Å²	9	62.5 Å²	62.5	6%	0.055	33%	0.331	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.3	117.6	172.6	174.6	0	0	0	0	108.9	F144 K146 F283 L334 V435 R436 Y437	F144-V444 HydrophobicContact CE2-CG1 4.21Å; K146-V444 PolarHBondContact O-N 2.78Å; F283-V444 HydrophobicContact CE1-CG2 3.81Å; F283-V444 HydrophobicContact CE2-CG2 4.01Å; F283-V444 HydrophobicContact CZ-CB 4.36Å; F283-V444 HydrophobicContact CZ-CG2 3.39Å; L334-V444 HydrophobicContact CD1-CB 4.29Å; L334-V444 HydrophobicContact CD1-CG1 3.84Å; L334-V444 HydrophobicContact CD1-CG2 3.63Å; V435-V444 HydrophobicContact CB-CG1 3.65Å; V435-V444 HydrophobicContact CG1-CG1 3.91Å; R436-V444 CarbonylContact O-C 3.54Å; R436-V444 WeakPolarHBondContact O-CA 3.21Å; Y437-V444 HydrophobicContact CD2-CG2 4.37Å
445	D	88.9	Confident	90.3	Very high	43 Å²	43	61.9 Å²	61.9	23%	0.23	33%	0.33	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84	125.4	173.6	-57.5	-28.8	0	0	0	108.7	V435 R436 L447	V435-D445 WeakPolarHBondContact CA-O 3.36Å; R436-D445 PolarHBondContact N-O 3Å; R436-D445 IonicContact NH1-OD2 2.88Å; R436-D445 PolarHBondContact O-N 3.36Å; D445-L447 HydrophobicContact CB-CD2 4.39Å
446	V	90.9	Very high	90.2	Very high	33 Å²	33	62 Å²	62	20%	0.2	33%	0.332	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.8	111.3	177.7	-177.3	0	0	0	0	108.4	F144 F433 K448	F144-V446 HydrophobicContact CE2-CG2 4.25Å; F144-V446 HydrophobicContact CZ-CG2 3.85Å; F433-V446 HydrophobicContact CB-CG1 3.85Å; F433-V446 HydrophobicContact CD1-CG1 4Å; F433-V446 HydrophobicContact CD2-CG1 3.77Å; F433-V446 HydrophobicContact CE2-CG1 4.37Å; F433-V446 HydrophobicContact CG-CG1 3.58Å; V446-K448 HydrophobicContact CG1-CB 4.43Å; V446-K448 PolarHBondContact O-N 3.31Å
447	L	89	Confident	90.1	Very high	31 Å²	31	62.8 Å²	62.8	16%	0.162	34%	0.342	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.2	94.6	-179.3	-49.5	-178.4	0	0	0	108.5	F433 T434 R436 D445 I453 V456	F433-L447 WeakPolarHBondContact CB-O 3.4Å; T434-L447 PolarHBondContact N-O 2.86Å; T434-L447 PolarHBondContact O-N 3.19Å; R436-L447 HydrophobicContact CB-CD1 4.18Å; D445-L447 HydrophobicContact CB-CD2 4.39Å; L447-I453 HydrophobicContact CB-CG1 4.25Å; L447-V456 HydrophobicContact CD2-CG2 3.64Å
448	K	86.2	Confident	89.9	Confident	92 Å²	92	66.6 Å²	66.6	40%	0.4	36%	0.361	S	S	.	.			trans	-121.6	-17.1	-175.5	65.9	176.4	-177.9	174.8	0	114.1	E135 M138 F433 V446 S452	E135-K448 IonicContact OE1-NZ 3.56Å; E135-K448 PolarHBondContact OE1-NZ 3.45Å; M138-K448 HydrophobicContact SD-CD 3.9Å; F433-K448 HydrophobicContact CB-CB 3.95Å; V446-K448 HydrophobicContact CG1-CB 4.43Å; V446-K448 PolarHBondContact O-N 3.31Å; K448-S452 PolarHBondContact N-OG 3.39Å
449	D	85.9	Confident	89.6	Confident	65 Å²	65	69.3 Å²	69.3	35%	0.348	37%	0.374	S	S	.	.	S	Bend	trans	-142.6	164.7	-172.7	55.7	41.7	0	0	0	111.7	P451 S452 I453	D449-P451 WeakPolarHBondContact OD1-CD 3.49Å; D449-S452 PolarHBondContact N-OG 3.17Å; D449-S452 PolarHBondContact O-N 3.4Å; D449-S452 PolarHBondContact O-OG 3.31Å; D449-S452 WeakPolarHBondContact OD1-CB 3.44Å; D449-S452 PolarHBondContact OD1-N 3.08Å; D449-S452 PolarHBondContact OD1-OG 2.88Å; D449-I453 VanDerWaalsContact O-CG1 3.31Å; D449-I453 WeakPolarHBondContact O-CG1 3.24Å; D449-I453 PolarHBondContact O-N 2.89Å; D449-I453 VanDerWaalsContact O-N 3.15Å
450	T	87.8	Confident	89.5	Confident	97 Å²	97	69.9 Å²	69.9	60%	0.595	37%	0.372	S	S	*	.	H	α-helix	trans	-57.4	-41.9	-179.8	-47.9	0	0	0	0	113.3	I453 N454	T450-I453 PolarHBondContact O-N 3.02Å; T450-N454 WeakPolarHBondContact O-CB 3.49Å; T450-N454 VanDerWaalsContact O-CG 3.28Å; T450-N454 PolarHBondContact O-N 3.31Å
451	P	87.6	Confident	89.6	Confident	93 Å²	93	67.5 Å²	67.5	60%	0.604	36%	0.361	S	S	*	.	H	α-helix	trans	-59.9	-47.5	176.8	-25.8	35.7	0	0	0	114	D449 I453 N454 S455	D449-P451 WeakPolarHBondContact OD1-CD 3.49Å; P451-I453 VanDerWaalsContact C-N 3.31Å; P451-I453 PolarHBondContact O-N 3.44Å; P451-N454 PolarHBondContact O-N 3.42Å; P451-S455 PolarHBondContact O-N 3.12Å; P451-S455 VanDerWaalsContact O-N 3.07Å
452	S	86.6	Confident	89.6	Confident	28 Å²	28	69 Å²	69	20%	0.196	36%	0.362	C	S	.	.	H	α-helix	trans	-62.2	-39.5	178.5	53.5	0	0	0	0	111.8	K448 D449 V456	K448-S452 PolarHBondContact N-OG 3.39Å; D449-S452 PolarHBondContact N-OG 3.17Å; D449-S452 PolarHBondContact O-N 3.4Å; D449-S452 PolarHBondContact O-OG 3.31Å; D449-S452 WeakPolarHBondContact OD1-CB 3.44Å; D449-S452 PolarHBondContact OD1-N 3.08Å; D449-S452 PolarHBondContact OD1-OG 2.88Å; S452-V456 PolarHBondContact O-N 2.82Å
453	I	90.1	Very high	89.4	Confident	81 Å²	81	70.1 Å²	70.1	42%	0.415	37%	0.367	S	S	.	.	H	α-helix	trans	-67.2	-46.5	176.2	-64.3	166.4	0	0	0	111.2	L447 D449 T450 P451 S455 V456 V457	L447-I453 HydrophobicContact CB-CG1 4.25Å; D449-I453 VanDerWaalsContact O-CG1 3.31Å; D449-I453 WeakPolarHBondContact O-CG1 3.24Å; D449-I453 PolarHBondContact O-N 2.89Å; D449-I453 VanDerWaalsContact O-N 3.15Å; T450-I453 PolarHBondContact O-N 3.02Å; P451-I453 VanDerWaalsContact C-N 3.31Å; P451-I453 PolarHBondContact O-N 3.44Å; I453-S455 VanDerWaalsContact C-N 3.29Å; I453-S455 PolarHBondContact O-N 2.85Å; I453-V456 PolarHBondContact O-N 3.02Å; I453-V456 VanDerWaalsContact O-N 3.12Å; I453-V457 HydrophobicContact CG2-CG2 4.31Å; I453-V457 WeakPolarHBondContact O-CG2 3.47Å; I453-V457 PolarHBondContact O-N 2.69Å
454	N	89.8	Confident	89.4	Confident	89 Å²	89	75 Å²	75	48%	0.476	39%	0.391	S	S	.	.	H	α-helix	trans	-59.7	-39.3	180	-79	-13.2	0	0	0	112.1	T450 P451 V456 V457 E458	T450-N454 WeakPolarHBondContact O-CB 3.49Å; T450-N454 VanDerWaalsContact O-CG 3.28Å; T450-N454 PolarHBondContact O-N 3.31Å; P451-N454 PolarHBondContact O-N 3.42Å; N454-V456 VanDerWaalsContact C-N 3.29Å; N454-V456 PolarHBondContact O-N 2.9Å; N454-V457 PolarHBondContact O-N 3.45Å; N454-E458 PolarHBondContact O-N 2.91Å
455	S	87.1	Confident	89.4	Confident	69 Å²	69	79 Å²	79	48%	0.483	41%	0.413	S	S	.	.	H	α-helix	trans	-60.2	-40.5	176.7	-167.9	0	0	0	0	112.1	P451 I453 E459	P451-S455 PolarHBondContact O-N 3.12Å; P451-S455 VanDerWaalsContact O-N 3.07Å; I453-S455 VanDerWaalsContact C-N 3.29Å; I453-S455 PolarHBondContact O-N 2.85Å; S455-E459 WeakPolarHBondContact O-CG 3.37Å; S455-E459 PolarHBondContact O-N 3.12Å
456	V	88.4	Confident	89.7	Confident	17 Å²	17	81.1 Å²	81.1	10%	0.103	42%	0.423	C	S	.	.	H	α-helix	trans	-69.4	-37.6	176.6	175.8	0	0	0	0	111.6	L447 S452 I453 N454 E459 L460	L447-V456 HydrophobicContact CD2-CG2 3.64Å; S452-V456 PolarHBondContact O-N 2.82Å; I453-V456 PolarHBondContact O-N 3.02Å; I453-V456 VanDerWaalsContact O-N 3.12Å; N454-V456 VanDerWaalsContact C-N 3.29Å; N454-V456 PolarHBondContact O-N 2.9Å; V456-E459 PolarHBondContact O-N 2.93Å; V456-L460 HydrophobicContact CG1-CD1 4.05Å; V456-L460 HydrophobicContact CG1-CG 4.35Å; V456-L460 WeakPolarHBondContact O-CG 3.3Å; V456-L460 PolarHBondContact O-N 3.14Å
457	V	90.9	Very high	89.8	Confident	75 Å²	75	83.4 Å²	83.4	46%	0.455	44%	0.437	S	S	.	.	H	α-helix	trans	-63.1	-42.9	178.4	170.7	0	0	0	0	111.2	I453 N454 L460 R461	I453-V457 HydrophobicContact CG2-CG2 4.31Å; I453-V457 WeakPolarHBondContact O-CG2 3.47Å; I453-V457 PolarHBondContact O-N 2.69Å; N454-V457 PolarHBondContact O-N 3.45Å; V457-L460 PolarHBondContact O-N 3.45Å; V457-R461 WeakPolarHBondContact O-CB 3.29Å; V457-R461 PolarHBondContact O-N 3.19Å
458	E	89.8	Confident	90	Very high	112 Å²	112	83.7 Å²	83.7	52%	0.523	45%	0.447	S	S	.	.	H	α-helix	trans	-65	-38.9	177	-70	-60.1	154.6	0	0	112.2	N454 R461 H462	N454-E458 PolarHBondContact O-N 2.91Å; E458-R461 WeakPolarHBondContact O-CB 3.3Å; E458-R461 PolarHBondContact O-N 3.21Å; E458-H462 PolarHBondContact O-N 3.17Å; E458-H462 VanDerWaalsContact O-N 3.16Å
459	E	87.4	Confident	90.4	Very high	76 Å²	76	83 Å²	83	36%	0.355	45%	0.448	S	S	.	.	H	α-helix	trans	-60.7	-47.3	172.6	-72	176.3	-168.3	0	0	112	R436 S455 V456 R461 H462 E463	R436-E459 IonicContact CZ-OE2 3.18Å; R436-E459 VanDerWaalsContact CZ-OE2 3.27Å; R436-E459 IonicContact NH1-OE2 2.73Å; R436-E459 PolarHBondContact NH1-OE2 3.45Å; R436-E459 IonicContact NH2-OE2 3.85Å; R436-E459 PolarHBondContact NH2-OE2 3.28Å; S455-E459 WeakPolarHBondContact O-CG 3.37Å; S455-E459 PolarHBondContact O-N 3.12Å; V456-E459 PolarHBondContact O-N 2.93Å; E459-R461 VanDerWaalsContact C-N 3.27Å; E459-R461 PolarHBondContact O-N 3.23Å; E459-H462 WeakPolarHBondContact O-CB 3.37Å; E459-H462 PolarHBondContact O-N 3.28Å; E459-E463 PolarHBondContact O-N 2.77Å
460	L	90.2	Very high	90.8	Very high	89 Å²	89	82.2 Å²	82.2	47%	0.466	45%	0.45	S	S	.	.	H	α-helix	trans	-65.1	-33.2	179.4	-71.4	175	0	0	0	112.2	V456 V457 H462 E463 L464	V456-L460 HydrophobicContact CG1-CD1 4.05Å; V456-L460 HydrophobicContact CG1-CG 4.35Å; V456-L460 WeakPolarHBondContact O-CG 3.3Å; V456-L460 PolarHBondContact O-N 3.14Å; V457-L460 PolarHBondContact O-N 3.45Å; L460-H462 VanDerWaalsContact C-N 3.33Å; L460-E463 PolarHBondContact O-N 2.82Å; L460-L464 WeakPolarHBondContact O-CG 3.33Å; L460-L464 PolarHBondContact O-N 3.45Å
461	R	92.9	Very high	91.1	Very high	146 Å²	146	82.3 Å²	82.3	55%	0.551	45%	0.447	S	S	*	.	H	α-helix	trans	-62.3	-43	174.3	-174.5	179.4	179.1	177.1	1.3	111.1	V457 E458 E459 E463 L464 D465	V457-R461 WeakPolarHBondContact O-CB 3.29Å; V457-R461 PolarHBondContact O-N 3.19Å; E458-R461 WeakPolarHBondContact O-CB 3.3Å; E458-R461 PolarHBondContact O-N 3.21Å; E459-R461 VanDerWaalsContact C-N 3.27Å; E459-R461 PolarHBondContact O-N 3.23Å; R461-E463 VanDerWaalsContact C-N 3.34Å; R461-E463 PolarHBondContact O-N 3.41Å; R461-L464 PolarHBondContact O-N 3.06Å; R461-D465 VanDerWaalsContact O-CG 3.25Å; R461-D465 PolarHBondContact O-N 2.86Å
462	H	90	Very high	91.3	Very high	117 Å²	117	80.2 Å²	80.2	54%	0.542	43%	0.434	S	S	.	.	H	α-helix	trans	-61.1	-43	176.4	-171	57.1	0	0	0	112.3	E458 E459 L460 L464 D465 I466	E458-H462 PolarHBondContact O-N 3.17Å; E458-H462 VanDerWaalsContact O-N 3.16Å; E459-H462 WeakPolarHBondContact O-CB 3.37Å; E459-H462 PolarHBondContact O-N 3.28Å; L460-H462 VanDerWaalsContact C-N 3.33Å; H462-L464 PolarHBondContact O-N 3.36Å; H462-D465 PolarHBondContact O-N 2.89Å; H462-I466 WeakPolarHBondContact O-CG1 3.47Å; H462-I466 PolarHBondContact O-N 2.84Å; H462-I466 VanDerWaalsContact O-N 3.12Å
463	E	90.8	Very high	91.6	Very high	91 Å²	91	86.3 Å²	86.3	43%	0.425	45%	0.453	S	S	.	.	H	α-helix	trans	-63.2	-40.4	175.5	-66	-64.7	157.1	0	0	112.1	E459 L460 R461 I466 V467	E459-E463 PolarHBondContact O-N 2.77Å; L460-E463 PolarHBondContact O-N 2.82Å; R461-E463 VanDerWaalsContact C-N 3.34Å; R461-E463 PolarHBondContact O-N 3.41Å; E463-I466 PolarHBondContact O-N 3.25Å; E463-V467 WeakPolarHBondContact O-CG2 3.33Å; E463-V467 PolarHBondContact O-N 2.94Å
464	L	93.8	Very high	91.8	Very high	121 Å²	121	86.5 Å²	86.5	63%	0.634	45%	0.454	S	S	*	.	H	α-helix	trans	-66.3	-36.1	175	-73.2	173.1	0	0	0	112.5	L460 R461 H462 I466 V467 G468	L460-L464 WeakPolarHBondContact O-CG 3.33Å; L460-L464 PolarHBondContact O-N 3.45Å; R461-L464 PolarHBondContact O-N 3.06Å; H462-L464 PolarHBondContact O-N 3.36Å; L464-I466 VanDerWaalsContact C-N 3.32Å; L464-I466 PolarHBondContact O-N 3.18Å; L464-V467 PolarHBondContact O-N 3.27Å; L464-G468 PolarHBondContact O-N 2.8Å
465	D	94.3	Very high	91.8	Very high	95 Å²	95	85.9 Å²	85.9	51%	0.508	45%	0.451	S	S	.	.	H	α-helix	trans	-63.6	-39	175.7	-71.3	-23.6	0	0	0	111.1	R461 H462 G468 D469	R461-D465 VanDerWaalsContact O-CG 3.25Å; R461-D465 PolarHBondContact O-N 2.86Å; H462-D465 PolarHBondContact O-N 2.89Å; D465-G468 PolarHBondContact O-N 2.82Å; D465-D469 PolarHBondContact O-N 3.39Å
466	I	93.9	Very high	91.8	Very high	87 Å²	87	90.5 Å²	90.5	45%	0.446	46%	0.463	S	S	.	.	H	α-helix	trans	-61.9	-46.6	174.6	-66	166.8	0	0	0	110.8	H462 E463 L464 G468 D469 A470	H462-I466 WeakPolarHBondContact O-CG1 3.47Å; H462-I466 PolarHBondContact O-N 2.84Å; H462-I466 VanDerWaalsContact O-N 3.12Å; E463-I466 PolarHBondContact O-N 3.25Å; L464-I466 VanDerWaalsContact C-N 3.32Å; L464-I466 PolarHBondContact O-N 3.18Å; I466-G468 VanDerWaalsContact C-N 3.3Å; I466-G468 PolarHBondContact O-N 2.98Å; I466-D469 PolarHBondContact O-N 3.04Å; I466-A470 PolarHBondContact O-N 2.84Å
467	V	93.6	Very high	91.4	Very high	81 Å²	81	97.3 Å²	97.3	49%	0.491	49%	0.493	S	S	.	.	H	α-helix	trans	-63.1	-39.9	176.2	175.9	0	0	0	0	110.7	E463 L464 A470 L471	E463-V467 WeakPolarHBondContact O-CG2 3.33Å; E463-V467 PolarHBondContact O-N 2.94Å; L464-V467 PolarHBondContact O-N 3.27Å; V467-A470 PolarHBondContact O-N 3.36Å; V467-L471 HydrophobicContact CG1-CD1 4.17Å; V467-L471 WeakPolarHBondContact O-CG 3.45Å; V467-L471 PolarHBondContact O-N 3.29Å
468	G	93.6	Very high	91	Very high	36 Å²	36	99.9 Å²	99.9	37%	0.371	50%	0.503	S	S	.	.	H	α-helix	trans	-60.4	-45.3	175.2	0	0	0	0	0	113	L464 D465 I466 L471 S472	L464-G468 PolarHBondContact O-N 2.8Å; D465-G468 PolarHBondContact O-N 2.82Å; I466-G468 VanDerWaalsContact C-N 3.3Å; I466-G468 PolarHBondContact O-N 2.98Å; G468-L471 PolarHBondContact O-N 3.28Å; G468-S472 WeakPolarHBondContact O-CB 3.4Å; G468-S472 PolarHBondContact O-N 2.85Å
469	D	94.1	Very high	90	Very high	78 Å²	78	97.9 Å²	97.9	42%	0.417	51%	0.513	S	S	.	.	H	α-helix	trans	-64.2	-41.7	175.4	-172.2	46.9	0	0	0	111.4	D465 I466 L471 S472 R473	D465-D469 PolarHBondContact O-N 3.39Å; I466-D469 PolarHBondContact O-N 3.04Å; D469-L471 PolarHBondContact O-N 3.09Å; D469-S472 PolarHBondContact O-N 3.31Å; D469-R473 WeakPolarHBondContact O-CG 3.38Å; D469-R473 PolarHBondContact O-N 3.22Å; D469-R473 IonicContact OD1-NE 3.59Å; D469-R473 IonicContact OD2-CZ 3.26Å; D469-R473 VanDerWaalsContact OD2-CZ 3.26Å; D469-R473 IonicContact OD2-NE 2.78Å; D469-R473 PolarHBondContact OD2-NE 2.94Å; D469-R473 IonicContact OD2-NH2 2.85Å; D469-R473 PolarHBondContact OD2-NH2 3.33Å
470	A	94.4	Very high	88.5	Confident	49 Å²	49	102 Å²	102	41%	0.405	54%	0.543	S	S	.	.	H	α-helix	trans	-60	-45	176.3	0	0	0	0	0	112.1	I466 V467 R473 L474	I466-A470 PolarHBondContact O-N 2.84Å; V467-A470 PolarHBondContact O-N 3.36Å; A470-R473 PolarHBondContact O-N 3.44Å; A470-L474 PolarHBondContact O-N 3.49Å
471	L	93.4	Very high	88.4	Confident	99 Å²	99	102.6 Å²	102.6	52%	0.518	55%	0.547	S	S	.	.	H	α-helix	trans	-64.3	-42.1	175.5	-72.2	171.9	0	0	0	111.9	V467 G468 D469 R473 L474 N475	V467-L471 HydrophobicContact CG1-CD1 4.17Å; V467-L471 WeakPolarHBondContact O-CG 3.45Å; V467-L471 PolarHBondContact O-N 3.29Å; G468-L471 PolarHBondContact O-N 3.28Å; D469-L471 PolarHBondContact O-N 3.09Å; L471-R473 VanDerWaalsContact C-N 3.34Å; L471-R473 PolarHBondContact O-N 2.81Å; L471-L474 PolarHBondContact O-N 2.95Å; L471-N475 PolarHBondContact O-N 2.98Å
472	S	92.6	Very high	88.2	Confident	48 Å²	48	100.3 Å²	100.3	34%	0.336	55%	0.547	S	S	.	.	H	α-helix	trans	-60.9	-42.1	176.9	-175.8	0	0	0	0	112.1	G468 D469 N475 K476	G468-S472 WeakPolarHBondContact O-CB 3.4Å; G468-S472 PolarHBondContact O-N 2.85Å; D469-S472 PolarHBondContact O-N 3.31Å; S472-N475 PolarHBondContact O-N 3.33Å; S472-K476 WeakPolarHBondContact O-CG 3.22Å; S472-K476 PolarHBondContact O-N 2.85Å
473	R	93	Very high	88.1	Confident	156 Å²	156	99.4 Å²	99.4	59%	0.589	55%	0.547	S	S	*	.	H	α-helix	trans	-64.5	-42.1	175	-70.7	174	-170.4	-118.8	4.5	112.2	D469 A470 L471 K476 Q477	D469-R473 WeakPolarHBondContact O-CG 3.38Å; D469-R473 PolarHBondContact O-N 3.22Å; D469-R473 IonicContact OD1-NE 3.59Å; D469-R473 IonicContact OD2-CZ 3.26Å; D469-R473 VanDerWaalsContact OD2-CZ 3.26Å; D469-R473 IonicContact OD2-NE 2.78Å; D469-R473 PolarHBondContact OD2-NE 2.94Å; D469-R473 IonicContact OD2-NH2 2.85Å; D469-R473 PolarHBondContact OD2-NH2 3.33Å; A470-R473 PolarHBondContact O-N 3.44Å; L471-R473 VanDerWaalsContact C-N 3.34Å; L471-R473 PolarHBondContact O-N 2.81Å; R473-K476 PolarHBondContact O-N 3.05Å; R473-Q477 WeakPolarHBondContact O-CG 3.41Å; R473-Q477 PolarHBondContact O-N 3.06Å
474	L	92.9	Very high	87.9	Confident	85 Å²	85	99.9 Å²	99.9	45%	0.445	55%	0.554	S	S	.	*	H	α-helix	trans	-62.9	-44.8	176	-79.9	166.6	0	0	0	111.7	A470 L471 K476 Q477 L478	A470-L474 PolarHBondContact O-N 3.49Å; L471-L474 PolarHBondContact O-N 2.95Å; L474-K476 PolarHBondContact O-N 3.4Å; L474-Q477 PolarHBondContact O-N 3.16Å; L474-Q477 VanDerWaalsContact O-N 3.14Å; L474-L478 WeakPolarHBondContact O-CB 3.33Å; L474-L478 WeakPolarHBondContact O-CG 3.42Å; L474-L478 PolarHBondContact O-N 3.17Å
475	N	90.1	Very high	87.6	Confident	77 Å²	77	98.6 Å²	98.6	41%	0.412	55%	0.549	S	S	.	.	H	α-helix	trans	-61.7	-43.2	177.6	-72.4	-9.6	0	0	0	111.7	L471 S472 Q477 L478 G479 V480	L471-N475 PolarHBondContact O-N 2.98Å; S472-N475 PolarHBondContact O-N 3.33Å; N475-Q477 VanDerWaalsContact C-N 3.31Å; N475-Q477 PolarHBondContact O-N 3.12Å; N475-L478 CarbonylContact O-C 3.52Å; N475-L478 PolarHBondContact O-N 3.34Å; N475-G479 PolarHBondContact O-N 3.03Å; N475-V480 PolarHBondContact O-N 3.12Å; N475-V480 VanDerWaalsContact O-N 3.14Å
476	K	87.6	Confident	87.1	Confident	166 Å²	166	98.8 Å²	98.8	72%	0.722	55%	0.552	S	S	*	*	H	α-helix	trans	-61	-36.1	173.8	-73.8	176.4	-176.3	174.8	0	113.2	S472 R473 L474	S472-K476 WeakPolarHBondContact O-CG 3.22Å; S472-K476 PolarHBondContact O-N 2.85Å; R473-K476 PolarHBondContact O-N 3.05Å; L474-K476 PolarHBondContact O-N 3.4Å
477	Q	80.8	Confident	86.6	Confident	160 Å²	160	99.6 Å²	99.6	75%	0.748	56%	0.559	S	S	*	*	H	α-helix	trans	-73.5	-34	175.7	-76.8	-178	-16.6	0	0	112.8	R473 L474 N475 G479	R473-Q477 WeakPolarHBondContact O-CG 3.41Å; R473-Q477 PolarHBondContact O-N 3.06Å; L474-Q477 PolarHBondContact O-N 3.16Å; L474-Q477 VanDerWaalsContact O-N 3.14Å; N475-Q477 VanDerWaalsContact C-N 3.31Å; N475-Q477 PolarHBondContact O-N 3.12Å; Q477-G479 VanDerWaalsContact C-N 3.34Å
478	L	82.6	Confident	86.1	Confident	128 Å²	128	101.1 Å²	101.1	67%	0.67	57%	0.565	S	S	*	*	H	α-helix	trans	-84.9	-6.3	179.4	-68.1	167.8	0	0	0	113.3	L474 N475 V480	L474-L478 WeakPolarHBondContact O-CB 3.33Å; L474-L478 WeakPolarHBondContact O-CG 3.42Å; L474-L478 PolarHBondContact O-N 3.17Å; N475-L478 CarbonylContact O-C 3.52Å; N475-L478 PolarHBondContact O-N 3.34Å; L478-V480 VanDerWaalsContact C-N 3.33Å; L478-V480 HydrophobicContact CB-CG2 4.34Å
479	G	68.4	Low	85.5	Confident	71 Å²	71	106.5 Å²	106.5	73%	0.732	58%	0.581	S	S	*	*	T	Hydrogen-bonded Turn	trans	70.9	25.5	178	0	0	0	0	0	114.1	N475 Q477	N475-G479 PolarHBondContact O-N 3.03Å; Q477-G479 VanDerWaalsContact C-N 3.34Å
480	V	55.9	Low	84.7	Confident	161 Å²	161	109.1 Å²	109.1	98%	0.976	60%	0.596	S	S	*	*			trans	-101.1	0	177.8	-174.4	0	0	0	0	110.5	N475 L478	N475-V480 PolarHBondContact O-N 3.12Å; N475-V480 VanDerWaalsContact O-N 3.14Å; L478-V480 VanDerWaalsContact C-N 3.33Å; L478-V480 HydrophobicContact CB-CG2 4.34Å

Retrieved 480 of 480 residues in 194.7 ms (Link to these results)

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