A0A077Z6K8_TRITR Loading...

Uncharacterized protein

AlphaFold DB , UniProt , Accession A0A077Z6K8, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 558 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	24.6	Very low	28.5	Very low	234 Å²	234	153.5 Å²	153.5	100%	1.153	79%	0.79	S	S	*	*				0	122.2	0	-89.3	171.8	73.9	0	0	107.6	T3	M1-T3 PolarHBondContact O-N 3.25Å
2	F	23.3	Very low	29.6	Very low	215 Å²	215	142 Å²	142	94%	0.943	74%	0.735	S	S	*	*			trans	-62.8	107.9	-177.6	-83.9	-100.5	0	0	0	111	L4	F2-L4 PolarHBondContact O-N 3.11Å
3	T	24.5	Very low	30.4	Very low	134 Å²	134	133.8 Å²	133.8	82%	0.822	69%	0.693	S	S	*	*			trans	-90.2	100.3	171.9	-40.1	0	0	0	0	108.7	M1 L5	M1-T3 PolarHBondContact O-N 3.25Å; T3-L5 PolarHBondContact O-N 2.95Å; T3-L5 VanDerWaalsContact O-N 3.08Å
4	L	22.7	Very low	31.1	Very low	139 Å²	139	127.8 Å²	127.8	73%	0.728	67%	0.668	S	S	*	*			trans	-50	99.5	175	-148.1	89.3	0	0	0	111.7	F2 L6	F2-L4 PolarHBondContact O-N 3.11Å; L4-L6 VanDerWaalsContact C-N 3.29Å; L4-L6 HydrophobicContact CG-CB 4.42Å; L4-L6 PolarHBondContact O-N 3.46Å
5	L	24.8	Very low	31.6	Very low	133 Å²	133	127.2 Å²	127.2	70%	0.696	66%	0.659	S	S	*	*			trans	-91.4	52.3	-177.8	-133.9	155	0	0	0	110.9	T3 Y37	T3-L5 PolarHBondContact O-N 2.95Å; T3-L5 VanDerWaalsContact O-N 3.08Å; L5-Y37 HydrophobicContact CD2-CE2 3.83Å
6	L	24.4	Very low	32.3	Very low	143 Å²	143	121.7 Å²	121.7	75%	0.749	64%	0.635	S	S	*	*			trans	-123.8	10	-162.1	-110.9	165.8	0	0	0	117.7	L4	L4-L6 VanDerWaalsContact C-N 3.29Å; L4-L6 HydrophobicContact CG-CB 4.42Å; L4-L6 PolarHBondContact O-N 3.46Å
7	I	28.1	Very low	32.6	Very low	140 Å²	140	120.4 Å²	120.4	72%	0.718	62%	0.62	S	S	*	*	S	Bend	trans	-130.4	-8	-172.6	-59.9	-177.1	0	0	0	116.9	A9	I7-A9 PolarHBondContact O-N 3.44Å
8	V	29.4	Very low	33.1	Very low	148 Å²	148	117.7 Å²	117.7	90%	0.897	61%	0.61	S	S	*	*			trans	-91.8	-1.9	-168.4	-168.2	0	0	0	0	115.5	R10	V8-R10 PolarHBondContact O-N 2.87Å
9	A	33.2	Very low	33.3	Very low	69 Å²	69	120.3 Å²	120.3	57%	0.57	62%	0.617	S	S	*	*			trans	-73.9	10.2	-170.9	0	0	0	0	0	117	I7	I7-A9 PolarHBondContact O-N 3.44Å
10	R	33.9	Very low	33.8	Very low	214 Å²	214	119.9 Å²	119.9	81%	0.808	62%	0.616	S	S	*	*	S	Bend	trans	-87.4	-17.8	-157.9	-77.3	-158.3	177.2	-160.1	0	119.5	V8	V8-R10 PolarHBondContact O-N 2.87Å
11	I	44.3	Very low	34.9	Very low	119 Å²	119	122 Å²	122	61%	0.61	63%	0.629	S	S	*	*			trans	-148.8	112.4	174.2	-49.8	177	0	0	0	111.1	L13	I11-L13 HydrophobicContact CG2-CB 4.21Å; I11-L13 HydrophobicContact CG2-CD1 4.44Å; I11-L13 HydrophobicContact CG2-CG 4.43Å; I11-L13 PolarHBondContact O-N 3.4Å
12	A	41.9	Very low	35.9	Very low	16 Å²	16	115 Å²	115	13%	0.132	62%	0.615	C	S	.	*			trans	-95.1	42.1	-177.1	0	0	0	0	0	113.3	N31 A34 Y139	A12-N31 HydrophobicContact CB-CB 4.25Å; A12-N31 WeakPolarHBondContact O-CB 3.41Å; A12-N31 PolarHBondContact O-N 3.07Å; A12-A34 HydrophobicContact CB-CB 3.39Å; A12-Y139 HydrophobicContact CB-CE2 3.91Å; A12-Y139 PolarHBondContact O-OH 2.81Å
13	L	39.8	Very low	36.5	Very low	35 Å²	35	114.6 Å²	114.6	18%	0.183	61%	0.608	C	S	.	*	E	Extended strand (participates in β ladder)	trans	-123.4	134.2	-177.6	-65.9	172.7	0	0	0	112.3	I11 F15 L28 P261	I11-L13 HydrophobicContact CG2-CB 4.21Å; I11-L13 HydrophobicContact CG2-CD1 4.44Å; I11-L13 HydrophobicContact CG2-CG 4.43Å; I11-L13 PolarHBondContact O-N 3.4Å; L13-F15 HydrophobicContact CB-CE2 3.93Å; L13-F15 HydrophobicContact CB-CZ 4.04Å; L13-F15 HydrophobicContact CD1-CE2 4.47Å; L13-F15 HydrophobicContact CD1-CZ 3.87Å; L13-L28 HydrophobicContact CD1-CD2 4.49Å; L13-L28 HydrophobicContact CD2-CD2 3.63Å; L13-P261 HydrophobicContact CD1-CB 4.41Å; L13-P261 HydrophobicContact CD1-CG 4.46Å
14	S	41.1	Very low	37.1	Very low	50 Å²	50	115.5 Å²	115.5	35%	0.35	60%	0.601	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-120	143.8	155.8	52	0	0	0	0	109.2	E29	S14-E29 PolarHBondContact N-O 3.46Å; S14-E29 PolarHBondContact O-N 3Å; S14-E29 VanDerWaalsContact O-N 3.15Å; S14-E29 PolarHBondContact OG-O 2.84Å
15	F	38.6	Very low	37.8	Very low	119 Å²	119	112.4 Å²	112.4	52%	0.522	59%	0.587	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-113.7	125.4	-176.5	-62.6	-86.9	0	0	0	109.8	L13 L28	L13-F15 HydrophobicContact CB-CE2 3.93Å; L13-F15 HydrophobicContact CB-CZ 4.04Å; L13-F15 HydrophobicContact CD1-CE2 4.47Å; L13-F15 HydrophobicContact CD1-CZ 3.87Å; F15-L28 HydrophobicContact CE1-CD2 3.97Å
16	S	41.6	Very low	38.6	Very low	39 Å²	39	111.8 Å²	111.8	27%	0.273	58%	0.583	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-120	140.9	169.1	75.8	0	0	0	0	109.8	K27 E29	S16-K27 PolarHBondContact O-N 3.41Å; S16-E29 PolarHBondContact OG-OE1 3.14Å
17	Y	38.5	Very low	39.5	Very low	100 Å²	100	110.6 Å²	110.6	39%	0.392	57%	0.572	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-129.9	123.6	-177.2	-176.6	-79.6	0	0	0	109.1	F19 K24	Y17-F19 HydrophobicContact CD1-CD2 4Å; Y17-F19 AromaticContact CD1-CE2 3.82Å; Y17-F19 HydrophobicContact CD1-CE2 3.82Å; Y17-F19 HydrophobicContact CD1-CZ 4.21Å; Y17-F19 AromaticContact CE1-CD1 3.73Å; Y17-F19 HydrophobicContact CE1-CD1 3.73Å; Y17-F19 AromaticContact CE1-CD2 3.5Å; Y17-F19 HydrophobicContact CE1-CD2 3.5Å; Y17-F19 AromaticContact CE1-CE1 3.54Å; Y17-F19 HydrophobicContact CE1-CE1 3.54Å; Y17-F19 AromaticContact CE1-CE2 3.3Å; Y17-F19 HydrophobicContact CE1-CE2 3.3Å; Y17-F19 AromaticContact CE1-CG 3.71Å; Y17-F19 HydrophobicContact CE1-CG 3.71Å; Y17-F19 AromaticContact CE1-CZ 3.31Å; Y17-F19 HydrophobicContact CE1-CZ 3.31Å; Y17-F19 AromaticContact CZ-CE1 3.85Å; Y17-F19 AromaticContact CZ-CZ 3.92Å; Y17-F19 VanDerWaalsContact OH-CE1 3.23Å; Y17-F19 WeakPolarHBondContact OH-CE1 3.4Å; Y17-K24 HydrophobicContact CE2-CB 4.43Å; Y17-K24 WeakPolarHBondContact OH-CD 3.45Å; Y17-K24 VanDerWaalsContact OH-CG 3.25Å; Y17-K24 WeakPolarHBondContact OH-CG 3.32Å
18	T	40.7	Very low	40.2	Very low	72 Å²	72	108.6 Å²	108.6	44%	0.442	56%	0.562	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-120.4	134	174.7	41.5	0	0	0	0	110.6
19	F	36.7	Very low	41.3	Very low	166 Å²	166	105.5 Å²	105.5	73%	0.728	54%	0.538	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-89.4	106.7	167.2	-68.2	-85.5	0	0	0	108.1	Y17	Y17-F19 HydrophobicContact CD1-CD2 4Å; Y17-F19 AromaticContact CD1-CE2 3.82Å; Y17-F19 HydrophobicContact CD1-CE2 3.82Å; Y17-F19 HydrophobicContact CD1-CZ 4.21Å; Y17-F19 AromaticContact CE1-CD1 3.73Å; Y17-F19 HydrophobicContact CE1-CD1 3.73Å; Y17-F19 AromaticContact CE1-CD2 3.5Å; Y17-F19 HydrophobicContact CE1-CD2 3.5Å; Y17-F19 AromaticContact CE1-CE1 3.54Å; Y17-F19 HydrophobicContact CE1-CE1 3.54Å; Y17-F19 AromaticContact CE1-CE2 3.3Å; Y17-F19 HydrophobicContact CE1-CE2 3.3Å; Y17-F19 AromaticContact CE1-CG 3.71Å; Y17-F19 HydrophobicContact CE1-CG 3.71Å; Y17-F19 AromaticContact CE1-CZ 3.31Å; Y17-F19 HydrophobicContact CE1-CZ 3.31Å; Y17-F19 AromaticContact CZ-CE1 3.85Å; Y17-F19 AromaticContact CZ-CZ 3.92Å; Y17-F19 VanDerWaalsContact OH-CE1 3.23Å; Y17-F19 WeakPolarHBondContact OH-CE1 3.4Å
20	D	44.3	Very low	42.2	Very low	112 Å²	112	103.9 Å²	103.9	60%	0.599	52%	0.52	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-120.2	124.7	166.1	-104.7	-23.5	0	0	0	108.7	G22 R23	D20-G22 VanDerWaalsContact C-N 3.26Å; D20-G22 PolarHBondContact O-N 2.74Å; D20-R23 PolarHBondContact O-N 3.38Å
21	D	56.5	Low	43.6	Very low	166 Å²	166	95.7 Å²	95.7	89%	0.888	49%	0.492	S	S	*	.	T	Hydrogen-bonded Turn	trans	45	41.8	166.2	-70.4	-18.4	0	0	0	116.4	R23	D21-R23 PolarHBondContact O-N 3.12Å; D21-R23 VanDerWaalsContact O-N 3.14Å
22	G	45.5	Very low	44.7	Very low	85 Å²	85	96.3 Å²	96.3	88%	0.876	49%	0.492	S	S	*	.	T	Hydrogen-bonded Turn	trans	72.4	0.8	177	0	0	0	0	0	115.1	D20	D20-G22 VanDerWaalsContact C-N 3.26Å; D20-G22 PolarHBondContact O-N 2.74Å
23	R	35.4	Very low	45.7	Very low	207 Å²	207	100.9 Å²	100.9	78%	0.781	52%	0.515	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-94.5	117.9	170.3	-68.6	-174	-170	-179.5	4.8	109.4	D20 D21 T25	D20-R23 PolarHBondContact O-N 3.38Å; D21-R23 PolarHBondContact O-N 3.12Å; D21-R23 VanDerWaalsContact O-N 3.14Å; R23-T25 PolarHBondContact O-N 2.94Å
24	K	38.6	Very low	46.5	Very low	154 Å²	154	100.2 Å²	100.2	67%	0.67	51%	0.514	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-80.2	117.5	173.4	-58	-170.2	176.3	-177.9	0	108.3	Y17	Y17-K24 HydrophobicContact CE2-CB 4.43Å; Y17-K24 WeakPolarHBondContact OH-CD 3.45Å; Y17-K24 VanDerWaalsContact OH-CG 3.25Å; Y17-K24 WeakPolarHBondContact OH-CG 3.32Å
25	T	35.8	Very low	47.6	Very low	74 Å²	74	99.4 Å²	99.4	45%	0.454	51%	0.505	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.2	115.7	176.4	-25.7	0	0	0	0	108.1	R23	R23-T25 PolarHBondContact O-N 2.94Å
26	I	42.2	Very low	49	Very low	119 Å²	119	99.7 Å²	99.7	61%	0.61	51%	0.506	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-84.6	118.8	169	-61.4	172.6	0	0	0	105.9
27	K	43.1	Very low	49.9	Very low	119 Å²	119	102.3 Å²	102.3	52%	0.517	51%	0.511	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.2	114.7	166.3	-81.5	-176.3	176.4	178.7	0	108.2	S16 E29	S16-K27 PolarHBondContact O-N 3.41Å; K27-E29 PolarHBondContact O-N 3.33Å
28	L	43.7	Very low	50.9	Low	97 Å²	97	98.9 Å²	98.9	51%	0.508	50%	0.497	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.7	106.8	160.5	-85.6	150.9	0	0	0	106.6	L13 F15	L13-L28 HydrophobicContact CD1-CD2 4.49Å; L13-L28 HydrophobicContact CD2-CD2 3.63Å; F15-L28 HydrophobicContact CE1-CD2 3.97Å
29	E	51.1	Low	52.1	Low	83 Å²	83	98 Å²	98	39%	0.388	49%	0.492	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.3	125.1	170.6	-75.1	173.2	-165.8	0	0	108.3	S14 S16 K27 N31	S14-E29 PolarHBondContact N-O 3.46Å; S14-E29 PolarHBondContact O-N 3Å; S14-E29 VanDerWaalsContact O-N 3.15Å; S14-E29 PolarHBondContact OG-O 2.84Å; S16-E29 PolarHBondContact OG-OE1 3.14Å; K27-E29 PolarHBondContact O-N 3.33Å; E29-N31 PolarHBondContact O-N 2.92Å
30	I	53.9	Low	53.4	Low	35 Å²	35	98.4 Å²	98.4	18%	0.179	49%	0.493	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.3	130.6	174.8	-56.3	175.8	0	0	0	107.2	E32 I35 K136 Y139 E140	I30-E32 PolarHBondContact O-N 3.4Å; I30-I35 HydrophobicContact CG2-CD1 3.78Å; I30-I35 HydrophobicContact CG2-CG1 3.38Å; I30-K136 HydrophobicContact CD1-CD 3.97Å; I30-K136 HydrophobicContact CD1-CG 3.59Å; I30-Y139 HydrophobicContact CD1-CD1 4.17Å; I30-Y139 HydrophobicContact CG1-CD1 4.19Å; I30-Y139 HydrophobicContact CG1-CE1 4.21Å; I30-Y139 HydrophobicContact CG2-CD1 4.09Å; I30-Y139 HydrophobicContact CG2-CE1 4.12Å; I30-E140 HydrophobicContact CD1-CG 3.9Å
31	N	62.2	Low	54.1	Low	43 Å²	43	96.3 Å²	96.3	23%	0.23	48%	0.482	C	S	.	.			trans	-62.8	105.8	175.3	-178.1	-20.8	0	0	0	109.1	A12 E29 N33 A34 I35	A12-N31 HydrophobicContact CB-CB 4.25Å; A12-N31 WeakPolarHBondContact O-CB 3.41Å; A12-N31 PolarHBondContact O-N 3.07Å; E29-N31 PolarHBondContact O-N 2.92Å; N31-N33 PolarHBondContact O-N 3.37Å; N31-N33 VanDerWaalsContact O-N 3.1Å; N31-N33 VanDerWaalsContact OD1-CB 3.3Å; N31-N33 WeakPolarHBondContact OD1-CB 3.46Å; N31-N33 PolarHBondContact OD1-N 2.94Å; N31-A34 HydrophobicContact CB-CB 4.18Å; N31-A34 WeakPolarHBondContact O-CB 3.31Å; N31-A34 PolarHBondContact O-N 3.21Å; N31-A34 PolarHBondContact OD1-N 3.33Å; N31-I35 PolarHBondContact O-N 3.39Å
32	E	67.6	Low	54.4	Low	132 Å²	132	88.6 Å²	88.6	62%	0.617	44%	0.441	S	S	*	.	H	α-helix	trans	-55.5	-30.5	-179.4	-68.8	-169.9	176.6	0	0	112.7	I30 A34 I35 K36	I30-E32 PolarHBondContact O-N 3.4Å; E32-A34 VanDerWaalsContact C-N 3.35Å; E32-I35 PolarHBondContact O-N 2.88Å; E32-K36 VanDerWaalsContact O-CB 3.32Å; E32-K36 WeakPolarHBondContact O-CB 3.41Å; E32-K36 WeakPolarHBondContact O-CG 3.49Å; E32-K36 PolarHBondContact O-N 3.48Å; E32-K36 IonicContact OE2-NZ 2.72Å; E32-K36 PolarHBondContact OE2-NZ 3.44Å
33	N	62	Low	55.2	Low	112 Å²	112	85.1 Å²	85.1	60%	0.599	40%	0.404	S	S	*	.	H	α-helix	trans	-70.4	-33.7	178.4	-64	-30.7	0	0	0	111.9	N31 Y37	N31-N33 PolarHBondContact O-N 3.37Å; N31-N33 VanDerWaalsContact O-N 3.1Å; N31-N33 VanDerWaalsContact OD1-CB 3.3Å; N31-N33 WeakPolarHBondContact OD1-CB 3.46Å; N31-N33 PolarHBondContact OD1-N 2.94Å; N33-Y37 VanDerWaalsContact O-CB 3.28Å; N33-Y37 WeakPolarHBondContact O-CB 3.03Å; N33-Y37 PolarHBondContact O-N 3.32Å
34	A	57.1	Low	56.7	Low	20 Å²	20	75.5 Å²	75.5	17%	0.165	37%	0.368	C	S	.	.	H	α-helix	trans	-67	-46.6	173.7	0	0	0	0	0	110.2	A12 N31 E32 K36 Y37 W38	A12-A34 HydrophobicContact CB-CB 3.39Å; N31-A34 HydrophobicContact CB-CB 4.18Å; N31-A34 WeakPolarHBondContact O-CB 3.31Å; N31-A34 PolarHBondContact O-N 3.21Å; N31-A34 PolarHBondContact OD1-N 3.33Å; E32-A34 VanDerWaalsContact C-N 3.35Å; A34-K36 PolarHBondContact O-N 3.18Å; A34-Y37 WeakPolarHBondContact O-CB 3.39Å; A34-Y37 PolarHBondContact O-N 2.73Å; A34-W38 WeakPolarHBondContact O-CB 2.69Å; A34-W38 PolarHBondContact O-N 2.96Å
35	I	63.9	Low	58.1	Low	34 Å²	34	69.9 Å²	69.9	17%	0.174	35%	0.348	C	S	.	.	H	α-helix	trans	-61.4	-46.4	175.2	-62.7	-63.5	0	0	0	111	I30 N31 E32 Y37 W38 T39	I30-I35 HydrophobicContact CG2-CD1 3.78Å; I30-I35 HydrophobicContact CG2-CG1 3.38Å; N31-I35 PolarHBondContact O-N 3.39Å; E32-I35 PolarHBondContact O-N 2.88Å; I35-Y37 VanDerWaalsContact C-N 3.31Å; I35-Y37 PolarHBondContact O-N 3.04Å; I35-W38 CarbonylContact O-C 3.53Å; I35-W38 WeakPolarHBondContact O-CB 3.28Å; I35-W38 PolarHBondContact O-N 3.12Å; I35-W38 VanDerWaalsContact O-N 3.08Å; I35-T39 WeakPolarHBondContact O-CB 3.25Å; I35-T39 PolarHBondContact O-N 2.81Å; I35-T39 PolarHBondContact O-OG1 3.38Å
36	K	68	Low	60	Low	125 Å²	125	70.5 Å²	70.5	54%	0.543	35%	0.348	S	S	.	.	H	α-helix	trans	-57.4	-43.2	175.3	-76	170.6	-173.1	164.2	0	112	E32 A34 K40	E32-K36 VanDerWaalsContact O-CB 3.32Å; E32-K36 WeakPolarHBondContact O-CB 3.41Å; E32-K36 WeakPolarHBondContact O-CG 3.49Å; E32-K36 PolarHBondContact O-N 3.48Å; E32-K36 IonicContact OE2-NZ 2.72Å; E32-K36 PolarHBondContact OE2-NZ 3.44Å; A34-K36 PolarHBondContact O-N 3.18Å; K36-K40 WeakPolarHBondContact O-CB 3.43Å; K36-K40 PolarHBondContact O-N 2.82Å
37	Y	60.6	Low	61.5	Low	93 Å²	93	66.3 Å²	66.3	37%	0.365	33%	0.327	S	S	.	.	H	α-helix	trans	-62.8	-44.1	174.9	179.3	-93.3	0	0	0	111.4	L5 N33 A34 I35 K40 N41	L5-Y37 HydrophobicContact CD2-CE2 3.83Å; N33-Y37 VanDerWaalsContact O-CB 3.28Å; N33-Y37 WeakPolarHBondContact O-CB 3.03Å; N33-Y37 PolarHBondContact O-N 3.32Å; A34-Y37 WeakPolarHBondContact O-CB 3.39Å; A34-Y37 PolarHBondContact O-N 2.73Å; I35-Y37 VanDerWaalsContact C-N 3.31Å; I35-Y37 PolarHBondContact O-N 3.04Å; Y37-K40 PolarHBondContact O-N 3.4Å; Y37-N41 WeakPolarHBondContact CD1-ND2 3.37Å; Y37-N41 WeakPolarHBondContact CE1-ND2 3.37Å; Y37-N41 VanDerWaalsContact CE2-ND2 3.28Å; Y37-N41 WeakPolarHBondContact CE2-ND2 3.21Å; Y37-N41 PolarHBondContact O-N 2.98Å; Y37-N41 PolarHBondContact O-ND2 2.94Å
38	W	60.7	Low	63.1	Low	28 Å²	28	65.1 Å²	65.1	11%	0.106	33%	0.333	C	S	.	.	H	α-helix	trans	-62.5	-52.9	178	-78.1	39.5	0	0	0	111.1	A34 I35 K40 N41 L42 P155 P156 M157	A34-W38 WeakPolarHBondContact O-CB 2.69Å; A34-W38 PolarHBondContact O-N 2.96Å; I35-W38 CarbonylContact O-C 3.53Å; I35-W38 WeakPolarHBondContact O-CB 3.28Å; I35-W38 PolarHBondContact O-N 3.12Å; I35-W38 VanDerWaalsContact O-N 3.08Å; W38-K40 PolarHBondContact O-N 3.32Å; W38-N41 CarbonylContact O-C 3.57Å; W38-N41 PolarHBondContact O-N 3.48Å; W38-L42 WeakPolarHBondContact O-CB 3.37Å; W38-L42 WeakPolarHBondContact O-CD1 3.08Å; W38-L42 PolarHBondContact O-N 3.16Å; W38-P155 HydrophobicContact CH2-CB 3.27Å; W38-P155 HydrophobicContact CH2-CG 4.48Å; W38-P155 HydrophobicContact CZ2-CB 3.67Å; W38-P155 HydrophobicContact CZ3-CB 4.39Å; W38-P156 WeakPolarHBondContact CH2-O 3.43Å; W38-P156 WeakPolarHBondContact CZ3-O 3.38Å; W38-M157 HydrophobicContact CH2-CG 4.44Å; W38-M157 HydrophobicContact CZ2-CG 4.06Å
39	T	65.4	Low	64.7	Low	53 Å²	53	66.9 Å²	66.9	33%	0.325	34%	0.343	S	S	.	.	H	α-helix	trans	-58.6	-35.7	177	-52.6	0	0	0	0	111.8	I35 K132	I35-T39 WeakPolarHBondContact O-CB 3.25Å; I35-T39 PolarHBondContact O-N 2.81Å; I35-T39 PolarHBondContact O-OG1 3.38Å; T39-K132 HydrophobicContact CG2-CB 4.48Å
40	K	64.8	Low	66	Low	175 Å²	175	63.9 Å²	63.9	76%	0.761	33%	0.331	S	S	*	.	H	α-helix	trans	-67.2	-34	174.8	-175.5	176	-179.6	176.6	0	112.9	K36 Y37 W38	K36-K40 WeakPolarHBondContact O-CB 3.43Å; K36-K40 PolarHBondContact O-N 2.82Å; Y37-K40 PolarHBondContact O-N 3.4Å; W38-K40 PolarHBondContact O-N 3.32Å
41	N	58	Low	67.3	Low	68 Å²	68	71.1 Å²	71.1	36%	0.364	36%	0.364	S	S	.	.	H	α-helix	trans	-92.4	-17.3	179.4	-69.3	-69	0	0	0	113.7	Y37 W38 A43	Y37-N41 WeakPolarHBondContact CD1-ND2 3.37Å; Y37-N41 WeakPolarHBondContact CE1-ND2 3.37Å; Y37-N41 VanDerWaalsContact CE2-ND2 3.28Å; Y37-N41 WeakPolarHBondContact CE2-ND2 3.21Å; Y37-N41 PolarHBondContact O-N 2.98Å; Y37-N41 PolarHBondContact O-ND2 2.94Å; W38-N41 CarbonylContact O-C 3.57Å; W38-N41 PolarHBondContact O-N 3.48Å; N41-A43 PolarHBondContact O-N 2.74Å
42	L	62.8	Low	68.3	Low	4 Å²	4	72.7 Å²	72.7	2%	0.021	37%	0.372	C	S	.	.	S	Bend	trans	-68.1	83.4	160.9	-87	139.9	0	0	0	107	W38 I131 K132 A135 F158	W38-L42 WeakPolarHBondContact O-CB 3.37Å; W38-L42 WeakPolarHBondContact O-CD1 3.08Å; W38-L42 PolarHBondContact O-N 3.16Å; L42-I131 HydrophobicContact CD2-CG1 4.3Å; L42-I131 HydrophobicContact CD2-CG2 3.83Å; L42-K132 HydrophobicContact CB-CG 3.76Å; L42-K132 WeakPolarHBondContact O-CE 3.45Å; L42-K132 PolarHBondContact O-NZ 2.97Å; L42-A135 HydrophobicContact CD1-CB 3.83Å; L42-F158 HydrophobicContact CD2-CB 3.38Å; L42-F158 HydrophobicContact CD2-CD2 4.26Å; L42-F158 HydrophobicContact CD2-CG 3.89Å; L42-F158 HydrophobicContact CG-CB 3.81Å
43	A	61.5	Low	69.1	Low	12 Å²	12	71.7 Å²	71.7	10%	0.099	37%	0.368	C	S	.	.	S	Bend	trans	-81.7	166.7	-179.3	0	0	0	0	0	111.4	N41 Y63 Q160	N41-A43 PolarHBondContact O-N 2.74Å; A43-Y63 HydrophobicContact CB-CE1 3.49Å; A43-Y63 VanDerWaalsContact CB-CE1 3.49Å; A43-Y63 HydrophobicContact CB-CE2 4.32Å; A43-Y63 WeakPolarHBondContact CB-OH 3.24Å; A43-Q160 PolarHBondContact O-OE1 3.33Å
44	P	68.2	Low	70	Confident	6 Å²	6	73.9 Å²	73.9	4%	0.039	37%	0.374	C	S	.	.	S	Bend	cis	-69.5	149.4	8.6	24.5	-33.6	0	0	0	114	Y63 M104 R106 K132 Q160	P44-Y63 HydrophobicContact CB-CD1 3.86Å; P44-Y63 HydrophobicContact CB-CD2 3.65Å; P44-Y63 HydrophobicContact CB-CE1 4.26Å; P44-Y63 HydrophobicContact CB-CE2 4.11Å; P44-Y63 HydrophobicContact CB-CG 3.58Å; P44-Y63 HydrophobicContact CG-CD1 4.49Å; P44-Y63 HydrophobicContact CG-CG 4.46Å; P44-M104 HydrophobicContact CB-SD 4.09Å; P44-R106 HydrophobicContact CG-CG 3.92Å; P44-K132 PolarHBondContact O-NZ 3.31Å; P44-Q160 VanDerWaalsContact CD-OE1 3.26Å
45	P	68.5	Low	71.1	Confident	36 Å²	36	78.4 Å²	78.4	23%	0.234	39%	0.39	C	S	.	.	P	Polyproline II helix	trans	-60.1	154.1	165.9	28.7	-33	0	0	0	110.1	L47 V50 F59	P45-L47 PolarHBondContact O-N 3.23Å; P45-V50 HydrophobicContact CB-CG2 4.35Å; P45-V50 HydrophobicContact CG-CG2 4.41Å; P45-F59 HydrophobicContact CG-CB 4.22Å; P45-F59 HydrophobicContact CG-CD1 3.92Å; P45-F59 HydrophobicContact CG-CD2 3.65Å; P45-F59 HydrophobicContact CG-CE1 4.11Å; P45-F59 HydrophobicContact CG-CE2 3.88Å; P45-F59 HydrophobicContact CG-CG 3.67Å; P45-F59 HydrophobicContact CG-CZ 4.09Å
46	D	74.2	Confident	72	Confident	87 Å²	87	79 Å²	79	47%	0.465	39%	0.392	S	S	.	.	P	Polyproline II helix	trans	-68	117.4	166	-164.5	-35.7	0	0	0	107.5	S48 D49	D46-S48 PolarHBondContact O-N 2.94Å; D46-S48 VanDerWaalsContact O-N 3.12Å; D46-S48 WeakPolarHBondContact OD1-CB 3.09Å; D46-S48 PolarHBondContact OD1-N 3.38Å; D46-S48 PolarHBondContact OD1-OG 3.41Å; D46-D49 WeakPolarHBondContact O-CB 3.38Å; D46-D49 PolarHBondContact O-N 2.03Å
47	L	74	Confident	72.7	Confident	31 Å²	31	79 Å²	79	16%	0.162	39%	0.394	C	S	.	.	G	3₁₀ helix	trans	-61.9	-20.7	-178.2	-69.9	175.4	0	0	0	112.1	P45 D49 V50 K56 F59 E60 M104	P45-L47 PolarHBondContact O-N 3.23Å; L47-D49 PolarHBondContact O-N 3.03Å; L47-V50 PolarHBondContact O-N 3.12Å; L47-K56 HydrophobicContact CD2-CB 4.38Å; L47-K56 HydrophobicContact CD2-CG 4.42Å; L47-F59 HydrophobicContact CD2-CB 3.94Å; L47-E60 HydrophobicContact CD1-CG 3.54Å; L47-E60 HydrophobicContact CD2-CG 4.28Å; L47-M104 HydrophobicContact CD1-CE 3.32Å; L47-M104 HydrophobicContact CD1-SD 3.65Å; L47-M104 HydrophobicContact CD2-CE 4.4Å; L47-M104 HydrophobicContact CD2-SD 4.05Å; L47-M104 HydrophobicContact CG-CE 3.49Å; L47-M104 VanDerWaalsContact CG-CE 3.49Å; L47-M104 HydrophobicContact CG-SD 3.78Å
48	S	77.9	Confident	73.8	Confident	94 Å²	94	80.7 Å²	80.7	66%	0.657	40%	0.4	S	S	*	.	G	3₁₀ helix	trans	-67.2	-23.1	173.5	64.2	0	0	0	0	113.2	D46	D46-S48 PolarHBondContact O-N 2.94Å; D46-S48 VanDerWaalsContact O-N 3.12Å; D46-S48 WeakPolarHBondContact OD1-CB 3.09Å; D46-S48 PolarHBondContact OD1-N 3.38Å; D46-S48 PolarHBondContact OD1-OG 3.41Å
49	D	76.4	Confident	74.8	Confident	134 Å²	134	81.5 Å²	81.5	72%	0.717	41%	0.405	S	S	*	.	G	3₁₀ helix	trans	-87.8	-8.2	177.4	-67.6	-29.4	0	0	0	113.4	D46 L47	D46-D49 WeakPolarHBondContact O-CB 3.38Å; D46-D49 PolarHBondContact O-N 2.03Å; L47-D49 PolarHBondContact O-N 3.03Å
50	V	77.6	Confident	75.7	Confident	20 Å²	20	83.2 Å²	83.2	12%	0.121	41%	0.409	C	S	.	.			trans	-95.6	110.4	-179	-176.2	0	0	0	0	107.9	P45 L47 F55 K56 F59	P45-V50 HydrophobicContact CB-CG2 4.35Å; P45-V50 HydrophobicContact CG-CG2 4.41Å; L47-V50 PolarHBondContact O-N 3.12Å; V50-F55 HydrophobicContact CG1-CB 3.75Å; V50-K56 HydrophobicContact CB-CG 3.87Å; V50-K56 HydrophobicContact CG1-CG 3.8Å; V50-K56 WeakPolarHBondContact O-CE 3.33Å; V50-F59 HydrophobicContact CG1-CD2 4.24Å; V50-F59 HydrophobicContact CG1-CE2 4.17Å; V50-F59 HydrophobicContact CG2-CD2 3.9Å; V50-F59 HydrophobicContact CG2-CE2 3.88Å
51	E	82.9	Confident	76.5	Confident	186 Å²	186	81 Å²	81	87%	0.869	40%	0.401	S	S	*	.			trans	-77.7	-32.1	-178.8	-66.2	-176	167.5	0	0	113
52	D	82.2	Confident	77.7	Confident	77 Å²	77	78.7 Å²	78.7	41%	0.412	39%	0.388	S	S	.	.			trans	-82.9	120.7	-175.3	-174.8	-57.9	0	0	0	111.3	E54 F55 K56	D52-E54 VanDerWaalsContact C-N 3.34Å; D52-E54 PolarHBondContact O-N 2.74Å; D52-E54 WeakPolarHBondContact OD1-CA 3.42Å; D52-E54 WeakPolarHBondContact OD1-CB 3.03Å; D52-E54 PolarHBondContact OD1-N 2.8Å; D52-F55 HydrophobicContact CB-CB 4.19Å; D52-F55 HydrophobicContact CB-CD2 3.76Å; D52-F55 HydrophobicContact CB-CG 4.47Å; D52-F55 PolarHBondContact O-N 3.15Å; D52-F55 PolarHBondContact OD1-N 2.88Å; D52-F55 VanDerWaalsContact OD1-N 3.11Å; D52-K56 PolarHBondContact O-N 2.74Å
53	E	84.4	Confident	78.8	Confident	111 Å²	111	79.5 Å²	79.5	52%	0.519	39%	0.391	S	S	.	.	H	α-helix	trans	-66.2	-31.2	-176.6	-69.1	-61.6	146.5	0	0	113.6	K56 Q57	E53-K56 PolarHBondContact O-N 3Å; E53-K56 IonicContact OE1-NZ 2.9Å; E53-K56 PolarHBondContact OE1-NZ 2.79Å; E53-Q57 WeakPolarHBondContact O-CG 2.93Å; E53-Q57 PolarHBondContact O-N 3.31Å
54	E	81.6	Confident	80	Confident	157 Å²	157	79.8 Å²	79.8	73%	0.734	39%	0.393	S	S	*	.	H	α-helix	trans	-68.7	-40.3	175.6	-169.5	178.8	174.5	0	0	109.9	D52 Q57 Y58	D52-E54 VanDerWaalsContact C-N 3.34Å; D52-E54 PolarHBondContact O-N 2.74Å; D52-E54 WeakPolarHBondContact OD1-CA 3.42Å; D52-E54 WeakPolarHBondContact OD1-CB 3.03Å; D52-E54 PolarHBondContact OD1-N 2.8Å; E54-Q57 PolarHBondContact O-N 2.68Å; E54-Y58 WeakPolarHBondContact O-CB 3.03Å; E54-Y58 PolarHBondContact O-N 2.04Å
55	F	79	Confident	80.9	Confident	116 Å²	116	83 Å²	83	51%	0.509	41%	0.407	S	S	.	.	H	α-helix	trans	-67.6	-36.6	173.2	-80.9	-73.5	0	0	0	113	V50 D52 Y58 F59	V50-F55 HydrophobicContact CG1-CB 3.75Å; D52-F55 HydrophobicContact CB-CB 4.19Å; D52-F55 HydrophobicContact CB-CD2 3.76Å; D52-F55 HydrophobicContact CB-CG 4.47Å; D52-F55 PolarHBondContact O-N 3.15Å; D52-F55 PolarHBondContact OD1-N 2.88Å; D52-F55 VanDerWaalsContact OD1-N 3.11Å; F55-Y58 WeakPolarHBondContact O-CB 3.46Å; F55-Y58 PolarHBondContact O-N 3.06Å; F55-F59 HydrophobicContact CB-CE2 4.25Å; F55-F59 WeakPolarHBondContact O-CD2 2.96Å; F55-F59 WeakPolarHBondContact O-CG 3.42Å; F55-F59 PolarHBondContact O-N 3.18Å
56	K	83.5	Confident	81.9	Confident	47 Å²	47	81.9 Å²	81.9	20%	0.204	40%	0.4	C	S	.	.	H	α-helix	trans	-58.7	-51.1	173	-75	-175.5	-167.4	168.1	0	111.2	L47 V50 D52 E53 Y58 F59 E60	L47-K56 HydrophobicContact CD2-CB 4.38Å; L47-K56 HydrophobicContact CD2-CG 4.42Å; V50-K56 HydrophobicContact CB-CG 3.87Å; V50-K56 HydrophobicContact CG1-CG 3.8Å; V50-K56 WeakPolarHBondContact O-CE 3.33Å; D52-K56 PolarHBondContact O-N 2.74Å; E53-K56 PolarHBondContact O-N 3Å; E53-K56 IonicContact OE1-NZ 2.9Å; E53-K56 PolarHBondContact OE1-NZ 2.79Å; K56-Y58 VanDerWaalsContact C-N 3.3Å; K56-Y58 PolarHBondContact O-N 3.1Å; K56-F59 PolarHBondContact O-N 2.76Å; K56-F59 VanDerWaalsContact O-N 3.14Å; K56-E60 WeakPolarHBondContact O-CG 3.28Å; K56-E60 PolarHBondContact O-N 2.93Å
57	Q	82.9	Confident	82.5	Confident	125 Å²	125	81.9 Å²	81.9	58%	0.584	40%	0.4	S	S	*	.	H	α-helix	trans	-61.1	-40.3	178.6	-71.7	178.8	8.9	0	0	111.9	E53 E54 E60 H61	E53-Q57 WeakPolarHBondContact O-CG 2.93Å; E53-Q57 PolarHBondContact O-N 3.31Å; E54-Q57 PolarHBondContact O-N 2.68Å; Q57-E60 PolarHBondContact O-N 2.84Å; Q57-H61 WeakPolarHBondContact O-CB 3.22Å; Q57-H61 PolarHBondContact O-N 2.66Å
58	Y	82.7	Confident	82.9	Confident	127 Å²	127	84.9 Å²	84.9	50%	0.498	41%	0.409	S	S	.	.	H	α-helix	trans	-57.8	-48.9	173.4	169.8	-95.7	0	0	0	111.6	E54 F55 K56 H61 Q62	E54-Y58 WeakPolarHBondContact O-CB 3.03Å; E54-Y58 PolarHBondContact O-N 2.04Å; F55-Y58 WeakPolarHBondContact O-CB 3.46Å; F55-Y58 PolarHBondContact O-N 3.06Å; K56-Y58 VanDerWaalsContact C-N 3.3Å; K56-Y58 PolarHBondContact O-N 3.1Å; Y58-H61 PolarHBondContact O-N 3.24Å; Y58-Q62 VanDerWaalsContact O-CB 3.31Å; Y58-Q62 WeakPolarHBondContact O-CB 3.24Å; Y58-Q62 PolarHBondContact O-N 2.85Å
59	F	82.8	Confident	82.9	Confident	46 Å²	46	81.8 Å²	81.8	20%	0.202	39%	0.386	C	S	.	.	H	α-helix	trans	-66.5	-43.7	179.2	-69.2	-48.6	0	0	0	112.1	P45 L47 V50 F55 K56 H61 Q62 Y63	P45-F59 HydrophobicContact CG-CB 4.22Å; P45-F59 HydrophobicContact CG-CD1 3.92Å; P45-F59 HydrophobicContact CG-CD2 3.65Å; P45-F59 HydrophobicContact CG-CE1 4.11Å; P45-F59 HydrophobicContact CG-CE2 3.88Å; P45-F59 HydrophobicContact CG-CG 3.67Å; P45-F59 HydrophobicContact CG-CZ 4.09Å; L47-F59 HydrophobicContact CD2-CB 3.94Å; V50-F59 HydrophobicContact CG1-CD2 4.24Å; V50-F59 HydrophobicContact CG1-CE2 4.17Å; V50-F59 HydrophobicContact CG2-CD2 3.9Å; V50-F59 HydrophobicContact CG2-CE2 3.88Å; F55-F59 HydrophobicContact CB-CE2 4.25Å; F55-F59 WeakPolarHBondContact O-CD2 2.96Å; F55-F59 WeakPolarHBondContact O-CG 3.42Å; F55-F59 PolarHBondContact O-N 3.18Å; K56-F59 PolarHBondContact O-N 2.76Å; K56-F59 VanDerWaalsContact O-N 3.14Å; F59-H61 VanDerWaalsContact C-N 3.29Å; F59-H61 PolarHBondContact O-N 2.63Å; F59-Q62 PolarHBondContact O-N 3.08Å; F59-Q62 VanDerWaalsContact O-N 3.16Å; F59-Y63 HydrophobicContact CB-CD2 4.13Å; F59-Y63 HydrophobicContact CB-CE2 4.24Å; F59-Y63 HydrophobicContact CD1-CD2 4.44Å; F59-Y63 AromaticContact CD1-CE2 3.72Å; F59-Y63 HydrophobicContact CD1-CE2 3.72Å; F59-Y63 HydrophobicContact CG-CE2 4.36Å; F59-Y63 WeakPolarHBondContact O-CD2 3.32Å; F59-Y63 PolarHBondContact O-N 2.86Å
60	E	84	Confident	82.6	Confident	88 Å²	88	82.6 Å²	82.6	41%	0.411	39%	0.385	S	S	.	.	H	α-helix	trans	-53.4	-48.2	174.8	-75.7	177.6	160.4	0	0	111.3	L47 K56 Q57 A64 M104	L47-E60 HydrophobicContact CD1-CG 3.54Å; L47-E60 HydrophobicContact CD2-CG 4.28Å; K56-E60 WeakPolarHBondContact O-CG 3.28Å; K56-E60 PolarHBondContact O-N 2.93Å; Q57-E60 PolarHBondContact O-N 2.84Å; E60-A64 WeakPolarHBondContact O-CB 3.13Å; E60-A64 PolarHBondContact O-N 3.1Å; E60-M104 HydrophobicContact CG-CG 4.4Å
61	H	82	Confident	82	Confident	128 Å²	128	89.1 Å²	89.1	59%	0.593	41%	0.414	S	S	*	.	H	α-helix	trans	-63.8	-43.9	177.5	-173.6	67.7	0	0	0	112.6	Q57 Y58 F59 Y63	Q57-H61 WeakPolarHBondContact O-CB 3.22Å; Q57-H61 PolarHBondContact O-N 2.66Å; Y58-H61 PolarHBondContact O-N 3.24Å; F59-H61 VanDerWaalsContact C-N 3.29Å; F59-H61 PolarHBondContact O-N 2.63Å; H61-Y63 VanDerWaalsContact C-N 3.31Å; H61-Y63 PolarHBondContact O-N 3.2Å
62	Q	81.8	Confident	81.1	Confident	20 Å²	20	85.7 Å²	85.7	9%	0.093	40%	0.397	C	S	.	.	H	α-helix	trans	-66.1	-33.5	-176.5	-166.4	60.6	20.8	0	0	113	Y58 F59 D162	Y58-Q62 VanDerWaalsContact O-CB 3.31Å; Y58-Q62 WeakPolarHBondContact O-CB 3.24Å; Y58-Q62 PolarHBondContact O-N 2.85Å; F59-Q62 PolarHBondContact O-N 3.08Å; F59-Q62 VanDerWaalsContact O-N 3.16Å; Q62-D162 VanDerWaalsContact NE2-CG 3.26Å; Q62-D162 PolarHBondContact NE2-OD1 3.31Å; Q62-D162 PolarHBondContact NE2-OD2 3.15Å
63	Y	86.2	Confident	80.2	Confident	22 Å²	22	83 Å²	83	9%	0.086	38%	0.383	C	S	.	.	H	α-helix	trans	-102	-7.8	-176.2	-64.7	-73.2	0	0	0	113.9	A43 P44 F59 H61 K105 Q160	A43-Y63 HydrophobicContact CB-CE1 3.49Å; A43-Y63 VanDerWaalsContact CB-CE1 3.49Å; A43-Y63 HydrophobicContact CB-CE2 4.32Å; A43-Y63 WeakPolarHBondContact CB-OH 3.24Å; P44-Y63 HydrophobicContact CB-CD1 3.86Å; P44-Y63 HydrophobicContact CB-CD2 3.65Å; P44-Y63 HydrophobicContact CB-CE1 4.26Å; P44-Y63 HydrophobicContact CB-CE2 4.11Å; P44-Y63 HydrophobicContact CB-CG 3.58Å; P44-Y63 HydrophobicContact CG-CD1 4.49Å; P44-Y63 HydrophobicContact CG-CG 4.46Å; F59-Y63 HydrophobicContact CB-CD2 4.13Å; F59-Y63 HydrophobicContact CB-CE2 4.24Å; F59-Y63 HydrophobicContact CD1-CD2 4.44Å; F59-Y63 AromaticContact CD1-CE2 3.72Å; F59-Y63 HydrophobicContact CD1-CE2 3.72Å; F59-Y63 HydrophobicContact CG-CE2 4.36Å; F59-Y63 WeakPolarHBondContact O-CD2 3.32Å; F59-Y63 PolarHBondContact O-N 2.86Å; H61-Y63 VanDerWaalsContact C-N 3.31Å; H61-Y63 PolarHBondContact O-N 3.2Å; Y63-K105 VanDerWaalsContact O-CB 3.3Å; Y63-K105 WeakPolarHBondContact O-CB 3.16Å; Y63-K105 WeakPolarHBondContact O-CG 3.38Å; Y63-K105 PolarHBondContact O-N 2.85Å; Y63-Q160 HydrophobicContact CD1-CB 4.25Å; Y63-Q160 HydrophobicContact CD1-CG 3.85Å; Y63-Q160 HydrophobicContact CE1-CB 3.91Å; Y63-Q160 HydrophobicContact CE1-CG 4.01Å; Y63-Q160 WeakPolarHBondContact CE1-O 3.47Å
64	A	87.8	Confident	79	Confident	18 Å²	18	81.8 Å²	81.8	15%	0.149	39%	0.385	C	S	.	.	H	α-helix	trans	-80.7	-13.6	178.5	0	0	0	0	0	114.6	E60 G102 K103 K105	E60-A64 WeakPolarHBondContact O-CB 3.13Å; E60-A64 PolarHBondContact O-N 3.1Å; A64-G102 WeakPolarHBondContact CB-O 3.24Å; A64-K103 WeakPolarHBondContact CA-O 3.02Å; A64-K105 VanDerWaalsContact O-CE 3.28Å; A64-K105 WeakPolarHBondContact O-CE 3.49Å
65	Q	87.1	Confident	78.3	Confident	72 Å²	72	76.1 Å²	76.1	34%	0.336	36%	0.36	S	S	.	.			trans	-66.9	137.5	-176.4	-62.9	-177.4	23.9	0	0	112.1	G163	Q65-G163 WeakPolarHBondContact O-CA 3.26Å
66	C	89.3	Confident	78.2	Confident	13 Å²	13	70.9 Å²	70.9	9%	0.088	34%	0.339	C	S	.	.			trans	-150.4	162.9	166	59.5	0	0	0	0	110.8	C92 C94 F99 K105	C66-C92 CarbonylContact C-O 3.57Å; C66-C92 WeakPolarHBondContact CA-O 3.12Å; C66-C92 HydrophobicContact CB-CB 3.9Å; C66-C92 WeakPolarHBondContact CB-O 3.36Å; C66-C92 VanDerWaalsContact CB-SG 3.53Å; C66-C94 HydrophobicContact CB-CB 3.97Å; C66-C94 WeakPolarHBondContact CB-SG 3.3Å; C66-C94 WeakPolarHBondContact SG-CB 3.44Å; C66-C94 CovalentContact SG-SG 2.04Å; C66-C94 PolarHBondContact SG-SG 2.7Å; C66-F99 VanDerWaalsContact O-CD2 3.25Å; C66-F99 WeakPolarHBondContact O-CD2 3.33Å; C66-F99 VanDerWaalsContact O-CE2 3.28Å; C66-F99 WeakPolarHBondContact O-CE2 3.32Å; C66-K105 HydrophobicContact CB-CG 4.4Å; C66-K105 VanDerWaalsContact SG-CE 3.58Å
67	I	87	Confident	78.1	Confident	88 Å²	88	68.9 Å²	68.9	45%	0.451	33%	0.331	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.1	125.3	178.8	-56.2	-172.7	0	0	0	108.2	P91 C92 L93 C94	I67-P91 HydrophobicContact CD1-CB 3.52Å; I67-P91 HydrophobicContact CD1-CG 4.34Å; I67-P91 HydrophobicContact CG1-CB 4.21Å; I67-C92 PolarHBondContact N-O 2.72Å; I67-L93 HydrophobicContact CB-CD2 4.18Å; I67-L93 HydrophobicContact CG2-CD2 4.49Å; I67-L93 WeakPolarHBondContact O-CA 3.34Å; I67-C94 PolarHBondContact O-N 2.95Å
68	Y	82.5	Confident	78.1	Confident	93 Å²	93	65.4 Å²	65.4	37%	0.365	31%	0.314	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.3	123.5	167.5	178.3	-119.2	0	0	0	109	E70 K96	Y68-E70 HydrophobicContact CD1-CG 4.08Å; Y68-E70 HydrophobicContact CE1-CG 3.26Å; Y68-K96 HydrophobicContact CE2-CB 3.99Å
69	D	78.2	Confident	78	Confident	29 Å²	29	59.7 Å²	59.7	16%	0.155	29%	0.292	C	S	.	.			trans	-120.3	113.2	177.1	-165.6	-10.4	0	0	0	109.9	E71 K78 L93	D69-E71 VanDerWaalsContact C-N 3.31Å; D69-E71 PolarHBondContact OD1-N 3.4Å; D69-K78 WeakPolarHBondContact OD2-CE 3.4Å; D69-K78 IonicContact OD2-NZ 3.23Å; D69-K78 PolarHBondContact OD2-NZ 2.92Å; D69-L93 HydrophobicContact CB-CD2 4.21Å
70	E	69	Low	78.2	Confident	151 Å²	151	60 Å²	60	71%	0.706	30%	0.296	S	S	*	.			trans	-72.3	-28.6	176.2	-70.1	-170	175	0	0	111.6	Y68 K72	Y68-E70 HydrophobicContact CD1-CG 4.08Å; Y68-E70 HydrophobicContact CE1-CG 3.26Å; E70-K72 VanDerWaalsContact C-N 3.26Å; E70-K72 PolarHBondContact O-N 3.39Å
71	E	66	Low	78.3	Confident	158 Å²	158	57.9 Å²	57.9	74%	0.738	28%	0.284	S	S	*	.			trans	-79	79.5	-177.4	-68.6	-172.9	176.3	0	0	109.8	D69 S73	D69-E71 VanDerWaalsContact C-N 3.31Å; D69-E71 PolarHBondContact OD1-N 3.4Å; E71-S73 PolarHBondContact O-N 3.25Å
72	K	62.8	Low	78.5	Confident	114 Å²	114	52.3 Å²	52.3	50%	0.496	26%	0.258	S	S	.	.			trans	-62.7	104.7	167.6	-49.5	-138.3	179.2	-179.7	0	110.9	E70 P74 W191	E70-K72 VanDerWaalsContact C-N 3.26Å; E70-K72 PolarHBondContact O-N 3.39Å; K72-P74 WeakPolarHBondContact O-CD 3.4Å; K72-P74 VanDerWaalsContact O-N 3.1Å; K72-W191 VanDerWaalsContact CA-CZ3 3.44Å; K72-W191 HydrophobicContact CB-CH2 3.54Å; K72-W191 HydrophobicContact CB-CZ2 4.01Å; K72-W191 HydrophobicContact CB-CZ3 3.99Å; K72-W191 HydrophobicContact CD-CH2 3.81Å; K72-W191 HydrophobicContact CD-CZ2 3.31Å; K72-W191 HydrophobicContact CG-CH2 3.33Å; K72-W191 HydrophobicContact CG-CZ2 3.31Å; K72-W191 HydrophobicContact CG-CZ3 4.24Å
73	S	62.7	Low	78.4	Confident	19 Å²	19	53.3 Å²	53.3	13%	0.133	26%	0.261	C	S	.	.			trans	-44.6	120.5	153.6	176.6	0	0	0	0	105.9	E71 D75 G76 V77	E71-S73 PolarHBondContact O-N 3.25Å; S73-D75 PolarHBondContact O-N 2.53Å; S73-G76 PolarHBondContact O-N 2.91Å; S73-V77 PolarHBondContact OG-O 3.17Å
74	P	60.3	Low	78.1	Confident	86 Å²	86	52.2 Å²	52.2	56%	0.558	26%	0.257	S	S	*	.	T	Hydrogen-bonded Turn	trans	-52.1	-27.5	-177	-31.8	39.5	0	0	0	113.3	K72 E445	K72-P74 WeakPolarHBondContact O-CD 3.4Å; K72-P74 VanDerWaalsContact O-N 3.1Å; P74-E445 HydrophobicContact CG-CG 4.04Å; P74-E445 WeakPolarHBondContact CG-OE1 3.1Å
75	D	66.5	Low	77.4	Confident	38 Å²	38	53 Å²	53	20%	0.203	26%	0.256	C	S	.	.	T	Hydrogen-bonded Turn	trans	-99.3	1.4	-178.3	-50.9	-30.7	0	0	0	112.6	S73 V77 W122 G444 K448	S73-D75 PolarHBondContact O-N 2.53Å; D75-V77 PolarHBondContact O-N 3.25Å; D75-W122 VanDerWaalsContact O-CH2 3.28Å; D75-W122 WeakPolarHBondContact O-CH2 3.2Å; D75-W122 WeakPolarHBondContact O-CZ2 2.97Å; D75-G444 PolarHBondContact OD2-N 2.86Å; D75-K448 WeakPolarHBondContact OD2-CE 3.45Å
76	G	77.5	Confident	77	Confident	7 Å²	7	57.3 Å²	57.3	7%	0.072	27%	0.27	C	S	.	.	S	Bend	trans	69.9	-5.7	-178.3	0	0	0	0	0	115.4	S73 W191 A192	S73-G76 PolarHBondContact O-N 2.91Å; G76-W191 CarbonylContact O-C 3.57Å; G76-W191 WeakPolarHBondContact O-CA 3.46Å; G76-A192 PolarHBondContact O-N 2.79Å
77	V	80.5	Confident	76.9	Confident	5 Å²	5	59.1 Å²	59.1	3%	0.03	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.6	135.3	-178.1	-176.2	0	0	0	0	111.4	S73 D75 W122 A192 L194	S73-V77 PolarHBondContact OG-O 3.17Å; D75-V77 PolarHBondContact O-N 3.25Å; V77-W122 HydrophobicContact CG2-CB 4.41Å; V77-W122 HydrophobicContact CG2-CD2 3.59Å; V77-W122 HydrophobicContact CG2-CE3 4.17Å; V77-W122 HydrophobicContact CG2-CG 3.62Å; V77-W122 HydrophobicContact CG2-CZ2 4.44Å; V77-A192 CarbonylContact C-O 3.56Å; V77-A192 VanDerWaalsContact CA-O 3.3Å; V77-A192 WeakPolarHBondContact CA-O 3.35Å; V77-L194 HydrophobicContact CG1-CB 3.91Å
78	K	82.8	Confident	77	Confident	52 Å²	52	55.5 Å²	55.5	23%	0.226	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.7	133.1	170.3	-68.7	-164.7	177.6	-162.9	0	110.9	D69 L93 A192 Y193 L194	D69-K78 WeakPolarHBondContact OD2-CE 3.4Å; D69-K78 IonicContact OD2-NZ 3.23Å; D69-K78 PolarHBondContact OD2-NZ 2.92Å; K78-L93 HydrophobicContact CD-CD1 3.9Å; K78-A192 PolarHBondContact N-O 2.74Å; K78-Y193 HydrophobicContact CB-CD1 3.82Å; K78-Y193 HydrophobicContact CB-CE1 3.99Å; K78-Y193 HydrophobicContact CD-CE1 4.09Å; K78-Y193 CarbonylContact O-C 3.59Å; K78-Y193 VanDerWaalsContact O-CA 3.31Å; K78-Y193 WeakPolarHBondContact O-CA 3.21Å; K78-L194 PolarHBondContact O-N 3.41Å
79	V	81.7	Confident	77.5	Confident	7 Å²	7	57 Å²	57	4%	0.042	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.3	122.7	-176.4	-175.4	0	0	0	0	109.8	Y81 L194 I196 E446 L447	V79-Y81 HydrophobicContact CG1-CD2 4.2Å; V79-Y81 HydrophobicContact CG1-CE2 3.72Å; V79-L194 WeakPolarHBondContact CA-O 3.32Å; V79-L194 HydrophobicContact CG2-CB 4.38Å; V79-L194 HydrophobicContact CG2-CD2 4.28Å; V79-I196 HydrophobicContact CG1-CD1 3.65Å; V79-I196 HydrophobicContact CG1-CG1 4.23Å; V79-E446 PolarHBondContact N-OE2 3.44Å; V79-E446 VanDerWaalsContact N-OE2 3.12Å; V79-E446 VanDerWaalsContact O-OE2 3.13Å; V79-L447 HydrophobicContact CG2-CD1 3.93Å; V79-L447 HydrophobicContact CG2-CG 4.02Å
80	L	86.3	Confident	78.2	Confident	53 Å²	53	55.6 Å²	55.6	28%	0.277	27%	0.271	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.6	110.6	178.1	-69.2	179.3	0	0	0	110.1	I90 Y193 L194 L195 I196	L80-I90 HydrophobicContact CD1-CG1 4.22Å; L80-I90 HydrophobicContact CD1-CG2 4.01Å; L80-Y193 HydrophobicContact CD1-CD1 3.36Å; L80-Y193 HydrophobicContact CD1-CE1 3.75Å; L80-Y193 HydrophobicContact CD1-CG 4.06Å; L80-Y193 HydrophobicContact CG-CD1 3.76Å; L80-Y193 HydrophobicContact CG-CE1 4.24Å; L80-L194 PolarHBondContact N-O 2.02Å; L80-L195 HydrophobicContact CB-CD1 3.51Å; L80-L195 HydrophobicContact CD1-CD1 4.01Å; L80-L195 HydrophobicContact CG-CD1 4.42Å; L80-I196 PolarHBondContact O-N 3.46Å
81	Y	85.3	Confident	79.3	Confident	43 Å²	43	50 Å²	50	17%	0.169	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.7	130.2	170.7	-67.8	-77.7	0	0	0	110.6	V79 I196 M198 R453	V79-Y81 HydrophobicContact CG1-CD2 4.2Å; V79-Y81 HydrophobicContact CG1-CE2 3.72Å; Y81-I196 VanDerWaalsContact CA-O 3.31Å; Y81-I196 WeakPolarHBondContact CA-O 3.45Å; Y81-I196 HydrophobicContact CD1-CB 3.94Å; Y81-I196 HydrophobicContact CD1-CG2 4.04Å; Y81-I196 HydrophobicContact CE1-CB 4.02Å; Y81-I196 HydrophobicContact CE1-CD1 4.19Å; Y81-I196 HydrophobicContact CE1-CG2 3.89Å; Y81-M198 HydrophobicContact CD1-CG 4.26Å; Y81-R453 HydrophobicContact CE1-CB 4.24Å; Y81-R453 HydrophobicContact CE1-CG 4.32Å; Y81-R453 HydrophobicContact CE2-CG 4.24Å
82	Y	86.9	Confident	80.5	Confident	11 Å²	11	42.5 Å²	42.5	4%	0.043	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.3	148	176.1	66.6	-82.5	0	0	0	112.8	V88 A170 G171 V174 Q175 L195 I196 A197 M198	Y82-V88 VanDerWaalsContact CB-CG2 3.43Å; Y82-V88 HydrophobicContact CD1-CG2 4.23Å; Y82-V88 HydrophobicContact CD2-CG2 3.65Å; Y82-V88 HydrophobicContact CE2-CG2 4.46Å; Y82-V88 HydrophobicContact CG-CG2 3.51Å; Y82-A170 HydrophobicContact CD2-CB 3.78Å; Y82-A170 HydrophobicContact CE2-CB 3.55Å; Y82-G171 PolarHBondContact OH-O 2.94Å; Y82-V174 HydrophobicContact CE2-CG2 4.28Å; Y82-V174 WeakPolarHBondContact OH-CG2 3.43Å; Y82-Q175 HydrophobicContact CE1-CG 4.43Å; Y82-Q175 VanDerWaalsContact OH-CG 3.28Å; Y82-Q175 WeakPolarHBondContact OH-CG 3.48Å; Y82-L195 HydrophobicContact CD1-CD1 4.25Å; Y82-L195 HydrophobicContact CD1-CD2 4.09Å; Y82-L195 HydrophobicContact CD1-CG 3.69Å; Y82-L195 HydrophobicContact CE1-CB 4.44Å; Y82-L195 HydrophobicContact CE1-CD2 3.8Å; Y82-L195 HydrophobicContact CE1-CG 3.61Å; Y82-I196 WeakPolarHBondContact CD1-O 3.18Å; Y82-I196 PolarHBondContact N-O 2.88Å; Y82-A197 HydrophobicContact CE1-CB 4.03Å; Y82-A197 HydrophobicContact CE2-CB 3.84Å; Y82-A197 CarbonylContact O-C 3.43Å; Y82-M198 PolarHBondContact O-N 2.95Å
83	W	80.3	Confident	81.8	Confident	40 Å²	40	37.8 Å²	37.8	15%	0.152	19%	0.192	C	C	.	.			trans	-79.9	129.6	169.8	-66.4	108.2	0	0	0	109.6	R86 M198 Q319 M455 Y547	W83-R86 HydrophobicContact CB-CG 3.91Å; W83-R86 WeakPolarHBondContact O-CB 3.15Å; W83-R86 PolarHBondContact O-N 3.48Å; W83-M198 HydrophobicContact CB-CE 4.49Å; W83-M198 VanDerWaalsContact CD1-CE 3.42Å; W83-M198 HydrophobicContact CD2-CB 4.03Å; W83-M198 HydrophobicContact CD2-CE 3.47Å; W83-M198 VanDerWaalsContact CD2-CE 3.47Å; W83-M198 HydrophobicContact CD2-SD 4.21Å; W83-M198 HydrophobicContact CE3-CB 3.52Å; W83-M198 HydrophobicContact CE3-CE 4.2Å; W83-M198 HydrophobicContact CE3-SD 4.49Å; W83-M198 HydrophobicContact CG-CE 3.6Å; W83-M198 HydrophobicContact CH2-CB 4.02Å; W83-M198 HydrophobicContact CH2-CE 4.43Å; W83-M198 HydrophobicContact CH2-SD 3.95Å; W83-M198 HydrophobicContact CZ2-CB 4.48Å; W83-M198 HydrophobicContact CZ2-CE 3.75Å; W83-M198 HydrophobicContact CZ2-SD 3.64Å; W83-M198 HydrophobicContact CZ3-CB 3.52Å; W83-M198 HydrophobicContact CZ3-SD 4.37Å; W83-Q319 HydrophobicContact CE3-CB 4.11Å; W83-Q319 HydrophobicContact CE3-CG 4.43Å; W83-Q319 HydrophobicContact CZ3-CB 4.48Å; W83-M455 HydrophobicContact CH2-CE 3.41Å; W83-M455 VanDerWaalsContact CH2-CE 3.41Å; W83-M455 HydrophobicContact CH2-SD 3.77Å; W83-M455 HydrophobicContact CZ3-CE 3.52Å; W83-M455 HydrophobicContact CZ3-SD 4.39Å; W83-Y547 AromaticContact CH2-CD1 3.88Å; W83-Y547 HydrophobicContact CH2-CD1 3.88Å; W83-Y547 AromaticContact CH2-CD2 3.98Å; W83-Y547 HydrophobicContact CH2-CD2 3.98Å; W83-Y547 HydrophobicContact CH2-CE1 4.07Å; W83-Y547 HydrophobicContact CH2-CE2 4.18Å; W83-Y547 AromaticContact CH2-CG 3.85Å; W83-Y547 HydrophobicContact CH2-CG 3.85Å; W83-Y547 HydrophobicContact CZ2-CD1 4.08Å; W83-Y547 AromaticContact CZ2-CD2 3.88Å; W83-Y547 HydrophobicContact CZ2-CD2 3.88Å; W83-Y547 AromaticContact CZ2-CE1 3.81Å; W83-Y547 HydrophobicContact CZ2-CE1 3.81Å; W83-Y547 AromaticContact CZ2-CE2 3.62Å; W83-Y547 HydrophobicContact CZ2-CE2 3.62Å; W83-Y547 HydrophobicContact CZ2-CG 4.13Å; W83-Y547 AromaticContact CZ2-CZ 3.59Å
84	P	78.7	Confident	82.8	Confident	0 Å²	0	37.4 Å²	37.4	0%	0	19%	0.189	C	C	.	.	T	Hydrogen-bonded Turn	trans	-54.6	155	173.5	-27.5	36.7	0	0	0	112.1	R86 A170 A197 M198 A199 E316 Q319	P84-R86 PolarHBondContact O-N 2.97Å; P84-R86 VanDerWaalsContact O-N 3.15Å; P84-A170 CarbonylContact C-O 3.55Å; P84-A170 VanDerWaalsContact CA-O 3.29Å; P84-A170 WeakPolarHBondContact CA-O 3.42Å; P84-A197 HydrophobicContact CG-CB 4.24Å; P84-M198 WeakPolarHBondContact CD-O 3.35Å; P84-A199 HydrophobicContact CG-CB 4.23Å; P84-E316 HydrophobicContact CB-CB 3.64Å; P84-E316 HydrophobicContact CB-CG 4.04Å; P84-E316 WeakPolarHBondContact CB-O 3.35Å; P84-E316 HydrophobicContact CG-CB 3.92Å; P84-E316 HydrophobicContact CG-CG 4.07Å; P84-Q319 PolarHBondContact O-NE2 3.06Å
85	F	72.9	Confident	84	Confident	33 Å²	33	34.6 Å²	34.6	15%	0.145	17%	0.17	C	C	.	.	T	Hydrogen-bonded Turn	trans	69.8	-6.8	-175.9	-48.2	-88.7	0	0	0	116.1	R153 A170 E316 A317	F85-R153 HydrophobicContact CD1-CB 3.66Å; F85-R153 HydrophobicContact CD1-CG 4.21Å; F85-R153 HydrophobicContact CE1-CB 3.37Å; F85-R153 VanDerWaalsContact CE1-CD 3.42Å; F85-R153 HydrophobicContact CE1-CG 3.49Å; F85-R153 VanDerWaalsContact CE1-CG 3.49Å; F85-R153 HydrophobicContact CZ-CB 4.48Å; F85-R153 HydrophobicContact CZ-CG 4.18Å; F85-A170 PolarHBondContact N-O 3.4Å; F85-E316 HydrophobicContact CE2-CB 3.68Å; F85-E316 VanDerWaalsContact CE2-O 3.32Å; F85-E316 WeakPolarHBondContact CE2-O 3.48Å; F85-E316 HydrophobicContact CZ-CB 4.12Å; F85-A317 HydrophobicContact CE2-CB 3.95Å; F85-A317 HydrophobicContact CZ-CB 4.35Å
86	R	79.6	Confident	84.7	Confident	164 Å²	164	39.1 Å²	39.1	62%	0.619	19%	0.188	S	C	*	.	S	Bend	trans	-85.4	167.1	171.9	-61.1	-64.8	-175.8	169	-0.8	110.9	W83 P84 K169 A170	W83-R86 HydrophobicContact CB-CG 3.91Å; W83-R86 WeakPolarHBondContact O-CB 3.15Å; W83-R86 PolarHBondContact O-N 3.48Å; P84-R86 PolarHBondContact O-N 2.97Å; P84-R86 VanDerWaalsContact O-N 3.15Å; R86-K169 PolarHBondContact O-N 2.99Å; R86-A170 PolarHBondContact O-N 2.76Å
87	A	86.4	Confident	85	Confident	51 Å²	51	44.6 Å²	44.6	42%	0.421	22%	0.215	S	C	.	.			trans	-79.9	141.9	163.5	0	0	0	0	0	108.2	V166 I167 Y168	A87-V166 HydrophobicContact CB-CG1 4.38Å; A87-I167 CarbonylContact C-O 3.38Å; A87-I167 VanDerWaalsContact CA-O 3.3Å; A87-I167 WeakPolarHBondContact CA-O 3.39Å; A87-Y168 HydrophobicContact CB-CD1 4.1Å
88	V	90.7	Very high	85	Confident	11 Å²	11	44.5 Å²	44.5	7%	0.067	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.9	126.8	172.5	-173.4	0	0	0	0	107.5	Y82 I90 V166 I167 A170 L195	Y82-V88 VanDerWaalsContact CB-CG2 3.43Å; Y82-V88 HydrophobicContact CD1-CG2 4.23Å; Y82-V88 HydrophobicContact CD2-CG2 3.65Å; Y82-V88 HydrophobicContact CE2-CG2 4.46Å; Y82-V88 HydrophobicContact CG-CG2 3.51Å; V88-I90 HydrophobicContact CG1-CD1 4.47Å; V88-I90 HydrophobicContact CG1-CG1 4.02Å; V88-V166 CarbonylContact O-C 3.33Å; V88-V166 VanDerWaalsContact O-CA 3.29Å; V88-V166 WeakPolarHBondContact O-CA 3.34Å; V88-I167 HydrophobicContact CB-CB 4.3Å; V88-I167 PolarHBondContact N-O 2.85Å; V88-I167 PolarHBondContact O-N 2.96Å; V88-A170 HydrophobicContact CB-CB 4.5Å; V88-A170 HydrophobicContact CG2-CB 3.53Å; V88-L195 HydrophobicContact CG1-CD1 3.72Å; V88-L195 HydrophobicContact CG1-CD2 4.21Å; V88-L195 HydrophobicContact CG1-CG 4.46Å
89	E	92.1	Very high	85.1	Confident	125 Å²	125	47 Å²	47	58%	0.584	23%	0.226	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-112.2	120.5	179.5	-60.6	178.8	179.6	0	0	108	L165 V166	E89-L165 WeakPolarHBondContact CA-O 3.45Å; E89-V166 HydrophobicContact CG-CG1 4.18Å; E89-V166 HydrophobicContact CG-CG2 4.1Å
90	I	93.5	Very high	85.2	Confident	0 Å²	0	52.4 Å²	52.4	0%	0	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.4	110.5	-176.2	-46.8	179.9	0	0	0	107.8	L80 V88 W107 L164 L165 I167 Y178 Y193 L195	L80-I90 HydrophobicContact CD1-CG1 4.22Å; L80-I90 HydrophobicContact CD1-CG2 4.01Å; V88-I90 HydrophobicContact CG1-CD1 4.47Å; V88-I90 HydrophobicContact CG1-CG1 4.02Å; I90-W107 HydrophobicContact CB-CH2 4.07Å; I90-W107 HydrophobicContact CG2-CH2 3.59Å; I90-W107 HydrophobicContact CG2-CZ3 3.88Å; I90-W107 VanDerWaalsContact O-CZ2 3.3Å; I90-W107 WeakPolarHBondContact O-CZ2 3.32Å; I90-L164 WeakPolarHBondContact O-CA 3.44Å; I90-L165 HydrophobicContact CB-CB 4.32Å; I90-L165 HydrophobicContact CD1-CD2 4.29Å; I90-L165 PolarHBondContact N-O 2.89Å; I90-L165 PolarHBondContact O-N 3.23Å; I90-I167 HydrophobicContact CD1-CD1 4.04Å; I90-Y178 HydrophobicContact CD1-CD2 4.38Å; I90-Y178 HydrophobicContact CD1-CG 4.34Å; I90-Y193 HydrophobicContact CG2-CD1 4.03Å; I90-Y193 HydrophobicContact CG2-CD2 3.28Å; I90-Y193 HydrophobicContact CG2-CE1 4.19Å; I90-Y193 HydrophobicContact CG2-CE2 3.48Å; I90-Y193 VanDerWaalsContact CG2-CE2 3.48Å; I90-Y193 HydrophobicContact CG2-CG 3.54Å; I90-L195 HydrophobicContact CD1-CD1 3.72Å; I90-L195 HydrophobicContact CD1-CD2 4.02Å; I90-L195 HydrophobicContact CD1-CG 4.4Å; I90-L195 HydrophobicContact CG1-CD1 4.22Å
91	P	91.9	Very high	85.2	Confident	34 Å²	34	52.3 Å²	52.3	22%	0.221	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.6	134.5	178.9	22.1	-22.4	0	0	0	111.8	I67 L93 L164 Y193	I67-P91 HydrophobicContact CD1-CB 3.52Å; I67-P91 HydrophobicContact CD1-CG 4.34Å; I67-P91 HydrophobicContact CG1-CB 4.21Å; P91-L93 PolarHBondContact O-N 2.9Å; P91-L164 HydrophobicContact CB-CD2 3.66Å; P91-Y193 WeakPolarHBondContact CG-OH 3.07Å; P91-Y193 WeakPolarHBondContact O-CE2 3.37Å; P91-Y193 VanDerWaalsContact O-CZ 3.27Å; P91-Y193 PolarHBondContact O-OH 2.75Å
92	C	91.5	Very high	85.1	Confident	0 Å²	0	52.9 Å²	52.9	0%	0	27%	0.273	C	S	.	.	P	Polyproline II helix	trans	-65	117.7	172	-179.3	0	0	0	0	109.4	C66 I67 W107 G163 C180	C66-C92 CarbonylContact C-O 3.57Å; C66-C92 WeakPolarHBondContact CA-O 3.12Å; C66-C92 HydrophobicContact CB-CB 3.9Å; C66-C92 WeakPolarHBondContact CB-O 3.36Å; C66-C92 VanDerWaalsContact CB-SG 3.53Å; I67-C92 PolarHBondContact N-O 2.72Å; C92-W107 HydrophobicContact CB-CH2 4.48Å; C92-W107 HydrophobicContact CB-CZ2 3.84Å; C92-G163 WeakPolarHBondContact CB-O 3.31Å; C92-G163 PolarHBondContact N-O 2.79Å; C92-C180 HydrophobicContact CB-CB 3.72Å; C92-C180 WeakPolarHBondContact CB-SG 3Å; C92-C180 WeakPolarHBondContact SG-CB 2.71Å; C92-C180 CovalentContact SG-SG 2.02Å; C92-C180 PolarHBondContact SG-SG 3.24Å
93	L	89	Confident	85.3	Confident	14 Å²	14	56 Å²	56	7%	0.073	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.5	135.8	175.2	-57	-177.5	0	0	0	110.4	I67 D69 K78 P91 Y193	I67-L93 HydrophobicContact CB-CD2 4.18Å; I67-L93 HydrophobicContact CG2-CD2 4.49Å; I67-L93 WeakPolarHBondContact O-CA 3.34Å; D69-L93 HydrophobicContact CB-CD2 4.21Å; K78-L93 HydrophobicContact CD-CD1 3.9Å; P91-L93 PolarHBondContact O-N 2.9Å; L93-Y193 HydrophobicContact CD1-CE1 4.45Å; L93-Y193 HydrophobicContact CD1-CE2 4.23Å; L93-Y193 WeakPolarHBondContact CD1-OH 3.35Å; L93-Y193 WeakPolarHBondContact CD2-OH 3.49Å; L93-Y193 HydrophobicContact CG-CE2 4.06Å; L93-Y193 WeakPolarHBondContact CG-OH 3.44Å
94	C	85.1	Confident	85.7	Confident	11 Å²	11	55.1 Å²	55.1	7%	0.074	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.9	156.8	175.6	-69.9	0	0	0	0	111	C66 I67 F99	C66-C94 HydrophobicContact CB-CB 3.97Å; C66-C94 WeakPolarHBondContact CB-SG 3.3Å; C66-C94 WeakPolarHBondContact SG-CB 3.44Å; C66-C94 CovalentContact SG-SG 2.04Å; C66-C94 PolarHBondContact SG-SG 2.7Å; I67-C94 PolarHBondContact O-N 2.95Å; C94-F99 HydrophobicContact CB-CB 4.36Å
95	D	83.8	Confident	86.2	Confident	28 Å²	28	55.2 Å²	55.2	15%	0.15	29%	0.285	C	S	.	.			trans	-76.8	-179.4	156.9	63.2	7	0	0	0	111.1	D97 G98 F99 Q190	D95-D97 VanDerWaalsContact C-N 3.26Å; D95-D97 PolarHBondContact O-N 3Å; D95-D97 PolarHBondContact OD1-N 3.03Å; D95-G98 PolarHBondContact O-N 2.75Å; D95-G98 PolarHBondContact OD1-N 2.91Å; D95-F99 WeakPolarHBondContact O-CB 3.01Å; D95-F99 PolarHBondContact O-N 3.24Å; D95-Q190 PolarHBondContact OD2-NE2 2.75Å; D95-Q190 PolarHBondContact OD2-OE1 3.39Å
96	K	83.2	Confident	87.1	Confident	132 Å²	132	57.2 Å²	57.2	57%	0.574	29%	0.292	S	S	*	.	H	α-helix	trans	-59.9	-37.8	-177	-172.7	176.2	-179.2	176.7	0	112.3	Y68 L100	Y68-K96 HydrophobicContact CE2-CB 3.99Å; K96-L100 HydrophobicContact CG-CD1 4.35Å; K96-L100 WeakPolarHBondContact O-CG 3.29Å; K96-L100 PolarHBondContact O-N 3.01Å
97	D	81.7	Confident	87.7	Confident	123 Å²	123	49.5 Å²	49.5	66%	0.658	26%	0.263	S	S	*	.	H	α-helix	trans	-73.3	-41.8	-179.1	-64.1	-23.7	0	0	0	110.8	D95 F99 L100 N101	D95-D97 VanDerWaalsContact C-N 3.26Å; D95-D97 PolarHBondContact O-N 3Å; D95-D97 PolarHBondContact OD1-N 3.03Å; D97-F99 VanDerWaalsContact C-N 3.33Å; D97-F99 PolarHBondContact O-N 2.89Å; D97-L100 PolarHBondContact O-N 2.84Å; D97-N101 WeakPolarHBondContact O-CB 3.3Å; D97-N101 PolarHBondContact O-N 3.27Å
98	G	82.2	Confident	88	Confident	2 Å²	2	47.7 Å²	47.7	2%	0.021	25%	0.245	C	C	.	.	H	α-helix	trans	-63.4	-36.1	173.2	0	0	0	0	0	113.1	D95 N101 K105	D95-G98 PolarHBondContact O-N 2.75Å; D95-G98 PolarHBondContact OD1-N 2.91Å; G98-N101 PolarHBondContact O-OD1 3.36Å; G98-N101 VanDerWaalsContact O-OD1 3.04Å; G98-K105 PolarHBondContact O-NZ 3.34Å
99	F	83.6	Confident	88	Confident	106 Å²	106	47.3 Å²	47.3	47%	0.465	24%	0.242	S	C	.	.	H	α-helix	trans	-66.6	-35.5	178.4	-179.2	-104	0	0	0	112.7	C66 C94 D95 D97	C66-F99 VanDerWaalsContact O-CD2 3.25Å; C66-F99 WeakPolarHBondContact O-CD2 3.33Å; C66-F99 VanDerWaalsContact O-CE2 3.28Å; C66-F99 WeakPolarHBondContact O-CE2 3.32Å; C94-F99 HydrophobicContact CB-CB 4.36Å; D95-F99 WeakPolarHBondContact O-CB 3.01Å; D95-F99 PolarHBondContact O-N 3.24Å; D97-F99 VanDerWaalsContact C-N 3.33Å; D97-F99 PolarHBondContact O-N 2.89Å
100	L	83.8	Confident	87.8	Confident	120 Å²	120	42 Å²	42	63%	0.628	22%	0.218	S	C	*	.	H	α-helix	trans	-96.8	-7.6	-173.9	-63.8	175.7	0	0	0	114.4	K96 D97 G102	K96-L100 HydrophobicContact CG-CD1 4.35Å; K96-L100 WeakPolarHBondContact O-CG 3.29Å; K96-L100 PolarHBondContact O-N 3.01Å; D97-L100 PolarHBondContact O-N 2.84Å; L100-G102 VanDerWaalsContact C-N 3.31Å; L100-G102 PolarHBondContact O-N 2.97Å
101	N	86.2	Confident	87.3	Confident	50 Å²	50	42.8 Å²	42.8	27%	0.267	22%	0.223	S	C	.	.	S	Bend	trans	-76.8	-13.2	-172.2	71	13.3	0	0	0	114.9	D97 G98 K103 K105 D182	D97-N101 WeakPolarHBondContact O-CB 3.3Å; D97-N101 PolarHBondContact O-N 3.27Å; G98-N101 PolarHBondContact O-OD1 3.36Å; G98-N101 VanDerWaalsContact O-OD1 3.04Å; N101-K103 HydrophobicContact CB-CG 4.3Å; N101-K103 PolarHBondContact O-N 2.87Å; N101-K103 VanDerWaalsContact O-N 3.12Å; N101-K103 PolarHBondContact OD1-N 3.4Å; N101-K105 PolarHBondContact OD1-NZ 3.47Å; N101-K105 VanDerWaalsContact OD1-NZ 3.12Å; N101-D182 PolarHBondContact ND2-OD1 3.48Å; N101-D182 PolarHBondContact ND2-OD2 2.02Å
102	G	84.9	Confident	86.5	Confident	56 Å²	56	42.3 Å²	42.3	58%	0.577	22%	0.219	S	C	*	.			trans	62.8	14.3	179.9	0	0	0	0	0	114.8	A64 L100	A64-G102 WeakPolarHBondContact CB-O 3.24Å; L100-G102 VanDerWaalsContact C-N 3.31Å; L100-G102 PolarHBondContact O-N 2.97Å
103	K	89.5	Confident	85.3	Confident	75 Å²	75	48.7 Å²	48.7	33%	0.326	25%	0.248	S	C	.	.	P	Polyproline II helix	trans	-87.7	144.1	-177.7	-64.4	-165.8	-175.7	-178.6	0	111.7	A64 N101 K105 D182 E183 S184	A64-K103 WeakPolarHBondContact CA-O 3.02Å; N101-K103 HydrophobicContact CB-CG 4.3Å; N101-K103 PolarHBondContact O-N 2.87Å; N101-K103 VanDerWaalsContact O-N 3.12Å; N101-K103 PolarHBondContact OD1-N 3.4Å; K103-K105 VanDerWaalsContact O-CE 3.24Å; K103-K105 WeakPolarHBondContact O-CE 3.28Å; K103-K105 PolarHBondContact O-N 2.77Å; K103-D182 HydrophobicContact CB-CB 3.94Å; K103-E183 HydrophobicContact CD-CB 4.34Å; K103-S184 VanDerWaalsContact CD-OG 3.24Å; K103-S184 WeakPolarHBondContact CD-OG 3.37Å; K103-S184 WeakPolarHBondContact CE-OG 3.46Å; K103-S184 PolarHBondContact NZ-OG 3.36Å
104	M	89	Confident	83.5	Confident	23 Å²	23	51.4 Å²	51.4	11%	0.113	26%	0.263	C	S	.	.	P	Polyproline II helix	trans	-57.8	128.7	175.4	-69.3	-163.6	-54.6	0	0	111.7	P44 L47 E60 D182	P44-M104 HydrophobicContact CB-SD 4.09Å; L47-M104 HydrophobicContact CD1-CE 3.32Å; L47-M104 HydrophobicContact CD1-SD 3.65Å; L47-M104 HydrophobicContact CD2-CE 4.4Å; L47-M104 HydrophobicContact CD2-SD 4.05Å; L47-M104 HydrophobicContact CG-CE 3.49Å; L47-M104 VanDerWaalsContact CG-CE 3.49Å; L47-M104 HydrophobicContact CG-SD 3.78Å; E60-M104 HydrophobicContact CG-CG 4.4Å; M104-D182 WeakPolarHBondContact O-CB 2.88Å
105	K	90.3	Very high	81.8	Confident	1 Å²	1	55.1 Å²	55.1	0%	0.004	28%	0.282	C	S	.	.	P	Polyproline II helix	trans	-86.5	144.5	176.1	-50.5	-54.9	170.7	179.7	0	110.3	Y63 A64 C66 G98 N101 K103 Q160 Y181 D182	Y63-K105 VanDerWaalsContact O-CB 3.3Å; Y63-K105 WeakPolarHBondContact O-CB 3.16Å; Y63-K105 WeakPolarHBondContact O-CG 3.38Å; Y63-K105 PolarHBondContact O-N 2.85Å; A64-K105 VanDerWaalsContact O-CE 3.28Å; A64-K105 WeakPolarHBondContact O-CE 3.49Å; C66-K105 HydrophobicContact CB-CG 4.4Å; C66-K105 VanDerWaalsContact SG-CE 3.58Å; G98-K105 PolarHBondContact O-NZ 3.34Å; N101-K105 PolarHBondContact OD1-NZ 3.47Å; N101-K105 VanDerWaalsContact OD1-NZ 3.12Å; K103-K105 VanDerWaalsContact O-CE 3.24Å; K103-K105 WeakPolarHBondContact O-CE 3.28Å; K103-K105 PolarHBondContact O-N 2.77Å; K105-Q160 PolarHBondContact O-NE2 3.33Å; K105-Y181 CarbonylContact C-O 3.58Å; K105-Y181 WeakPolarHBondContact CA-O 3.28Å; K105-D182 HydrophobicContact CD-CB 4.12Å; K105-D182 IonicContact NZ-OD2 2.74Å; K105-D182 PolarHBondContact NZ-OD2 3.5Å
106	R	90.6	Very high	80.2	Confident	76 Å²	76	59.5 Å²	59.5	29%	0.287	30%	0.3	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.5	158.7	177.6	-60.3	-176.3	-170.6	-172.6	4.1	109.2	P44 C180 Y181	P44-R106 HydrophobicContact CG-CG 3.92Å; R106-C180 CarbonylContact O-C 3.51Å; R106-C180 WeakPolarHBondContact O-CA 3.34Å; R106-Y181 HydrophobicContact CB-CD1 4.2Å; R106-Y181 HydrophobicContact CB-CE1 3.68Å; R106-Y181 HydrophobicContact CB-CE2 4.38Å; R106-Y181 PolarHBondContact N-O 3.48Å; R106-Y181 VanDerWaalsContact O-CD1 3.32Å; R106-Y181 WeakPolarHBondContact O-CD1 3.17Å; R106-Y181 PolarHBondContact O-N 3.01Å
107	W	92.2	Very high	78.7	Confident	2 Å²	2	54.6 Å²	54.6	1%	0.008	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.8	132.2	177.8	-71.7	89.7	0	0	0	110.5	I90 C92 I131 L165 C180 Y193	I90-W107 HydrophobicContact CB-CH2 4.07Å; I90-W107 HydrophobicContact CG2-CH2 3.59Å; I90-W107 HydrophobicContact CG2-CZ3 3.88Å; I90-W107 VanDerWaalsContact O-CZ2 3.3Å; I90-W107 WeakPolarHBondContact O-CZ2 3.32Å; C92-W107 HydrophobicContact CB-CH2 4.48Å; C92-W107 HydrophobicContact CB-CZ2 3.84Å; W107-I131 HydrophobicContact CB-CB 4.43Å; W107-I131 HydrophobicContact CB-CG2 3.93Å; W107-I131 WeakPolarHBondContact O-CG2 3.45Å; W107-I131 PolarHBondContact O-N 2.98Å; W107-L165 HydrophobicContact CB-CD2 4.21Å; W107-L165 HydrophobicContact CD2-CB 3.75Å; W107-L165 HydrophobicContact CD2-CD2 3.78Å; W107-L165 HydrophobicContact CD2-CG 4.31Å; W107-L165 HydrophobicContact CE3-CB 4.37Å; W107-L165 HydrophobicContact CE3-CD2 3.93Å; W107-L165 HydrophobicContact CG-CB 4.04Å; W107-L165 HydrophobicContact CG-CD1 4.31Å; W107-L165 HydrophobicContact CG-CD2 3.89Å; W107-L165 HydrophobicContact CG-CG 4.32Å; W107-L165 HydrophobicContact CH2-CB 4.33Å; W107-L165 HydrophobicContact CZ2-CB 3.72Å; W107-C180 HydrophobicContact CD2-CB 4.15Å; W107-C180 HydrophobicContact CE3-CB 4.09Å; W107-C180 HydrophobicContact CH2-CB 3.87Å; W107-C180 HydrophobicContact CZ2-CB 3.92Å; W107-C180 HydrophobicContact CZ3-CB 3.95Å; W107-Y193 HydrophobicContact CH2-CD2 4.3Å; W107-Y193 HydrophobicContact CH2-CE2 4.2Å; W107-Y193 HydrophobicContact CZ3-CD2 4.16Å; W107-Y193 HydrophobicContact CZ3-CE2 4.49Å
108	R	92.2	Very high	77.5	Confident	12 Å²	12	53.7 Å²	53.7	5%	0.045	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.8	152.9	169.1	59.4	-177.2	172.4	177.1	-17.4	110.2	M125 F128 R129 Y178 N179 Y181 N188 I189	R108-M125 PolarHBondContact NH1-SD 3.1Å; R108-M125 VanDerWaalsContact NH1-SD 3.4Å; R108-F128 HydrophobicContact CB-CB 4.09Å; R108-F128 HydrophobicContact CB-CD1 4.23Å; R108-F128 HydrophobicContact CG-CB 4Å; R108-F128 HydrophobicContact CG-CD1 3.73Å; R108-F128 HydrophobicContact CG-CG 4.14Å; R108-R129 CarbonylContact C-O 3.58Å; R108-R129 WeakPolarHBondContact CA-O 3.39Å; R108-R129 VanDerWaalsContact CB-O 3.23Å; R108-R129 WeakPolarHBondContact CB-O 3.47Å; R108-Y178 WeakPolarHBondContact O-CA 3.08Å; R108-N179 HydrophobicContact CG-CB 4.07Å; R108-N179 WeakPolarHBondContact CG-O 3.47Å; R108-N179 PolarHBondContact N-O 2.94Å; R108-N179 PolarHBondContact NE-OD1 3.48Å; R108-N179 PolarHBondContact NH2-OD1 3.39Å; R108-N179 PolarHBondContact O-N 3.03Å; R108-Y181 HydrophobicContact CB-CD1 4.12Å; R108-Y181 HydrophobicContact CB-CE1 3.71Å; R108-Y181 HydrophobicContact CG-CD1 3.77Å; R108-Y181 HydrophobicContact CG-CE1 3.89Å; R108-N188 PolarHBondContact NH2-O 2.57Å; R108-I189 VanDerWaalsContact NH2-CG1 3.25Å
109	Y	91.9	Very high	76.2	Confident	3 Å²	3	54.3 Å²	54.3	1%	0.012	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.5	143.1	-173.4	172.2	-104.6	0	0	0	110.3	P111 R129 Y134 F138 Q175 V177 Y178	Y109-P111 HydrophobicContact CE1-CB 3.76Å; Y109-P111 HydrophobicContact CE1-CG 4.2Å; Y109-R129 PolarHBondContact N-O 2.98Å; Y109-R129 PolarHBondContact O-N 3.34Å; Y109-Y134 AromaticContact CD1-CD1 3.81Å; Y109-Y134 HydrophobicContact CD1-CD1 3.81Å; Y109-Y134 AromaticContact CD1-CD2 3.56Å; Y109-Y134 HydrophobicContact CD1-CD2 3.56Å; Y109-Y134 HydrophobicContact CD1-CE1 4.03Å; Y109-Y134 AromaticContact CD1-CE2 3.74Å; Y109-Y134 HydrophobicContact CD1-CE2 3.74Å; Y109-Y134 AromaticContact CD1-CG 3.56Å; Y109-Y134 HydrophobicContact CD1-CG 3.56Å; Y109-Y134 AromaticContact CD1-CZ 4Å; Y109-Y134 AromaticContact CE1-CD1 3.98Å; Y109-Y134 HydrophobicContact CE1-CD1 3.98Å; Y109-Y134 HydrophobicContact CE1-CE1 4.24Å; Y109-Y134 HydrophobicContact CE1-CG 4.12Å; Y109-Y134 HydrophobicContact CG-CD2 4.29Å; Y109-Y134 HydrophobicContact CG-CE2 4.49Å; Y109-Y134 VanDerWaalsContact O-CE2 3.28Å; Y109-Y134 WeakPolarHBondContact O-CE2 3.3Å; Y109-F138 HydrophobicContact CD1-CE1 4.22Å; Y109-F138 AromaticContact CD1-CZ 3.74Å; Y109-F138 HydrophobicContact CD1-CZ 3.74Å; Y109-F138 HydrophobicContact CD2-CE1 4.5Å; Y109-F138 HydrophobicContact CD2-CZ 4.08Å; Y109-F138 AromaticContact CE1-CE1 3.68Å; Y109-F138 HydrophobicContact CE1-CE1 3.68Å; Y109-F138 AromaticContact CE1-CZ 3.69Å; Y109-F138 HydrophobicContact CE1-CZ 3.69Å; Y109-F138 AromaticContact CE2-CE1 3.98Å; Y109-F138 HydrophobicContact CE2-CE1 3.98Å; Y109-F138 HydrophobicContact CE2-CZ 4.02Å; Y109-F138 AromaticContact CG-CZ 3.9Å; Y109-F138 HydrophobicContact CG-CZ 3.9Å; Y109-F138 AromaticContact CZ-CE1 3.54Å; Y109-F138 AromaticContact CZ-CZ 3.83Å; Y109-Q175 PolarHBondContact OH-O 2.73Å; Y109-V177 CarbonylContact C-O 3.55Å; Y109-V177 WeakPolarHBondContact CA-O 3.17Å; Y109-Y178 HydrophobicContact CD2-CD1 4.03Å; Y109-Y178 HydrophobicContact CD2-CD2 4.24Å; Y109-Y178 AromaticContact CD2-CE1 3.48Å; Y109-Y178 HydrophobicContact CD2-CE1 3.48Å; Y109-Y178 VanDerWaalsContact CD2-CE1 3.48Å; Y109-Y178 AromaticContact CD2-CE2 3.74Å; Y109-Y178 HydrophobicContact CD2-CE2 3.74Å; Y109-Y178 HydrophobicContact CD2-CG 4.38Å; Y109-Y178 AromaticContact CD2-CZ 3.32Å; Y109-Y178 HydrophobicContact CE2-CE1 4.22Å; Y109-Y178 AromaticContact CE2-CE2 3.83Å; Y109-Y178 HydrophobicContact CE2-CE2 3.83Å; Y109-Y178 AromaticContact CE2-CZ 3.59Å; Y109-Y178 WeakPolarHBondContact CE2-OH 3.25Å; Y109-Y178 HydrophobicContact CG-CE1 4.23Å
110	L	88.3	Confident	75.1	Confident	13 Å²	13	52.5 Å²	52.5	7%	0.068	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.7	115.3	170.4	168.7	65.8	0	0	0	107.7	A127 F128 V177	L110-A127 HydrophobicContact CD1-CB 3.74Å; L110-A127 WeakPolarHBondContact CD1-O 3.49Å; L110-A127 HydrophobicContact CD2-CB 4.35Å; L110-F128 HydrophobicContact CB-CD1 3.66Å; L110-F128 HydrophobicContact CB-CD2 4.19Å; L110-F128 HydrophobicContact CB-CE1 3.56Å; L110-F128 HydrophobicContact CB-CE2 4.07Å; L110-F128 HydrophobicContact CB-CG 3.99Å; L110-F128 HydrophobicContact CB-CZ 3.77Å; L110-F128 HydrophobicContact CD2-CD2 4.31Å; L110-F128 HydrophobicContact CD2-CE2 3.74Å; L110-F128 HydrophobicContact CD2-CZ 3.9Å; L110-V177 HydrophobicContact CB-CB 4.19Å; L110-V177 PolarHBondContact N-O 3.1Å; L110-V177 PolarHBondContact O-N 2.9Å
111	P	82.4	Confident	74.3	Confident	17 Å²	17	49.8 Å²	49.8	11%	0.11	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.3	151.1	177.3	24.8	-33.3	0	0	0	112	Y109 Q113 Y134	Y109-P111 HydrophobicContact CE1-CB 3.76Å; Y109-P111 HydrophobicContact CE1-CG 4.2Å; P111-Q113 HydrophobicContact CB-CG 4.49Å; P111-Q113 HydrophobicContact CG-CG 4.06Å; P111-Q113 PolarHBondContact O-N 2.91Å; P111-Y134 HydrophobicContact CG-CE1 4.17Å
112	L	75	Confident	73.7	Confident	25 Å²	25	49.1 Å²	49.1	13%	0.131	25%	0.251	C	S	.	.			trans	-69.8	95.8	164.9	-62	178.3	0	0	0	108.4	Q175 L194	L112-Q175 HydrophobicContact CD1-CB 4.33Å; L112-L194 HydrophobicContact CD2-CD1 3.94Å
113	Q	65.8	Low	73.3	Confident	134 Å²	134	49.1 Å²	49.1	63%	0.626	24%	0.242	S	C	*	.			trans	-84.9	159.5	177.5	-67.9	-170.4	-7.4	0	0	112.9	P111 D115	P111-Q113 HydrophobicContact CB-CG 4.49Å; P111-Q113 HydrophobicContact CG-CG 4.06Å; P111-Q113 PolarHBondContact O-N 2.91Å; Q113-D115 PolarHBondContact O-N 2.68Å
114	D	52.4	Low	72.9	Confident	70 Å²	70	48.7 Å²	48.7	37%	0.374	24%	0.244	S	C	.	.	S	Bend	trans	-85.7	6.4	-144.4	-72.1	-18.6	0	0	0	119	R436 G465 Q466 G467	D114-R436 PolarHBondContact O-NH1 2.74Å; D114-R436 PolarHBondContact O-NH2 2.77Å; D114-G465 WeakPolarHBondContact CB-O 3.37Å; D114-Q466 VanDerWaalsContact CG-CA 3.49Å; D114-Q466 VanDerWaalsContact OD1-C 3.25Å; D114-Q466 WeakPolarHBondContact OD1-CA 3.37Å; D114-Q466 PolarHBondContact OD1-N 3.2Å; D114-G467 PolarHBondContact OD1-N 3.04Å
115	D	48.8	Very low	72.6	Confident	89 Å²	89	49.7 Å²	49.7	48%	0.476	25%	0.248	S	C	.	.	S	Bend	trans	-157	-17.4	178.9	61.3	-10	0	0	0	116.3	Q113 R436	Q113-D115 PolarHBondContact O-N 2.68Å; D115-R436 VanDerWaalsContact CA-NH2 3.26Å
116	K	49.4	Very low	72.4	Confident	120 Å²	120	57 Å²	57	52%	0.522	29%	0.287	S	S	.	.			trans	-138.8	50.9	-170.5	-62.8	172.3	-167.2	175.7	0	111.1	E118 K121	K116-E118 PolarHBondContact O-N 2.71Å; K116-K121 WeakPolarHBondContact O-CE 3.01Å; K116-K121 PolarHBondContact O-NZ 2.75Å
117	W	52.4	Low	72.1	Confident	30 Å²	30	54.8 Å²	54.8	11%	0.114	29%	0.285	C	S	.	.			trans	-69.6	82.7	160.6	-162.8	83.4	0	0	0	107.9	L440 H443	W117-L440 HydrophobicContact CD2-CD2 3.76Å; W117-L440 HydrophobicContact CE3-CD2 3.43Å; W117-L440 VanDerWaalsContact CE3-CD2 3.43Å; W117-L440 HydrophobicContact CE3-CG 3.9Å; W117-L440 HydrophobicContact CH2-CD2 3.92Å; W117-L440 HydrophobicContact CZ2-CD2 4.22Å; W117-L440 HydrophobicContact CZ3-CB 4.41Å; W117-L440 HydrophobicContact CZ3-CD2 3.54Å; W117-L440 HydrophobicContact CZ3-CG 4.09Å; W117-H443 HydrophobicContact CH2-CB 4.39Å
118	E	57	Low	72	Confident	103 Å²	103	55.4 Å²	55.4	48%	0.481	29%	0.288	S	S	.	.			trans	-80.6	121.3	160.9	-71.9	176.1	-164.4	0	0	105.5	K116 S120 K121	K116-E118 PolarHBondContact O-N 2.71Å; E118-S120 PolarHBondContact O-N 2.93Å; E118-S120 VanDerWaalsContact O-N 3.12Å; E118-K121 HydrophobicContact CB-CD 4.48Å; E118-K121 HydrophobicContact CB-CG 4.3Å; E118-K121 WeakPolarHBondContact O-CB 3.42Å; E118-K121 WeakPolarHBondContact O-CG 3.38Å; E118-K121 PolarHBondContact O-N 2.8Å
119	S	54.7	Low	71.9	Confident	16 Å²	16	61.7 Å²	61.7	11%	0.112	31%	0.312	C	S	.	.	G	3₁₀ helix	trans	-52.2	-33	179.8	52.9	0	0	0	0	113.7	K121 W122 H443	S119-K121 PolarHBondContact O-N 3.4Å; S119-W122 PolarHBondContact O-N 2.81Å; S119-W122 PolarHBondContact O-NE1 2.9Å; S119-H443 WeakPolarHBondContact CB-CD2 3.42Å; S119-H443 WeakPolarHBondContact CB-NE2 3.17Å; S119-H443 PolarHBondContact OG-CD2 3.17Å; S119-H443 PolarHBondContact OG-CE1 3.25Å; S119-H443 PolarHBondContact OG-NE2 3.32Å
120	S	59.7	Low	71.8	Confident	68 Å²	68	62.5 Å²	62.5	48%	0.476	32%	0.317	S	S	.	.	G	3₁₀ helix	trans	-51.7	-25.4	173.1	50.8	0	0	0	0	112.9	E118 W122 S123 D124	E118-S120 PolarHBondContact O-N 2.93Å; E118-S120 VanDerWaalsContact O-N 3.12Å; S120-W122 VanDerWaalsContact C-N 3.34Å; S120-W122 PolarHBondContact O-N 3.04Å; S120-S123 PolarHBondContact O-N 2.94Å; S120-S123 PolarHBondContact O-OG 2.9Å; S120-D124 PolarHBondContact O-N 2.92Å
121	K	67	Low	71.8	Confident	63 Å²	63	62.2 Å²	62.2	27%	0.274	32%	0.315	S	S	.	.	G	3₁₀ helix	trans	-69.4	-20.3	178.7	-64.2	-177.7	176.9	177.3	0	115	K116 E118 S119 S123 D124	K116-K121 WeakPolarHBondContact O-CE 3.01Å; K116-K121 PolarHBondContact O-NZ 2.75Å; E118-K121 HydrophobicContact CB-CD 4.48Å; E118-K121 HydrophobicContact CB-CG 4.3Å; E118-K121 WeakPolarHBondContact O-CB 3.42Å; E118-K121 WeakPolarHBondContact O-CG 3.38Å; E118-K121 PolarHBondContact O-N 2.8Å; S119-K121 PolarHBondContact O-N 3.4Å; K121-S123 PolarHBondContact O-N 3.35Å; K121-D124 HydrophobicContact CB-CB 4.37Å; K121-D124 WeakPolarHBondContact O-CB 3.14Å; K121-D124 PolarHBondContact O-N 2.93Å
122	W	73.8	Confident	71.9	Confident	36 Å²	36	63.6 Å²	63.6	14%	0.136	32%	0.319	C	S	.	.	G	3₁₀ helix	trans	-66	-22.6	173.5	71.8	-108.3	0	0	0	111.5	D75 V77 S119 S120 F128 V177 I189 A192	D75-W122 VanDerWaalsContact O-CH2 3.28Å; D75-W122 WeakPolarHBondContact O-CH2 3.2Å; D75-W122 WeakPolarHBondContact O-CZ2 2.97Å; V77-W122 HydrophobicContact CG2-CB 4.41Å; V77-W122 HydrophobicContact CG2-CD2 3.59Å; V77-W122 HydrophobicContact CG2-CE3 4.17Å; V77-W122 HydrophobicContact CG2-CG 3.62Å; V77-W122 HydrophobicContact CG2-CZ2 4.44Å; S119-W122 PolarHBondContact O-N 2.81Å; S119-W122 PolarHBondContact O-NE1 2.9Å; S120-W122 VanDerWaalsContact C-N 3.34Å; S120-W122 PolarHBondContact O-N 3.04Å; W122-F128 VanDerWaalsContact O-CE2 3.23Å; W122-F128 WeakPolarHBondContact O-CE2 3.37Å; W122-F128 WeakPolarHBondContact O-CZ 3.29Å; W122-V177 HydrophobicContact CB-CG1 4.19Å; W122-I189 HydrophobicContact CE3-CG2 4.06Å; W122-I189 HydrophobicContact CZ3-CB 4.47Å; W122-I189 HydrophobicContact CZ3-CG2 4.1Å; W122-I189 WeakPolarHBondContact O-CD1 3.37Å; W122-A192 HydrophobicContact CE3-CB 4.34Å
123	S	76.1	Confident	72.5	Confident	56 Å²	56	68.2 Å²	68.2	39%	0.392	34%	0.34	S	S	.	.	G	3₁₀ helix	trans	-92.5	-7.4	172.1	70.2	0	0	0	0	113.3	S120 K121 M125	S120-S123 PolarHBondContact O-N 2.94Å; S120-S123 PolarHBondContact O-OG 2.9Å; K121-S123 PolarHBondContact O-N 3.35Å; S123-M125 PolarHBondContact O-N 2.95Å
124	D	82.2	Confident	73.6	Confident	66 Å²	66	62.7 Å²	62.7	35%	0.353	31%	0.314	S	S	.	.			trans	-75.8	95.3	178.2	-177.1	4.5	0	0	0	110.1	S120 K121 D126 A127 F128	S120-D124 PolarHBondContact O-N 2.92Å; K121-D124 HydrophobicContact CB-CB 4.37Å; K121-D124 WeakPolarHBondContact O-CB 3.14Å; K121-D124 PolarHBondContact O-N 2.93Å; D124-D126 PolarHBondContact O-N 3.08Å; D124-D126 PolarHBondContact OD1-N 2.76Å; D124-A127 HydrophobicContact CB-CB 4.26Å; D124-A127 WeakPolarHBondContact O-CB 3.14Å; D124-A127 PolarHBondContact O-N 2.83Å; D124-A127 VanDerWaalsContact O-N 3.16Å; D124-F128 VanDerWaalsContact O-CD2 3.3Å; D124-F128 WeakPolarHBondContact O-CD2 3.49Å
125	M	82.3	Confident	75	Confident	44 Å²	44	59.4 Å²	59.4	22%	0.217	30%	0.296	C	S	.	.	G	3₁₀ helix	trans	-47.8	-42.7	178	-63.7	-62.8	-58.2	0	0	113.8	R108 S123 A127 F128 Q186 N188 I189	R108-M125 PolarHBondContact NH1-SD 3.1Å; R108-M125 VanDerWaalsContact NH1-SD 3.4Å; S123-M125 PolarHBondContact O-N 2.95Å; M125-A127 PolarHBondContact O-N 3.31Å; M125-F128 PolarHBondContact O-N 3.4Å; M125-Q186 VanDerWaalsContact CE-C 3.5Å; M125-Q186 WeakPolarHBondContact CE-O 3.29Å; M125-N188 VanDerWaalsContact CE-N 3.34Å; M125-I189 HydrophobicContact CE-CG1 4.41Å; M125-I189 HydrophobicContact CG-CG1 4.38Å; M125-I189 HydrophobicContact SD-CB 4.25Å; M125-I189 HydrophobicContact SD-CD1 3.83Å; M125-I189 HydrophobicContact SD-CG1 3.08Å; M125-I189 WeakPolarHBondContact SD-CG1 3.32Å; M125-I189 PolarHBondContact SD-N 3.21Å
126	D	85.7	Confident	76.6	Confident	153 Å²	153	60.2 Å²	60.2	82%	0.818	30%	0.295	S	S	*	.	G	3₁₀ helix	trans	-75.2	-16.1	-171	-66.1	-26.2	0	0	0	111.8	D124	D124-D126 PolarHBondContact O-N 3.08Å; D124-D126 PolarHBondContact OD1-N 2.76Å
127	A	85	Confident	78.2	Confident	30 Å²	30	58.1 Å²	58.1	25%	0.248	29%	0.29	C	S	.	.	G	3₁₀ helix	trans	-80.9	-23.8	177.7	0	0	0	0	0	112.9	L110 D124 M125	L110-A127 HydrophobicContact CD1-CB 3.74Å; L110-A127 WeakPolarHBondContact CD1-O 3.49Å; L110-A127 HydrophobicContact CD2-CB 4.35Å; D124-A127 HydrophobicContact CB-CB 4.26Å; D124-A127 WeakPolarHBondContact O-CB 3.14Å; D124-A127 PolarHBondContact O-N 2.83Å; D124-A127 VanDerWaalsContact O-N 3.16Å; M125-A127 PolarHBondContact O-N 3.31Å
128	F	89.2	Confident	79.8	Confident	15 Å²	15	56.8 Å²	56.8	7%	0.066	29%	0.285	C	S	.	.			trans	-84.7	147.5	-179.3	-73.9	-100.8	0	0	0	112	R108 L110 W122 D124 M125 V177 N179 I189	R108-F128 HydrophobicContact CB-CB 4.09Å; R108-F128 HydrophobicContact CB-CD1 4.23Å; R108-F128 HydrophobicContact CG-CB 4Å; R108-F128 HydrophobicContact CG-CD1 3.73Å; R108-F128 HydrophobicContact CG-CG 4.14Å; L110-F128 HydrophobicContact CB-CD1 3.66Å; L110-F128 HydrophobicContact CB-CD2 4.19Å; L110-F128 HydrophobicContact CB-CE1 3.56Å; L110-F128 HydrophobicContact CB-CE2 4.07Å; L110-F128 HydrophobicContact CB-CG 3.99Å; L110-F128 HydrophobicContact CB-CZ 3.77Å; L110-F128 HydrophobicContact CD2-CD2 4.31Å; L110-F128 HydrophobicContact CD2-CE2 3.74Å; L110-F128 HydrophobicContact CD2-CZ 3.9Å; W122-F128 VanDerWaalsContact O-CE2 3.23Å; W122-F128 WeakPolarHBondContact O-CE2 3.37Å; W122-F128 WeakPolarHBondContact O-CZ 3.29Å; D124-F128 VanDerWaalsContact O-CD2 3.3Å; D124-F128 WeakPolarHBondContact O-CD2 3.49Å; M125-F128 PolarHBondContact O-N 3.4Å; F128-V177 HydrophobicContact CE1-CB 4.18Å; F128-V177 HydrophobicContact CE1-CG1 3.92Å; F128-V177 HydrophobicContact CZ-CB 4.15Å; F128-V177 HydrophobicContact CZ-CG1 3.66Å; F128-N179 HydrophobicContact CE1-CB 4.37Å; F128-I189 HydrophobicContact CD2-CD1 3.51Å; F128-I189 HydrophobicContact CE1-CD1 4.49Å; F128-I189 HydrophobicContact CE2-CD1 3.35Å; F128-I189 HydrophobicContact CG-CD1 4.18Å; F128-I189 HydrophobicContact CZ-CD1 3.87Å
129	R	89.8	Confident	80.7	Confident	145 Å²	145	52.6 Å²	52.6	55%	0.547	27%	0.265	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.7	160.9	166.1	-43.9	-179.3	178.6	177.6	-1.3	110.8	R108 Y109 I131 Y134	R108-R129 CarbonylContact C-O 3.58Å; R108-R129 WeakPolarHBondContact CA-O 3.39Å; R108-R129 VanDerWaalsContact CB-O 3.23Å; R108-R129 WeakPolarHBondContact CB-O 3.47Å; Y109-R129 PolarHBondContact N-O 2.98Å; Y109-R129 PolarHBondContact O-N 3.34Å; R129-I131 PolarHBondContact O-N 3.49Å; R129-Y134 HydrophobicContact CB-CD2 4.34Å; R129-Y134 HydrophobicContact CB-CE2 3.56Å; R129-Y134 HydrophobicContact CG-CE2 4.06Å
130	D	89.9	Confident	81.8	Confident	20 Å²	20	54.7 Å²	54.7	11%	0.107	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-55.1	134.7	174.8	-170.1	-57.1	0	0	0	109.3	K132 E133	D130-K132 PolarHBondContact O-N 2.77Å; D130-K132 VanDerWaalsContact O-N 3.08Å; D130-K132 VanDerWaalsContact OD1-CB 3.28Å; D130-K132 WeakPolarHBondContact OD1-CB 3.08Å; D130-K132 WeakPolarHBondContact OD1-CD 3.41Å; D130-K132 VanDerWaalsContact OD1-CG 3.25Å; D130-K132 WeakPolarHBondContact OD1-CG 3.49Å; D130-K132 PolarHBondContact OD1-N 2.83Å; D130-E133 HydrophobicContact CB-CG 4.39Å; D130-E133 WeakPolarHBondContact O-CB 3.39Å; D130-E133 PolarHBondContact O-N 3.08Å
131	I	89.6	Confident	82.6	Confident	6 Å²	6	51.7 Å²	51.7	3%	0.031	25%	0.253	C	S	.	.	G	3₁₀ helix	trans	-56.5	-28	-177.2	-167	177	0	0	0	112.6	L42 W107 R129 E133 Y134 F138 F158 L165 Y178	L42-I131 HydrophobicContact CD2-CG1 4.3Å; L42-I131 HydrophobicContact CD2-CG2 3.83Å; W107-I131 HydrophobicContact CB-CB 4.43Å; W107-I131 HydrophobicContact CB-CG2 3.93Å; W107-I131 WeakPolarHBondContact O-CG2 3.45Å; W107-I131 PolarHBondContact O-N 2.98Å; R129-I131 PolarHBondContact O-N 3.49Å; I131-E133 PolarHBondContact O-N 2.8Å; I131-Y134 PolarHBondContact O-N 3.21Å; I131-Y134 VanDerWaalsContact O-N 3.1Å; I131-F138 HydrophobicContact CG1-CE2 3.81Å; I131-F138 HydrophobicContact CG1-CZ 4.25Å; I131-F158 HydrophobicContact CD1-CD1 3.39Å; I131-F158 HydrophobicContact CD1-CE1 3.56Å; I131-F158 HydrophobicContact CD1-CG 4.18Å; I131-F158 HydrophobicContact CD1-CZ 4.43Å; I131-F158 HydrophobicContact CG1-CD1 4.37Å; I131-F158 HydrophobicContact CG1-CE1 4.39Å; I131-L165 HydrophobicContact CD1-CD1 4.22Å; I131-L165 HydrophobicContact CD1-CD2 3.88Å; I131-Y178 HydrophobicContact CD1-CD1 4.22Å; I131-Y178 HydrophobicContact CD1-CE1 3.63Å; I131-Y178 HydrophobicContact CG1-CE1 4.42Å
132	K	84.7	Confident	83	Confident	47 Å²	47	49.4 Å²	49.4	20%	0.204	24%	0.242	C	C	.	.	G	3₁₀ helix	trans	-58.7	-34.9	174.9	-69.3	162.8	-173.3	-113	0	112.5	T39 L42 P44 D130 Y134 A135	T39-K132 HydrophobicContact CG2-CB 4.48Å; L42-K132 HydrophobicContact CB-CG 3.76Å; L42-K132 WeakPolarHBondContact O-CE 3.45Å; L42-K132 PolarHBondContact O-NZ 2.97Å; P44-K132 PolarHBondContact O-NZ 3.31Å; D130-K132 PolarHBondContact O-N 2.77Å; D130-K132 VanDerWaalsContact O-N 3.08Å; D130-K132 VanDerWaalsContact OD1-CB 3.28Å; D130-K132 WeakPolarHBondContact OD1-CB 3.08Å; D130-K132 WeakPolarHBondContact OD1-CD 3.41Å; D130-K132 VanDerWaalsContact OD1-CG 3.25Å; D130-K132 WeakPolarHBondContact OD1-CG 3.49Å; D130-K132 PolarHBondContact OD1-N 2.83Å; K132-Y134 PolarHBondContact O-N 3.43Å; K132-A135 WeakPolarHBondContact O-CB 3.23Å; K132-A135 PolarHBondContact O-N 3.5Å
133	E	87.7	Confident	82.7	Confident	122 Å²	122	50 Å²	50	57%	0.57	25%	0.248	S	C	*	.	G	3₁₀ helix	trans	-69.3	-25.3	-179.7	-61.7	-179.2	-151.2	0	0	111.6	D130 I131	D130-E133 HydrophobicContact CB-CG 4.39Å; D130-E133 WeakPolarHBondContact O-CB 3.39Å; D130-E133 PolarHBondContact O-N 3.08Å; I131-E133 PolarHBondContact O-N 2.8Å
134	Y	87.3	Confident	82.2	Confident	17 Å²	17	53.6 Å²	53.6	7%	0.067	26%	0.256	C	S	.	.	G	3₁₀ helix	trans	-88.5	-0.1	178.8	-71.9	-81.5	0	0	0	114.1	Y109 P111 R129 I131 K132 K136 D137 F138	Y109-Y134 AromaticContact CD1-CD1 3.81Å; Y109-Y134 HydrophobicContact CD1-CD1 3.81Å; Y109-Y134 AromaticContact CD1-CD2 3.56Å; Y109-Y134 HydrophobicContact CD1-CD2 3.56Å; Y109-Y134 HydrophobicContact CD1-CE1 4.03Å; Y109-Y134 AromaticContact CD1-CE2 3.74Å; Y109-Y134 HydrophobicContact CD1-CE2 3.74Å; Y109-Y134 AromaticContact CD1-CG 3.56Å; Y109-Y134 HydrophobicContact CD1-CG 3.56Å; Y109-Y134 AromaticContact CD1-CZ 4Å; Y109-Y134 AromaticContact CE1-CD1 3.98Å; Y109-Y134 HydrophobicContact CE1-CD1 3.98Å; Y109-Y134 HydrophobicContact CE1-CE1 4.24Å; Y109-Y134 HydrophobicContact CE1-CG 4.12Å; Y109-Y134 HydrophobicContact CG-CD2 4.29Å; Y109-Y134 HydrophobicContact CG-CE2 4.49Å; Y109-Y134 VanDerWaalsContact O-CE2 3.28Å; Y109-Y134 WeakPolarHBondContact O-CE2 3.3Å; P111-Y134 HydrophobicContact CG-CE1 4.17Å; R129-Y134 HydrophobicContact CB-CD2 4.34Å; R129-Y134 HydrophobicContact CB-CE2 3.56Å; R129-Y134 HydrophobicContact CG-CE2 4.06Å; I131-Y134 PolarHBondContact O-N 3.21Å; I131-Y134 VanDerWaalsContact O-N 3.1Å; K132-Y134 PolarHBondContact O-N 3.43Å; Y134-K136 PolarHBondContact O-N 3.5Å; Y134-K136 VanDerWaalsContact O-N 3.16Å; Y134-D137 HydrophobicContact CD1-CB 4.13Å; Y134-D137 WeakPolarHBondContact CD1-OD2 3.15Å; Y134-D137 PolarHBondContact O-N 2.95Å; Y134-F138 VanDerWaalsContact CB-CE2 3.49Å; Y134-F138 WeakPolarHBondContact O-CD2 3.28Å; Y134-F138 WeakPolarHBondContact O-CG 3.43Å; Y134-F138 PolarHBondContact O-N 2.96Å
135	A	82.6	Confident	81.2	Confident	1 Å²	1	50.5 Å²	50.5	1%	0.008	24%	0.239	C	C	.	.	H	α-helix	trans	-53.7	-40.8	-178.1	0	0	0	0	0	112.8	L42 K132 Y139	L42-A135 HydrophobicContact CD1-CB 3.83Å; K132-A135 WeakPolarHBondContact O-CB 3.23Å; K132-A135 PolarHBondContact O-N 3.5Å; A135-Y139 PolarHBondContact O-N 3.1Å
136	K	81.9	Confident	79.8	Confident	106 Å²	106	49.5 Å²	49.5	46%	0.461	24%	0.237	S	C	.	.	H	α-helix	trans	-68.5	-42.6	175.6	179.7	173.9	167.5	-178.9	0	111.8	I30 Y134 Y139 E140	I30-K136 HydrophobicContact CD1-CD 3.97Å; I30-K136 HydrophobicContact CD1-CG 3.59Å; Y134-K136 PolarHBondContact O-N 3.5Å; Y134-K136 VanDerWaalsContact O-N 3.16Å; K136-Y139 PolarHBondContact O-N 3.03Å; K136-E140 WeakPolarHBondContact CE-OE1 3.33Å; K136-E140 HydrophobicContact CG-CG 4.42Å; K136-E140 IonicContact NZ-OE1 3.1Å; K136-E140 WeakPolarHBondContact O-CG 3.25Å; K136-E140 PolarHBondContact O-N 3.12Å
137	D	84.2	Confident	78.2	Confident	76 Å²	76	45.2 Å²	45.2	41%	0.406	21%	0.212	S	C	.	.	H	α-helix	trans	-66.1	-41.6	-178.5	-64.9	-16.2	0	0	0	111.4	Y134 Y139 E140 A141	Y134-D137 HydrophobicContact CD1-CB 4.13Å; Y134-D137 WeakPolarHBondContact CD1-OD2 3.15Å; Y134-D137 PolarHBondContact O-N 2.95Å; D137-Y139 VanDerWaalsContact C-N 3.3Å; D137-Y139 PolarHBondContact O-N 3.42Å; D137-E140 PolarHBondContact O-N 2.71Å; D137-A141 WeakPolarHBondContact O-CB 3.44Å; D137-A141 PolarHBondContact O-N 2.97Å
138	F	85	Confident	76.5	Confident	2 Å²	2	46.9 Å²	46.9	1%	0.009	21%	0.212	C	C	.	.	H	α-helix	trans	-58.1	-44.2	172.3	-67.7	-51.6	0	0	0	111.5	Y109 I131 Y134 F142 F158 E173 V174	Y109-F138 HydrophobicContact CD1-CE1 4.22Å; Y109-F138 AromaticContact CD1-CZ 3.74Å; Y109-F138 HydrophobicContact CD1-CZ 3.74Å; Y109-F138 HydrophobicContact CD2-CE1 4.5Å; Y109-F138 HydrophobicContact CD2-CZ 4.08Å; Y109-F138 AromaticContact CE1-CE1 3.68Å; Y109-F138 HydrophobicContact CE1-CE1 3.68Å; Y109-F138 AromaticContact CE1-CZ 3.69Å; Y109-F138 HydrophobicContact CE1-CZ 3.69Å; Y109-F138 AromaticContact CE2-CE1 3.98Å; Y109-F138 HydrophobicContact CE2-CE1 3.98Å; Y109-F138 HydrophobicContact CE2-CZ 4.02Å; Y109-F138 AromaticContact CG-CZ 3.9Å; Y109-F138 HydrophobicContact CG-CZ 3.9Å; Y109-F138 AromaticContact CZ-CE1 3.54Å; Y109-F138 AromaticContact CZ-CZ 3.83Å; I131-F138 HydrophobicContact CG1-CE2 3.81Å; I131-F138 HydrophobicContact CG1-CZ 4.25Å; Y134-F138 VanDerWaalsContact CB-CE2 3.49Å; Y134-F138 WeakPolarHBondContact O-CD2 3.28Å; Y134-F138 WeakPolarHBondContact O-CG 3.43Å; Y134-F138 PolarHBondContact O-N 2.96Å; F138-F142 VanDerWaalsContact O-CB 3.23Å; F138-F142 WeakPolarHBondContact O-CB 3.42Å; F138-F142 PolarHBondContact O-N 3.12Å; F138-F158 HydrophobicContact CB-CE2 4.39Å; F138-F158 HydrophobicContact CD1-CZ 4.19Å; F138-F158 HydrophobicContact CD2-CD2 4.45Å; F138-F158 AromaticContact CD2-CE2 3.46Å; F138-F158 HydrophobicContact CD2-CE2 3.46Å; F138-F158 VanDerWaalsContact CD2-CE2 3.46Å; F138-F158 AromaticContact CD2-CZ 3.55Å; F138-F158 HydrophobicContact CD2-CZ 3.55Å; F138-F158 HydrophobicContact CE1-CZ 4.14Å; F138-F158 HydrophobicContact CE2-CE1 4.18Å; F138-F158 AromaticContact CE2-CE2 3.82Å; F138-F158 HydrophobicContact CE2-CE2 3.82Å; F138-F158 AromaticContact CE2-CZ 3.49Å; F138-F158 HydrophobicContact CE2-CZ 3.49Å; F138-F158 VanDerWaalsContact CE2-CZ 3.49Å; F138-F158 AromaticContact CG-CE2 3.93Å; F138-F158 HydrophobicContact CG-CE2 3.93Å; F138-F158 AromaticContact CG-CZ 3.93Å; F138-F158 HydrophobicContact CG-CZ 3.93Å; F138-F158 HydrophobicContact CZ-CE1 4.36Å; F138-F158 AromaticContact CZ-CZ 3.81Å; F138-F158 HydrophobicContact CZ-CZ 3.81Å; F138-E173 VanDerWaalsContact CD1-O 3.25Å; F138-E173 WeakPolarHBondContact CD1-O 3.38Å; F138-V174 HydrophobicContact CD1-CG1 4.27Å
139	Y	77	Confident	74.7	Confident	15 Å²	15	46.5 Å²	46.5	6%	0.059	21%	0.211	C	C	.	.	H	α-helix	trans	-66.4	-44.5	177.5	-176.2	-95.1	0	0	0	112.1	A12 I30 A135 K136 D137 F142 M143 P155	A12-Y139 HydrophobicContact CB-CE2 3.91Å; A12-Y139 PolarHBondContact O-OH 2.81Å; I30-Y139 HydrophobicContact CD1-CD1 4.17Å; I30-Y139 HydrophobicContact CG1-CD1 4.19Å; I30-Y139 HydrophobicContact CG1-CE1 4.21Å; I30-Y139 HydrophobicContact CG2-CD1 4.09Å; I30-Y139 HydrophobicContact CG2-CE1 4.12Å; A135-Y139 PolarHBondContact O-N 3.1Å; K136-Y139 PolarHBondContact O-N 3.03Å; D137-Y139 VanDerWaalsContact C-N 3.3Å; D137-Y139 PolarHBondContact O-N 3.42Å; Y139-F142 WeakPolarHBondContact O-CB 3.43Å; Y139-F142 PolarHBondContact O-N 2.89Å; Y139-M143 HydrophobicContact CD1-CG 4.11Å; Y139-M143 HydrophobicContact CE1-CG 3.74Å; Y139-M143 HydrophobicContact CE1-SD 4.48Å; Y139-M143 HydrophobicContact CE2-CG 4.46Å; Y139-M143 VanDerWaalsContact O-CG 3.23Å; Y139-M143 WeakPolarHBondContact O-CG 3.35Å; Y139-M143 PolarHBondContact O-N 3.01Å; Y139-P155 HydrophobicContact CD2-CB 4.07Å; Y139-P155 HydrophobicContact CD2-CG 3.98Å; Y139-P155 HydrophobicContact CE2-CB 4.39Å; Y139-P155 HydrophobicContact CE2-CG 3.79Å
140	E	76.2	Confident	72.9	Confident	60 Å²	60	40.1 Å²	40.1	28%	0.28	19%	0.188	S	C	.	.	H	α-helix	trans	-64.5	-41.4	176.8	-74.2	-170.2	-171.1	0	0	112.1	I30 K136 D137 M143 K144	I30-E140 HydrophobicContact CD1-CG 3.9Å; K136-E140 WeakPolarHBondContact CE-OE1 3.33Å; K136-E140 HydrophobicContact CG-CG 4.42Å; K136-E140 IonicContact NZ-OE1 3.1Å; K136-E140 WeakPolarHBondContact O-CG 3.25Å; K136-E140 PolarHBondContact O-N 3.12Å; D137-E140 PolarHBondContact O-N 2.71Å; E140-M143 PolarHBondContact O-N 3.24Å; E140-K144 WeakPolarHBondContact O-CB 3.43Å; E140-K144 VanDerWaalsContact O-CG 3.25Å; E140-K144 WeakPolarHBondContact O-CG 3.46Å; E140-K144 PolarHBondContact O-N 2.71Å; E140-K144 IonicContact OE2-NZ 3.74Å; E140-K144 PolarHBondContact OE2-NZ 2.95Å
141	A	76.5	Confident	71	Confident	6 Å²	6	40.3 Å²	40.3	5%	0.05	19%	0.192	C	C	.	.	H	α-helix	trans	-63	-44.1	175.3	0	0	0	0	0	111.2	D137 M143 K144 Q145 E173 H468	D137-A141 WeakPolarHBondContact O-CB 3.44Å; D137-A141 PolarHBondContact O-N 2.97Å; A141-M143 VanDerWaalsContact C-N 3.3Å; A141-M143 PolarHBondContact O-N 3.19Å; A141-K144 PolarHBondContact O-N 3.28Å; A141-Q145 WeakPolarHBondContact O-CG 3.4Å; A141-Q145 PolarHBondContact O-N 3.01Å; A141-E173 HydrophobicContact CB-CB 3.7Å; A141-H468 HydrophobicContact CB-CB 4.33Å
142	F	76	Confident	69.1	Low	14 Å²	14	43.8 Å²	43.8	6%	0.061	21%	0.207	C	C	.	.	H	α-helix	trans	-54.2	-45.3	171	171.3	-87	0	0	0	112	F138 Y139 R153 P155 E173	F138-F142 VanDerWaalsContact O-CB 3.23Å; F138-F142 WeakPolarHBondContact O-CB 3.42Å; F138-F142 PolarHBondContact O-N 3.12Å; Y139-F142 WeakPolarHBondContact O-CB 3.43Å; Y139-F142 PolarHBondContact O-N 2.89Å; F142-R153 HydrophobicContact CE2-CB 4.34Å; F142-R153 HydrophobicContact CE2-CG 3.83Å; F142-R153 VanDerWaalsContact CE2-NH1 3.29Å; F142-R153 HydrophobicContact CZ-CG 4.37Å; F142-R153 WeakPolarHBondContact CZ-O 3.28Å; F142-P155 HydrophobicContact CD1-CB 4.21Å; F142-P155 HydrophobicContact CD1-CG 3.77Å; F142-P155 HydrophobicContact CD2-CB 4.34Å; F142-P155 HydrophobicContact CE1-CB 4.36Å; F142-P155 HydrophobicContact CE1-CG 3.58Å; F142-P155 HydrophobicContact CE2-CB 4.46Å; F142-P155 HydrophobicContact CE2-CG 4.35Å; F142-P155 HydrophobicContact CG-CB 4.25Å; F142-P155 HydrophobicContact CG-CG 4.29Å; F142-P155 HydrophobicContact CZ-CB 4.5Å; F142-P155 HydrophobicContact CZ-CG 3.91Å; F142-E173 HydrophobicContact CB-CG 4.13Å
143	M	68.1	Low	68.1	Low	50 Å²	50	41.8 Å²	41.8	25%	0.246	20%	0.198	C	C	.	.	H	α-helix	trans	-74.7	-28.3	-179.3	-66.2	-61.7	-68.6	0	0	113.2	Y139 E140 A141 P261	Y139-M143 HydrophobicContact CD1-CG 4.11Å; Y139-M143 HydrophobicContact CE1-CG 3.74Å; Y139-M143 HydrophobicContact CE1-SD 4.48Å; Y139-M143 HydrophobicContact CE2-CG 4.46Å; Y139-M143 VanDerWaalsContact O-CG 3.23Å; Y139-M143 WeakPolarHBondContact O-CG 3.35Å; Y139-M143 PolarHBondContact O-N 3.01Å; E140-M143 PolarHBondContact O-N 3.24Å; A141-M143 VanDerWaalsContact C-N 3.3Å; A141-M143 PolarHBondContact O-N 3.19Å; M143-P261 HydrophobicContact CE-CG 3.62Å
144	K	64.4	Low	67.2	Low	130 Å²	130	38.9 Å²	38.9	57%	0.565	19%	0.189	S	C	*	.	H	α-helix	trans	-78.7	-25.6	176.3	-76.7	170.5	-172.8	161.7	0	112.8	E140 A141 I470	E140-K144 WeakPolarHBondContact O-CB 3.43Å; E140-K144 VanDerWaalsContact O-CG 3.25Å; E140-K144 WeakPolarHBondContact O-CG 3.46Å; E140-K144 PolarHBondContact O-N 2.71Å; E140-K144 IonicContact OE2-NZ 3.74Å; E140-K144 PolarHBondContact OE2-NZ 2.95Å; A141-K144 PolarHBondContact O-N 3.28Å; K144-I470 HydrophobicContact CB-CD1 4.3Å
145	Q	62.6	Low	66.5	Low	1 Å²	1	39.5 Å²	39.5	1%	0.005	20%	0.195	C	C	.	.	S	Bend	trans	-56.9	148.8	173.2	-83.9	174.9	33.4	0	0	110.5	A141 H147 T150 E173 H468	A141-Q145 WeakPolarHBondContact O-CG 3.4Å; A141-Q145 PolarHBondContact O-N 3.01Å; Q145-H147 PolarHBondContact O-N 2.9Å; Q145-H147 VanDerWaalsContact O-N 3.1Å; Q145-T150 HydrophobicContact CB-CG2 3.65Å; Q145-E173 PolarHBondContact NE2-OE2 2.85Å; Q145-H468 VanDerWaalsContact CD-O 3.28Å; Q145-H468 WeakPolarHBondContact CG-O 3.37Å; Q145-H468 PolarHBondContact NE2-O 3.03Å
146	S	52.1	Low	66.6	Low	24 Å²	24	39.4 Å²	39.4	17%	0.168	19%	0.194	C	C	.	.			trans	-53.4	125.9	-179.4	-168.5	0	0	0	0	109.1	R148 S149 T150	S146-R148 PolarHBondContact O-N 2.86Å; S146-R148 WeakPolarHBondContact OG-CB 3.46Å; S146-R148 WeakPolarHBondContact OG-CD 3.22Å; S146-R148 WeakPolarHBondContact OG-CG 3.49Å; S146-R148 PolarHBondContact OG-N 2.86Å; S146-S149 PolarHBondContact O-N 2.8Å; S146-S149 PolarHBondContact O-OG 3.03Å; S146-T150 PolarHBondContact O-N 3.18Å; S146-T150 PolarHBondContact O-OG1 3.23Å
147	H	51.6	Low	66.6	Low	62 Å²	62	37.8 Å²	37.8	29%	0.287	19%	0.189	S	C	.	.	H	α-helix	trans	-49.4	-22.2	170.5	-61.1	-61.6	0	0	0	112.2	Q145 T150 A151	Q145-H147 PolarHBondContact O-N 2.9Å; Q145-H147 VanDerWaalsContact O-N 3.1Å; H147-T150 WeakPolarHBondContact CA-OG1 2.85Å; H147-T150 PolarHBondContact O-N 3.16Å; H147-A151 WeakPolarHBondContact O-CB 3.3Å; H147-A151 PolarHBondContact O-N 2.99Å
148	R	50.3	Low	66.7	Low	66 Å²	66	34.6 Å²	34.6	25%	0.249	17%	0.172	C	C	.	.	H	α-helix	trans	-69.5	-30.2	176.4	-54.5	173.4	176.5	167	-2	114	S146 M209 E211	S146-R148 PolarHBondContact O-N 2.86Å; S146-R148 WeakPolarHBondContact OG-CB 3.46Å; S146-R148 WeakPolarHBondContact OG-CD 3.22Å; S146-R148 WeakPolarHBondContact OG-CG 3.49Å; S146-R148 PolarHBondContact OG-N 2.86Å; R148-M209 VanDerWaalsContact CZ-CE 3.41Å; R148-E211 IonicContact CZ-OE1 3.53Å; R148-E211 IonicContact NE-OE1 3.17Å; R148-E211 IonicContact NH2-OE1 3.67Å; R148-E211 PolarHBondContact NH2-OE1 2.82Å; R148-E211 VanDerWaalsContact NH2-OE1 3.1Å
149	S	50.9	Low	66.7	Low	6 Å²	6	36.2 Å²	36.2	4%	0.042	18%	0.182	C	C	.	.	H	α-helix	trans	-88.5	-30.6	171.6	61.2	0	0	0	0	111.9	S146	S146-S149 PolarHBondContact O-N 2.8Å; S146-S149 PolarHBondContact O-OG 3.03Å
150	T	51.3	Low	67	Low	12 Å²	12	35.6 Å²	35.6	7%	0.074	18%	0.18	C	C	.	.	H	α-helix	trans	-97.4	-5.4	-169.7	64.4	0	0	0	0	115.8	Q145 S146 H147 F152 R153	Q145-T150 HydrophobicContact CB-CG2 3.65Å; S146-T150 PolarHBondContact O-N 3.18Å; S146-T150 PolarHBondContact O-OG1 3.23Å; H147-T150 WeakPolarHBondContact CA-OG1 2.85Å; H147-T150 PolarHBondContact O-N 3.16Å; T150-F152 PolarHBondContact O-N 2.88Å; T150-R153 VanDerWaalsContact O-CG 3.32Å; T150-R153 WeakPolarHBondContact O-CG 3.3Å; T150-R153 PolarHBondContact O-N 2.86Å
151	A	50.6	Low	67	Low	23 Å²	23	37.4 Å²	37.4	19%	0.19	19%	0.188	C	C	.	.	T	Hydrogen-bonded Turn	trans	-49.7	-21	-171.1	0	0	0	0	0	116.3	H147 V258	H147-A151 WeakPolarHBondContact O-CB 3.3Å; H147-A151 PolarHBondContact O-N 2.99Å; A151-V258 PolarHBondContact O-N 2.98Å
152	F	50.4	Low	67.1	Low	80 Å²	80	40.5 Å²	40.5	35%	0.351	20%	0.203	S	C	.	.	T	Hydrogen-bonded Turn	trans	-122.4	14.3	-175.7	-54	-73	0	0	0	114.3	T150 A257	T150-F152 PolarHBondContact O-N 2.88Å; F152-A257 HydrophobicContact CD1-CB 3.88Å; F152-A257 HydrophobicContact CE1-CB 3.89Å
153	R	64	Low	67.3	Low	4 Å²	4	40 Å²	40	2%	0.015	20%	0.202	C	C	.	.			trans	-118.2	146.6	178.5	38.3	-169.2	-144.2	99.8	7.2	113.6	F85 F142 T150 E173 V258 E316	F85-R153 HydrophobicContact CD1-CB 3.66Å; F85-R153 HydrophobicContact CD1-CG 4.21Å; F85-R153 HydrophobicContact CE1-CB 3.37Å; F85-R153 VanDerWaalsContact CE1-CD 3.42Å; F85-R153 HydrophobicContact CE1-CG 3.49Å; F85-R153 VanDerWaalsContact CE1-CG 3.49Å; F85-R153 HydrophobicContact CZ-CB 4.48Å; F85-R153 HydrophobicContact CZ-CG 4.18Å; F142-R153 HydrophobicContact CE2-CB 4.34Å; F142-R153 HydrophobicContact CE2-CG 3.83Å; F142-R153 VanDerWaalsContact CE2-NH1 3.29Å; F142-R153 HydrophobicContact CZ-CG 4.37Å; F142-R153 WeakPolarHBondContact CZ-O 3.28Å; T150-R153 VanDerWaalsContact O-CG 3.32Å; T150-R153 WeakPolarHBondContact O-CG 3.3Å; T150-R153 PolarHBondContact O-N 2.86Å; R153-E173 IonicContact CZ-OE1 3.96Å; R153-E173 IonicContact CZ-OE2 3.79Å; R153-E173 VanDerWaalsContact CZ-OE2 3.27Å; R153-E173 VanDerWaalsContact NH1-CD 3.32Å; R153-E173 IonicContact NH1-OE1 3.89Å; R153-E173 PolarHBondContact NH1-OE1 2.85Å; R153-E173 IonicContact NH1-OE2 3.56Å; R153-E173 PolarHBondContact NH1-OE2 3.21Å; R153-E173 IonicContact NH2-OE1 2.68Å; R153-E173 IonicContact NH2-OE2 3.49Å; R153-E173 PolarHBondContact NH2-OE2 2.95Å; R153-V258 WeakPolarHBondContact O-CG2 3.46Å; R153-E316 IonicContact CZ-OE1 3.8Å; R153-E316 IonicContact CZ-OE2 2.85Å; R153-E316 IonicContact NE-OE1 2.62Å; R153-E316 IonicContact NE-OE2 3.21Å; R153-E316 PolarHBondContact NE-OE2 2.87Å; R153-E316 IonicContact NH2-OE1 3.57Å; R153-E316 IonicContact NH2-OE2 3.27Å
154	V	68.2	Low	68.2	Low	62 Å²	62	39.9 Å²	39.9	38%	0.376	20%	0.202	S	C	.	.	P	Polyproline II helix	trans	-81	153.6	157.8	-63.5	0	0	0	0	109.1	K169 V258	V154-K169 HydrophobicContact CG2-CB 4.18Å; V154-K169 HydrophobicContact CG2-CG 3.71Å; V154-V258 HydrophobicContact CG1-CG2 4.33Å
155	P	73.6	Confident	69.6	Low	29 Å²	29	33.8 Å²	33.8	19%	0.188	18%	0.176	C	C	.	.	P	Polyproline II helix	trans	-50.7	151.2	170.9	-28.3	35.5	0	0	0	113.1	W38 Y139 F142	W38-P155 HydrophobicContact CH2-CB 3.27Å; W38-P155 HydrophobicContact CH2-CG 4.48Å; W38-P155 HydrophobicContact CZ2-CB 3.67Å; W38-P155 HydrophobicContact CZ3-CB 4.39Å; Y139-P155 HydrophobicContact CD2-CB 4.07Å; Y139-P155 HydrophobicContact CD2-CG 3.98Å; Y139-P155 HydrophobicContact CE2-CB 4.39Å; Y139-P155 HydrophobicContact CE2-CG 3.79Å; F142-P155 HydrophobicContact CD1-CB 4.21Å; F142-P155 HydrophobicContact CD1-CG 3.77Å; F142-P155 HydrophobicContact CD2-CB 4.34Å; F142-P155 HydrophobicContact CE1-CB 4.36Å; F142-P155 HydrophobicContact CE1-CG 3.58Å; F142-P155 HydrophobicContact CE2-CB 4.46Å; F142-P155 HydrophobicContact CE2-CG 4.35Å; F142-P155 HydrophobicContact CG-CB 4.25Å; F142-P155 HydrophobicContact CG-CG 4.29Å; F142-P155 HydrophobicContact CZ-CB 4.5Å; F142-P155 HydrophobicContact CZ-CG 3.91Å
156	P	83.2	Confident	70.9	Confident	0 Å²	0	34.3 Å²	34.3	0%	0	18%	0.179	C	C	.	.	P	Polyproline II helix	trans	-71.1	136.8	-174.8	31.8	-37.3	0	0	0	111.1	W38 F158 I167 Y168 E173 V174	W38-P156 WeakPolarHBondContact CH2-O 3.43Å; W38-P156 WeakPolarHBondContact CZ3-O 3.38Å; P156-F158 HydrophobicContact CB-CE2 4.43Å; P156-F158 HydrophobicContact CG-CE2 4.34Å; P156-I167 HydrophobicContact CB-CG2 4.33Å; P156-Y168 CarbonylContact C-O 3.58Å; P156-Y168 VanDerWaalsContact CA-O 3.31Å; P156-Y168 WeakPolarHBondContact CA-O 3.49Å; P156-E173 WeakPolarHBondContact CD-OE1 3.34Å; P156-E173 HydrophobicContact CG-CG 3.72Å; P156-E173 WeakPolarHBondContact CG-OE1 3.26Å; P156-V174 HydrophobicContact CB-CG1 3.6Å; P156-V174 HydrophobicContact CG-CG1 3.66Å
157	M	82.1	Confident	72.7	Confident	71 Å²	71	33.1 Å²	33.1	35%	0.35	17%	0.171	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-114	133.4	178.7	-60.8	178.2	-64.7	0	0	110.4	W38 I167 Y168	W38-M157 HydrophobicContact CH2-CG 4.44Å; W38-M157 HydrophobicContact CZ2-CG 4.06Å; M157-I167 CarbonylContact O-C 3.12Å; M157-Y168 HydrophobicContact CB-CD2 4.39Å; M157-Y168 PolarHBondContact N-O 2.87Å; M157-Y168 PolarHBondContact O-N 3.16Å
158	F	87.2	Confident	74.4	Confident	10 Å²	10	35 Å²	35	4%	0.044	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105	137.7	-179.4	-60.3	-98	0	0	0	109.9	L42 I131 F138 P156 L165 V166 I167 V174	L42-F158 HydrophobicContact CD2-CB 3.38Å; L42-F158 HydrophobicContact CD2-CD2 4.26Å; L42-F158 HydrophobicContact CD2-CG 3.89Å; L42-F158 HydrophobicContact CG-CB 3.81Å; I131-F158 HydrophobicContact CD1-CD1 3.39Å; I131-F158 HydrophobicContact CD1-CE1 3.56Å; I131-F158 HydrophobicContact CD1-CG 4.18Å; I131-F158 HydrophobicContact CD1-CZ 4.43Å; I131-F158 HydrophobicContact CG1-CD1 4.37Å; I131-F158 HydrophobicContact CG1-CE1 4.39Å; F138-F158 HydrophobicContact CB-CE2 4.39Å; F138-F158 HydrophobicContact CD1-CZ 4.19Å; F138-F158 HydrophobicContact CD2-CD2 4.45Å; F138-F158 AromaticContact CD2-CE2 3.46Å; F138-F158 HydrophobicContact CD2-CE2 3.46Å; F138-F158 VanDerWaalsContact CD2-CE2 3.46Å; F138-F158 AromaticContact CD2-CZ 3.55Å; F138-F158 HydrophobicContact CD2-CZ 3.55Å; F138-F158 HydrophobicContact CE1-CZ 4.14Å; F138-F158 HydrophobicContact CE2-CE1 4.18Å; F138-F158 AromaticContact CE2-CE2 3.82Å; F138-F158 HydrophobicContact CE2-CE2 3.82Å; F138-F158 AromaticContact CE2-CZ 3.49Å; F138-F158 HydrophobicContact CE2-CZ 3.49Å; F138-F158 VanDerWaalsContact CE2-CZ 3.49Å; F138-F158 AromaticContact CG-CE2 3.93Å; F138-F158 HydrophobicContact CG-CE2 3.93Å; F138-F158 AromaticContact CG-CZ 3.93Å; F138-F158 HydrophobicContact CG-CZ 3.93Å; F138-F158 HydrophobicContact CZ-CE1 4.36Å; F138-F158 AromaticContact CZ-CZ 3.81Å; F138-F158 HydrophobicContact CZ-CZ 3.81Å; P156-F158 HydrophobicContact CB-CE2 4.43Å; P156-F158 HydrophobicContact CG-CE2 4.34Å; F158-L165 HydrophobicContact CD1-CD1 4.33Å; F158-V166 WeakPolarHBondContact CA-O 3.36Å; F158-I167 HydrophobicContact CD1-CB 4.31Å; F158-I167 HydrophobicContact CD1-CD1 4.21Å; F158-I167 HydrophobicContact CD1-CG1 3.72Å; F158-I167 HydrophobicContact CD1-CG2 3.98Å; F158-I167 HydrophobicContact CE1-CB 4.31Å; F158-I167 HydrophobicContact CE1-CD1 3.76Å; F158-I167 HydrophobicContact CE1-CG1 3.74Å; F158-I167 HydrophobicContact CE1-CG2 3.69Å; F158-I167 HydrophobicContact CZ-CG2 4.06Å; F158-V174 HydrophobicContact CE1-CG1 4.27Å; F158-V174 HydrophobicContact CE2-CG1 4.28Å; F158-V174 HydrophobicContact CZ-CB 4.17Å; F158-V174 HydrophobicContact CZ-CG1 3.54Å
159	T	84.1	Confident	75.9	Confident	35 Å²	35	36.4 Å²	36.4	22%	0.215	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.4	154.6	167.3	-168.3	0	0	0	0	109	V166 Y168	T159-V166 HydrophobicContact CG2-CB 3.72Å; T159-V166 HydrophobicContact CG2-CG1 4.49Å; T159-V166 HydrophobicContact CG2-CG2 4.36Å; T159-V166 PolarHBondContact N-O 2.86Å; T159-V166 PolarHBondContact O-N 3.23Å; T159-Y168 HydrophobicContact CG2-CD2 4.33Å; T159-Y168 HydrophobicContact CG2-CE2 3.41Å; T159-Y168 VanDerWaalsContact CG2-CE2 3.41Å
160	Q	84.3	Confident	77.6	Confident	3 Å²	3	36.1 Å²	36.1	1%	0.014	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.4	130.3	172.3	-178.3	-178.6	-16	0	0	108	A43 P44 Y63 K105 L164	A43-Q160 PolarHBondContact O-OE1 3.33Å; P44-Q160 VanDerWaalsContact CD-OE1 3.26Å; Y63-Q160 HydrophobicContact CD1-CB 4.25Å; Y63-Q160 HydrophobicContact CD1-CG 3.85Å; Y63-Q160 HydrophobicContact CE1-CB 3.91Å; Y63-Q160 HydrophobicContact CE1-CG 4.01Å; Y63-Q160 WeakPolarHBondContact CE1-O 3.47Å; K105-Q160 PolarHBondContact O-NE2 3.33Å; Q160-L164 CarbonylContact C-O 3.38Å; Q160-L164 VanDerWaalsContact CA-O 3.24Å; Q160-L164 WeakPolarHBondContact CA-O 3.3Å
161	Q	75.3	Confident	79.1	Confident	98 Å²	98	35.6 Å²	35.6	46%	0.458	18%	0.179	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-156.5	137.9	179.6	-162.8	-173.7	-40.3	0	0	110	G163 L164	Q161-G163 PolarHBondContact O-N 2.83Å; Q161-L164 PolarHBondContact N-O 3.24Å; Q161-L164 WeakPolarHBondContact O-CA 3.23Å; Q161-L164 WeakPolarHBondContact O-CB 3.42Å; Q161-L164 PolarHBondContact O-N 3.18Å
162	D	79.6	Confident	80.6	Confident	70 Å²	70	34.5 Å²	34.5	37%	0.374	17%	0.17	S	C	.	.	T	Hydrogen-bonded Turn	trans	54.8	38.9	172.8	-57.7	-49.6	0	0	0	112.9	Q62 L164	Q62-D162 VanDerWaalsContact NE2-CG 3.26Å; Q62-D162 PolarHBondContact NE2-OD1 3.31Å; Q62-D162 PolarHBondContact NE2-OD2 3.15Å; D162-L164 PolarHBondContact O-N 3.25Å
163	G	78.8	Confident	82.2	Confident	3 Å²	3	30.7 Å²	30.7	3%	0.031	15%	0.153	C	C	.	.	T	Hydrogen-bonded Turn	trans	72.2	5.6	-176.8	0	0	0	0	0	115.2	Q65 C92 Q161	Q65-G163 WeakPolarHBondContact O-CA 3.26Å; C92-G163 WeakPolarHBondContact CB-O 3.31Å; C92-G163 PolarHBondContact N-O 2.79Å; Q161-G163 PolarHBondContact O-N 2.83Å
164	L	88.7	Confident	83.4	Confident	48 Å²	48	30.5 Å²	30.5	25%	0.251	15%	0.152	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.6	138	175.6	-55.8	176.8	0	0	0	110.8	I90 P91 Q160 Q161 D162 V166	I90-L164 WeakPolarHBondContact O-CA 3.44Å; P91-L164 HydrophobicContact CB-CD2 3.66Å; Q160-L164 CarbonylContact C-O 3.38Å; Q160-L164 VanDerWaalsContact CA-O 3.24Å; Q160-L164 WeakPolarHBondContact CA-O 3.3Å; Q161-L164 PolarHBondContact N-O 3.24Å; Q161-L164 WeakPolarHBondContact O-CA 3.23Å; Q161-L164 WeakPolarHBondContact O-CB 3.42Å; Q161-L164 PolarHBondContact O-N 3.18Å; D162-L164 PolarHBondContact O-N 3.25Å; L164-V166 HydrophobicContact CB-CG2 4.17Å
165	L	92.1	Very high	84.3	Confident	3 Å²	3	27.5 Å²	27.5	2%	0.016	13%	0.134	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.5	120.9	155.8	176	65.7	0	0	0	108.3	E89 I90 W107 I131 F158 I167 Y178	E89-L165 WeakPolarHBondContact CA-O 3.45Å; I90-L165 HydrophobicContact CB-CB 4.32Å; I90-L165 HydrophobicContact CD1-CD2 4.29Å; I90-L165 PolarHBondContact N-O 2.89Å; I90-L165 PolarHBondContact O-N 3.23Å; W107-L165 HydrophobicContact CB-CD2 4.21Å; W107-L165 HydrophobicContact CD2-CB 3.75Å; W107-L165 HydrophobicContact CD2-CD2 3.78Å; W107-L165 HydrophobicContact CD2-CG 4.31Å; W107-L165 HydrophobicContact CE3-CB 4.37Å; W107-L165 HydrophobicContact CE3-CD2 3.93Å; W107-L165 HydrophobicContact CG-CB 4.04Å; W107-L165 HydrophobicContact CG-CD1 4.31Å; W107-L165 HydrophobicContact CG-CD2 3.89Å; W107-L165 HydrophobicContact CG-CG 4.32Å; W107-L165 HydrophobicContact CH2-CB 4.33Å; W107-L165 HydrophobicContact CZ2-CB 3.72Å; I131-L165 HydrophobicContact CD1-CD1 4.22Å; I131-L165 HydrophobicContact CD1-CD2 3.88Å; F158-L165 HydrophobicContact CD1-CD1 4.33Å; L165-I167 HydrophobicContact CG-CG1 4.27Å; L165-Y178 HydrophobicContact CD2-CD1 3.79Å; L165-Y178 HydrophobicContact CD2-CE1 4.07Å
166	V	90.6	Very high	85	Confident	11 Å²	11	26.1 Å²	26.1	7%	0.067	13%	0.125	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.9	121	176.5	-173.6	0	0	0	0	109.4	A87 V88 E89 F158 T159 L164 Y168	A87-V166 HydrophobicContact CB-CG1 4.38Å; V88-V166 CarbonylContact O-C 3.33Å; V88-V166 VanDerWaalsContact O-CA 3.29Å; V88-V166 WeakPolarHBondContact O-CA 3.34Å; E89-V166 HydrophobicContact CG-CG1 4.18Å; E89-V166 HydrophobicContact CG-CG2 4.1Å; F158-V166 WeakPolarHBondContact CA-O 3.36Å; T159-V166 HydrophobicContact CG2-CB 3.72Å; T159-V166 HydrophobicContact CG2-CG1 4.49Å; T159-V166 HydrophobicContact CG2-CG2 4.36Å; T159-V166 PolarHBondContact N-O 2.86Å; T159-V166 PolarHBondContact O-N 3.23Å; L164-V166 HydrophobicContact CB-CG2 4.17Å; V166-Y168 HydrophobicContact CB-CE2 4.48Å; V166-Y168 HydrophobicContact CG1-CD1 4.3Å; V166-Y168 HydrophobicContact CG1-CD2 4.4Å; V166-Y168 HydrophobicContact CG1-CE1 3.88Å; V166-Y168 HydrophobicContact CG1-CE2 4.03Å
167	I	91	Very high	85.3	Confident	0 Å²	0	26.2 Å²	26.2	0%	0	13%	0.126	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.3	99	176.3	-43.9	176	0	0	0	108.3	A87 V88 I90 P156 M157 F158 L165 A170 V174 Y178 L195	A87-I167 CarbonylContact C-O 3.38Å; A87-I167 VanDerWaalsContact CA-O 3.3Å; A87-I167 WeakPolarHBondContact CA-O 3.39Å; V88-I167 HydrophobicContact CB-CB 4.3Å; V88-I167 PolarHBondContact N-O 2.85Å; V88-I167 PolarHBondContact O-N 2.96Å; I90-I167 HydrophobicContact CD1-CD1 4.04Å; P156-I167 HydrophobicContact CB-CG2 4.33Å; M157-I167 CarbonylContact O-C 3.12Å; F158-I167 HydrophobicContact CD1-CB 4.31Å; F158-I167 HydrophobicContact CD1-CD1 4.21Å; F158-I167 HydrophobicContact CD1-CG1 3.72Å; F158-I167 HydrophobicContact CD1-CG2 3.98Å; F158-I167 HydrophobicContact CE1-CB 4.31Å; F158-I167 HydrophobicContact CE1-CD1 3.76Å; F158-I167 HydrophobicContact CE1-CG1 3.74Å; F158-I167 HydrophobicContact CE1-CG2 3.69Å; F158-I167 HydrophobicContact CZ-CG2 4.06Å; L165-I167 HydrophobicContact CG-CG1 4.27Å; I167-A170 HydrophobicContact CB-CB 4.31Å; I167-A170 HydrophobicContact CG2-CB 3.94Å; I167-V174 HydrophobicContact CD1-CB 4.48Å; I167-V174 HydrophobicContact CD1-CG2 4.37Å; I167-V174 HydrophobicContact CG2-CB 4.32Å; I167-V174 HydrophobicContact CG2-CG1 4.01Å; I167-V174 HydrophobicContact CG2-CG2 4.12Å; I167-Y178 HydrophobicContact CD1-CE1 4.43Å; I167-L195 HydrophobicContact CD1-CD2 3.65Å
168	Y	85.5	Confident	85.8	Confident	102 Å²	102	22.9 Å²	22.9	40%	0.4	11%	0.109	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.8	139	174.3	-61.1	-77.2	0	0	0	110.7	A87 P156 M157 T159 V166 A170	A87-Y168 HydrophobicContact CB-CD1 4.1Å; P156-Y168 CarbonylContact C-O 3.58Å; P156-Y168 VanDerWaalsContact CA-O 3.31Å; P156-Y168 WeakPolarHBondContact CA-O 3.49Å; M157-Y168 HydrophobicContact CB-CD2 4.39Å; M157-Y168 PolarHBondContact N-O 2.87Å; M157-Y168 PolarHBondContact O-N 3.16Å; T159-Y168 HydrophobicContact CG2-CD2 4.33Å; T159-Y168 HydrophobicContact CG2-CE2 3.41Å; T159-Y168 VanDerWaalsContact CG2-CE2 3.41Å; V166-Y168 HydrophobicContact CB-CE2 4.48Å; V166-Y168 HydrophobicContact CG1-CD1 4.3Å; V166-Y168 HydrophobicContact CG1-CD2 4.4Å; V166-Y168 HydrophobicContact CG1-CE1 3.88Å; V166-Y168 HydrophobicContact CG1-CE2 4.03Å; Y168-A170 PolarHBondContact O-N 2.9Å
169	K	82.2	Confident	86.1	Confident	95 Å²	95	22.8 Å²	22.8	41%	0.413	11%	0.109	S	C	.	.	T	Hydrogen-bonded Turn	trans	57.2	34.4	175.7	-52.8	-61.5	-177.7	-175.5	0	112.1	R86 V154 G171	R86-K169 PolarHBondContact O-N 2.99Å; V154-K169 HydrophobicContact CG2-CB 4.18Å; V154-K169 HydrophobicContact CG2-CG 3.71Å; K169-G171 PolarHBondContact O-N 3.28Å
170	A	86.5	Confident	86.5	Confident	0 Å²	0	21.6 Å²	21.6	0%	0	10%	0.103	C	C	.	.			trans	-50.6	125.8	176	0	0	0	0	0	110	Y82 P84 F85 R86 V88 I167 Y168 V174	Y82-A170 HydrophobicContact CD2-CB 3.78Å; Y82-A170 HydrophobicContact CE2-CB 3.55Å; P84-A170 CarbonylContact C-O 3.55Å; P84-A170 VanDerWaalsContact CA-O 3.29Å; P84-A170 WeakPolarHBondContact CA-O 3.42Å; F85-A170 PolarHBondContact N-O 3.4Å; R86-A170 PolarHBondContact O-N 2.76Å; V88-A170 HydrophobicContact CB-CB 4.5Å; V88-A170 HydrophobicContact CG2-CB 3.53Å; I167-A170 HydrophobicContact CB-CB 4.31Å; I167-A170 HydrophobicContact CG2-CB 3.94Å; Y168-A170 PolarHBondContact O-N 2.9Å; A170-V174 HydrophobicContact CB-CG2 3.67Å
171	G	83.9	Confident	86.8	Confident	0 Å²	0	22.5 Å²	22.5	0%	0	11%	0.106	C	C	.	.			trans	-119.8	-164.2	170.4	0	0	0	0	0	111	Y82 K169 E173 V174 E316	Y82-G171 PolarHBondContact OH-O 2.94Å; K169-G171 PolarHBondContact O-N 3.28Å; G171-E173 PolarHBondContact N-OE1 3.22Å; G171-E173 PolarHBondContact O-N 2.92Å; G171-V174 WeakPolarHBondContact O-CG2 3.28Å; G171-V174 PolarHBondContact O-N 3.41Å; G171-E316 WeakPolarHBondContact CA-OE1 3.36Å
172	L	81.8	Confident	87.6	Confident	0 Å²	0	17.9 Å²	17.9	0%	0	8%	0.084	C	C	.	.	G	3₁₀ helix	trans	-63.6	-21.7	-179	-69.1	155.1	0	0	0	114.5	V174 Q175 A197 A199 P314 E316 S457	L172-V174 VanDerWaalsContact C-N 3.27Å; L172-V174 PolarHBondContact O-N 3.18Å; L172-Q175 WeakPolarHBondContact O-CG 3.31Å; L172-Q175 PolarHBondContact O-N 2.85Å; L172-Q175 PolarHBondContact O-NE2 3.01Å; L172-A197 HydrophobicContact CD2-CB 3.94Å; L172-A199 HydrophobicContact CD2-CB 3.87Å; L172-A199 HydrophobicContact CG-CB 4.4Å; L172-P314 HydrophobicContact CD1-CB 3.91Å; L172-P314 HydrophobicContact CD1-CG 3.58Å; L172-P314 HydrophobicContact CD2-CB 4.12Å; L172-P314 HydrophobicContact CD2-CG 4.28Å; L172-E316 HydrophobicContact CD1-CG 3.48Å; L172-E316 VanDerWaalsContact CD1-CG 3.48Å; L172-E316 HydrophobicContact CG-CG 3.83Å; L172-E316 WeakPolarHBondContact CG-OE1 3.33Å; L172-E316 PolarHBondContact N-OE1 3.31Å; L172-S457 VanDerWaalsContact CD2-OG 3.3Å; L172-S457 WeakPolarHBondContact CD2-OG 3.36Å
173	E	84.2	Confident	88	Confident	0 Å²	0	20.7 Å²	20.7	0%	0	10%	0.095	C	C	.	.	G	3₁₀ helix	trans	-71.8	-22.4	-177	64.9	-72.6	174.6	0	0	112.7	F138 A141 F142 Q145 R153 P156 G171 H468	F138-E173 VanDerWaalsContact CD1-O 3.25Å; F138-E173 WeakPolarHBondContact CD1-O 3.38Å; A141-E173 HydrophobicContact CB-CB 3.7Å; F142-E173 HydrophobicContact CB-CG 4.13Å; Q145-E173 PolarHBondContact NE2-OE2 2.85Å; R153-E173 IonicContact CZ-OE1 3.96Å; R153-E173 IonicContact CZ-OE2 3.79Å; R153-E173 VanDerWaalsContact CZ-OE2 3.27Å; R153-E173 VanDerWaalsContact NH1-CD 3.32Å; R153-E173 IonicContact NH1-OE1 3.89Å; R153-E173 PolarHBondContact NH1-OE1 2.85Å; R153-E173 IonicContact NH1-OE2 3.56Å; R153-E173 PolarHBondContact NH1-OE2 3.21Å; R153-E173 IonicContact NH2-OE1 2.68Å; R153-E173 IonicContact NH2-OE2 3.49Å; R153-E173 PolarHBondContact NH2-OE2 2.95Å; P156-E173 WeakPolarHBondContact CD-OE1 3.34Å; P156-E173 HydrophobicContact CG-CG 3.72Å; P156-E173 WeakPolarHBondContact CG-OE1 3.26Å; G171-E173 PolarHBondContact N-OE1 3.22Å; G171-E173 PolarHBondContact O-N 2.92Å; E173-H468 WeakPolarHBondContact CA-ND1 3.46Å; E173-H468 PolarHBondContact O-CE1 3.39Å; E173-H468 PolarHBondContact O-ND1 2.95Å
174	V	88.6	Confident	88.5	Confident	0 Å²	0	23.6 Å²	23.6	0%	0	12%	0.115	C	C	.	.	G	3₁₀ helix	trans	-95	8	-179.6	-48.6	0	0	0	0	112.6	Y82 F138 P156 F158 I167 A170 G171 L172 Y178 L195	Y82-V174 HydrophobicContact CE2-CG2 4.28Å; Y82-V174 WeakPolarHBondContact OH-CG2 3.43Å; F138-V174 HydrophobicContact CD1-CG1 4.27Å; P156-V174 HydrophobicContact CB-CG1 3.6Å; P156-V174 HydrophobicContact CG-CG1 3.66Å; F158-V174 HydrophobicContact CE1-CG1 4.27Å; F158-V174 HydrophobicContact CE2-CG1 4.28Å; F158-V174 HydrophobicContact CZ-CB 4.17Å; F158-V174 HydrophobicContact CZ-CG1 3.54Å; I167-V174 HydrophobicContact CD1-CB 4.48Å; I167-V174 HydrophobicContact CD1-CG2 4.37Å; I167-V174 HydrophobicContact CG2-CB 4.32Å; I167-V174 HydrophobicContact CG2-CG1 4.01Å; I167-V174 HydrophobicContact CG2-CG2 4.12Å; A170-V174 HydrophobicContact CB-CG2 3.67Å; G171-V174 WeakPolarHBondContact O-CG2 3.28Å; G171-V174 PolarHBondContact O-N 3.41Å; L172-V174 VanDerWaalsContact C-N 3.27Å; L172-V174 PolarHBondContact O-N 3.18Å; V174-Y178 WeakPolarHBondContact O-CE2 3.11Å; V174-Y178 PolarHBondContact O-OH 3.12Å; V174-L195 HydrophobicContact CG2-CD2 4.32Å
175	Q	87.4	Confident	88.4	Confident	0 Å²	0	22.9 Å²	22.9	0%	0	11%	0.113	C	C	.	.			trans	-70.3	133.9	173.8	-65.9	-172.1	107.9	0	0	110.7	Y82 Y109 L112 L172 L195 A197 S457 D461 G467	Y82-Q175 HydrophobicContact CE1-CG 4.43Å; Y82-Q175 VanDerWaalsContact OH-CG 3.28Å; Y82-Q175 WeakPolarHBondContact OH-CG 3.48Å; Y109-Q175 PolarHBondContact OH-O 2.73Å; L112-Q175 HydrophobicContact CD1-CB 4.33Å; L172-Q175 WeakPolarHBondContact O-CG 3.31Å; L172-Q175 PolarHBondContact O-N 2.85Å; L172-Q175 PolarHBondContact O-NE2 3.01Å; Q175-L195 WeakPolarHBondContact CA-O 3.36Å; Q175-A197 HydrophobicContact CG-CB 4.03Å; Q175-S457 PolarHBondContact NE2-OG 2.77Å; Q175-S457 PolarHBondContact OE1-OG 2.96Å; Q175-D461 PolarHBondContact NE2-OD2 3.04Å; Q175-G467 PolarHBondContact NE2-O 3.48Å
176	G	88.1	Confident	88.2	Confident	0 Å²	0	27.5 Å²	27.5	0%	0	13%	0.134	C	C	.	.	E	Extended strand (participates in β ladder)	trans	163	-170.1	-178.3	0	0	0	0	0	113	L195	G176-L195 PolarHBondContact N-O 3.46Å; G176-L195 PolarHBondContact O-N 3.4Å
177	V	89.7	Confident	88.1	Confident	2 Å²	2	33.8 Å²	33.8	1%	0.012	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.2	126.3	-179.4	-172.1	0	0	0	0	108.9	Y109 L110 W122 F128 A192 Y193 L194	Y109-V177 CarbonylContact C-O 3.55Å; Y109-V177 WeakPolarHBondContact CA-O 3.17Å; L110-V177 HydrophobicContact CB-CB 4.19Å; L110-V177 PolarHBondContact N-O 3.1Å; L110-V177 PolarHBondContact O-N 2.9Å; W122-V177 HydrophobicContact CB-CG1 4.19Å; F128-V177 HydrophobicContact CE1-CB 4.18Å; F128-V177 HydrophobicContact CE1-CG1 3.92Å; F128-V177 HydrophobicContact CZ-CB 4.15Å; F128-V177 HydrophobicContact CZ-CG1 3.66Å; V177-A192 HydrophobicContact CG1-CB 3.53Å; V177-Y193 CarbonylContact C-O 3.5Å; V177-Y193 VanDerWaalsContact CA-O 3.26Å; V177-Y193 WeakPolarHBondContact CA-O 3.31Å; V177-L194 HydrophobicContact CG2-CD1 4.06Å
178	Y	93.2	Very high	87.9	Confident	0 Å²	0	37.7 Å²	37.7	0%	0	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.9	131.3	-178.9	-68.7	-92.3	0	0	0	109.8	I90 R108 Y109 I131 L165 I167 V174 A192 Y193 L195	I90-Y178 HydrophobicContact CD1-CD2 4.38Å; I90-Y178 HydrophobicContact CD1-CG 4.34Å; R108-Y178 WeakPolarHBondContact O-CA 3.08Å; Y109-Y178 HydrophobicContact CD2-CD1 4.03Å; Y109-Y178 HydrophobicContact CD2-CD2 4.24Å; Y109-Y178 AromaticContact CD2-CE1 3.48Å; Y109-Y178 HydrophobicContact CD2-CE1 3.48Å; Y109-Y178 VanDerWaalsContact CD2-CE1 3.48Å; Y109-Y178 AromaticContact CD2-CE2 3.74Å; Y109-Y178 HydrophobicContact CD2-CE2 3.74Å; Y109-Y178 HydrophobicContact CD2-CG 4.38Å; Y109-Y178 AromaticContact CD2-CZ 3.32Å; Y109-Y178 HydrophobicContact CE2-CE1 4.22Å; Y109-Y178 AromaticContact CE2-CE2 3.83Å; Y109-Y178 HydrophobicContact CE2-CE2 3.83Å; Y109-Y178 AromaticContact CE2-CZ 3.59Å; Y109-Y178 WeakPolarHBondContact CE2-OH 3.25Å; Y109-Y178 HydrophobicContact CG-CE1 4.23Å; I131-Y178 HydrophobicContact CD1-CD1 4.22Å; I131-Y178 HydrophobicContact CD1-CE1 3.63Å; I131-Y178 HydrophobicContact CG1-CE1 4.42Å; L165-Y178 HydrophobicContact CD2-CD1 3.79Å; L165-Y178 HydrophobicContact CD2-CE1 4.07Å; I167-Y178 HydrophobicContact CD1-CE1 4.43Å; V174-Y178 WeakPolarHBondContact O-CE2 3.11Å; V174-Y178 PolarHBondContact O-OH 3.12Å; Y178-A192 CarbonylContact O-C 3.59Å; Y178-A192 WeakPolarHBondContact O-CA 3.41Å; Y178-Y193 PolarHBondContact N-O 3.4Å; Y178-Y193 PolarHBondContact O-N 3.26Å; Y178-L195 HydrophobicContact CD2-CB 3.87Å; Y178-L195 HydrophobicContact CD2-CD2 4.44Å; Y178-L195 HydrophobicContact CE2-CB 3.77Å; Y178-L195 HydrophobicContact CE2-CD2 3.87Å; Y178-L195 HydrophobicContact CE2-CG 4.44Å
179	N	92.8	Very high	87.9	Confident	8 Å²	8	33.4 Å²	33.4	4%	0.043	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.1	139.6	169.3	165.6	-98.7	0	0	0	110	R108 F128 I189 W191	R108-N179 HydrophobicContact CG-CB 4.07Å; R108-N179 WeakPolarHBondContact CG-O 3.47Å; R108-N179 PolarHBondContact N-O 2.94Å; R108-N179 PolarHBondContact NE-OD1 3.48Å; R108-N179 PolarHBondContact NH2-OD1 3.39Å; R108-N179 PolarHBondContact O-N 3.03Å; F128-N179 HydrophobicContact CE1-CB 4.37Å; N179-I189 HydrophobicContact CB-CG2 4.19Å; N179-W191 PolarHBondContact ND2-O 2.86Å
180	C	92.3	Very high	88	Confident	11 Å²	11	31.6 Å²	31.6	7%	0.074	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93	134.7	170	-168.6	0	0	0	0	109.9	C92 R106 W107	C92-C180 HydrophobicContact CB-CB 3.72Å; C92-C180 WeakPolarHBondContact CB-SG 3Å; C92-C180 WeakPolarHBondContact SG-CB 2.71Å; C92-C180 CovalentContact SG-SG 2.02Å; C92-C180 PolarHBondContact SG-SG 3.24Å; R106-C180 CarbonylContact O-C 3.51Å; R106-C180 WeakPolarHBondContact O-CA 3.34Å; W107-C180 HydrophobicContact CD2-CB 4.15Å; W107-C180 HydrophobicContact CE3-CB 4.09Å; W107-C180 HydrophobicContact CH2-CB 3.87Å; W107-C180 HydrophobicContact CZ2-CB 3.92Å; W107-C180 HydrophobicContact CZ3-CB 3.95Å
181	Y	91.4	Very high	87.8	Confident	21 Å²	21	32.2 Å²	32.2	8%	0.082	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.6	166.9	-178	73.3	-75.8	0	0	0	111.8	K105 R106 R108 Q186	K105-Y181 CarbonylContact C-O 3.58Å; K105-Y181 WeakPolarHBondContact CA-O 3.28Å; R106-Y181 HydrophobicContact CB-CD1 4.2Å; R106-Y181 HydrophobicContact CB-CE1 3.68Å; R106-Y181 HydrophobicContact CB-CE2 4.38Å; R106-Y181 PolarHBondContact N-O 3.48Å; R106-Y181 VanDerWaalsContact O-CD1 3.32Å; R106-Y181 WeakPolarHBondContact O-CD1 3.17Å; R106-Y181 PolarHBondContact O-N 3.01Å; R108-Y181 HydrophobicContact CB-CD1 4.12Å; R108-Y181 HydrophobicContact CB-CE1 3.71Å; R108-Y181 HydrophobicContact CG-CD1 3.77Å; R108-Y181 HydrophobicContact CG-CE1 3.89Å; Y181-Q186 HydrophobicContact CD2-CB 3.87Å; Y181-Q186 HydrophobicContact CD2-CG 4.03Å; Y181-Q186 HydrophobicContact CE2-CB 4.2Å; Y181-Q186 HydrophobicContact CE2-CG 3.9Å
182	D	90.8	Very high	88.1	Confident	2 Å²	2	32.3 Å²	32.3	1%	0.011	17%	0.169	C	C	.	.			trans	-133.6	180	168.3	62.8	60.5	0	0	0	109.9	N101 K103 M104 K105 S184 T185 Q186	N101-D182 PolarHBondContact ND2-OD1 3.48Å; N101-D182 PolarHBondContact ND2-OD2 2.02Å; K103-D182 HydrophobicContact CB-CB 3.94Å; M104-D182 WeakPolarHBondContact O-CB 2.88Å; K105-D182 HydrophobicContact CD-CB 4.12Å; K105-D182 IonicContact NZ-OD2 2.74Å; K105-D182 PolarHBondContact NZ-OD2 3.5Å; D182-S184 PolarHBondContact O-N 2.86Å; D182-S184 VanDerWaalsContact O-N 3.1Å; D182-S184 WeakPolarHBondContact OD1-CA 3.35Å; D182-S184 VanDerWaalsContact OD1-CB 3.22Å; D182-S184 WeakPolarHBondContact OD1-CB 3.43Å; D182-S184 PolarHBondContact OD1-N 2.92Å; D182-S184 PolarHBondContact OD1-OG 2.66Å; D182-T185 PolarHBondContact N-OG1 2.98Å; D182-T185 CarbonylContact O-C 3.44Å; D182-T185 PolarHBondContact O-N 2.75Å; D182-T185 PolarHBondContact O-OG1 3.25Å; D182-T185 PolarHBondContact OD1-N 2.85Å; D182-T185 VanDerWaalsContact OD1-N 3.15Å; D182-Q186 WeakPolarHBondContact O-CA 3.36Å; D182-Q186 WeakPolarHBondContact O-CB 2.83Å; D182-Q186 PolarHBondContact O-N 3Å
183	E	88.7	Confident	88.5	Confident	128 Å²	128	32.9 Å²	32.9	60%	0.598	17%	0.171	S	C	*	.	T	Hydrogen-bonded Turn	trans	-56.6	-27.7	-179.1	-62.4	179	168.7	0	0	114.5	K103	K103-E183 HydrophobicContact CD-CB 4.34Å
184	S	88.4	Confident	88.6	Confident	65 Å²	65	33.1 Å²	33.1	46%	0.455	17%	0.172	S	C	.	.	T	Hydrogen-bonded Turn	trans	-83.8	-31.6	178.1	-17.8	0	0	0	0	112.1	K103 D182	K103-S184 VanDerWaalsContact CD-OG 3.24Å; K103-S184 WeakPolarHBondContact CD-OG 3.37Å; K103-S184 WeakPolarHBondContact CE-OG 3.46Å; K103-S184 PolarHBondContact NZ-OG 3.36Å; D182-S184 PolarHBondContact O-N 2.86Å; D182-S184 VanDerWaalsContact O-N 3.1Å; D182-S184 WeakPolarHBondContact OD1-CA 3.35Å; D182-S184 VanDerWaalsContact OD1-CB 3.22Å; D182-S184 WeakPolarHBondContact OD1-CB 3.43Å; D182-S184 PolarHBondContact OD1-N 2.92Å; D182-S184 PolarHBondContact OD1-OG 2.66Å
185	T	87.7	Confident	88.6	Confident	33 Å²	33	33.1 Å²	33.1	20%	0.202	17%	0.172	C	C	.	.	T	Hydrogen-bonded Turn	trans	-100.4	1.9	-178.5	57	0	0	0	0	112.8	D182 N187 N188	D182-T185 PolarHBondContact N-OG1 2.98Å; D182-T185 CarbonylContact O-C 3.44Å; D182-T185 PolarHBondContact O-N 2.75Å; D182-T185 PolarHBondContact O-OG1 3.25Å; D182-T185 PolarHBondContact OD1-N 2.85Å; D182-T185 VanDerWaalsContact OD1-N 3.15Å; T185-N187 PolarHBondContact O-N 2.92Å; T185-N188 PolarHBondContact O-N 2.89Å
186	Q	87.3	Confident	88.5	Confident	100 Å²	100	33.2 Å²	33.2	47%	0.467	17%	0.173	S	C	.	.	T	Hydrogen-bonded Turn	trans	-57.4	-21.5	-179.6	-177.3	174.8	2.2	0	0	113.4	M125 Y181 D182	M125-Q186 VanDerWaalsContact CE-C 3.5Å; M125-Q186 WeakPolarHBondContact CE-O 3.29Å; Y181-Q186 HydrophobicContact CD2-CB 3.87Å; Y181-Q186 HydrophobicContact CD2-CG 4.03Å; Y181-Q186 HydrophobicContact CE2-CB 4.2Å; Y181-Q186 HydrophobicContact CE2-CG 3.9Å; D182-Q186 WeakPolarHBondContact O-CA 3.36Å; D182-Q186 WeakPolarHBondContact O-CB 2.83Å; D182-Q186 PolarHBondContact O-N 3Å
187	N	87.9	Confident	88.4	Confident	142 Å²	142	33.2 Å²	33.2	76%	0.759	17%	0.173	S	C	*	.	T	Hydrogen-bonded Turn	trans	-102.9	10.1	179.8	-66.4	-29.1	0	0	0	114	T185	T185-N187 PolarHBondContact O-N 2.92Å
188	N	86.8	Confident	87.9	Confident	83 Å²	83	33.4 Å²	33.4	44%	0.444	17%	0.174	S	C	.	.			trans	-145.1	126.4	-177.2	-173.6	10.9	0	0	0	112.2	R108 M125 T185	R108-N188 PolarHBondContact NH2-O 2.57Å; M125-N188 VanDerWaalsContact CE-N 3.34Å; T185-N188 PolarHBondContact O-N 2.89Å
189	I	86.6	Confident	86.9	Confident	12 Å²	12	33.4 Å²	33.4	6%	0.062	17%	0.174	C	C	.	.			trans	-101.5	101.5	169.6	-39.5	-144	0	0	0	108.1	R108 W122 M125 F128 N179 W191 A192	R108-I189 VanDerWaalsContact NH2-CG1 3.25Å; W122-I189 HydrophobicContact CE3-CG2 4.06Å; W122-I189 HydrophobicContact CZ3-CB 4.47Å; W122-I189 HydrophobicContact CZ3-CG2 4.1Å; W122-I189 WeakPolarHBondContact O-CD1 3.37Å; M125-I189 HydrophobicContact CE-CG1 4.41Å; M125-I189 HydrophobicContact CG-CG1 4.38Å; M125-I189 HydrophobicContact SD-CB 4.25Å; M125-I189 HydrophobicContact SD-CD1 3.83Å; M125-I189 HydrophobicContact SD-CG1 3.08Å; M125-I189 WeakPolarHBondContact SD-CG1 3.32Å; M125-I189 PolarHBondContact SD-N 3.21Å; F128-I189 HydrophobicContact CD2-CD1 3.51Å; F128-I189 HydrophobicContact CE1-CD1 4.49Å; F128-I189 HydrophobicContact CE2-CD1 3.35Å; F128-I189 HydrophobicContact CG-CD1 4.18Å; F128-I189 HydrophobicContact CZ-CD1 3.87Å; N179-I189 HydrophobicContact CB-CG2 4.19Å; I189-W191 VanDerWaalsContact CG2-O 3.29Å; I189-W191 WeakPolarHBondContact CG2-O 3.48Å; I189-A192 HydrophobicContact CG2-CB 4.46Å
190	Q	83.1	Confident	85.8	Confident	57 Å²	57	33.1 Å²	33.1	27%	0.266	17%	0.172	S	C	.	.	S	Bend	trans	-83.9	-26.9	169.9	-67	-169.3	16.6	0	0	112.3	D95	D95-Q190 PolarHBondContact OD2-NE2 2.75Å; D95-Q190 PolarHBondContact OD2-OE1 3.39Å
191	W	84.3	Confident	84.6	Confident	12 Å²	12	32.9 Å²	32.9	5%	0.045	17%	0.171	C	C	.	.			trans	-146.2	146.5	-170.3	-50.7	100.9	0	0	0	111.7	K72 G76 N179 I189	K72-W191 VanDerWaalsContact CA-CZ3 3.44Å; K72-W191 HydrophobicContact CB-CH2 3.54Å; K72-W191 HydrophobicContact CB-CZ2 4.01Å; K72-W191 HydrophobicContact CB-CZ3 3.99Å; K72-W191 HydrophobicContact CD-CH2 3.81Å; K72-W191 HydrophobicContact CD-CZ2 3.31Å; K72-W191 HydrophobicContact CG-CH2 3.33Å; K72-W191 HydrophobicContact CG-CZ2 3.31Å; K72-W191 HydrophobicContact CG-CZ3 4.24Å; G76-W191 CarbonylContact O-C 3.57Å; G76-W191 WeakPolarHBondContact O-CA 3.46Å; N179-W191 PolarHBondContact ND2-O 2.86Å; I189-W191 VanDerWaalsContact CG2-O 3.29Å; I189-W191 WeakPolarHBondContact CG2-O 3.48Å
192	A	88.9	Confident	83.2	Confident	3 Å²	3	32 Å²	32	3%	0.025	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.9	151.6	168.5	0	0	0	0	0	111.4	G76 V77 K78 W122 V177 Y178 I189	G76-A192 PolarHBondContact O-N 2.79Å; V77-A192 CarbonylContact C-O 3.56Å; V77-A192 VanDerWaalsContact CA-O 3.3Å; V77-A192 WeakPolarHBondContact CA-O 3.35Å; K78-A192 PolarHBondContact N-O 2.74Å; W122-A192 HydrophobicContact CE3-CB 4.34Å; V177-A192 HydrophobicContact CG1-CB 3.53Å; Y178-A192 CarbonylContact O-C 3.59Å; Y178-A192 WeakPolarHBondContact O-CA 3.41Å; I189-A192 HydrophobicContact CG2-CB 4.46Å
193	Y	89.8	Confident	81.7	Confident	12 Å²	12	31.9 Å²	31.9	5%	0.047	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.1	129	167.9	-69.6	-80.1	0	0	0	109.6	K78 L80 I90 P91 L93 W107 V177 Y178	K78-Y193 HydrophobicContact CB-CD1 3.82Å; K78-Y193 HydrophobicContact CB-CE1 3.99Å; K78-Y193 HydrophobicContact CD-CE1 4.09Å; K78-Y193 CarbonylContact O-C 3.59Å; K78-Y193 VanDerWaalsContact O-CA 3.31Å; K78-Y193 WeakPolarHBondContact O-CA 3.21Å; L80-Y193 HydrophobicContact CD1-CD1 3.36Å; L80-Y193 HydrophobicContact CD1-CE1 3.75Å; L80-Y193 HydrophobicContact CD1-CG 4.06Å; L80-Y193 HydrophobicContact CG-CD1 3.76Å; L80-Y193 HydrophobicContact CG-CE1 4.24Å; I90-Y193 HydrophobicContact CG2-CD1 4.03Å; I90-Y193 HydrophobicContact CG2-CD2 3.28Å; I90-Y193 HydrophobicContact CG2-CE1 4.19Å; I90-Y193 HydrophobicContact CG2-CE2 3.48Å; I90-Y193 VanDerWaalsContact CG2-CE2 3.48Å; I90-Y193 HydrophobicContact CG2-CG 3.54Å; P91-Y193 WeakPolarHBondContact CG-OH 3.07Å; P91-Y193 WeakPolarHBondContact O-CE2 3.37Å; P91-Y193 VanDerWaalsContact O-CZ 3.27Å; P91-Y193 PolarHBondContact O-OH 2.75Å; L93-Y193 HydrophobicContact CD1-CE1 4.45Å; L93-Y193 HydrophobicContact CD1-CE2 4.23Å; L93-Y193 WeakPolarHBondContact CD1-OH 3.35Å; L93-Y193 WeakPolarHBondContact CD2-OH 3.49Å; L93-Y193 HydrophobicContact CG-CE2 4.06Å; L93-Y193 WeakPolarHBondContact CG-OH 3.44Å; W107-Y193 HydrophobicContact CH2-CD2 4.3Å; W107-Y193 HydrophobicContact CH2-CE2 4.2Å; W107-Y193 HydrophobicContact CZ3-CD2 4.16Å; W107-Y193 HydrophobicContact CZ3-CE2 4.49Å; V177-Y193 CarbonylContact C-O 3.5Å; V177-Y193 VanDerWaalsContact CA-O 3.26Å; V177-Y193 WeakPolarHBondContact CA-O 3.31Å; Y178-Y193 PolarHBondContact N-O 3.4Å; Y178-Y193 PolarHBondContact O-N 3.26Å
194	L	87.1	Confident	80.2	Confident	4 Å²	4	26 Å²	26	2%	0.021	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.9	107	165.7	176.3	60.6	0	0	0	108.2	V77 K78 V79 L80 L112 V177 I196 L440	V77-L194 HydrophobicContact CG1-CB 3.91Å; K78-L194 PolarHBondContact O-N 3.41Å; V79-L194 WeakPolarHBondContact CA-O 3.32Å; V79-L194 HydrophobicContact CG2-CB 4.38Å; V79-L194 HydrophobicContact CG2-CD2 4.28Å; L80-L194 PolarHBondContact N-O 2.02Å; L112-L194 HydrophobicContact CD2-CD1 3.94Å; V177-L194 HydrophobicContact CG2-CD1 4.06Å; L194-I196 HydrophobicContact CD1-CG1 4.4Å; L194-I196 HydrophobicContact CD2-CD1 3.81Å; L194-I196 HydrophobicContact CD2-CG1 4.43Å; L194-I196 HydrophobicContact CG-CD1 3.82Å; L194-I196 HydrophobicContact CG-CG1 3.88Å; L194-L440 HydrophobicContact CD2-CD2 4.43Å
195	L	89.5	Confident	78.3	Confident	0 Å²	0	23 Å²	23	0%	0	12%	0.118	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.7	123.9	-177.3	-152.2	73.3	0	0	0	110.6	L80 Y82 V88 I90 I167 V174 Q175 G176 Y178	L80-L195 HydrophobicContact CB-CD1 3.51Å; L80-L195 HydrophobicContact CD1-CD1 4.01Å; L80-L195 HydrophobicContact CG-CD1 4.42Å; Y82-L195 HydrophobicContact CD1-CD1 4.25Å; Y82-L195 HydrophobicContact CD1-CD2 4.09Å; Y82-L195 HydrophobicContact CD1-CG 3.69Å; Y82-L195 HydrophobicContact CE1-CB 4.44Å; Y82-L195 HydrophobicContact CE1-CD2 3.8Å; Y82-L195 HydrophobicContact CE1-CG 3.61Å; V88-L195 HydrophobicContact CG1-CD1 3.72Å; V88-L195 HydrophobicContact CG1-CD2 4.21Å; V88-L195 HydrophobicContact CG1-CG 4.46Å; I90-L195 HydrophobicContact CD1-CD1 3.72Å; I90-L195 HydrophobicContact CD1-CD2 4.02Å; I90-L195 HydrophobicContact CD1-CG 4.4Å; I90-L195 HydrophobicContact CG1-CD1 4.22Å; I167-L195 HydrophobicContact CD1-CD2 3.65Å; V174-L195 HydrophobicContact CG2-CD2 4.32Å; Q175-L195 WeakPolarHBondContact CA-O 3.36Å; G176-L195 PolarHBondContact N-O 3.46Å; G176-L195 PolarHBondContact O-N 3.4Å; Y178-L195 HydrophobicContact CD2-CB 3.87Å; Y178-L195 HydrophobicContact CD2-CD2 4.44Å; Y178-L195 HydrophobicContact CE2-CB 3.77Å; Y178-L195 HydrophobicContact CE2-CD2 3.87Å; Y178-L195 HydrophobicContact CE2-CG 4.44Å
196	I	85	Confident	76.2	Confident	2 Å²	2	23.6 Å²	23.6	1%	0.01	12%	0.123	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.8	126.3	-171.5	-50.7	-173.7	0	0	0	110.9	V79 L80 Y81 Y82 L194 I458	V79-I196 HydrophobicContact CG1-CD1 3.65Å; V79-I196 HydrophobicContact CG1-CG1 4.23Å; L80-I196 PolarHBondContact O-N 3.46Å; Y81-I196 VanDerWaalsContact CA-O 3.31Å; Y81-I196 WeakPolarHBondContact CA-O 3.45Å; Y81-I196 HydrophobicContact CD1-CB 3.94Å; Y81-I196 HydrophobicContact CD1-CG2 4.04Å; Y81-I196 HydrophobicContact CE1-CB 4.02Å; Y81-I196 HydrophobicContact CE1-CD1 4.19Å; Y81-I196 HydrophobicContact CE1-CG2 3.89Å; Y82-I196 WeakPolarHBondContact CD1-O 3.18Å; Y82-I196 PolarHBondContact N-O 2.88Å; L194-I196 HydrophobicContact CD1-CG1 4.4Å; L194-I196 HydrophobicContact CD2-CD1 3.81Å; L194-I196 HydrophobicContact CD2-CG1 4.43Å; L194-I196 HydrophobicContact CG-CD1 3.82Å; L194-I196 HydrophobicContact CG-CG1 3.88Å; I196-I458 HydrophobicContact CD1-CD1 3.39Å; I196-I458 HydrophobicContact CD1-CG1 3.87Å; I196-I458 HydrophobicContact CG2-CD1 3.96Å; I196-I458 HydrophobicContact CG2-CG1 3.57Å
197	A	84.8	Confident	74	Confident	0 Å²	0	21.7 Å²	21.7	0%	0	11%	0.112	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.6	139.2	178.5	0	0	0	0	0	111.1	Y82 P84 L172 Q175 A199 S456 S457	Y82-A197 HydrophobicContact CE1-CB 4.03Å; Y82-A197 HydrophobicContact CE2-CB 3.84Å; Y82-A197 CarbonylContact O-C 3.43Å; P84-A197 HydrophobicContact CG-CB 4.24Å; L172-A197 HydrophobicContact CD2-CB 3.94Å; Q175-A197 HydrophobicContact CG-CB 4.03Å; A197-A199 VanDerWaalsContact C-N 3.26Å; A197-A199 PolarHBondContact O-N 2.62Å; A197-A199 VanDerWaalsContact O-N 3.15Å; A197-S456 WeakPolarHBondContact O-CA 3.17Å; A197-S457 WeakPolarHBondContact CB-OG 3.16Å; A197-S457 PolarHBondContact O-N 3.28Å; A197-S457 PolarHBondContact O-OG 2.91Å
198	M	79.4	Confident	71.7	Confident	7 Å²	7	16.1 Å²	16.1	3%	0.034	8%	0.083	C	C	.	.			trans	-86.7	69.9	169	-67.5	-172.4	-78.2	0	0	109.4	Y81 Y82 W83 P84 M455	Y81-M198 HydrophobicContact CD1-CG 4.26Å; Y82-M198 PolarHBondContact O-N 2.95Å; W83-M198 HydrophobicContact CB-CE 4.49Å; W83-M198 VanDerWaalsContact CD1-CE 3.42Å; W83-M198 HydrophobicContact CD2-CB 4.03Å; W83-M198 HydrophobicContact CD2-CE 3.47Å; W83-M198 VanDerWaalsContact CD2-CE 3.47Å; W83-M198 HydrophobicContact CD2-SD 4.21Å; W83-M198 HydrophobicContact CE3-CB 3.52Å; W83-M198 HydrophobicContact CE3-CE 4.2Å; W83-M198 HydrophobicContact CE3-SD 4.49Å; W83-M198 HydrophobicContact CG-CE 3.6Å; W83-M198 HydrophobicContact CH2-CB 4.02Å; W83-M198 HydrophobicContact CH2-CE 4.43Å; W83-M198 HydrophobicContact CH2-SD 3.95Å; W83-M198 HydrophobicContact CZ2-CB 4.48Å; W83-M198 HydrophobicContact CZ2-CE 3.75Å; W83-M198 HydrophobicContact CZ2-SD 3.64Å; W83-M198 HydrophobicContact CZ3-CB 3.52Å; W83-M198 HydrophobicContact CZ3-SD 4.37Å; P84-M198 WeakPolarHBondContact CD-O 3.35Å; M198-M455 CarbonylContact C-O 3.54Å; M198-M455 WeakPolarHBondContact CA-O 3.5Å
199	A	73.7	Confident	69.6	Low	0 Å²	0	12.8 Å²	12.8	0%	0	7%	0.065	C	C	.	.			trans	-115.9	93.6	176.8	0	0	0	0	0	109	P84 L172 A197 P314 E316 M455	P84-A199 HydrophobicContact CG-CB 4.23Å; L172-A199 HydrophobicContact CD2-CB 3.87Å; L172-A199 HydrophobicContact CG-CB 4.4Å; A197-A199 VanDerWaalsContact C-N 3.26Å; A197-A199 PolarHBondContact O-N 2.62Å; A197-A199 VanDerWaalsContact O-N 3.15Å; A199-P314 HydrophobicContact CB-CB 3.91Å; A199-E316 HydrophobicContact CB-CG 4.31Å; A199-M455 CarbonylContact C-O 3.49Å; A199-M455 PolarHBondContact N-O 3.49Å
200	P	68.7	Low	67.1	Low	2 Å²	2	13.4 Å²	13.4	1%	0.013	7%	0.07	C	C	.	.			trans	-62.4	134.7	-175.3	24.4	-33.2	0	0	0	109.4	V202 Y315 W318 M455 A544	P200-V202 PolarHBondContact O-N 3.21Å; P200-Y315 PolarHBondContact O-N 3Å; P200-W318 HydrophobicContact CG-CB 3.63Å; P200-W318 HydrophobicContact CG-CD2 3.89Å; P200-W318 HydrophobicContact CG-CG 3.46Å; P200-W318 VanDerWaalsContact CG-CG 3.46Å; P200-M455 WeakPolarHBondContact CA-O 3.18Å; P200-M455 HydrophobicContact CB-CB 4.42Å; P200-M455 HydrophobicContact CG-CE 4.09Å; P200-M455 VanDerWaalsContact N-O 3.16Å; P200-A544 HydrophobicContact CB-CB 4.03Å; P200-A544 HydrophobicContact CG-CB 4.05Å
201	P	66.1	Low	64.8	Low	6 Å²	6	15.2 Å²	15.2	4%	0.039	8%	0.079	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-60	110.1	168	22.3	-35.1	0	0	0	110.9	V312 F313 F459 V460 Y480	P201-V312 HydrophobicContact CB-CG1 4.26Å; P201-F313 CarbonylContact C-O 3.52Å; P201-F313 WeakPolarHBondContact CA-O 3.35Å; P201-F459 HydrophobicContact CG-CB 4.1Å; P201-V460 HydrophobicContact CB-CG2 3.81Å; P201-Y480 HydrophobicContact CB-CE1 4.34Å; P201-Y480 HydrophobicContact CB-CE2 4.04Å; P201-Y480 WeakPolarHBondContact CB-OH 3.32Å; P201-Y480 HydrophobicContact CG-CE2 4.37Å; P201-Y480 WeakPolarHBondContact CG-OH 3.2Å
202	V	62.9	Low	62.4	Low	2 Å²	2	16.2 Å²	16.2	1%	0.012	9%	0.09	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.3	140.5	172.2	173.1	0	0	0	0	108.3	P200 Q204 V312 F313 Y315 W318 Y543 A544	P200-V202 PolarHBondContact O-N 3.21Å; V202-Q204 HydrophobicContact CG1-CB 4.5Å; V202-V312 CarbonylContact O-C 3.57Å; V202-V312 VanDerWaalsContact O-CA 3.23Å; V202-V312 WeakPolarHBondContact O-CA 3.42Å; V202-F313 HydrophobicContact CB-CE2 4.49Å; V202-F313 HydrophobicContact CB-CZ 4.32Å; V202-F313 HydrophobicContact CG1-CE1 4.33Å; V202-F313 HydrophobicContact CG1-CZ 4.17Å; V202-F313 PolarHBondContact N-O 3.25Å; V202-F313 PolarHBondContact O-N 2.89Å; V202-F313 VanDerWaalsContact O-O 3.12Å; V202-Y315 HydrophobicContact CG2-CD1 4.15Å; V202-Y315 HydrophobicContact CG2-CG 4.05Å; V202-W318 HydrophobicContact CG2-CE3 4.31Å; V202-W318 HydrophobicContact CG2-CZ3 4.5Å; V202-Y543 VanDerWaalsContact CA-O 3.22Å; V202-Y543 WeakPolarHBondContact CA-O 3Å; V202-Y543 WeakPolarHBondContact CG2-O 3.46Å; V202-A544 HydrophobicContact CG2-CB 3.62Å
203	A	60	Low	59.9	Low	0 Å²	0	20.4 Å²	20.4	0%	0	11%	0.109	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.7	143.3	155.2	0	0	0	0	0	114.7	M310 V311 V312 T542 Y543	A203-M310 HydrophobicContact CB-CB 3.94Å; A203-M310 HydrophobicContact CB-CE 4.15Å; A203-M310 WeakPolarHBondContact O-CE 3.41Å; A203-V311 WeakPolarHBondContact CA-O 3.29Å; A203-V311 VanDerWaalsContact CB-O 3.24Å; A203-V311 WeakPolarHBondContact CB-O 3.28Å; A203-V312 HydrophobicContact CB-CB 3.95Å; A203-V312 HydrophobicContact CB-CG1 4.07Å; A203-V312 HydrophobicContact CB-CG2 3.63Å; A203-T542 WeakPolarHBondContact O-CA 3.14Å; A203-Y543 HydrophobicContact CB-CD1 4.48Å; A203-Y543 HydrophobicContact CB-CD2 4.25Å; A203-Y543 HydrophobicContact CB-CE1 3.62Å; A203-Y543 HydrophobicContact CB-CE2 3.27Å; A203-Y543 WeakPolarHBondContact CB-OH 2.95Å
204	Q	56.5	Low	57.4	Low	4 Å²	4	21.3 Å²	21.3	2%	0.019	11%	0.114	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143	136.5	-168.8	-175.2	167.7	0.7	0	0	107.8	V202 C206 T208 M209 V311 F313 F541 T542	V202-Q204 HydrophobicContact CG1-CB 4.5Å; Q204-C206 PolarHBondContact O-N 3.36Å; Q204-T208 WeakPolarHBondContact CG-OG1 3.37Å; Q204-T208 PolarHBondContact NE2-OG1 2.7Å; Q204-M209 VanDerWaalsContact CD-CG 3.48Å; Q204-M209 HydrophobicContact CG-CG 4.08Å; Q204-V311 PolarHBondContact N-O 3.46Å; Q204-V311 PolarHBondContact O-N 3.07Å; Q204-F313 HydrophobicContact CB-CE1 4.27Å; Q204-F541 WeakPolarHBondContact CA-O 3.1Å; Q204-T542 HydrophobicContact CB-CG2 4.02Å; Q204-T542 HydrophobicContact CG-CG2 3.73Å
205	P	49.2	Very low	55	Low	3 Å²	3	30.3 Å²	30.3	2%	0.019	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-66.2	134.9	176.1	17.5	-19.8	0	0	0	108.7	Y207 T208 Q309 M310 F541	P205-Y207 HydrophobicContact CB-CD1 3.85Å; P205-Y207 HydrophobicContact CB-CE1 3.67Å; P205-Y207 HydrophobicContact CG-CE1 4.05Å; P205-Y207 PolarHBondContact O-N 2.82Å; P205-T208 HydrophobicContact CG-CG2 3.97Å; P205-T208 PolarHBondContact O-N 2.84Å; P205-T208 PolarHBondContact O-OG1 3.3Å; P205-Q309 WeakPolarHBondContact CA-O 3.18Å; P205-M310 HydrophobicContact CB-SD 3.98Å; P205-M310 VanDerWaalsContact CD-SD 3.53Å; P205-M310 HydrophobicContact CG-SD 4.03Å; P205-F541 WeakPolarHBondContact CD-O 3.29Å; P205-F541 HydrophobicContact CG-CB 4.42Å; P205-F541 HydrophobicContact CG-CD1 3.23Å; P205-F541 HydrophobicContact CG-CE1 3.73Å; P205-F541 HydrophobicContact CG-CG 4.23Å
206	C	42.2	Very low	52.7	Low	45 Å²	45	33.6 Å²	33.6	30%	0.304	18%	0.182	S	C	.	.	G	3₁₀ helix	trans	-42.5	-37.4	-172.8	-64.1	0	0	0	0	113.8	Q204 Q309 V311	Q204-C206 PolarHBondContact O-N 3.36Å; C206-Q309 PolarHBondContact N-O 3.35Å; C206-Q309 VanDerWaalsContact N-O 3.16Å; C206-Q309 PolarHBondContact SG-O 2.86Å; C206-V311 HydrophobicContact CB-CG2 4.15Å; C206-V311 WeakPolarHBondContact SG-CG2 3.44Å
207	Y	41.8	Very low	50.4	Low	60 Å²	60	36 Å²	36	24%	0.235	19%	0.191	C	C	.	.	G	3₁₀ helix	trans	-81	-20.2	-172.2	73.5	-96	0	0	0	115.3	P205 M209 F306 Q308 F541	P205-Y207 HydrophobicContact CB-CD1 3.85Å; P205-Y207 HydrophobicContact CB-CE1 3.67Å; P205-Y207 HydrophobicContact CG-CE1 4.05Å; P205-Y207 PolarHBondContact O-N 2.82Å; Y207-M209 PolarHBondContact O-N 3.42Å; Y207-F306 HydrophobicContact CD1-CD1 4.07Å; Y207-F306 HydrophobicContact CD1-CE1 4.46Å; Y207-F306 HydrophobicContact CD2-CE1 4.14Å; Y207-F306 HydrophobicContact CE1-CD1 4.1Å; Y207-F306 HydrophobicContact CE1-CE1 4.5Å; Y207-F306 HydrophobicContact CE2-CE1 4.18Å; Y207-F306 HydrophobicContact CG-CD1 4.27Å; Y207-F306 HydrophobicContact CG-CE1 4.25Å; Y207-Q308 HydrophobicContact CE1-CG 4.12Å; Y207-F541 HydrophobicContact CE1-CE1 4.29Å; Y207-F541 AromaticContact CZ-CE1 3.79Å; Y207-F541 WeakPolarHBondContact OH-CE1 3.08Å
208	T	39.9	Very low	48.1	Very low	24 Å²	24	38 Å²	38	15%	0.147	20%	0.202	C	C	.	.	G	3₁₀ helix	trans	-78.7	-11	-179.7	55.9	0	0	0	0	112.7	Q204 P205 S210 N225 F541	Q204-T208 WeakPolarHBondContact CG-OG1 3.37Å; Q204-T208 PolarHBondContact NE2-OG1 2.7Å; P205-T208 HydrophobicContact CG-CG2 3.97Å; P205-T208 PolarHBondContact O-N 2.84Å; P205-T208 PolarHBondContact O-OG1 3.3Å; T208-S210 PolarHBondContact O-N 2.8Å; T208-N225 PolarHBondContact O-ND2 3.5Å; T208-F541 HydrophobicContact CG2-CD1 4.08Å
209	M	41.9	Very low	45.7	Very low	14 Å²	14	39.1 Å²	39.1	7%	0.069	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.9	98.3	166.9	-59	-172.7	-54.3	0	0	107.5	R148 Q204 Y207 E211 T224 V311 F313	R148-M209 VanDerWaalsContact CZ-CE 3.41Å; Q204-M209 VanDerWaalsContact CD-CG 3.48Å; Q204-M209 HydrophobicContact CG-CG 4.08Å; Y207-M209 PolarHBondContact O-N 3.42Å; M209-E211 PolarHBondContact O-N 2.99Å; M209-T224 HydrophobicContact CG-CG2 4.12Å; M209-T224 HydrophobicContact SD-CG2 3.99Å; M209-V311 HydrophobicContact CE-CG2 4.32Å; M209-F313 HydrophobicContact SD-CE1 3.99Å; M209-F313 HydrophobicContact SD-CZ 4.23Å
210	S	34.5	Very low	43.8	Very low	24 Å²	24	41.3 Å²	41.3	17%	0.168	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.1	114.8	177.3	35.4	0	0	0	0	109.4	T208 Q223 N225	T208-S210 PolarHBondContact O-N 2.8Å; S210-Q223 PolarHBondContact N-O 3.44Å; S210-Q223 PolarHBondContact O-N 3.47Å; S210-Q223 PolarHBondContact OG-O 3.35Å; S210-N225 PolarHBondContact OG-ND2 3.33Å; S210-N225 VanDerWaalsContact OG-ND2 3.08Å
211	E	34.9	Very low	42	Very low	96 Å²	96	45.9 Å²	45.9	45%	0.449	24%	0.241	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.8	113.2	159.5	-62.9	178	-179.9	0	0	106.4	R148 M209 L221 H222	R148-E211 IonicContact CZ-OE1 3.53Å; R148-E211 IonicContact NE-OE1 3.17Å; R148-E211 IonicContact NH2-OE1 3.67Å; R148-E211 PolarHBondContact NH2-OE1 2.82Å; R148-E211 VanDerWaalsContact NH2-OE1 3.1Å; M209-E211 PolarHBondContact O-N 2.99Å; E211-L221 CarbonylContact C-O 3.56Å; E211-L221 WeakPolarHBondContact CA-O 3.05Å; E211-H222 IonicContact OE1-CE1 3.59Å; E211-H222 IonicContact OE1-ND1 2.84Å
212	A	33.8	Very low	40.5	Very low	33 Å²	33	47.5 Å²	47.5	27%	0.273	25%	0.248	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.9	109.7	170.5	0	0	0	0	0	108.6	L221	A212-L221 HydrophobicContact CB-CB 4.2Å; A212-L221 PolarHBondContact N-O 3.14Å; A212-L221 PolarHBondContact O-N 3.39Å
213	E	35.5	Very low	39.1	Very low	90 Å²	90	50.4 Å²	50.4	42%	0.421	26%	0.261	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.1	113.4	174	-179.2	-172.6	-140.6	0	0	109.2	R215 Y220	E213-R215 HydrophobicContact CG-CG 3.84Å; E213-R215 PolarHBondContact O-N 3.37Å; E213-R215 WeakPolarHBondContact OE2-CG 3.21Å; E213-R215 IonicContact OE2-CZ 3.68Å; E213-R215 IonicContact OE2-NE 2.92Å; E213-R215 PolarHBondContact OE2-NE 2.94Å; E213-R215 IonicContact OE2-NH2 3.76Å; E213-Y220 HydrophobicContact CB-CD1 4.37Å; E213-Y220 HydrophobicContact CB-CE1 4.17Å; E213-Y220 HydrophobicContact CG-CE1 3.91Å; E213-Y220 PolarHBondContact OE1-OH 2.88Å
214	D	39	Very low	37.9	Very low	31 Å²	31	50.9 Å²	50.9	17%	0.166	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.9	86.1	165.4	-174.8	10.8	0	0	0	109.2	G216 R217 D218 V219 R290	D214-G216 PolarHBondContact O-N 2.84Å; D214-G216 PolarHBondContact OD1-N 3.41Å; D214-R217 HydrophobicContact CB-CB 4.48Å; D214-R217 CarbonylContact O-C 3.58Å; D214-R217 PolarHBondContact O-N 3.48Å; D214-R217 WeakPolarHBondContact OD2-CG 3.32Å; D214-R217 IonicContact OD2-CZ 3.6Å; D214-R217 IonicContact OD2-NE 3.76Å; D214-R217 PolarHBondContact OD2-NE 3.46Å; D214-R217 IonicContact OD2-NH2 3.88Å; D214-D218 PolarHBondContact O-N 3.22Å; D214-V219 PolarHBondContact N-O 3.3Å; D214-R290 IonicContact OD1-CZ 2.69Å; D214-R290 IonicContact OD1-NH1 2.74Å; D214-R290 IonicContact OD1-NH2 2.72Å; D214-R290 PolarHBondContact OD1-NH2 2.7Å; D214-R290 IonicContact OD2-CZ 3.75Å; D214-R290 IonicContact OD2-NH1 2.97Å; D214-R290 PolarHBondContact OD2-NH1 3.33Å; D214-R290 IonicContact OD2-NH2 3.32Å; D214-R290 PolarHBondContact OD2-NH2 3.47Å
215	R	36.2	Very low	36.8	Very low	193 Å²	193	52.1 Å²	52.1	73%	0.728	27%	0.271	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.5	-18.5	178.3	-67.4	-173.8	-177.2	168.9	3.2	114.8	E213 R217	E213-R215 HydrophobicContact CG-CG 3.84Å; E213-R215 PolarHBondContact O-N 3.37Å; E213-R215 WeakPolarHBondContact OE2-CG 3.21Å; E213-R215 IonicContact OE2-CZ 3.68Å; E213-R215 IonicContact OE2-NE 2.92Å; E213-R215 PolarHBondContact OE2-NE 2.94Å; E213-R215 IonicContact OE2-NH2 3.76Å; R215-R217 VanDerWaalsContact C-N 3.35Å
216	G	41	Very low	36.2	Very low	69 Å²	69	52.8 Å²	52.8	71%	0.711	27%	0.274	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82	-13.8	175.9	0	0	0	0	0	113.8	D214	D214-G216 PolarHBondContact O-N 2.84Å; D214-G216 PolarHBondContact OD1-N 3.41Å
217	R	36.7	Very low	35.6	Very low	53 Å²	53	53.8 Å²	53.8	20%	0.2	27%	0.273	C	S	.	.	T	Hydrogen-bonded Turn	trans	-137.4	5.2	-172.7	-62.4	-163.8	-102.1	-173.7	-11.2	114.2	D214 R215 V219 L279 R282	D214-R217 HydrophobicContact CB-CB 4.48Å; D214-R217 CarbonylContact O-C 3.58Å; D214-R217 PolarHBondContact O-N 3.48Å; D214-R217 WeakPolarHBondContact OD2-CG 3.32Å; D214-R217 IonicContact OD2-CZ 3.6Å; D214-R217 IonicContact OD2-NE 3.76Å; D214-R217 PolarHBondContact OD2-NE 3.46Å; D214-R217 IonicContact OD2-NH2 3.88Å; R215-R217 VanDerWaalsContact C-N 3.35Å; R217-V219 HydrophobicContact CB-CG2 4.02Å; R217-V219 WeakPolarHBondContact O-CG2 3.42Å; R217-V219 PolarHBondContact O-N 3.27Å; R217-L279 HydrophobicContact CB-CD1 4.21Å; R217-L279 HydrophobicContact CG-CD1 3.88Å; R217-R282 PolarHBondContact NH1-O 3.28Å; R217-R282 VanDerWaalsContact NH1-O 3.14Å
218	D	35.7	Very low	35.1	Very low	43 Å²	43	52.2 Å²	52.2	23%	0.23	27%	0.271	C	S	.	.	T	Hydrogen-bonded Turn	trans	52.9	21.3	-176.4	-72.2	-23.5	0	0	0	114.9	D214 D262 C275	D214-D218 PolarHBondContact O-N 3.22Å; D218-D262 VanDerWaalsContact O-OD1 3.05Å; D218-C275 HydrophobicContact CB-CB 3.96Å; D218-C275 WeakPolarHBondContact OD2-CB 3.48Å
219	V	30.1	Very low	34.6	Very low	29 Å²	29	57.7 Å²	57.7	18%	0.176	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.8	129	177.6	-175	0	0	0	0	110.3	D214 R217 L221 F283	D214-V219 PolarHBondContact N-O 3.3Å; R217-V219 HydrophobicContact CB-CG2 4.02Å; R217-V219 WeakPolarHBondContact O-CG2 3.42Å; R217-V219 PolarHBondContact O-N 3.27Å; V219-L221 HydrophobicContact CG1-CD2 4.31Å; V219-L221 HydrophobicContact CG1-CG 4.21Å; V219-F283 HydrophobicContact CB-CE1 4.23Å; V219-F283 HydrophobicContact CG1-CE1 3.65Å; V219-F283 HydrophobicContact CG1-CZ 4.15Å; V219-F283 HydrophobicContact CG2-CE1 3.74Å; V219-F283 HydrophobicContact CG2-CZ 3.69Å
220	Y	32.6	Very low	34.3	Very low	47 Å²	47	60.2 Å²	60.2	18%	0.184	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.2	113.7	164.4	-64.1	-88	0	0	0	110.4	E213	E213-Y220 HydrophobicContact CB-CD1 4.37Å; E213-Y220 HydrophobicContact CB-CE1 4.17Å; E213-Y220 HydrophobicContact CG-CE1 3.91Å; E213-Y220 PolarHBondContact OE1-OH 2.88Å
221	L	32	Very low	34.3	Very low	97 Å²	97	63.8 Å²	63.8	51%	0.508	32%	0.315	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.9	112.2	170.1	-68.1	167.2	0	0	0	108.6	E211 A212 V219 Q223	E211-L221 CarbonylContact C-O 3.56Å; E211-L221 WeakPolarHBondContact CA-O 3.05Å; A212-L221 HydrophobicContact CB-CB 4.2Å; A212-L221 PolarHBondContact N-O 3.14Å; A212-L221 PolarHBondContact O-N 3.39Å; V219-L221 HydrophobicContact CG1-CD2 4.31Å; V219-L221 HydrophobicContact CG1-CG 4.21Å; L221-Q223 PolarHBondContact O-N 3.32Å
222	H	33.9	Very low	34.4	Very low	41 Å²	41	64 Å²	64	19%	0.19	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.8	106.9	168.5	-64.4	-73.8	0	0	0	108.8	E211	E211-H222 IonicContact OE1-CE1 3.59Å; E211-H222 IonicContact OE1-ND1 2.84Å
223	Q	34.2	Very low	34.7	Very low	62 Å²	62	67.4 Å²	67.4	29%	0.29	32%	0.321	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.5	92.7	166.4	-163.9	175.2	1.4	0	0	107.6	S210 L221 N225	S210-Q223 PolarHBondContact N-O 3.44Å; S210-Q223 PolarHBondContact O-N 3.47Å; S210-Q223 PolarHBondContact OG-O 3.35Å; L221-Q223 PolarHBondContact O-N 3.32Å; Q223-N225 PolarHBondContact O-N 3.04Å
224	T	35	Very low	35	Very low	10 Å²	10	69.1 Å²	69.1	6%	0.061	34%	0.34	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-64.4	104.7	157.1	21.8	0	0	0	0	106	M209 I226	M209-T224 HydrophobicContact CG-CG2 4.12Å; M209-T224 HydrophobicContact SD-CG2 3.99Å; T224-I226 HydrophobicContact CG2-CD1 3.99Å; T224-I226 HydrophobicContact CG2-CG1 4.46Å; T224-I226 PolarHBondContact O-N 3.15Å
225	N	33.6	Very low	35.2	Very low	30 Å²	30	72.2 Å²	72.2	16%	0.16	36%	0.356	C	S	.	.	G	3₁₀ helix	trans	-68.6	36.3	174.8	-71	-45	0	0	0	112.2	T208 S210 Q223 F227	T208-N225 PolarHBondContact O-ND2 3.5Å; S210-N225 PolarHBondContact OG-ND2 3.33Å; S210-N225 VanDerWaalsContact OG-ND2 3.08Å; Q223-N225 PolarHBondContact O-N 3.04Å; N225-F227 VanDerWaalsContact C-N 3.25Å
226	I	34.9	Very low	35	Very low	17 Å²	17	64.3 Å²	64.3	9%	0.087	33%	0.334	C	S	.	.	G	3₁₀ helix	trans	-76.4	-21.8	174.1	-58.7	170.4	0	0	0	109.6	T224 C228 F313 Y315 A321	T224-I226 HydrophobicContact CG2-CD1 3.99Å; T224-I226 HydrophobicContact CG2-CG1 4.46Å; T224-I226 PolarHBondContact O-N 3.15Å; I226-C228 PolarHBondContact O-N 2.71Å; I226-F313 HydrophobicContact CD1-CZ 4.39Å; I226-Y315 HydrophobicContact CB-CE1 4.42Å; I226-Y315 HydrophobicContact CD1-CD1 4.18Å; I226-Y315 HydrophobicContact CD1-CD2 3.89Å; I226-Y315 HydrophobicContact CD1-CE1 3.82Å; I226-Y315 HydrophobicContact CD1-CE2 3.52Å; I226-Y315 HydrophobicContact CD1-CG 4.19Å; I226-Y315 VanDerWaalsContact CD1-CZ 3.47Å; I226-Y315 HydrophobicContact CG2-CE1 3.79Å; I226-A321 HydrophobicContact CG2-CB 4.08Å
227	F	30.3	Very low	34.7	Very low	66 Å²	66	63 Å²	63	29%	0.289	31%	0.312	S	S	.	.	G	3₁₀ helix	trans	-75.5	6.2	175.2	-67.9	-73.7	0	0	0	114.8	N225 R229 L320	N225-F227 VanDerWaalsContact C-N 3.25Å; F227-R229 PolarHBondContact O-N 2.84Å; F227-R229 VanDerWaalsContact O-N 3.13Å; F227-L320 HydrophobicContact CE1-CB 4.31Å; F227-L320 HydrophobicContact CZ-CB 4.42Å
228	C	31.2	Very low	34.6	Very low	28 Å²	28	62.6 Å²	62.6	19%	0.189	31%	0.31	C	S	.	.			trans	-70.5	112.8	174.9	-69.2	0	0	0	0	108.9	I226 Y230 H240	I226-C228 PolarHBondContact O-N 2.71Å; C228-Y230 HydrophobicContact CB-CE1 4.38Å; C228-Y230 WeakPolarHBondContact O-CD2 3.43Å; C228-Y230 WeakPolarHBondContact O-CE2 3.39Å; C228-Y230 PolarHBondContact O-N 3.04Å; C228-H240 VanDerWaalsContact SG-CE1 3.6Å; C228-H240 PolarHBondContact SG-NE2 3.15Å
229	R	29.4	Very low	34.6	Very low	139 Å²	139	61.7 Å²	61.7	53%	0.525	31%	0.309	S	S	.	.	P	Polyproline II helix	trans	-51.4	125.4	165.7	-90.2	-177.9	172.3	178.3	-3.1	107.8	F227 E241 Y244	F227-R229 PolarHBondContact O-N 2.84Å; F227-R229 VanDerWaalsContact O-N 3.13Å; R229-E241 WeakPolarHBondContact O-CB 3.45Å; R229-Y244 PolarHBondContact NH1-OH 3.33Å
230	Y	36	Very low	34.7	Very low	66 Å²	66	62.6 Å²	62.6	26%	0.259	31%	0.311	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.8	123.2	175.3	-61.8	-75.2	0	0	0	108.7	C228 T512	C228-Y230 HydrophobicContact CB-CE1 4.38Å; C228-Y230 WeakPolarHBondContact O-CD2 3.43Å; C228-Y230 WeakPolarHBondContact O-CE2 3.39Å; C228-Y230 PolarHBondContact O-N 3.04Å; Y230-T512 HydrophobicContact CD1-CG2 4.05Å; Y230-T512 HydrophobicContact CD2-CG2 4.24Å; Y230-T512 HydrophobicContact CE1-CG2 3.93Å; Y230-T512 HydrophobicContact CE2-CG2 4.13Å; Y230-T512 HydrophobicContact CG-CG2 4.22Å
231	L	34.4	Very low	34.8	Very low	99 Å²	99	63.1 Å²	63.1	52%	0.518	32%	0.315	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.3	118.4	165.9	-98	160.5	0	0	0	108.1	F233 A239 E241	L231-F233 PolarHBondContact O-N 3.18Å; L231-A239 PolarHBondContact N-O 2.96Å; L231-A239 PolarHBondContact O-N 3.46Å; L231-E241 HydrophobicContact CD1-CG 4.26Å; L231-E241 WeakPolarHBondContact CD1-OE1 2.76Å
232	R	37	Very low	35.1	Very low	102 Å²	102	63 Å²	63	39%	0.385	32%	0.319	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.5	117.4	169	-167.9	177.3	-178	-178.3	0.6	108.6	N237 Y238	R232-N237 CarbonylContact C-O 3.5Å; R232-N237 WeakPolarHBondContact CA-O 3.23Å; R232-Y238 HydrophobicContact CB-CD1 3.9Å; R232-Y238 HydrophobicContact CB-CE1 3.75Å; R232-Y238 HydrophobicContact CG-CD1 4.27Å; R232-Y238 HydrophobicContact CG-CE1 3.99Å
233	F	39.6	Very low	35.1	Very low	104 Å²	104	67.9 Å²	67.9	46%	0.456	35%	0.346	S	S	.	.	P	Polyproline II helix	trans	-70.3	159.5	172	-73.5	-62.6	0	0	0	111.2	L231 D235 G236 N237 A239	L231-F233 PolarHBondContact O-N 3.18Å; F233-D235 WeakPolarHBondContact CB-OD1 3.23Å; F233-D235 PolarHBondContact O-N 2.69Å; F233-D235 VanDerWaalsContact O-N 3.08Å; F233-G236 PolarHBondContact O-N 2.89Å; F233-N237 PolarHBondContact N-O 2.72Å; F233-A239 HydrophobicContact CD2-CB 4.01Å; F233-A239 HydrophobicContact CE2-CB 3.15Å; F233-A239 HydrophobicContact CZ-CB 3.5Å; F233-A239 VanDerWaalsContact CZ-CB 3.5Å
234	P	41.6	Very low	35	Very low	126 Å²	126	69.6 Å²	69.6	82%	0.818	35%	0.35	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.3	-22.5	176.5	-25.7	34.7	0	0	0	114.8	G236	P234-G236 PolarHBondContact O-N 3.32Å
235	D	43.1	Very low	34.9	Very low	95 Å²	95	72.7 Å²	72.7	51%	0.508	37%	0.37	S	S	.	.	T	Hydrogen-bonded Turn	trans	-81	-0.5	176.4	68.9	-3.2	0	0	0	113.3	F233 N237	F233-D235 WeakPolarHBondContact CB-OD1 3.23Å; F233-D235 PolarHBondContact O-N 2.69Å; F233-D235 VanDerWaalsContact O-N 3.08Å; D235-N237 VanDerWaalsContact C-N 3.35Å; D235-N237 VanDerWaalsContact OD1-CB 3.31Å; D235-N237 WeakPolarHBondContact OD1-CB 3.49Å; D235-N237 PolarHBondContact OD1-N 2.75Å; D235-N237 PolarHBondContact OD1-ND2 2.97Å; D235-N237 PolarHBondContact OD2-ND2 2.74Å
236	G	32.1	Very low	35.1	Very low	27 Å²	27	74.3 Å²	74.3	28%	0.278	38%	0.379	S	S	.	.	S	Bend	trans	88.7	-6.9	-180	0	0	0	0	0	114.6	F233 P234	F233-G236 PolarHBondContact O-N 2.89Å; P234-G236 PolarHBondContact O-N 3.32Å
237	N	36.3	Very low	35.1	Very low	43 Å²	43	78.1 Å²	78.1	23%	0.23	40%	0.399	C	S	.	.	P	Polyproline II helix	trans	-77.2	150.7	176.9	-65.3	-50.7	0	0	0	111.3	R232 F233 D235 S513	R232-N237 CarbonylContact C-O 3.5Å; R232-N237 WeakPolarHBondContact CA-O 3.23Å; F233-N237 PolarHBondContact N-O 2.72Å; D235-N237 VanDerWaalsContact C-N 3.35Å; D235-N237 VanDerWaalsContact OD1-CB 3.31Å; D235-N237 WeakPolarHBondContact OD1-CB 3.49Å; D235-N237 PolarHBondContact OD1-N 2.75Å; D235-N237 PolarHBondContact OD1-ND2 2.97Å; D235-N237 PolarHBondContact OD2-ND2 2.74Å; N237-S513 PolarHBondContact OD1-OG 3.37Å
238	Y	34.2	Very low	35.2	Very low	43 Å²	43	82.6 Å²	82.6	17%	0.169	42%	0.421	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.5	125.8	173.5	-67.2	-82.6	0	0	0	110.2	R232 D510 Y511 T512	R232-Y238 HydrophobicContact CB-CD1 3.9Å; R232-Y238 HydrophobicContact CB-CE1 3.75Å; R232-Y238 HydrophobicContact CG-CD1 4.27Å; R232-Y238 HydrophobicContact CG-CE1 3.99Å; Y238-D510 PolarHBondContact OH-OD1 3.14Å; Y238-Y511 WeakPolarHBondContact CD2-O 3.36Å; Y238-Y511 WeakPolarHBondContact CE2-O 2.87Å; Y238-T512 HydrophobicContact CD2-CG2 4.45Å; Y238-T512 HydrophobicContact CG-CG2 4.39Å
239	A	34.8	Very low	35.5	Very low	25 Å²	25	84 Å²	84	21%	0.207	43%	0.426	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.6	135	164.2	0	0	0	0	0	109.8	L231 F233 E241	L231-A239 PolarHBondContact N-O 2.96Å; L231-A239 PolarHBondContact O-N 3.46Å; F233-A239 HydrophobicContact CD2-CB 4.01Å; F233-A239 HydrophobicContact CE2-CB 3.15Å; F233-A239 HydrophobicContact CZ-CB 3.5Å; F233-A239 VanDerWaalsContact CZ-CB 3.5Å; A239-E241 PolarHBondContact O-N 3.29Å
240	H	33	Very low	35.9	Very low	48 Å²	48	79.4 Å²	79.4	22%	0.222	41%	0.413	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.3	111.1	157.7	-171.2	-73.3	0	0	0	107.4	C228 V242 Y514	C228-H240 VanDerWaalsContact SG-CE1 3.6Å; C228-H240 PolarHBondContact SG-NE2 3.15Å; H240-V242 VanDerWaalsContact C-N 3.27Å; H240-V242 PolarHBondContact O-N 2.76Å; H240-Y514 HydrophobicContact CB-CE1 3.89Å; H240-Y514 PolarHBondContact CD2-OH 3.11Å; H240-Y514 VanDerWaalsContact CD2-OH 3.28Å
241	E	33.7	Very low	36	Very low	58 Å²	58	80.2 Å²	80.2	27%	0.271	43%	0.425	S	S	.	.			trans	-73.1	85.8	176.8	-156.3	174.2	-162.3	0	0	107.3	R229 L231 A239 D243 Y244	R229-E241 WeakPolarHBondContact O-CB 3.45Å; L231-E241 HydrophobicContact CD1-CG 4.26Å; L231-E241 WeakPolarHBondContact CD1-OE1 2.76Å; A239-E241 PolarHBondContact O-N 3.29Å; E241-D243 PolarHBondContact O-N 3.24Å; E241-D243 VanDerWaalsContact O-N 3.08Å; E241-Y244 HydrophobicContact CG-CD2 4.27Å; E241-Y244 VanDerWaalsContact OE2-CD2 3.27Å; E241-Y244 WeakPolarHBondContact OE2-CD2 3.23Å; E241-Y244 VanDerWaalsContact OE2-CE2 3.29Å; E241-Y244 WeakPolarHBondContact OE2-CE2 3.34Å
242	V	38	Very low	36	Very low	95 Å²	95	82.4 Å²	82.4	58%	0.576	43%	0.433	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.9	-12.2	179.4	-176.2	0	0	0	0	111.5	H240 F518	H240-V242 VanDerWaalsContact C-N 3.27Å; H240-V242 PolarHBondContact O-N 2.76Å; V242-F518 HydrophobicContact CG2-CE2 4.42Å
243	D	34.8	Very low	36	Very low	143 Å²	143	82.6 Å²	82.6	77%	0.765	43%	0.434	S	S	*	.	T	Hydrogen-bonded Turn	trans	-106.4	10.6	-166.6	-64.1	-37	0	0	0	115.6	E241 P245	E241-D243 PolarHBondContact O-N 3.24Å; E241-D243 VanDerWaalsContact O-N 3.08Å; D243-P245 VanDerWaalsContact O-CD 3.27Å; D243-P245 WeakPolarHBondContact O-CD 3.4Å
244	Y	32.2	Very low	35.9	Very low	98 Å²	98	80.1 Å²	80.1	38%	0.384	43%	0.429	S	S	.	.	S	Bend	trans	-70.1	123.9	168.5	-112.6	-86.7	0	0	0	110.1	R229 E241 I246	R229-Y244 PolarHBondContact NH1-OH 3.33Å; E241-Y244 HydrophobicContact CG-CD2 4.27Å; E241-Y244 VanDerWaalsContact OE2-CD2 3.27Å; E241-Y244 WeakPolarHBondContact OE2-CD2 3.23Å; E241-Y244 VanDerWaalsContact OE2-CE2 3.29Å; E241-Y244 WeakPolarHBondContact OE2-CE2 3.34Å; Y244-I246 PolarHBondContact O-N 3.33Å
245	P	33.3	Very low	35.5	Very low	74 Å²	74	80.8 Å²	80.8	48%	0.481	42%	0.421	S	S	.	.			trans	-59.2	117.6	168	22.4	-28.9	0	0	0	108	D243 D247	D243-P245 VanDerWaalsContact O-CD 3.27Å; D243-P245 WeakPolarHBondContact O-CD 3.4Å; P245-D247 PolarHBondContact O-N 2.66Å
246	I	36.7	Very low	35.1	Very low	65 Å²	65	81.4 Å²	81.4	33%	0.333	43%	0.425	S	S	.	.	G	3₁₀ helix	trans	-61.1	-6.6	-175.5	-62.9	169.3	0	0	0	112	Y244 H248 L249 T250	Y244-I246 PolarHBondContact O-N 3.33Å; I246-H248 PolarHBondContact O-N 3.42Å; I246-L249 PolarHBondContact O-N 3.16Å; I246-T250 WeakPolarHBondContact O-CG2 3.21Å
247	D	35.5	Very low	35	Very low	97 Å²	97	82.2 Å²	82.2	52%	0.519	43%	0.429	S	S	.	.	G	3₁₀ helix	trans	-51.8	-25.9	-179.9	-59.5	-16.8	0	0	0	113.7	P245 T250	P245-D247 PolarHBondContact O-N 2.66Å; D247-T250 WeakPolarHBondContact O-CB 3.34Å; D247-T250 WeakPolarHBondContact O-CG2 3.36Å; D247-T250 PolarHBondContact O-OG1 3.29Å
248	H	33.1	Very low	34.7	Very low	160 Å²	160	83.5 Å²	83.5	74%	0.741	44%	0.438	S	S	*	.	G	3₁₀ helix	trans	-77.9	-14.6	178.2	-71.9	-43.3	0	0	0	115.9	I246 T250	I246-H248 PolarHBondContact O-N 3.42Å; H248-T250 VanDerWaalsContact C-N 3.28Å; H248-T250 PolarHBondContact O-N 3.36Å
249	L	36.1	Very low	34.4	Very low	56 Å²	56	86.3 Å²	86.3	29%	0.293	45%	0.453	S	S	.	.	G	3₁₀ helix	trans	-81.7	-3.5	174.9	-87	156.7	0	0	0	113.3	I246 T251 Y253	I246-L249 PolarHBondContact O-N 3.16Å; L249-T251 PolarHBondContact O-N 2.77Å; L249-Y253 HydrophobicContact CD2-CD2 4.34Å
250	T	38.2	Very low	34.1	Very low	44 Å²	44	86.8 Å²	86.8	27%	0.27	46%	0.456	S	S	.	.	S	Bend	trans	-91.7	4.6	-146.2	60	0	0	0	0	119	I246 D247 H248 I287	I246-T250 WeakPolarHBondContact O-CG2 3.21Å; D247-T250 WeakPolarHBondContact O-CB 3.34Å; D247-T250 WeakPolarHBondContact O-CG2 3.36Å; D247-T250 PolarHBondContact O-OG1 3.29Å; H248-T250 VanDerWaalsContact C-N 3.28Å; H248-T250 PolarHBondContact O-N 3.36Å; T250-I287 HydrophobicContact CG2-CD1 4.48Å
251	T	37.9	Very low	33.8	Very low	82 Å²	82	86.1 Å²	86.1	50%	0.503	46%	0.457	S	S	.	.	S	Bend	trans	-139.3	-55.3	176.2	39.1	0	0	0	0	115.3	L249 Y253 C254 Q255	L249-T251 PolarHBondContact O-N 2.77Å; T251-Y253 PolarHBondContact O-N 2.83Å; T251-C254 PolarHBondContact O-N 3.48Å; T251-Q255 WeakPolarHBondContact O-CG 3.1Å; T251-Q255 PolarHBondContact O-N 2.85Å; T251-Q255 VanDerWaalsContact O-N 3.14Å
252	Q	35.1	Very low	33.4	Very low	145 Å²	145	86.9 Å²	86.9	68%	0.678	46%	0.462	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.8	-32.7	-170.6	-156.9	173.5	7	0	0	113.3	N256	Q252-N256 PolarHBondContact O-ND2 3.43Å
253	Y	37.9	Very low	32.8	Very low	107 Å²	107	86 Å²	86	42%	0.42	46%	0.457	S	S	.	.	T	Hydrogen-bonded Turn	trans	-77.5	-41.3	178	-67.1	-77.5	0	0	0	112.2	L249 T251 Q255 N256 A257	L249-Y253 HydrophobicContact CD2-CD2 4.34Å; T251-Y253 PolarHBondContact O-N 2.83Å; Y253-Q255 PolarHBondContact O-N 2.86Å; Y253-N256 PolarHBondContact O-N 3.02Å; Y253-A257 PolarHBondContact O-N 2.91Å
254	C	35.6	Very low	32.2	Very low	52 Å²	52	84.2 Å²	84.2	35%	0.351	46%	0.455	S	S	.	.	G	3₁₀ helix	trans	-65.9	-35.5	178.4	-73.4	0	0	0	0	113.3	T251 N256 A257	T251-C254 PolarHBondContact O-N 3.48Å; C254-N256 PolarHBondContact O-N 3.48Å; C254-A257 PolarHBondContact O-N 3.07Å
255	Q	35.2	Very low	31.9	Very low	139 Å²	139	82 Å²	82	65%	0.65	45%	0.454	S	S	*	.	G	3₁₀ helix	trans	-68.2	-20.7	179	-74.1	179.8	-4.9	0	0	113.5	T251 Y253	T251-Q255 WeakPolarHBondContact O-CG 3.1Å; T251-Q255 PolarHBondContact O-N 2.85Å; T251-Q255 VanDerWaalsContact O-N 3.14Å; Y253-Q255 PolarHBondContact O-N 2.86Å
256	N	32.8	Very low	31.6	Very low	109 Å²	109	84.1 Å²	84.1	58%	0.583	47%	0.47	S	S	*	.	G	3₁₀ helix	trans	-104.1	-5.9	-178.1	-68.2	-45.4	0	0	0	113.6	Q252 Y253 C254	Q252-N256 PolarHBondContact O-ND2 3.43Å; Y253-N256 PolarHBondContact O-N 3.02Å; C254-N256 PolarHBondContact O-N 3.48Å
257	A	31.4	Very low	31.1	Very low	43 Å²	43	91.7 Å²	91.7	36%	0.355	49%	0.494	S	S	.	.			trans	-66.5	133.3	175.8	0	0	0	0	0	110	F152 Y253 C254	F152-A257 HydrophobicContact CD1-CB 3.88Å; F152-A257 HydrophobicContact CE1-CB 3.89Å; Y253-A257 PolarHBondContact O-N 2.91Å; C254-A257 PolarHBondContact O-N 3.07Å
258	V	28.6	Very low	30.9	Very low	71 Å²	71	91.2 Å²	91.2	43%	0.43	50%	0.495	S	S	.	.			trans	-77.1	136.4	170.5	176.9	0	0	0	0	107.4	A151 R153 V154 A260	A151-V258 PolarHBondContact O-N 2.98Å; R153-V258 WeakPolarHBondContact O-CG2 3.46Å; V154-V258 HydrophobicContact CG1-CG2 4.33Å; V258-A260 PolarHBondContact O-N 3.15Å; V258-A260 VanDerWaalsContact O-N 3.1Å
259	E	28.7	Very low	31	Very low	101 Å²	101	91 Å²	91	47%	0.472	50%	0.5	S	S	.	.			trans	-60.6	114.3	170.8	-71.5	179.1	163	0	0	107.7
260	A	28.3	Very low	30.9	Very low	35 Å²	35	93.6 Å²	93.6	29%	0.289	51%	0.514	S	S	.	.			trans	-56.7	134	177.2	0	0	0	0	0	108.7	V258 D262	V258-A260 PolarHBondContact O-N 3.15Å; V258-A260 VanDerWaalsContact O-N 3.1Å; A260-D262 PolarHBondContact O-N 3.34Å
261	P	27.4	Very low	30.9	Very low	35 Å²	35	97.4 Å²	97.4	23%	0.227	54%	0.537	C	S	.	.			trans	-57.5	126	169	-14	24.2	0	0	0	108.6	L13 M143 V263	L13-P261 HydrophobicContact CD1-CB 4.41Å; L13-P261 HydrophobicContact CD1-CG 4.46Å; M143-P261 HydrophobicContact CE-CG 3.62Å; P261-V263 WeakPolarHBondContact O-CG2 3.16Å; P261-V263 PolarHBondContact O-N 3.35Å
262	D	25	Very low	31	Very low	73 Å²	73	96 Å²	96	39%	0.39	53%	0.531	S	S	.	.			trans	-60.9	95.5	-179	-68.2	-28.4	0	0	0	110.7	D218 A260 L276	D218-D262 VanDerWaalsContact O-OD1 3.05Å; A260-D262 PolarHBondContact O-N 3.34Å; D262-L276 WeakPolarHBondContact OD2-CD2 3.28Å
263	V	24.4	Very low	30.9	Very low	77 Å²	77	96.8 Å²	96.8	47%	0.467	53%	0.532	S	S	.	.			trans	-106.2	113.5	174.9	-175	0	0	0	0	109.1	P261	P261-V263 WeakPolarHBondContact O-CG2 3.16Å; P261-V263 PolarHBondContact O-N 3.35Å
264	C	22.8	Very low	30.7	Very low	106 Å²	106	99.4 Å²	99.4	72%	0.716	55%	0.546	S	S	*	.			trans	79.4	66.4	156.2	-63.6	0	0	0	0	119.7
265	S	27.1	Very low	30.6	Very low	52 Å²	52	99.3 Å²	99.3	36%	0.364	55%	0.545	S	S	.	.			trans	-80.9	107.4	139.8	161.5	0	0	0	0	109	R267 T268	S265-R267 PolarHBondContact O-N 2.78Å; S265-R267 PolarHBondContact OG-N 2.81Å; S265-T268 PolarHBondContact OG-N 3.04Å; S265-T268 PolarHBondContact OG-OG1 2.91Å
266	S	25.8	Very low	30.3	Very low	118 Å²	118	97 Å²	97	83%	0.825	54%	0.537	S	S	*	.	S	Bend	trans	-72.6	1.2	171.6	59.3	0	0	0	0	113.3
267	R	27.3	Very low	30.1	Very low	223 Å²	223	99.6 Å²	99.6	84%	0.842	54%	0.543	S	S	*	.	S	Bend	trans	-150	59.8	-167	-65.4	-171.3	-178.9	-162.7	-1.6	114.4	S265	S265-R267 PolarHBondContact O-N 2.78Å; S265-R267 PolarHBondContact OG-N 2.81Å
268	T	29.7	Very low	30.1	Very low	87 Å²	87	100.8 Å²	100.8	53%	0.534	55%	0.547	S	S	.	.			trans	-142	118.6	160.7	43.1	0	0	0	0	110.8	S265 D270	S265-T268 PolarHBondContact OG-N 3.04Å; S265-T268 PolarHBondContact OG-OG1 2.91Å; T268-D270 PolarHBondContact O-N 2.7Å
269	N	35.1	Very low	30.2	Very low	157 Å²	157	100.8 Å²	100.8	84%	0.84	54%	0.544	S	S	*	.			trans	-78.9	26.7	173.3	-81.6	-15.1	0	0	0	111.9	T271	N269-T271 PolarHBondContact O-N 3.46Å
270	D	35.6	Very low	30.4	Very low	109 Å²	109	103.5 Å²	103.5	58%	0.583	56%	0.557	S	S	*	*			trans	-83.3	102.9	-179.6	-164.1	-19.5	0	0	0	109.6	T268 S272	T268-D270 PolarHBondContact O-N 2.7Å; D270-S272 VanDerWaalsContact C-N 3.28Å; D270-S272 WeakPolarHBondContact OD1-CB 3.28Å; D270-S272 PolarHBondContact OD1-N 2.81Å; D270-S272 PolarHBondContact OD1-OG 2.81Å
271	T	38.3	Very low	30.7	Very low	124 Å²	124	109.3 Å²	109.3	76%	0.761	58%	0.583	S	S	*	*			trans	-83.9	0.8	-179.9	51.5	0	0	0	0	113.1	N269 F273	N269-T271 PolarHBondContact O-N 3.46Å; T271-F273 VanDerWaalsContact O-CD2 3.26Å; T271-F273 WeakPolarHBondContact O-CD2 3.13Å; T271-F273 WeakPolarHBondContact O-CE2 3.01Å; T271-F273 PolarHBondContact O-N 3Å
272	S	39	Very low	30.9	Very low	54 Å²	54	115.6 Å²	115.6	38%	0.378	60%	0.602	S	S	.	*	S	Bend	trans	-88.1	5.8	-166.4	72.1	0	0	0	0	115.5	D270 K274	D270-S272 VanDerWaalsContact C-N 3.28Å; D270-S272 WeakPolarHBondContact OD1-CB 3.28Å; D270-S272 PolarHBondContact OD1-N 2.81Å; D270-S272 PolarHBondContact OD1-OG 2.81Å; S272-K274 PolarHBondContact O-N 3.15Å
273	F	33.8	Very low	31.5	Very low	160 Å²	160	115.5 Å²	115.5	70%	0.702	60%	0.598	S	S	*	*			trans	52.7	13.8	177.9	-59.7	-86.5	0	0	0	114.6	T271 C275 L276	T271-F273 VanDerWaalsContact O-CD2 3.26Å; T271-F273 WeakPolarHBondContact O-CD2 3.13Å; T271-F273 WeakPolarHBondContact O-CE2 3.01Å; T271-F273 PolarHBondContact O-N 3Å; F273-C275 PolarHBondContact O-N 3.12Å; F273-L276 HydrophobicContact CD1-CD1 4.49Å; F273-L276 PolarHBondContact O-N 2.96Å
274	K	33.6	Very low	32	Very low	162 Å²	162	114.7 Å²	114.7	70%	0.704	60%	0.595	S	S	*	*	G	3₁₀ helix	trans	-70.1	-23	-177.1	-78.6	-176.7	178.9	176.1	0	112.4	S272 L276	S272-K274 PolarHBondContact O-N 3.15Å; K274-L276 VanDerWaalsContact C-N 3.29Å; K274-L276 PolarHBondContact O-N 2.55Å
275	C	32.3	Very low	32.7	Very low	51 Å²	51	117.2 Å²	117.2	35%	0.345	59%	0.594	S	S	.	*	G	3₁₀ helix	trans	-65.4	-29	175.9	47.5	0	0	0	0	113.5	D218 F273	D218-C275 HydrophobicContact CB-CB 3.96Å; D218-C275 WeakPolarHBondContact OD2-CB 3.48Å; F273-C275 PolarHBondContact O-N 3.12Å
276	L	29.5	Very low	33.5	Very low	90 Å²	90	119.6 Å²	119.6	47%	0.471	60%	0.603	S	S	.	*	G	3₁₀ helix	trans	-94.6	0.2	-173.1	-63.7	172.5	0	0	0	114.5	D262 F273 K274 P278	D262-L276 WeakPolarHBondContact OD2-CD2 3.28Å; F273-L276 HydrophobicContact CD1-CD1 4.49Å; F273-L276 PolarHBondContact O-N 2.96Å; K274-L276 VanDerWaalsContact C-N 3.29Å; K274-L276 PolarHBondContact O-N 2.55Å; L276-P278 WeakPolarHBondContact O-CD 3.41Å
277	K	27.8	Very low	34.2	Very low	164 Å²	164	115.9 Å²	115.9	71%	0.713	57%	0.574	S	S	*	*	S	Bend	trans	-78	120.5	173.3	-79.5	-168.6	177.2	-175.4	0	108.5	L279	K277-L279 PolarHBondContact O-N 3.35Å
278	P	31.5	Very low	35	Very low	67 Å²	67	109.2 Å²	109.2	44%	0.435	56%	0.558	S	S	.	*			trans	-55.8	118.3	-179.7	21.4	-31.1	0	0	0	108.6	L276 H280	L276-P278 WeakPolarHBondContact O-CD 3.41Å; P278-H280 PolarHBondContact O-N 3Å
279	L	32.3	Very low	35.8	Very low	72 Å²	72	108.8 Å²	108.8	38%	0.377	56%	0.555	S	S	.	*			trans	-77.4	74.8	175.6	-87.3	165.8	0	0	0	108.3	R217 K277 N281	R217-L279 HydrophobicContact CB-CD1 4.21Å; R217-L279 HydrophobicContact CG-CD1 3.88Å; K277-L279 PolarHBondContact O-N 3.35Å; L279-N281 PolarHBondContact O-N 2.81Å; L279-N281 VanDerWaalsContact O-N 3.15Å
280	H	32.3	Very low	36.2	Very low	158 Å²	158	106.4 Å²	106.4	73%	0.731	54%	0.535	S	S	*	.	T	Hydrogen-bonded Turn	trans	-46.7	122.3	166.4	-72.7	-47	0	0	0	108.8	P278	P278-H280 PolarHBondContact O-N 3Å
281	N	33.8	Very low	36.4	Very low	156 Å²	156	103.4 Å²	103.4	83%	0.834	52%	0.517	S	S	*	.	T	Hydrogen-bonded Turn	trans	80.1	17	166.9	-69.2	-22.5	0	0	0	121.2	L279	L279-N281 PolarHBondContact O-N 2.81Å; L279-N281 VanDerWaalsContact O-N 3.15Å
282	R	32.6	Very low	36.8	Very low	168 Å²	168	103.7 Å²	103.7	63%	0.634	51%	0.508	S	S	*	.			trans	-126.3	12.6	178.6	-70.8	-167.7	-170.9	-175.7	4.3	118.1	R217	R217-R282 PolarHBondContact NH1-O 3.28Å; R217-R282 VanDerWaalsContact NH1-O 3.14Å
283	F	37.7	Very low	37.1	Very low	71 Å²	71	105 Å²	105	31%	0.311	51%	0.513	S	S	.	.	T	Hydrogen-bonded Turn	trans	-75.4	-21.3	-179	-83.4	-78	0	0	0	114.9	V219	V219-F283 HydrophobicContact CB-CE1 4.23Å; V219-F283 HydrophobicContact CG1-CE1 3.65Å; V219-F283 HydrophobicContact CG1-CZ 4.15Å; V219-F283 HydrophobicContact CG2-CE1 3.74Å; V219-F283 HydrophobicContact CG2-CZ 3.69Å
284	C	34.5	Very low	37.6	Very low	60 Å²	60	99.4 Å²	99.4	41%	0.405	50%	0.497	S	S	.	.	T	Hydrogen-bonded Turn	trans	-95.8	-0.6	-175.1	-61.7	0	0	0	0	114.9
285	F	36.4	Very low	37.9	Very low	158 Å²	158	95.5 Å²	95.5	69%	0.693	48%	0.483	S	S	*	.	S	Bend	trans	-89.8	128.4	-177.5	-89.1	-83.8	0	0	0	112.7	I287	F285-I287 PolarHBondContact O-N 3.32Å
286	N	44.7	Very low	38.5	Very low	103 Å²	103	98.1 Å²	98.1	55%	0.551	49%	0.49	S	S	*	.			trans	56.9	40.2	170.6	-91.4	-9.8	0	0	0	115.9	T288 T289 R290	N286-T288 PolarHBondContact O-N 3.29Å; N286-T289 PolarHBondContact O-N 3.17Å; N286-R290 PolarHBondContact O-N 2.97Å; N286-R290 VanDerWaalsContact O-N 3.14Å
287	I	40.3	Very low	39.2	Very low	40 Å²	40	95.6 Å²	95.6	21%	0.205	48%	0.482	C	S	.	.	H	α-helix	trans	-50.8	-41.4	168.3	-72.1	176.8	0	0	0	110.3	T250 F285 R290 Q291	T250-I287 HydrophobicContact CG2-CD1 4.48Å; F285-I287 PolarHBondContact O-N 3.32Å; I287-R290 PolarHBondContact O-N 2.93Å; I287-Q291 HydrophobicContact CG2-CG 3.83Å; I287-Q291 VanDerWaalsContact CG2-NE2 3.33Å; I287-Q291 WeakPolarHBondContact O-CA 2.95Å; I287-Q291 WeakPolarHBondContact O-CB 3.35Å; I287-Q291 WeakPolarHBondContact O-CG 3.32Å; I287-Q291 PolarHBondContact O-N 2.91Å
288	T	44.4	Very low	39.6	Very low	83 Å²	83	92.8 Å²	92.8	51%	0.509	47%	0.467	S	S	.	.	H	α-helix	trans	-60.1	-49.6	179.2	33.8	0	0	0	0	113.9	N286 K292	N286-T288 PolarHBondContact O-N 3.29Å; T288-K292 WeakPolarHBondContact O-CB 3.29Å; T288-K292 PolarHBondContact O-N 2.96Å
289	T	46.7	Very low	39.9	Very low	78 Å²	78	95 Å²	95	48%	0.479	48%	0.476	S	S	.	.	H	α-helix	trans	-66.8	-43.2	179.9	-43.9	0	0	0	0	111.4	N286 K292 T293	N286-T289 PolarHBondContact O-N 3.17Å; T289-K292 WeakPolarHBondContact O-CB 3.4Å; T289-K292 PolarHBondContact O-N 3.2Å; T289-T293 PolarHBondContact O-N 3.4Å; T289-T293 PolarHBondContact O-OG1 3.26Å
290	R	43.1	Very low	40.2	Very low	107 Å²	107	98.9 Å²	98.9	40%	0.404	49%	0.489	S	S	.	.	H	α-helix	trans	-73.9	-35.2	-177.1	-79.1	166.7	150.8	-130.1	-10.6	113	D214 N286 I287 K292 T293 A294	D214-R290 IonicContact OD1-CZ 2.69Å; D214-R290 IonicContact OD1-NH1 2.74Å; D214-R290 IonicContact OD1-NH2 2.72Å; D214-R290 PolarHBondContact OD1-NH2 2.7Å; D214-R290 IonicContact OD2-CZ 3.75Å; D214-R290 IonicContact OD2-NH1 2.97Å; D214-R290 PolarHBondContact OD2-NH1 3.33Å; D214-R290 IonicContact OD2-NH2 3.32Å; D214-R290 PolarHBondContact OD2-NH2 3.47Å; N286-R290 PolarHBondContact O-N 2.97Å; N286-R290 VanDerWaalsContact O-N 3.14Å; I287-R290 PolarHBondContact O-N 2.93Å; R290-K292 VanDerWaalsContact C-N 3.33Å; R290-T293 CarbonylContact O-C 3.59Å; R290-T293 PolarHBondContact O-N 3.34Å; R290-A294 WeakPolarHBondContact O-CB 3.37Å; R290-A294 PolarHBondContact O-N 3.47Å
291	Q	40.9	Very low	40.4	Very low	45 Å²	45	98.8 Å²	98.8	21%	0.21	48%	0.484	C	S	.	.	H	α-helix	trans	-66.4	-38.2	170.8	-78.4	177.5	-24.9	0	0	110.9	I287 T293 A294 L295	I287-Q291 HydrophobicContact CG2-CG 3.83Å; I287-Q291 VanDerWaalsContact CG2-NE2 3.33Å; I287-Q291 WeakPolarHBondContact O-CA 2.95Å; I287-Q291 WeakPolarHBondContact O-CB 3.35Å; I287-Q291 WeakPolarHBondContact O-CG 3.32Å; I287-Q291 PolarHBondContact O-N 2.91Å; Q291-T293 VanDerWaalsContact C-N 3.32Å; Q291-T293 PolarHBondContact O-N 3.36Å; Q291-A294 PolarHBondContact O-N 3.46Å; Q291-L295 VanDerWaalsContact O-CB 3.27Å; Q291-L295 WeakPolarHBondContact O-CB 3.35Å; Q291-L295 WeakPolarHBondContact O-CG 3.29Å; Q291-L295 PolarHBondContact O-N 3.27Å
292	K	45.4	Very low	40.2	Very low	131 Å²	131	93 Å²	93	57%	0.57	46%	0.455	S	S	*	.	H	α-helix	trans	-59.9	-44.9	171.2	-170.1	178.8	-179.9	-179.6	0	111.1	T288 T289 R290 A294 L295 E296	T288-K292 WeakPolarHBondContact O-CB 3.29Å; T288-K292 PolarHBondContact O-N 2.96Å; T289-K292 WeakPolarHBondContact O-CB 3.4Å; T289-K292 PolarHBondContact O-N 3.2Å; R290-K292 VanDerWaalsContact C-N 3.33Å; K292-A294 PolarHBondContact O-N 3.24Å; K292-L295 PolarHBondContact O-N 3.23Å; K292-E296 VanDerWaalsContact CE-OE1 3.25Å; K292-E296 WeakPolarHBondContact CE-OE1 3.24Å; K292-E296 WeakPolarHBondContact O-CB 3.45Å; K292-E296 VanDerWaalsContact O-CG 3.27Å; K292-E296 WeakPolarHBondContact O-CG 3.42Å; K292-E296 PolarHBondContact O-N 2.93Å
293	T	46.4	Very low	40.1	Very low	80 Å²	80	94.8 Å²	94.8	49%	0.491	46%	0.464	S	S	.	.	H	α-helix	trans	-65.6	-37.7	175.1	-44.3	0	0	0	0	112.5	T289 R290 Q291 E296 A297	T289-T293 PolarHBondContact O-N 3.4Å; T289-T293 PolarHBondContact O-OG1 3.26Å; R290-T293 CarbonylContact O-C 3.59Å; R290-T293 PolarHBondContact O-N 3.34Å; Q291-T293 VanDerWaalsContact C-N 3.32Å; Q291-T293 PolarHBondContact O-N 3.36Å; T293-E296 PolarHBondContact O-N 3.24Å; T293-A297 WeakPolarHBondContact O-CB 3.49Å; T293-A297 PolarHBondContact O-N 2.78Å
294	A	43.1	Very low	39.8	Very low	43 Å²	43	95.7 Å²	95.7	36%	0.355	47%	0.471	S	S	.	.	H	α-helix	trans	-68.7	-39.2	176.8	0	0	0	0	0	111.4	R290 Q291 K292 A297 R298	R290-A294 WeakPolarHBondContact O-CB 3.37Å; R290-A294 PolarHBondContact O-N 3.47Å; Q291-A294 PolarHBondContact O-N 3.46Å; K292-A294 PolarHBondContact O-N 3.24Å; A294-A297 PolarHBondContact O-N 3.03Å; A294-R298 WeakPolarHBondContact O-CA 3.47Å; A294-R298 WeakPolarHBondContact O-CB 3.49Å; A294-R298 PolarHBondContact O-N 3.49Å
295	L	41	Very low	39.5	Very low	80 Å²	80	97 Å²	97	42%	0.419	47%	0.474	S	S	.	.	H	α-helix	trans	-64.3	-47.3	172	-80.3	161.8	0	0	0	110.8	Q291 K292 A297 R298 D299	Q291-L295 VanDerWaalsContact O-CB 3.27Å; Q291-L295 WeakPolarHBondContact O-CB 3.35Å; Q291-L295 WeakPolarHBondContact O-CG 3.29Å; Q291-L295 PolarHBondContact O-N 3.27Å; K292-L295 PolarHBondContact O-N 3.23Å; L295-A297 VanDerWaalsContact C-N 3.35Å; L295-A297 PolarHBondContact O-N 3.44Å; L295-R298 WeakPolarHBondContact O-CB 3.3Å; L295-R298 PolarHBondContact O-N 2.83Å; L295-D299 PolarHBondContact O-N 2.97Å
296	E	44.5	Very low	39.3	Very low	106 Å²	106	93.1 Å²	93.1	50%	0.495	46%	0.457	S	S	.	.	H	α-helix	trans	-63	-40.8	175.6	-75.5	174.4	-175.7	0	0	111.6	K292 T293 D299 K300	K292-E296 VanDerWaalsContact CE-OE1 3.25Å; K292-E296 WeakPolarHBondContact CE-OE1 3.24Å; K292-E296 WeakPolarHBondContact O-CB 3.45Å; K292-E296 VanDerWaalsContact O-CG 3.27Å; K292-E296 WeakPolarHBondContact O-CG 3.42Å; K292-E296 PolarHBondContact O-N 2.93Å; T293-E296 PolarHBondContact O-N 3.24Å; E296-D299 PolarHBondContact O-N 2.63Å; E296-K300 WeakPolarHBondContact O-CB 3.49Å; E296-K300 PolarHBondContact O-N 3.47Å
297	A	43.6	Very low	38.9	Very low	37 Å²	37	88.9 Å²	88.9	31%	0.306	44%	0.438	S	S	.	.	H	α-helix	trans	-69.3	-35.7	175.1	0	0	0	0	0	111.5	T293 A294 L295 K300 Y301	T293-A297 WeakPolarHBondContact O-CB 3.49Å; T293-A297 PolarHBondContact O-N 2.78Å; A294-A297 PolarHBondContact O-N 3.03Å; L295-A297 VanDerWaalsContact C-N 3.35Å; L295-A297 PolarHBondContact O-N 3.44Å; A297-K300 PolarHBondContact O-N 3.01Å; A297-Y301 HydrophobicContact CB-CD2 4.09Å; A297-Y301 WeakPolarHBondContact O-CB 3.5Å; A297-Y301 WeakPolarHBondContact O-CD2 3.43Å; A297-Y301 PolarHBondContact O-N 3.2Å
298	R	36.1	Very low	38.8	Very low	106 Å²	106	89.5 Å²	89.5	40%	0.4	44%	0.44	S	S	.	.	H	α-helix	trans	-59.6	-53.9	172.4	-164.2	179.4	84.6	172.5	6.9	108.3	A294 L295 K300 Y301 S302	A294-R298 WeakPolarHBondContact O-CA 3.47Å; A294-R298 WeakPolarHBondContact O-CB 3.49Å; A294-R298 PolarHBondContact O-N 3.49Å; L295-R298 WeakPolarHBondContact O-CB 3.3Å; L295-R298 PolarHBondContact O-N 2.83Å; R298-K300 PolarHBondContact O-N 3.1Å; R298-Y301 PolarHBondContact O-N 3.38Å; R298-S302 WeakPolarHBondContact O-CA 3.42Å; R298-S302 WeakPolarHBondContact O-CB 3.32Å; R298-S302 PolarHBondContact O-N 3.23Å; R298-S302 PolarHBondContact O-OG 3.45Å
299	D	38.9	Very low	38.7	Very low	114 Å²	114	88.5 Å²	88.5	61%	0.61	43%	0.429	S	S	*	.	H	α-helix	trans	-62.3	-30	179.3	-70.4	-9.6	0	0	0	113	L295 E296	L295-D299 PolarHBondContact O-N 2.97Å; E296-D299 PolarHBondContact O-N 2.63Å
300	K	38.7	Very low	38.9	Very low	152 Å²	152	85.7 Å²	85.7	66%	0.661	41%	0.411	S	S	*	.	H	α-helix	trans	-90	-28.9	-176.3	-156.5	176.4	-169.8	179.7	0	114.5	E296 A297 R298	E296-K300 WeakPolarHBondContact O-CB 3.49Å; E296-K300 PolarHBondContact O-N 3.47Å; A297-K300 PolarHBondContact O-N 3.01Å; R298-K300 PolarHBondContact O-N 3.1Å
301	Y	36.6	Very low	39.4	Very low	156 Å²	156	80.7 Å²	80.7	61%	0.612	39%	0.392	S	S	*	.	H	α-helix	trans	-120.6	-0.2	-174.2	-60.8	-72.7	0	0	0	114.1	A297 R298 Y303	A297-Y301 HydrophobicContact CB-CD2 4.09Å; A297-Y301 WeakPolarHBondContact O-CB 3.5Å; A297-Y301 WeakPolarHBondContact O-CD2 3.43Å; A297-Y301 PolarHBondContact O-N 3.2Å; R298-Y301 PolarHBondContact O-N 3.38Å; Y301-Y303 WeakPolarHBondContact O-CD2 3.4Å; Y301-Y303 PolarHBondContact O-N 2.88Å
302	S	29.6	Very low	40.3	Very low	35 Å²	35	78.6 Å²	78.6	25%	0.245	38%	0.382	C	S	.	.			trans	-72.4	71.2	175.6	67.5	0	0	0	0	111.6	R298 I304	R298-S302 WeakPolarHBondContact O-CA 3.42Å; R298-S302 WeakPolarHBondContact O-CB 3.32Å; R298-S302 PolarHBondContact O-N 3.23Å; R298-S302 PolarHBondContact O-OG 3.45Å; S302-I304 PolarHBondContact O-N 3.42Å
303	Y	30.8	Very low	41.2	Very low	205 Å²	205	72.4 Å²	72.4	80%	0.804	36%	0.356	S	S	*	.			trans	-81.3	24.2	145.6	-48	-83.3	0	0	0	109.9	Y301 N305	Y301-Y303 WeakPolarHBondContact O-CD2 3.4Å; Y301-Y303 PolarHBondContact O-N 2.88Å; Y303-N305 PolarHBondContact O-N 3.14Å
304	I	29.8	Very low	42.2	Very low	90 Å²	90	68.7 Å²	68.7	46%	0.462	33%	0.333	S	S	.	.			trans	-55.5	116	168.9	-62.3	170.2	0	0	0	104.2	S302 F306	S302-I304 PolarHBondContact O-N 3.42Å; I304-F306 WeakPolarHBondContact O-CD2 3.36Å; I304-F306 PolarHBondContact O-N 2.85Å
305	N	29.7	Very low	43.4	Very low	89 Å²	89	66.9 Å²	66.9	48%	0.476	32%	0.317	S	S	.	.			trans	-42	103.6	175.8	-100.6	-44.3	0	0	0	108.2	Y303 G307	Y303-N305 PolarHBondContact O-N 3.14Å; N305-G307 PolarHBondContact O-N 3.38Å
306	F	31.3	Very low	44.6	Very low	75 Å²	75	63 Å²	63	33%	0.329	30%	0.297	S	S	.	.			trans	-71.2	33.4	161.4	-64.2	-83.8	0	0	0	109.5	Y207 I304 Q308 Y406	Y207-F306 HydrophobicContact CD1-CD1 4.07Å; Y207-F306 HydrophobicContact CD1-CE1 4.46Å; Y207-F306 HydrophobicContact CD2-CE1 4.14Å; Y207-F306 HydrophobicContact CE1-CD1 4.1Å; Y207-F306 HydrophobicContact CE1-CE1 4.5Å; Y207-F306 HydrophobicContact CE2-CE1 4.18Å; Y207-F306 HydrophobicContact CG-CD1 4.27Å; Y207-F306 HydrophobicContact CG-CE1 4.25Å; I304-F306 WeakPolarHBondContact O-CD2 3.36Å; I304-F306 PolarHBondContact O-N 2.85Å; F306-Q308 HydrophobicContact CB-CG 4.39Å; F306-Q308 WeakPolarHBondContact O-CG 3.04Å; F306-Q308 PolarHBondContact O-N 3.34Å; F306-Y406 HydrophobicContact CB-CE2 3.93Å
307	G	35.2	Very low	45.4	Very low	15 Å²	15	58.3 Å²	58.3	16%	0.155	28%	0.276	C	S	.	.			trans	-61.7	90.5	148.9	0	0	0	0	0	104.1	N305 Q309	N305-G307 PolarHBondContact O-N 3.38Å; G307-Q309 PolarHBondContact O-N 3.46Å
308	Q	38.8	Very low	46	Very low	53 Å²	53	58.1 Å²	58.1	25%	0.248	27%	0.267	C	S	.	.			trans	-69	52.1	-176.2	-75.8	174.4	-26.9	0	0	109.4	Y207 F306 M310 V401	Y207-Q308 HydrophobicContact CE1-CG 4.12Å; F306-Q308 HydrophobicContact CB-CG 4.39Å; F306-Q308 WeakPolarHBondContact O-CG 3.04Å; F306-Q308 PolarHBondContact O-N 3.34Å; Q308-M310 PolarHBondContact O-N 3.39Å; Q308-V401 HydrophobicContact CB-CB 3.36Å; Q308-V401 HydrophobicContact CB-CG1 3.62Å; Q308-V401 HydrophobicContact CB-CG2 3.67Å; Q308-V401 HydrophobicContact CG-CB 4.15Å; Q308-V401 HydrophobicContact CG-CG1 4.04Å; Q308-V401 HydrophobicContact CG-CG2 4.15Å
309	Q	43.4	Very low	46.8	Very low	62 Å²	62	54.8 Å²	54.8	29%	0.29	26%	0.256	S	S	.	.	P	Polyproline II helix	trans	-68	121.5	168.4	-67.7	-177.2	-2.7	0	0	106.4	P205 C206 G307 V311	P205-Q309 WeakPolarHBondContact CA-O 3.18Å; C206-Q309 PolarHBondContact N-O 3.35Å; C206-Q309 VanDerWaalsContact N-O 3.16Å; C206-Q309 PolarHBondContact SG-O 2.86Å; G307-Q309 PolarHBondContact O-N 3.46Å; Q309-V311 PolarHBondContact O-N 2.89Å
310	M	49.8	Very low	47.4	Very low	18 Å²	18	53.5 Å²	53.5	9%	0.089	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.2	124.5	165	-61.2	-65.6	-84	0	0	106.9	A203 P205 Q308 F400 Y543	A203-M310 HydrophobicContact CB-CB 3.94Å; A203-M310 HydrophobicContact CB-CE 4.15Å; A203-M310 WeakPolarHBondContact O-CE 3.41Å; P205-M310 HydrophobicContact CB-SD 3.98Å; P205-M310 VanDerWaalsContact CD-SD 3.53Å; P205-M310 HydrophobicContact CG-SD 4.03Å; Q308-M310 PolarHBondContact O-N 3.39Å; M310-F400 HydrophobicContact CG-CD1 3.98Å; M310-F400 HydrophobicContact CG-CE1 4.26Å; M310-Y543 HydrophobicContact CE-CD1 4.13Å; M310-Y543 HydrophobicContact CE-CE1 3.54Å
311	V	54	Low	47.8	Very low	2 Å²	2	47.8 Å²	47.8	1%	0.012	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.7	117.4	164.2	-175.7	0	0	0	0	105.9	A203 Q204 C206 M209 Q309 F313	A203-V311 WeakPolarHBondContact CA-O 3.29Å; A203-V311 VanDerWaalsContact CB-O 3.24Å; A203-V311 WeakPolarHBondContact CB-O 3.28Å; Q204-V311 PolarHBondContact N-O 3.46Å; Q204-V311 PolarHBondContact O-N 3.07Å; C206-V311 HydrophobicContact CB-CG2 4.15Å; C206-V311 WeakPolarHBondContact SG-CG2 3.44Å; M209-V311 HydrophobicContact CE-CG2 4.32Å; Q309-V311 PolarHBondContact O-N 2.89Å; V311-F313 HydrophobicContact CB-CD1 4.43Å; V311-F313 HydrophobicContact CG1-CD1 3.97Å
312	V	59.6	Low	48.4	Very low	1 Å²	1	42.5 Å²	42.5	1%	0.006	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.4	130.6	168.6	-160.5	0	0	0	0	108.6	P201 V202 A203 L476 Y480	P201-V312 HydrophobicContact CB-CG1 4.26Å; V202-V312 CarbonylContact O-C 3.57Å; V202-V312 VanDerWaalsContact O-CA 3.23Å; V202-V312 WeakPolarHBondContact O-CA 3.42Å; A203-V312 HydrophobicContact CB-CB 3.95Å; A203-V312 HydrophobicContact CB-CG1 4.07Å; A203-V312 HydrophobicContact CB-CG2 3.63Å; V312-L476 HydrophobicContact CB-CB 3.67Å; V312-L476 HydrophobicContact CB-CD1 3.87Å; V312-L476 HydrophobicContact CB-CG 4.43Å; V312-L476 HydrophobicContact CG1-CB 3.8Å; V312-L476 HydrophobicContact CG1-CD1 3.54Å; V312-L476 HydrophobicContact CG1-CG 4.28Å; V312-L476 HydrophobicContact CG2-CB 3.77Å; V312-Y480 HydrophobicContact CG1-CD1 4.41Å; V312-Y480 HydrophobicContact CG1-CD2 3.92Å; V312-Y480 HydrophobicContact CG1-CE1 4.4Å; V312-Y480 HydrophobicContact CG1-CE2 3.93Å; V312-Y480 HydrophobicContact CG1-CG 4.19Å; V312-Y480 HydrophobicContact CG2-CD2 4.46Å; V312-Y480 HydrophobicContact CG2-CG 4.36Å
313	F	64	Low	49	Very low	2 Å²	2	46 Å²	46	1%	0.009	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.5	149.6	177.7	62.1	-84.9	0	0	0	110.6	P201 V202 Q204 M209 I226 V311 Y315 A471	P201-F313 CarbonylContact C-O 3.52Å; P201-F313 WeakPolarHBondContact CA-O 3.35Å; V202-F313 HydrophobicContact CB-CE2 4.49Å; V202-F313 HydrophobicContact CB-CZ 4.32Å; V202-F313 HydrophobicContact CG1-CE1 4.33Å; V202-F313 HydrophobicContact CG1-CZ 4.17Å; V202-F313 PolarHBondContact N-O 3.25Å; V202-F313 PolarHBondContact O-N 2.89Å; V202-F313 VanDerWaalsContact O-O 3.12Å; Q204-F313 HydrophobicContact CB-CE1 4.27Å; M209-F313 HydrophobicContact SD-CE1 3.99Å; M209-F313 HydrophobicContact SD-CZ 4.23Å; I226-F313 HydrophobicContact CD1-CZ 4.39Å; V311-F313 HydrophobicContact CB-CD1 4.43Å; V311-F313 HydrophobicContact CG1-CD1 3.97Å; F313-Y315 AromaticContact CE2-CD2 3.85Å; F313-Y315 HydrophobicContact CE2-CD2 3.85Å; F313-Y315 HydrophobicContact CE2-CG 4.29Å; F313-Y315 PolarHBondContact O-N 3.36Å; F313-A471 HydrophobicContact CB-CB 3.79Å
314	P	68.1	Low	49.6	Very low	1 Å²	1	39 Å²	39	1%	0.006	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.6	124.1	171.9	23.7	-22.7	0	0	0	109.5	L172 A199 V460 G469	L172-P314 HydrophobicContact CD1-CB 3.91Å; L172-P314 HydrophobicContact CD1-CG 3.58Å; L172-P314 HydrophobicContact CD2-CB 4.12Å; L172-P314 HydrophobicContact CD2-CG 4.28Å; A199-P314 HydrophobicContact CB-CB 3.91Å; P314-V460 HydrophobicContact CB-CG2 3.86Å; P314-V460 HydrophobicContact CG-CB 4.31Å; P314-V460 HydrophobicContact CG-CG1 4.07Å; P314-V460 HydrophobicContact CG-CG2 3.98Å; P314-G469 VanDerWaalsContact CD-O 3.32Å; P314-G469 WeakPolarHBondContact CD-O 3.45Å; P314-G469 VanDerWaalsContact CG-O 3.25Å; P314-G469 WeakPolarHBondContact CG-O 3.25Å
315	Y	67.9	Low	50.4	Low	5 Å²	5	37.2 Å²	37.2	2%	0.02	20%	0.198	C	C	.	.			trans	-98.9	98.2	-177	-176.3	-126.1	0	0	0	111.4	P200 V202 I226 F313 A317 W318 A321	P200-Y315 PolarHBondContact O-N 3Å; V202-Y315 HydrophobicContact CG2-CD1 4.15Å; V202-Y315 HydrophobicContact CG2-CG 4.05Å; I226-Y315 HydrophobicContact CB-CE1 4.42Å; I226-Y315 HydrophobicContact CD1-CD1 4.18Å; I226-Y315 HydrophobicContact CD1-CD2 3.89Å; I226-Y315 HydrophobicContact CD1-CE1 3.82Å; I226-Y315 HydrophobicContact CD1-CE2 3.52Å; I226-Y315 HydrophobicContact CD1-CG 4.19Å; I226-Y315 VanDerWaalsContact CD1-CZ 3.47Å; I226-Y315 HydrophobicContact CG2-CE1 3.79Å; F313-Y315 AromaticContact CE2-CD2 3.85Å; F313-Y315 HydrophobicContact CE2-CD2 3.85Å; F313-Y315 HydrophobicContact CE2-CG 4.29Å; F313-Y315 PolarHBondContact O-N 3.36Å; Y315-A317 HydrophobicContact CD2-CB 4.47Å; Y315-A317 HydrophobicContact CE1-CB 4.33Å; Y315-A317 HydrophobicContact CE2-CB 3.79Å; Y315-A317 PolarHBondContact O-N 3.21Å; Y315-W318 VanDerWaalsContact CD1-CA 3.43Å; Y315-W318 HydrophobicContact CD1-CB 3.66Å; Y315-W318 HydrophobicContact CD1-CD2 4.37Å; Y315-W318 AromaticContact CD1-CE3 3.71Å; Y315-W318 HydrophobicContact CD1-CE3 3.71Å; Y315-W318 HydrophobicContact CD1-CG 4.41Å; Y315-W318 VanDerWaalsContact CE1-CA 3.44Å; Y315-W318 HydrophobicContact CE1-CB 4.18Å; Y315-W318 HydrophobicContact CE1-CE3 4.05Å; Y315-W318 PolarHBondContact O-N 3.48Å; Y315-A321 HydrophobicContact CE1-CB 4.49Å
316	E	66.9	Low	51	Low	0 Å²	0	40.5 Å²	40.5	0%	0	21%	0.21	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63.3	-26.9	-177.5	-66.5	-173.2	114.7	0	0	113.9	P84 F85 R153 G171 L172 A199 Q319	P84-E316 HydrophobicContact CB-CB 3.64Å; P84-E316 HydrophobicContact CB-CG 4.04Å; P84-E316 WeakPolarHBondContact CB-O 3.35Å; P84-E316 HydrophobicContact CG-CB 3.92Å; P84-E316 HydrophobicContact CG-CG 4.07Å; F85-E316 HydrophobicContact CE2-CB 3.68Å; F85-E316 VanDerWaalsContact CE2-O 3.32Å; F85-E316 WeakPolarHBondContact CE2-O 3.48Å; F85-E316 HydrophobicContact CZ-CB 4.12Å; R153-E316 IonicContact CZ-OE1 3.8Å; R153-E316 IonicContact CZ-OE2 2.85Å; R153-E316 IonicContact NE-OE1 2.62Å; R153-E316 IonicContact NE-OE2 3.21Å; R153-E316 PolarHBondContact NE-OE2 2.87Å; R153-E316 IonicContact NH2-OE1 3.57Å; R153-E316 IonicContact NH2-OE2 3.27Å; G171-E316 WeakPolarHBondContact CA-OE1 3.36Å; L172-E316 HydrophobicContact CD1-CG 3.48Å; L172-E316 VanDerWaalsContact CD1-CG 3.48Å; L172-E316 HydrophobicContact CG-CG 3.83Å; L172-E316 WeakPolarHBondContact CG-OE1 3.33Å; L172-E316 PolarHBondContact N-OE1 3.31Å; A199-E316 HydrophobicContact CB-CG 4.31Å; E316-Q319 PolarHBondContact O-NE2 2.02Å; E316-Q319 PolarHBondContact O-OE1 2.8Å
317	A	60	Low	51.7	Low	6 Å²	6	45 Å²	45	5%	0.05	23%	0.227	C	C	.	.	T	Hydrogen-bonded Turn	trans	-95.3	14.5	-173.9	0	0	0	0	0	113.3	F85 Y315 Q319 L320	F85-A317 HydrophobicContact CE2-CB 3.95Å; F85-A317 HydrophobicContact CZ-CB 4.35Å; Y315-A317 HydrophobicContact CD2-CB 4.47Å; Y315-A317 HydrophobicContact CE1-CB 4.33Å; Y315-A317 HydrophobicContact CE2-CB 3.79Å; Y315-A317 PolarHBondContact O-N 3.21Å; A317-Q319 VanDerWaalsContact C-N 3.31Å; A317-Q319 PolarHBondContact O-N 3.33Å; A317-L320 HydrophobicContact CB-CD1 4.2Å; A317-L320 WeakPolarHBondContact O-CB 3.48Å; A317-L320 PolarHBondContact O-N 2.86Å
318	W	57.3	Low	52.4	Low	34 Å²	34	47.8 Å²	47.8	13%	0.129	24%	0.241	C	C	.	.	H	α-helix	trans	-55.8	-43.4	-175.8	-177.4	-102.5	0	0	0	113.5	P200 V202 Y315 L320 A321 Y322 A544	P200-W318 HydrophobicContact CG-CB 3.63Å; P200-W318 HydrophobicContact CG-CD2 3.89Å; P200-W318 HydrophobicContact CG-CG 3.46Å; P200-W318 VanDerWaalsContact CG-CG 3.46Å; V202-W318 HydrophobicContact CG2-CE3 4.31Å; V202-W318 HydrophobicContact CG2-CZ3 4.5Å; Y315-W318 VanDerWaalsContact CD1-CA 3.43Å; Y315-W318 HydrophobicContact CD1-CB 3.66Å; Y315-W318 HydrophobicContact CD1-CD2 4.37Å; Y315-W318 AromaticContact CD1-CE3 3.71Å; Y315-W318 HydrophobicContact CD1-CE3 3.71Å; Y315-W318 HydrophobicContact CD1-CG 4.41Å; Y315-W318 VanDerWaalsContact CE1-CA 3.44Å; Y315-W318 HydrophobicContact CE1-CB 4.18Å; Y315-W318 HydrophobicContact CE1-CE3 4.05Å; Y315-W318 PolarHBondContact O-N 3.48Å; W318-L320 PolarHBondContact O-N 3.26Å; W318-L320 VanDerWaalsContact O-N 3.17Å; W318-A321 PolarHBondContact O-N 3.46Å; W318-Y322 AromaticContact NE1-CD2 3.85Å; W318-Y322 PolarHBondContact O-N 2.84Å; W318-A544 HydrophobicContact CD2-CB 3.72Å; W318-A544 HydrophobicContact CE3-CB 3.42Å; W318-A544 VanDerWaalsContact CE3-CB 3.42Å; W318-A544 HydrophobicContact CH2-CB 3.16Å; W318-A544 WeakPolarHBondContact CH2-O 3.43Å; W318-A544 VanDerWaalsContact CZ2-C 3.44Å; W318-A544 HydrophobicContact CZ2-CB 3.47Å; W318-A544 VanDerWaalsContact CZ2-CB 3.47Å; W318-A544 WeakPolarHBondContact CZ2-O 3.48Å; W318-A544 HydrophobicContact CZ3-CB 3.16Å
319	Q	52.5	Low	52.7	Low	36 Å²	36	45.8 Å²	45.8	17%	0.168	23%	0.232	C	C	.	.	H	α-helix	trans	-61.6	-21.3	177.2	68.3	-76.4	6.2	0	0	113.6	W83 P84 E316 A317	W83-Q319 HydrophobicContact CE3-CB 4.11Å; W83-Q319 HydrophobicContact CE3-CG 4.43Å; W83-Q319 HydrophobicContact CZ3-CB 4.48Å; P84-Q319 PolarHBondContact O-NE2 3.06Å; E316-Q319 PolarHBondContact O-NE2 2.02Å; E316-Q319 PolarHBondContact O-OE1 2.8Å; A317-Q319 VanDerWaalsContact C-N 3.31Å; A317-Q319 PolarHBondContact O-N 3.33Å
320	L	51.4	Low	52.9	Low	87 Å²	87	48.5 Å²	48.5	46%	0.455	25%	0.245	S	C	.	.	H	α-helix	trans	-81.3	-21.4	173.8	-57.6	179.3	0	0	0	112.3	F227 A317 W318	F227-L320 HydrophobicContact CE1-CB 4.31Å; F227-L320 HydrophobicContact CZ-CB 4.42Å; A317-L320 HydrophobicContact CB-CD1 4.2Å; A317-L320 WeakPolarHBondContact O-CB 3.48Å; A317-L320 PolarHBondContact O-N 2.86Å; W318-L320 PolarHBondContact O-N 3.26Å; W318-L320 VanDerWaalsContact O-N 3.17Å
321	A	48	Very low	52.6	Low	32 Å²	32	55 Å²	55	26%	0.264	27%	0.273	S	S	.	.	H	α-helix	trans	-92.4	-6.8	179.1	0	0	0	0	0	113.1	I226 Y315 W318	I226-A321 HydrophobicContact CG2-CB 4.08Å; Y315-A321 HydrophobicContact CE1-CB 4.49Å; W318-A321 PolarHBondContact O-N 3.46Å
322	Y	47.3	Very low	52.1	Low	44 Å²	44	55.7 Å²	55.7	17%	0.173	28%	0.277	C	S	.	.	P	Polyproline II helix	trans	-80.1	132.1	-173.1	-153	-91.9	0	0	0	112.5	W318 Y547 Y548	W318-Y322 AromaticContact NE1-CD2 3.85Å; W318-Y322 PolarHBondContact O-N 2.84Å; Y322-Y547 WeakPolarHBondContact CE2-O 3.18Å; Y322-Y547 VanDerWaalsContact CZ-O 3.28Å; Y322-Y547 PolarHBondContact OH-O 3.39Å; Y322-Y548 WeakPolarHBondContact OH-CA 3.31Å; Y322-Y548 WeakPolarHBondContact OH-CD1 3.22Å
323	N	43.7	Very low	51.4	Low	108 Å²	108	62.3 Å²	62.3	58%	0.578	31%	0.308	S	S	*	.	P	Polyproline II helix	trans	-103.4	124.2	165.2	-74.8	-53.8	0	0	0	108.6	V325	N323-V325 PolarHBondContact O-N 2.84Å
324	P	43.3	Very low	50.5	Low	58 Å²	58	67.2 Å²	67.2	38%	0.377	33%	0.334	S	S	.	.	P	Polyproline II helix	trans	-58.4	138.9	175.5	23.3	-31	0	0	0	110.4	I549	P324-I549 HydrophobicContact CB-CB 4.4Å; P324-I549 HydrophobicContact CB-CG2 4.44Å
325	V	46	Very low	49.2	Very low	53 Å²	53	70.8 Å²	70.8	32%	0.321	35%	0.353	S	S	.	.	B	Isolated β-bridge	trans	-80.7	124.8	177.8	-171	0	0	0	0	107.6	N323 Y327 I549	N323-V325 PolarHBondContact O-N 2.84Å; V325-Y327 PolarHBondContact O-N 3.48Å; V325-I549 PolarHBondContact N-O 2.96Å
326	Q	42.4	Very low	48.1	Very low	158 Å²	158	71.8 Å²	71.8	74%	0.738	36%	0.359	S	S	*	.			trans	-79.8	0.8	-177.3	-75.8	-169.5	-17.5	0	0	114.5
327	Y	47	Very low	46.8	Very low	171 Å²	171	73.3 Å²	73.3	67%	0.671	37%	0.367	S	S	*	.	S	Bend	trans	-111.2	132.1	-172.9	-68	-79.4	0	0	0	111	V325 L329	V325-Y327 PolarHBondContact O-N 3.48Å; Y327-L329 PolarHBondContact O-N 3.23Å; Y327-L329 VanDerWaalsContact O-N 3.16Å
328	P	48.1	Very low	45.8	Very low	72 Å²	72	76.8 Å²	76.8	47%	0.468	38%	0.382	S	S	.	.			trans	-67.4	119	179.1	23.5	-30	0	0	0	110.7	E330 E550	P328-E330 HydrophobicContact CB-CG 4.04Å; P328-E330 PolarHBondContact O-N 3.4Å; P328-E550 WeakPolarHBondContact CA-OE1 3.13Å; P328-E550 WeakPolarHBondContact CB-OE1 3Å
329	L	46.9	Very low	44.9	Very low	11 Å²	11	81 Å²	81	6%	0.058	40%	0.398	C	S	.	.			trans	-82.6	22.1	176.7	-70.1	169.7	0	0	0	111.2	Y327 K331 V332 W355 H503 G504 A506 E550	Y327-L329 PolarHBondContact O-N 3.23Å; Y327-L329 VanDerWaalsContact O-N 3.16Å; L329-K331 PolarHBondContact O-N 2.85Å; L329-V332 HydrophobicContact CB-CG2 3.88Å; L329-V332 HydrophobicContact CD2-CG2 3.79Å; L329-V332 HydrophobicContact CG-CG2 4.37Å; L329-V332 PolarHBondContact O-N 3.3Å; L329-W355 HydrophobicContact CB-CH2 4.3Å; L329-W355 HydrophobicContact CB-CZ2 3.69Å; L329-W355 HydrophobicContact CD1-CH2 3.72Å; L329-W355 HydrophobicContact CD1-CZ2 3.59Å; L329-W355 HydrophobicContact CG-CZ2 4.28Å; L329-H503 VanDerWaalsContact CD2-O 3.32Å; L329-H503 WeakPolarHBondContact CD2-O 3.36Å; L329-G504 WeakPolarHBondContact CD2-O 3.45Å; L329-A506 HydrophobicContact CD1-CB 4.03Å; L329-E550 PolarHBondContact N-OE1 2.79Å; L329-E550 PolarHBondContact N-OE2 3.4Å
330	E	46.1	Very low	44.2	Very low	119 Å²	119	83.7 Å²	83.7	56%	0.556	41%	0.413	S	S	*	.	T	Hydrogen-bonded Turn	trans	-51.5	-8.9	-175.9	-77.7	-177	167.7	0	0	115.6	P328 R552	P328-E330 HydrophobicContact CB-CG 4.04Å; P328-E330 PolarHBondContact O-N 3.4Å; E330-R552 IonicContact OE1-NH1 2.53Å; E330-R552 PolarHBondContact OE1-NH1 3.08Å
331	K	44.4	Very low	43.6	Very low	156 Å²	156	83.5 Å²	83.5	68%	0.678	42%	0.42	S	S	*	.	T	Hydrogen-bonded Turn	trans	-118.5	9.8	177.5	-67.4	-169.8	177.7	-175.8	0	115.2	L329 E333	L329-K331 PolarHBondContact O-N 2.85Å; K331-E333 PolarHBondContact O-N 2.58Å; K331-E333 VanDerWaalsContact O-N 3.07Å
332	V	43.3	Very low	43.3	Very low	15 Å²	15	86.5 Å²	86.5	9%	0.091	44%	0.439	C	S	.	.			trans	-74.9	101.8	170.7	-176.4	0	0	0	0	107.2	L329 L336 M353	L329-V332 HydrophobicContact CB-CG2 3.88Å; L329-V332 HydrophobicContact CD2-CG2 3.79Å; L329-V332 HydrophobicContact CG-CG2 4.37Å; L329-V332 PolarHBondContact O-N 3.3Å; V332-L336 HydrophobicContact CG1-CD1 3.72Å; V332-L336 HydrophobicContact CG1-CD2 3.32Å; V332-L336 HydrophobicContact CG1-CG 3.38Å; V332-M353 HydrophobicContact CB-CE 3.82Å; V332-M353 HydrophobicContact CG1-CE 3.44Å; V332-M353 VanDerWaalsContact CG1-CE 3.44Å; V332-M353 HydrophobicContact CG2-CE 4.5Å
333	E	44.3	Very low	43	Very low	141 Å²	141	91.3 Å²	91.3	66%	0.659	46%	0.463	S	S	*	.			trans	-51.1	138.3	171.3	-69.5	171.8	-173.9	0	0	109.2	K331 N335 L336	K331-E333 PolarHBondContact O-N 2.58Å; K331-E333 VanDerWaalsContact O-N 3.07Å; E333-N335 PolarHBondContact O-N 2.94Å; E333-L336 PolarHBondContact O-N 3.15Å
334	D	46.5	Very low	43	Very low	105 Å²	105	87.7 Å²	87.7	56%	0.561	44%	0.443	S	S	*	.	S	Bend	trans	-53.1	-23.5	-174.8	-61	-37.4	0	0	0	113.1	L336 K352 M353	D334-L336 PolarHBondContact O-N 2.96Å; D334-K352 WeakPolarHBondContact O-CB 3.41Å; D334-M353 PolarHBondContact O-N 3.49Å
335	N	40.8	Very low	43.2	Very low	76 Å²	76	93.1 Å²	93.1	41%	0.406	46%	0.464	S	S	.	.			trans	-97.3	61	-179	-65	-28.6	0	0	0	112.3	E333 L337 Q338	E333-N335 PolarHBondContact O-N 2.94Å; N335-L337 PolarHBondContact O-N 3.47Å; N335-Q338 HydrophobicContact CB-CB 4.14Å; N335-Q338 HydrophobicContact CB-CG 4.08Å; N335-Q338 PolarHBondContact O-N 2.86Å
336	L	44.1	Very low	43.5	Very low	25 Å²	25	97.7 Å²	97.7	13%	0.131	49%	0.486	C	S	.	.	T	Hydrogen-bonded Turn	trans	-53	-24.2	177	-91.7	166.3	0	0	0	114.7	V332 E333 D334 M353 F500 A506	V332-L336 HydrophobicContact CG1-CD1 3.72Å; V332-L336 HydrophobicContact CG1-CD2 3.32Å; V332-L336 HydrophobicContact CG1-CG 3.38Å; E333-L336 PolarHBondContact O-N 3.15Å; D334-L336 PolarHBondContact O-N 2.96Å; L336-M353 HydrophobicContact CD1-CB 3.61Å; L336-M353 HydrophobicContact CD1-CE 3.7Å; L336-M353 HydrophobicContact CD1-CG 4.34Å; L336-M353 HydrophobicContact CD1-SD 3.84Å; L336-F500 HydrophobicContact CD2-CE1 4.27Å; L336-A506 HydrophobicContact CD1-CB 4.32Å; L336-A506 WeakPolarHBondContact CD1-O 3.39Å
337	L	40.2	Very low	44.1	Very low	33 Å²	33	93 Å²	93	17%	0.173	46%	0.462	C	S	.	.	T	Hydrogen-bonded Turn	trans	-128.6	10.9	-170.7	-73.5	158	0	0	0	114.3	N335 R339 V351 L487 C508	N335-L337 PolarHBondContact O-N 3.47Å; L337-R339 VanDerWaalsContact C-N 3.31Å; L337-R339 PolarHBondContact O-N 3.47Å; L337-V351 HydrophobicContact CB-CB 4.24Å; L337-V351 HydrophobicContact CD1-CB 3.42Å; L337-V351 VanDerWaalsContact CD1-CB 3.42Å; L337-V351 HydrophobicContact CD1-CG1 3.41Å; L337-V351 VanDerWaalsContact CD1-CG1 3.41Å; L337-V351 HydrophobicContact CD1-CG2 4.21Å; L337-V351 HydrophobicContact CG-CB 4.44Å; L337-L487 HydrophobicContact CD1-CD2 4.22Å; L337-L487 HydrophobicContact CD2-CD2 4.31Å; L337-C508 HydrophobicContact CD1-CB 4.37Å
338	Q	39	Very low	44.6	Very low	78 Å²	78	86 Å²	86	36%	0.364	44%	0.438	S	S	.	.			trans	-72.6	96.2	164.1	-75.7	-170.6	5.1	0	0	108.1	N335 D340	N335-Q338 HydrophobicContact CB-CB 4.14Å; N335-Q338 HydrophobicContact CB-CG 4.08Å; N335-Q338 PolarHBondContact O-N 2.86Å; Q338-D340 PolarHBondContact O-N 2.9Å
339	R	37.5	Very low	45.3	Very low	122 Å²	122	83.5 Å²	83.5	46%	0.46	42%	0.419	S	S	.	.			trans	-43.9	127.1	152.4	-171	-161.3	-175	165.8	-15.7	106.1	L337 S341 N344 Y347	L337-R339 VanDerWaalsContact C-N 3.31Å; L337-R339 PolarHBondContact O-N 3.47Å; R339-S341 PolarHBondContact O-N 2.75Å; R339-N344 WeakPolarHBondContact CD-ND2 3.44Å; R339-N344 PolarHBondContact NH1-ND2 3.17Å; R339-Y347 PolarHBondContact NH1-OH 3.12Å
340	D	37.8	Very low	46.2	Very low	93 Å²	93	84.1 Å²	84.1	50%	0.497	42%	0.424	S	S	.	.			trans	-7.6	99.8	175.9	-109.8	-39.8	0	0	0	110.9	Q338 S342 Q343	Q338-D340 PolarHBondContact O-N 2.9Å; D340-S342 PolarHBondContact O-N 3.46Å; D340-Q343 PolarHBondContact O-N 3.34Å
341	S	39.8	Very low	47.1	Very low	84 Å²	84	78.5 Å²	78.5	59%	0.587	40%	0.397	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53.6	-16	-175.1	45.3	0	0	0	0	112.7	R339 Q343	R339-S341 PolarHBondContact O-N 2.75Å; S341-Q343 PolarHBondContact O-N 2.81Å
342	S	40.5	Very low	48.2	Very low	95 Å²	95	72.9 Å²	72.9	66%	0.664	37%	0.373	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.2	-11.5	171.1	65.2	0	0	0	0	116	D340	D340-S342 PolarHBondContact O-N 3.46Å
343	Q	40.8	Very low	49.5	Very low	145 Å²	145	72.2 Å²	72.2	68%	0.678	37%	0.369	S	S	*	.	S	Bend	trans	-129.4	-4.9	-178.1	-72	-158.8	-7.3	0	0	118	D340 S341	D340-Q343 PolarHBondContact O-N 3.34Å; S341-Q343 PolarHBondContact O-N 2.81Å
344	N	45	Very low	50.9	Low	31 Å²	31	68 Å²	68	17%	0.166	35%	0.353	C	S	.	.			trans	-138.3	49.4	-169.1	-90.6	-2.3	0	0	0	114.5	R339 D346 Y347	R339-N344 WeakPolarHBondContact CD-ND2 3.44Å; R339-N344 PolarHBondContact NH1-ND2 3.17Å; N344-D346 PolarHBondContact O-N 2.81Å; N344-Y347 HydrophobicContact CB-CD2 3.55Å; N344-Y347 HydrophobicContact CB-CE2 3.98Å; N344-Y347 HydrophobicContact CB-CG 4.37Å; N344-Y347 WeakPolarHBondContact ND2-CD2 3.26Å; N344-Y347 WeakPolarHBondContact ND2-CE2 3.17Å; N344-Y347 PolarHBondContact O-N 3.19Å; N344-Y347 WeakPolarHBondContact OD1-CE2 3.5Å
345	E	47.3	Very low	52.4	Low	173 Å²	173	64.9 Å²	64.9	81%	0.808	33%	0.333	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53.8	-28.4	163.1	-70.9	-172.7	162.1	0	0	111.5	Y347	E345-Y347 VanDerWaalsContact C-N 3.32Å; E345-Y347 PolarHBondContact O-N 2.83Å
346	D	52.5	Low	54.3	Low	149 Å²	149	63.2 Å²	63.2	80%	0.797	33%	0.328	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76.4	-1.6	-175.7	-67	-21.5	0	0	0	116.5	N344 P348	N344-D346 PolarHBondContact O-N 2.81Å; D346-P348 WeakPolarHBondContact O-CD 3.31Å
347	Y	53.8	Low	56.3	Low	59 Å²	59	67.5 Å²	67.5	23%	0.231	36%	0.357	C	S	.	.			trans	-80.6	124.2	-178.9	-86.7	-112.9	0	0	0	111	R339 N344 E345 F349 K382	R339-Y347 PolarHBondContact NH1-OH 3.12Å; N344-Y347 HydrophobicContact CB-CD2 3.55Å; N344-Y347 HydrophobicContact CB-CE2 3.98Å; N344-Y347 HydrophobicContact CB-CG 4.37Å; N344-Y347 WeakPolarHBondContact ND2-CD2 3.26Å; N344-Y347 WeakPolarHBondContact ND2-CE2 3.17Å; N344-Y347 PolarHBondContact O-N 3.19Å; N344-Y347 WeakPolarHBondContact OD1-CE2 3.5Å; E345-Y347 VanDerWaalsContact C-N 3.32Å; E345-Y347 PolarHBondContact O-N 2.83Å; Y347-F349 HydrophobicContact CD1-CE1 4.02Å; Y347-F349 AromaticContact CD1-CZ 3.93Å; Y347-F349 HydrophobicContact CD1-CZ 3.93Å; Y347-F349 HydrophobicContact CE1-CZ 4.45Å; Y347-F349 PolarHBondContact O-N 2.87Å; Y347-F349 VanDerWaalsContact O-N 3.11Å; Y347-K382 WeakPolarHBondContact O-CD 3.43Å
348	P	58	Low	58.4	Low	25 Å²	25	68.5 Å²	68.5	16%	0.162	36%	0.358	C	S	.	.	S	Bend	trans	-74	-4	-173.1	21.5	-24.5	0	0	0	113.9	D346 V381 K382 A386	D346-P348 WeakPolarHBondContact O-CD 3.31Å; P348-V381 CarbonylContact O-C 3.58Å; P348-V381 VanDerWaalsContact O-CA 3.3Å; P348-V381 WeakPolarHBondContact O-CA 3.42Å; P348-V381 WeakPolarHBondContact O-CG1 3.07Å; P348-K382 PolarHBondContact O-N 3Å; P348-A386 HydrophobicContact CB-CB 3.46Å; P348-A386 VanDerWaalsContact CB-CB 3.46Å; P348-A386 HydrophobicContact CG-CB 4.44Å
349	F	63	Low	60.7	Low	18 Å²	18	66.9 Å²	66.9	8%	0.079	36%	0.355	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.2	149.9	-176.4	56.2	-79	0	0	0	112.2	Y347 F379 S380 Y482 K486 L487	Y347-F349 HydrophobicContact CD1-CE1 4.02Å; Y347-F349 AromaticContact CD1-CZ 3.93Å; Y347-F349 HydrophobicContact CD1-CZ 3.93Å; Y347-F349 HydrophobicContact CE1-CZ 4.45Å; Y347-F349 PolarHBondContact O-N 2.87Å; Y347-F349 VanDerWaalsContact O-N 3.11Å; F349-F379 HydrophobicContact CB-CE1 4.31Å; F349-F379 HydrophobicContact CB-CE2 3.64Å; F349-F379 HydrophobicContact CB-CZ 3.39Å; F349-F379 AromaticContact CD2-CE2 3.9Å; F349-F379 HydrophobicContact CD2-CE2 3.9Å; F349-F379 HydrophobicContact CD2-CZ 4.4Å; F349-F379 HydrophobicContact CG-CE2 4.01Å; F349-F379 HydrophobicContact CG-CZ 4.05Å; F349-S380 CarbonylContact C-O 3.58Å; F349-S380 WeakPolarHBondContact CA-O 3.15Å; F349-S380 VanDerWaalsContact CB-O 3.28Å; F349-S380 WeakPolarHBondContact CB-O 3.05Å; F349-Y482 HydrophobicContact CD1-CE1 4.35Å; F349-Y482 AromaticContact CE1-CE1 3.61Å; F349-Y482 HydrophobicContact CE1-CE1 3.61Å; F349-Y482 AromaticContact CE1-CZ 3.81Å; F349-Y482 WeakPolarHBondContact CE1-OH 3.16Å; F349-Y482 AromaticContact CZ-CE1 3.71Å; F349-Y482 HydrophobicContact CZ-CE1 3.71Å; F349-K486 HydrophobicContact CZ-CB 4.38Å; F349-L487 HydrophobicContact CD2-CD2 4.27Å; F349-L487 HydrophobicContact CE2-CD1 4.49Å; F349-L487 HydrophobicContact CE2-CD2 3.81Å; F349-L487 HydrophobicContact CE2-CG 4.03Å
350	V	65.2	Low	63.1	Low	24 Å²	24	69.5 Å²	69.5	15%	0.145	37%	0.372	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.5	142.4	172.2	-172.3	0	0	0	0	108.8	S380 K382	V350-S380 VanDerWaalsContact CB-OG 3.31Å; V350-S380 WeakPolarHBondContact CB-OG 2.69Å; V350-S380 PolarHBondContact N-O 3.4Å; V350-S380 PolarHBondContact N-OG 2.95Å; V350-S380 PolarHBondContact O-N 2.89Å; V350-S380 PolarHBondContact O-OG 2.66Å; V350-K382 HydrophobicContact CG2-CD 4.13Å; V350-K382 HydrophobicContact CG2-CG 3.94Å
351	V	65.5	Low	65.6	Low	1 Å²	1	66.1 Å²	66.1	1%	0.006	36%	0.356	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.1	125.2	165	176	0	0	0	0	108.2	L337 Y378 F379 L454 L487 C508 F509	L337-V351 HydrophobicContact CB-CB 4.24Å; L337-V351 HydrophobicContact CD1-CB 3.42Å; L337-V351 VanDerWaalsContact CD1-CB 3.42Å; L337-V351 HydrophobicContact CD1-CG1 3.41Å; L337-V351 VanDerWaalsContact CD1-CG1 3.41Å; L337-V351 HydrophobicContact CD1-CG2 4.21Å; L337-V351 HydrophobicContact CG-CB 4.44Å; V351-Y378 VanDerWaalsContact CA-O 3.24Å; V351-Y378 WeakPolarHBondContact CA-O 3.21Å; V351-F379 HydrophobicContact CG2-CD2 3.7Å; V351-F379 HydrophobicContact CG2-CE2 4.37Å; V351-L454 HydrophobicContact CG1-CD1 3.56Å; V351-L454 HydrophobicContact CG2-CD1 4.31Å; V351-L487 HydrophobicContact CG2-CD1 4.28Å; V351-L487 HydrophobicContact CG2-CD2 4.02Å; V351-C508 HydrophobicContact CG1-CB 3.8Å; V351-F509 HydrophobicContact CG2-CE2 4.32Å
352	K	67.8	Low	67.8	Low	39 Å²	39	66.3 Å²	66.3	17%	0.17	36%	0.358	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.6	159	175.6	76.8	178.9	-157	-141.1	0	110.2	D334 V354 C377 Y378 E449 E451	D334-K352 WeakPolarHBondContact O-CB 3.41Å; K352-V354 HydrophobicContact CD-CG2 4.14Å; K352-V354 HydrophobicContact CG-CG2 4.07Å; K352-C377 CarbonylContact O-C 3.11Å; K352-C377 VanDerWaalsContact O-CA 3.27Å; K352-C377 WeakPolarHBondContact O-CA 3.11Å; K352-Y378 PolarHBondContact N-O 2.78Å; K352-Y378 PolarHBondContact O-N 3.06Å; K352-E449 IonicContact NZ-OE2 3.51Å; K352-E449 PolarHBondContact NZ-OE2 2.61Å; K352-E451 WeakPolarHBondContact CD-OE1 3.27Å; K352-E451 WeakPolarHBondContact CD-OE2 3.43Å; K352-E451 WeakPolarHBondContact CE-OE1 3.3Å; K352-E451 WeakPolarHBondContact CE-OE2 3.11Å; K352-E451 IonicContact NZ-OE1 2.7Å; K352-E451 PolarHBondContact NZ-OE1 2.97Å; K352-E451 IonicContact NZ-OE2 3.76Å; K352-E451 PolarHBondContact NZ-OE2 3.35Å
353	M	69.6	Low	70	Confident	1 Å²	1	63 Å²	63	1%	0.005	34%	0.335	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.2	129.6	171.1	-178.4	179.3	66.1	0	0	108.7	V332 D334 L336 W355 A506 Y548	V332-M353 HydrophobicContact CB-CE 3.82Å; V332-M353 HydrophobicContact CG1-CE 3.44Å; V332-M353 VanDerWaalsContact CG1-CE 3.44Å; V332-M353 HydrophobicContact CG2-CE 4.5Å; D334-M353 PolarHBondContact O-N 3.49Å; L336-M353 HydrophobicContact CD1-CB 3.61Å; L336-M353 HydrophobicContact CD1-CE 3.7Å; L336-M353 HydrophobicContact CD1-CG 4.34Å; L336-M353 HydrophobicContact CD1-SD 3.84Å; M353-W355 HydrophobicContact CE-CZ2 3.7Å; M353-W355 HydrophobicContact SD-CZ2 3.92Å; M353-A506 HydrophobicContact CE-CB 4.17Å; M353-A506 HydrophobicContact SD-CB 3.77Å; M353-Y548 HydrophobicContact SD-CD2 3.61Å; M353-Y548 HydrophobicContact SD-CE2 3.87Å; M353-Y548 HydrophobicContact SD-CG 4.47Å
354	V	74.8	Confident	72.2	Confident	52 Å²	52	58.6 Å²	58.6	32%	0.315	32%	0.32	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.3	124	-179.9	-176	0	0	0	0	108.3	K352 H376 Y378	K352-V354 HydrophobicContact CD-CG2 4.14Å; K352-V354 HydrophobicContact CG-CG2 4.07Å; V354-H376 PolarHBondContact N-O 3.23Å; V354-H376 PolarHBondContact O-N 2.9Å; V354-Y378 HydrophobicContact CB-CD2 3.99Å; V354-Y378 HydrophobicContact CB-CE2 3.8Å; V354-Y378 HydrophobicContact CG2-CD2 3.69Å; V354-Y378 HydrophobicContact CG2-CE2 3.95Å
355	W	76.9	Confident	74	Confident	40 Å²	40	62.2 Å²	62.2	15%	0.152	34%	0.335	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.3	135.7	174.2	-70.8	101.2	0	0	0	111	L329 M353 R373 E374 G375 Y548 E550	L329-W355 HydrophobicContact CB-CH2 4.3Å; L329-W355 HydrophobicContact CB-CZ2 3.69Å; L329-W355 HydrophobicContact CD1-CH2 3.72Å; L329-W355 HydrophobicContact CD1-CZ2 3.59Å; L329-W355 HydrophobicContact CG-CZ2 4.28Å; M353-W355 HydrophobicContact CE-CZ2 3.7Å; M353-W355 HydrophobicContact SD-CZ2 3.92Å; W355-R373 HydrophobicContact CE3-CG 3.75Å; W355-R373 HydrophobicContact CZ3-CG 4.15Å; W355-E374 CarbonylContact C-O 3.51Å; W355-E374 WeakPolarHBondContact CA-O 3.32Å; W355-E374 VanDerWaalsContact CE3-C 3.41Å; W355-G375 VanDerWaalsContact CZ3-CA 3.5Å; W355-Y548 HydrophobicContact CH2-CG 4.38Å; W355-E550 HydrophobicContact CH2-CB 4.17Å; W355-E550 HydrophobicContact CZ3-CB 3.88Å
356	S	80.5	Confident	76	Confident	41 Å²	41	59.2 Å²	59.2	29%	0.287	33%	0.33	S	S	.	.	P	Polyproline II helix	trans	-63.3	157.7	163.9	79.9	0	0	0	0	109.9	E374	S356-E374 PolarHBondContact N-O 2.93Å; S356-E374 PolarHBondContact OG-N 3.31Å
357	P	85.9	Confident	77.7	Confident	114 Å²	114	60.2 Å²	60.2	74%	0.74	32%	0.324	S	S	*	.	P	Polyproline II helix	trans	-53.6	153.3	162.8	-23.5	34.3	0	0	0	111.1
358	W	85.3	Confident	79.5	Confident	54 Å²	54	61.3 Å²	61.3	21%	0.205	33%	0.332	C	S	.	.	P	Polyproline II helix	trans	-64.1	135.5	169.6	-73.5	102.4	0	0	0	110.3	Q371 R373 E550 R552	W358-Q371 HydrophobicContact CE3-CB 3.81Å; W358-Q371 HydrophobicContact CZ3-CB 4.43Å; W358-R373 HydrophobicContact CD2-CB 4.03Å; W358-R373 HydrophobicContact CD2-CG 3.89Å; W358-R373 VanDerWaalsContact CE2-CD 3.45Å; W358-R373 HydrophobicContact CE3-CB 3.87Å; W358-R373 HydrophobicContact CE3-CG 3.77Å; W358-R373 HydrophobicContact CG-CB 4.48Å; W358-R373 HydrophobicContact CH2-CG 3.83Å; W358-R373 HydrophobicContact CZ2-CG 3.91Å; W358-R373 VanDerWaalsContact CZ2-NE 3.31Å; W358-R373 HydrophobicContact CZ3-CB 4.26Å; W358-R373 HydrophobicContact CZ3-CG 3.74Å; W358-E550 HydrophobicContact CH2-CB 4.06Å; W358-E550 HydrophobicContact CH2-CG 3.7Å; W358-E550 WeakPolarHBondContact CH2-OE1 3.38Å; W358-E550 HydrophobicContact CZ2-CG 4.4Å; W358-E550 VanDerWaalsContact CZ2-OE1 3.29Å; W358-E550 WeakPolarHBondContact CZ2-OE1 3.32Å; W358-R552 HydrophobicContact CE3-CG 4.14Å; W358-R552 HydrophobicContact CH2-CB 3.97Å; W358-R552 HydrophobicContact CH2-CG 3.66Å; W358-R552 HydrophobicContact CZ2-CG 4.16Å; W358-R552 HydrophobicContact CZ3-CB 4.25Å; W358-R552 HydrophobicContact CZ3-CG 3.67Å
359	S	86.5	Confident	81	Confident	44 Å²	44	60.1 Å²	60.1	31%	0.308	33%	0.325	S	S	.	.	P	Polyproline II helix	trans	-63.1	165.4	171.2	66.5	0	0	0	0	111.4	Q371 T372	S359-Q371 WeakPolarHBondContact O-CG 3.17Å; S359-Q371 PolarHBondContact O-NE2 2.94Å; S359-T372 WeakPolarHBondContact CB-O 3.21Å; S359-T372 PolarHBondContact N-O 2.85Å; S359-T372 PolarHBondContact OG-N 3.39Å; S359-T372 PolarHBondContact OG-O 2.88Å; S359-T372 VanDerWaalsContact OG-O 3.12Å; S359-T372 PolarHBondContact OG-OG1 3.27Å
360	H	89.1	Confident	82	Confident	177 Å²	177	64.8 Å²	64.8	82%	0.819	34%	0.342	S	S	*	.	P	Polyproline II helix	trans	-62.9	147.6	172.2	-64	-67	0	0	0	111.1	S362	H360-S362 PolarHBondContact O-N 2.88Å
361	C	89.4	Confident	83	Confident	23 Å²	23	65.3 Å²	65.3	16%	0.155	34%	0.342	C	S	.	.	P	Polyproline II helix	trans	-64.5	130	177.7	-170	0	0	0	0	110	A363 Q371 C554 A556	C361-A363 PolarHBondContact O-N 3.13Å; C361-A363 PolarHBondContact SG-O 3.19Å; C361-Q371 HydrophobicContact CB-CG 4.05Å; C361-C554 WeakPolarHBondContact CA-SG 3.11Å; C361-C554 HydrophobicContact CB-CB 3.87Å; C361-C554 WeakPolarHBondContact CB-SG 3.4Å; C361-C554 WeakPolarHBondContact SG-CB 3.28Å; C361-C554 PolarHBondContact SG-O 2.81Å; C361-C554 CovalentContact SG-SG 2.02Å; C361-C554 PolarHBondContact SG-SG 2.85Å; C361-A556 HydrophobicContact CB-CB 3.68Å
362	S	87.3	Confident	83.7	Confident	88 Å²	88	67.8 Å²	67.8	62%	0.615	36%	0.358	S	S	*	.	S	Bend	trans	-70.9	-7.8	-176.4	74.2	0	0	0	0	114.6	H360 G369 W370	H360-S362 PolarHBondContact O-N 2.88Å; S362-G369 WeakPolarHBondContact OG-CA 3.28Å; S362-W370 WeakPolarHBondContact CB-O 3.24Å; S362-W370 PolarHBondContact N-O 2.9Å; S362-W370 PolarHBondContact OG-N 3.1Å
363	A	85.1	Confident	84.3	Confident	24 Å²	24	67.4 Å²	67.4	20%	0.198	36%	0.355	C	S	.	.	S	Bend	trans	-145.5	151.1	179.8	0	0	0	0	0	112.3	C361 A556	C361-A363 PolarHBondContact O-N 3.13Å; C361-A363 PolarHBondContact SG-O 3.19Å; A363-A556 PolarHBondContact O-N 2.69Å
364	C	87.4	Confident	84.7	Confident	53 Å²	53	70.6 Å²	70.6	36%	0.358	37%	0.37	S	S	.	.	B	Isolated β-bridge	trans	-91.9	151.2	175.1	-53.7	0	0	0	0	110.7	Y367 A556 C558	C364-Y367 WeakPolarHBondContact O-CA 3.43Å; C364-Y367 WeakPolarHBondContact O-CB 3.27Å; C364-Y367 PolarHBondContact O-N 3.45Å; C364-A556 WeakPolarHBondContact CA-O 3.23Å; C364-C558 HydrophobicContact CB-CB 3.7Å; C364-C558 WeakPolarHBondContact CB-SG 3.42Å; C364-C558 WeakPolarHBondContact SG-CB 3.22Å; C364-C558 CovalentContact SG-SG 2.03Å; C364-C558 PolarHBondContact SG-SG 3.32Å
365	K	83.6	Confident	84.6	Confident	108 Å²	108	68.1 Å²	68.1	47%	0.47	36%	0.355	S	S	.	.	T	Hydrogen-bonded Turn	trans	-52.8	143.5	169.4	-72.8	-179.6	-164.9	154	0	111	Y367 Y555 A556 D557	K365-Y367 VanDerWaalsContact C-N 3.32Å; K365-Y555 HydrophobicContact CG-CD1 4.08Å; K365-Y555 HydrophobicContact CG-CG 4.3Å; K365-A556 PolarHBondContact N-O 2.92Å; K365-D557 VanDerWaalsContact CD-OD1 3.32Å; K365-D557 WeakPolarHBondContact CD-OD1 2.96Å; K365-D557 WeakPolarHBondContact CE-OD1 2.98Å; K365-D557 VanDerWaalsContact NZ-CG 3.29Å; K365-D557 IonicContact NZ-OD1 3.1Å; K365-D557 PolarHBondContact NZ-OD1 2.95Å; K365-D557 IonicContact NZ-OD2 2.68Å; K365-D557 PolarHBondContact NZ-OD2 2.82Å; K365-D557 VanDerWaalsContact NZ-OD2 3.1Å
366	P	88.7	Confident	84.6	Confident	109 Å²	109	66.7 Å²	66.7	71%	0.708	35%	0.35	S	S	*	.	T	Hydrogen-bonded Turn	cis	-84.2	4.3	4.5	35.6	-36.6	0	0	0	114.2
367	Y	89.2	Confident	84.2	Confident	171 Å²	171	64.7 Å²	64.7	67%	0.671	34%	0.336	S	S	*	.	S	Bend	trans	-79.4	136.1	-177.9	-56.7	-76.7	0	0	0	111.2	C364 K365 G369 Y555	C364-Y367 WeakPolarHBondContact O-CA 3.43Å; C364-Y367 WeakPolarHBondContact O-CB 3.27Å; C364-Y367 PolarHBondContact O-N 3.45Å; K365-Y367 VanDerWaalsContact C-N 3.32Å; Y367-G369 PolarHBondContact O-N 2.83Å; Y367-Y555 WeakPolarHBondContact O-CD1 3.12Å
368	M	90.4	Very high	83.7	Confident	81 Å²	81	61.2 Å²	61.2	40%	0.399	31%	0.309	S	S	.	.			trans	-76.4	121.9	174	-172.3	172.2	67.3	0	0	109.4	Q553 Y555	M368-Q553 HydrophobicContact CE-CG 4.2Å; M368-Q553 HydrophobicContact CG-CB 4.07Å; M368-Q553 HydrophobicContact CG-CG 4.2Å; M368-Q553 HydrophobicContact SD-CB 3.91Å; M368-Q553 HydrophobicContact SD-CG 3.67Å; M368-Q553 PolarHBondContact SD-OE1 3.3Å; M368-Y555 HydrophobicContact CB-CE1 3.76Å; M368-Y555 HydrophobicContact CG-CE1 4.27Å; M368-Y555 HydrophobicContact CG-CE2 4.28Å
369	G	89.2	Confident	83	Confident	1 Å²	1	58.7 Å²	58.7	1%	0.01	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.2	-176	174.5	0	0	0	0	0	112.1	S362 Y367 Q553 C554	S362-G369 WeakPolarHBondContact OG-CA 3.28Å; Y367-G369 PolarHBondContact O-N 2.83Å; G369-Q553 WeakPolarHBondContact O-CA 3.5Å; G369-C554 PolarHBondContact N-O 3.16Å; G369-C554 PolarHBondContact O-N 3.36Å; G369-C554 PolarHBondContact O-SG 2.7Å
370	W	84.2	Confident	82.1	Confident	116 Å²	116	56.9 Å²	56.9	44%	0.439	29%	0.287	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.4	142.4	171.3	-66.7	90.6	0	0	0	110.4	S362 Q551 R552 Q553 C554	S362-W370 WeakPolarHBondContact CB-O 3.24Å; S362-W370 PolarHBondContact N-O 2.9Å; S362-W370 PolarHBondContact OG-N 3.1Å; W370-Q551 HydrophobicContact CE3-CB 4.12Å; W370-Q551 HydrophobicContact CZ3-CB 4.34Å; W370-R552 WeakPolarHBondContact CA-O 3.42Å; W370-Q553 HydrophobicContact CE3-CG 4.32Å; W370-Q553 HydrophobicContact CH2-CG 3.75Å; W370-Q553 HydrophobicContact CZ2-CG 4.05Å; W370-Q553 HydrophobicContact CZ3-CG 3.9Å; W370-C554 PolarHBondContact N-SG 3.48Å; W370-C554 VanDerWaalsContact N-SG 3.4Å
371	Q	86.8	Confident	81	Confident	34 Å²	34	49 Å²	49	16%	0.159	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.2	149.6	161.8	-71.3	178.7	-46.7	0	0	108.7	W358 S359 C361 Q551 R552 C554	W358-Q371 HydrophobicContact CE3-CB 3.81Å; W358-Q371 HydrophobicContact CZ3-CB 4.43Å; S359-Q371 WeakPolarHBondContact O-CG 3.17Å; S359-Q371 PolarHBondContact O-NE2 2.94Å; C361-Q371 HydrophobicContact CB-CG 4.05Å; Q371-Q551 WeakPolarHBondContact O-CA 3.46Å; Q371-R552 HydrophobicContact CB-CG 4.39Å; Q371-R552 PolarHBondContact N-O 3.07Å; Q371-R552 PolarHBondContact O-N 3.06Å; Q371-C554 HydrophobicContact CG-CB 3.86Å
372	T	80.5	Confident	79.7	Confident	54 Å²	54	53.1 Å²	53.1	33%	0.331	27%	0.266	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.8	146.1	179.3	54.3	0	0	0	0	109.1	S359 E550 Q551	S359-T372 WeakPolarHBondContact CB-O 3.21Å; S359-T372 PolarHBondContact N-O 2.85Å; S359-T372 PolarHBondContact OG-N 3.39Å; S359-T372 PolarHBondContact OG-O 2.88Å; S359-T372 VanDerWaalsContact OG-O 3.12Å; S359-T372 PolarHBondContact OG-OG1 3.27Å; T372-E550 CarbonylContact C-O 2.81Å; T372-E550 VanDerWaalsContact CA-O 3.26Å; T372-E550 WeakPolarHBondContact CA-O 3.2Å; T372-Q551 HydrophobicContact CG2-CG 3.87Å
373	R	80.3	Confident	78.2	Confident	30 Å²	30	51.4 Å²	51.4	11%	0.113	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139	158.6	163.5	64.7	172.3	-179.8	-175.6	-1.7	110.2	W355 W358 I549 E550	W355-R373 HydrophobicContact CE3-CG 3.75Å; W355-R373 HydrophobicContact CZ3-CG 4.15Å; W358-R373 HydrophobicContact CD2-CB 4.03Å; W358-R373 HydrophobicContact CD2-CG 3.89Å; W358-R373 VanDerWaalsContact CE2-CD 3.45Å; W358-R373 HydrophobicContact CE3-CB 3.87Å; W358-R373 HydrophobicContact CE3-CG 3.77Å; W358-R373 HydrophobicContact CG-CB 4.48Å; W358-R373 HydrophobicContact CH2-CG 3.83Å; W358-R373 HydrophobicContact CZ2-CG 3.91Å; W358-R373 VanDerWaalsContact CZ2-NE 3.31Å; W358-R373 HydrophobicContact CZ3-CB 4.26Å; W358-R373 HydrophobicContact CZ3-CG 3.74Å; R373-I549 WeakPolarHBondContact O-CA 3.24Å; R373-E550 HydrophobicContact CG-CB 3.89Å; R373-E550 IonicContact CZ-OE1 2.71Å; R373-E550 IonicContact CZ-OE2 3.42Å; R373-E550 PolarHBondContact N-O 3.16Å; R373-E550 IonicContact NE-OE1 3.18Å; R373-E550 IonicContact NE-OE2 3.31Å; R373-E550 PolarHBondContact NE-OE2 2.77Å; R373-E550 IonicContact NH2-OE1 3.59Å; R373-E550 PolarHBondContact NH2-OE1 3.43Å; R373-E550 IonicContact NH2-OE2 3.57Å; R373-E550 PolarHBondContact NH2-OE2 3.14Å; R373-E550 PolarHBondContact O-N 2.83Å
374	E	77.1	Confident	76.6	Confident	68 Å²	68	56.3 Å²	56.3	32%	0.318	27%	0.271	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.8	131.7	-177.7	-57.8	-171.9	162.5	0	0	111	W355 S356 H376 Y547 Y548	W355-E374 CarbonylContact C-O 3.51Å; W355-E374 WeakPolarHBondContact CA-O 3.32Å; W355-E374 VanDerWaalsContact CE3-C 3.41Å; S356-E374 PolarHBondContact N-O 2.93Å; S356-E374 PolarHBondContact OG-N 3.31Å; E374-H376 IonicContact OE2-CE1 2.85Å; E374-H376 IonicContact OE2-NE2 3.92Å; E374-H376 PolarHBondContact OE2-NE2 2.63Å; E374-Y547 HydrophobicContact CB-CE2 3.91Å; E374-Y547 HydrophobicContact CG-CE2 4.03Å; E374-Y547 PolarHBondContact OE1-OH 3.06Å; E374-Y548 CarbonylContact C-O 3.6Å; E374-Y548 WeakPolarHBondContact CA-O 3.28Å
375	G	73.7	Confident	74.9	Confident	0 Å²	0	60.1 Å²	60.1	0%	0	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.3	120	172.6	0	0	0	0	0	108.9	W355 Y547 Y548	W355-G375 VanDerWaalsContact CZ3-CA 3.5Å; G375-Y547 CarbonylContact O-C 3.44Å; G375-Y547 VanDerWaalsContact O-CA 3.29Å; G375-Y547 WeakPolarHBondContact O-CA 3.34Å; G375-Y548 PolarHBondContact N-O 3.48Å; G375-Y548 PolarHBondContact O-N 3.48Å
376	H	76.4	Confident	73.4	Confident	10 Å²	10	56 Å²	56	5%	0.046	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.3	128.8	177.4	-68.3	-93.6	0	0	0	108.7	V354 E374 Y378 G546 Y547	V354-H376 PolarHBondContact N-O 3.23Å; V354-H376 PolarHBondContact O-N 2.9Å; E374-H376 IonicContact OE2-CE1 2.85Å; E374-H376 IonicContact OE2-NE2 3.92Å; E374-H376 PolarHBondContact OE2-NE2 2.63Å; H376-Y378 HydrophobicContact CB-CD2 4.36Å; H376-Y378 HydrophobicContact CB-CE2 3.61Å; H376-Y378 VanDerWaalsContact O-CD2 3.28Å; H376-Y378 WeakPolarHBondContact O-CD2 3.21Å; H376-Y378 WeakPolarHBondContact O-CE2 3.03Å; H376-G546 CarbonylContact C-O 3.57Å; H376-G546 WeakPolarHBondContact CA-O 3.27Å; H376-Y547 AromaticContact CE1-CD2 3.51Å; H376-Y547 AromaticContact CE1-CE2 3.41Å; H376-Y547 VanDerWaalsContact CE1-CE2 3.41Å; H376-Y547 WeakPolarHBondContact CE1-CE2 3.45Å; H376-Y547 AromaticContact ND1-CD2 3.87Å; H376-Y547 AromaticContact NE2-CD2 3.97Å; H376-Y547 AromaticContact NE2-CE2 3.61Å
377	C	72.1	Confident	71.5	Confident	0 Å²	0	57.9 Å²	57.9	0%	0	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.9	136.2	172.3	-65.1	0	0	0	0	111.2	K352 R453 L454 C508 G546	K352-C377 CarbonylContact O-C 3.11Å; K352-C377 VanDerWaalsContact O-CA 3.27Å; K352-C377 WeakPolarHBondContact O-CA 3.11Å; C377-R453 WeakPolarHBondContact O-CA 3.35Å; C377-L454 HydrophobicContact CB-CB 4.39Å; C377-L454 HydrophobicContact CB-CD1 3.7Å; C377-L454 HydrophobicContact CB-CG 4.42Å; C377-L454 PolarHBondContact O-N 3.31Å; C377-C508 HydrophobicContact CB-CB 3.47Å; C377-C508 VanDerWaalsContact CB-CB 3.47Å; C377-C508 WeakPolarHBondContact CB-SG 3.33Å; C377-C508 WeakPolarHBondContact SG-CA 3.48Å; C377-C508 WeakPolarHBondContact SG-CB 3.14Å; C377-C508 CovalentContact SG-SG 2.02Å; C377-C508 PolarHBondContact SG-SG 3.18Å; C377-G546 PolarHBondContact N-O 2.84Å
378	Y	74.6	Confident	69.5	Low	41 Å²	41	50.6 Å²	50.6	16%	0.161	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.4	139.5	-178.8	-71.3	-95.3	0	0	0	109.9	V351 K352 V354 H376 E451 F452 R453	V351-Y378 VanDerWaalsContact CA-O 3.24Å; V351-Y378 WeakPolarHBondContact CA-O 3.21Å; K352-Y378 PolarHBondContact N-O 2.78Å; K352-Y378 PolarHBondContact O-N 3.06Å; V354-Y378 HydrophobicContact CB-CD2 3.99Å; V354-Y378 HydrophobicContact CB-CE2 3.8Å; V354-Y378 HydrophobicContact CG2-CD2 3.69Å; V354-Y378 HydrophobicContact CG2-CE2 3.95Å; H376-Y378 HydrophobicContact CB-CD2 4.36Å; H376-Y378 HydrophobicContact CB-CE2 3.61Å; H376-Y378 VanDerWaalsContact O-CD2 3.28Å; H376-Y378 WeakPolarHBondContact O-CD2 3.21Å; H376-Y378 WeakPolarHBondContact O-CE2 3.03Å; Y378-E451 VanDerWaalsContact CB-OE2 3.23Å; Y378-E451 WeakPolarHBondContact CB-OE2 3.22Å; Y378-E451 HydrophobicContact CD1-CB 3.97Å; Y378-E451 HydrophobicContact CG-CB 4.35Å; Y378-F452 CarbonylContact C-O 3.57Å; Y378-F452 VanDerWaalsContact CA-O 3.28Å; Y378-F452 WeakPolarHBondContact CA-O 3.11Å; Y378-R453 HydrophobicContact CD1-CG 4.12Å; Y378-R453 HydrophobicContact CE1-CG 3.47Å; Y378-R453 VanDerWaalsContact CE1-CG 3.47Å; Y378-R453 HydrophobicContact CE2-CG 4.48Å; Y378-R453 PolarHBondContact OH-NE 2.94Å; Y378-R453 VanDerWaalsContact OH-NE 3.1Å
379	F	71.8	Confident	67.3	Low	0 Å²	0	49.3 Å²	49.3	0%	0	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.9	132.6	171.5	-178.9	-84.8	0	0	0	109.2	F349 V351 V381 F434 E451 F452 L454 F459 F483	F349-F379 HydrophobicContact CB-CE1 4.31Å; F349-F379 HydrophobicContact CB-CE2 3.64Å; F349-F379 HydrophobicContact CB-CZ 3.39Å; F349-F379 AromaticContact CD2-CE2 3.9Å; F349-F379 HydrophobicContact CD2-CE2 3.9Å; F349-F379 HydrophobicContact CD2-CZ 4.4Å; F349-F379 HydrophobicContact CG-CE2 4.01Å; F349-F379 HydrophobicContact CG-CZ 4.05Å; V351-F379 HydrophobicContact CG2-CD2 3.7Å; V351-F379 HydrophobicContact CG2-CE2 4.37Å; F379-V381 HydrophobicContact CD1-CG2 4.41Å; F379-V381 HydrophobicContact CE1-CG2 3.61Å; F379-V381 HydrophobicContact CZ-CG2 4.39Å; F379-F434 HydrophobicContact CE1-CD1 4.43Å; F379-F434 AromaticContact CE1-CE1 3.73Å; F379-F434 HydrophobicContact CE1-CE1 3.73Å; F379-F434 AromaticContact CZ-CE1 3.61Å; F379-F434 HydrophobicContact CZ-CE1 3.61Å; F379-F434 HydrophobicContact CZ-CZ 4.31Å; F379-E451 WeakPolarHBondContact O-CA 3.16Å; F379-F452 HydrophobicContact CB-CD1 4.28Å; F379-F452 HydrophobicContact CB-CE1 3.95Å; F379-F452 HydrophobicContact CB-CZ 4.2Å; F379-F452 HydrophobicContact CD1-CD1 4.15Å; F379-F452 AromaticContact CD1-CE1 3.27Å; F379-F452 HydrophobicContact CD1-CE1 3.27Å; F379-F452 AromaticContact CD1-CZ 3.76Å; F379-F452 HydrophobicContact CD1-CZ 3.76Å; F379-F452 HydrophobicContact CE1-CE1 4.12Å; F379-F452 HydrophobicContact CG-CE1 4.01Å; F379-F452 HydrophobicContact CG-CZ 4.26Å; F379-F452 PolarHBondContact N-O 3.19Å; F379-F452 WeakPolarHBondContact O-CD1 3.23Å; F379-F452 PolarHBondContact O-N 2.86Å; F379-L454 HydrophobicContact CB-CD2 3.67Å; F379-L454 HydrophobicContact CB-CG 3.98Å; F379-L454 HydrophobicContact CD2-CD2 4.27Å; F379-L454 HydrophobicContact CG-CD2 4.32Å; F379-F459 HydrophobicContact CB-CE2 4.22Å; F379-F459 HydrophobicContact CB-CZ 3.88Å; F379-F459 AromaticContact CD1-CZ 3.99Å; F379-F459 HydrophobicContact CD1-CZ 3.99Å; F379-F459 HydrophobicContact CD2-CZ 4.16Å; F379-F459 AromaticContact CG-CZ 3.72Å; F379-F459 HydrophobicContact CG-CZ 3.72Å; F379-F483 HydrophobicContact CD2-CE1 4.03Å; F379-F483 HydrophobicContact CD2-CZ 4.29Å; F379-F483 HydrophobicContact CE1-CZ 4.49Å; F379-F483 HydrophobicContact CE2-CD1 4.2Å; F379-F483 AromaticContact CE2-CE1 3.21Å; F379-F483 HydrophobicContact CE2-CE1 3.21Å; F379-F483 AromaticContact CE2-CZ 3.67Å; F379-F483 HydrophobicContact CE2-CZ 3.67Å; F379-F483 AromaticContact CZ-CE1 3.6Å; F379-F483 HydrophobicContact CZ-CE1 3.6Å; F379-F483 AromaticContact CZ-CZ 3.75Å; F379-F483 HydrophobicContact CZ-CZ 3.75Å
380	S	68.2	Low	65	Low	7 Å²	7	53.5 Å²	53.5	5%	0.049	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.7	156.1	173.8	61.7	0	0	0	0	112.4	F349 V350 T450	F349-S380 CarbonylContact C-O 3.58Å; F349-S380 WeakPolarHBondContact CA-O 3.15Å; F349-S380 VanDerWaalsContact CB-O 3.28Å; F349-S380 WeakPolarHBondContact CB-O 3.05Å; V350-S380 VanDerWaalsContact CB-OG 3.31Å; V350-S380 WeakPolarHBondContact CB-OG 2.69Å; V350-S380 PolarHBondContact N-O 3.4Å; V350-S380 PolarHBondContact N-OG 2.95Å; V350-S380 PolarHBondContact O-N 2.89Å; V350-S380 PolarHBondContact O-OG 2.66Å; S380-T450 WeakPolarHBondContact CA-O 3.34Å; S380-T450 WeakPolarHBondContact CB-O 3.48Å
381	V	63.9	Low	63	Low	10 Å²	10	52.8 Å²	52.8	6%	0.061	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.1	117.1	169.8	-170.8	0	0	0	0	107.8	P348 F379 S383 A386 F434 I437	P348-V381 CarbonylContact O-C 3.58Å; P348-V381 VanDerWaalsContact O-CA 3.3Å; P348-V381 WeakPolarHBondContact O-CA 3.42Å; P348-V381 WeakPolarHBondContact O-CG1 3.07Å; F379-V381 HydrophobicContact CD1-CG2 4.41Å; F379-V381 HydrophobicContact CE1-CG2 3.61Å; F379-V381 HydrophobicContact CZ-CG2 4.39Å; V381-S383 VanDerWaalsContact C-N 3.28Å; V381-S383 WeakPolarHBondContact CG1-O 3.12Å; V381-S383 PolarHBondContact O-N 3.24Å; V381-A386 HydrophobicContact CG1-CB 3.21Å; V381-F434 HydrophobicContact CG2-CD1 4.02Å; V381-F434 HydrophobicContact CG2-CE1 4.44Å; V381-I437 HydrophobicContact CG2-CG2 4.41Å
382	K	62.2	Low	60.8	Low	110 Å²	110	52.7 Å²	52.7	48%	0.478	29%	0.289	S	S	.	.	S	Bend	trans	-68.8	-22.7	-176.6	-66.3	-164.9	-170.9	173	0	113.9	Y347 P348 V350	Y347-K382 WeakPolarHBondContact O-CD 3.43Å; P348-K382 PolarHBondContact O-N 3Å; V350-K382 HydrophobicContact CG2-CD 4.13Å; V350-K382 HydrophobicContact CG2-CG 3.94Å
383	S	56.7	Low	58.9	Low	52 Å²	52	57.2 Å²	57.2	36%	0.364	31%	0.311	S	S	.	.			trans	-143.8	142.4	-176.9	176.7	0	0	0	0	111.3	V381 D385 A386	V381-S383 VanDerWaalsContact C-N 3.28Å; V381-S383 WeakPolarHBondContact CG1-O 3.12Å; V381-S383 PolarHBondContact O-N 3.24Å; S383-D385 PolarHBondContact O-N 3.14Å; S383-D385 PolarHBondContact OG-N 3.02Å; S383-D385 VanDerWaalsContact OG-N 3.14Å; S383-A386 WeakPolarHBondContact O-CB 3.12Å; S383-A386 PolarHBondContact O-N 3.36Å; S383-A386 VanDerWaalsContact O-N 3.11Å
384	K	51.2	Low	57	Low	128 Å²	128	58.7 Å²	58.7	56%	0.557	33%	0.326	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.7	-27.5	172.1	-56.1	-159.5	-179.8	-175.9	0	112.3	A386 N438 Q442	K384-A386 PolarHBondContact O-N 3.42Å; K384-N438 WeakPolarHBondContact CA-ND2 3.25Å; K384-N438 VanDerWaalsContact CB-ND2 3.3Å; K384-N438 WeakPolarHBondContact CB-ND2 3.23Å; K384-N438 VanDerWaalsContact CG-ND2 3.27Å; K384-N438 WeakPolarHBondContact CG-ND2 3.4Å; K384-Q442 VanDerWaalsContact CE-CD 3.45Å
385	D	52.5	Low	55.1	Low	132 Å²	132	56.3 Å²	56.3	71%	0.706	32%	0.316	S	S	*	.	T	Hydrogen-bonded Turn	trans	-90	21.8	178.4	-56.7	-46.4	0	0	0	112.3	S383 K387	S383-D385 PolarHBondContact O-N 3.14Å; S383-D385 PolarHBondContact OG-N 3.02Å; S383-D385 VanDerWaalsContact OG-N 3.14Å; D385-K387 PolarHBondContact O-N 3.45Å
386	A	51.4	Low	53.4	Low	22 Å²	22	63.7 Å²	63.7	18%	0.182	35%	0.348	C	S	.	.			trans	-60.6	85	175.9	0	0	0	0	0	111.2	P348 V381 S383 K384	P348-A386 HydrophobicContact CB-CB 3.46Å; P348-A386 VanDerWaalsContact CB-CB 3.46Å; P348-A386 HydrophobicContact CG-CB 4.44Å; V381-A386 HydrophobicContact CG1-CB 3.21Å; S383-A386 WeakPolarHBondContact O-CB 3.12Å; S383-A386 PolarHBondContact O-N 3.36Å; S383-A386 VanDerWaalsContact O-N 3.11Å; K384-A386 PolarHBondContact O-N 3.42Å
387	K	49.8	Very low	51.4	Low	149 Å²	149	65.4 Å²	65.4	65%	0.648	37%	0.365	S	S	*	.	P	Polyproline II helix	trans	-79.2	153.3	170.5	-66.6	-176.3	-179	-175.5	0	109.8	D385	D385-K387 PolarHBondContact O-N 3.45Å
388	L	45.5	Very low	49.7	Very low	18 Å²	18	69.9 Å²	69.9	9%	0.094	39%	0.388	C	S	.	.	P	Polyproline II helix	trans	-52	137.5	159.3	-83.7	168.1	0	0	0	108.8	G390 I392 F430 Y482	L388-G390 PolarHBondContact O-N 3Å; L388-G390 VanDerWaalsContact O-N 3.13Å; L388-I392 HydrophobicContact CD1-CB 4.44Å; L388-I392 HydrophobicContact CD1-CD1 3.7Å; L388-I392 HydrophobicContact CD1-CG2 4.48Å; L388-I392 HydrophobicContact CD2-CD1 3.81Å; L388-I392 HydrophobicContact CG-CD1 4.4Å; L388-F430 HydrophobicContact CD1-CB 4.15Å; L388-F430 HydrophobicContact CD1-CD1 3.41Å; L388-F430 VanDerWaalsContact CD1-CD1 3.41Å; L388-F430 HydrophobicContact CD1-CD2 4.23Å; L388-F430 HydrophobicContact CD1-CE1 3.73Å; L388-F430 HydrophobicContact CD1-CE2 4.46Å; L388-F430 HydrophobicContact CD1-CG 3.71Å; L388-F430 HydrophobicContact CD1-CZ 4.25Å; L388-F430 HydrophobicContact CD2-CD1 3.86Å; L388-F430 HydrophobicContact CD2-CD2 4.42Å; L388-F430 HydrophobicContact CD2-CE1 3.21Å; L388-F430 HydrophobicContact CD2-CE2 3.82Å; L388-F430 HydrophobicContact CD2-CG 4.44Å; L388-F430 HydrophobicContact CD2-CZ 3.19Å; L388-F430 HydrophobicContact CG-CD1 3.41Å; L388-F430 VanDerWaalsContact CG-CD1 3.41Å; L388-F430 HydrophobicContact CG-CE1 3.19Å; L388-F430 HydrophobicContact CG-CE2 4.41Å; L388-F430 HydrophobicContact CG-CG 4.16Å; L388-F430 HydrophobicContact CG-CZ 3.76Å; L388-Y482 HydrophobicContact CD2-CD1 4.3Å; L388-Y482 HydrophobicContact CD2-CD2 3.54Å; L388-Y482 HydrophobicContact CD2-CE1 4.35Å; L388-Y482 HydrophobicContact CD2-CE2 3.61Å; L388-Y482 HydrophobicContact CD2-CG 3.89Å
389	P	44.7	Very low	47.7	Very low	54 Å²	54	72 Å²	72	35%	0.351	40%	0.402	S	S	.	.	P	Polyproline II helix	trans	-50.8	126.6	156.5	-18.3	29.3	0	0	0	106.6	D391 Y482	P389-D391 PolarHBondContact O-N 2.84Å; P389-Y482 WeakPolarHBondContact CD-OH 3.34Å; P389-Y482 HydrophobicContact CG-CE2 4.18Å; P389-Y482 WeakPolarHBondContact CG-OH 3.45Å
390	G	40.8	Very low	45.9	Very low	88 Å²	88	73.6 Å²	73.6	91%	0.907	41%	0.409	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.7	8.8	-168.9	0	0	0	0	0	116.4	L388	L388-G390 PolarHBondContact O-N 3Å; L388-G390 VanDerWaalsContact O-N 3.13Å
391	D	42.7	Very low	44.2	Very low	102 Å²	102	75.5 Å²	75.5	55%	0.545	42%	0.42	S	S	.	.	T	Hydrogen-bonded Turn	trans	-113.5	28.3	-173.2	-149.2	20.2	0	0	0	112.7	P389 N393 S394	P389-D391 PolarHBondContact O-N 2.84Å; D391-N393 PolarHBondContact O-N 3.04Å; D391-S394 PolarHBondContact O-N 2.76Å; D391-S394 PolarHBondContact O-OG 3.11Å; D391-S394 WeakPolarHBondContact OD1-CB 3.13Å; D391-S394 PolarHBondContact OD1-OG 3.27Å; D391-S394 VanDerWaalsContact OD2-CB 3.28Å; D391-S394 WeakPolarHBondContact OD2-CB 3.47Å; D391-S394 PolarHBondContact OD2-OG 3.36Å
392	I	40.8	Very low	42.5	Very low	31 Å²	31	77.9 Å²	77.9	16%	0.159	44%	0.436	C	S	.	.	G	3₁₀ helix	trans	-61.9	-22.8	173.8	-146.6	175.4	0	0	0	111.9	L388 S394 V395 T427 Y482	L388-I392 HydrophobicContact CD1-CB 4.44Å; L388-I392 HydrophobicContact CD1-CD1 3.7Å; L388-I392 HydrophobicContact CD1-CG2 4.48Å; L388-I392 HydrophobicContact CD2-CD1 3.81Å; L388-I392 HydrophobicContact CG-CD1 4.4Å; I392-S394 VanDerWaalsContact C-N 3.29Å; I392-V395 HydrophobicContact CB-CG2 4.4Å; I392-V395 HydrophobicContact CG1-CG2 3.82Å; I392-V395 WeakPolarHBondContact O-CB 3.46Å; I392-V395 VanDerWaalsContact O-CG2 3.24Å; I392-V395 WeakPolarHBondContact O-CG2 3.32Å; I392-V395 PolarHBondContact O-N 3.44Å; I392-T427 HydrophobicContact CG2-CG2 4.2Å; I392-Y482 HydrophobicContact CD1-CD2 4.27Å; I392-Y482 HydrophobicContact CG1-CD2 4.37Å
393	N	41.5	Very low	41.1	Very low	150 Å²	150	74.2 Å²	74.2	80%	0.802	42%	0.42	S	S	*	.	G	3₁₀ helix	trans	-75.1	-17.1	174.1	-70.1	-30.7	0	0	0	112.9	D391	D391-N393 PolarHBondContact O-N 3.04Å
394	S	39	Very low	39.7	Very low	61 Å²	61	72.8 Å²	72.8	43%	0.427	41%	0.414	S	S	.	.	G	3₁₀ helix	trans	-88.1	-9.3	171.9	81	0	0	0	0	113.7	D391 I392 K396	D391-S394 PolarHBondContact O-N 2.76Å; D391-S394 PolarHBondContact O-OG 3.11Å; D391-S394 WeakPolarHBondContact OD1-CB 3.13Å; D391-S394 PolarHBondContact OD1-OG 3.27Å; D391-S394 VanDerWaalsContact OD2-CB 3.28Å; D391-S394 WeakPolarHBondContact OD2-CB 3.47Å; D391-S394 PolarHBondContact OD2-OG 3.36Å; I392-S394 VanDerWaalsContact C-N 3.29Å; S394-K396 PolarHBondContact O-N 3.24Å
395	V	38.4	Very low	38.6	Very low	17 Å²	17	72.4 Å²	72.4	10%	0.103	41%	0.409	C	S	.	.	S	Bend	trans	-51.4	113.4	170.1	169.2	0	0	0	0	106.9	I392 A397 Q481 E485	I392-V395 HydrophobicContact CB-CG2 4.4Å; I392-V395 HydrophobicContact CG1-CG2 3.82Å; I392-V395 WeakPolarHBondContact O-CB 3.46Å; I392-V395 VanDerWaalsContact O-CG2 3.24Å; I392-V395 WeakPolarHBondContact O-CG2 3.32Å; I392-V395 PolarHBondContact O-N 3.44Å; V395-A397 PolarHBondContact O-N 2.83Å; V395-Q481 HydrophobicContact CG1-CG 3.65Å; V395-Q481 VanDerWaalsContact CG1-NE2 3.28Å; V395-E485 VanDerWaalsContact CA-OE2 3.31Å; V395-E485 WeakPolarHBondContact CA-OE2 3.42Å; V395-E485 WeakPolarHBondContact CB-OE2 3.22Å; V395-E485 HydrophobicContact CG1-CG 3.87Å; V395-E485 VanDerWaalsContact CG1-OE1 3.22Å; V395-E485 WeakPolarHBondContact CG1-OE1 3.29Å; V395-E485 WeakPolarHBondContact CG1-OE2 3.23Å
396	K	37.1	Very low	37.4	Very low	155 Å²	155	72.2 Å²	72.2	67%	0.674	40%	0.4	S	S	*	.			trans	-67.5	106	-165.6	-74.3	-178.8	178.6	176.8	0	107.3	S394 N398 L399 E485	S394-K396 PolarHBondContact O-N 3.24Å; K396-N398 PolarHBondContact O-N 3.43Å; K396-L399 PolarHBondContact O-N 3.48Å; K396-E485 PolarHBondContact N-OE1 3.03Å
397	A	34.7	Very low	36.3	Very low	47 Å²	47	74.1 Å²	74.1	39%	0.388	41%	0.412	S	S	.	.	T	Hydrogen-bonded Turn	trans	-55.4	9.1	176.2	0	0	0	0	0	115.5	V395	V395-A397 PolarHBondContact O-N 2.83Å
398	N	35.4	Very low	35.3	Very low	94 Å²	94	78.2 Å²	78.2	50%	0.503	42%	0.423	S	S	.	.	T	Hydrogen-bonded Turn	trans	-94	-10.7	177.5	-60.8	-5.9	0	0	0	113	K396 L536	K396-N398 PolarHBondContact O-N 3.43Å; N398-L536 HydrophobicContact CB-CD1 4.28Å; N398-L536 HydrophobicContact CB-CD2 4.46Å
399	L	34	Very low	34.5	Very low	86 Å²	86	81.7 Å²	81.7	45%	0.45	44%	0.442	S	S	.	.	S	Bend	trans	-84.8	-39.4	177.5	-85.4	167.9	0	0	0	112.7	K396 E485	K396-L399 PolarHBondContact O-N 3.48Å; L399-E485 HydrophobicContact CD1-CG 3.79Å
400	F	33.7	Very low	34.1	Very low	32 Å²	32	90.4 Å²	90.4	14%	0.14	47%	0.468	C	S	.	.	S	Bend	trans	-95.6	126.9	165.8	-66.8	-85.9	0	0	0	106.8	M310 Q481 F484	M310-F400 HydrophobicContact CG-CD1 3.98Å; M310-F400 HydrophobicContact CG-CE1 4.26Å; F400-Q481 HydrophobicContact CD2-CB 4.01Å; F400-Q481 HydrophobicContact CD2-CG 3.59Å; F400-Q481 HydrophobicContact CE2-CB 3.76Å; F400-Q481 HydrophobicContact CE2-CG 3.62Å; F400-Q481 HydrophobicContact CZ-CB 4.39Å; F400-F484 HydrophobicContact CE2-CB 4.05Å; F400-F484 HydrophobicContact CZ-CB 3.79Å; F400-F484 HydrophobicContact CZ-CD1 4.36Å; F400-F484 HydrophobicContact CZ-CD2 4.1Å; F400-F484 AromaticContact CZ-CG 3.79Å; F400-F484 HydrophobicContact CZ-CG 3.79Å
401	V	31.9	Very low	33.8	Very low	48 Å²	48	91.6 Å²	91.6	29%	0.291	45%	0.453	S	S	.	.			trans	-56.9	132.9	-170.7	179.4	0	0	0	0	108.4	Q308 K403	Q308-V401 HydrophobicContact CB-CB 3.36Å; Q308-V401 HydrophobicContact CB-CG1 3.62Å; Q308-V401 HydrophobicContact CB-CG2 3.67Å; Q308-V401 HydrophobicContact CG-CB 4.15Å; Q308-V401 HydrophobicContact CG-CG1 4.04Å; Q308-V401 HydrophobicContact CG-CG2 4.15Å; V401-K403 PolarHBondContact O-N 3.13Å
402	P	29.6	Very low	33.4	Very low	59 Å²	59	93.3 Å²	93.3	38%	0.383	47%	0.47	S	S	.	.			trans	-44.4	140.6	173.4	-27	31.5	0	0	0	111.9	G404 V419	P402-G404 PolarHBondContact O-N 3.23Å; P402-V419 HydrophobicContact CB-CG1 4.35Å; P402-V419 HydrophobicContact CB-CG2 4.45Å
403	K	31	Very low	33.2	Very low	34 Å²	34	97 Å²	97	15%	0.148	50%	0.499	C	S	.	.			trans	-56.7	85	162.5	-90.8	-175.5	173.3	-176.5	0	108.5	V401 Y405	V401-K403 PolarHBondContact O-N 3.13Å; K403-Y405 HydrophobicContact CB-CE2 4.34Å; K403-Y405 HydrophobicContact CD-CE2 4.22Å; K403-Y405 PolarHBondContact O-N 3.32Å
404	G	28.1	Very low	32.7	Very low	22 Å²	22	91.4 Å²	91.4	23%	0.227	48%	0.476	C	S	.	.	B	Isolated β-bridge	trans	-82.6	101.5	168.9	0	0	0	0	0	108.1	P402 Y406	P402-G404 PolarHBondContact O-N 3.23Å; G404-Y406 PolarHBondContact O-N 2.9Å
405	Y	28.1	Very low	32.1	Very low	119 Å²	119	95.3 Å²	95.3	47%	0.467	49%	0.486	S	S	.	.			trans	-76.5	120.2	162.5	-70.3	-87.6	0	0	0	107.5	K403 S407	K403-Y405 HydrophobicContact CB-CE2 4.34Å; K403-Y405 HydrophobicContact CD-CE2 4.22Å; K403-Y405 PolarHBondContact O-N 3.32Å; Y405-S407 VanDerWaalsContact C-N 3.27Å; Y405-S407 PolarHBondContact O-N 3.35Å
406	Y	27.5	Very low	31.7	Very low	128 Å²	128	98.2 Å²	98.2	50%	0.502	51%	0.507	S	S	.	.			trans	-72.9	91.2	163.9	-70.6	-89.4	0	0	0	107.4	F306 G404 R408 F415	F306-Y406 HydrophobicContact CB-CE2 3.93Å; G404-Y406 PolarHBondContact O-N 2.9Å; Y406-R408 PolarHBondContact O-N 3.38Å; Y406-R408 VanDerWaalsContact O-N 3.16Å; Y406-F415 HydrophobicContact CD1-CD1 4.24Å; Y406-F415 HydrophobicContact CD1-CE1 4.3Å
407	S	28.3	Very low	31.1	Very low	63 Å²	63	95 Å²	95	44%	0.441	51%	0.509	S	S	.	.			trans	-59.3	118.8	167.4	167.8	0	0	0	0	108.3	Y405 N409	Y405-S407 VanDerWaalsContact C-N 3.27Å; Y405-S407 PolarHBondContact O-N 3.35Å; S407-N409 PolarHBondContact O-N 3.14Å
408	R	28.8	Very low	30.7	Very low	235 Å²	235	95.2 Å²	95.2	89%	0.887	52%	0.516	S	S	*	.			trans	-70.7	67.9	171.1	-164	-173.8	-162.5	-174	6.5	108.7	Y406 R410	Y406-R408 PolarHBondContact O-N 3.38Å; Y406-R408 VanDerWaalsContact O-N 3.16Å; R408-R410 PolarHBondContact O-N 3.2Å; R408-R410 VanDerWaalsContact O-N 3.16Å
409	N	29.1	Very low	30.3	Very low	91 Å²	91	94.7 Å²	94.7	49%	0.487	52%	0.516	S	S	.	.			trans	-67.5	117.8	167.7	-106.5	-17.6	0	0	0	106.8	S407 N411	S407-N409 PolarHBondContact O-N 3.14Å; N409-N411 PolarHBondContact O-N 3.43Å
410	R	35.2	Very low	30	Very low	236 Å²	236	98.1 Å²	98.1	89%	0.891	53%	0.529	S	S	*	.	S	Bend	trans	-60.8	4.6	177	-78.4	-173	-176.5	-176.7	2.1	113.7	R408 P412	R408-R410 PolarHBondContact O-N 3.2Å; R408-R410 VanDerWaalsContact O-N 3.16Å; R410-P412 WeakPolarHBondContact O-CD 3.25Å
411	N	35.5	Very low	29.8	Very low	114 Å²	114	101.5 Å²	101.5	61%	0.61	55%	0.548	S	S	*	.			trans	-90	116.3	173.5	-82.7	-15.9	0	0	0	110.2	N409 S413	N409-N411 PolarHBondContact O-N 3.43Å; N411-S413 PolarHBondContact O-N 2.71Å
412	P	34.7	Very low	29.9	Very low	138 Å²	138	103.4 Å²	103.4	90%	0.896	56%	0.556	S	S	*	*	T	Hydrogen-bonded Turn	trans	-63	-1.9	-179.8	-19.4	31.1	0	0	0	115.2	R410	R410-P412 WeakPolarHBondContact O-CD 3.25Å
413	S	36.4	Very low	30.1	Very low	109 Å²	109	106.5 Å²	106.5	76%	0.762	58%	0.575	S	S	*	*	T	Hydrogen-bonded Turn	trans	-116.2	0.9	-168.4	45	0	0	0	0	115.1	N411	N411-S413 PolarHBondContact O-N 2.71Å
414	G	30.8	Very low	30.3	Very low	31 Å²	31	109.4 Å²	109.4	32%	0.32	60%	0.595	S	S	.	*			trans	-157.5	95.4	-176.5	0	0	0	0	0	114.8	S416	G414-S416 PolarHBondContact O-N 3.06Å
415	F	26.8	Very low	30.9	Very low	144 Å²	144	113.7 Å²	113.7	63%	0.632	61%	0.612	S	S	*	*			trans	-73.3	109.5	156.3	-72.6	-85.7	0	0	0	108.2	Y406	Y406-F415 HydrophobicContact CD1-CD1 4.24Å; Y406-F415 HydrophobicContact CD1-CE1 4.3Å
416	S	28.9	Very low	31.6	Very low	78 Å²	78	110.8 Å²	110.8	55%	0.545	60%	0.601	S	S	.	*			trans	-97	109.6	161.6	67.1	0	0	0	0	108	G414 G418	G414-S416 PolarHBondContact O-N 3.06Å; S416-G418 PolarHBondContact O-N 3.48Å; S416-G418 VanDerWaalsContact O-N 3.08Å
417	A	25.7	Very low	32.3	Very low	88 Å²	88	107.4 Å²	107.4	73%	0.727	59%	0.593	S	S	*	*			trans	-73.4	95.8	171.7	0	0	0	0	0	108.5
418	G	24.7	Very low	33	Very low	51 Å²	51	111.6 Å²	111.6	53%	0.526	60%	0.601	S	S	.	*			trans	-85.6	113.1	168.8	0	0	0	0	0	109.1	S416 Q420	S416-G418 PolarHBondContact O-N 3.48Å; S416-G418 VanDerWaalsContact O-N 3.08Å; G418-Q420 PolarHBondContact O-N 3.13Å
419	V	27.3	Very low	34.3	Very low	83 Å²	83	104.4 Å²	104.4	50%	0.503	58%	0.577	S	S	.	*	B	Isolated β-bridge	trans	-82.6	110.9	173.9	179.9	0	0	0	0	107.8	P402 I421	P402-V419 HydrophobicContact CB-CG1 4.35Å; P402-V419 HydrophobicContact CB-CG2 4.45Å; V419-I421 HydrophobicContact CG1-CD1 4.46Å; V419-I421 HydrophobicContact CG1-CG1 3.9Å
420	Q	28.1	Very low	35.5	Very low	157 Å²	157	100.4 Å²	100.4	73%	0.734	56%	0.555	S	S	*	*			trans	-110.8	102.3	168.8	-138.1	178.6	1.9	0	0	107.7	G418 D422	G418-Q420 PolarHBondContact O-N 3.13Å; Q420-D422 PolarHBondContact O-N 3.09Å
421	I	30.2	Very low	36.7	Very low	104 Å²	104	92.6 Å²	92.6	53%	0.533	53%	0.529	S	S	.	.			trans	-79.3	117.1	172.6	-56.9	176.7	0	0	0	106.2	V419 T423	V419-I421 HydrophobicContact CG1-CD1 4.46Å; V419-I421 HydrophobicContact CG1-CG1 3.9Å; I421-T423 VanDerWaalsContact C-N 3.34Å; I421-T423 HydrophobicContact CG2-CG2 4.01Å; I421-T423 PolarHBondContact O-N 3.24Å
422	D	33.2	Very low	38	Very low	87 Å²	87	90.7 Å²	90.7	47%	0.465	52%	0.516	S	S	.	.			trans	-76.5	90.5	173.7	-158.3	24	0	0	0	107.7	Q420 V424	Q420-D422 PolarHBondContact O-N 3.09Å; D422-V424 PolarHBondContact O-N 2.98Å; D422-V424 VanDerWaalsContact O-N 3.09Å; D422-V424 WeakPolarHBondContact OD1-CG2 2.98Å
423	T	34.6	Very low	39.4	Very low	125 Å²	125	84.1 Å²	84.1	77%	0.767	47%	0.474	S	S	*	.			trans	-76.7	23.5	180	49.6	0	0	0	0	112.7	I421 N425	I421-T423 VanDerWaalsContact C-N 3.34Å; I421-T423 HydrophobicContact CG2-CG2 4.01Å; I421-T423 PolarHBondContact O-N 3.24Å; T423-N425 PolarHBondContact O-N 2.68Å
424	V	35.1	Very low	40.8	Very low	95 Å²	95	79.7 Å²	79.7	58%	0.576	44%	0.441	S	S	*	.			trans	-67.6	99.1	-176	-176.8	0	0	0	0	109.3	D422 R426	D422-V424 PolarHBondContact O-N 2.98Å; D422-V424 VanDerWaalsContact O-N 3.09Å; D422-V424 WeakPolarHBondContact OD1-CG2 2.98Å; V424-R426 WeakPolarHBondContact O-CG 3.09Å; V424-R426 PolarHBondContact O-N 3.43Å
425	N	39.4	Very low	42.4	Very low	111 Å²	111	83.8 Å²	83.8	59%	0.594	45%	0.452	S	S	*	.	S	Bend	trans	39.3	34.1	154.5	-99.7	3.2	0	0	0	118	T423 T427 Y428	T423-N425 PolarHBondContact O-N 2.68Å; N425-T427 VanDerWaalsContact C-N 3.26Å; N425-T427 PolarHBondContact O-N 2.73Å; N425-Y428 HydrophobicContact CB-CD2 4.22Å
426	R	43.2	Very low	44.3	Very low	59 Å²	59	78.9 Å²	78.9	22%	0.223	43%	0.429	C	S	.	.	T	Hydrogen-bonded Turn	trans	-73.8	-13.7	-176	-59.8	-168.3	178.8	-164.7	-9.3	114.6	V424 Y428	V424-R426 WeakPolarHBondContact O-CG 3.09Å; V424-R426 PolarHBondContact O-N 3.43Å; R426-Y428 PolarHBondContact O-N 2.81Å
427	T	43.1	Very low	46.1	Very low	56 Å²	56	75.2 Å²	75.2	34%	0.344	40%	0.403	S	S	.	.	H	α-helix	trans	-59.2	-35.4	177.9	33.2	0	0	0	0	112.2	I392 N425 F430 E431	I392-T427 HydrophobicContact CG2-CG2 4.2Å; N425-T427 VanDerWaalsContact C-N 3.26Å; N425-T427 PolarHBondContact O-N 2.73Å; T427-F430 PolarHBondContact O-N 3.14Å; T427-E431 PolarHBondContact O-N 3.18Å
428	Y	42.1	Very low	47.9	Very low	152 Å²	152	72 Å²	72	60%	0.596	37%	0.374	S	S	*	.	H	α-helix	trans	-65.4	-42	-176.6	-70.4	-80.3	0	0	0	113.5	N425 R426 F430 E432	N425-Y428 HydrophobicContact CB-CD2 4.22Å; R426-Y428 PolarHBondContact O-N 2.81Å; Y428-F430 PolarHBondContact O-N 2.04Å; Y428-E432 WeakPolarHBondContact O-CB 3.29Å; Y428-E432 PolarHBondContact O-N 3.08Å; Y428-E432 VanDerWaalsContact O-N 3.15Å
429	Q	55.2	Low	49.6	Very low	84 Å²	84	72.5 Å²	72.5	39%	0.393	37%	0.365	S	S	.	.	H	α-helix	trans	-66.4	-27.2	-178.7	-69.8	-173.7	-30.7	0	0	113.1	G433	Q429-G433 PolarHBondContact O-N 3.28Å; Q429-G433 VanDerWaalsContact O-N 3.13Å
430	F	55.2	Low	51.3	Low	6 Å²	6	69.6 Å²	69.6	3%	0.026	35%	0.346	C	S	.	.	H	α-helix	trans	-71.4	-56.6	178.1	-175.4	-75.9	0	0	0	110.4	L388 T427 Y428 E432 G433 F434 F463 P479 Y482	L388-F430 HydrophobicContact CD1-CB 4.15Å; L388-F430 HydrophobicContact CD1-CD1 3.41Å; L388-F430 VanDerWaalsContact CD1-CD1 3.41Å; L388-F430 HydrophobicContact CD1-CD2 4.23Å; L388-F430 HydrophobicContact CD1-CE1 3.73Å; L388-F430 HydrophobicContact CD1-CE2 4.46Å; L388-F430 HydrophobicContact CD1-CG 3.71Å; L388-F430 HydrophobicContact CD1-CZ 4.25Å; L388-F430 HydrophobicContact CD2-CD1 3.86Å; L388-F430 HydrophobicContact CD2-CD2 4.42Å; L388-F430 HydrophobicContact CD2-CE1 3.21Å; L388-F430 HydrophobicContact CD2-CE2 3.82Å; L388-F430 HydrophobicContact CD2-CG 4.44Å; L388-F430 HydrophobicContact CD2-CZ 3.19Å; L388-F430 HydrophobicContact CG-CD1 3.41Å; L388-F430 VanDerWaalsContact CG-CD1 3.41Å; L388-F430 HydrophobicContact CG-CE1 3.19Å; L388-F430 HydrophobicContact CG-CE2 4.41Å; L388-F430 HydrophobicContact CG-CG 4.16Å; L388-F430 HydrophobicContact CG-CZ 3.76Å; T427-F430 PolarHBondContact O-N 3.14Å; Y428-F430 PolarHBondContact O-N 2.04Å; F430-E432 VanDerWaalsContact C-N 3.29Å; F430-E432 PolarHBondContact O-N 3.16Å; F430-G433 PolarHBondContact O-N 3.08Å; F430-G433 VanDerWaalsContact O-N 3.09Å; F430-F434 AromaticContact CD1-CD2 3.4Å; F430-F434 HydrophobicContact CD1-CD2 3.4Å; F430-F434 VanDerWaalsContact CD1-CD2 3.4Å; F430-F434 AromaticContact CD1-CE2 3.49Å; F430-F434 HydrophobicContact CD1-CE2 3.49Å; F430-F434 VanDerWaalsContact CD1-CE2 3.49Å; F430-F434 HydrophobicContact CD2-CE2 4.06Å; F430-F434 AromaticContact CE1-CD2 3.16Å; F430-F434 HydrophobicContact CE1-CD2 3.16Å; F430-F434 AromaticContact CE1-CE2 2.91Å; F430-F434 HydrophobicContact CE1-CE2 2.91Å; F430-F434 HydrophobicContact CE1-CG 4.31Å; F430-F434 AromaticContact CE1-CZ 3.86Å; F430-F434 HydrophobicContact CE1-CZ 3.86Å; F430-F434 HydrophobicContact CE2-CD2 4.48Å; F430-F434 AromaticContact CE2-CE2 3.6Å; F430-F434 HydrophobicContact CE2-CE2 3.6Å; F430-F434 HydrophobicContact CE2-CZ 4.36Å; F430-F434 HydrophobicContact CG-CD2 4.16Å; F430-F434 HydrophobicContact CG-CE2 4.03Å; F430-F434 AromaticContact CZ-CD2 3.78Å; F430-F434 HydrophobicContact CZ-CD2 3.78Å; F430-F434 AromaticContact CZ-CE2 2.98Å; F430-F434 HydrophobicContact CZ-CE2 2.98Å; F430-F434 AromaticContact CZ-CZ 3.64Å; F430-F434 HydrophobicContact CZ-CZ 3.64Å; F430-F434 VanDerWaalsContact O-CD2 3.32Å; F430-F434 WeakPolarHBondContact O-CD2 3.36Å; F430-F434 PolarHBondContact O-N 3.25Å; F430-F463 HydrophobicContact CG-CE1 4.44Å; F430-F463 VanDerWaalsContact O-CE1 3.31Å; F430-F463 WeakPolarHBondContact O-CE1 3.34Å; F430-P479 VanDerWaalsContact CD2-CA 3.44Å; F430-P479 HydrophobicContact CD2-CB 3.95Å; F430-P479 HydrophobicContact CD2-CG 3.68Å; F430-P479 VanDerWaalsContact CE2-CA 3.46Å; F430-P479 HydrophobicContact CE2-CB 4.18Å; F430-P479 HydrophobicContact CE2-CG 4.4Å; F430-P479 HydrophobicContact CG-CG 4.41Å; F430-Y482 HydrophobicContact CE2-CD1 4.09Å; F430-Y482 HydrophobicContact CE2-CG 4.02Å; F430-Y482 AromaticContact CZ-CD1 3.73Å; F430-Y482 HydrophobicContact CZ-CD1 3.73Å; F430-Y482 HydrophobicContact CZ-CE1 4.26Å; F430-Y482 AromaticContact CZ-CG 3.97Å; F430-Y482 HydrophobicContact CZ-CG 3.97Å
431	E	59.6	Low	52.7	Low	72 Å²	72	62.6 Å²	62.6	34%	0.336	31%	0.314	S	S	.	.	H	α-helix	trans	-58.3	-44.4	-178.3	-66.2	-178.1	160.3	0	0	110.9	T427 G433 F434 E435	T427-E431 PolarHBondContact O-N 3.18Å; E431-G433 VanDerWaalsContact C-N 3.34Å; E431-G433 PolarHBondContact O-N 2.76Å; E431-F434 PolarHBondContact O-N 2.94Å; E431-F434 VanDerWaalsContact O-N 3.14Å; E431-E435 WeakPolarHBondContact O-CG 3.33Å; E431-E435 PolarHBondContact O-N 3.43Å
432	E	62.8	Low	54.1	Low	74 Å²	74	60.6 Å²	60.6	35%	0.346	30%	0.302	S	S	.	.	H	α-helix	trans	-59.5	-41.5	175.8	-167.7	-177.2	175.8	0	0	112.5	Y428 F430 F434 E435 R436	Y428-E432 WeakPolarHBondContact O-CB 3.29Å; Y428-E432 PolarHBondContact O-N 3.08Å; Y428-E432 VanDerWaalsContact O-N 3.15Å; F430-E432 VanDerWaalsContact C-N 3.29Å; F430-E432 PolarHBondContact O-N 3.16Å; E432-F434 PolarHBondContact O-N 3.07Å; E432-E435 PolarHBondContact O-N 3.1Å; E432-R436 VanDerWaalsContact CD-NH2 3.33Å; E432-R436 WeakPolarHBondContact O-CD 3.49Å; E432-R436 WeakPolarHBondContact O-CG 3.38Å; E432-R436 PolarHBondContact O-N 3.3Å; E432-R436 IonicContact OE1-CZ 3.45Å; E432-R436 IonicContact OE1-NE 3.75Å; E432-R436 IonicContact OE1-NH2 2.85Å; E432-R436 PolarHBondContact OE1-NH2 3.34Å; E432-R436 IonicContact OE2-NH2 3.97Å
433	G	65	Low	55.2	Low	1 Å²	1	58.6 Å²	58.6	1%	0.01	29%	0.29	C	S	.	.	H	α-helix	trans	-63.3	-38.6	175.4	0	0	0	0	0	113.4	Q429 F430 E431 R436 I437	Q429-G433 PolarHBondContact O-N 3.28Å; Q429-G433 VanDerWaalsContact O-N 3.13Å; F430-G433 PolarHBondContact O-N 3.08Å; F430-G433 VanDerWaalsContact O-N 3.09Å; E431-G433 VanDerWaalsContact C-N 3.34Å; E431-G433 PolarHBondContact O-N 2.76Å; G433-R436 PolarHBondContact O-N 3.48Å; G433-I437 WeakPolarHBondContact O-CG1 3.4Å; G433-I437 PolarHBondContact O-N 3.02Å
434	F	65.1	Low	55.9	Low	16 Å²	16	52.7 Å²	52.7	7%	0.07	25%	0.254	C	S	.	.	H	α-helix	trans	-70.4	-38.3	174.3	-83.2	-79.5	0	0	0	113	F379 V381 F430 E431 E432 R436 I437 N438 F463 F483	F379-F434 HydrophobicContact CE1-CD1 4.43Å; F379-F434 AromaticContact CE1-CE1 3.73Å; F379-F434 HydrophobicContact CE1-CE1 3.73Å; F379-F434 AromaticContact CZ-CE1 3.61Å; F379-F434 HydrophobicContact CZ-CE1 3.61Å; F379-F434 HydrophobicContact CZ-CZ 4.31Å; V381-F434 HydrophobicContact CG2-CD1 4.02Å; V381-F434 HydrophobicContact CG2-CE1 4.44Å; F430-F434 AromaticContact CD1-CD2 3.4Å; F430-F434 HydrophobicContact CD1-CD2 3.4Å; F430-F434 VanDerWaalsContact CD1-CD2 3.4Å; F430-F434 AromaticContact CD1-CE2 3.49Å; F430-F434 HydrophobicContact CD1-CE2 3.49Å; F430-F434 VanDerWaalsContact CD1-CE2 3.49Å; F430-F434 HydrophobicContact CD2-CE2 4.06Å; F430-F434 AromaticContact CE1-CD2 3.16Å; F430-F434 HydrophobicContact CE1-CD2 3.16Å; F430-F434 AromaticContact CE1-CE2 2.91Å; F430-F434 HydrophobicContact CE1-CE2 2.91Å; F430-F434 HydrophobicContact CE1-CG 4.31Å; F430-F434 AromaticContact CE1-CZ 3.86Å; F430-F434 HydrophobicContact CE1-CZ 3.86Å; F430-F434 HydrophobicContact CE2-CD2 4.48Å; F430-F434 AromaticContact CE2-CE2 3.6Å; F430-F434 HydrophobicContact CE2-CE2 3.6Å; F430-F434 HydrophobicContact CE2-CZ 4.36Å; F430-F434 HydrophobicContact CG-CD2 4.16Å; F430-F434 HydrophobicContact CG-CE2 4.03Å; F430-F434 AromaticContact CZ-CD2 3.78Å; F430-F434 HydrophobicContact CZ-CD2 3.78Å; F430-F434 AromaticContact CZ-CE2 2.98Å; F430-F434 HydrophobicContact CZ-CE2 2.98Å; F430-F434 AromaticContact CZ-CZ 3.64Å; F430-F434 HydrophobicContact CZ-CZ 3.64Å; F430-F434 VanDerWaalsContact O-CD2 3.32Å; F430-F434 WeakPolarHBondContact O-CD2 3.36Å; F430-F434 PolarHBondContact O-N 3.25Å; E431-F434 PolarHBondContact O-N 2.94Å; E431-F434 VanDerWaalsContact O-N 3.14Å; E432-F434 PolarHBondContact O-N 3.07Å; F434-R436 VanDerWaalsContact C-N 3.32Å; F434-I437 PolarHBondContact O-N 3.27Å; F434-N438 VanDerWaalsContact O-CB 3.27Å; F434-N438 WeakPolarHBondContact O-CB 3.06Å; F434-N438 PolarHBondContact O-N 2.98Å; F434-F463 AromaticContact CD2-CE1 3.67Å; F434-F463 HydrophobicContact CD2-CE1 3.67Å; F434-F463 AromaticContact CD2-CZ 3.56Å; F434-F463 HydrophobicContact CD2-CZ 3.56Å; F434-F463 HydrophobicContact CE1-CZ 4.39Å; F434-F463 AromaticContact CE2-CE1 3.64Å; F434-F463 HydrophobicContact CE2-CE1 3.64Å; F434-F463 HydrophobicContact CE2-CE2 4.49Å; F434-F463 AromaticContact CE2-CZ 3.3Å; F434-F463 HydrophobicContact CE2-CZ 3.3Å; F434-F463 HydrophobicContact CG-CZ 4.17Å; F434-F463 AromaticContact CZ-CZ 3.84Å; F434-F463 HydrophobicContact CZ-CZ 3.84Å; F434-F483 AromaticContact CE1-CZ 3.97Å; F434-F483 HydrophobicContact CE1-CZ 3.97Å; F434-F483 HydrophobicContact CE2-CZ 4.44Å; F434-F483 HydrophobicContact CZ-CE1 4.02Å; F434-F483 HydrophobicContact CZ-CE2 4.12Å; F434-F483 AromaticContact CZ-CZ 3.4Å; F434-F483 HydrophobicContact CZ-CZ 3.4Å; F434-F483 VanDerWaalsContact CZ-CZ 3.4Å
435	E	65.4	Low	56.5	Low	117 Å²	117	53 Å²	53	55%	0.547	25%	0.249	S	C	.	.	H	α-helix	trans	-59.5	-45.4	173	-73.7	177.7	179	0	0	110.5	E431 E432 N438 L439	E431-E435 WeakPolarHBondContact O-CG 3.33Å; E431-E435 PolarHBondContact O-N 3.43Å; E432-E435 PolarHBondContact O-N 3.1Å; E435-N438 PolarHBondContact O-N 2.76Å; E435-L439 WeakPolarHBondContact O-CG 3.33Å; E435-L439 PolarHBondContact O-N 3.49Å
436	R	67.2	Low	56.9	Low	40 Å²	40	53.7 Å²	53.7	15%	0.151	25%	0.249	C	C	.	.	H	α-helix	trans	-61.2	-44.3	174.9	-68.9	165	-173.7	-157.3	3.8	112.6	D114 D115 E432 G433 F434 N438 L439 L440 A462	D114-R436 PolarHBondContact O-NH1 2.74Å; D114-R436 PolarHBondContact O-NH2 2.77Å; D115-R436 VanDerWaalsContact CA-NH2 3.26Å; E432-R436 VanDerWaalsContact CD-NH2 3.33Å; E432-R436 WeakPolarHBondContact O-CD 3.49Å; E432-R436 WeakPolarHBondContact O-CG 3.38Å; E432-R436 PolarHBondContact O-N 3.3Å; E432-R436 IonicContact OE1-CZ 3.45Å; E432-R436 IonicContact OE1-NE 3.75Å; E432-R436 IonicContact OE1-NH2 2.85Å; E432-R436 PolarHBondContact OE1-NH2 3.34Å; E432-R436 IonicContact OE2-NH2 3.97Å; G433-R436 PolarHBondContact O-N 3.48Å; F434-R436 VanDerWaalsContact C-N 3.32Å; R436-N438 VanDerWaalsContact C-N 3.33Å; R436-N438 PolarHBondContact O-N 3.27Å; R436-L439 PolarHBondContact O-N 3.21Å; R436-L440 WeakPolarHBondContact O-CG 3.3Å; R436-L440 PolarHBondContact O-N 2.98Å; R436-A462 HydrophobicContact CB-CB 4.31Å; R436-A462 WeakPolarHBondContact CD-O 3.42Å; R436-A462 PolarHBondContact NH1-O 3.25Å; R436-A462 VanDerWaalsContact NH1-O 3.17Å
437	I	65	Low	57.2	Low	1 Å²	1	51.1 Å²	51.1	1%	0.005	24%	0.239	C	C	.	.	H	α-helix	trans	-58	-48	173.6	-78.4	162.3	0	0	0	110.5	V381 G433 F434 L439 L440 L441 F452 I458 F459 A462 F463	V381-I437 HydrophobicContact CG2-CG2 4.41Å; G433-I437 WeakPolarHBondContact O-CG1 3.4Å; G433-I437 PolarHBondContact O-N 3.02Å; F434-I437 PolarHBondContact O-N 3.27Å; I437-L439 VanDerWaalsContact C-N 3.3Å; I437-L439 PolarHBondContact O-N 2.98Å; I437-L440 WeakPolarHBondContact O-CB 3.35Å; I437-L440 PolarHBondContact O-N 3.32Å; I437-L440 VanDerWaalsContact O-N 3.15Å; I437-L441 HydrophobicContact CG2-CD1 3.91Å; I437-L441 HydrophobicContact CG2-CG 4.35Å; I437-L441 VanDerWaalsContact O-CG 3.28Å; I437-L441 WeakPolarHBondContact O-CG 3.28Å; I437-L441 PolarHBondContact O-N 3.48Å; I437-F452 HydrophobicContact CB-CE1 4.48Å; I437-F452 HydrophobicContact CD1-CE1 4.37Å; I437-F452 HydrophobicContact CD1-CZ 3.79Å; I437-F452 HydrophobicContact CG1-CE1 4.38Å; I437-F452 HydrophobicContact CG1-CZ 4.05Å; I437-F452 HydrophobicContact CG2-CD1 4.02Å; I437-F452 HydrophobicContact CG2-CE1 3.31Å; I437-F452 HydrophobicContact CG2-CZ 3.84Å; I437-I458 HydrophobicContact CG1-CG2 4.47Å; I437-F459 HydrophobicContact CD1-CD1 4.3Å; I437-F459 HydrophobicContact CD1-CE1 4.21Å; I437-A462 HydrophobicContact CD1-CB 4.05Å; I437-A462 HydrophobicContact CG1-CB 3.63Å; I437-F463 HydrophobicContact CD1-CD2 4.4Å; I437-F463 HydrophobicContact CD1-CE2 3.46Å; I437-F463 VanDerWaalsContact CD1-CE2 3.46Å; I437-F463 HydrophobicContact CD1-CZ 3.79Å
438	N	63.3	Low	57.3	Low	22 Å²	22	52.8 Å²	52.8	12%	0.118	24%	0.242	C	C	.	.	H	α-helix	trans	-66.3	-32.1	-179.2	179.3	43	0	0	0	112.5	K384 F434 E435 R436 L441 Q442	K384-N438 WeakPolarHBondContact CA-ND2 3.25Å; K384-N438 VanDerWaalsContact CB-ND2 3.3Å; K384-N438 WeakPolarHBondContact CB-ND2 3.23Å; K384-N438 VanDerWaalsContact CG-ND2 3.27Å; K384-N438 WeakPolarHBondContact CG-ND2 3.4Å; F434-N438 VanDerWaalsContact O-CB 3.27Å; F434-N438 WeakPolarHBondContact O-CB 3.06Å; F434-N438 PolarHBondContact O-N 2.98Å; E435-N438 PolarHBondContact O-N 2.76Å; R436-N438 VanDerWaalsContact C-N 3.33Å; R436-N438 PolarHBondContact O-N 3.27Å; N438-L441 PolarHBondContact O-N 2.93Å; N438-Q442 PolarHBondContact ND2-NE2 2.99Å; N438-Q442 VanDerWaalsContact O-CG 3.28Å; N438-Q442 WeakPolarHBondContact O-CG 3.12Å; N438-Q442 PolarHBondContact O-N 3.18Å; N438-Q442 PolarHBondContact O-NE2 3.19Å; N438-Q442 PolarHBondContact OD1-NE2 3.34Å
439	L	61.9	Low	57.6	Low	61 Å²	61	51.4 Å²	51.4	32%	0.319	24%	0.24	S	C	.	.	H	α-helix	trans	-66.2	-42.5	170.5	-73	168.7	0	0	0	111.5	E435 R436 I437 L441 Q442 H443	E435-L439 WeakPolarHBondContact O-CG 3.33Å; E435-L439 PolarHBondContact O-N 3.49Å; R436-L439 PolarHBondContact O-N 3.21Å; I437-L439 VanDerWaalsContact C-N 3.3Å; I437-L439 PolarHBondContact O-N 2.98Å; L439-L441 VanDerWaalsContact C-N 3.33Å; L439-L441 PolarHBondContact O-N 3.14Å; L439-Q442 PolarHBondContact O-N 2.82Å; L439-H443 PolarHBondContact O-CD2 3.11Å
440	L	61.9	Low	57.5	Low	22 Å²	22	50.9 Å²	50.9	12%	0.115	24%	0.243	C	C	.	.	H	α-helix	trans	-60	-43.2	173	-72.2	161.4	0	0	0	111.6	W117 L194 R436 I437 Q442 H443 L447 I458	W117-L440 HydrophobicContact CD2-CD2 3.76Å; W117-L440 HydrophobicContact CE3-CD2 3.43Å; W117-L440 VanDerWaalsContact CE3-CD2 3.43Å; W117-L440 HydrophobicContact CE3-CG 3.9Å; W117-L440 HydrophobicContact CH2-CD2 3.92Å; W117-L440 HydrophobicContact CZ2-CD2 4.22Å; W117-L440 HydrophobicContact CZ3-CB 4.41Å; W117-L440 HydrophobicContact CZ3-CD2 3.54Å; W117-L440 HydrophobicContact CZ3-CG 4.09Å; L194-L440 HydrophobicContact CD2-CD2 4.43Å; R436-L440 WeakPolarHBondContact O-CG 3.3Å; R436-L440 PolarHBondContact O-N 2.98Å; I437-L440 WeakPolarHBondContact O-CB 3.35Å; I437-L440 PolarHBondContact O-N 3.32Å; I437-L440 VanDerWaalsContact O-N 3.15Å; L440-Q442 VanDerWaalsContact C-N 3.25Å; L440-Q442 PolarHBondContact O-N 3.26Å; L440-H443 PolarHBondContact O-N 3.39Å; L440-L447 WeakPolarHBondContact O-CD1 2.98Å; L440-I458 HydrophobicContact CD1-CG2 3.61Å
441	L	58.6	Low	58	Low	10 Å²	10	51.4 Å²	51.4	5%	0.052	25%	0.246	C	C	.	.	H	α-helix	trans	-67.4	-20.3	-179.6	-70.6	176.2	0	0	0	114.6	I437 N438 L439 H443 L447 T450 E451 F452	I437-L441 HydrophobicContact CG2-CD1 3.91Å; I437-L441 HydrophobicContact CG2-CG 4.35Å; I437-L441 VanDerWaalsContact O-CG 3.28Å; I437-L441 WeakPolarHBondContact O-CG 3.28Å; I437-L441 PolarHBondContact O-N 3.48Å; N438-L441 PolarHBondContact O-N 2.93Å; L439-L441 VanDerWaalsContact C-N 3.33Å; L439-L441 PolarHBondContact O-N 3.14Å; L441-H443 PolarHBondContact O-N 2.97Å; L441-L447 HydrophobicContact CD2-CB 4.33Å; L441-L447 HydrophobicContact CD2-CD2 4.39Å; L441-T450 WeakPolarHBondContact CD1-O 3.48Å; L441-E451 VanDerWaalsContact CD2-C 3.48Å; L441-F452 HydrophobicContact CD1-CD1 4.36Å; L441-F452 HydrophobicContact CD2-CB 4.18Å; L441-F452 HydrophobicContact CD2-CD1 4.12Å
442	Q	58.4	Low	58.5	Low	62 Å²	62	48.1 Å²	48.1	29%	0.29	23%	0.23	S	C	.	.	T	Hydrogen-bonded Turn	trans	-75	-7.5	178.4	-77.9	164.6	55.9	0	0	113.2	K384 N438 L439 L440	K384-Q442 VanDerWaalsContact CE-CD 3.45Å; N438-Q442 PolarHBondContact ND2-NE2 2.99Å; N438-Q442 VanDerWaalsContact O-CG 3.28Å; N438-Q442 WeakPolarHBondContact O-CG 3.12Å; N438-Q442 PolarHBondContact O-N 3.18Å; N438-Q442 PolarHBondContact O-NE2 3.19Å; N438-Q442 PolarHBondContact OD1-NE2 3.34Å; L439-Q442 PolarHBondContact O-N 2.82Å; L440-Q442 VanDerWaalsContact C-N 3.25Å; L440-Q442 PolarHBondContact O-N 3.26Å
443	H	57.5	Low	58.9	Low	44 Å²	44	47.2 Å²	47.2	20%	0.204	22%	0.224	C	C	.	.	S	Bend	trans	-133.9	120.5	-171.1	-66.3	-79.5	0	0	0	112.5	W117 S119 L439 L440 L441	W117-H443 HydrophobicContact CH2-CB 4.39Å; S119-H443 WeakPolarHBondContact CB-CD2 3.42Å; S119-H443 WeakPolarHBondContact CB-NE2 3.17Å; S119-H443 PolarHBondContact OG-CD2 3.17Å; S119-H443 PolarHBondContact OG-CE1 3.25Å; S119-H443 PolarHBondContact OG-NE2 3.32Å; L439-H443 PolarHBondContact O-CD2 3.11Å; L440-H443 PolarHBondContact O-N 3.39Å; L441-H443 PolarHBondContact O-N 2.97Å
444	G	48.8	Very low	59.1	Low	1 Å²	1	47.6 Å²	47.6	1%	0.01	23%	0.226	C	C	.	.			trans	110.4	122	-177.9	0	0	0	0	0	110.5	D75 E446 L447 K448	D75-G444 PolarHBondContact OD2-N 2.86Å; G444-E446 PolarHBondContact O-N 3.26Å; G444-L447 CarbonylContact O-C 3.46Å; G444-L447 WeakPolarHBondContact O-CA 3.44Å; G444-L447 PolarHBondContact O-N 3.16Å; G444-K448 PolarHBondContact O-N 2.97Å
445	E	47.9	Very low	59.1	Low	102 Å²	102	46.9 Å²	46.9	48%	0.477	22%	0.223	S	C	.	.	H	α-helix	trans	-56.8	-35.2	176.9	-66.2	-115.8	125.1	0	0	112.5	P74 L447 K448	P74-E445 HydrophobicContact CG-CG 4.04Å; P74-E445 WeakPolarHBondContact CG-OE1 3.1Å; E445-L447 PolarHBondContact O-N 3.2Å; E445-K448 HydrophobicContact CB-CD 4.4Å; E445-K448 HydrophobicContact CG-CD 4.13Å; E445-K448 WeakPolarHBondContact O-CB 3.25Å; E445-K448 PolarHBondContact O-N 2.92Å; E445-K448 WeakPolarHBondContact OE1-CD 3.46Å; E445-K448 IonicContact OE1-NZ 2.63Å; E445-K448 PolarHBondContact OE1-NZ 3.49Å
446	E	48	Very low	59.3	Low	126 Å²	126	41.3 Å²	41.3	59%	0.589	20%	0.197	S	C	*	.	H	α-helix	trans	-64.2	-22.1	175.8	-66.4	178.2	150.5	0	0	112.4	V79 G444	V79-E446 PolarHBondContact N-OE2 3.44Å; V79-E446 VanDerWaalsContact N-OE2 3.12Å; V79-E446 VanDerWaalsContact O-OE2 3.13Å; G444-E446 PolarHBondContact O-N 3.26Å
447	L	49	Very low	59.6	Low	4 Å²	4	39.4 Å²	39.4	2%	0.021	19%	0.189	C	C	.	.	H	α-helix	trans	-100	-10.7	172	-61.2	178.4	0	0	0	113	V79 L440 L441 G444 E445 E449 T450 E451 F452	V79-L447 HydrophobicContact CG2-CD1 3.93Å; V79-L447 HydrophobicContact CG2-CG 4.02Å; L440-L447 WeakPolarHBondContact O-CD1 2.98Å; L441-L447 HydrophobicContact CD2-CB 4.33Å; L441-L447 HydrophobicContact CD2-CD2 4.39Å; G444-L447 CarbonylContact O-C 3.46Å; G444-L447 WeakPolarHBondContact O-CA 3.44Å; G444-L447 PolarHBondContact O-N 3.16Å; E445-L447 PolarHBondContact O-N 3.2Å; L447-E449 PolarHBondContact O-N 2.7Å; L447-E449 VanDerWaalsContact O-N 3.11Å; L447-T450 WeakPolarHBondContact O-CA 3.31Å; L447-T450 PolarHBondContact O-N 2.85Å; L447-E451 VanDerWaalsContact CD2-O 3.29Å; L447-E451 WeakPolarHBondContact CD2-O 3.1Å; L447-E451 PolarHBondContact O-N 3.45Å; L447-F452 HydrophobicContact CD2-CB 4.43Å
448	K	44.9	Very low	59.9	Low	92 Å²	92	39.9 Å²	39.9	40%	0.4	19%	0.192	S	C	.	.	H	α-helix	trans	-62.9	-15.1	177.2	-79.7	-177.1	-170.7	174.4	0	113	D75 G444 E445 T450	D75-K448 WeakPolarHBondContact OD2-CE 3.45Å; G444-K448 PolarHBondContact O-N 2.97Å; E445-K448 HydrophobicContact CB-CD 4.4Å; E445-K448 HydrophobicContact CG-CD 4.13Å; E445-K448 WeakPolarHBondContact O-CB 3.25Å; E445-K448 PolarHBondContact O-N 2.92Å; E445-K448 WeakPolarHBondContact OE1-CD 3.46Å; E445-K448 IonicContact OE1-NZ 2.63Å; E445-K448 PolarHBondContact OE1-NZ 3.49Å; K448-T450 PolarHBondContact O-N 2.73Å
449	E	49.6	Very low	60.2	Low	122 Å²	122	39 Å²	39	57%	0.57	19%	0.187	S	C	*	.	T	Hydrogen-bonded Turn	trans	-66.4	13.4	161	-70.7	-157.1	-174.4	0	0	113.1	K352 L447 E451	K352-E449 IonicContact NZ-OE2 3.51Å; K352-E449 PolarHBondContact NZ-OE2 2.61Å; L447-E449 PolarHBondContact O-N 2.7Å; L447-E449 VanDerWaalsContact O-N 3.11Å; E449-E451 HydrophobicContact CB-CB 4.36Å; E449-E451 WeakPolarHBondContact O-CB 3.36Å; E449-E451 WeakPolarHBondContact O-CG 3.34Å; E449-E451 PolarHBondContact O-N 3.25Å; E449-E451 VanDerWaalsContact O-N 3.14Å
450	T	51.4	Low	60.3	Low	74 Å²	74	36.1 Å²	36.1	45%	0.454	17%	0.172	S	C	.	.	T	Hydrogen-bonded Turn	trans	57.5	25.8	178.3	58.1	0	0	0	0	113	S380 L441 L447 K448	S380-T450 WeakPolarHBondContact CA-O 3.34Å; S380-T450 WeakPolarHBondContact CB-O 3.48Å; L441-T450 WeakPolarHBondContact CD1-O 3.48Å; L447-T450 WeakPolarHBondContact O-CA 3.31Å; L447-T450 PolarHBondContact O-N 2.85Å; K448-T450 PolarHBondContact O-N 2.73Å
451	E	67.5	Low	60.6	Low	16 Å²	16	35.8 Å²	35.8	8%	0.075	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.8	142	-160.5	-85.3	176	-153.8	0	0	113.1	K352 Y378 F379 L441 L447 E449	K352-E451 WeakPolarHBondContact CD-OE1 3.27Å; K352-E451 WeakPolarHBondContact CD-OE2 3.43Å; K352-E451 WeakPolarHBondContact CE-OE1 3.3Å; K352-E451 WeakPolarHBondContact CE-OE2 3.11Å; K352-E451 IonicContact NZ-OE1 2.7Å; K352-E451 PolarHBondContact NZ-OE1 2.97Å; K352-E451 IonicContact NZ-OE2 3.76Å; K352-E451 PolarHBondContact NZ-OE2 3.35Å; Y378-E451 VanDerWaalsContact CB-OE2 3.23Å; Y378-E451 WeakPolarHBondContact CB-OE2 3.22Å; Y378-E451 HydrophobicContact CD1-CB 3.97Å; Y378-E451 HydrophobicContact CG-CB 4.35Å; F379-E451 WeakPolarHBondContact O-CA 3.16Å; L441-E451 VanDerWaalsContact CD2-C 3.48Å; L447-E451 VanDerWaalsContact CD2-O 3.29Å; L447-E451 WeakPolarHBondContact CD2-O 3.1Å; L447-E451 PolarHBondContact O-N 3.45Å; E449-E451 HydrophobicContact CB-CB 4.36Å; E449-E451 WeakPolarHBondContact O-CB 3.36Å; E449-E451 WeakPolarHBondContact O-CG 3.34Å; E449-E451 PolarHBondContact O-N 3.25Å; E449-E451 VanDerWaalsContact O-N 3.14Å
452	F	68.8	Low	60.9	Low	4 Å²	4	35.6 Å²	35.6	2%	0.018	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.1	151.6	171.8	68.3	-80.4	0	0	0	111.1	Y378 F379 I437 L441 L447 L454 I458 F459	Y378-F452 CarbonylContact C-O 3.57Å; Y378-F452 VanDerWaalsContact CA-O 3.28Å; Y378-F452 WeakPolarHBondContact CA-O 3.11Å; F379-F452 HydrophobicContact CB-CD1 4.28Å; F379-F452 HydrophobicContact CB-CE1 3.95Å; F379-F452 HydrophobicContact CB-CZ 4.2Å; F379-F452 HydrophobicContact CD1-CD1 4.15Å; F379-F452 AromaticContact CD1-CE1 3.27Å; F379-F452 HydrophobicContact CD1-CE1 3.27Å; F379-F452 AromaticContact CD1-CZ 3.76Å; F379-F452 HydrophobicContact CD1-CZ 3.76Å; F379-F452 HydrophobicContact CE1-CE1 4.12Å; F379-F452 HydrophobicContact CG-CE1 4.01Å; F379-F452 HydrophobicContact CG-CZ 4.26Å; F379-F452 PolarHBondContact N-O 3.19Å; F379-F452 WeakPolarHBondContact O-CD1 3.23Å; F379-F452 PolarHBondContact O-N 2.86Å; I437-F452 HydrophobicContact CB-CE1 4.48Å; I437-F452 HydrophobicContact CD1-CE1 4.37Å; I437-F452 HydrophobicContact CD1-CZ 3.79Å; I437-F452 HydrophobicContact CG1-CE1 4.38Å; I437-F452 HydrophobicContact CG1-CZ 4.05Å; I437-F452 HydrophobicContact CG2-CD1 4.02Å; I437-F452 HydrophobicContact CG2-CE1 3.31Å; I437-F452 HydrophobicContact CG2-CZ 3.84Å; L441-F452 HydrophobicContact CD1-CD1 4.36Å; L441-F452 HydrophobicContact CD2-CB 4.18Å; L441-F452 HydrophobicContact CD2-CD1 4.12Å; L447-F452 HydrophobicContact CD2-CB 4.43Å; F452-L454 PolarHBondContact O-N 3.06Å; F452-I458 HydrophobicContact CB-CD1 4.39Å; F452-I458 HydrophobicContact CD2-CB 4.42Å; F452-I458 HydrophobicContact CD2-CD1 4.44Å; F452-I458 HydrophobicContact CD2-CG2 4.48Å; F452-I458 HydrophobicContact CE2-CB 4.49Å; F452-I458 HydrophobicContact CE2-CG2 4.38Å; F452-F459 HydrophobicContact CD2-CD2 4.14Å; F452-F459 AromaticContact CD2-CE2 3.78Å; F452-F459 HydrophobicContact CD2-CE2 3.78Å; F452-F459 HydrophobicContact CD2-CZ 4.47Å; F452-F459 HydrophobicContact CE1-CE2 4.27Å; F452-F459 HydrophobicContact CE1-CZ 4.03Å; F452-F459 HydrophobicContact CE2-CD1 4.24Å; F452-F459 AromaticContact CE2-CD2 3.18Å; F452-F459 HydrophobicContact CE2-CD2 3.18Å; F452-F459 HydrophobicContact CE2-CE1 4Å; F452-F459 AromaticContact CE2-CE2 2.83Å; F452-F459 HydrophobicContact CE2-CE2 2.83Å; F452-F459 AromaticContact CE2-CG 3.86Å; F452-F459 HydrophobicContact CE2-CG 3.86Å; F452-F459 AromaticContact CE2-CZ 3.33Å; F452-F459 HydrophobicContact CE2-CZ 3.33Å; F452-F459 HydrophobicContact CZ-CD1 4.14Å; F452-F459 AromaticContact CZ-CD2 3.8Å; F452-F459 HydrophobicContact CZ-CD2 3.8Å; F452-F459 AromaticContact CZ-CE1 3.55Å; F452-F459 HydrophobicContact CZ-CE1 3.55Å; F452-F459 AromaticContact CZ-CE2 3.14Å; F452-F459 HydrophobicContact CZ-CE2 3.14Å; F452-F459 HydrophobicContact CZ-CG 4.23Å; F452-F459 AromaticContact CZ-CZ 3Å; F452-F459 HydrophobicContact CZ-CZ 3Å
453	R	72.7	Confident	61.2	Low	55 Å²	55	33 Å²	33	21%	0.208	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-63.1	124.2	179.4	-63.7	-176.4	-174.7	176.8	6.9	109.7	Y81 C377 Y378 M455 S456	Y81-R453 HydrophobicContact CE1-CB 4.24Å; Y81-R453 HydrophobicContact CE1-CG 4.32Å; Y81-R453 HydrophobicContact CE2-CG 4.24Å; C377-R453 WeakPolarHBondContact O-CA 3.35Å; Y378-R453 HydrophobicContact CD1-CG 4.12Å; Y378-R453 HydrophobicContact CE1-CG 3.47Å; Y378-R453 VanDerWaalsContact CE1-CG 3.47Å; Y378-R453 HydrophobicContact CE2-CG 4.48Å; Y378-R453 PolarHBondContact OH-NE 2.94Å; Y378-R453 VanDerWaalsContact OH-NE 3.1Å; R453-M455 PolarHBondContact O-N 3.39Å; R453-S456 VanDerWaalsContact O-CB 3.32Å; R453-S456 WeakPolarHBondContact O-CB 3.08Å; R453-S456 PolarHBondContact O-N 3.35Å; R453-S456 PolarHBondContact O-OG 3.15Å
454	L	67.8	Low	61.5	Low	9 Å²	9	31.9 Å²	31.9	5%	0.047	15%	0.154	C	C	.	.	T	Hydrogen-bonded Turn	trans	-55.5	-25.1	176.4	-86.7	175.2	0	0	0	113	V351 C377 F379 F452 S456 F459 C508 F509	V351-L454 HydrophobicContact CG1-CD1 3.56Å; V351-L454 HydrophobicContact CG2-CD1 4.31Å; C377-L454 HydrophobicContact CB-CB 4.39Å; C377-L454 HydrophobicContact CB-CD1 3.7Å; C377-L454 HydrophobicContact CB-CG 4.42Å; C377-L454 PolarHBondContact O-N 3.31Å; F379-L454 HydrophobicContact CB-CD2 3.67Å; F379-L454 HydrophobicContact CB-CG 3.98Å; F379-L454 HydrophobicContact CD2-CD2 4.27Å; F379-L454 HydrophobicContact CG-CD2 4.32Å; F452-L454 PolarHBondContact O-N 3.06Å; L454-S456 VanDerWaalsContact C-N 3.32Å; L454-F459 HydrophobicContact CD2-CE2 3.52Å; L454-F459 HydrophobicContact CD2-CZ 3.75Å; L454-F459 HydrophobicContact CG-CE2 4.46Å; L454-C508 HydrophobicContact CD1-CB 3.8Å; L454-F509 HydrophobicContact CD1-CE1 4.46Å; L454-F509 HydrophobicContact CD1-CE2 3.8Å; L454-F509 HydrophobicContact CD1-CZ 3.7Å; L454-F509 HydrophobicContact CD2-CE1 4.13Å; L454-F509 HydrophobicContact CD2-CE2 4.44Å; L454-F509 HydrophobicContact CD2-CZ 3.59Å; L454-F509 HydrophobicContact CG-CZ 4.36Å
455	M	66.7	Low	61.8	Low	1 Å²	1	32.2 Å²	32.2	1%	0.005	16%	0.158	C	C	.	.	T	Hydrogen-bonded Turn	trans	-82.4	-7.3	178.4	-60.6	-171.9	78.1	0	0	115.2	W83 M198 A199 P200 R453 Y547	W83-M455 HydrophobicContact CH2-CE 3.41Å; W83-M455 VanDerWaalsContact CH2-CE 3.41Å; W83-M455 HydrophobicContact CH2-SD 3.77Å; W83-M455 HydrophobicContact CZ3-CE 3.52Å; W83-M455 HydrophobicContact CZ3-SD 4.39Å; M198-M455 CarbonylContact C-O 3.54Å; M198-M455 WeakPolarHBondContact CA-O 3.5Å; A199-M455 CarbonylContact C-O 3.49Å; A199-M455 PolarHBondContact N-O 3.49Å; P200-M455 WeakPolarHBondContact CA-O 3.18Å; P200-M455 HydrophobicContact CB-CB 4.42Å; P200-M455 HydrophobicContact CG-CE 4.09Å; P200-M455 VanDerWaalsContact N-O 3.16Å; R453-M455 PolarHBondContact O-N 3.39Å; M455-Y547 HydrophobicContact CE-CG 4.21Å; M455-Y547 WeakPolarHBondContact SD-CB 3.33Å; M455-Y547 HydrophobicContact SD-CD2 4.13Å; M455-Y547 HydrophobicContact SD-CG 3.85Å
456	S	69.4	Low	62.2	Low	0 Å²	0	30.6 Å²	30.6	0%	0	15%	0.15	C	C	.	.	S	Bend	trans	-73	144.7	-179.8	64.8	0	0	0	0	110.5	A197 R453 L454 I458	A197-S456 WeakPolarHBondContact O-CA 3.17Å; R453-S456 VanDerWaalsContact O-CB 3.32Å; R453-S456 WeakPolarHBondContact O-CB 3.08Å; R453-S456 PolarHBondContact O-N 3.35Å; R453-S456 PolarHBondContact O-OG 3.15Å; L454-S456 VanDerWaalsContact C-N 3.32Å; S456-I458 PolarHBondContact O-N 3.08Å; S456-I458 VanDerWaalsContact O-N 3.12Å
457	S	73.2	Confident	62.4	Low	0 Å²	0	24.6 Å²	24.6	0%	0	12%	0.123	C	C	.	.	T	Hydrogen-bonded Turn	trans	-65.5	-6.9	171.5	24.4	0	0	0	0	113.5	L172 Q175 A197 F459 V460 D461	L172-S457 VanDerWaalsContact CD2-OG 3.3Å; L172-S457 WeakPolarHBondContact CD2-OG 3.36Å; Q175-S457 PolarHBondContact NE2-OG 2.77Å; Q175-S457 PolarHBondContact OE1-OG 2.96Å; A197-S457 WeakPolarHBondContact CB-OG 3.16Å; A197-S457 PolarHBondContact O-N 3.28Å; A197-S457 PolarHBondContact O-OG 2.91Å; S457-F459 PolarHBondContact O-N 3.45Å; S457-F459 VanDerWaalsContact O-N 3.12Å; S457-V460 WeakPolarHBondContact O-CA 3.43Å; S457-V460 WeakPolarHBondContact O-CB 3.27Å; S457-V460 PolarHBondContact O-N 3.35Å; S457-D461 PolarHBondContact O-N 3.39Å
458	I	71.5	Confident	62.7	Low	11 Å²	11	26.3 Å²	26.3	6%	0.056	13%	0.13	C	C	.	.	H	α-helix	trans	-49.7	-38.9	173	-60.5	173.1	0	0	0	111.2	I196 I437 L440 F452 S456 V460 D461 A462	I196-I458 HydrophobicContact CD1-CD1 3.39Å; I196-I458 HydrophobicContact CD1-CG1 3.87Å; I196-I458 HydrophobicContact CG2-CD1 3.96Å; I196-I458 HydrophobicContact CG2-CG1 3.57Å; I437-I458 HydrophobicContact CG1-CG2 4.47Å; L440-I458 HydrophobicContact CD1-CG2 3.61Å; F452-I458 HydrophobicContact CB-CD1 4.39Å; F452-I458 HydrophobicContact CD2-CB 4.42Å; F452-I458 HydrophobicContact CD2-CD1 4.44Å; F452-I458 HydrophobicContact CD2-CG2 4.48Å; F452-I458 HydrophobicContact CE2-CB 4.49Å; F452-I458 HydrophobicContact CE2-CG2 4.38Å; S456-I458 PolarHBondContact O-N 3.08Å; S456-I458 VanDerWaalsContact O-N 3.12Å; I458-V460 PolarHBondContact O-N 3.29Å; I458-D461 PolarHBondContact O-N 3.44Å; I458-A462 WeakPolarHBondContact O-CB 3.12Å; I458-A462 PolarHBondContact O-N 3.46Å
459	F	68.4	Low	63	Low	2 Å²	2	22 Å²	22	1%	0.009	11%	0.112	C	C	.	.	H	α-helix	trans	-57.4	-50.8	175	-90.9	-74.4	0	0	0	111	P201 F379 I437 F452 L454 S457 D461 F463 F483	P201-F459 HydrophobicContact CG-CB 4.1Å; F379-F459 HydrophobicContact CB-CE2 4.22Å; F379-F459 HydrophobicContact CB-CZ 3.88Å; F379-F459 AromaticContact CD1-CZ 3.99Å; F379-F459 HydrophobicContact CD1-CZ 3.99Å; F379-F459 HydrophobicContact CD2-CZ 4.16Å; F379-F459 AromaticContact CG-CZ 3.72Å; F379-F459 HydrophobicContact CG-CZ 3.72Å; I437-F459 HydrophobicContact CD1-CD1 4.3Å; I437-F459 HydrophobicContact CD1-CE1 4.21Å; F452-F459 HydrophobicContact CD2-CD2 4.14Å; F452-F459 AromaticContact CD2-CE2 3.78Å; F452-F459 HydrophobicContact CD2-CE2 3.78Å; F452-F459 HydrophobicContact CD2-CZ 4.47Å; F452-F459 HydrophobicContact CE1-CE2 4.27Å; F452-F459 HydrophobicContact CE1-CZ 4.03Å; F452-F459 HydrophobicContact CE2-CD1 4.24Å; F452-F459 AromaticContact CE2-CD2 3.18Å; F452-F459 HydrophobicContact CE2-CD2 3.18Å; F452-F459 HydrophobicContact CE2-CE1 4Å; F452-F459 AromaticContact CE2-CE2 2.83Å; F452-F459 HydrophobicContact CE2-CE2 2.83Å; F452-F459 AromaticContact CE2-CG 3.86Å; F452-F459 HydrophobicContact CE2-CG 3.86Å; F452-F459 AromaticContact CE2-CZ 3.33Å; F452-F459 HydrophobicContact CE2-CZ 3.33Å; F452-F459 HydrophobicContact CZ-CD1 4.14Å; F452-F459 AromaticContact CZ-CD2 3.8Å; F452-F459 HydrophobicContact CZ-CD2 3.8Å; F452-F459 AromaticContact CZ-CE1 3.55Å; F452-F459 HydrophobicContact CZ-CE1 3.55Å; F452-F459 AromaticContact CZ-CE2 3.14Å; F452-F459 HydrophobicContact CZ-CE2 3.14Å; F452-F459 HydrophobicContact CZ-CG 4.23Å; F452-F459 AromaticContact CZ-CZ 3Å; F452-F459 HydrophobicContact CZ-CZ 3Å; L454-F459 HydrophobicContact CD2-CE2 3.52Å; L454-F459 HydrophobicContact CD2-CZ 3.75Å; L454-F459 HydrophobicContact CG-CE2 4.46Å; S457-F459 PolarHBondContact O-N 3.45Å; S457-F459 VanDerWaalsContact O-N 3.12Å; F459-D461 VanDerWaalsContact C-N 3.34Å; F459-D461 PolarHBondContact O-N 2.96Å; F459-F463 HydrophobicContact CD1-CD2 4.17Å; F459-F463 AromaticContact CD1-CE2 3.68Å; F459-F463 HydrophobicContact CD1-CE2 3.68Å; F459-F463 HydrophobicContact CE1-CE2 4.14Å; F459-F463 WeakPolarHBondContact O-CD2 3.27Å; F459-F463 PolarHBondContact O-N 2.89Å; F459-F483 HydrophobicContact CD1-CE2 4.22Å; F459-F483 AromaticContact CE1-CE2 3.62Å; F459-F483 HydrophobicContact CE1-CE2 3.62Å; F459-F483 AromaticContact CE1-CZ 3.72Å; F459-F483 HydrophobicContact CE1-CZ 3.72Å; F459-F483 HydrophobicContact CZ-CE2 4.47Å; F459-F483 HydrophobicContact CZ-CZ 4.32Å
460	V	64.9	Low	63.1	Low	2 Å²	2	18.1 Å²	18.1	1%	0.012	10%	0.095	C	C	.	.	H	α-helix	trans	-61.4	-47.3	178.7	-178.5	0	0	0	0	110.4	P201 P314 S457 I458 C464 L476	P201-V460 HydrophobicContact CB-CG2 3.81Å; P314-V460 HydrophobicContact CB-CG2 3.86Å; P314-V460 HydrophobicContact CG-CB 4.31Å; P314-V460 HydrophobicContact CG-CG1 4.07Å; P314-V460 HydrophobicContact CG-CG2 3.98Å; S457-V460 WeakPolarHBondContact O-CA 3.43Å; S457-V460 WeakPolarHBondContact O-CB 3.27Å; S457-V460 PolarHBondContact O-N 3.35Å; I458-V460 PolarHBondContact O-N 3.29Å; V460-C464 HydrophobicContact CG1-CB 4.45Å; V460-C464 WeakPolarHBondContact O-CA 3.2Å; V460-C464 WeakPolarHBondContact O-CB 3.33Å; V460-C464 PolarHBondContact O-N 2.94Å; V460-L476 HydrophobicContact CB-CD1 4.17Å; V460-L476 HydrophobicContact CG1-CD1 4.05Å; V460-L476 HydrophobicContact CG2-CD1 3.78Å
461	D	67.5	Low	63	Low	15 Å²	15	15.9 Å²	15.9	8%	0.08	8%	0.084	C	C	.	.	H	α-helix	trans	-69.2	-37.8	-175	-63.5	-35	0	0	0	112.1	Q175 S457 I458 F459 G465 G467 H468 G469	Q175-D461 PolarHBondContact NE2-OD2 3.04Å; S457-D461 PolarHBondContact O-N 3.39Å; I458-D461 PolarHBondContact O-N 3.44Å; F459-D461 VanDerWaalsContact C-N 3.34Å; F459-D461 PolarHBondContact O-N 2.96Å; D461-G465 WeakPolarHBondContact O-CA 3.27Å; D461-G465 PolarHBondContact O-N 2.93Å; D461-G467 VanDerWaalsContact OD1-C 3.27Å; D461-G467 WeakPolarHBondContact OD1-CA 3.01Å; D461-G467 PolarHBondContact OD1-N 2.81Å; D461-H468 PolarHBondContact OD1-N 3.33Å; D461-G469 PolarHBondContact OD1-N 2.98Å
462	A	66.1	Low	62.2	Low	6 Å²	6	17.8 Å²	17.8	5%	0.05	10%	0.095	C	C	.	.	H	α-helix	trans	-66.1	-44.4	178	0	0	0	0	0	112.1	R436 I437 I458	R436-A462 HydrophobicContact CB-CB 4.31Å; R436-A462 WeakPolarHBondContact CD-O 3.42Å; R436-A462 PolarHBondContact NH1-O 3.25Å; R436-A462 VanDerWaalsContact NH1-O 3.17Å; I437-A462 HydrophobicContact CD1-CB 4.05Å; I437-A462 HydrophobicContact CG1-CB 3.63Å; I458-A462 WeakPolarHBondContact O-CB 3.12Å; I458-A462 PolarHBondContact O-N 3.46Å
463	F	63.9	Low	61.3	Low	8 Å²	8	19.5 Å²	19.5	4%	0.035	11%	0.107	C	C	.	.	H	α-helix	trans	-87.3	-27.1	-176.5	-71.4	-73.6	0	0	0	113.9	F430 F434 I437 F459 C475 L476 P479	F430-F463 HydrophobicContact CG-CE1 4.44Å; F430-F463 VanDerWaalsContact O-CE1 3.31Å; F430-F463 WeakPolarHBondContact O-CE1 3.34Å; F434-F463 AromaticContact CD2-CE1 3.67Å; F434-F463 HydrophobicContact CD2-CE1 3.67Å; F434-F463 AromaticContact CD2-CZ 3.56Å; F434-F463 HydrophobicContact CD2-CZ 3.56Å; F434-F463 HydrophobicContact CE1-CZ 4.39Å; F434-F463 AromaticContact CE2-CE1 3.64Å; F434-F463 HydrophobicContact CE2-CE1 3.64Å; F434-F463 HydrophobicContact CE2-CE2 4.49Å; F434-F463 AromaticContact CE2-CZ 3.3Å; F434-F463 HydrophobicContact CE2-CZ 3.3Å; F434-F463 HydrophobicContact CG-CZ 4.17Å; F434-F463 AromaticContact CZ-CZ 3.84Å; F434-F463 HydrophobicContact CZ-CZ 3.84Å; I437-F463 HydrophobicContact CD1-CD2 4.4Å; I437-F463 HydrophobicContact CD1-CE2 3.46Å; I437-F463 VanDerWaalsContact CD1-CE2 3.46Å; I437-F463 HydrophobicContact CD1-CZ 3.79Å; F459-F463 HydrophobicContact CD1-CD2 4.17Å; F459-F463 AromaticContact CD1-CE2 3.68Å; F459-F463 HydrophobicContact CD1-CE2 3.68Å; F459-F463 HydrophobicContact CE1-CE2 4.14Å; F459-F463 WeakPolarHBondContact O-CD2 3.27Å; F459-F463 PolarHBondContact O-N 2.89Å; F463-C475 WeakPolarHBondContact O-CB 3.5Å; F463-L476 HydrophobicContact CB-CD2 3.51Å; F463-L476 HydrophobicContact CB-CG 4.45Å; F463-L476 HydrophobicContact CD2-CD2 3.97Å; F463-L476 HydrophobicContact CG-CD2 4.03Å; F463-P479 HydrophobicContact CB-CG 4.3Å; F463-P479 HydrophobicContact CD1-CB 3.97Å; F463-P479 HydrophobicContact CD1-CG 3.31Å; F463-P479 HydrophobicContact CD2-CB 4.23Å; F463-P479 HydrophobicContact CD2-CG 4.33Å; F463-P479 HydrophobicContact CE1-CB 3.98Å; F463-P479 HydrophobicContact CE1-CG 3.65Å; F463-P479 HydrophobicContact CE2-CB 4.32Å; F463-P479 HydrophobicContact CG-CB 4.13Å; F463-P479 HydrophobicContact CG-CG 3.73Å; F463-P479 HydrophobicContact CZ-CB 4.21Å; F463-P479 HydrophobicContact CZ-CG 4.37Å
464	C	63.3	Low	60.3	Low	19 Å²	19	19 Å²	19	13%	0.128	11%	0.111	C	C	.	.	H	α-helix	trans	-101.9	-18.8	-179.6	-59.4	0	0	0	0	113.5	V460 Q466 C475 L476	V460-C464 HydrophobicContact CG1-CB 4.45Å; V460-C464 WeakPolarHBondContact O-CA 3.2Å; V460-C464 WeakPolarHBondContact O-CB 3.33Å; V460-C464 PolarHBondContact O-N 2.94Å; C464-Q466 PolarHBondContact O-N 2.89Å; C464-C475 HydrophobicContact CB-CB 3.91Å; C464-C475 WeakPolarHBondContact CB-SG 3.41Å; C464-C475 WeakPolarHBondContact SG-CB 3.44Å; C464-C475 CovalentContact SG-SG 2.04Å; C464-C475 PolarHBondContact SG-SG 3.48Å; C464-L476 VanDerWaalsContact SG-CG 3.5Å
465	G	56.4	Low	59.9	Low	8 Å²	8	18.6 Å²	18.6	8%	0.082	11%	0.11	C	C	.	.			trans	46.7	66.1	-178.7	0	0	0	0	0	109.9	D114 D461	D114-G465 WeakPolarHBondContact CB-O 3.37Å; D461-G465 WeakPolarHBondContact O-CA 3.27Å; D461-G465 PolarHBondContact O-N 2.93Å
466	Q	55.8	Low	59.5	Low	68 Å²	68	18.6 Å²	18.6	32%	0.318	11%	0.11	S	C	.	.			trans	-133.8	4.7	167.1	-68.8	-159.7	-17.2	0	0	113.7	D114 C464 H468 I470	D114-Q466 VanDerWaalsContact CG-CA 3.49Å; D114-Q466 VanDerWaalsContact OD1-C 3.25Å; D114-Q466 WeakPolarHBondContact OD1-CA 3.37Å; D114-Q466 PolarHBondContact OD1-N 3.2Å; C464-Q466 PolarHBondContact O-N 2.89Å; Q466-H468 WeakPolarHBondContact O-CB 3.18Å; Q466-H468 PolarHBondContact O-CD2 3.28Å; Q466-H468 VanDerWaalsContact O-CD2 3.27Å; Q466-H468 PolarHBondContact O-N 3.02Å; Q466-I470 HydrophobicContact CB-CB 4.26Å; Q466-I470 HydrophobicContact CB-CD1 4.15Å; Q466-I470 HydrophobicContact CB-CG1 4.39Å
467	G	51	Low	59	Low	1 Å²	1	20.5 Å²	20.5	1%	0.01	12%	0.119	C	C	.	.	S	Bend	trans	55.9	-7.4	176.5	0	0	0	0	0	117.9	D114 Q175 D461	D114-G467 PolarHBondContact OD1-N 3.04Å; Q175-G467 PolarHBondContact NE2-O 3.48Å; D461-G467 VanDerWaalsContact OD1-C 3.27Å; D461-G467 WeakPolarHBondContact OD1-CA 3.01Å; D461-G467 PolarHBondContact OD1-N 2.81Å
468	H	56.4	Low	58.3	Low	39 Å²	39	21.5 Å²	21.5	18%	0.181	13%	0.125	C	C	.	.	S	Bend	trans	-135.3	15.5	-164.6	-59.5	-46.5	0	0	0	111.5	A141 Q145 E173 D461 Q466 I470	A141-H468 HydrophobicContact CB-CB 4.33Å; Q145-H468 VanDerWaalsContact CD-O 3.28Å; Q145-H468 WeakPolarHBondContact CG-O 3.37Å; Q145-H468 PolarHBondContact NE2-O 3.03Å; E173-H468 WeakPolarHBondContact CA-ND1 3.46Å; E173-H468 PolarHBondContact O-CE1 3.39Å; E173-H468 PolarHBondContact O-ND1 2.95Å; D461-H468 PolarHBondContact OD1-N 3.33Å; Q466-H468 WeakPolarHBondContact O-CB 3.18Å; Q466-H468 PolarHBondContact O-CD2 3.28Å; Q466-H468 VanDerWaalsContact O-CD2 3.27Å; Q466-H468 PolarHBondContact O-N 3.02Å; H468-I470 VanDerWaalsContact C-N 3.28Å; H468-I470 PolarHBondContact O-N 3.45Å
469	G	50.7	Low	57.7	Low	1 Å²	1	21 Å²	21	1%	0.01	12%	0.123	C	C	.	.			trans	61.2	31.9	175.1	0	0	0	0	0	115.6	P314 D461 A471	P314-G469 VanDerWaalsContact CD-O 3.32Å; P314-G469 WeakPolarHBondContact CD-O 3.45Å; P314-G469 VanDerWaalsContact CG-O 3.25Å; P314-G469 WeakPolarHBondContact CG-O 3.25Å; D461-G469 PolarHBondContact OD1-N 2.98Å; G469-A471 PolarHBondContact O-N 2.85Å
470	I	52.8	Low	57.2	Low	41 Å²	41	21.4 Å²	21.4	21%	0.21	12%	0.124	C	C	.	.			trans	-60.7	129.6	173.3	-64.1	174.7	0	0	0	108.9	K144 Q466 H468 N472	K144-I470 HydrophobicContact CB-CD1 4.3Å; Q466-I470 HydrophobicContact CB-CB 4.26Å; Q466-I470 HydrophobicContact CB-CD1 4.15Å; Q466-I470 HydrophobicContact CB-CG1 4.39Å; H468-I470 VanDerWaalsContact C-N 3.28Å; H468-I470 PolarHBondContact O-N 3.45Å; I470-N472 PolarHBondContact O-N 2.82Å
471	A	48.8	Very low	56.8	Low	28 Å²	28	23 Å²	23	23%	0.231	13%	0.132	C	C	.	.			trans	-69.5	96.4	178.8	0	0	0	0	0	110.1	F313 G469	F313-A471 HydrophobicContact CB-CB 3.79Å; G469-A471 PolarHBondContact O-N 2.85Å
472	N	51.1	Low	56.3	Low	55 Å²	55	22.6 Å²	22.6	29%	0.294	13%	0.129	S	C	.	.			trans	-108.6	111.6	166.8	178.8	-5.5	0	0	0	109.6	I470 S474 C475	I470-N472 PolarHBondContact O-N 2.82Å; N472-S474 PolarHBondContact O-N 3.48Å; N472-S474 VanDerWaalsContact O-N 3.16Å; N472-S474 PolarHBondContact OD1-N 3.39Å; N472-S474 PolarHBondContact OD1-OG 2.72Å; N472-C475 WeakPolarHBondContact CB-SG 3.38Å; N472-C475 PolarHBondContact O-SG 3.5Å
473	C	48.3	Very low	55.8	Low	40 Å²	40	22.5 Å²	22.5	27%	0.27	13%	0.128	S	C	.	.	T	Hydrogen-bonded Turn	trans	-60.3	-26.7	-176	-54.2	0	0	0	0	113.6
474	S	53.5	Low	55.1	Low	44 Å²	44	22.8 Å²	22.8	31%	0.308	13%	0.129	S	C	.	.	T	Hydrogen-bonded Turn	trans	-93.2	-33.2	-169.5	59.8	0	0	0	0	114.8	N472 Q477	N472-S474 PolarHBondContact O-N 3.48Å; N472-S474 VanDerWaalsContact O-N 3.16Å; N472-S474 PolarHBondContact OD1-N 3.39Å; N472-S474 PolarHBondContact OD1-OG 2.72Å; S474-Q477 PolarHBondContact O-N 2.92Å
475	C	58	Low	54.4	Low	2 Å²	2	23.3 Å²	23.3	1%	0.014	13%	0.129	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64.8	-44	-176.3	44.2	0	0	0	0	112.3	F463 C464 N472 P479	F463-C475 WeakPolarHBondContact O-CB 3.5Å; C464-C475 HydrophobicContact CB-CB 3.91Å; C464-C475 WeakPolarHBondContact CB-SG 3.41Å; C464-C475 WeakPolarHBondContact SG-CB 3.44Å; C464-C475 CovalentContact SG-SG 2.04Å; C464-C475 PolarHBondContact SG-SG 3.48Å; N472-C475 WeakPolarHBondContact CB-SG 3.38Å; N472-C475 PolarHBondContact O-SG 3.5Å; C475-P479 VanDerWaalsContact O-CD 3.3Å; C475-P479 WeakPolarHBondContact O-CD 3.49Å
476	L	59.1	Low	54	Low	1 Å²	1	26.8 Å²	26.8	1%	0.005	14%	0.142	C	C	.	.	T	Hydrogen-bonded Turn	trans	-85.6	-11.8	-178	-72.9	169.5	0	0	0	113.7	V312 V460 F463 C464 S478 P479 Y480	V312-L476 HydrophobicContact CB-CB 3.67Å; V312-L476 HydrophobicContact CB-CD1 3.87Å; V312-L476 HydrophobicContact CB-CG 4.43Å; V312-L476 HydrophobicContact CG1-CB 3.8Å; V312-L476 HydrophobicContact CG1-CD1 3.54Å; V312-L476 HydrophobicContact CG1-CG 4.28Å; V312-L476 HydrophobicContact CG2-CB 3.77Å; V460-L476 HydrophobicContact CB-CD1 4.17Å; V460-L476 HydrophobicContact CG1-CD1 4.05Å; V460-L476 HydrophobicContact CG2-CD1 3.78Å; F463-L476 HydrophobicContact CB-CD2 3.51Å; F463-L476 HydrophobicContact CB-CG 4.45Å; F463-L476 HydrophobicContact CD2-CD2 3.97Å; F463-L476 HydrophobicContact CG-CD2 4.03Å; C464-L476 VanDerWaalsContact SG-CG 3.5Å; L476-S478 VanDerWaalsContact C-N 3.34Å; L476-S478 PolarHBondContact O-N 2.74Å; L476-P479 WeakPolarHBondContact O-CD 3.23Å; L476-Y480 HydrophobicContact CB-CD2 3.73Å; L476-Y480 HydrophobicContact CB-CE2 4.2Å; L476-Y480 HydrophobicContact CD1-CE2 4.45Å; L476-Y480 HydrophobicContact CD2-CD2 4.1Å; L476-Y480 HydrophobicContact CD2-CE2 3.87Å; L476-Y480 HydrophobicContact CG-CD2 4.37Å; L476-Y480 HydrophobicContact CG-CE2 4.37Å; L476-Y480 VanDerWaalsContact O-CB 3.22Å; L476-Y480 WeakPolarHBondContact O-CB 3.14Å; L476-Y480 VanDerWaalsContact O-CD2 3.23Å; L476-Y480 WeakPolarHBondContact O-CD2 3.09Å; L476-Y480 PolarHBondContact O-N 3.08Å
477	Q	58.7	Low	53.6	Low	40 Å²	40	24.1 Å²	24.1	19%	0.187	13%	0.13	C	C	.	.	H	α-helix	trans	-57.9	-46.3	-172.6	-168.8	177.1	-2.2	0	0	112.2	S474 Q481	S474-Q477 PolarHBondContact O-N 2.92Å; Q477-Q481 WeakPolarHBondContact O-CB 3.19Å; Q477-Q481 PolarHBondContact O-N 3.28Å
478	S	59.3	Low	53.1	Low	20 Å²	20	25.7 Å²	25.7	14%	0.14	14%	0.138	C	C	.	.	H	α-helix	trans	-74.3	-46.8	-178.8	-41.8	0	0	0	0	112.7	L476 Y480 Q481 Y482	L476-S478 VanDerWaalsContact C-N 3.34Å; L476-S478 PolarHBondContact O-N 2.74Å; S478-Y480 VanDerWaalsContact C-N 3.28Å; S478-Y480 PolarHBondContact O-N 2.85Å; S478-Q481 PolarHBondContact O-N 3.44Å; S478-Y482 PolarHBondContact O-N 3.1Å
479	P	57.9	Low	52.3	Low	1 Å²	1	27.8 Å²	27.8	1%	0.006	16%	0.157	C	C	.	.	H	α-helix	trans	-47.2	-50.9	168.9	-29.5	34.9	0	0	0	113.4	F430 F463 C475 L476 Y482 F483	F430-P479 VanDerWaalsContact CD2-CA 3.44Å; F430-P479 HydrophobicContact CD2-CB 3.95Å; F430-P479 HydrophobicContact CD2-CG 3.68Å; F430-P479 VanDerWaalsContact CE2-CA 3.46Å; F430-P479 HydrophobicContact CE2-CB 4.18Å; F430-P479 HydrophobicContact CE2-CG 4.4Å; F430-P479 HydrophobicContact CG-CG 4.41Å; F463-P479 HydrophobicContact CB-CG 4.3Å; F463-P479 HydrophobicContact CD1-CB 3.97Å; F463-P479 HydrophobicContact CD1-CG 3.31Å; F463-P479 HydrophobicContact CD2-CB 4.23Å; F463-P479 HydrophobicContact CD2-CG 4.33Å; F463-P479 HydrophobicContact CE1-CB 3.98Å; F463-P479 HydrophobicContact CE1-CG 3.65Å; F463-P479 HydrophobicContact CE2-CB 4.32Å; F463-P479 HydrophobicContact CG-CB 4.13Å; F463-P479 HydrophobicContact CG-CG 3.73Å; F463-P479 HydrophobicContact CZ-CB 4.21Å; F463-P479 HydrophobicContact CZ-CG 4.37Å; C475-P479 VanDerWaalsContact O-CD 3.3Å; C475-P479 WeakPolarHBondContact O-CD 3.49Å; L476-P479 WeakPolarHBondContact O-CD 3.23Å; P479-Y482 PolarHBondContact O-N 2.93Å; P479-F483 WeakPolarHBondContact O-CD2 3.35Å; P479-F483 PolarHBondContact O-N 3.17Å
480	Y	58.8	Low	51.7	Low	10 Å²	10	30.5 Å²	30.5	4%	0.039	17%	0.174	C	C	.	.	H	α-helix	trans	-65.6	-46.9	179.6	-89.5	-93.9	0	0	0	112.3	P201 V312 L476 S478 Y482 F483 F484 Y543	P201-Y480 HydrophobicContact CB-CE1 4.34Å; P201-Y480 HydrophobicContact CB-CE2 4.04Å; P201-Y480 WeakPolarHBondContact CB-OH 3.32Å; P201-Y480 HydrophobicContact CG-CE2 4.37Å; P201-Y480 WeakPolarHBondContact CG-OH 3.2Å; V312-Y480 HydrophobicContact CG1-CD1 4.41Å; V312-Y480 HydrophobicContact CG1-CD2 3.92Å; V312-Y480 HydrophobicContact CG1-CE1 4.4Å; V312-Y480 HydrophobicContact CG1-CE2 3.93Å; V312-Y480 HydrophobicContact CG1-CG 4.19Å; V312-Y480 HydrophobicContact CG2-CD2 4.46Å; V312-Y480 HydrophobicContact CG2-CG 4.36Å; L476-Y480 HydrophobicContact CB-CD2 3.73Å; L476-Y480 HydrophobicContact CB-CE2 4.2Å; L476-Y480 HydrophobicContact CD1-CE2 4.45Å; L476-Y480 HydrophobicContact CD2-CD2 4.1Å; L476-Y480 HydrophobicContact CD2-CE2 3.87Å; L476-Y480 HydrophobicContact CG-CD2 4.37Å; L476-Y480 HydrophobicContact CG-CE2 4.37Å; L476-Y480 VanDerWaalsContact O-CB 3.22Å; L476-Y480 WeakPolarHBondContact O-CB 3.14Å; L476-Y480 VanDerWaalsContact O-CD2 3.23Å; L476-Y480 WeakPolarHBondContact O-CD2 3.09Å; L476-Y480 PolarHBondContact O-N 3.08Å; S478-Y480 VanDerWaalsContact C-N 3.28Å; S478-Y480 PolarHBondContact O-N 2.85Å; Y480-Y482 PolarHBondContact O-N 2.72Å; Y480-F483 PolarHBondContact O-N 3Å; Y480-F484 HydrophobicContact CD1-CD2 4.39Å; Y480-F484 HydrophobicContact CD1-CE2 4.13Å; Y480-F484 WeakPolarHBondContact O-CB 3.47Å; Y480-F484 VanDerWaalsContact O-CD2 3.3Å; Y480-F484 WeakPolarHBondContact O-CD2 3.3Å; Y480-F484 PolarHBondContact O-N 3.16Å; Y480-Y543 HydrophobicContact CD1-CD2 4.08Å; Y480-Y543 AromaticContact CD1-CE2 3.15Å; Y480-Y543 HydrophobicContact CD1-CE2 3.15Å; Y480-Y543 AromaticContact CD1-CZ 3.52Å; Y480-Y543 VanDerWaalsContact CD1-OH 3.29Å; Y480-Y543 WeakPolarHBondContact CD1-OH 3.15Å; Y480-Y543 AromaticContact CE1-CD2 3.94Å; Y480-Y543 HydrophobicContact CE1-CD2 3.94Å; Y480-Y543 AromaticContact CE1-CE2 3.34Å; Y480-Y543 HydrophobicContact CE1-CE2 3.34Å; Y480-Y543 HydrophobicContact CG-CE2 4.22Å
481	Q	55.8	Low	50.8	Low	35 Å²	35	36.9 Å²	36.9	16%	0.164	20%	0.2	C	C	.	.	H	α-helix	trans	-57.6	-39.4	179.4	176.3	168.9	6.2	0	0	112	V395 F400 Q477 S478 E485	V395-Q481 HydrophobicContact CG1-CG 3.65Å; V395-Q481 VanDerWaalsContact CG1-NE2 3.28Å; F400-Q481 HydrophobicContact CD2-CB 4.01Å; F400-Q481 HydrophobicContact CD2-CG 3.59Å; F400-Q481 HydrophobicContact CE2-CB 3.76Å; F400-Q481 HydrophobicContact CE2-CG 3.62Å; F400-Q481 HydrophobicContact CZ-CB 4.39Å; Q477-Q481 WeakPolarHBondContact O-CB 3.19Å; Q477-Q481 PolarHBondContact O-N 3.28Å; S478-Q481 PolarHBondContact O-N 3.44Å; Q481-E485 PolarHBondContact O-N 3.33Å
482	Y	57.3	Low	50.2	Low	7 Å²	7	36.7 Å²	36.7	3%	0.027	20%	0.2	C	C	.	.	H	α-helix	trans	-64.7	-50.9	174.8	-179.8	-99.1	0	0	0	112.6	F349 L388 P389 I392 F430 S478 P479 Y480 F484 E485 K486	F349-Y482 HydrophobicContact CD1-CE1 4.35Å; F349-Y482 AromaticContact CE1-CE1 3.61Å; F349-Y482 HydrophobicContact CE1-CE1 3.61Å; F349-Y482 AromaticContact CE1-CZ 3.81Å; F349-Y482 WeakPolarHBondContact CE1-OH 3.16Å; F349-Y482 AromaticContact CZ-CE1 3.71Å; F349-Y482 HydrophobicContact CZ-CE1 3.71Å; L388-Y482 HydrophobicContact CD2-CD1 4.3Å; L388-Y482 HydrophobicContact CD2-CD2 3.54Å; L388-Y482 HydrophobicContact CD2-CE1 4.35Å; L388-Y482 HydrophobicContact CD2-CE2 3.61Å; L388-Y482 HydrophobicContact CD2-CG 3.89Å; P389-Y482 WeakPolarHBondContact CD-OH 3.34Å; P389-Y482 HydrophobicContact CG-CE2 4.18Å; P389-Y482 WeakPolarHBondContact CG-OH 3.45Å; I392-Y482 HydrophobicContact CD1-CD2 4.27Å; I392-Y482 HydrophobicContact CG1-CD2 4.37Å; F430-Y482 HydrophobicContact CE2-CD1 4.09Å; F430-Y482 HydrophobicContact CE2-CG 4.02Å; F430-Y482 AromaticContact CZ-CD1 3.73Å; F430-Y482 HydrophobicContact CZ-CD1 3.73Å; F430-Y482 HydrophobicContact CZ-CE1 4.26Å; F430-Y482 AromaticContact CZ-CG 3.97Å; F430-Y482 HydrophobicContact CZ-CG 3.97Å; S478-Y482 PolarHBondContact O-N 3.1Å; P479-Y482 PolarHBondContact O-N 2.93Å; Y480-Y482 PolarHBondContact O-N 2.72Å; Y482-F484 VanDerWaalsContact C-N 3.27Å; Y482-F484 PolarHBondContact O-N 2.78Å; Y482-E485 PolarHBondContact O-N 2.74Å; Y482-K486 HydrophobicContact CD2-CG 4.32Å; Y482-K486 HydrophobicContact CE2-CG 3.89Å; Y482-K486 PolarHBondContact O-N 2.56Å
483	F	56.1	Low	49.6	Very low	4 Å²	4	38.3 Å²	38.3	2%	0.018	21%	0.212	C	C	.	.	H	α-helix	trans	-57.2	-42.9	177.1	-73.7	-48.9	0	0	0	111.2	F379 F434 F459 P479 Y480 L487	F379-F483 HydrophobicContact CD2-CE1 4.03Å; F379-F483 HydrophobicContact CD2-CZ 4.29Å; F379-F483 HydrophobicContact CE1-CZ 4.49Å; F379-F483 HydrophobicContact CE2-CD1 4.2Å; F379-F483 AromaticContact CE2-CE1 3.21Å; F379-F483 HydrophobicContact CE2-CE1 3.21Å; F379-F483 AromaticContact CE2-CZ 3.67Å; F379-F483 HydrophobicContact CE2-CZ 3.67Å; F379-F483 AromaticContact CZ-CE1 3.6Å; F379-F483 HydrophobicContact CZ-CE1 3.6Å; F379-F483 AromaticContact CZ-CZ 3.75Å; F379-F483 HydrophobicContact CZ-CZ 3.75Å; F434-F483 AromaticContact CE1-CZ 3.97Å; F434-F483 HydrophobicContact CE1-CZ 3.97Å; F434-F483 HydrophobicContact CE2-CZ 4.44Å; F434-F483 HydrophobicContact CZ-CE1 4.02Å; F434-F483 HydrophobicContact CZ-CE2 4.12Å; F434-F483 AromaticContact CZ-CZ 3.4Å; F434-F483 HydrophobicContact CZ-CZ 3.4Å; F434-F483 VanDerWaalsContact CZ-CZ 3.4Å; F459-F483 HydrophobicContact CD1-CE2 4.22Å; F459-F483 AromaticContact CE1-CE2 3.62Å; F459-F483 HydrophobicContact CE1-CE2 3.62Å; F459-F483 AromaticContact CE1-CZ 3.72Å; F459-F483 HydrophobicContact CE1-CZ 3.72Å; F459-F483 HydrophobicContact CZ-CE2 4.47Å; F459-F483 HydrophobicContact CZ-CZ 4.32Å; P479-F483 WeakPolarHBondContact O-CD2 3.35Å; P479-F483 PolarHBondContact O-N 3.17Å; Y480-F483 PolarHBondContact O-N 3Å; F483-L487 HydrophobicContact CB-CD1 3.93Å; F483-L487 HydrophobicContact CD1-CD1 3.52Å; F483-L487 HydrophobicContact CE1-CD1 4.44Å; F483-L487 HydrophobicContact CG-CD1 4.1Å; F483-L487 WeakPolarHBondContact O-CA 3.4Å; F483-L487 WeakPolarHBondContact O-CB 3.3Å; F483-L487 PolarHBondContact O-N 2.97Å
484	F	48.9	Very low	49.3	Very low	15 Å²	15	44.5 Å²	44.5	7%	0.066	24%	0.237	C	C	.	.	I	π-helix	trans	-61	-52.9	175.8	-95.5	-89.7	0	0	0	113.1	F400 Y480 Y482 K486 I488 I540 Y543	F400-F484 HydrophobicContact CE2-CB 4.05Å; F400-F484 HydrophobicContact CZ-CB 3.79Å; F400-F484 HydrophobicContact CZ-CD1 4.36Å; F400-F484 HydrophobicContact CZ-CD2 4.1Å; F400-F484 AromaticContact CZ-CG 3.79Å; F400-F484 HydrophobicContact CZ-CG 3.79Å; Y480-F484 HydrophobicContact CD1-CD2 4.39Å; Y480-F484 HydrophobicContact CD1-CE2 4.13Å; Y480-F484 WeakPolarHBondContact O-CB 3.47Å; Y480-F484 VanDerWaalsContact O-CD2 3.3Å; Y480-F484 WeakPolarHBondContact O-CD2 3.3Å; Y480-F484 PolarHBondContact O-N 3.16Å; Y482-F484 VanDerWaalsContact C-N 3.27Å; Y482-F484 PolarHBondContact O-N 2.78Å; F484-K486 PolarHBondContact O-N 3.33Å; F484-I488 HydrophobicContact CD1-CD1 3.39Å; F484-I488 HydrophobicContact CE1-CD1 3.4Å; F484-I488 HydrophobicContact CG-CD1 4.19Å; F484-I488 HydrophobicContact CZ-CD1 4.21Å; F484-I488 WeakPolarHBondContact O-CB 3.18Å; F484-I488 PolarHBondContact O-N 3.48Å; F484-I540 HydrophobicContact CD1-CD1 4.29Å; F484-I540 HydrophobicContact CE1-CD1 4.23Å; F484-I540 HydrophobicContact CE1-CG2 4.01Å; F484-Y543 HydrophobicContact CD2-CE1 4.25Å; F484-Y543 HydrophobicContact CE1-CD1 4Å; F484-Y543 HydrophobicContact CE1-CE1 4.33Å; F484-Y543 AromaticContact CE2-CD1 3.46Å; F484-Y543 HydrophobicContact CE2-CD1 3.46Å; F484-Y543 VanDerWaalsContact CE2-CD1 3.46Å; F484-Y543 AromaticContact CE2-CD2 3.88Å; F484-Y543 HydrophobicContact CE2-CD2 3.88Å; F484-Y543 AromaticContact CE2-CE1 3.36Å; F484-Y543 HydrophobicContact CE2-CE1 3.36Å; F484-Y543 AromaticContact CE2-CE2 3.83Å; F484-Y543 HydrophobicContact CE2-CE2 3.83Å; F484-Y543 AromaticContact CE2-CG 3.64Å; F484-Y543 HydrophobicContact CE2-CG 3.64Å; F484-Y543 AromaticContact CE2-CZ 3.49Å; F484-Y543 VanDerWaalsContact CE2-CZ 3.49Å; F484-Y543 AromaticContact CZ-CD1 3.08Å; F484-Y543 HydrophobicContact CZ-CD1 3.08Å; F484-Y543 HydrophobicContact CZ-CD2 4.07Å; F484-Y543 AromaticContact CZ-CE1 3.45Å; F484-Y543 HydrophobicContact CZ-CE1 3.45Å; F484-Y543 VanDerWaalsContact CZ-CE1 3.45Å; F484-Y543 HydrophobicContact CZ-CE2 4.39Å; F484-Y543 AromaticContact CZ-CG 3.35Å; F484-Y543 HydrophobicContact CZ-CG 3.35Å
485	E	47.1	Very low	48.6	Very low	29 Å²	29	50.6 Å²	50.6	14%	0.136	26%	0.258	C	S	.	.	I	π-helix	trans	-66.5	-39.2	-177.5	-79.9	-154.2	176	0	0	112.2	V395 K396 L399 Q481 Y482 S489	V395-E485 VanDerWaalsContact CA-OE2 3.31Å; V395-E485 WeakPolarHBondContact CA-OE2 3.42Å; V395-E485 WeakPolarHBondContact CB-OE2 3.22Å; V395-E485 HydrophobicContact CG1-CG 3.87Å; V395-E485 VanDerWaalsContact CG1-OE1 3.22Å; V395-E485 WeakPolarHBondContact CG1-OE1 3.29Å; V395-E485 WeakPolarHBondContact CG1-OE2 3.23Å; K396-E485 PolarHBondContact N-OE1 3.03Å; L399-E485 HydrophobicContact CD1-CG 3.79Å; Q481-E485 PolarHBondContact O-N 3.33Å; Y482-E485 PolarHBondContact O-N 2.74Å; E485-S489 WeakPolarHBondContact O-CB 3.33Å; E485-S489 PolarHBondContact O-N 3.32Å; E485-S489 PolarHBondContact O-OG 3Å
486	K	49.2	Very low	47.6	Very low	82 Å²	82	54.5 Å²	54.5	36%	0.357	27%	0.273	S	S	.	.	I	π-helix	trans	-90.6	-38.6	-173.4	-69.7	-65.6	-174.4	178.4	0	113.9	F349 Y482 F484	F349-K486 HydrophobicContact CZ-CB 4.38Å; Y482-K486 HydrophobicContact CD2-CG 4.32Å; Y482-K486 HydrophobicContact CE2-CG 3.89Å; Y482-K486 PolarHBondContact O-N 2.56Å; F484-K486 PolarHBondContact O-N 3.33Å
487	L	46.1	Very low	46.8	Very low	11 Å²	11	58.5 Å²	58.5	6%	0.058	29%	0.292	C	S	.	.	I	π-helix	trans	-76.8	-40.2	179.5	-66.9	158.9	0	0	0	111	L337 F349 V351 F483 T490 F509	L337-L487 HydrophobicContact CD1-CD2 4.22Å; L337-L487 HydrophobicContact CD2-CD2 4.31Å; F349-L487 HydrophobicContact CD2-CD2 4.27Å; F349-L487 HydrophobicContact CE2-CD1 4.49Å; F349-L487 HydrophobicContact CE2-CD2 3.81Å; F349-L487 HydrophobicContact CE2-CG 4.03Å; V351-L487 HydrophobicContact CG2-CD1 4.28Å; V351-L487 HydrophobicContact CG2-CD2 4.02Å; F483-L487 HydrophobicContact CB-CD1 3.93Å; F483-L487 HydrophobicContact CD1-CD1 3.52Å; F483-L487 HydrophobicContact CE1-CD1 4.44Å; F483-L487 HydrophobicContact CG-CD1 4.1Å; F483-L487 WeakPolarHBondContact O-CA 3.4Å; F483-L487 WeakPolarHBondContact O-CB 3.3Å; F483-L487 PolarHBondContact O-N 2.97Å; L487-T490 PolarHBondContact O-OG1 2.97Å; L487-F509 HydrophobicContact CD1-CD2 4.35Å; L487-F509 HydrophobicContact CD1-CE2 3.56Å; L487-F509 HydrophobicContact CD1-CZ 3.77Å
488	I	41.6	Very low	45.9	Very low	35 Å²	35	63.5 Å²	63.5	18%	0.179	32%	0.315	C	S	.	.	I	π-helix	trans	-87.8	-25.8	-177	-57.7	169.4	0	0	0	112.7	F484 T490 K491 Y511	F484-I488 HydrophobicContact CD1-CD1 3.39Å; F484-I488 HydrophobicContact CE1-CD1 3.4Å; F484-I488 HydrophobicContact CG-CD1 4.19Å; F484-I488 HydrophobicContact CZ-CD1 4.21Å; F484-I488 WeakPolarHBondContact O-CB 3.18Å; F484-I488 PolarHBondContact O-N 3.48Å; I488-T490 CarbonylContact O-C 3.25Å; I488-T490 VanDerWaalsContact O-C 3.25Å; I488-T490 PolarHBondContact O-N 3.13Å; I488-K491 PolarHBondContact O-N 3.26Å; I488-Y511 HydrophobicContact CD1-CD1 3.75Å; I488-Y511 HydrophobicContact CD1-CE1 4.12Å; I488-Y511 HydrophobicContact CD1-CG 4.4Å; I488-Y511 HydrophobicContact CG1-CD1 4.46Å; I488-Y511 HydrophobicContact CG1-CE1 4.43Å; I488-Y511 HydrophobicContact CG2-CD1 4.44Å; I488-Y511 HydrophobicContact CG2-CE1 3.75Å
489	S	39.1	Very low	44.9	Very low	82 Å²	82	68.7 Å²	68.7	57%	0.573	34%	0.335	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.1	2	171.7	75.8	0	0	0	0	114	E485 K491	E485-S489 WeakPolarHBondContact O-CB 3.33Å; E485-S489 PolarHBondContact O-N 3.32Å; E485-S489 PolarHBondContact O-OG 3Å; S489-K491 PolarHBondContact O-N 3.37Å
490	T	37.6	Very low	44	Very low	59 Å²	59	70.9 Å²	70.9	36%	0.362	35%	0.345	S	S	.	.			trans	-63.8	61.3	145.1	65.1	0	0	0	0	109.6	L487 I488 G492	L487-T490 PolarHBondContact O-OG1 2.97Å; I488-T490 CarbonylContact O-C 3.25Å; I488-T490 VanDerWaalsContact O-C 3.25Å; I488-T490 PolarHBondContact O-N 3.13Å; T490-G492 PolarHBondContact O-N 2.79Å
491	K	35.7	Very low	43	Very low	175 Å²	175	78 Å²	78	76%	0.761	37%	0.371	S	S	*	.			trans	-51.3	101	149	-79.7	-171.8	169.1	-160.7	0	104	I488 S489 T493	I488-K491 PolarHBondContact O-N 3.26Å; S489-K491 PolarHBondContact O-N 3.37Å; K491-T493 PolarHBondContact O-N 3.33Å; K491-T493 VanDerWaalsContact O-N 3.17Å
492	G	36	Very low	42.2	Very low	23 Å²	23	84.5 Å²	84.5	24%	0.237	40%	0.399	C	S	.	.			trans	-45	131.5	167.3	0	0	0	0	0	105.7	T490	T490-G492 PolarHBondContact O-N 2.79Å
493	T	37.9	Very low	41.2	Very low	89 Å²	89	87.7 Å²	87.7	55%	0.546	41%	0.414	S	S	.	.			trans	-47.3	152	162.1	54.9	0	0	0	0	107.6	K491 K495 Y496 E497	K491-T493 PolarHBondContact O-N 3.33Å; K491-T493 VanDerWaalsContact O-N 3.17Å; T493-K495 CarbonylContact O-C 3.59Å; T493-K495 PolarHBondContact O-N 2.9Å; T493-Y496 WeakPolarHBondContact O-CA 3.37Å; T493-Y496 WeakPolarHBondContact O-CB 2.87Å; T493-Y496 PolarHBondContact O-N 3.3Å; T493-Y496 WeakPolarHBondContact OG1-CD2 3.48Å; T493-E497 PolarHBondContact O-N 2.78Å; T493-E497 VanDerWaalsContact O-N 3.1Å
494	E	42.1	Very low	40.1	Very low	170 Å²	170	88.8 Å²	88.8	79%	0.794	43%	0.427	S	S	*	.	H	α-helix	trans	-45.9	-33.3	-179.3	-82.7	177.9	141.7	0	0	112.7	Y496 E497 E498	E494-Y496 PolarHBondContact O-N 2.96Å; E494-E497 PolarHBondContact O-N 3.24Å; E494-E498 PolarHBondContact O-N 3.48Å
495	K	38.7	Very low	39.4	Very low	173 Å²	173	91.1 Å²	91.1	75%	0.752	44%	0.439	S	S	*	.	H	α-helix	trans	-60	-37.2	174.7	-159	178.6	-175.8	-176.7	0	114.2	T493	T493-K495 CarbonylContact O-C 3.59Å; T493-K495 PolarHBondContact O-N 2.9Å
496	Y	37.8	Very low	39	Very low	84 Å²	84	89.8 Å²	89.8	33%	0.329	43%	0.434	S	S	.	.	H	α-helix	trans	-76.4	-45.9	172	-86.5	-71.7	0	0	0	111.1	T493 E494 E498 K499 F500	T493-Y496 WeakPolarHBondContact O-CA 3.37Å; T493-Y496 WeakPolarHBondContact O-CB 2.87Å; T493-Y496 PolarHBondContact O-N 3.3Å; T493-Y496 WeakPolarHBondContact OG1-CD2 3.48Å; E494-Y496 PolarHBondContact O-N 2.96Å; Y496-E498 PolarHBondContact O-N 3.38Å; Y496-K499 PolarHBondContact O-N 2.7Å; Y496-F500 HydrophobicContact CD1-CD2 4.02Å; Y496-F500 AromaticContact CD1-CE2 3.28Å; Y496-F500 HydrophobicContact CD1-CE2 3.28Å; Y496-F500 AromaticContact CD1-CZ 3.96Å; Y496-F500 HydrophobicContact CD1-CZ 3.96Å; Y496-F500 HydrophobicContact CE1-CE2 4.13Å; Y496-F500 HydrophobicContact CE1-CZ 4.44Å; Y496-F500 HydrophobicContact CG-CD2 4.44Å; Y496-F500 AromaticContact CG-CE2 3.99Å; Y496-F500 HydrophobicContact CG-CE2 3.99Å; Y496-F500 WeakPolarHBondContact O-CB 3.24Å; Y496-F500 WeakPolarHBondContact O-CD2 3.32Å; Y496-F500 WeakPolarHBondContact O-CG 2.87Å; Y496-F500 PolarHBondContact O-N 3.45Å
497	E	40.3	Very low	38.9	Very low	85 Å²	85	87.6 Å²	87.6	40%	0.397	43%	0.425	S	S	.	.	H	α-helix	trans	-54.3	-38.6	177.5	-81.7	-166.7	-168.5	0	0	112.4	T493 E494 F500 R501	T493-E497 PolarHBondContact O-N 2.78Å; T493-E497 VanDerWaalsContact O-N 3.1Å; E494-E497 PolarHBondContact O-N 3.24Å; E497-F500 PolarHBondContact O-N 3.21Å; E497-R501 WeakPolarHBondContact O-CA 3.04Å; E497-R501 VanDerWaalsContact O-CB 3.23Å; E497-R501 WeakPolarHBondContact O-CB 3.19Å; E497-R501 WeakPolarHBondContact O-CG 3.16Å; E497-R501 PolarHBondContact O-N 2.85Å; E497-R501 IonicContact OE2-NH2 3.16Å; E497-R501 PolarHBondContact OE2-NH2 2.9Å; E497-R501 VanDerWaalsContact OE2-NH2 3.16Å
498	E	41.7	Very low	39.2	Very low	145 Å²	145	87.1 Å²	87.1	68%	0.678	42%	0.423	S	S	*	.	H	α-helix	trans	-72.5	-45.9	-179.8	-166.5	176.8	-168.1	0	0	112.7	E494 Y496 F500 R501 K502	E494-E498 PolarHBondContact O-N 3.48Å; Y496-E498 PolarHBondContact O-N 3.38Å; E498-F500 PolarHBondContact O-N 2.94Å; E498-R501 PolarHBondContact O-N 3.23Å; E498-K502 PolarHBondContact O-N 3.16Å; E498-K502 VanDerWaalsContact O-N 3.16Å
499	K	37	Very low	39.5	Very low	129 Å²	129	86.3 Å²	86.3	56%	0.561	42%	0.418	S	S	*	.	H	α-helix	trans	-56	-41.6	171.8	-107.5	-173.4	173.6	-169.1	0	110.5	Y496 H503	Y496-K499 PolarHBondContact O-N 2.7Å; K499-H503 PolarHBondContact O-CD2 2.84Å; K499-H503 PolarHBondContact O-N 2.87Å
500	F	38.9	Very low	39.9	Very low	47 Å²	47	84.9 Å²	84.9	21%	0.206	40%	0.404	C	S	.	.	H	α-helix	trans	-81.5	-32.4	-176.7	-78.5	-49.7	0	0	0	114.4	L336 Y496 E497 E498 K502 H503 G504 L505	L336-F500 HydrophobicContact CD2-CE1 4.27Å; Y496-F500 HydrophobicContact CD1-CD2 4.02Å; Y496-F500 AromaticContact CD1-CE2 3.28Å; Y496-F500 HydrophobicContact CD1-CE2 3.28Å; Y496-F500 AromaticContact CD1-CZ 3.96Å; Y496-F500 HydrophobicContact CD1-CZ 3.96Å; Y496-F500 HydrophobicContact CE1-CE2 4.13Å; Y496-F500 HydrophobicContact CE1-CZ 4.44Å; Y496-F500 HydrophobicContact CG-CD2 4.44Å; Y496-F500 AromaticContact CG-CE2 3.99Å; Y496-F500 HydrophobicContact CG-CE2 3.99Å; Y496-F500 WeakPolarHBondContact O-CB 3.24Å; Y496-F500 WeakPolarHBondContact O-CD2 3.32Å; Y496-F500 WeakPolarHBondContact O-CG 2.87Å; Y496-F500 PolarHBondContact O-N 3.45Å; E497-F500 PolarHBondContact O-N 3.21Å; E498-F500 PolarHBondContact O-N 2.94Å; F500-K502 PolarHBondContact O-N 3.46Å; F500-H503 PolarHBondContact O-N 2.84Å; F500-G504 WeakPolarHBondContact O-CA 3.48Å; F500-G504 PolarHBondContact O-N 3.21Å; F500-L505 HydrophobicContact CB-CD1 4.07Å; F500-L505 HydrophobicContact CB-CD2 4.11Å; F500-L505 HydrophobicContact CB-CG 3.76Å; F500-L505 HydrophobicContact CD1-CD2 3.8Å; F500-L505 HydrophobicContact CD1-CG 4.18Å; F500-L505 HydrophobicContact CD2-CD2 4.11Å; F500-L505 HydrophobicContact CE1-CD2 4.27Å; F500-L505 HydrophobicContact CG-CD2 3.75Å; F500-L505 HydrophobicContact CG-CG 3.98Å; F500-L505 PolarHBondContact O-N 3.31Å
501	R	39.2	Very low	40.2	Very low	159 Å²	159	85 Å²	85	60%	0.6	40%	0.398	S	S	*	.	H	α-helix	trans	-59.1	-40.6	169	-93.5	-173.5	-157	154.5	15.2	110.6	E497 E498 H503	E497-R501 WeakPolarHBondContact O-CA 3.04Å; E497-R501 VanDerWaalsContact O-CB 3.23Å; E497-R501 WeakPolarHBondContact O-CB 3.19Å; E497-R501 WeakPolarHBondContact O-CG 3.16Å; E497-R501 PolarHBondContact O-N 2.85Å; E497-R501 IonicContact OE2-NH2 3.16Å; E497-R501 PolarHBondContact OE2-NH2 2.9Å; E497-R501 VanDerWaalsContact OE2-NH2 3.16Å; E498-R501 PolarHBondContact O-N 3.23Å; R501-H503 VanDerWaalsContact C-N 3.27Å; R501-H503 PolarHBondContact O-N 3.46Å
502	K	38.4	Very low	40.4	Very low	172 Å²	172	77.2 Å²	77.2	75%	0.748	37%	0.365	S	S	*	.	H	α-helix	trans	-69	-27.4	-179.7	-163.4	175	-177.7	176.8	0	112.8	E498 F500	E498-K502 PolarHBondContact O-N 3.16Å; E498-K502 VanDerWaalsContact O-N 3.16Å; F500-K502 PolarHBondContact O-N 3.46Å
503	H	36.2	Very low	40.5	Very low	74 Å²	74	76.3 Å²	76.3	34%	0.343	36%	0.355	S	S	.	.	H	α-helix	trans	-109.9	-7.2	-173.7	-66.2	-51.7	0	0	0	114.6	L329 K499 F500 R501	L329-H503 VanDerWaalsContact CD2-O 3.32Å; L329-H503 WeakPolarHBondContact CD2-O 3.36Å; K499-H503 PolarHBondContact O-CD2 2.84Å; K499-H503 PolarHBondContact O-N 2.87Å; F500-H503 PolarHBondContact O-N 2.84Å; R501-H503 VanDerWaalsContact C-N 3.27Å; R501-H503 PolarHBondContact O-N 3.46Å
504	G	33.4	Very low	40.3	Very low	27 Å²	27	73.7 Å²	73.7	28%	0.278	34%	0.336	S	S	.	.			trans	67.4	101.9	-173.8	0	0	0	0	0	110.2	L329 F500 A506	L329-G504 WeakPolarHBondContact CD2-O 3.45Å; F500-G504 WeakPolarHBondContact O-CA 3.48Å; F500-G504 PolarHBondContact O-N 3.21Å; G504-A506 PolarHBondContact O-N 2.74Å; G504-A506 VanDerWaalsContact O-N 3.13Å
505	L	32.9	Very low	40	Very low	63 Å²	63	68.3 Å²	68.3	33%	0.33	32%	0.317	S	S	.	.			trans	-49.1	124.8	171.6	-83.2	146	0	0	0	111.1	F500 I507	F500-L505 HydrophobicContact CB-CD1 4.07Å; F500-L505 HydrophobicContact CB-CD2 4.11Å; F500-L505 HydrophobicContact CB-CG 3.76Å; F500-L505 HydrophobicContact CD1-CD2 3.8Å; F500-L505 HydrophobicContact CD1-CG 4.18Å; F500-L505 HydrophobicContact CD2-CD2 4.11Å; F500-L505 HydrophobicContact CE1-CD2 4.27Å; F500-L505 HydrophobicContact CG-CD2 3.75Å; F500-L505 HydrophobicContact CG-CG 3.98Å; F500-L505 PolarHBondContact O-N 3.31Å; L505-I507 VanDerWaalsContact C-N 3.35Å; L505-I507 HydrophobicContact CB-CD1 4.34Å; L505-I507 HydrophobicContact CB-CG1 3.56Å; L505-I507 HydrophobicContact CD1-CD1 4.32Å; L505-I507 HydrophobicContact CD1-CG1 4.28Å; L505-I507 HydrophobicContact CD2-CG1 4.13Å; L505-I507 HydrophobicContact CG-CG1 4.16Å; L505-I507 PolarHBondContact O-N 3.47Å
506	A	39.9	Very low	39.9	Very low	2 Å²	2	67 Å²	67	2%	0.017	31%	0.311	C	S	.	.			trans	-84.7	84.6	149.3	0	0	0	0	0	106.6	L329 L336 M353 G504 C508 Y548	L329-A506 HydrophobicContact CD1-CB 4.03Å; L336-A506 HydrophobicContact CD1-CB 4.32Å; L336-A506 WeakPolarHBondContact CD1-O 3.39Å; M353-A506 HydrophobicContact CE-CB 4.17Å; M353-A506 HydrophobicContact SD-CB 3.77Å; G504-A506 PolarHBondContact O-N 2.74Å; G504-A506 VanDerWaalsContact O-N 3.13Å; A506-C508 PolarHBondContact O-N 2.8Å; A506-Y548 HydrophobicContact CB-CD1 4.05Å; A506-Y548 HydrophobicContact CB-CD2 4.17Å; A506-Y548 HydrophobicContact CB-CE1 3.74Å; A506-Y548 HydrophobicContact CB-CE2 3.87Å; A506-Y548 HydrophobicContact CB-CG 4.28Å
507	I	47.3	Very low	39.7	Very low	36 Å²	36	68.4 Å²	68.4	19%	0.185	32%	0.324	C	S	.	.			trans	-76.1	111.1	172.5	-43.8	179.9	0	0	0	105.5	L505 F509 D510 Y511 Y548	L505-I507 VanDerWaalsContact C-N 3.35Å; L505-I507 HydrophobicContact CB-CD1 4.34Å; L505-I507 HydrophobicContact CB-CG1 3.56Å; L505-I507 HydrophobicContact CD1-CD1 4.32Å; L505-I507 HydrophobicContact CD1-CG1 4.28Å; L505-I507 HydrophobicContact CD2-CG1 4.13Å; L505-I507 HydrophobicContact CG-CG1 4.16Å; L505-I507 PolarHBondContact O-N 3.47Å; I507-F509 VanDerWaalsContact CB-O 3.25Å; I507-F509 WeakPolarHBondContact CB-O 3.09Å; I507-F509 HydrophobicContact CG2-CB 4.31Å; I507-F509 WeakPolarHBondContact CG2-O 3.5Å; I507-F509 CarbonylContact O-C 3.52Å; I507-F509 WeakPolarHBondContact O-CA 3.25Å; I507-F509 PolarHBondContact O-N 2.97Å; I507-D510 PolarHBondContact O-N 2.96Å; I507-Y511 HydrophobicContact CD1-CD1 4.41Å; I507-Y511 HydrophobicContact CD1-CE1 3.88Å; I507-Y548 PolarHBondContact O-OH 3.47Å
508	C	50.7	Low	39.4	Very low	1 Å²	1	68.5 Å²	68.5	1%	0.007	32%	0.324	C	S	.	.	S	Bend	trans	-48.1	-12.5	172.3	-66.7	0	0	0	0	113.9	L337 V351 C377 L454 A506 G545 G546 Y548	L337-C508 HydrophobicContact CD1-CB 4.37Å; V351-C508 HydrophobicContact CG1-CB 3.8Å; C377-C508 HydrophobicContact CB-CB 3.47Å; C377-C508 VanDerWaalsContact CB-CB 3.47Å; C377-C508 WeakPolarHBondContact CB-SG 3.33Å; C377-C508 WeakPolarHBondContact SG-CA 3.48Å; C377-C508 WeakPolarHBondContact SG-CB 3.14Å; C377-C508 CovalentContact SG-SG 2.02Å; C377-C508 PolarHBondContact SG-SG 3.18Å; L454-C508 HydrophobicContact CD1-CB 3.8Å; A506-C508 PolarHBondContact O-N 2.8Å; C508-G545 CarbonylContact O-C 3.47Å; C508-G545 WeakPolarHBondContact O-CA 3.27Å; C508-G546 PolarHBondContact O-N 2.9Å; C508-G546 VanDerWaalsContact O-N 3.15Å; C508-Y548 PolarHBondContact N-OH 3.11Å
509	F	49.6	Very low	39	Very low	18 Å²	18	64.1 Å²	64.1	8%	0.079	31%	0.309	C	S	.	.	S	Bend	trans	-120.9	97.8	162.7	-58.1	-88.9	0	0	0	109	V351 L454 L487 I507	V351-F509 HydrophobicContact CG2-CE2 4.32Å; L454-F509 HydrophobicContact CD1-CE1 4.46Å; L454-F509 HydrophobicContact CD1-CE2 3.8Å; L454-F509 HydrophobicContact CD1-CZ 3.7Å; L454-F509 HydrophobicContact CD2-CE1 4.13Å; L454-F509 HydrophobicContact CD2-CE2 4.44Å; L454-F509 HydrophobicContact CD2-CZ 3.59Å; L454-F509 HydrophobicContact CG-CZ 4.36Å; L487-F509 HydrophobicContact CD1-CD2 4.35Å; L487-F509 HydrophobicContact CD1-CE2 3.56Å; L487-F509 HydrophobicContact CD1-CZ 3.77Å; I507-F509 VanDerWaalsContact CB-O 3.25Å; I507-F509 WeakPolarHBondContact CB-O 3.09Å; I507-F509 HydrophobicContact CG2-CB 4.31Å; I507-F509 WeakPolarHBondContact CG2-O 3.5Å; I507-F509 CarbonylContact O-C 3.52Å; I507-F509 WeakPolarHBondContact O-CA 3.25Å; I507-F509 PolarHBondContact O-N 2.97Å
510	D	47.5	Very low	38.8	Very low	51 Å²	51	63 Å²	63	27%	0.273	31%	0.309	S	S	.	.			trans	-73.9	135.5	169.1	-136.2	-20.2	0	0	0	107.5	Y238 I507 Y543 A544	Y238-D510 PolarHBondContact OH-OD1 3.14Å; I507-D510 PolarHBondContact O-N 2.96Å; D510-Y543 WeakPolarHBondContact O-CA 3.2Å; D510-Y543 WeakPolarHBondContact O-CB 2.73Å; D510-A544 WeakPolarHBondContact CB-O 3.18Å; D510-A544 PolarHBondContact O-N 2.68Å
511	Y	44	Very low	38.4	Very low	63 Å²	63	64.9 Å²	64.9	25%	0.247	33%	0.328	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.4	142.1	179.1	67.4	-94.1	0	0	0	110.8	Y238 I488 I507 I540 T542	Y238-Y511 WeakPolarHBondContact CD2-O 3.36Å; Y238-Y511 WeakPolarHBondContact CE2-O 2.87Å; I488-Y511 HydrophobicContact CD1-CD1 3.75Å; I488-Y511 HydrophobicContact CD1-CE1 4.12Å; I488-Y511 HydrophobicContact CD1-CG 4.4Å; I488-Y511 HydrophobicContact CG1-CD1 4.46Å; I488-Y511 HydrophobicContact CG1-CE1 4.43Å; I488-Y511 HydrophobicContact CG2-CD1 4.44Å; I488-Y511 HydrophobicContact CG2-CE1 3.75Å; I507-Y511 HydrophobicContact CD1-CD1 4.41Å; I507-Y511 HydrophobicContact CD1-CE1 3.88Å; Y511-I540 HydrophobicContact CD2-CD1 3.89Å; Y511-I540 HydrophobicContact CD2-CG1 4.04Å; Y511-I540 HydrophobicContact CD2-CG2 4.32Å; Y511-I540 HydrophobicContact CE2-CD1 4.3Å; Y511-I540 HydrophobicContact CG-CD1 4.39Å; Y511-I540 HydrophobicContact CG-CG2 4.45Å; Y511-T542 WeakPolarHBondContact CA-O 3.1Å
512	T	39.3	Very low	38	Very low	10 Å²	10	63.4 Å²	63.4	6%	0.061	33%	0.331	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.2	115.1	170	57.4	0	0	0	0	109.5	Y230 Y238 I540 F541 T542	Y230-T512 HydrophobicContact CD1-CG2 4.05Å; Y230-T512 HydrophobicContact CD2-CG2 4.24Å; Y230-T512 HydrophobicContact CE1-CG2 3.93Å; Y230-T512 HydrophobicContact CE2-CG2 4.13Å; Y230-T512 HydrophobicContact CG-CG2 4.22Å; Y238-T512 HydrophobicContact CD2-CG2 4.45Å; Y238-T512 HydrophobicContact CG-CG2 4.39Å; T512-I540 CarbonylContact O-C 3.53Å; T512-I540 WeakPolarHBondContact O-CA 2.94Å; T512-F541 PolarHBondContact O-N 3Å; T512-T542 PolarHBondContact N-O 2.6Å; T512-T542 PolarHBondContact OG1-N 3.03Å; T512-T542 PolarHBondContact OG1-O 3.16Å; T512-T542 PolarHBondContact OG1-OG1 3.01Å
513	S	37.9	Very low	37.6	Very low	5 Å²	5	62.4 Å²	62.4	4%	0.035	32%	0.323	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.3	125.4	169.1	62.8	0	0	0	0	110.3	N237	N237-S513 PolarHBondContact OD1-OG 3.37Å
514	Y	34.2	Very low	37.2	Very low	34 Å²	34	61.8 Å²	61.8	13%	0.133	34%	0.336	C	S	.	.	P	Polyproline II helix	trans	-84.4	127.4	175.8	-75.4	-123.5	0	0	0	109.4	H240 F518 S538 S539 F541	H240-Y514 HydrophobicContact CB-CE1 3.89Å; H240-Y514 PolarHBondContact CD2-OH 3.11Å; H240-Y514 VanDerWaalsContact CD2-OH 3.28Å; Y514-F518 HydrophobicContact CD1-CB 4.46Å; Y514-F518 HydrophobicContact CD1-CD2 4.08Å; Y514-F518 HydrophobicContact CD1-CE2 4.47Å; Y514-F518 HydrophobicContact CD1-CG 4.09Å; Y514-F518 HydrophobicContact CE1-CD2 4.44Å; Y514-F518 HydrophobicContact CE1-CE2 4.38Å; Y514-S538 WeakPolarHBondContact O-CA 3.4Å; Y514-S538 WeakPolarHBondContact O-CB 3.37Å; Y514-S539 PolarHBondContact N-O 3.19Å; Y514-F541 HydrophobicContact CD1-CD2 4.46Å; Y514-F541 HydrophobicContact CD1-CE2 4.32Å; Y514-F541 HydrophobicContact CD2-CB 4.03Å; Y514-F541 AromaticContact CD2-CD2 2.95Å; Y514-F541 HydrophobicContact CD2-CD2 2.95Å; Y514-F541 AromaticContact CD2-CE2 3.5Å; Y514-F541 HydrophobicContact CD2-CE2 3.5Å; Y514-F541 AromaticContact CD2-CG 3.68Å; Y514-F541 HydrophobicContact CD2-CG 3.68Å; Y514-F541 HydrophobicContact CE2-CB 3.57Å; Y514-F541 HydrophobicContact CE2-CD1 4.47Å; Y514-F541 AromaticContact CE2-CD2 3.32Å; Y514-F541 HydrophobicContact CE2-CD2 3.32Å; Y514-F541 HydrophobicContact CE2-CE2 4.07Å; Y514-F541 AromaticContact CE2-CG 3.51Å; Y514-F541 HydrophobicContact CE2-CG 3.51Å; Y514-F541 AromaticContact CG-CD2 3.57Å; Y514-F541 HydrophobicContact CG-CD2 3.57Å; Y514-F541 AromaticContact CG-CE2 3.58Å; Y514-F541 HydrophobicContact CG-CE2 3.58Å
515	S	35.8	Very low	37.3	Very low	56 Å²	56	71.3 Å²	71.3	39%	0.392	36%	0.364	S	S	.	.	P	Polyproline II helix	trans	-60.1	144.8	170.5	164.2	0	0	0	0	111.3	N517 F518	S515-N517 PolarHBondContact O-N 2.88Å; S515-F518 PolarHBondContact O-N 3.09Å; S515-F518 VanDerWaalsContact O-N 3.12Å
516	K	34.8	Very low	37.3	Very low	146 Å²	146	75.3 Å²	75.3	64%	0.635	39%	0.386	S	S	*	.	T	Hydrogen-bonded Turn	trans	-45.7	-28.4	-179.9	-142.9	178.6	-174.5	-178.2	0	114.2	F518 S519	K516-F518 PolarHBondContact O-N 3.46Å; K516-S519 PolarHBondContact O-N 3.03Å; K516-S519 PolarHBondContact O-OG 2.66Å
517	N	34.6	Very low	36.9	Very low	114 Å²	114	83.9 Å²	83.9	61%	0.61	43%	0.425	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.3	-13.2	-174.9	-68	-1.5	0	0	0	113.7	S515 S519 D520	S515-N517 PolarHBondContact O-N 2.88Å; N517-S519 PolarHBondContact O-N 2.9Å; N517-D520 PolarHBondContact O-N 3.04Å
518	F	34.2	Very low	36.4	Very low	87 Å²	87	92.1 Å²	92.1	38%	0.382	45%	0.454	S	S	.	.	H	α-helix	trans	-65.4	-23.6	174.5	-148.9	-91.2	0	0	0	112.2	V242 Y514 S515 K516 D520 S521 L522	V242-F518 HydrophobicContact CG2-CE2 4.42Å; Y514-F518 HydrophobicContact CD1-CB 4.46Å; Y514-F518 HydrophobicContact CD1-CD2 4.08Å; Y514-F518 HydrophobicContact CD1-CE2 4.47Å; Y514-F518 HydrophobicContact CD1-CG 4.09Å; Y514-F518 HydrophobicContact CE1-CD2 4.44Å; Y514-F518 HydrophobicContact CE1-CE2 4.38Å; S515-F518 PolarHBondContact O-N 3.09Å; S515-F518 VanDerWaalsContact O-N 3.12Å; K516-F518 PolarHBondContact O-N 3.46Å; F518-D520 VanDerWaalsContact C-N 3.32Å; F518-S521 PolarHBondContact O-OG 2.93Å; F518-L522 HydrophobicContact CD1-CD1 3.93Å; F518-L522 HydrophobicContact CE1-CD1 3.85Å; F518-L522 HydrophobicContact CE1-CG 4.46Å; F518-L522 PolarHBondContact O-N 3.32Å
519	S	33.6	Very low	35.9	Very low	52 Å²	52	100.6 Å²	100.6	36%	0.364	50%	0.499	S	S	.	.	H	α-helix	trans	-70.7	-26.4	173.1	71.8	0	0	0	0	113.1	K516 N517 R523	K516-S519 PolarHBondContact O-N 3.03Å; K516-S519 PolarHBondContact O-OG 2.66Å; N517-S519 PolarHBondContact O-N 2.9Å; S519-R523 VanDerWaalsContact O-CB 3.23Å; S519-R523 WeakPolarHBondContact O-CB 2.95Å; S519-R523 WeakPolarHBondContact O-CD 3.34Å; S519-R523 WeakPolarHBondContact O-CG 3.16Å; S519-R523 PolarHBondContact O-N 3.06Å; S519-R523 VanDerWaalsContact O-N 3.11Å
520	D	32.4	Very low	35.1	Very low	107 Å²	107	108.3 Å²	108.3	57%	0.572	53%	0.527	S	S	*	.	H	α-helix	trans	-77.1	-30.6	-179.6	-81	-17.9	0	0	0	112.2	N517 F518 R523	N517-D520 PolarHBondContact O-N 3.04Å; F518-D520 VanDerWaalsContact C-N 3.32Å; D520-R523 PolarHBondContact O-N 3.25Å
521	S	31.2	Very low	34.2	Very low	85 Å²	85	111.3 Å²	111.3	59%	0.594	55%	0.549	S	S	*	.	H	α-helix	trans	-74.1	-35.9	175.7	61.5	0	0	0	0	112.8	F518 R523	F518-S521 PolarHBondContact O-OG 2.93Å; S521-R523 VanDerWaalsContact C-N 3.32Å
522	L	29.8	Very low	33.7	Very low	129 Å²	129	117.4 Å²	117.4	68%	0.675	58%	0.577	S	S	*	*	H	α-helix	trans	-77	-18.2	174.1	-79.1	165.7	0	0	0	113.2	F518 G524	F518-L522 HydrophobicContact CD1-CD1 3.93Å; F518-L522 HydrophobicContact CE1-CD1 3.85Å; F518-L522 HydrophobicContact CE1-CG 4.46Å; F518-L522 PolarHBondContact O-N 3.32Å; L522-G524 PolarHBondContact O-N 3.3Å
523	R	30.2	Very low	33.2	Very low	151 Å²	151	123.7 Å²	123.7	57%	0.57	61%	0.606	S	S	*	*	T	Hydrogen-bonded Turn	trans	-77.7	11.4	176.9	-85.9	176.1	-180	-175	1.1	114.9	S519 D520 S521 R525	S519-R523 VanDerWaalsContact O-CB 3.23Å; S519-R523 WeakPolarHBondContact O-CB 2.95Å; S519-R523 WeakPolarHBondContact O-CD 3.34Å; S519-R523 WeakPolarHBondContact O-CG 3.16Å; S519-R523 PolarHBondContact O-N 3.06Å; S519-R523 VanDerWaalsContact O-N 3.11Å; D520-R523 PolarHBondContact O-N 3.25Å; S521-R523 VanDerWaalsContact C-N 3.32Å; R523-R525 PolarHBondContact O-N 3.12Å
524	G	28.8	Very low	32.7	Very low	60 Å²	60	128.9 Å²	128.9	62%	0.619	64%	0.637	S	S	*	*	T	Hydrogen-bonded Turn	trans	-60.8	5.5	178.6	0	0	0	0	0	116.8	L522	L522-G524 PolarHBondContact O-N 3.3Å
525	R	33.7	Very low	32.4	Very low	227 Å²	227	135.8 Å²	135.8	86%	0.857	66%	0.664	S	S	*	*	T	Hydrogen-bonded Turn	trans	-160.7	23.8	178.3	-121.4	177.1	-82.4	-171.4	-1.6	120.9	R523	R523-R525 PolarHBondContact O-N 3.12Å
526	D	33.4	Very low	32.3	Very low	148 Å²	148	137.4 Å²	137.4	79%	0.791	67%	0.668	S	S	*	*			trans	-113.2	103.9	168.4	-149.1	-10.6	0	0	0	113.3	R528	D526-R528 PolarHBondContact O-N 3.01Å
527	H	30.9	Very low	32.1	Very low	181 Å²	181	137.4 Å²	137.4	84%	0.838	67%	0.668	S	S	*	*			trans	-87.1	25.8	-163.5	-97.3	-58.8	0	0	0	115.2
528	R	38.4	Very low	32	Very low	210 Å²	210	134.7 Å²	134.7	79%	0.792	66%	0.658	S	S	*	*	S	Bend	trans	-135.9	89.2	-171.5	-63	-173.1	-168.7	-172.7	4.6	114.1	D526 R530	D526-R528 PolarHBondContact O-N 3.01Å; R528-R530 PolarHBondContact O-N 2.69Å
529	N	38.6	Very low	32.1	Very low	178 Å²	178	132.5 Å²	132.5	95%	0.952	65%	0.653	S	S	*	*			trans	31.2	34.5	136.9	-82.5	-5.3	0	0	0	119.4
530	R	33.5	Very low	32.3	Very low	181 Å²	181	132.3 Å²	132.3	68%	0.683	65%	0.648	S	S	*	*			trans	-87.9	139.4	169.8	-75.2	-166.1	177.4	-162.5	-1	110.2	R528 K532	R528-R530 PolarHBondContact O-N 2.69Å; R530-K532 PolarHBondContact O-N 3.45Å
531	P	29.2	Very low	32.7	Very low	113 Å²	113	128.1 Å²	128.1	73%	0.734	63%	0.625	S	S	*	*			trans	-54.3	141.9	-178.6	-21.1	32.2	0	0	0	109.9	E533	P531-E533 PolarHBondContact O-N 2.79Å
532	K	32.5	Very low	33.2	Very low	191 Å²	191	124.9 Å²	124.9	83%	0.83	60%	0.601	S	S	*	*			trans	-63	68	169.3	-66.9	176	178.3	177.8	0	109.1	R530 V534	R530-K532 PolarHBondContact O-N 3.45Å; K532-V534 PolarHBondContact O-N 3.16Å; K532-V534 VanDerWaalsContact O-N 3.07Å
533	E	29.5	Very low	34.3	Very low	143 Å²	143	119.1 Å²	119.1	67%	0.668	57%	0.571	S	S	*	*			trans	-61.2	117	160.5	-82.6	-176.2	172.4	0	0	105.8	P531 Y535	P531-E533 PolarHBondContact O-N 2.79Å; E533-Y535 HydrophobicContact CB-CE2 4.41Å; E533-Y535 WeakPolarHBondContact O-CD2 3.31Å; E533-Y535 PolarHBondContact O-N 3.5Å
534	V	27	Very low	35.1	Very low	113 Å²	113	112.2 Å²	112.2	69%	0.685	55%	0.546	S	S	*	.			trans	-65.9	85.4	-169.7	178.8	0	0	0	0	106.9	K532 L536	K532-V534 PolarHBondContact O-N 3.16Å; K532-V534 VanDerWaalsContact O-N 3.07Å; V534-L536 VanDerWaalsContact C-N 3.35Å; V534-L536 PolarHBondContact O-N 2.77Å
535	Y	29.3	Very low	36.3	Very low	180 Å²	180	109.8 Å²	109.8	71%	0.706	52%	0.52	S	S	*	.			trans	-64.4	107.4	169	-77	-82	0	0	0	107	E533	E533-Y535 HydrophobicContact CB-CE2 4.41Å; E533-Y535 WeakPolarHBondContact O-CD2 3.31Å; E533-Y535 PolarHBondContact O-N 3.5Å
536	L	32.3	Very low	37.6	Very low	90 Å²	90	99 Å²	99	47%	0.471	48%	0.479	S	S	.	.			trans	-58.2	145.2	-172.6	-72.2	116.6	0	0	0	110.4	N398 V534	N398-L536 HydrophobicContact CB-CD1 4.28Å; N398-L536 HydrophobicContact CB-CD2 4.46Å; V534-L536 VanDerWaalsContact C-N 3.35Å; V534-L536 PolarHBondContact O-N 2.77Å
537	K	31.5	Very low	39	Very low	146 Å²	146	92.5 Å²	92.5	64%	0.635	44%	0.444	S	S	*	.	S	Bend	trans	38.3	130.2	151.5	-66	179.9	176.8	-180	0	117.7	S539	K537-S539 PolarHBondContact O-N 3.49Å
538	S	32.5	Very low	40.7	Very low	56 Å²	56	84.3 Å²	84.3	39%	0.392	41%	0.406	S	S	.	.			trans	-24.1	109	167.1	48.3	0	0	0	0	113.1	Y514 I540	Y514-S538 WeakPolarHBondContact O-CA 3.4Å; Y514-S538 WeakPolarHBondContact O-CB 3.37Å; S538-I540 PolarHBondContact O-N 3.19Å
539	S	36.1	Very low	41.9	Very low	42 Å²	42	76.3 Å²	76.3	29%	0.294	38%	0.378	S	S	.	.			trans	-71.9	132	-179.9	-50.5	0	0	0	0	107.8	Y514 K537 F541	Y514-S539 PolarHBondContact N-O 3.19Å; K537-S539 PolarHBondContact O-N 3.49Å; S539-F541 WeakPolarHBondContact O-CD2 3.15Å; S539-F541 VanDerWaalsContact O-CE2 3.29Å; S539-F541 WeakPolarHBondContact O-CE2 3.11Å
540	I	37.4	Very low	43.4	Very low	47 Å²	47	67.9 Å²	67.9	24%	0.241	33%	0.333	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89	128.1	175.3	-64.2	173.3	0	0	0	107.5	F484 Y511 T512 S538	F484-I540 HydrophobicContact CD1-CD1 4.29Å; F484-I540 HydrophobicContact CE1-CD1 4.23Å; F484-I540 HydrophobicContact CE1-CG2 4.01Å; Y511-I540 HydrophobicContact CD2-CD1 3.89Å; Y511-I540 HydrophobicContact CD2-CG1 4.04Å; Y511-I540 HydrophobicContact CD2-CG2 4.32Å; Y511-I540 HydrophobicContact CE2-CD1 4.3Å; Y511-I540 HydrophobicContact CG-CD1 4.39Å; Y511-I540 HydrophobicContact CG-CG2 4.45Å; T512-I540 CarbonylContact O-C 3.53Å; T512-I540 WeakPolarHBondContact O-CA 2.94Å; S538-I540 PolarHBondContact O-N 3.19Å
541	F	41	Very low	45.3	Very low	20 Å²	20	62.5 Å²	62.5	9%	0.088	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.2	-31.7	-168	-77.4	-88.4	0	0	0	114.6	Q204 P205 Y207 T208 T512 Y514 S539	Q204-F541 WeakPolarHBondContact CA-O 3.1Å; P205-F541 WeakPolarHBondContact CD-O 3.29Å; P205-F541 HydrophobicContact CG-CB 4.42Å; P205-F541 HydrophobicContact CG-CD1 3.23Å; P205-F541 HydrophobicContact CG-CE1 3.73Å; P205-F541 HydrophobicContact CG-CG 4.23Å; Y207-F541 HydrophobicContact CE1-CE1 4.29Å; Y207-F541 AromaticContact CZ-CE1 3.79Å; Y207-F541 WeakPolarHBondContact OH-CE1 3.08Å; T208-F541 HydrophobicContact CG2-CD1 4.08Å; T512-F541 PolarHBondContact O-N 3Å; Y514-F541 HydrophobicContact CD1-CD2 4.46Å; Y514-F541 HydrophobicContact CD1-CE2 4.32Å; Y514-F541 HydrophobicContact CD2-CB 4.03Å; Y514-F541 AromaticContact CD2-CD2 2.95Å; Y514-F541 HydrophobicContact CD2-CD2 2.95Å; Y514-F541 AromaticContact CD2-CE2 3.5Å; Y514-F541 HydrophobicContact CD2-CE2 3.5Å; Y514-F541 AromaticContact CD2-CG 3.68Å; Y514-F541 HydrophobicContact CD2-CG 3.68Å; Y514-F541 HydrophobicContact CE2-CB 3.57Å; Y514-F541 HydrophobicContact CE2-CD1 4.47Å; Y514-F541 AromaticContact CE2-CD2 3.32Å; Y514-F541 HydrophobicContact CE2-CD2 3.32Å; Y514-F541 HydrophobicContact CE2-CE2 4.07Å; Y514-F541 AromaticContact CE2-CG 3.51Å; Y514-F541 HydrophobicContact CE2-CG 3.51Å; Y514-F541 AromaticContact CG-CD2 3.57Å; Y514-F541 HydrophobicContact CG-CD2 3.57Å; Y514-F541 AromaticContact CG-CE2 3.58Å; Y514-F541 HydrophobicContact CG-CE2 3.58Å; S539-F541 WeakPolarHBondContact O-CD2 3.15Å; S539-F541 VanDerWaalsContact O-CE2 3.29Å; S539-F541 WeakPolarHBondContact O-CE2 3.11Å
542	T	42.7	Very low	47.8	Very low	17 Å²	17	61.1 Å²	61.1	10%	0.104	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.5	146.1	178	42.1	0	0	0	0	109.7	A203 Q204 Y511 T512	A203-T542 WeakPolarHBondContact O-CA 3.14Å; Q204-T542 HydrophobicContact CB-CG2 4.02Å; Q204-T542 HydrophobicContact CG-CG2 3.73Å; Y511-T542 WeakPolarHBondContact CA-O 3.1Å; T512-T542 PolarHBondContact N-O 2.6Å; T512-T542 PolarHBondContact OG1-N 3.03Å; T512-T542 PolarHBondContact OG1-O 3.16Å; T512-T542 PolarHBondContact OG1-OG1 3.01Å
543	Y	52.2	Low	50.5	Low	8 Å²	8	57.3 Å²	57.3	3%	0.031	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.6	134.6	173.6	40.3	-98.3	0	0	0	111.8	V202 A203 M310 Y480 F484 D510	V202-Y543 VanDerWaalsContact CA-O 3.22Å; V202-Y543 WeakPolarHBondContact CA-O 3Å; V202-Y543 WeakPolarHBondContact CG2-O 3.46Å; A203-Y543 HydrophobicContact CB-CD1 4.48Å; A203-Y543 HydrophobicContact CB-CD2 4.25Å; A203-Y543 HydrophobicContact CB-CE1 3.62Å; A203-Y543 HydrophobicContact CB-CE2 3.27Å; A203-Y543 WeakPolarHBondContact CB-OH 2.95Å; M310-Y543 HydrophobicContact CE-CD1 4.13Å; M310-Y543 HydrophobicContact CE-CE1 3.54Å; Y480-Y543 HydrophobicContact CD1-CD2 4.08Å; Y480-Y543 AromaticContact CD1-CE2 3.15Å; Y480-Y543 HydrophobicContact CD1-CE2 3.15Å; Y480-Y543 AromaticContact CD1-CZ 3.52Å; Y480-Y543 VanDerWaalsContact CD1-OH 3.29Å; Y480-Y543 WeakPolarHBondContact CD1-OH 3.15Å; Y480-Y543 AromaticContact CE1-CD2 3.94Å; Y480-Y543 HydrophobicContact CE1-CD2 3.94Å; Y480-Y543 AromaticContact CE1-CE2 3.34Å; Y480-Y543 HydrophobicContact CE1-CE2 3.34Å; Y480-Y543 HydrophobicContact CG-CE2 4.22Å; F484-Y543 HydrophobicContact CD2-CE1 4.25Å; F484-Y543 HydrophobicContact CE1-CD1 4Å; F484-Y543 HydrophobicContact CE1-CE1 4.33Å; F484-Y543 AromaticContact CE2-CD1 3.46Å; F484-Y543 HydrophobicContact CE2-CD1 3.46Å; F484-Y543 VanDerWaalsContact CE2-CD1 3.46Å; F484-Y543 AromaticContact CE2-CD2 3.88Å; F484-Y543 HydrophobicContact CE2-CD2 3.88Å; F484-Y543 AromaticContact CE2-CE1 3.36Å; F484-Y543 HydrophobicContact CE2-CE1 3.36Å; F484-Y543 AromaticContact CE2-CE2 3.83Å; F484-Y543 HydrophobicContact CE2-CE2 3.83Å; F484-Y543 AromaticContact CE2-CG 3.64Å; F484-Y543 HydrophobicContact CE2-CG 3.64Å; F484-Y543 AromaticContact CE2-CZ 3.49Å; F484-Y543 VanDerWaalsContact CE2-CZ 3.49Å; F484-Y543 AromaticContact CZ-CD1 3.08Å; F484-Y543 HydrophobicContact CZ-CD1 3.08Å; F484-Y543 HydrophobicContact CZ-CD2 4.07Å; F484-Y543 AromaticContact CZ-CE1 3.45Å; F484-Y543 HydrophobicContact CZ-CE1 3.45Å; F484-Y543 VanDerWaalsContact CZ-CE1 3.45Å; F484-Y543 HydrophobicContact CZ-CE2 4.39Å; F484-Y543 AromaticContact CZ-CG 3.35Å; F484-Y543 HydrophobicContact CZ-CG 3.35Å; D510-Y543 WeakPolarHBondContact O-CA 3.2Å; D510-Y543 WeakPolarHBondContact O-CB 2.73Å
544	A	47.6	Very low	53.3	Low	6 Å²	6	51.1 Å²	51.1	5%	0.05	25%	0.253	C	S	.	.			trans	-162.1	138.5	151	0	0	0	0	0	106.5	P200 V202 W318 D510	P200-A544 HydrophobicContact CB-CB 4.03Å; P200-A544 HydrophobicContact CG-CB 4.05Å; V202-A544 HydrophobicContact CG2-CB 3.62Å; W318-A544 HydrophobicContact CD2-CB 3.72Å; W318-A544 HydrophobicContact CE3-CB 3.42Å; W318-A544 VanDerWaalsContact CE3-CB 3.42Å; W318-A544 HydrophobicContact CH2-CB 3.16Å; W318-A544 WeakPolarHBondContact CH2-O 3.43Å; W318-A544 VanDerWaalsContact CZ2-C 3.44Å; W318-A544 HydrophobicContact CZ2-CB 3.47Å; W318-A544 VanDerWaalsContact CZ2-CB 3.47Å; W318-A544 WeakPolarHBondContact CZ2-O 3.48Å; W318-A544 HydrophobicContact CZ3-CB 3.16Å; D510-A544 WeakPolarHBondContact CB-O 3.18Å; D510-A544 PolarHBondContact O-N 2.68Å
545	G	53.5	Low	56.2	Low	8 Å²	8	51.7 Å²	51.7	8%	0.082	24%	0.244	C	C	.	.			trans	-158.8	167	-180	0	0	0	0	0	108.2	C508	C508-G545 CarbonylContact O-C 3.47Å; C508-G545 WeakPolarHBondContact O-CA 3.27Å
546	G	60.7	Low	59	Low	0 Å²	0	44.4 Å²	44.4	0%	0	22%	0.221	C	C	.	.	S	Bend	trans	116.8	1.4	-179.9	0	0	0	0	0	114.7	H376 C377 C508	H376-G546 CarbonylContact C-O 3.57Å; H376-G546 WeakPolarHBondContact CA-O 3.27Å; C377-G546 PolarHBondContact N-O 2.84Å; C508-G546 PolarHBondContact O-N 2.9Å; C508-G546 VanDerWaalsContact O-N 3.15Å
547	Y	63.5	Low	61.5	Low	13 Å²	13	46.3 Å²	46.3	5%	0.051	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.6	142	162.5	-158.5	-141.1	0	0	0	109.8	W83 Y322 E374 G375 H376 M455 I549	W83-Y547 AromaticContact CH2-CD1 3.88Å; W83-Y547 HydrophobicContact CH2-CD1 3.88Å; W83-Y547 AromaticContact CH2-CD2 3.98Å; W83-Y547 HydrophobicContact CH2-CD2 3.98Å; W83-Y547 HydrophobicContact CH2-CE1 4.07Å; W83-Y547 HydrophobicContact CH2-CE2 4.18Å; W83-Y547 AromaticContact CH2-CG 3.85Å; W83-Y547 HydrophobicContact CH2-CG 3.85Å; W83-Y547 HydrophobicContact CZ2-CD1 4.08Å; W83-Y547 AromaticContact CZ2-CD2 3.88Å; W83-Y547 HydrophobicContact CZ2-CD2 3.88Å; W83-Y547 AromaticContact CZ2-CE1 3.81Å; W83-Y547 HydrophobicContact CZ2-CE1 3.81Å; W83-Y547 AromaticContact CZ2-CE2 3.62Å; W83-Y547 HydrophobicContact CZ2-CE2 3.62Å; W83-Y547 HydrophobicContact CZ2-CG 4.13Å; W83-Y547 AromaticContact CZ2-CZ 3.59Å; Y322-Y547 WeakPolarHBondContact CE2-O 3.18Å; Y322-Y547 VanDerWaalsContact CZ-O 3.28Å; Y322-Y547 PolarHBondContact OH-O 3.39Å; E374-Y547 HydrophobicContact CB-CE2 3.91Å; E374-Y547 HydrophobicContact CG-CE2 4.03Å; E374-Y547 PolarHBondContact OE1-OH 3.06Å; G375-Y547 CarbonylContact O-C 3.44Å; G375-Y547 VanDerWaalsContact O-CA 3.29Å; G375-Y547 WeakPolarHBondContact O-CA 3.34Å; H376-Y547 AromaticContact CE1-CD2 3.51Å; H376-Y547 AromaticContact CE1-CE2 3.41Å; H376-Y547 VanDerWaalsContact CE1-CE2 3.41Å; H376-Y547 WeakPolarHBondContact CE1-CE2 3.45Å; H376-Y547 AromaticContact ND1-CD2 3.87Å; H376-Y547 AromaticContact NE2-CD2 3.97Å; H376-Y547 AromaticContact NE2-CE2 3.61Å; M455-Y547 HydrophobicContact CE-CG 4.21Å; M455-Y547 WeakPolarHBondContact SD-CB 3.33Å; M455-Y547 HydrophobicContact SD-CD2 4.13Å; M455-Y547 HydrophobicContact SD-CG 3.85Å; Y547-I549 HydrophobicContact CD1-CG1 4.36Å; Y547-I549 HydrophobicContact CE1-CD1 3.67Å; Y547-I549 HydrophobicContact CE1-CG1 3.59Å
548	Y	65.4	Low	63.6	Low	9 Å²	9	46.3 Å²	46.3	4%	0.035	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.8	142.9	168.7	-55.4	-82.4	0	0	0	110	Y322 M353 W355 E374 G375 A506 I507 C508	Y322-Y548 WeakPolarHBondContact OH-CA 3.31Å; Y322-Y548 WeakPolarHBondContact OH-CD1 3.22Å; M353-Y548 HydrophobicContact SD-CD2 3.61Å; M353-Y548 HydrophobicContact SD-CE2 3.87Å; M353-Y548 HydrophobicContact SD-CG 4.47Å; W355-Y548 HydrophobicContact CH2-CG 4.38Å; E374-Y548 CarbonylContact C-O 3.6Å; E374-Y548 WeakPolarHBondContact CA-O 3.28Å; G375-Y548 PolarHBondContact N-O 3.48Å; G375-Y548 PolarHBondContact O-N 3.48Å; A506-Y548 HydrophobicContact CB-CD1 4.05Å; A506-Y548 HydrophobicContact CB-CD2 4.17Å; A506-Y548 HydrophobicContact CB-CE1 3.74Å; A506-Y548 HydrophobicContact CB-CE2 3.87Å; A506-Y548 HydrophobicContact CB-CG 4.28Å; I507-Y548 PolarHBondContact O-OH 3.47Å; C508-Y548 PolarHBondContact N-OH 3.11Å
549	I	64	Low	65.2	Low	41 Å²	41	45.9 Å²	45.9	21%	0.21	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.9	123.2	165.9	-60	174	0	0	0	106.5	P324 V325 R373 Y547 Q551	P324-I549 HydrophobicContact CB-CB 4.4Å; P324-I549 HydrophobicContact CB-CG2 4.44Å; V325-I549 PolarHBondContact N-O 2.96Å; R373-I549 WeakPolarHBondContact O-CA 3.24Å; Y547-I549 HydrophobicContact CD1-CG1 4.36Å; Y547-I549 HydrophobicContact CE1-CD1 3.67Å; Y547-I549 HydrophobicContact CE1-CG1 3.59Å; I549-Q551 HydrophobicContact CG2-CG 4.29Å
550	E	69.8	Low	66.7	Low	2 Å²	2	46.1 Å²	46.1	1%	0.009	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.6	140.8	171.4	-164.9	-176.4	147	0	0	109.2	P328 L329 W355 W358 T372 R373	P328-E550 WeakPolarHBondContact CA-OE1 3.13Å; P328-E550 WeakPolarHBondContact CB-OE1 3Å; L329-E550 PolarHBondContact N-OE1 2.79Å; L329-E550 PolarHBondContact N-OE2 3.4Å; W355-E550 HydrophobicContact CH2-CB 4.17Å; W355-E550 HydrophobicContact CZ3-CB 3.88Å; W358-E550 HydrophobicContact CH2-CB 4.06Å; W358-E550 HydrophobicContact CH2-CG 3.7Å; W358-E550 WeakPolarHBondContact CH2-OE1 3.38Å; W358-E550 HydrophobicContact CZ2-CG 4.4Å; W358-E550 VanDerWaalsContact CZ2-OE1 3.29Å; W358-E550 WeakPolarHBondContact CZ2-OE1 3.32Å; T372-E550 CarbonylContact C-O 2.81Å; T372-E550 VanDerWaalsContact CA-O 3.26Å; T372-E550 WeakPolarHBondContact CA-O 3.2Å; R373-E550 HydrophobicContact CG-CB 3.89Å; R373-E550 IonicContact CZ-OE1 2.71Å; R373-E550 IonicContact CZ-OE2 3.42Å; R373-E550 PolarHBondContact N-O 3.16Å; R373-E550 IonicContact NE-OE1 3.18Å; R373-E550 IonicContact NE-OE2 3.31Å; R373-E550 PolarHBondContact NE-OE2 2.77Å; R373-E550 IonicContact NH2-OE1 3.59Å; R373-E550 PolarHBondContact NH2-OE1 3.43Å; R373-E550 IonicContact NH2-OE2 3.57Å; R373-E550 PolarHBondContact NH2-OE2 3.14Å; R373-E550 PolarHBondContact O-N 2.83Å
551	Q	73.8	Confident	68.3	Low	67 Å²	67	46 Å²	46	31%	0.313	24%	0.239	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.1	138.5	176.6	-63.2	-172.7	-26.3	0	0	109.7	W370 Q371 T372 I549	W370-Q551 HydrophobicContact CE3-CB 4.12Å; W370-Q551 HydrophobicContact CZ3-CB 4.34Å; Q371-Q551 WeakPolarHBondContact O-CA 3.46Å; T372-Q551 HydrophobicContact CG2-CG 3.87Å; I549-Q551 HydrophobicContact CG2-CG 4.29Å
552	R	81.5	Confident	69.9	Low	84 Å²	84	47.5 Å²	47.5	32%	0.317	25%	0.248	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.8	154.1	171.6	73.3	-179.9	-176.7	-178.2	2.4	111.8	E330 W358 W370 Q371	E330-R552 IonicContact OE1-NH1 2.53Å; E330-R552 PolarHBondContact OE1-NH1 3.08Å; W358-R552 HydrophobicContact CE3-CG 4.14Å; W358-R552 HydrophobicContact CH2-CB 3.97Å; W358-R552 HydrophobicContact CH2-CG 3.66Å; W358-R552 HydrophobicContact CZ2-CG 4.16Å; W358-R552 HydrophobicContact CZ3-CB 4.25Å; W358-R552 HydrophobicContact CZ3-CG 3.67Å; W370-R552 WeakPolarHBondContact CA-O 3.42Å; Q371-R552 HydrophobicContact CB-CG 4.39Å; Q371-R552 PolarHBondContact N-O 3.07Å; Q371-R552 PolarHBondContact O-N 3.06Å
553	Q	88.5	Confident	71.6	Confident	112 Å²	112	49.4 Å²	49.4	52%	0.523	26%	0.257	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.5	143.4	171.8	-67.4	175.7	-11	0	0	110.2	M368 G369 W370	M368-Q553 HydrophobicContact CE-CG 4.2Å; M368-Q553 HydrophobicContact CG-CB 4.07Å; M368-Q553 HydrophobicContact CG-CG 4.2Å; M368-Q553 HydrophobicContact SD-CB 3.91Å; M368-Q553 HydrophobicContact SD-CG 3.67Å; M368-Q553 PolarHBondContact SD-OE1 3.3Å; G369-Q553 WeakPolarHBondContact O-CA 3.5Å; W370-Q553 HydrophobicContact CE3-CG 4.32Å; W370-Q553 HydrophobicContact CH2-CG 3.75Å; W370-Q553 HydrophobicContact CZ2-CG 4.05Å; W370-Q553 HydrophobicContact CZ3-CG 3.9Å
554	C	88.1	Confident	72.9	Confident	12 Å²	12	52.2 Å²	52.2	8%	0.081	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.9	164.6	-178.8	62.6	0	0	0	0	111.3	C361 G369 W370 Q371	C361-C554 WeakPolarHBondContact CA-SG 3.11Å; C361-C554 HydrophobicContact CB-CB 3.87Å; C361-C554 WeakPolarHBondContact CB-SG 3.4Å; C361-C554 WeakPolarHBondContact SG-CB 3.28Å; C361-C554 PolarHBondContact SG-O 2.81Å; C361-C554 CovalentContact SG-SG 2.02Å; C361-C554 PolarHBondContact SG-SG 2.85Å; G369-C554 PolarHBondContact N-O 3.16Å; G369-C554 PolarHBondContact O-N 3.36Å; G369-C554 PolarHBondContact O-SG 2.7Å; W370-C554 PolarHBondContact N-SG 3.48Å; W370-C554 VanDerWaalsContact N-SG 3.4Å; Q371-C554 HydrophobicContact CG-CB 3.86Å
555	Y	89.6	Confident	74.8	Confident	125 Å²	125	55.5 Å²	55.5	49%	0.49	29%	0.287	S	S	.	.			trans	-137.2	111.5	171.4	-68.2	-83.8	0	0	0	107.9	K365 Y367 M368	K365-Y555 HydrophobicContact CG-CD1 4.08Å; K365-Y555 HydrophobicContact CG-CG 4.3Å; Y367-Y555 WeakPolarHBondContact O-CD1 3.12Å; M368-Y555 HydrophobicContact CB-CE1 3.76Å; M368-Y555 HydrophobicContact CG-CE1 4.27Å; M368-Y555 HydrophobicContact CG-CE2 4.28Å
556	A	87.6	Confident	76.4	Confident	27 Å²	27	59.2 Å²	59.2	22%	0.223	30%	0.303	C	S	.	.	B	Isolated β-bridge	trans	-87.5	141.5	173.1	0	0	0	0	0	111.5	C361 A363 C364 K365	C361-A556 HydrophobicContact CB-CB 3.68Å; A363-A556 PolarHBondContact O-N 2.69Å; C364-A556 WeakPolarHBondContact CA-O 3.23Å; K365-A556 PolarHBondContact N-O 2.92Å
557	D	84.2	Confident	77.7	Confident	130 Å²	130	64.1 Å²	64.1	70%	0.695	33%	0.329	S	S	*	.			trans	-83.3	110.2	162	-66.9	-45.9	0	0	0	107.3	K365	K365-D557 VanDerWaalsContact CD-OD1 3.32Å; K365-D557 WeakPolarHBondContact CD-OD1 2.96Å; K365-D557 WeakPolarHBondContact CE-OD1 2.98Å; K365-D557 VanDerWaalsContact NZ-CG 3.29Å; K365-D557 IonicContact NZ-OD1 3.1Å; K365-D557 PolarHBondContact NZ-OD1 2.95Å; K365-D557 IonicContact NZ-OD2 2.68Å; K365-D557 PolarHBondContact NZ-OD2 2.82Å; K365-D557 VanDerWaalsContact NZ-OD2 3.1Å
558	C	76.4	Confident	79	Confident	147 Å²	147	68.7 Å²	68.7	99%	0.993	35%	0.354	S	S	*	.			trans	-106.7	0	167	-48.8	0	0	0	0	105.8	C364	C364-C558 HydrophobicContact CB-CB 3.7Å; C364-C558 WeakPolarHBondContact CB-SG 3.42Å; C364-C558 WeakPolarHBondContact SG-CB 3.22Å; C364-C558 CovalentContact SG-SG 2.03Å; C364-C558 PolarHBondContact SG-SG 3.32Å

Retrieved 558 of 558 residues in 241 ms (Link to these results)

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